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          "molfile": "\n  Marvin  01132100202D          \n\n  9  8  0  0  1  0            999 V2000\n    8.4247   -4.2045    0.0000 C   0  0  1  0  0  0  0  0  0  2  0  0\n    8.4247   -5.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7083   -3.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9921   -4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2799   -3.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5640   -4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1366   -3.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1366   -2.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8485   -4.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  1  0  0  0\n  1  3  1  0  0  0  0\n  1  7  1  0  0  0  0\n  4  3  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\nM  END",
          "smiles": "C(C[C@@H](C(=O)O)N)CN",
          "formula": "C5H12N2O2",
          "atropisomerism": "No",
          "charge": 0,
          "count": 2,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "b08311c0-620b-4652-89c9-a9220c86cce1"
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          "id": "8b742541-230f-4eb0-9218-20a770e6b060",
          "molfile": "\n  Marvin  01132107152D          \n\n 10  9  0  0  1  0            999 V2000\n    2.1555   -1.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1555   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8986   -3.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4404   -3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7160   -2.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0289   -3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0289   -3.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049   -2.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4247   -3.1312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049   -1.8588    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  5  6  1  0  0  0  0\n  7  6  2  0  0  0  0\n  6  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  8  2  0  0  0  0\nM  END",
          "smiles": "C(CC(=O)O)C(=O)C(=O)O",
          "formula": "C5H6O5",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a74eb4d7-6c48-468a-b70d-7880d7e676a5"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "146.0983",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "f84fc973-50bd-4ccf-a5a7-04d1f922795c",
      "version": "12",
      "structure": {
        "id": "12982902-6565-46a7-9ae3-0a4b99c7fc7d",
        "molfile": "\n  Marvin  01132101112D          \n\n 28 25  0  0  1  0            999 V2000\n    2.1417   -1.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1417   -2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8800   -3.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4312   -3.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7114   -2.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0287   -3.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0287   -3.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7004   -2.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4156   -3.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7004   -1.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4529   -5.0478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4529   -4.2186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.7341   -3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0155   -4.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3009   -3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5826   -4.2186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1672   -3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1672   -2.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8814   -4.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4529   -5.0478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4529   -4.2186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    7.7341   -3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0155   -4.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3009   -3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5826   -4.2186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1672   -3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1672   -2.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8814   -4.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  1  1  0  0  0\n 14 13  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 12 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 19  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  8  2  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  5  6  1  0  0  0  0\n  7  6  2  0  0  0  0\n  6  8  1  0  0  0  0\n 21 20  1  0  0  0  0\n 21 22  1  1  0  0  0\n 21 26  1  0  0  0  0\n 23 22  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 26 27  2  0  0  0  0\n 26 28  1  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15  11  12  13  14  15  16  17  18  19  20  21  22  23  24  25\nM  SAL   1  3  26  27  28\nM  SPA   1  9  11  12  13  14  15  16  17  18  19\nM  SDI   1  4    5.1626   -5.4678    5.1626   -2.5590\nM  SDI   1  4   10.3014   -2.5590   10.3014   -5.4678\nM  SMT   1 2\nM  END",
        "smiles": "C(C[C@@H](C(=O)O)N)CN.C(C[C@@H](C(=O)O)N)CN.C(CC(=O)O)C(=O)C(=O)O",
        "formula": "2C5H12N2O2.C5H6O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "410.4207",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "41947921-6f4a-4a0d-861b-9cb3f28e8c2a",
          "acb97ef4-4894-460c-a17e-591035adba92"
        ],
        "stereo_centers": 2
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      "unii": "URK9D85MYO"
    }
  ]
}