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          "molfile": "\n  Marvin  01132104152D          \n\n 27 26  0  0  0  0            999 V2000\n    5.4943   -2.7226    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.3109   -2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7474   -3.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7192   -1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3078   -1.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1556   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5609   -0.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4149   -0.5470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8419    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4024    0.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5422    0.9553    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8076    1.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8543   -1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7240   -1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1385   -0.4784    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.1635   -1.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4757   -1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0704   -0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2320   -0.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8237   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0102   -1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6050   -0.5533    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.6018   -1.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8268    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2320    0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0922    0.8556    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.8362    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5 17  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 13  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 24  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  2  0  0  0  0\nM  CHG  5   1  -1  11  -1  15  -1  22  -1  26  -1\nM  END",
          "smiles": "C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
          "formula": "C14H18N3O10",
          "atropisomerism": "No",
          "charge": -5,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a7e95a8d-4fbb-493a-89e1-32d2817ce02f"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "388.3074",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "8b2596b5-0d06-45d2-a40e-bc40e431b886",
      "version": "7",
      "structure": {
        "id": "514d62b9-6477-4969-ac1b-7dbe0d4da675",
        "molfile": "\n  Marvin  01132104142D          \n\n 32 26  0  0  0  0            999 V2000\n    6.3078   -1.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1556   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4757   -1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7192   -1.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5609   -0.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0704   -0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3109   -2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4149   -0.5470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2320   -0.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4943   -2.7226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7474   -3.4613    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8419    0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8543   -1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8237   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8268    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4024    0.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7240   -1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0102   -1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2320    0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5422    0.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8076    1.7127    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.1385   -0.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1635   -1.9247    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.6050   -0.5533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6018   -1.9465    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.0922    0.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8362    1.6005    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.9875   -0.6926    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   11.9875   -0.6926    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   11.9875   -0.6926    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   11.9875   -0.6926    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   11.9875   -0.6926    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n 14 18  1  0  0  0  0\n 15 19  1  0  0  0  0\n 16 20  2  0  0  0  0\n 16 21  1  0  0  0  0\n 17 22  2  0  0  0  0\n 17 23  1  0  0  0  0\n 18 24  2  0  0  0  0\n 18 25  1  0  0  0  0\n 19 26  2  0  0  0  0\n 19 27  1  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  3  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  6  9  1  0  0  0  0\n  7 10  2  0  0  0  0\n  7 11  1  0  0  0  0\n  8 12  1  0  0  0  0\n  8 13  1  0  0  0  0\n  9 14  1  0  0  0  0\n  9 15  1  0  0  0  0\n 12 16  1  0  0  0  0\n 13 17  1  0  0  0  0\nM  CHG  8  11  -1  21  -1  23  -1  25  -1  27  -1  28   1  29   1  30   1\nM  CHG  2  31   1  32   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  5  28  29  30  31  32\nM  SPA   1  1  28\nM  SDI   1  4   11.5675   -1.1126   11.5675   -0.2726\nM  SDI   1  4   12.4075   -0.2726   12.4075   -1.1126\nM  SMT   1 5\nM  END",
        "smiles": "C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]",
        "formula": "C14H18N3O10.5Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "503.2562",
        "optical_activity": "NONE",
        "references": [
          "4726c231-2df1-4791-a386-e9aa17259e34",
          "e3b018e6-13d0-400d-8b2c-bba79756e42f"
        ],
        "stereo_centers": 0
      },
      "unii": "961TOZ5L7T"
    }
  ]
}