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          "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": {
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            "units": "MOL RATIO",
            "uuid": "85759d4e-85cd-4a4b-beec-9545c440014f"
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          "molfile": "\n  Marvin  01132105522D          \n\n 21 22  0  0  0  0            999 V2000\n   -1.7388   -2.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0274   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0274   -3.8399    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0\n   -0.3158   -4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2275   -5.0733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5788   -5.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9915   -4.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8121   -4.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2957   -5.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1132   -5.0254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4477   -4.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9641   -3.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5997   -5.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4202   -5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4400   -3.9183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7388   -4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4532   -3.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1676   -4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1676   -5.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4532   -5.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7388   -5.0780    0.0000 C   0  0  0  0  0  0  0  0  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  3 16  1  0  0  0  0\n  5  4  2  0  0  0  0\n  4 15  1  0  0  0  0\n  6  5  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n 15  7  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 13  1  0  0  0  0\n 11 12  1  0  0  0  0\n 13 14  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 21  2  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  2  0  0  0  0\n 21 20  1  0  0  0  0\nM  END",
          "smiles": "CCC(c1ccccc1)c2nc(CCN(CC)CC)on2",
          "formula": "C17H25N3O",
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          "stereochemistry": "RACEMIC",
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      "definition_level": "COMPLETE",
      "uuid": "8275ae50-6088-4748-a39a-177d1fd97daf",
      "version": "11",
      "structure": {
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        "molfile": "\n  Marvin  01132107422D          \n\n 34 34  0  0  0  0            999 V2000\n    7.5128   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8022   -4.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2233   -4.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5040   -4.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9367   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0918   -3.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7877   -5.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9251   -3.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0830   -3.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5040   -3.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2204   -5.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3812   -4.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6472   -4.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5799   -5.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2280   -5.0829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3164   -4.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4409   -3.9258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9934   -4.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0293   -3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0293   -3.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7421   -2.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7421   -4.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7421   -5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4579   -5.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1737   -5.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1737   -4.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4579   -3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8156   -4.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3000   -5.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1192   -5.0350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4542   -4.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9698   -3.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6065   -5.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4287   -5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  3  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  4  2  0  0  0  0\n  8  5  2  0  0  0  0\n  9  6  2  0  0  0  0\n 10  1  1  0  0  0  0\n 11  4  1  0  0  0  0\n 12  6  1  0  0  0  0\n 13  5  1  0  0  0  0\n  2  1  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 14 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 22 27  2  0  0  0  0\n 19 22  1  0  0  0  0\n 16 19  1  0  0  0  0\n 28 29  1  0  0  0  0\n 31 32  1  0  0  0  0\n 30 31  1  0  0  0  0\n 33 34  1  0  0  0  0\n 30 33  1  0  0  0  0\n 29 30  1  0  0  0  0\n 18 28  1  0  0  0  0\nM  END",
        "smiles": "CCC(c1ccccc1)c2nc(CCN(CC)CC)on2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O",
        "formula": "C17H25N3O.C6H8O7",
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        "stereochemistry": "RACEMIC",
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        "molecular_weight": "479.5243",
        "optical_activity": "( + / - )",
        "references": [
          "4462aaa8-b764-4716-b38f-f42977c68da5",
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      "unii": "YR02IKM54O"
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}