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          "smiles": "C1CCN(CC1)CCOCCOC(=O)N2c3ccccc3Sc4cccnc42",
          "formula": "C21H25N3O3S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "5afb5936-4a17-4edd-86e7-9aac58dfc8ae"
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          "molecular_weight": "399.5084",
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      "definition_level": "COMPLETE",
      "uuid": "c03b8f7c-4317-41f6-8149-ae11d07c7c40",
      "version": "10",
      "structure": {
        "id": "db8eb807-d1ff-49fc-b1e4-86cb5f63b10d",
        "molfile": "\n  Marvin  01132111232D          \n\n 28 31  0  0  0  0            999 V2000\n   -2.7627    1.8418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0672    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7627    1.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7627    3.4821    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4917    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0672    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4917    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3526    1.8418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2495    0.6475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4917    0.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0672    0.5995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2015    1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3526    3.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2015    3.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5301    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9689    0.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2207    1.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0768    0.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6427    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3621    0.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7818    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6427    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6427    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9162    2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9353    1.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6884    0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9162    3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6884    1.4916    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  1  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  2  2  0  0  0  0\n  7  5  2  0  0  0  0\n  8  2  1  0  0  0  0\n  9 15  1  0  0  0  0\n 10  3  2  0  0  0  0\n 11  3  1  0  0  0  0\n 12  5  1  0  0  0  0\n 13  6  1  0  0  0  0\n 14  7  1  0  0  0  0\n 15 21  1  0  0  0  0\n 16  9  1  0  0  0  0\n 17  9  1  0  0  0  0\n 18 22  1  0  0  0  0\n 19  8  2  0  0  0  0\n 20 11  1  0  0  0  0\n 21 18  1  0  0  0  0\n 22 20  1  0  0  0  0\n 23 19  1  0  0  0  0\n 24 12  2  0  0  0  0\n 25 17  1  0  0  0  0\n 26 16  1  0  0  0  0\n 27 24  1  0  0  0  0\n 28 25  1  0  0  0  0\n  6  4  1  0  0  0  0\n 27 14  2  0  0  0  0\n 23 13  2  0  0  0  0\n 28 26  1  0  0  0  0\nM  END",
        "smiles": "C1CCN(CC1)CCOCCOC(=O)N2c3ccccc3Sc4cccnc42",
        "formula": "C21H25N3O3S",
        "atropisomerism": "No",
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        "count": 1,
        "stereochemistry": "ACHIRAL",
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        "molecular_weight": "399.5084",
        "optical_activity": "NONE",
        "references": [
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          "55274b36-08ce-4893-a1a3-81d8999a016c",
          "b8d77db9-9766-42c5-a936-59ba82190c31"
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}