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        "molfile": "\n  Marvin  01132106102D          \n\n 26 27  0  0  0  0            999 V2000\n   11.2946   -3.5982    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   12.0483   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6003   -3.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4207   -3.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9056   -4.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7262   -4.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2111   -5.0381    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9813   -4.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5609   -4.0365    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7728   -3.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3794   -4.1051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7351   -3.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5039   -5.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5728   -5.7796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1878   -4.5901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3807   -4.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2198   -2.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5802   -3.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8656   -3.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1512   -3.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4367   -3.5982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4367   -4.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1512   -4.8356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8656   -4.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7223   -4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1512   -2.3605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11  9  1  0  0  0  0\n 12  9  1  0  0  0  0\n 13  7  2  0  0  0  0\n 14  7  1  0  0  0  0\n  3 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16  1  2  0  0  0  0\n 17  2  1  0  0  0  0\n 18  1  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 19  2  0  0  0  0\n 25 22  1  0  0  0  0\n 26 20  1  0  0  0  0\nM  CHG  1   1   1\nM  END",
        "smiles": "Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1Cc2cnc(C)nc2N",
        "formula": "C12H19N4O7P2S",
        "atropisomerism": "No",
        "charge": 1,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "425.316",
        "optical_activity": "NONE",
        "references": [
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          "286dd42c-fba2-4305-b005-f9f12942bd62",
          "36fd92a3-8dba-4705-8ce7-4e894dbf3930"
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        "stereo_centers": 0
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      "unii": "Q57971654Y",
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      "names": [
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          "name": "COCARBOXYLASE",
          "stdName": "COCARBOXYLASE",
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}