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          "molfile": "\n  Marvin  01132110042D          \n\n 24 26  0  0  0  0            999 V2000\n   -0.1523   -1.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5626   -1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2827   -1.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2827   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0028   -0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6970   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4894   -0.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9514   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4894   -1.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6970   -1.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0028   -1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7876   -1.1278    0.0000 S   0  0  0  0  0  0  0  0  0  3  0  0\n    5.2006   -0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2006   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0187   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4213   -1.1278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2369   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6396   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4887   -1.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2369   -2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6396   -3.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4525   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4213   -2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0187   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  4  3  1  0  0  0  0\n  3 11  2  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6 10  2  0  0  0  0\n  7  8  1  0  0  0  0\n  9  8  2  0  0  0  0\n 12  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 13  2  0  0  0  0\n 14 12  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 23 15  2  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 18 20  2  0  0  0  0\n 21 20  1  0  0  0  0\n 20 23  1  0  0  0  0\n 22 21  1  0  0  0  0\n 24 23  1  0  0  0  0\nM  END",
          "smiles": "Cc1cnc(CS(=O)c2[nH]c3ccc(cc3n2)OC)c(C)c1OC",
          "formula": "C17H19N3O3S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "0732799d-d152-4b0a-a756-d9ba2f9776cf"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "345.4178",
          "optical_activity": "NONE",
          "stereo_centers": 1
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "995cdb75-c8bc-4f34-abdf-b5191819f1ec",
      "version": "27",
      "structure": {
        "id": "9c183bf9-ad37-432e-b0ed-aa9a1a107404",
        "molfile": "\n  Marvin  01132108072D          \n\n 25 26  0  0  0  0            999 V2000\n    3.9514   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4894   -0.4827    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0\n    3.4894   -1.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7876   -1.1278    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0\n    2.6970   -1.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0187   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4213   -2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6970   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2006   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2369   -2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4213   -1.1278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6396   -1.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0028   -1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2369   -1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2006   -0.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0028   -0.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2827   -1.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6396   -3.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2827   -0.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0187   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5626   -1.9563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4887   -1.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4525   -3.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1523   -1.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0894    1.2208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  3  1  0  0  0  0\n  6  9  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  2  1  0  0  0  0\n  9  4  1  0  0  0  0\n 10  7  1  0  0  0  0\n 11  6  1  0  0  0  0\n 12 14  1  0  0  0  0\n 13  5  1  0  0  0  0\n 14 11  2  0  0  0  0\n  4 15  1  0  0  0  0\n 16  8  1  0  0  0  0\n 17 13  2  0  0  0  0\n 18 10  1  0  0  0  0\n 19 16  2  0  0  0  0\n 20  7  1  0  0  0  0\n 21 17  1  0  0  0  0\n 22 12  1  0  0  0  0\n 23 18  1  0  0  0  0\n 24 21  1  0  0  0  0\n  8  5  2  0  0  0  0\n 19 17  1  0  0  0  0\n 12 10  2  0  0  0  0\nM  CHG  4   2  -1   4   1  15  -1  25   1\nM  END",
        "smiles": "Cc1cnc(C[S+](c2[n-]c3ccc(cc3n2)OC)[O-])c(C)c1OC.[Na+]",
        "formula": "C17H18N3O3S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "367.3996",
        "optical_activity": "( + / - )",
        "references": [
          "8e13813a-bbfd-47aa-b64d-95418ef7a553",
          "5585079c-fcd0-477c-8cbb-8ded663cde0f"
        ],
        "stereo_centers": 1
      },
      "unii": "KV03YZ6QLW"
    }
  ]
}