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        "molfile": "\n  Marvin  01132104552D          \n\n 29 31  0  0  0  0            999 V2000\n    2.1516   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1516   -4.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4322   -3.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8578   -2.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8578   -3.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4322   -2.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7194   -4.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7194   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5640   -4.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5640   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2834   -3.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2834   -2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -3.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9962   -4.1184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5870   -4.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4186   -3.4122    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.7156   -4.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5640   -4.9434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1516   -4.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1516   -1.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5640   -1.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7156   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7156   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9962   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2834   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2834   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6000   -2.7192    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1  6  1  0  0  0  0\n  1 21  2  0  0  0  0\n  2  3  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2 20  2  0  0  0  0\n  3  6  2  0  0  0  0\n  3  7  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4 10  1  0  0  0  0\n  5  9  1  0  0  0  0\n  6  8  1  0  0  0  0\n  7 14  2  0  0  0  0\n  8 11  2  0  0  0  0\n  9 12  2  0  0  0  0\n  9 19  1  0  0  0  0\n 10 13  2  0  0  0  0\n 10 22  1  0  0  0  0\n 11 14  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  1  0  0  0  0\n 15 18  2  0  0  0  0\n 22 27  1  0  0  0  0\n 23 28  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 27 28  1  0  0  0  0\nM  CHG  2  17  -1  29   1\nM  END",
        "smiles": "c1ccc(cc1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-].[Na+]",
        "formula": "C20H13N2O5S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "416.3842",
        "optical_activity": "NONE",
        "references": [
          "e553b8e6-8eab-4289-8524-4910996da5a7",
          "437a8c61-94b9-47f6-8853-6898edcae61b"
        ],
        "stereo_centers": 0
      },
      "unii": "S2E15W6FSN"
    }
  ]
}