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        "molfile": "\n  Marvin  01132105362D          \n\n 25 26  0  0  0  0            999 V2000\n   17.8727   -6.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6406   -6.5318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6406   -5.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.6406   -7.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4084   -6.5318    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   17.5498   -7.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9327   -6.3235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1076   -6.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.6227   -5.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8023   -5.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3172   -5.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6528   -4.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4734   -4.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9583   -4.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8528   -7.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5201   -7.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5201   -8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8057   -8.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8057   -9.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5201  -10.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2346   -9.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2346   -8.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1876   -7.1081    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   15.9722   -7.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4176   -5.6560    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  2  0  0  0  0\n  2  4  2  0  0  0  0\n  2  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  2  0  0  0  0\n  9 14  1  0  0  0  0\n  8 15  2  0  0  0  0\n 16 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  2  0  0  0  0\n 17 22  1  0  0  0  0\n 23 16  2  0  0  0  0\n  7 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n  7 25  1  0  0  0  0\nM  CHG  2   5  -1  23   1\nM  END",
        "smiles": "C[n+]1c(cc(-c2ccccc2)n1C)-c3ccccc3.COS(=O)(=O)[O-]",
        "formula": "C17H17N2.CH3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "360.4292",
        "optical_activity": "NONE",
        "references": [
          "d65d3613-f9c6-4210-b35c-0078e18f78fa",
          "02e46ff1-3366-4a5e-8430-78c3951cfd26"
        ],
        "stereo_centers": 0
      },
      "unii": "6Y5I03RK7C"
    }
  ]
}