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      "structure": {
        "id": "1832aeec-8446-4109-b740-afa07aa5e13f",
        "molfile": "\n  Marvin  01132101272D          \n\n 34 36  0  0  0  0            999 V2000\n   11.0261   -5.3647    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3067   -5.7770    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.6137   -4.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4384   -6.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7407   -4.9524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4279   -4.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9841   -5.5938    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.3144   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3144   -4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0416   -3.9425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7452   -4.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7452   -5.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4928   -6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2741   -6.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5593   -5.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8447   -6.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1254   -5.5985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4154   -6.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7006   -5.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9815   -6.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2714   -5.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2714   -4.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5521   -4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5521   -3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2714   -3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9815   -3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9815   -4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7006   -4.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4154   -4.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5521   -6.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9815   -6.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2714   -7.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7006   -7.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4154   -6.8353    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  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  5  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12  7  1  0  0  0  0\n 13  7  1  0  0  0  0\n 14  7  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  2  0  0  0  0\n 25 24  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 19  1  0  0  0  0\n 29 28  2  0  0  0  0\n 27 22  2  0  0  0  0\n 30 21  2  0  0  0  0\n 31 20  2  0  0  0  0\n 32 31  1  0  0  0  0\n 31 33  1  0  0  0  0\n 33 34  2  0  0  0  0\n 34 18  1  0  0  0  0\nM  CHG  2   2  -1   7   1\nM  END",
        "smiles": "C[N+]1(CCCNc2ccc(c3c2C(=O)c4ccccc4C3=O)O)CCOCC1.COS(=O)(=O)[O-]",
        "formula": "C22H25N2O4.CH3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "492.544",
        "optical_activity": "NONE",
        "references": [
          "f5f39543-75bb-497a-9dee-bd0af0586bb4",
          "d6fb89a5-2302-4aac-94ac-b2f0210b8db0"
        ],
        "stereo_centers": 0
      },
      "unii": "RNJ1LHE5O7"
    }
  ]
}