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0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n 19 18  2  0  0  0  0\n 20 19  1  0  0  0  0\n 64 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 59  2  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 25 24  1  0  0  0  0\n 58 24  2  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 27 53  2  0  0  0  0\n 28 29  2  0  0  0  0\n 29 30  1  0  0  0  0\n 31 30  1  0  0  0  0\n 52 30  2  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 32 44  2  0  0  0  0\n 33 34  2  0  0  0  0\n 35 34  1  0  0  0  0\n 34 42  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 36 41  2  0  0  0  0\n 37 38  2  0  0  0  0\n 38 39  1  0  0  0  0\n 40 39  2  0  0  0  0\n 41 40  1  0  0  0  0\n 43 42  2  0  0  0  0\n 44 43  1  0  0  0  0\n 45 43  1  0  0  0  0\n 45 46  1  0  0  0  0\n 45 49  1  0  0  0  0\n 46 47  1  0  0  0  0\n 47 48  1  0  0  0  0\n 49 50  1  0  0  0  0\n 50 51  1  0  0  0  0\n 53 52  1  0  0  0  0\n 54 53  1  0  0  0  0\n 54 55  1  0  0  0  0\n 54 56  2  0  0  0  0\n 54 57  2  0  0  0  0\n 59 58  1  0  0  0  0\n 60 58  1  0  0  0  0\n 60 61  1  0  0  0  0\n 60 62  2  0  0  0  0\n 60 63  2  0  0  0  0\nM  CHG  2  48  -1  51  -1\nM  END",
          "smiles": "c1ccc(cc1)Nc2nc(Nc3ccc(/C=C/c4ccc(cc4S(=O)(=O)O)Nc5nc(Nc6ccccc6)nc(n5)N(CC[O-])CC[O-])c(c3)S(=O)(=O)O)nc(n2)N(CCO)CCO",
          "formula": "C40H42N12O10S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "56e92793-13ae-4736-93c9-84bacc6cc3fd"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "914.9696",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "a52badaf-0cf7-44d4-bce5-d72f83a6779b",
      "version": "5",
      "structure": {
        "id": "810dc576-25dd-40c7-9c2c-07fc9b166aa9",
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 0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 15 14  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  2  0  0  0  0\n 15 18  1  0  0  0  0\n 14 19  2  0  0  0  0\n 20 19  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  2  0  0  0  0\n 24 27  1  0  0  0  0\n 23 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 30 29  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  2  0  0  0  0\n 34 33  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 34 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 33 41  1  0  0  0  0\n 42 41  2  0  0  0  0\n 43 42  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  2  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  2  0  0  0  0\n 48 47  1  0  0  0  0\n 49 48  2  0  0  0  0\n 44 49  1  0  0  0  0\n 50 42  1  0  0  0  0\n 31 50  2  0  0  0  0\n 51 29  1  0  0  0  0\n 52 51  2  0  0  0  0\n 22 52  1  0  0  0  0\n 53 19  1  0  0  0  0\n 54 53  2  0  0  0  0\n 12 54  1  0  0  0  0\n 10 55  1  0  0  0  0\n 56 55  2  0  0  0  0\n 57 56  1  0  0  0  0\n 57 58  1  0  0  0  0\n 58 59  2  0  0  0  0\n 59 60  1  0  0  0  0\n 60 61  2  0  0  0  0\n 62 61  1  0  0  0  0\n 63 62  2  0  0  0  0\n 58 63  1  0  0  0  0\n 64 56  1  0  0  0  0\n  8 64  2  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  4  18  -1  27  -1  65   1  66   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  65  66\nM  SPA   1  1  65\nM  SDI   1  4    5.7990   -8.6633    5.7990   -7.8233\nM  SDI   1  4    6.6390   -7.8233    6.6390   -8.6633\nM  SMT   1 2\nM  END",
        "smiles": "c1ccc(cc1)Nc2nc(Nc3ccc(/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(Nc6ccccc6)nc(n5)N(CCO)CCO)c(c3)S(=O)(=O)[O-])nc(n2)N(CCO)CCO.[Na+].[Na+]",
        "formula": "C40H42N12O10S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "960.9491",
        "optical_activity": "NONE",
        "references": [
          "a4b89ee9-2f1c-451b-abfe-00d1d64471e8",
          "c3cdfeb7-e76b-4322-a6b8-3ead59a3e44a"
        ],
        "stereo_centers": 0
      },
      "unii": "11V30J47QK"
    }
  ]
}