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        "molfile": "\n  Marvin  01132106452D          \n\n 42 43  0  0  0  0            999 V2000\n   -2.7515  -19.9329    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -2.0375  -19.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3235  -19.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6096  -19.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1044  -19.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8184  -19.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5324  -19.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2463  -19.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9603  -19.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6743  -19.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3883  -19.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1023  -19.4986    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.5297  -18.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8061  -18.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0955  -18.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5338  -19.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8199  -19.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8226  -20.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384  -21.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2531  -20.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2469  -19.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1789  -20.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4590  -21.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7485  -20.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1795  -19.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4656  -19.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4652  -18.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1779  -18.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8926  -18.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8896  -19.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3758  -18.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2400  -18.2460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0375  -21.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.8976  -21.1646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0834  -20.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7973  -19.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5113  -20.1333    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.7931  -18.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0834  -20.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7973  -19.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5113  -20.1333    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.7931  -18.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n 28 29  1  0  0  0  0\n 13 14  1  0  0  0  0\n 29 30  2  0  0  0  0\n 30 25  1  0  0  0  0\n  6  7  1  0  0  0  0\n 15 31  1  0  0  0  0\n 14 15  2  0  0  0  0\n 13 32  1  0  0  0  0\n 15 12  1  0  0  0  0\n 24 33  1  0  0  0  0\n 22 34  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16 17  1  0  0  0  0\n  3  4  1  0  0  0  0\n 17 18  1  0  0  0  0\n  8  9  1  0  0  0  0\n 18 19  2  0  0  0  0\n  1  2  1  0  0  0  0\n 19 20  1  0  0  0  0\n  9 10  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 16  1  0  0  0  0\n  1 26  2  0  0  0  0\n  4  5  1  0  0  0  0\n 25 22  2  0  0  0  0\n 10 11  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24  1  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 17  2  0  0  0  0\n 25 26  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 36 38  2  0  0  0  0\n  5  6  1  0  0  0  0\n 26 27  1  0  0  0  0\n 16 13  2  0  0  0  0\n 27 28  2  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 40 42  2  0  0  0  0\nM  CHG  4   1   1  12   1  37  -1  41  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  8  35  36  37  38  39  40  41  42\nM  SPA   1  4  35  36  37  38\nM  SDI   1  4    9.6634  -20.5574    9.6634  -18.4733\nM  SDI   1  4   11.9313  -18.4733   11.9313  -20.5574\nM  SMT   1 2\nM  END",
        "smiles": "Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(c4ccccc43)N)N.CC(=O)[O-].CC(=O)[O-]",
        "formula": "C30H40N4.2C2H3O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "574.7547",
        "optical_activity": "NONE",
        "references": [
          "4291e76e-31f6-42b7-aebc-9e42922da970",
          "a1384197-32c4-4fa5-9c77-b181e4afd459"
        ],
        "stereo_centers": 0
      },
      "unii": "P8W4UX112S"
    }
  ]
}