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          "molfile": "\n  Marvin  01132104222D          \n\n 21 24  0  0  0  0            999 V2000\n   -1.0608   -4.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7872   -3.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0074   -3.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6627   -3.9153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3146   -3.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1390   -3.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6980   -2.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4267   -2.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9920   -1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6130   -2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0527   -2.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2206   -2.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2861   -2.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0449   -1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0611   -2.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6418   -1.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4631   -1.7831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0253   -1.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7129   -2.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1577   -3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3364   -2.9948    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  1  0  0  0  0\n  2 21  2  0  0  0  0\n  4  3  2  0  0  0  0\n  3 12  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  5 11  2  0  0  0  0\n  7  6  2  0  0  0  0\n  7  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n  8 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 13 12  2  0  0  0  0\n 14 13  1  0  0  0  0\n 15 13  1  0  0  0  0\n 16 15  2  0  0  0  0\n 21 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 17  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\nM  END",
          "smiles": "Cc1c2cn(C)ccc2c(C)c3c1c4cc(ccc4n3)O",
          "formula": "C18H16N2O",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "14c06a89-86ee-4a01-90fe-b8756df4936a"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "276.3331",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "9788fa66-53e6-4498-a350-1947d7375f36",
      "version": "12",
      "structure": {
        "id": "6d9d30a2-7204-4ad2-af00-7f320d0f1465",
        "molfile": "\n  Marvin  01132105422D          \n\n 25 27  0  0  0  0            999 V2000\n    0.2221   -2.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0075   -3.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6673   -3.9423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0600   -2.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2881   -2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0684   -2.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3456   -3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7926   -3.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3237   -3.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4801   -1.7954    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -1.6531   -1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1726   -3.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6241   -2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7316   -2.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1537   -3.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4434   -2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0452   -1.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7166   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0461   -1.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0681   -4.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0126   -1.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6432   -0.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8732   -1.2049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.2219    0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8498   -0.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 10 11  2  0  0  0  0\n 11  6  1  0  0  0  0\n 12  7  1  0  0  0  0\n 13  4  1  0  0  0  0\n 14 12  2  0  0  0  0\n 15  9  1  0  0  0  0\n 16 13  2  0  0  0  0\n 17  5  1  0  0  0  0\n 18 16  1  0  0  0  0\n 19 10  1  0  0  0  0\n 20  8  1  0  0  0  0\n 21 16  1  0  0  0  0\n  9  3  1  0  0  0  0\n  8  7  2  0  0  0  0\n 18 15  2  0  0  0  0\n 14 10  1  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  5  2  0  0  0  0\n  7  6  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  4  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 22  2  0  0  0  0\n 25 22  1  0  0  0  0\nM  CHG  2  10   1  23  -1\nM  END",
        "smiles": "Cc1c2c[n+](C)ccc2c(C)c3c1c4cc(ccc4[nH]3)O.CC(=O)[O-]",
        "formula": "C18H17N2O.C2H3O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "336.3852",
        "optical_activity": "NONE",
        "references": [
          "a7f3905b-dc69-433b-a8c7-28d92fd6bd64",
          "639a0b43-95f0-4c55-819e-a801465f6a5d",
          "39d8d89e-f8c8-4be3-a82a-3308c1a613fa"
        ],
        "stereo_centers": 0
      },
      "unii": "H9B41234P4"
    }
  ]
}