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        "molfile": "\n  Marvin  01132102432D          \n\n 31 33  0  0  0  0            999 V2000\n   13.2270   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9416   -8.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   14.3541   -8.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7221   -7.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9861   -7.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7666   -8.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   15.4810   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4810  -10.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1955   -8.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9099   -9.3375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   17.6244   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6244   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3389   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.0534   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.0534   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7678   -9.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4823   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1967   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.9113   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.9113   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1967   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4823   -8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3389   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9099  -10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9099  -10.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5126   -8.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5126   -8.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   11.7981   -9.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7982  -10.1625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0837   -9.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0837   -8.9250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  1  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  6  3  1  0  0  0  0\n  2  6  1  0  0  0  0\n  6  7  1  1  0  0  0\n  7  8  2  0  0  0  0\n  7  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 15 14  2  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 19 20  1  0  0  0  0\n 21 20  2  0  0  0  0\n 22 21  1  0  0  0  0\n 17 22  2  0  0  0  0\n 23 15  1  0  0  0  0\n 11 23  2  0  0  0  0\n 10 24  1  6  0  0  0\n 24 25  3  0  0  0  0\n  1 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 26 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 28 30  1  0  0  0  0\n 28 31  1  0  0  0  0\nM  END",
        "smiles": "CC1(C)[C@H](/C=C(/C(F)(F)F)\\Cl)[C@@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3",
        "formula": "C23H19ClF3NO3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 3,
        "ez_centers": 1,
        "molecular_weight": "449.8509",
        "optical_activity": "( + / - )",
        "references": [
          "9957e82a-f41f-41b2-9250-d20656bc66df",
          "191b1547-a8ea-488f-bdf9-b48b4aea3d7b"
        ],
        "stereo_centers": 3
      },
      "unii": "Z44TGV333K"
    }
  ]
}