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          "molfile": "\n  Marvin  01132110042D          \n\n 35 34  0  0  0  0            999 V2000\n   21.1032  -11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3063  -11.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7230  -11.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9261  -11.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3426  -12.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5457  -11.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9623  -12.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1654  -12.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5821  -12.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7851  -12.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2018  -13.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4049  -12.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8215  -13.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0246  -13.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4412  -13.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6443  -13.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0610  -14.2371    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    9.3653  -14.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1705  -13.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6443  -14.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4412  -14.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0246  -15.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8215  -14.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4049  -15.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2018  -15.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7851  -15.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5821  -15.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1654  -16.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9623  -16.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5457  -16.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3426  -16.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9261  -17.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7230  -16.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3063  -17.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1032  -17.1959    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  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  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 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  1  0  0  0  0\n 17 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\nM  CHG  1  17   1\nM  END",
          "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC",
          "formula": "C34H72N",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "RACEMIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "3759c26b-41d1-4fba-86bf-57134a6bcb52"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "494.9435",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "e6769c2a-7135-4fe0-a094-18b9892bdab5",
      "version": "6",
      "structure": {
        "id": "4e8991c1-4478-464e-961d-e5ca4b5ba5f2",
        "molfile": "\n  Marvin  01132104062D          \n\n 36 34  0  0  0  0            999 V2000\n   18.3985  -14.1887    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n   10.0610  -14.2371    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    9.3653  -14.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1705  -13.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6443  -13.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4412  -13.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0246  -13.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8215  -13.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4049  -12.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2018  -13.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7851  -12.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5821  -12.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1654  -12.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9623  -12.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5457  -11.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3426  -12.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9261  -11.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7230  -11.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3063  -11.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1032  -11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6443  -14.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4412  -14.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0246  -15.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8215  -14.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4049  -15.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2018  -15.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7851  -15.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5821  -15.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1654  -16.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9623  -16.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5457  -16.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3426  -16.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9261  -17.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7230  -16.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3063  -17.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1032  -17.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  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  1  0  0  0  0\n 13 14  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  1  0  0  0  0\n 19 20  1  0  0  0  0\n  2 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Cl-]",
        "formula": "C34H72N.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "530.3964",
        "optical_activity": "NONE",
        "references": [
          "d9b78c73-643a-4dfb-a676-4e2d90aabe4d",
          "0f551bf9-66b0-43ce-b031-07681be8851e"
        ],
        "stereo_centers": 0
      },
      "unii": "6F4SX2007N"
    }
  ]
}