PC-Compounds ::= {
  {
    id {
      id cid 12184591
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      element {
        s,
        s,
        f,
        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 14,
          value 1
        },
        {
          aid 15,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        13,
        13,
        13,
        14,
        14,
        14,
        16,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        24,
        24,
        25,
        25,
        25,
        26,
        27,
        27,
        27
      },
      aid2 {
        9,
        10,
        15,
        28,
        11,
        12,
        15,
        29,
        28,
        28,
        28,
        29,
        29,
        29,
        20,
        23,
        24,
        23,
        26,
        27,
        17,
        18,
        30,
        31,
        19,
        32,
        33,
        20,
        34,
        35,
        21,
        36,
        37,
        38,
        39,
        22,
        40,
        41,
        25,
        42,
        43,
        44,
        26,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      order {
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52
        },
        conformers {
          {
            x {
              { 110545, 10, -4 },
              { 93225, 10, -4 },
              { 127866, 10, -4 },
              { 114205, 10, -4 },
              { 124205, 10, -4 },
              { 75904, 10, -4 },
              { 79564, 10, -4 },
              { 89564, 10, -4 },
              { 105545, 10, -4 },
              { 115545, 10, -4 },
              { 88225, 10, -4 },
              { 98225, 10, -4 },
              { 4001, 10, -3 },
              { 4501, 10, -3 },
              { 101885, 10, -4 },
              { 3135, 10, -3 },
              { 2269, 10, -3 },
              { 3135, 10, -3 },
              { 2269, 10, -3 },
              { 4001, 10, -3 },
              { 1403, 10, -3 },
              { 1403, 10, -3 },
              { 48101, 10, -4 },
              { 3192, 10, -3 },
              { 5369, 10, -4 },
              { 3501, 10, -3 },
              { 50888, 10, -4 },
              { 119205, 10, -4 },
              { 84564, 10, -4 },
              { 33471, 10, -4 },
              { 37456, 10, -4 },
              { 20569, 10, -4 },
              { 16584, 10, -4 },
              { 2923, 10, -3 },
              { 25244, 10, -4 },
              { 2481, 10, -3 },
              { 28796, 10, -4 },
              { 42131, 10, -4 },
              { 46116, 10, -4 },
              { 11909, 10, -4 },
              { 7924, 10, -4 },
              { 1615, 10, -3 },
              { 20135, 10, -4 },
              { 53997, 10, -4 },
              { 26024, 10, -4 },
              { 2269, 10, -4 },
              { 0, 10, 0 },
              { 8469, 10, -4 },
              { 31366, 10, -4 },
              { 55904, 10, -4 },
              { 54532, 10, -4 },
              { 45872, 10, -4 }
            },
            y {
              { 44432, 10, -4 },
              { 44432, 10, -4 },
              { 54432, 10, -4 },
              { 58092, 10, -4 },
              { 40772, 10, -4 },
              { 54432, 10, -4 },
              { 40772, 10, -4 },
              { 58092, 10, -4 },
              { 53092, 10, -4 },
              { 35772, 10, -4 },
              { 35772, 10, -4 },
              { 53092, 10, -4 },
              { 65369, 10, -4 },
              { 80758, 10, -4 },
              { 39432, 10, -4 },
              { 40369, 10, -4 },
              { 35369, 10, -4 },
              { 50369, 10, -4 },
              { 25369, 10, -4 },
              { 55369, 10, -4 },
              { 20369, 10, -4 },
              { 10369, 10, -4 },
              { 71247, 10, -4 },
              { 71247, 10, -4 },
              { 5369, 10, -4 },
              { 80758, 10, -4 },
              { 88848, 10, -4 },
              { 49432, 10, -4 },
              { 49432, 10, -4 },
              { 34543, 10, -4 },
              { 41446, 10, -4 },
              { 41195, 10, -4 },
              { 34293, 10, -4 },
              { 56195, 10, -4 },
              { 49293, 10, -4 },
              { 19543, 10, -4 },
              { 26446, 10, -4 },
              { 49543, 10, -4 },
              { 56446, 10, -4 },
              { 26195, 10, -4 },
              { 19293, 10, -4 },
              { 4543, 10, -4 },
              { 11446, 10, -4 },
              { 69331, 10, -4 },
              { 69331, 10, -4 },
              { 10739, 10, -4 },
              { 2269, 10, -4 },
              { 0, 10, 0 },
              { 85774, 10, -4 },
              { 85204, 10, -4 },
              { 93864, 10, -4 },
              { 92492, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                13,
                13,
                14,
                14,
                24
              },
              aid2 {
                23,
                24,
                23,
                26,
                26
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.10.14"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 51, 10, 1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 11
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 9
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value binary '00000371E07339C06000000000000000000000000001600000000000
00000000000000018000001D04004000000800C102142F90170C1002A0001027647000802D1112
A00940001830008048020088001400000800028000211080800000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octyl-imida
zol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidaz
ol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidaz
ol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidaz
ol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octyl-imida
zol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "ditriflylazanide;1-methyl-3-octyl-imidazol-1-ium"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/C12H23N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-14-11-10-13(2
)12-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-12H,3-9H2,1-2H3;/q+1;-1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "LECQXINNQGHJBM-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "475.10341754"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C14H23F6N3O4S2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "475.5"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(
F)(F)F"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(
F)(F)F"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 948, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "475.10341754"
      }
    },
    count {
      heavy-atom 29,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 2,
      tautomers 1
    }
  }
}