PC-Compounds ::= {
  {
    id {
      id cid 11731903
    },
    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
      },
      element {
        s,
        s,
        f,
        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        17,
        18,
        18,
        19,
        20,
        20,
        20,
        21,
        21,
        21
      },
      aid2 {
        9,
        10,
        15,
        22,
        11,
        12,
        15,
        23,
        22,
        22,
        22,
        23,
        23,
        23,
        16,
        17,
        18,
        17,
        19,
        21,
        20,
        24,
        25,
        26,
        19,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34
      },
      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,
        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
        },
        conformers {
          {
            x {
              { 34641, 10, -4 },
              { 1732, 10, -3 },
              { 51962, 10, -4 },
              { 38301, 10, -4 },
              { 48301, 10, -4 },
              { 0, 10, 0 },
              { 366, 10, -3 },
              { 1366, 10, -3 },
              { 29641, 10, -4 },
              { 39641, 10, -4 },
              { 1232, 10, -3 },
              { 2232, 10, -3 },
              { 25049, 10, -4 },
              { 30049, 10, -4 },
              { 25981, 10, -4 },
              { 25049, 10, -4 },
              { 33139, 10, -4 },
              { 16958, 10, -4 },
              { 20049, 10, -4 },
              { 16388, 10, -4 },
              { 35926, 10, -4 },
              { 43301, 10, -4 },
              { 866, 10, -3 },
              { 27169, 10, -4 },
              { 31154, 10, -4 },
              { 39035, 10, -4 },
              { 11062, 10, -4 },
              { 16404, 10, -4 },
              { 13288, 10, -4 },
              { 11019, 10, -4 },
              { 19488, 10, -4 },
              { 40942, 10, -4 },
              { 39571, 10, -4 },
              { 30911, 10, -4 }
            },
            y {
              { 866, 10, -3 },
              { 866, 10, -3 },
              { 1866, 10, -3 },
              { 2232, 10, -3 },
              { 5, 10, -1 },
              { 1866, 10, -3 },
              { 5, 10, -1 },
              { 2232, 10, -3 },
              { 1732, 10, -3 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 1732, 10, -3 },
              { 6269, 10, -3 },
              { 78078, 10, -4 },
              { 366, 10, -3 },
              { 5269, 10, -3 },
              { 68568, 10, -4 },
              { 68568, 10, -4 },
              { 78078, 10, -4 },
              { 4769, 10, -3 },
              { 86168, 10, -4 },
              { 1366, 10, -3 },
              { 1366, 10, -3 },
              { 46864, 10, -4 },
              { 53766, 10, -4 },
              { 66652, 10, -4 },
              { 66652, 10, -4 },
              { 83094, 10, -4 },
              { 53059, 10, -4 },
              { 4459, 10, -3 },
              { 4232, 10, -3 },
              { 82524, 10, -4 },
              { 91184, 10, -4 },
              { 89813, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                13,
                13,
                14,
                14,
                18
              },
              aid2 {
                17,
                18,
                17,
                19,
                19
              }
            }
          }
        }
      }
    },
    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 { 447, 10, 0 }
      },
      {
        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 3
      },
      {
        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 '00000371C07339C06000000000000000000000000001600000000000
00000000000000018000001D04004000000000C102142F90170C1002A0001027647000802D1112
A00940001830008048000008001000000800028000200000000000000000000000000000000000
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-ethyl-3-methyl-imida
zol-3-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-ethyl-3-methylimidaz
ol-3-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-ethyl-3-methylimidaz
ol-3-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-ethyl-3-methylimidaz
ol-3-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-ethyl-3-methyl-imida
zol-3-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-ethyl-3-methyl-imidazol-3-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/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(1
0,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/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 "LRESCJAINPKJTO-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 "391.00951716"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C8H11F6N3O4S2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "391.3"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCN1C=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 "CCN1C=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 "391.00951716"
      }
    },
    count {
      heavy-atom 23,
      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
    }
  }
}