PC-Compounds ::= {
  {
    id {
      id cid 11490147
    },
    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,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68
      },
      element {
        s,
        s,
        f,
        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 13,
          value 1
        },
        {
          aid 17,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        22,
        22,
        23,
        24,
        24,
        24,
        25,
        25,
        25,
        26,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        29,
        30,
        30,
        31,
        31,
        31,
        32,
        33,
        33,
        33,
        34,
        34,
        34,
        35,
        35,
        35
      },
      aid2 {
        9,
        10,
        17,
        36,
        11,
        12,
        17,
        37,
        36,
        36,
        36,
        37,
        37,
        37,
        18,
        19,
        22,
        18,
        20,
        23,
        21,
        26,
        30,
        21,
        32,
        21,
        24,
        38,
        39,
        25,
        40,
        41,
        23,
        42,
        43,
        28,
        44,
        45,
        29,
        46,
        47,
        27,
        48,
        49,
        31,
        50,
        51,
        33,
        52,
        53,
        34,
        54,
        55,
        32,
        56,
        35,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68
      },
      order {
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        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,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        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,
          53,
          54,
          55,
          56,
          57,
          58,
          59,
          60,
          61,
          62,
          63,
          64,
          65,
          66,
          67,
          68
        },
        conformers {
          {
            x {
              { 44196, 10, -4 },
              { 26875, 10, -4 },
              { 61516, 10, -4 },
              { 47856, 10, -4 },
              { 57856, 10, -4 },
              { 9555, 10, -4 },
              { 13215, 10, -4 },
              { 23215, 10, -4 },
              { 39196, 10, -4 },
              { 49196, 10, -4 },
              { 21875, 10, -4 },
              { 31875, 10, -4 },
              { 2269, 10, -3 },
              { 2769, 10, -3 },
              { 48381, 10, -4 },
              { 43381, 10, -4 },
              { 35535, 10, -4 },
              { 3078, 10, -3 },
              { 2269, 10, -3 },
              { 33568, 10, -4 },
              { 40291, 10, -4 },
              { 146, 10, -2 },
              { 1769, 10, -3 },
              { 1403, 10, -3 },
              { 295, 10, -2 },
              { 48381, 10, -4 },
              { 57041, 10, -4 },
              { 1403, 10, -3 },
              { 35378, 10, -4 },
              { 56471, 10, -4 },
              { 57041, 10, -4 },
              { 53381, 10, -4 },
              { 5369, 10, -4 },
              { 31311, 10, -4 },
              { 65701, 10, -4 },
              { 52856, 10, -4 },
              { 18215, 10, -4 },
              { 2481, 10, -3 },
              { 28796, 10, -4 },
              { 37875, 10, -4 },
              { 38708, 10, -4 },
              { 8703, 10, -4 },
              { 14046, 10, -4 },
              { 11909, 10, -4 },
              { 7924, 10, -4 },
              { 25194, 10, -4 },
              { 2436, 10, -3 },
              { 4626, 10, -3 },
              { 42275, 10, -4 },
              { 59162, 10, -4 },
              { 63147, 10, -4 },
              { 1615, 10, -3 },
              { 20135, 10, -4 },
              { 39685, 10, -4 },
              { 40518, 10, -4 },
              { 62368, 10, -4 },
              { 5492, 10, -3 },
              { 50935, 10, -4 },
              { 57025, 10, -4 },
              { 2269, 10, -4 },
              { 0, 10, 0 },
              { 8469, 10, -4 },
              { 36975, 10, -4 },
              { 28789, 10, -4 },
              { 25647, 10, -4 },
              { 68801, 10, -4 },
              { 71071, 10, -4 },
              { 62601, 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 },
              { 7769, 10, -3 },
              { 93078, 10, -4 },
              { 86355, 10, -4 },
              { 70967, 10, -4 },
              { 366, 10, -3 },
              { 83568, 10, -4 },
              { 6769, 10, -3 },
              { 101168, 10, -4 },
              { 80478, 10, -4 },
              { 83568, 10, -4 },
              { 93078, 10, -4 },
              { 6269, 10, -3 },
              { 110304, 10, -4 },
              { 96355, 10, -4 },
              { 101355, 10, -4 },
              { 5269, 10, -3 },
              { 118394, 10, -4 },
              { 80478, 10, -4 },
              { 111355, 10, -4 },
              { 70967, 10, -4 },
              { 4769, 10, -3 },
              { 12753, 10, -3 },
              { 116355, 10, -4 },
              { 1366, 10, -3 },
              { 1366, 10, -3 },
              { 61864, 10, -4 },
              { 68766, 10, -4 },
              { 96708, 10, -4 },
              { 104635, 10, -4 },
              { 81652, 10, -4 },
              { 98094, 10, -4 },
              { 68516, 10, -4 },
              { 61613, 10, -4 },
              { 114764, 10, -4 },
              { 106837, 10, -4 },
              { 102182, 10, -4 },
              { 95279, 10, -4 },
              { 95529, 10, -4 },
              { 102432, 10, -4 },
              { 46864, 10, -4 },
              { 53766, 10, -4 },
              { 113934, 10, -4 },
              { 121861, 10, -4 },
              { 82394, 10, -4 },
              { 117181, 10, -4 },
              { 110279, 10, -4 },
              { 65951, 10, -4 },
              { 53059, 10, -4 },
              { 4459, 10, -3 },
              { 4232, 10, -3 },
              { 130051, 10, -4 },
              { 133194, 10, -4 },
              { 125008, 10, -4 },
              { 110986, 10, -4 },
              { 119455, 10, -4 },
              { 121725, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                13,
                13,
                14,
                14,
                15,
                15,
                16,
                16,
                22,
                30
              },
              aid2 {
                18,
                22,
                18,
                23,
                21,
                30,
                21,
                32,
                23,
                32
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2019.01.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 655, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 12
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 12
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371E07BB9C0600000000000000000000000000162C000000000
0000000000000001E000001D04004000000800C103142F90170C1002A0001227647000802D1112
A00940001830008048000088001400000800028000200000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butyl
imidazol-2-yl)imidazol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butyl
-2-imidazolyl)imidazol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butyl
imidazol-2-yl)imidazol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butyl
imidazol-2-yl)imidazol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1,3-dibutyl-2-(1-butyl
imidazol-2-yl)imidazol-1-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-dibutyl-2-(1-butylimidazol-2-yl)imidazol-1-ium;ditrifl
ylazanide"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C18H31N4.C2F6NO4S2/c1-4-7-11-20-14-10-19-17(20)18
-21(12-8-5-2)15-16-22(18)13-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10,14-1
6H,4-9,11-13H2,1-3H3;/q+1;-1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "UILLYTOUWMKPEM-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "583.17216581"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C20H31F6N5O4S2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "583.6"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CCCCN1C=CN=C1C2=[N+](C=CN2CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-
]S(=O)(=O)C(F)(F)F"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CCCCN1C=CN=C1C2=[N+](C=CN2CCCC)CCCC.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 "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 113, 10, 0 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "583.17216581"
      }
    },
    count {
      heavy-atom 37,
      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
    }
  }
}