PC-Compounds ::= {
  {
    id {
      id cid 11564141
    },
    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,
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        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
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        55,
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        57,
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        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        74,
        75,
        76,
        77,
        78,
        79,
        80,
        81
      },
      element {
        s,
        s,
        s,
        s,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        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,
        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
      },
      charge {
        {
          aid 27,
          value 1
        },
        {
          aid 28,
          value 1
        },
        {
          aid 29,
          value -1
        },
        {
          aid 30,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        25,
        25,
        25,
        26,
        26,
        26,
        27,
        27,
        27,
        28,
        28,
        28,
        31,
        31,
        31,
        31,
        32,
        32,
        32,
        33,
        33,
        33,
        34,
        34,
        34,
        35,
        35,
        35,
        36,
        36,
        36,
        37,
        37,
        37,
        38,
        38,
        39,
        39,
        40,
        41,
        42,
        42,
        43,
        43,
        44,
        45,
        46,
        46,
        46,
        47,
        47,
        47
      },
      aid2 {
        17,
        18,
        29,
        48,
        19,
        20,
        29,
        49,
        21,
        22,
        30,
        50,
        23,
        24,
        30,
        51,
        48,
        48,
        48,
        49,
        49,
        49,
        50,
        50,
        50,
        51,
        51,
        51,
        38,
        40,
        42,
        39,
        41,
        43,
        40,
        44,
        46,
        41,
        45,
        47,
        32,
        33,
        52,
        53,
        34,
        54,
        55,
        35,
        56,
        57,
        36,
        58,
        59,
        37,
        60,
        61,
        38,
        62,
        63,
        39,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        44,
        72,
        45,
        73,
        74,
        75,
        76,
        77,
        78,
        79,
        80,
        81
      },
      order {
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        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,
          69,
          70,
          71,
          72,
          73,
          74,
          75,
          76,
          77,
          78,
          79,
          80,
          81
        },
        conformers {
          {
            x {
              { 34641, 10, -4 },
              { 1732, 10, -3 },
              { 126188, 10, -4 },
              { 108868, 10, -4 },
              { 51962, 10, -4 },
              { 38301, 10, -4 },
              { 48301, 10, -4 },
              { 0, 10, 0 },
              { 366, 10, -3 },
              { 1366, 10, -3 },
              { 143509, 10, -4 },
              { 129849, 10, -4 },
              { 139849, 10, -4 },
              { 91547, 10, -4 },
              { 95208, 10, -4 },
              { 105208, 10, -4 },
              { 29641, 10, -4 },
              { 39641, 10, -4 },
              { 1232, 10, -3 },
              { 2232, 10, -3 },
              { 121188, 10, -4 },
              { 131188, 10, -4 },
              { 103868, 10, -4 },
              { 113868, 10, -4 },
              { 147201, 10, -4 },
              { 1039, 10, -2 },
              { 152201, 10, -4 },
              { 88073, 10, -4 },
              { 25981, 10, -4 },
              { 117528, 10, -4 },
              { 12988, 10, -3 },
              { 12988, 10, -3 },
              { 12122, 10, -3 },
              { 138541, 10, -4 },
              { 12122, 10, -3 },
              { 138541, 10, -4 },
              { 11256, 10, -3 },
              { 147201, 10, -4 },
              { 11256, 10, -3 },
              { 155291, 10, -4 },
              { 94764, 10, -4 },
              { 139111, 10, -4 },
              { 102854, 10, -4 },
              { 142201, 10, -4 },
              { 93073, 10, -4 },
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              { 866, 10, -3 },
              { 134849, 10, -4 },
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              { 132001, 10, -4 },
              { 135986, 10, -4 },
              { 12776, 10, -3 },
              { 123774, 10, -4 },
              { 1191, 10, -2 },
              { 115114, 10, -4 },
              { 140661, 10, -4 },
              { 144646, 10, -4 },
              { 123341, 10, -4 },
              { 127326, 10, -4 },
              { 13642, 10, -3 },
              { 132435, 10, -4 },
              { 110439, 10, -4 },
              { 106454, 10, -4 },
              { 149321, 10, -4 },
              { 153307, 10, -4 },
              { 11468, 10, -3 },
              { 118666, 10, -4 },
              { 161188, 10, -4 },
              { 93475, 10, -4 },
              { 133214, 10, -4 },
              { 107462, 10, -4 },
              { 138557, 10, -4 },
              { 90551, 10, -4 },
              { 163095, 10, -4 },
              { 161723, 10, -4 },
              { 153063, 10, -4 },
              { 78776, 10, -4 },
              { 71962, 10, -4 },
              { 7748, 10, -3 }
            },
            y {
              { 79252, 10, -4 },
              { 79252, 10, -4 },
              { 866, 10, -3 },
              { 866, 10, -3 },
              { 89252, 10, -4 },
              { 92912, 10, -4 },
              { 75591, 10, -4 },
              { 89252, 10, -4 },
              { 75591, 10, -4 },
              { 92912, 10, -4 },
              { 1866, 10, -3 },
              { 2232, 10, -3 },
              { 5, 10, -1 },
              { 1866, 10, -3 },
              { 5, 10, -1 },
              { 2232, 10, -3 },
              { 87912, 10, -4 },
              { 70591, 10, -4 },
              { 70591, 10, -4 },
              { 87912, 10, -4 },
              { 1732, 10, -3 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 1732, 10, -3 },
              { 135009, 10, -4 },
              { 60009, 10, -4 },
              { 150397, 10, -4 },
              { 56645, 10, -4 },
              { 74252, 10, -4 },
              { 366, 10, -3 },
              { 95009, 10, -4 },
              { 105009, 10, -4 },
              { 90009, 10, -4 },
              { 110009, 10, -4 },
              { 80009, 10, -4 },
              { 120009, 10, -4 },
              { 75009, 10, -4 },
              { 125009, 10, -4 },
              { 65009, 10, -4 },
              { 140887, 10, -4 },
              { 64076, 10, -4 },
              { 140887, 10, -4 },
              { 50064, 10, -4 },
              { 150397, 10, -4 },
              { 47984, 10, -4 },
              { 158487, 10, -4 },
              { 5769, 10, -3 },
              { 84252, 10, -4 },
              { 84252, 10, -4 },
              { 1366, 10, -3 },
              { 1366, 10, -3 },
              { 89183, 10, -4 },
              { 96085, 10, -4 },
              { 110835, 10, -4 },
              { 103932, 10, -4 },
              { 95835, 10, -4 },
              { 88932, 10, -4 },
              { 104183, 10, -4 },
              { 111085, 10, -4 },
              { 74183, 10, -4 },
              { 81085, 10, -4 },
              { 125835, 10, -4 },
              { 118932, 10, -4 },
              { 80835, 10, -4 },
              { 73932, 10, -4 },
              { 119183, 10, -4 },
              { 126085, 10, -4 },
              { 59183, 10, -4 },
              { 66085, 10, -4 },
              { 138971, 10, -4 },
              { 70141, 10, -4 },
              { 138971, 10, -4 },
              { 45915, 10, -4 },
              { 155413, 10, -4 },
              { 4232, 10, -3 },
              { 154843, 10, -4 },
              { 163503, 10, -4 },
              { 162132, 10, -4 },
              { 63856, 10, -4 },
              { 58338, 10, -4 },
              { 51524, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                25,
                25,
                26,
                26,
                27,
                27,
                28,
                28,
                42,
                43
              },
              aid2 {
                40,
                42,
                41,
                43,
                40,
                44,
                41,
                45,
                44,
                45
              }
            }
          }
        }
      }
    },
    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 { 619, 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 22
      },
      {
        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 14
      },
      {
        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 '00000371E07BBDC0700000000000000000000000000162C000000000
0000000000000001E000001D04004000000800C102142F90170C1002A0001027647000802D1112
A00940001830008048020088001400000800028000211080800000000000000000000000000000
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-methyl-3-[9-(3-methy
limidazol-3-ium-1-yl)nonyl]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-methyl-3-[9-(3-methy
l-1-imidazol-3-iumyl)nonyl]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-methyl-3-[9-(3-methy
limidazol-3-ium-1-yl)nonyl]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-methyl-3-[9-(3-methy
limidazol-3-ium-1-yl)nonyl]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-methyl-3-[9-(3-methy
limidazol-3-ium-1-yl)nonyl]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 "ditriflylazanide;1-methyl-3-[9-(3-methylimidazol-3-ium-1-y
l)nonyl]imidazol-1-ium"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C17H30N4.2C2F6NO4S2/c1-18-12-14-20(16-18)10-8-6-4
-3-5-7-9-11-21-15-13-19(2)17-21;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-17H,
3-11H2,1-2H3;;/q+2;2*-1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "GKEXOMDLMYFOMK-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 "850.0816346"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C21H30F12N6O8S4"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "850.7"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C[N+]1=CN(C=C1)CCCCCCCCCN2C=C[N+](=C2)C.C(F)(F)(F)S(=O)(=O
)[N-]S(=O)(=O)C(F)(F)F.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 "C[N+]1=CN(C=C1)CCCCCCCCCN2C=C[N+](=C2)C.C(F)(F)(F)S(=O)(=O
)[N-]S(=O)(=O)C(F)(F)F.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 { 19, 10, 1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "850.0816346"
      }
    },
    count {
      heavy-atom 51,
      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 3,
      tautomers -1
    }
  }
}