PC-Compounds ::= {
  {
    id {
      id cid 70678351
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      charge {
        {
          aid 12,
          value -1
        },
        {
          aid 13,
          value -1
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        {
          aid 14,
          value -1
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        {
          aid 15,
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        {
          aid 16,
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        {
          aid 17,
          value -1
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        {
          aid 18,
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        {
          aid 19,
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        {
          aid 20,
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        {
          aid 21,
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        {
          aid 22,
          value -1
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        {
          aid 23,
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        {
          aid 24,
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        {
          aid 25,
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        {
          aid 26,
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        {
          aid 27,
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        {
          aid 28,
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        {
          aid 29,
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        {
          aid 30,
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        {
          aid 31,
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        {
          aid 32,
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          aid 35,
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          aid 36,
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          aid 37,
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        {
          aid 38,
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        {
          aid 39,
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      }
    },
    coords {
      {
        type {
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          units-unknown
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        conformers {
          {
            x {
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            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
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                40,
                41,
                42,
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              },
              aid2 {
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                45
              }
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        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2012.11.26"
        },
        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 { 153, 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 20
      },
      {
        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 14
      },
      {
        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 2
      },
      {
        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 '00000371F063FDCC0000000000000000000000000000000000003000
00000000000000010000001A001000400008048090003006800000008000204200000200002020
0008880006088808262280111280300024C0110888078040000000000000000000000000000000
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 "tetradecaammonium;fluoro-dioxido-phenoxy-silane;fluoro(tri
oxido)silane"
      },
      {
        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 "tetradecaammonium;fluoro-dioxido-phenoxysilane;fluoro(trio
xido)silane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "tetradecaazanium;fluoro-dioxido-phenoxysilane;fluoro(triox
ido)silane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "tetradecaazanium;fluoro-dioxido-phenoxysilane;fluoro(triox
ido)silane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "tetradecaazanium;fluoranyl-bis(oxidanidyl)-phenoxy-silane;
fluoranyl-tris(oxidanidyl)silane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "tetradecaammonium;fluoro-dioxido-phenoxy-silane;fluoro(tri
oxido)silane"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C6H5FO3Si.4FO3Si.14H3N/c7-11(8,9)10-6-4-2-1-3-5-6
;4*1-5(2,3)4;;;;;;;;;;;;;;/h1-5H;;;;;14*1H3/q-2;4*-3;;;;;;;;;;;;;;/p+14"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "RVCRBNZEKUKCTO-UHFFFAOYSA-A"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "804.32073078"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C6H61F5N14O15Si5"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "805.05"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C1=CC=C(C=C1)O[Si]([O-])([O-])F.[NH4+].[NH4+].[NH4+].[NH4+
].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][S
i]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-
])F"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C1=CC=C(C=C1)O[Si]([O-])([O-])F.[NH4+].[NH4+].[NH4+].[NH4+
].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-][S
i]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-])F.[O-][Si]([O-])([O-
])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 { 346, 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 "804.32073078"
      }
    },
    count {
      heavy-atom 45,
      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 19,
      tautomers -1
    }
  }
}