PC-Compounds ::= {
  {
    id {
      id cid 17407365
    },
    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
      },
      element {
        s,
        o,
        o,
        n,
        n,
        n,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        16,
        17,
        19,
        19,
        19,
        20,
        21,
        21,
        22,
        22,
        23
      },
      aid2 {
        17,
        18,
        10,
        20,
        23,
        9,
        10,
        26,
        16,
        18,
        18,
        19,
        35,
        8,
        10,
        12,
        24,
        9,
        11,
        14,
        13,
        25,
        27,
        28,
        29,
        15,
        16,
        15,
        30,
        31,
        17,
        32,
        20,
        33,
        34,
        21,
        22,
        36,
        23,
        37,
        38
      },
      order {
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 10,
        bottom 12,
        below 24,
        parity any,
        type tetrahedral
      }
    },
    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
        },
        conformers {
          {
            x {
              { 43907, 10, -4 },
              { 111013, 10, -4 },
              { 21045, 10, -4 },
              { 95176, 10, -4 },
              { 58688, 10, -4 },
              { 44839, 10, -4 },
              { 95176, 10, -4 },
              { 85714, 10, -4 },
              { 85714, 10, -4 },
              { 101013, 10, -4 },
              { 77054, 10, -4 },
              { 98283, 10, -4 },
              { 68394, 10, -4 },
              { 77054, 10, -4 },
              { 68394, 10, -4 },
              { 59734, 10, -4 },
              { 50598, 10, -4 },
              { 48907, 10, -4 },
              { 34894, 10, -4 },
              { 30827, 10, -4 },
              { 35827, 10, -4 },
              { 29136, 10, -4 },
              { 2, 10, 0 },
              { 90802, 10, -4 },
              { 77054, 10, -4 },
              { 97102, 10, -4 },
              { 104176, 10, -4 },
              { 100209, 10, -4 },
              { 9239, 10, -3 },
              { 77054, 10, -4 },
              { 63024, 10, -4 },
              { 49309, 10, -4 },
              { 28878, 10, -4 },
              { 35327, 10, -4 },
              { 48484, 10, -4 },
              { 41993, 10, -4 },
              { 30424, 10, -4 },
              { 14631, 10, -4 }
            },
            y {
              { -8382, 10, -4 },
              { -21746, 10, -4 },
              { 21674, 10, -4 },
              { -29793, 10, -4 },
              { -1801, 10, -4 },
              { 9414, 10, -4 },
              { -13698, 10, -4 },
              { -16746, 10, -4 },
              { -26746, 10, -4 },
              { -21746, 10, -4 },
              { -11746, 10, -4 },
              { -4193, 10, -4 },
              { -16746, 10, -4 },
              { -31746, 10, -4 },
              { -26746, 10, -4 },
              { -11746, 10, -4 },
              { -15813, 10, -4 },
              { 278, 10, -4 },
              { 10459, 10, -4 },
              { 19595, 10, -4 },
              { 28255, 10, -4 },
              { 35686, 10, -4 },
              { 31619, 10, -4 },
              { -9305, 10, -4 },
              { -5546, 10, -4 },
              { -35686, 10, -4 },
              { -6119, 10, -4 },
              { 17, 10, -2 },
              { -2267, 10, -4 },
              { -37946, 10, -4 },
              { -29846, 10, -4 },
              { -21878, 10, -4 },
              { 8959, 10, -4 },
              { 4274, 10, -4 },
              { 1443, 10, -3 },
              { 28903, 10, -4 },
              { 41751, 10, -4 },
              { 34719, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                wavy,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                1,
                1,
                3,
                3,
                5,
                5,
                7,
                8,
                8,
                9,
                11,
                13,
                14,
                16,
                20,
                21,
                22
              },
              aid2 {
                17,
                18,
                20,
                23,
                16,
                18,
                12,
                9,
                11,
                14,
                13,
                15,
                15,
                17,
                21,
                22,
                23
              }
            }
          }
        }
      }
    },
    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 "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 45, 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 "2021.05.07"
        },
        value ival 5
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value ival 2
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value ival 4
      },
      {
        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 "2021.05.07"
        },
        value binary '00000371C07B3000400000000000000000000000000162C480003000
0000000000005801F000001E04100000000D0CE5DE06B3D592C81448AC03AD72F40082F8A9652A
390988B5BE6CD88E26B2E4BDBB873928ECD413D8E9A79C99C28E88000200000200001000040000
040000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "5-[2-(2-furylmethylamino)thiazol-4-yl]-3-methyl-indolin-2-
one"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "5-[2-(2-furanylmethylamino)-4-thiazolyl]-3-methyl-1,3-dihy
droindol-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,
3-dihydroindol-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,
3-dihydroindol-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,
3-dihydroindol-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "5-[2-(2-furfurylamino)thiazol-4-yl]-3-methyl-oxindole"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C17H15N3O2S/c1-10-13-7-11(4-5-14(13)19-16(10)21)1
5-9-23-17(20-15)18-8-12-3-2-6-22-12/h2-7,9-10H,8H2,1H3,(H,18,20)(H,19,21)"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "DOMRIKOOTLUDAE-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2021.05.07"
        },
        value fval { 29, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "325.08849790"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C17H15N3O2S"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "325.4"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "CC1C2=C(C=CC(=C2)C3=CSC(=N3)NCC4=CC=CO4)NC1=O"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "CC1C2=C(C=CC(=C2)C3=CSC(=N3)NCC4=CC=CO4)NC1=O"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 954, 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 "325.08849790"
      }
    },
    count {
      heavy-atom 23,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers -1
    }
  }
}