PC-Compounds ::= {
  {
    id {
      id cid 3245409
    },
    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,
        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
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        11,
        11,
        11,
        12,
        13,
        13,
        15,
        15,
        16,
        17,
        17,
        17,
        19,
        20,
        22,
        22,
        23,
        23,
        24,
        25,
        25,
        25
      },
      aid2 {
        14,
        21,
        10,
        18,
        20,
        24,
        16,
        25,
        18,
        17,
        21,
        32,
        8,
        14,
        21,
        10,
        12,
        13,
        15,
        12,
        14,
        18,
        26,
        16,
        27,
        19,
        28,
        19,
        20,
        29,
        30,
        31,
        22,
        23,
        33,
        24,
        34,
        35,
        36,
        37,
        38
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        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
        },
        conformers {
          {
            x {
              { 82346, 10, -4 },
              { 63981, 10, -4 },
              { 119989, 10, -4 },
              { 2868, 10, -3 },
              { 81301, 10, -4 },
              { 96195, 10, -4 },
              { 90437, 10, -4 },
              { 97128, 10, -4 },
              { 5532, 10, -3 },
              { 5532, 10, -3 },
              { 72641, 10, -4 },
              { 63981, 10, -4 },
              { 46381, 10, -4 },
              { 81301, 10, -4 },
              { 46381, 10, -4 },
              { 3732, 10, -3 },
              { 106141, 10, -4 },
              { 72641, 10, -4 },
              { 3732, 10, -3 },
              { 110208, 10, -4 },
              { 92128, 10, -4 },
              { 105208, 10, -4 },
              { 111899, 10, -4 },
              { 121035, 10, -4 },
              { 2, 10, 0 },
              { 63981, 10, -4 },
              { 46453, 10, -4 },
              { 46453, 10, -4 },
              { 105708, 10, -4 },
              { 112156, 10, -4 },
              { 31963, 10, -4 },
              { 92551, 10, -4 },
              { 99042, 10, -4 },
              { 11061, 10, -3 },
              { 126404, 10, -4 },
              { 16921, 10, -4 },
              { 14619, 10, -4 },
              { 23079, 10, -4 }
            },
            y {
              { -3598, 10, -4 },
              { -33543, 10, -4 },
              { 19877, 10, -4 },
              { -13301, 10, -4 },
              { -33543, 10, -4 },
              { 7617, 10, -4 },
              { -1761, 10, -3 },
              { -10179, 10, -4 },
              { -18543, 10, -4 },
              { -28543, 10, -4 },
              { -18543, 10, -4 },
              { -13543, 10, -4 },
              { -13196, 10, -4 },
              { -13543, 10, -4 },
              { -33889, 10, -4 },
              { -18335, 10, -4 },
              { 8662, 10, -4 },
              { -28543, 10, -4 },
              { -28751, 10, -4 },
              { 17798, 10, -4 },
              { -1518, 10, -4 },
              { 26458, 10, -4 },
              { 33889, 10, -4 },
              { 29822, 10, -4 },
              { -18268, 10, -4 },
              { -7343, 10, -4 },
              { -6997, 10, -4 },
              { -40089, 10, -4 },
              { 2477, 10, -4 },
              { 7162, 10, -4 },
              { -31872, 10, -4 },
              { 12633, 10, -4 },
              { 27106, 10, -4 },
              { 39954, 10, -4 },
              { 32922, 10, -4 },
              { -12887, 10, -4 },
              { -21347, 10, -4 },
              { -23649, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                1,
                1,
                2,
                2,
                3,
                3,
                7,
                7,
                8,
                9,
                9,
                9,
                10,
                11,
                11,
                13,
                15,
                16,
                20,
                22,
                23
              },
              aid2 {
                14,
                21,
                10,
                18,
                20,
                24,
                8,
                14,
                21,
                10,
                12,
                13,
                15,
                12,
                18,
                16,
                19,
                19,
                22,
                23,
                24
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.05.07"
        },
        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 { 532, 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 "2021.05.07"
        },
        value ival 8
      },
      {
        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 1
      },
      {
        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 5
      },
      {
        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 '00000371C07B38004000000000000000000000000001624000003040
0000000000000081F000001E04180000000C04E1DA06331E82C00448AE02A8F2A8009208826420
191D8881AE0CD88E263AA4BD3B873B28F6C81318A987D8D1320E01000100000800000200020000
100000000000000000'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 "3-[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]-6-methoxy
-chromen-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 "3-[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]-6-metho
xy-1-benzopyran-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 "3-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-meth
oxychromen-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 "3-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-meth
oxychromen-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 "3-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-meth
oxy-chromen-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 "3-[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]-6-methoxy-co
umarin"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C17H13N3O4S/c1-22-11-4-5-14-10(7-11)8-13(16(21)24
-14)15-19-20-17(25-15)18-9-12-3-2-6-23-12/h2-8H,9H2,1H3,(H,18,20)"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "FGEUBEAAGNLPJP-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 "355.06267708"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C17H13N3O4S"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "355.4"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC=CO4"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC=CO4"
      },
      {
        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 { 115, 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 "355.06267708"
      }
    },
    count {
      heavy-atom 25,
      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 1,
      tautomers -1
    }
  }
}