PC-Compounds ::= {
  {
    id {
      id cid 16746438
    },
    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,
        69
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        13,
        15,
        15,
        16,
        16,
        17,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        23,
        24,
        24,
        25,
        25,
        26,
        26,
        27,
        27,
        28,
        28,
        31,
        31,
        31,
        32,
        32,
        33,
        33,
        34,
        34,
        34,
        35,
        35,
        36,
        36,
        37,
        38,
        38,
        38
      },
      aid2 {
        14,
        17,
        30,
        18,
        31,
        22,
        34,
        29,
        38,
        30,
        8,
        9,
        14,
        10,
        39,
        40,
        11,
        41,
        42,
        11,
        43,
        44,
        45,
        46,
        13,
        15,
        16,
        47,
        14,
        48,
        49,
        17,
        18,
        20,
        21,
        19,
        23,
        22,
        24,
        25,
        50,
        26,
        51,
        23,
        52,
        27,
        28,
        29,
        53,
        29,
        54,
        30,
        55,
        32,
        33,
        56,
        57,
        58,
        35,
        59,
        36,
        60,
        61,
        62,
        63,
        37,
        64,
        37,
        65,
        66,
        67,
        68,
        69
      },
      order {
        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,
        single,
        single,
        double,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 13,
        top 15,
        bottom 16,
        below 47,
        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,
          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
        },
        conformers {
          {
            x {
              { 54641, 10, -4 },
              { 72241, 10, -4 },
              { 3732, 10, -3 },
              { 54641, 10, -4 },
              { 2, 10, 0 },
              { 89942, 10, -4 },
              { 71962, 10, -4 },
              { 73007, 10, -4 },
              { 81097, 10, -4 },
              { 82788, 10, -4 },
              { 87788, 10, -4 },
              { 54641, 10, -4 },
              { 63301, 10, -4 },
              { 63301, 10, -4 },
              { 54641, 10, -4 },
              { 45981, 10, -4 },
              { 63301, 10, -4 },
              { 45981, 10, -4 },
              { 63301, 10, -4 },
              { 3732, 10, -3 },
              { 45981, 10, -4 },
              { 54641, 10, -4 },
              { 45981, 10, -4 },
              { 72241, 10, -4 },
              { 2866, 10, -3 },
              { 3732, 10, -3 },
              { 81301, 10, -4 },
              { 72125, 10, -4 },
              { 2866, 10, -3 },
              { 81301, 10, -4 },
              { 2866, 10, -3 },
              { 63408, 10, -4 },
              { 80727, 10, -4 },
              { 45981, 10, -4 },
              { 63292, 10, -4 },
              { 80611, 10, -4 },
              { 71894, 10, -4 },
              { 2, 10, 0 },
              { 66807, 10, -4 },
              { 72359, 10, -4 },
              { 86113, 10, -4 },
              { 77997, 10, -4 },
              { 80872, 10, -4 },
              { 88452, 10, -4 },
              { 92804, 10, -4 },
              { 91937, 10, -4 },
              { 54641, 10, -4 },
              { 69407, 10, -4 },
              { 65422, 10, -4 },
              { 3732, 10, -3 },
              { 5135, 10, -3 },
              { 40611, 10, -4 },
              { 23291, 10, -4 },
              { 3732, 10, -3 },
              { 86659, 10, -4 },
              { 3176, 10, -3 },
              { 23291, 10, -4 },
              { 2556, 10, -3 },
              { 58074, 10, -4 },
              { 86132, 10, -4 },
              { 49081, 10, -4 },
              { 40611, 10, -4 },
              { 42881, 10, -4 },
              { 57887, 10, -4 },
              { 85944, 10, -4 },
              { 71822, 10, -4 },
              { 138, 10, -2 },
              { 2, 10, 0 },
              { 262, 10, -2 }
            },
            y {
              { -3416, 10, -3 },
              { -4507, 10, -4 },
              { -416, 10, -3 },
              { 2584, 10, -3 },
              { -3416, 10, -3 },
              { -4402, 10, -4 },
              { -3416, 10, -3 },
              { -44105, 10, -4 },
              { -30093, 10, -4 },
              { -46184, 10, -4 },
              { -37524, 10, -4 },
              { -1416, 10, -3 },
              { -1916, 10, -3 },
              { -2916, 10, -3 },
              { -416, 10, -3 },
              { -1916, 10, -3 },
              { 84, 10, -3 },
              { 84, 10, -3 },
              { 1084, 10, -3 },
              { -1416, 10, -3 },
              { -2916, 10, -3 },
              { 1584, 10, -3 },
              { 1084, 10, -3 },
              { 16186, 10, -4 },
              { -1916, 10, -3 },
              { -3416, 10, -3 },
              { 11048, 10, -4 },
              { 26186, 10, -4 },
              { -2916, 10, -3 },
              { 632, 10, -4 },
              { 84, 10, -3 },
              { 31085, 10, -4 },
              { 31286, 10, -4 },
              { 3084, 10, -3 },
              { 41085, 10, -4 },
              { 41285, 10, -4 },
              { 46184, 10, -4 },
              { -4416, 10, -3 },
              { -44105, 10, -4 },
              { -50271, 10, -4 },
              { -26448, 10, -4 },
              { -24723, 10, -4 },
              { -52081, 10, -4 },
              { -48706, 10, -4 },
              { -41168, 10, -4 },
              { -32917, 10, -4 },
              { -2036, 10, -3 },
              { -20237, 10, -4 },
              { -13334, 10, -4 },
              { -796, 10, -3 },
              { -3226, 10, -3 },
              { 1394, 10, -3 },
              { -1606, 10, -3 },
              { -4036, 10, -3 },
              { 14169, 10, -4 },
              { 6209, 10, -4 },
              { 394, 10, -3 },
              { -4529, 10, -4 },
              { 27924, 10, -4 },
              { 28248, 10, -4 },
              { 36209, 10, -4 },
              { 3394, 10, -3 },
              { 2547, 10, -3 },
              { 44122, 10, -4 },
              { 44447, 10, -4 },
              { 52384, 10, -4 },
              { -4416, 10, -3 },
              { -5036, 10, -3 },
              { -4416, 10, -3 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                wavy,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                2,
                2,
                12,
                15,
                15,
                16,
                16,
                17,
                18,
                19,
                19,
                20,
                21,
                22,
                24,
                25,
                26,
                27,
                28,
                28,
                32,
                33,
                35,
                36
              },
              aid2 {
                17,
                30,
                13,
                17,
                18,
                20,
                21,
                19,
                23,
                22,
                24,
                25,
                26,
                23,
                27,
                29,
                29,
                30,
                32,
                33,
                35,
                36,
                37,
                37
              }
            }
          }
        }
      }
    },
    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 { 839, 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 6
      },
      {
        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 0
      },
      {
        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 8
      },
      {
        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 '00000371E07A38000000000000000000000000000001600000003060
C1000000000000815000001E00000000000D04C19806320E83000400880221D218000208002020
000888010E08C80C273284B11A863A20A5C61588A90798FCFECEA0000208000800004000041000
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 "5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-
yl-propyl]-4-phenyl-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 "5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-(1-pyrrolidin
yl)propyl]-4-phenyl-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 "5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-
ylpropyl]-4-phenylchromen-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 "5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-
ylpropyl]-4-phenylchromen-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 "5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-oxidanylidene-3-pyr
rolidin-1-yl-propyl]-4-phenyl-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 "8-[3-keto-1-(4-methoxyphenyl)-3-pyrrolidino-propyl]-5,7-di
methoxy-4-phenyl-coumarin"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C31H31NO6/c1-35-22-13-11-21(12-14-22)23(17-27(33)
32-15-7-8-16-32)29-25(36-2)19-26(37-3)30-24(18-28(34)38-31(29)30)20-9-5-4-6-10
-20/h4-6,9-14,18-19,23H,7-8,15-17H2,1-3H3"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "PROGRNRRJJYCNX-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 { 46, 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 "513.21513771"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C31H31NO6"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "513.6"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "COC1=CC=C(C=C1)C(CC(=O)N2CCCC2)C3=C(C=C(C4=C3OC(=O)C=C4C5=
CC=CC=C5)OC)OC"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "COC1=CC=C(C=C1)C(CC(=O)N2CCCC2)C3=C(C=C(C4=C3OC(=O)C=C4C5=
CC=CC=C5)OC)OC"
      },
      {
        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 { 743, 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 "513.21513771"
      }
    },
    count {
      heavy-atom 38,
      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
    }
  }
}