PC-Compounds ::= {
  {
    id {
      id cid 70296768
    },
    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
      },
      element {
        o,
        n,
        n,
        n,
        n,
        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
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        14,
        14,
        15,
        15,
        16,
        17,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22
      },
      aid2 {
        23,
        8,
        10,
        15,
        8,
        13,
        6,
        28,
        29,
        23,
        42,
        43,
        7,
        9,
        24,
        8,
        11,
        12,
        14,
        13,
        17,
        16,
        25,
        18,
        20,
        21,
        19,
        23,
        16,
        26,
        27,
        30,
        31,
        32,
        22,
        33,
        22,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41
      },
      order {
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 4,
        top 7,
        bottom 9,
        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,
          39,
          40,
          41,
          42,
          43
        },
        conformers {
          {
            x {
              { 5232, 10, -3 },
              { 54641, 10, -4 },
              { 64103, 10, -4 },
              { 54641, 10, -4 },
              { 3732, 10, -3 },
              { 45981, 10, -4 },
              { 45981, 10, -4 },
              { 54641, 10, -4 },
              { 3732, 10, -3 },
              { 64103, 10, -4 },
              { 3732, 10, -3 },
              { 2866, 10, -3 },
              { 69939, 10, -4 },
              { 3732, 10, -3 },
              { 45981, 10, -4 },
              { 3732, 10, -3 },
              { 6721, 10, -3 },
              { 2, 10, 0 },
              { 2866, 10, -3 },
              { 2866, 10, -3 },
              { 79939, 10, -4 },
              { 2, 10, 0 },
              { 4232, 10, -3 },
              { 45981, 10, -4 },
              { 31951, 10, -4 },
              { 45981, 10, -4 },
              { 31951, 10, -4 },
              { 6001, 10, -3 },
              { 57742, 10, -4 },
              { 73103, 10, -4 },
              { 69136, 10, -4 },
              { 61317, 10, -4 },
              { 14631, 10, -4 },
              { 2866, 10, -3 },
              { 3486, 10, -3 },
              { 2866, 10, -3 },
              { 2246, 10, -3 },
              { 79939, 10, -4 },
              { 86139, 10, -4 },
              { 79939, 10, -4 },
              { 14631, 10, -4 },
              { 3112, 10, -3 },
              { 4042, 10, -3 }
            },
            y {
              { -23592, 10, -4 },
              { 25069, 10, -4 },
              { 12021, 10, -4 },
              { -4931, 10, -4 },
              { -32252, 10, -4 },
              { 69, 10, -4 },
              { 10069, 10, -4 },
              { 15069, 10, -4 },
              { -4931, 10, -4 },
              { 28116, 10, -4 },
              { 15069, 10, -4 },
              { 69, 10, -4 },
              { 20069, 10, -4 },
              { -14931, 10, -4 },
              { 30069, 10, -4 },
              { 25069, 10, -4 },
              { 37621, 10, -4 },
              { -4931, 10, -4 },
              { -19931, 10, -4 },
              { 10069, 10, -4 },
              { 20069, 10, -4 },
              { -14931, 10, -4 },
              { -23592, 10, -4 },
              { -6131, 10, -4 },
              { 11969, 10, -4 },
              { 36269, 10, -4 },
              { 28169, 10, -4 },
              { -1831, 10, -4 },
              { -103, 10, -2 },
              { 35695, 10, -4 },
              { 43514, 10, -4 },
              { 39547, 10, -4 },
              { -1831, 10, -4 },
              { -26131, 10, -4 },
              { 10069, 10, -4 },
              { 16269, 10, -4 },
              { 10069, 10, -4 },
              { 13869, 10, -4 },
              { 20069, 10, -4 },
              { 26269, 10, -4 },
              { -18031, 10, -4 },
              { -32252, 10, -4 },
              { -37621, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                wavy,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                2,
                2,
                2,
                3,
                3,
                6,
                7,
                7,
                9,
                9,
                10,
                11,
                12,
                14,
                15,
                18,
                19
              },
              aid2 {
                8,
                10,
                15,
                8,
                13,
                4,
                8,
                11,
                12,
                14,
                13,
                16,
                18,
                19,
                16,
                22,
                22
              }
            }
          }
        }
      }
    },
    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 "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 443, 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 3
      },
      {
        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 3
      },
      {
        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 '00000371E07BA0000000000000000000000000000001600000003C40
0000000000005801F000001E00100000000C28C19F043FB09F4C1800A8033777740082802D3512
A009D8A13874D88868F2C0DD91942108688002C8C9A71C88C08E80000200001000000000040000
200000000000000000'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 "2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3
-methyl-benzamide"
      },
      {
        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 "2-[amino-(2,3-dimethyl-8-imidazo[1,2-a]pyridinyl)methyl]-3
-methylbenzamide"
      },
      {
        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 "2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3
-methylbenzamide"
      },
      {
        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 "2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3
-methylbenzamide"
      },
      {
        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 "2-[azanyl-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-
3-methyl-benzamide"
      },
      {
        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 "2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3
-methyl-benzamide"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C18H20N4O/c1-10-6-4-7-13(17(20)23)15(10)16(19)14-
8-5-9-22-12(3)11(2)21-18(14)22/h4-9,16H,19H2,1-3H3,(H2,20,23)"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "VOCNROINAGZYTH-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 { 24, 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 "308.16371127"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C18H20N4O"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "308.4"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "CC1=C(C(=CC=C1)C(=O)N)C(C2=CC=CN3C2=NC(=C3C)C)N"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "CC1=C(C(=CC=C1)C(=O)N)C(C2=CC=CN3C2=NC(=C3C)C)N"
      },
      {
        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 { 864, 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 "308.16371127"
      }
    },
    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
    }
  }
}