PC-Compounds ::= {
  {
    id {
      id cid 59990157
    },
    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
      },
      element {
        o,
        n,
        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,
        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,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
        18,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        22,
        23,
        23,
        24,
        24,
        24,
        25,
        26,
        26,
        26,
        27,
        27,
        27
      },
      aid2 {
        17,
        3,
        7,
        37,
        12,
        5,
        6,
        15,
        8,
        11,
        7,
        18,
        14,
        19,
        24,
        10,
        16,
        20,
        17,
        23,
        14,
        28,
        13,
        17,
        16,
        26,
        29,
        21,
        30,
        31,
        32,
        33,
        34,
        21,
        35,
        22,
        36,
        38,
        25,
        27,
        25,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      order {
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      planar {
        left 3,
        ltop -1,
        lbottom 2,
        right 12,
        rtop 13,
        rbottom 17,
        parity any,
        type planar
      }
    },
    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
        },
        conformers {
          {
            x {
              { 89962, 10, -4 },
              { 63981, 10, -4 },
              { 72641, 10, -4 },
              { 38, 10, -1 },
              { 38, 10, -1 },
              { 4666, 10, -3 },
              { 55321, 10, -4 },
              { 29061, 10, -4 },
              { 98622, 10, -4 },
              { 98622, 10, -4 },
              { 4666, 10, -3 },
              { 81301, 10, -4 },
              { 81301, 10, -4 },
              { 55321, 10, -4 },
              { 29061, 10, -4 },
              { 89962, 10, -4 },
              { 89962, 10, -4 },
              { 4666, 10, -3 },
              { 2, 10, 0 },
              { 107561, 10, -4 },
              { 2, 10, 0 },
              { 116622, 10, -4 },
              { 107561, 10, -4 },
              { 29176, 10, -4 },
              { 116622, 10, -4 },
              { 72641, 10, -4 },
              { 125263, 10, -4 },
              { 4666, 10, -3 },
              { 6069, 10, -3 },
              { 29132, 10, -4 },
              { 89962, 10, -4 },
              { 5286, 10, -3 },
              { 4666, 10, -3 },
              { 4046, 10, -3 },
              { 14643, 10, -4 },
              { 10749, 10, -3 },
              { 63981, 10, -4 },
              { 14643, 10, -4 },
              { 10749, 10, -3 },
              { 22977, 10, -4 },
              { 29248, 10, -4 },
              { 35376, 10, -4 },
              { 121979, 10, -4 },
              { 75741, 10, -4 },
              { 67272, 10, -4 },
              { 69541, 10, -4 },
              { 128384, 10, -4 },
              { 13062, 10, -3 },
              { 122142, 10, -4 }
            },
            y {
              { -75, 10, -2 },
              { 75, 10, -2 },
              { 25, 10, -2 },
              { 25, 10, -2 },
              { -75, 10, -2 },
              { 75, 10, -2 },
              { 25, 10, -2 },
              { -12847, 10, -4 },
              { 175, 10, -2 },
              { 75, 10, -2 },
              { -125, 10, -2 },
              { 75, 10, -2 },
              { 175, 10, -2 },
              { -75, 10, -2 },
              { 7846, 10, -4 },
              { 225, 10, -2 },
              { 25, 10, -2 },
              { 175, 10, -2 },
              { -7708, 10, -4 },
              { 22846, 10, -4 },
              { 2708, 10, -4 },
              { 17708, 10, -4 },
              { 2153, 10, -4 },
              { -22846, 10, -4 },
              { 7292, 10, -4 },
              { 225, 10, -2 },
              { 22741, 10, -4 },
              { -187, 10, -2 },
              { -106, 10, -2 },
              { 14046, 10, -4 },
              { 287, 10, -2 },
              { 175, 10, -2 },
              { 237, 10, -2 },
              { 175, 10, -2 },
              { -10829, 10, -4 },
              { 29046, 10, -4 },
              { 137, 10, -2 },
              { 5828, 10, -4 },
              { -4047, 10, -4 },
              { -22918, 10, -4 },
              { -29046, 10, -4 },
              { -22775, 10, -4 },
              { 4171, 10, -4 },
              { 27869, 10, -4 },
              { 256, 10, -2 },
              { 1713, 10, -3 },
              { 17384, 10, -4 },
              { 25862, 10, -4 },
              { 28098, 10, -4 }
            },
            style {
              annotation {
                crossed,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                3,
                4,
                4,
                4,
                5,
                5,
                6,
                7,
                8,
                9,
                9,
                10,
                11,
                15,
                19,
                20,
                22,
                23
              },
              aid2 {
                12,
                5,
                6,
                15,
                8,
                11,
                7,
                14,
                19,
                10,
                20,
                23,
                14,
                21,
                21,
                22,
                25,
                25
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2012.05.21"
        },
        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 { 636, 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 3
      },
      {
        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 1
      },
      {
        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 '00000371E07B20000000000000000000000000000000000000003060
C1000000000000C15400001E00180000000C0C81980032C0C0620000A803A47240009204002402
001888012064D808203280959180210060980008C9871888C08EC8000240001200009000048000
240000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-[(1,5-dimethyl-2-naphthyl)hydrazono]-3,6-dimethyl-naphth
alen-1-one"
      },
      {
        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 "2-[(1,5-dimethyl-2-naphthalenyl)hydrazinylidene]-3,6-dimet
hyl-1-naphthalenone"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-[(1,5-dimethylnaphthalen-2-yl)hydrazinylidene]-3,6-dimet
hylnaphthalen-1-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-[(1,5-dimethylnaphthalen-2-yl)hydrazinylidene]-3,6-dimet
hylnaphthalen-1-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-[(1,5-dimethylnaphthalen-2-yl)hydrazinylidene]-3,6-dimet
hyl-naphthalen-1-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "2-[(1,5-dimethyl-2-naphthyl)hydrazono]-3,6-dimethyl-naphth
alen-1-one"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C24H22N2O/c1-14-8-9-21-18(12-14)13-16(3)23(24(21)
27)26-25-22-11-10-19-15(2)6-5-7-20(19)17(22)4/h5-13,25H,1-4H3"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "KUWKWBQZJIDQOF-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2019.06.18"
        },
        value fval { 64, 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 "354.173213330"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C24H22N2O"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "354.4"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C4=CC=CC(=C4C=C3)C)C)C(=C2)C"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C4=CC=CC(=C4C=C3)C)C)C(=C2)C"
      },
      {
        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 { 415, 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 "354.173213330"
      }
    },
    count {
      heavy-atom 27,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers -1
    }
  }
}