PC-Compound ::= {
  id {
    id cid 6827918
  },
  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
    },
    element {
      o,
      n,
      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,
      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,
      3,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      7,
      8,
      9,
      9,
      10,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
      14,
      14,
      15,
      16,
      16,
      16,
      17,
      17,
      18,
      18,
      19,
      19,
      20,
      21,
      23,
      23,
      24,
      24,
      25,
      25,
      26,
      26,
      27
    },
    aid2 {
      22,
      7,
      8,
      4,
      10,
      36,
      22,
      41,
      6,
      7,
      9,
      8,
      10,
      11,
      12,
      14,
      28,
      29,
      15,
      30,
      31,
      32,
      33,
      17,
      18,
      19,
      15,
      34,
      35,
      20,
      21,
      22,
      23,
      24,
      20,
      37,
      21,
      38,
      39,
      40,
      25,
      42,
      26,
      43,
      27,
      44,
      27,
      45,
      46
    },
    order {
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    planar {
      left 6,
      ltop 5,
      lbottom 8,
      right 10,
      rtop 3,
      rbottom 29,
      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
      },
      conformers {
        {
          x {
            { 79244, 10, -4 },
            { 46783, 10, -4 },
            { 59674, 10, -4 },
            { 62781, 10, -4 },
            { 3732, 10, -3 },
            { 46783, 10, -4 },
            { 3732, 10, -3 },
            { 52619, 10, -4 },
            { 2866, 10, -3 },
            { 49889, 10, -4 },
            { 2866, 10, -3 },
            { 62619, 10, -4 },
            { 81886, 10, -4 },
            { 2, 10, 0 },
            { 2, 10, 0 },
            { 75673, 10, -4 },
            { 84993, 10, -4 },
            { 72101, 10, -4 },
            { 88564, 10, -4 },
            { 68994, 10, -4 },
            { 85458, 10, -4 },
            { 72566, 10, -4 },
            { 94778, 10, -4 },
            { 78314, 10, -4 },
            { 97884, 10, -4 },
            { 81421, 10, -4 },
            { 91206, 10, -4 },
            { 2866, 10, -3 },
            { 45749, 10, -4 },
            { 2866, 10, -3 },
            { 62619, 10, -4 },
            { 68819, 10, -4 },
            { 62619, 10, -4 },
            { 14631, 10, -4 },
            { 14631, 10, -4 },
            { 63815, 10, -4 },
            { 6796, 10, -3 },
            { 94631, 10, -4 },
            { 62928, 10, -4 },
            { 89598, 10, -4 },
            { 5864, 10, -3 },
            { 98918, 10, -4 },
            { 72247, 10, -4 },
            { 103951, 10, -4 },
            { 7728, 10, -3 },
            { 93132, 10, -4 }
          },
          y {
            { -15368, 10, -4 },
            { -47154, 10, -4 },
            { -19492, 10, -4 },
            { -9987, 10, -4 },
            { -34107, 10, -4 },
            { -31059, 10, -4 },
            { -44107, 10, -4 },
            { -39107, 10, -4 },
            { -29107, 10, -4 },
            { -21554, 10, -4 },
            { -49107, 10, -4 },
            { -39107, 10, -4 },
            { 20591, 10, -4 },
            { -34107, 10, -4 },
            { -44107, 10, -4 },
            { 1581, 10, -4 },
            { 30096, 10, -4 },
            { 18529, 10, -4 },
            { 13148, 10, -4 },
            { 9024, 10, -4 },
            { 3643, 10, -4 },
            { -7925, 10, -4 },
            { 32158, 10, -4 },
            { 37539, 10, -4 },
            { 41664, 10, -4 },
            { 47044, 10, -4 },
            { 49107, 10, -4 },
            { -22907, 10, -4 },
            { -1694, 10, -3 },
            { -55307, 10, -4 },
            { -45307, 10, -4 },
            { -39107, 10, -4 },
            { -32907, 10, -4 },
            { -31007, 10, -4 },
            { -47207, 10, -4 },
            { -24107, 10, -4 },
            { 23144, 10, -4 },
            { 14427, 10, -4 },
            { 7745, 10, -4 },
            { -972, 10, -4 },
            { -5372, 10, -4 },
            { 27544, 10, -4 },
            { 36261, 10, -4 },
            { 42942, 10, -4 },
            { 51659, 10, -4 },
            { 55, 10, -1 }
          },
          style {
            annotation {
              aromatic,
              aromatic,
              crossed,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic
            },
            aid1 {
              5,
              5,
              6,
              7,
              9,
              11,
              13,
              13,
              14,
              16,
              16,
              17,
              17,
              18,
              19,
              23,
              24,
              25,
              26
            },
            aid2 {
              7,
              9,
              10,
              11,
              14,
              15,
              18,
              19,
              15,
              20,
              21,
              23,
              24,
              20,
              21,
              25,
              26,
              27,
              27
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2011.04.04"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 582, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 3
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 2
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 4
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value binary '00000371E07B20000000000000000000000000000001000000003060C0
000000000040015000001E00180000000C08C1980432C082620000A80325765400820000240202
1AA8813064D808203280959180210060800008C9871888C08EC000000000020000800000000004
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "N'-[(2-methylindol-3-ylidene)methyl]-4-phenyl-benzohydrazide"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "N'-[(2-methyl-3-indolylidene)methyl]-4-phenylbenzohydrazide"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "N'-[(2-methylindol-3-ylidene)methyl]-4-phenylbenzohydrazide"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "N'-[(2-methylindol-3-ylidene)methyl]-4-phenyl-benzohydrazide"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "N'-[(2-methylindol-3-ylidene)methyl]-4-phenyl-benzohydrazide"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C23H19N3O/c1-16-21(20-9-5-6-10-22(20)25-16)15-24-26
-23(27)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-15,24H,1H3,(H,26,27)"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "MFPZZTLLMPHYCZ-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { 44, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 353152812, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C23H19N3O"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 35341646, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "CC1=NC2=CC=CC=C2C1=CNNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "CC1=NC2=CC=CC=C2C1=CNNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 535, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 353152812, 10, -6 }
    }
  },
  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 6
  }
}