PC-Compounds ::= {
  {
    id {
      id cid 14852
    },
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        2,
        3,
        4,
        5,
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        9,
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      }
    },
    bonds {
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      },
      order {
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        single,
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        single,
        double,
        single,
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      }
    },
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        type {
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        },
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16
        },
        conformers {
          {
            x {
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              { 23544, 10, -4 },
              { -11954, 10, -4 },
              { -469, 10, -4 },
              { -10841, 10, -4 },
              { 1213, 10, -3 },
              { -25651, 10, -4 },
              { 1756, 10, -4 },
              { 13242, 10, -4 },
              { -19673, 10, -4 },
              { -27177, 10, -4 },
              { -27175, 10, -4 },
              { -33464, 10, -4 },
              { 2625, 10, -4 },
              { 23023, 10, -4 },
              { 21042, 10, -4 }
            },
            y {
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              { -8871, 10, -4 },
              { 514, 10, -4 },
              { -7403, 10, -4 },
              { 14418, 10, -4 },
              { -1415, 10, -4 },
              { -5474, 10, -4 },
              { 20405, 10, -4 },
              { 1249, 10, -3 },
              { 2075, 10, -3 },
              { -11605, 10, -4 },
              { -11605, 10, -4 },
              { 2207, 10, -4 },
              { 31232, 10, -4 },
              { 17225, 10, -4 },
              { -18272, 10, -4 }
            },
            z {
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              { 0, 10, 0 },
              { 0, 10, 0 },
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              { 1, 10, -4 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { -8943, 10, -4 },
              { 8945, 10, -4 },
              { 3, 10, -4 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 2, 10, -4 }
            },
            data {
              {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00003A0400000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 208098, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 10148, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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                  "241688 4 18338798909778083489",
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                  "29004967 10 18263083369588186377",
                  "5084963 1 18202845443812453547",
                  "66348 1 18410011013802529091"
                }
              },
              {
                urn {
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                  version "1.8.1",
                  software "OEShape",
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                  release "2012.01.18"
                },
                value fvec {
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                  { 236, 10, -2 },
                  { 61, 10, -2 },
                  { 65, 10, -2 },
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                  { 0, 10, 0 },
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              },
              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 367884, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 107, 10, 0 }
              }
            }
          }
        },
        data {
          {
            urn {
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          {
            urn {
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              release "2010.05.05"
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            value ivec {
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    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "10 0.15",
          "14 0.15",
          "15 0.15",
          "16 0.45",
          "2 -0.53",
          "3 -0.14",
          "4 0.18",
          "5 -0.15",
          "6 0.08",
          "7 0.14",
          "8 -0.15",
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        }
      },
      {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 0, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "2",
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          "6 3 4 5 6 8 9 rings"
        }
      }
    },
    count {
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      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 9
    }
  }
}