PC-Compounds ::= {
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "40",
          "1 0.24",
          "10 0.27",
          "11 0.27",
          "14 0.37",
          "15 0.37",
          "19 0.1",
          "2 -0.57",
          "21 0.06",
          "23 -0.15",
          "24 -0.15",
          "25 0.42",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 0.09",
          "3 -0.5",
          "30 -0.15",
          "31 -0.15",
          "32 0.12",
          "33 -0.15",
          "34 0.06",
          "35 0.19",
          "36 0.69",
          "4 -0.57",
          "5 -0.81",
          "6 -0.84",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.55",
          "70 0.15",
          "71 0.37",
          "75 0.37",
          "76 0.37",
          "8 -0.8",
          "9 0.27"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 152, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "12",
          "1 2 acceptor",
          "1 22 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 6 cation",
          "1 7 donor",
          "1 8 donor",
          "4 12 16 18 21 hydrophobe",
          "6 19 23 24 26 27 28 rings",
          "6 29 30 31 32 33 34 rings",
          "6 5 6 10 11 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 36,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}