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              221,
              200,
              273,
              216,
              9,
              123,
              342,
              179,
              44,
              283,
              333,
              40,
              337,
              77,
              164,
              187,
              67,
              45,
              36,
              352,
              55,
              169,
              312,
              102,
              349,
              78,
              284,
              228,
              81,
              57,
              368,
              219,
              203,
              163,
              323,
              82,
              56,
              250,
              264,
              52,
              202,
              322,
              361,
              330,
              185,
              363,
              167,
              365,
              156,
              21,
              136,
              69,
              22,
              374,
              171,
              313,
              364,
              256,
              35,
              320,
              285,
              24,
              121,
              367,
              201,
              48,
              316,
              193,
              31,
              344,
              279,
              236,
              113,
              227,
              253,
              39,
              166,
              33,
              109,
              58,
              257,
              328,
              306,
              244,
              343,
              90,
              91,
              159,
              85,
              146,
              144,
              347,
              148,
              124,
              87,
              37,
              282,
              268,
              319,
              111,
              205,
              261,
              15,
              32,
              63,
              114,
              325,
              98,
              314,
              117,
              88,
              225,
              61,
              334,
              94,
              197,
              17,
              65,
              248,
              73,
              155,
              238,
              317,
              104,
              157,
              373,
              190,
              129,
              4,
              335,
              260,
              126,
              25,
              196,
              311,
              208,
              170,
              332,
              348,
              237,
              128,
              12,
              140,
              240,
              152,
              108,
              147,
              182,
              23,
              29,
              13,
              50,
              307,
              112,
              292,
              34,
              110,
              100,
              26,
              341,
              331,
              137,
              310,
              30,
              174,
              172,
              207,
              351,
              93,
              246,
              79,
              178,
              62,
              252,
              59,
              130,
              269,
              175,
              223,
              293,
              359,
              326,
              254,
              241,
              356,
              86,
              321,
              70,
              153,
              28,
              2,
              277,
              263,
              3,
              215,
              165,
              265,
              72,
              245,
              51,
              302,
              143,
              11,
              234,
              224,
              115,
              340,
              19,
              232,
              5,
              195,
              281,
              20,
              299,
              372,
              14,
              8,
              131,
              308,
              242,
              119,
              75,
              191,
              287,
              177,
              145,
              327,
              181,
              142,
              255,
              375,
              192,
              275,
              204,
              296,
              127,
              305,
              173,
              303,
              209,
              290,
              68,
              272,
              10,
              362,
              151,
              291,
              66,
              101,
              132,
              233,
              218,
              266,
              258,
              371,
              18,
              96,
              118,
              106,
              27,
              41,
              243,
              231,
              370,
              286
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "47",
          "1 -0.19",
          "10 0.06",
          "11 0.14",
          "13 0.3",
          "14 0.3",
          "15 0.57",
          "17 0.3",
          "18 -0.14",
          "19 0.3",
          "2 -0.57",
          "20 0.57",
          "21 0.36",
          "22 -0.15",
          "23 -0.15",
          "26 0.18",
          "27 -0.15",
          "28 -0.15",
          "29 -0.18",
          "3 -0.57",
          "30 0.19",
          "32 0.57",
          "34 -0.3",
          "35 0.33",
          "36 -0.15",
          "37 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "5 -0.66",
          "56 0.15",
          "57 0.15",
          "6 -0.66",
          "65 0.15",
          "66 0.15",
          "67 0.37",
          "7 -0.73",
          "71 0.15",
          "72 0.27",
          "73 0.15",
          "8 0.03",
          "80 0.15",
          "81 0.36",
          "82 0.36",
          "83 0.15",
          "84 0.15",
          "9 -0.99"
        }
      },
      {
        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 { 106, 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 {
          "16",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 31 hydrophobe",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 cation",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "3 19 24 25 hydrophobe",
          "3 35 38 39 hydrophobe",
          "5 5 10 11 14 15 rings",
          "5 8 29 33 34 36 rings",
          "6 18 22 23 27 28 30 rings",
          "6 33 36 37 40 41 42 rings",
          "6 6 10 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 4,
      atom-chiral-def 1,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}