0 B8R1.2 CNc1ccncn1 WXDL_LN01985689_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 1 B8R1.2 CNc1ccncn1 WXDL_WXCD00610088_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 2 B8R1.2 CNc1ccncn1 WXDL_WXCD00611001_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 3 B8R1.2 CNc1ccncn1 WXDL_WXCD00611199_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 4 B8R1.2 CNc1ccncn1 WXDL_WXCD00611670_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 5 B8R1.2 CNc1ccncn1 WXDL_WXCD00611671_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 6 B8R1.2 CNc1ccncn1 WXDL_WXCD00905463_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 7 B8R1.2 CNc1ccncn1 WXDL_WXCD01004270_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 8 B8R1.2 CNc1ccncn1 WXDL_WXCD02002292_AN4223_LP3358 [0,1,0,0,0,1|1,0,0]=3 9 B8R1.2 CNc1ncccn1 WXDL_LN01985689_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 10 B8R1.2 CNc1ncccn1 WXDL_WXCD00610088_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 11 B8R1.2 CNc1ncccn1 WXDL_WXCD00611001_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 12 B8R1.2 CNc1ncccn1 WXDL_WXCD00611199_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 13 B8R1.2 CNc1ncccn1 WXDL_WXCD00611670_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 14 B8R1.2 CNc1ncccn1 WXDL_WXCD00611671_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 15 B8R1.2 CNc1ncccn1 WXDL_WXCD00905463_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 16 B8R1.2 CNc1ncccn1 WXDL_WXCD01004270_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 17 B8R1.2 CNc1ncccn1 WXDL_WXCD02002292_AN4223_LP0002 [0,1,0,0,0,1|1,0,0]=3 18 B8R1.8 CNCc1cc[nH]c1 WXDL_LN01985689_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 19 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00610088_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 20 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611001_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 21 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611199_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 22 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611670_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 23 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611671_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 24 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00905463_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 25 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD01004270_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 26 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD02002292_AN4223_QS1121 [0,2,0,0,0,0|2,0,0]=4 27 B8R1.8 CNCc1ccc[nH]1 WXDL_LN01985689_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 28 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00610088_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 29 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611001_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 30 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611199_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 31 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611670_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 32 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611671_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 33 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00905463_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 34 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD01004270_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 35 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD02002292_AN4223_QS0096 [0,2,0,0,0,0|1,0,0]=3 36 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 37 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 38 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 39 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 40 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 41 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 42 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 43 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 44 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [0,2,0,0,0,0|0,1,0]=3 45 B8R1.8 CNCc1ccn[nH]1 WXDL_LN01985689_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00610088_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 47 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611001_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611199_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611670_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 50 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611671_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 51 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00905463_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 52 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD01004270_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD02002292_AN4223_QS0363 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.8 CNCc1ccsc1 WXDL_LN01985689_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.8 CNCc1ccsc1 WXDL_WXCD00610088_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611001_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611199_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611670_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611671_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.8 CNCc1ccsc1 WXDL_WXCD00905463_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.8 CNCc1ccsc1 WXDL_WXCD01004270_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.8 CNCc1ccsc1 WXDL_WXCD02002292_AN4223_QS0101 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.8 CNCc1cnc[nH]1 WXDL_LN01985689_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00610088_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611001_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611199_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611670_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611671_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00905463_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 70 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD01004270_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 71 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD02002292_AN4223_QS0332 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.8 CNCc1cnco1 WXDL_LN01985689_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 73 B8R1.8 CNCc1cnco1 WXDL_WXCD00610088_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.8 CNCc1cnco1 WXDL_WXCD00611001_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.8 CNCc1cnco1 WXDL_WXCD00611199_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.8 CNCc1cnco1 WXDL_WXCD00611670_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.8 CNCc1cnco1 WXDL_WXCD00611671_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.8 CNCc1cnco1 WXDL_WXCD00905463_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.8 CNCc1cnco1 WXDL_WXCD01004270_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.8 CNCc1cnco1 WXDL_WXCD02002292_AN4223_QS1170 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.8 CNCc1cncs1 WXDL_LN01985689_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 82 B8R1.8 CNCc1cncs1 WXDL_WXCD00610088_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 83 B8R1.8 CNCc1cncs1 WXDL_WXCD00611001_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 84 B8R1.8 CNCc1cncs1 WXDL_WXCD00611199_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 85 B8R1.8 CNCc1cncs1 WXDL_WXCD00611670_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 86 B8R1.8 CNCc1cncs1 WXDL_WXCD00611671_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 87 B8R1.8 CNCc1cncs1 WXDL_WXCD00905463_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 88 B8R1.8 CNCc1cncs1 WXDL_WXCD01004270_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 89 B8R1.8 CNCc1cncs1 WXDL_WXCD02002292_AN4223_QS0291 [0,2,0,0,0,0|1,1,0]=4 90 B8R1.8 CNCc1cocn1 WXDL_LN01985689_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.8 CNCc1cocn1 WXDL_WXCD00610088_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.8 CNCc1cocn1 WXDL_WXCD00611001_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 93 B8R1.8 CNCc1cocn1 WXDL_WXCD00611199_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.8 CNCc1cocn1 WXDL_WXCD00611670_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.8 CNCc1cocn1 WXDL_WXCD00611671_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.8 CNCc1cocn1 WXDL_WXCD00905463_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 97 B8R1.8 CNCc1cocn1 WXDL_WXCD01004270_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.8 CNCc1cocn1 WXDL_WXCD02002292_AN4223_QS1213 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.8 CNCc1cscn1 WXDL_LN01985689_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.8 CNCc1cscn1 WXDL_WXCD00610088_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.8 CNCc1cscn1 WXDL_WXCD00611001_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.8 CNCc1cscn1 WXDL_WXCD00611199_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 103 B8R1.8 CNCc1cscn1 WXDL_WXCD00611670_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.8 CNCc1cscn1 WXDL_WXCD00611671_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.8 CNCc1cscn1 WXDL_WXCD00905463_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.8 CNCc1cscn1 WXDL_WXCD01004270_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.8 CNCc1cscn1 WXDL_WXCD02002292_AN4223_QS0435 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.8 CNCc1ncc[nH]1 WXDL_LN01985689_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00610088_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611001_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611199_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611670_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611671_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00905463_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD01004270_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD02002292_AN4223_QS0090 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.8 CNCc1ncco1 WXDL_LN01985689_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.8 CNCc1ncco1 WXDL_WXCD00610088_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.8 CNCc1ncco1 WXDL_WXCD00611001_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.8 CNCc1ncco1 WXDL_WXCD00611199_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.8 CNCc1ncco1 WXDL_WXCD00611670_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 122 B8R1.8 CNCc1ncco1 WXDL_WXCD00611671_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.8 CNCc1ncco1 WXDL_WXCD00905463_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.8 CNCc1ncco1 WXDL_WXCD01004270_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.8 CNCc1ncco1 WXDL_WXCD02002292_AN4223_QS1188 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.8 CNCc1nccs1 WXDL_LN01985689_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 127 B8R1.8 CNCc1nccs1 WXDL_WXCD00610088_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 128 B8R1.8 CNCc1nccs1 WXDL_WXCD00611001_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 129 B8R1.8 CNCc1nccs1 WXDL_WXCD00611199_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 130 B8R1.8 CNCc1nccs1 WXDL_WXCD00611670_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 131 B8R1.8 CNCc1nccs1 WXDL_WXCD00611671_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 132 B8R1.8 CNCc1nccs1 WXDL_WXCD00905463_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 133 B8R1.8 CNCc1nccs1 WXDL_WXCD01004270_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4 134 B8R1.8 CNCc1nccs1 WXDL_WXCD02002292_AN4223_QS0189 [0,2,0,0,0,0|1,1,0]=4