0 B8R1.8 CNCc1cc[nH]c1 WXDL_LN01985689_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 1 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00610088_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 2 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611001_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611199_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611670_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611671_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00905463_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD01004270_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD02002292_AN4223_QS1121 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 CNCc1ccc[nH]1 WXDL_LN01985689_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00610088_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611001_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611199_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611670_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611671_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00905463_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD01004270_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD02002292_AN4223_QS0096 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 19 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 20 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 22 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 23 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 24 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 25 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 26 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [1,0,0,0,0,0|1,1,0]=3 27 B8R1.8 CNCc1ccn[nH]1 WXDL_LN01985689_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00610088_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611001_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611199_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611670_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611671_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00905463_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD01004270_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD02002292_AN4223_QS0363 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.8 CNCc1ccsc1 WXDL_LN01985689_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.8 CNCc1ccsc1 WXDL_WXCD00610088_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611001_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611199_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611670_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611671_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.8 CNCc1ccsc1 WXDL_WXCD00905463_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.8 CNCc1ccsc1 WXDL_WXCD01004270_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.8 CNCc1ccsc1 WXDL_WXCD02002292_AN4223_QS0101 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.8 CNCc1cnc[nH]1 WXDL_LN01985689_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00610088_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611001_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611199_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611670_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611671_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00905463_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD01004270_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD02002292_AN4223_QS0332 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.8 CNCc1cnco1 WXDL_LN01985689_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.8 CNCc1cnco1 WXDL_WXCD00610088_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.8 CNCc1cnco1 WXDL_WXCD00611001_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.8 CNCc1cnco1 WXDL_WXCD00611199_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.8 CNCc1cnco1 WXDL_WXCD00611670_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.8 CNCc1cnco1 WXDL_WXCD00611671_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.8 CNCc1cnco1 WXDL_WXCD00905463_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.8 CNCc1cnco1 WXDL_WXCD01004270_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.8 CNCc1cnco1 WXDL_WXCD02002292_AN4223_QS1170 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.8 CNCc1cncs1 WXDL_LN01985689_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 64 B8R1.8 CNCc1cncs1 WXDL_WXCD00610088_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 65 B8R1.8 CNCc1cncs1 WXDL_WXCD00611001_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 66 B8R1.8 CNCc1cncs1 WXDL_WXCD00611199_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 67 B8R1.8 CNCc1cncs1 WXDL_WXCD00611670_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.8 CNCc1cncs1 WXDL_WXCD00611671_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.8 CNCc1cncs1 WXDL_WXCD00905463_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.8 CNCc1cncs1 WXDL_WXCD01004270_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 71 B8R1.8 CNCc1cncs1 WXDL_WXCD02002292_AN4223_QS0291 [1,0,0,0,0,0|2,1,0]=4 72 B8R1.8 CNCc1cocn1 WXDL_LN01985689_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.8 CNCc1cocn1 WXDL_WXCD00610088_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.8 CNCc1cocn1 WXDL_WXCD00611001_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.8 CNCc1cocn1 WXDL_WXCD00611199_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.8 CNCc1cocn1 WXDL_WXCD00611670_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.8 CNCc1cocn1 WXDL_WXCD00611671_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.8 CNCc1cocn1 WXDL_WXCD00905463_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.8 CNCc1cocn1 WXDL_WXCD01004270_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.8 CNCc1cocn1 WXDL_WXCD02002292_AN4223_QS1213 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.8 CNCc1cscn1 WXDL_LN01985689_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.8 CNCc1cscn1 WXDL_WXCD00610088_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.8 CNCc1cscn1 WXDL_WXCD00611001_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.8 CNCc1cscn1 WXDL_WXCD00611199_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.8 CNCc1cscn1 WXDL_WXCD00611670_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.8 CNCc1cscn1 WXDL_WXCD00611671_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.8 CNCc1cscn1 WXDL_WXCD00905463_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.8 CNCc1cscn1 WXDL_WXCD01004270_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.8 CNCc1cscn1 WXDL_WXCD02002292_AN4223_QS0435 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.8 CNCc1ncc[nH]1 WXDL_LN01985689_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00610088_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611001_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611199_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611670_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611671_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00905463_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD01004270_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD02002292_AN4223_QS0090 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.8 CNCc1ncco1 WXDL_LN01985689_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.8 CNCc1ncco1 WXDL_WXCD00610088_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.8 CNCc1ncco1 WXDL_WXCD00611001_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.8 CNCc1ncco1 WXDL_WXCD00611199_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.8 CNCc1ncco1 WXDL_WXCD00611670_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.8 CNCc1ncco1 WXDL_WXCD00611671_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.8 CNCc1ncco1 WXDL_WXCD00905463_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.8 CNCc1ncco1 WXDL_WXCD01004270_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.8 CNCc1ncco1 WXDL_WXCD02002292_AN4223_QS1188 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.8 CNCc1nccs1 WXDL_LN01985689_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 109 B8R1.8 CNCc1nccs1 WXDL_WXCD00610088_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 110 B8R1.8 CNCc1nccs1 WXDL_WXCD00611001_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 111 B8R1.8 CNCc1nccs1 WXDL_WXCD00611199_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 112 B8R1.8 CNCc1nccs1 WXDL_WXCD00611670_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 113 B8R1.8 CNCc1nccs1 WXDL_WXCD00611671_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 114 B8R1.8 CNCc1nccs1 WXDL_WXCD00905463_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 115 B8R1.8 CNCc1nccs1 WXDL_WXCD01004270_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 116 B8R1.8 CNCc1nccs1 WXDL_WXCD02002292_AN4223_QS0189 [1,0,0,0,0,0|2,1,0]=4 117 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_LN01985689_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00610088_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611001_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611199_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611670_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611671_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00905463_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD01004270_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD02002292_AN4223_QS1573 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.7 CNCc1cc(c[nH]1)I WXDL_LN01985689_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00610088_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611001_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611199_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611670_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 131 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611671_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00905463_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD01004270_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD02002292_AN4223_QS1506 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.7 CNCc1cc(co1)Br WXDL_LN01985689_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 136 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00610088_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 137 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611001_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 138 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611199_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 139 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611670_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611671_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00905463_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 142 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD01004270_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD02002292_AN4223_QS1888 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.7 CNCc1cc(cs1)Br WXDL_LN01985689_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 145 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00610088_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 146 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611001_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 147 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611199_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 148 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611670_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 149 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611671_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 150 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00905463_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 151 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD01004270_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 152 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD02002292_AN4223_QS0099 [1,1,0,0,0,0|1,1,0]=4 153 B9R1.7 CNCc1cc(cs1)C WXDL_LN01985689_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 154 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00610088_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 155 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611001_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 156 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611199_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 157 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611670_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 158 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611671_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 159 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00905463_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 160 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD01004270_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 161 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD02002292_AN4223_QS0366 [1,1,0,0,0,0|1,1,0]=4 162 B9R1.7 CNCc1ccc([nH]1)Br WXDL_LN01985689_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00610088_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611001_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611199_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611670_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611671_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00905463_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD01004270_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD02002292_AN4223_QS1848 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.7 CNCc1ccc([nH]1)C WXDL_LN01985689_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00610088_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611001_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611199_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611670_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611671_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00905463_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD01004270_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD02002292_AN4223_QS0294 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.7 CNCc1ccc(o1)Br WXDL_LN01985689_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00610088_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611001_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611199_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 184 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611670_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611671_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 186 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00905463_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD01004270_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 188 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD02002292_AN4223_QS0666 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.7 CNCc1ccc(o1)C WXDL_LN01985689_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00610088_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 191 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611001_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611199_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611670_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611671_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00905463_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD01004270_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD02002292_AN4223_QS0017 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.7 CNCc1ccc(o1)Cl WXDL_LN01985689_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00610088_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 200 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611001_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611199_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611670_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611671_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00905463_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD01004270_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD02002292_AN4223_QS2045 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.7 CNCc1ccc(o1)I WXDL_LN01985689_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00610088_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611001_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611199_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611670_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611671_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00905463_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD01004270_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD02002292_AN4223_QS0665 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.7 CNCc1ccc(s1)Br WXDL_LN01985689_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 217 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00610088_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 218 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611001_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 219 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611199_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 220 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611670_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 221 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611671_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 222 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00905463_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 223 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD01004270_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 224 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD02002292_AN4223_QS0447 [1,1,0,0,0,0|1,1,0]=4 225 B9R1.7 CNCc1ccc(s1)C WXDL_LN01985689_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 226 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00610088_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 227 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611001_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 228 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611199_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 229 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611670_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 230 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611671_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 231 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00905463_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 232 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD01004270_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 233 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD02002292_AN4223_QS0100 [1,1,0,0,0,0|1,1,0]=4 234 B9R1.7 CNCc1ccc(s1)Cl WXDL_LN01985689_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 235 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00610088_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 236 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611001_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 237 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611199_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 238 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611670_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 239 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611671_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 240 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00905463_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 241 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD01004270_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 242 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD02002292_AN4223_QS0170 [1,1,0,0,0,0|1,1,0]=4 243 B9R1.33 CNCc1cccn1C WXDL_LN01985689_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.33 CNCc1cccn1C WXDL_WXCD00610088_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.33 CNCc1cccn1C WXDL_WXCD00611001_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.33 CNCc1cccn1C WXDL_WXCD00611199_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.33 CNCc1cccn1C WXDL_WXCD00611670_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.33 CNCc1cccn1C WXDL_WXCD00611671_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.33 CNCc1cccn1C WXDL_WXCD00905463_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.33 CNCc1cccn1C WXDL_WXCD01004270_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.33 CNCc1cccn1C WXDL_WXCD02002292_AN4223_QS0015 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.33 CNCc1occc1Br WXDL_LN01985689_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.33 CNCc1occc1Br WXDL_WXCD00610088_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.33 CNCc1occc1Br WXDL_WXCD00611001_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.33 CNCc1occc1Br WXDL_WXCD00611199_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.33 CNCc1occc1Br WXDL_WXCD00611670_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.33 CNCc1occc1Br WXDL_WXCD00611671_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.33 CNCc1occc1Br WXDL_WXCD00905463_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.33 CNCc1occc1Br WXDL_WXCD01004270_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.33 CNCc1occc1Br WXDL_WXCD02002292_AN4223_QS1403 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.33 CNCc1sccc1Br WXDL_LN01985689_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 262 B9R1.33 CNCc1sccc1Br WXDL_WXCD00610088_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 263 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611001_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 264 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611199_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 265 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611670_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 266 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611671_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 267 B9R1.33 CNCc1sccc1Br WXDL_WXCD00905463_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 268 B9R1.33 CNCc1sccc1Br WXDL_WXCD01004270_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 269 B9R1.33 CNCc1sccc1Br WXDL_WXCD02002292_AN4223_QS0779 [1,1,0,0,0,0|1,1,0]=4 270 B9R1.33 CNCc1sccc1C WXDL_LN01985689_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 271 B9R1.33 CNCc1sccc1C WXDL_WXCD00610088_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 272 B9R1.33 CNCc1sccc1C WXDL_WXCD00611001_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 273 B9R1.33 CNCc1sccc1C WXDL_WXCD00611199_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 274 B9R1.33 CNCc1sccc1C WXDL_WXCD00611670_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 275 B9R1.33 CNCc1sccc1C WXDL_WXCD00611671_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 276 B9R1.33 CNCc1sccc1C WXDL_WXCD00905463_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 277 B9R1.33 CNCc1sccc1C WXDL_WXCD01004270_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 278 B9R1.33 CNCc1sccc1C WXDL_WXCD02002292_AN4223_QS0098 [1,1,0,0,0,0|1,1,0]=4 279 B9R1.33 CNCc1sccc1Cl WXDL_LN01985689_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 280 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00610088_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 281 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611001_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 282 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611199_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 283 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611670_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 284 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611671_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 285 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00905463_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 286 B9R1.33 CNCc1sccc1Cl WXDL_WXCD01004270_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4 287 B9R1.33 CNCc1sccc1Cl WXDL_WXCD02002292_AN4223_QS0215 [1,1,0,0,0,0|1,1,0]=4