0 B9R1.8 CNCc1ccccn1 WXDL_LN01985689_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 1 B9R1.8 CNCc1ccccn1 WXDL_WXCD00610088_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 2 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611001_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 3 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611199_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611670_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611671_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.8 CNCc1ccccn1 WXDL_WXCD00905463_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.8 CNCc1ccccn1 WXDL_WXCD01004270_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.8 CNCc1ccccn1 WXDL_WXCD02002292_AN4223_QS0104 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.8 CNCc1cccnc1 WXDL_LN01985689_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.8 CNCc1cccnc1 WXDL_WXCD00610088_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611001_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611199_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611670_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611671_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.8 CNCc1cccnc1 WXDL_WXCD00905463_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.8 CNCc1cccnc1 WXDL_WXCD01004270_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.8 CNCc1cccnc1 WXDL_WXCD02002292_AN4223_QS0106 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.33 CNCc1cccn1C WXDL_LN01985689_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.33 CNCc1cccn1C WXDL_WXCD00610088_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.33 CNCc1cccn1C WXDL_WXCD00611001_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.33 CNCc1cccn1C WXDL_WXCD00611199_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.33 CNCc1cccn1C WXDL_WXCD00611670_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.33 CNCc1cccn1C WXDL_WXCD00611671_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.33 CNCc1cccn1C WXDL_WXCD00905463_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.33 CNCc1cccn1C WXDL_WXCD01004270_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.33 CNCc1cccn1C WXDL_WXCD02002292_AN4223_QS0015 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.8 CNCc1ccc[nH]1 WXDL_LN01985689_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00610088_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611001_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611199_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611670_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611671_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00905463_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD01004270_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD02002292_AN4223_QS0096 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 37 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 38 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 39 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 40 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 41 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 42 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 43 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 44 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [1,0,0,1,0,0|1,1,0]=4 45 B8R1.8 CNCc1cnco1 WXDL_LN01985689_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.8 CNCc1cnco1 WXDL_WXCD00610088_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.8 CNCc1cnco1 WXDL_WXCD00611001_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.8 CNCc1cnco1 WXDL_WXCD00611199_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.8 CNCc1cnco1 WXDL_WXCD00611670_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.8 CNCc1cnco1 WXDL_WXCD00611671_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.8 CNCc1cnco1 WXDL_WXCD00905463_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.8 CNCc1cnco1 WXDL_WXCD01004270_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.8 CNCc1cnco1 WXDL_WXCD02002292_AN4223_QS1170 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.8 CNCc1ncco1 WXDL_LN01985689_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.8 CNCc1ncco1 WXDL_WXCD00610088_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.8 CNCc1ncco1 WXDL_WXCD00611001_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.8 CNCc1ncco1 WXDL_WXCD00611199_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.8 CNCc1ncco1 WXDL_WXCD00611670_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.8 CNCc1ncco1 WXDL_WXCD00611671_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.8 CNCc1ncco1 WXDL_WXCD00905463_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.8 CNCc1ncco1 WXDL_WXCD01004270_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.8 CNCc1ncco1 WXDL_WXCD02002292_AN4223_QS1188 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.10 CNCc1cccc(c1)O WXDL_LN01985689_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD00610088_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD00611001_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD00611199_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD00611670_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD00611671_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD00905463_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD01004270_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.10 CNCc1cccc(c1)O WXDL_WXCD02002292_AN4223_QS0071 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.10 CNCc1cccc(n1)O WXDL_LN01985689_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD00610088_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD00611001_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD00611199_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD00611670_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD00611671_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD00905463_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD01004270_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.10 CNCc1cccc(n1)O WXDL_WXCD02002292_AN4223_QS0699 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.96 CCc1ccc(s1)CNC WXDL_LN01985689_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD00610088_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD00611001_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD00611199_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD00611670_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD00611671_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD00905463_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD01004270_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.96 CCc1ccc(s1)CNC WXDL_WXCD02002292_AN4223_QS1555 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.96 CNCc1ccc(o1)CO WXDL_LN01985689_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD00610088_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD00611001_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD00611199_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD00611670_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD00611671_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 96 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD00905463_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD01004270_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.96 CNCc1ccc(o1)CO WXDL_WXCD02002292_AN4223_QS1114 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.4 CNCc1cccnc1O WXDL_LN01985689_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.4 CNCc1cccnc1O WXDL_WXCD00610088_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.4 CNCc1cccnc1O WXDL_WXCD00611001_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.4 CNCc1cccnc1O WXDL_WXCD00611199_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.4 CNCc1cccnc1O WXDL_WXCD00611670_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.4 CNCc1cccnc1O WXDL_WXCD00611671_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.4 CNCc1cccnc1O WXDL_WXCD00905463_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.4 CNCc1cccnc1O WXDL_WXCD01004270_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.4 CNCc1cccnc1O WXDL_WXCD02002292_AN4223_QS0651 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.4 CNCc1ccncc1O WXDL_LN01985689_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.4 CNCc1ccncc1O WXDL_WXCD00610088_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 110 B10R1.4 CNCc1ccncc1O WXDL_WXCD00611001_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.4 CNCc1ccncc1O WXDL_WXCD00611199_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.4 CNCc1ccncc1O WXDL_WXCD00611670_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.4 CNCc1ccncc1O WXDL_WXCD00611671_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.4 CNCc1ccncc1O WXDL_WXCD00905463_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.4 CNCc1ccncc1O WXDL_WXCD01004270_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.4 CNCc1ccncc1O WXDL_WXCD02002292_AN4223_QS1024 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.4 CNCc1ncccc1O WXDL_LN01985689_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.4 CNCc1ncccc1O WXDL_WXCD00610088_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.4 CNCc1ncccc1O WXDL_WXCD00611001_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.4 CNCc1ncccc1O WXDL_WXCD00611199_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.4 CNCc1ncccc1O WXDL_WXCD00611670_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.4 CNCc1ncccc1O WXDL_WXCD00611671_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.4 CNCc1ncccc1O WXDL_WXCD00905463_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.4 CNCc1ncccc1O WXDL_WXCD01004270_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.4 CNCc1ncccc1O WXDL_WXCD02002292_AN4223_QS0565 [0,1,0,1,0,0|1,0,1]=4