0 B8R1.2 CNc1ccncn1 WXDL_LN01985689_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 1 B8R1.2 CNc1ccncn1 WXDL_WXCD00610088_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 2 B8R1.2 CNc1ccncn1 WXDL_WXCD00611001_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 3 B8R1.2 CNc1ccncn1 WXDL_WXCD00611199_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.2 CNc1ccncn1 WXDL_WXCD00611670_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.2 CNc1ccncn1 WXDL_WXCD00611671_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.2 CNc1ccncn1 WXDL_WXCD00905463_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 CNc1ccncn1 WXDL_WXCD01004270_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.2 CNc1ccncn1 WXDL_WXCD02002292_AN4223_LP3358 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 CNc1ncccn1 WXDL_LN01985689_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 CNc1ncccn1 WXDL_WXCD00610088_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 CNc1ncccn1 WXDL_WXCD00611001_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 CNc1ncccn1 WXDL_WXCD00611199_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 CNc1ncccn1 WXDL_WXCD00611670_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 CNc1ncccn1 WXDL_WXCD00611671_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 CNc1ncccn1 WXDL_WXCD00905463_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 CNc1ncccn1 WXDL_WXCD01004270_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 CNc1ncccn1 WXDL_WXCD02002292_AN4223_LP0002 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.8 CNCc1ccc[nH]1 WXDL_LN01985689_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00610088_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611001_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611199_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611670_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611671_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00905463_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD01004270_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD02002292_AN4223_QS0096 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 28 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 29 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 30 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 31 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 32 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 33 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 34 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 35 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [0,0,0,1,0,0|1,1,1]=4 36 B9R1.8 CNCc1ccccn1 WXDL_LN01985689_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 37 B9R1.8 CNCc1ccccn1 WXDL_WXCD00610088_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 38 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611001_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 39 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611199_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 40 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611670_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 41 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611671_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 42 B9R1.8 CNCc1ccccn1 WXDL_WXCD00905463_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 43 B9R1.8 CNCc1ccccn1 WXDL_WXCD01004270_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 44 B9R1.8 CNCc1ccccn1 WXDL_WXCD02002292_AN4223_QS0104 [0,1,0,1,0,0|1,0,0]=3 45 B9R1.8 CNCc1cccnc1 WXDL_LN01985689_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.8 CNCc1cccnc1 WXDL_WXCD00610088_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611001_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611199_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611670_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611671_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.8 CNCc1cccnc1 WXDL_WXCD00905463_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.8 CNCc1cccnc1 WXDL_WXCD01004270_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.8 CNCc1cccnc1 WXDL_WXCD02002292_AN4223_QS0106 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.8 CNCc1ccncc1 WXDL_LN01985689_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.8 CNCc1ccncc1 WXDL_WXCD00610088_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611001_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611199_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611670_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611671_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.8 CNCc1ccncc1 WXDL_WXCD00905463_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.8 CNCc1ccncc1 WXDL_WXCD01004270_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.8 CNCc1ccncc1 WXDL_WXCD02002292_AN4223_QS0107 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.8 CNCc1cnccn1 WXDL_LN01985689_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.8 CNCc1cnccn1 WXDL_WXCD00610088_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611001_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611199_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611670_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611671_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.8 CNCc1cnccn1 WXDL_WXCD00905463_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.8 CNCc1cnccn1 WXDL_WXCD01004270_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.8 CNCc1cnccn1 WXDL_WXCD02002292_AN4223_QS0327 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.33 CNCc1cccn1C WXDL_LN01985689_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.33 CNCc1cccn1C WXDL_WXCD00610088_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.33 CNCc1cccn1C WXDL_WXCD00611001_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.33 CNCc1cccn1C WXDL_WXCD00611199_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.33 CNCc1cccn1C WXDL_WXCD00611670_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.33 CNCc1cccn1C WXDL_WXCD00611671_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.33 CNCc1cccn1C WXDL_WXCD00905463_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.33 CNCc1cccn1C WXDL_WXCD01004270_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.33 CNCc1cccn1C WXDL_WXCD02002292_AN4223_QS0015 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.33 CNCc1ccsc1Br WXDL_LN01985689_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00610088_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611001_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611199_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611670_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611671_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00905463_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.33 CNCc1ccsc1Br WXDL_WXCD01004270_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.33 CNCc1ccsc1Br WXDL_WXCD02002292_AN4223_QS2092 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.33 CNCc1cscc1Br WXDL_LN01985689_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.33 CNCc1cscc1Br WXDL_WXCD00610088_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611001_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611199_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611670_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611671_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.33 CNCc1cscc1Br WXDL_WXCD00905463_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.33 CNCc1cscc1Br WXDL_WXCD01004270_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.33 CNCc1cscc1Br WXDL_WXCD02002292_AN4223_QS0787 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.33 CNCc1occc1Br WXDL_LN01985689_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.33 CNCc1occc1Br WXDL_WXCD00610088_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.33 CNCc1occc1Br WXDL_WXCD00611001_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.33 CNCc1occc1Br WXDL_WXCD00611199_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.33 CNCc1occc1Br WXDL_WXCD00611670_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.33 CNCc1occc1Br WXDL_WXCD00611671_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.33 CNCc1occc1Br WXDL_WXCD00905463_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.33 CNCc1occc1Br WXDL_WXCD01004270_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.33 CNCc1occc1Br WXDL_WXCD02002292_AN4223_QS1403 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.33 CNCc1sccc1Br WXDL_LN01985689_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.33 CNCc1sccc1Br WXDL_WXCD00610088_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611001_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611199_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611670_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611671_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.33 CNCc1sccc1Br WXDL_WXCD00905463_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.33 CNCc1sccc1Br WXDL_WXCD01004270_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.33 CNCc1sccc1Br WXDL_WXCD02002292_AN4223_QS0779 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.33 CNCc1sccc1C WXDL_LN01985689_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.33 CNCc1sccc1C WXDL_WXCD00610088_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.33 CNCc1sccc1C WXDL_WXCD00611001_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.33 CNCc1sccc1C WXDL_WXCD00611199_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.33 CNCc1sccc1C WXDL_WXCD00611670_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.33 CNCc1sccc1C WXDL_WXCD00611671_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.33 CNCc1sccc1C WXDL_WXCD00905463_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.33 CNCc1sccc1C WXDL_WXCD01004270_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.33 CNCc1sccc1C WXDL_WXCD02002292_AN4223_QS0098 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.33 CNCc1sccc1Cl WXDL_LN01985689_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00610088_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611001_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611199_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611670_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611671_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00905463_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.33 CNCc1sccc1Cl WXDL_WXCD01004270_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.33 CNCc1sccc1Cl WXDL_WXCD02002292_AN4223_QS0215 [0,1,0,1,0,0|2,0,0]=4