0 B10R1.25 C#CC1=C(F)C=C(C)C=N1 D79797 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.25 C#CC1=NC=C(F)C=C1C D79796 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.25 CC1=C(C#N)C=CC(Br)=N1 22703 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.25 CC1=C(C#N)C=CC(Cl)=N1 22614 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 CC1=C(C#N)C=CC(N)=N1 29233 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.25 CC1=C(C#N)N=CC(Cl)=N1 BL010403 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.25 CC1=C(CN)C=CC(N)=N1 D93406 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.25 CC1=CC(Br)=CN=C1CCl 79673 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.25 CC1=CC(Br)=CN=C1CN 24121 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.25 CC1=CC(Cl)=CN=C1CN 24127 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.25 CC1=CC(O)=CN=C1C#N 26385 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.25 CC1=NC(N)=CN=C1C#N BL010402 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.25 CC1=NC=C(CN)C(N)=N1 33128 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.25 CNC1=NC=C(Br)C=C1N C77013 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.25 COC1=C(C)N=C(Cl)N=C1 72823 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.25 COC1=C(C)N=C(N)N=C1 FD10682 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.25 COC1=C(Cl)N=C(I)C=C1 72074 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.25 COC1=C(F)C=C(N)C=N1 27254 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.25 COC1=C(F)N=C(Br)C=C1 CS1206 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.25 COC1=C(I)C=C(Br)C=N1 C75707 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.25 COC1=C(N)N=C(F)C=C1 D70935 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.25 COC1=CC=C(Br)N=C1Br 79976 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.25 COC1=CC=C(Cl)N=C1Br C72025 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.25 COC1=CC=C(Cl)N=C1Cl 81824 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.25 COC1=CC=C(Cl)N=C1I 82334 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.25 COC1=CC=C(N)N=C1Cl F19661 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.25 COC1=CN=C(C)N=C1Cl F30537 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.25 COC1=NC=C(Cl)C=C1N E70381 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.25 COC1=NC=C(F)C=C1C C76918 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.25 COC1=NC=C(F)C=C1N C71761 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.25 COC1=NC=C(F)C=C1O S10276 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.25 CSC1=C(F)N=C(F)C=C1 D79861 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.25 ClCC1=CC=C(Cl)N=C1Cl F19959 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.25 FC1=CC(Br)=CN=C1CCl 52169 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.25 FC1=CC(Cl)=C(CCl)N=C1 BL010215 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.25 FC1=CC(Cl)=CN=C1CCl BL010224 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.25 FC1=CN=C(CBr)C(F)=C1 F18562 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.25 FC1=CN=C(CCl)C(F)=C1 P11155 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.25 N#CC1=C(N)N=C(Cl)C=N1 D79757 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.25 N#CC1=NC=C(N)N=C1Cl W17942 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.25 NC1=C(CO)C=CC(Br)=N1 97230 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.25 NC1=CC(Br)=CN=C1CO 39153 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 87902 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.25 NCC1=C(Br)C=C(F)C=N1 D79768 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.25 NCC1=NC=C(Br)C=C1Cl AT10811 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.25 NCC1=NC=C(Cl)C=C1F 24125 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 BL010274 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl H10986 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 BL010228 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.25 OCC1=C(Cl)C=C(F)C=N1 BL010214 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.25 OCC1=C(F)C=C(F)C=N1 78724 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.25 OCC1=C(F)N=C(Cl)C=C1 D70022 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.25 OCC1=CC=C(Br)N=C1Br C75600 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.25 OCC1=NC=C(Br)C=C1Cl 97688 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [1,0,0,0,0,0|0,0,2]=3 97 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.1 CC1=CN=C(CN)N=C1 38455 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.1 CC1=CN=C(CN)N=C1 72570 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,0,0,0,0,0|1,0,0]=2 108 B9R1.1 CC1=CN=C(CO)N=C1 38636 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 CC1=NC=C(CN)C=N1 81411 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,0,0,0,0,0|1,0,0]=2 130 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 COC1=NC=C(N)N=C1 24331 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,0,0,0,0,0|0,0,2]=3 152 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,0,0,0,0,0|1,0,2]=4 153 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.15 CC1=C(CCl)C=NC=N1 F31172 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.15 CC1=CC=CN=C1CN C72913 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.15 CC1=NC=CC=C1CN 72802 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,0,0,0,0,0|1,0,1]=3 161 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.15 CC1=NC=CN=C1CN E70300 [1,0,0,0,0,0|1,0,0]=2 163 B9R1.15 CC1=NC=CN=C1CN P19746 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.15 CC1=NC=CN=C1CO P10784 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.15 CCC1=CC=CN=C1N 55791 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.15 CCC1=CC=NN=C1Cl S11385 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.15 CCC1=NC=CNC1=O S12194 [1,0,0,0,0,0|1,0,1]=3 174 B9R1.15 CNC1=CC=CN=C1N 94808 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.15 CNC1=NC=CC=C1N 72351 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.15 CNC1=NC=CN=C1N 25161 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 COC1=NC=CC=C1C C73664 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.15 COC1=NC=CN=C1Br 27717 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.15 FC1=CC=CN=C1CBr 38126 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.15 FC1=CC=CN=C1CCl AC1446 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 NC1=CC=CN=C1CO H10562 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.15 NCC1=C(F)C=CC=N1 37501 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.15 NCC1=C(F)C=CC=N1 71993 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.15 NCC1=CC=CN=C1Br D82416 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.15 NCC1=CC=CN=C1Cl 51113 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.15 NCC1=CC=CN=C1N 89358 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.15 NCC1=CC=CN=C1O 55767 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.15 NCC1=NC=CC=C1N AC4283 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.69 CC1=C(Br)C=C(F)C=N1 22786 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [1,0,0,0,0,0|1,0,0]=2 205 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [1,0,0,0,0,0|1,0,0]=2 206 B9R1.69 CC1=C(C)N=C(Cl)N=C1 P17845 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [1,0,0,0,0,0|1,0,0]=2 209 B9R1.69 CC1=C(Cl)C=C(O)C=N1 94607 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 C16781 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C10556 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.69 CC1=C(I)C=CC(F)=N1 22653 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.69 CC1=C(N)N=CC(Cl)=N1 P10837 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.69 CC1=CC(=O)NN=C1C P11942 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.69 CC1=CC(Br)=CN=C1I I11229 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.69 CC1=CC(C)=NN=C1Cl 37531 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.69 CC1=CC(Cl)=C(F)N=C1 O10975 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.69 CC1=CC(Cl)=NN=C1C 24353 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.69 CC1=CC(F)=CN=C1N 27788 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.69 CC1=CC(I)=CN=C1Cl I10138 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.69 CC1=CC(I)=CN=C1F A10643 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.69 CC1=CC(O)=CN=C1C W19117 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.69 CC1=CC(O)=CN=C1Cl 25601 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.69 CC1=CC(O)=CN=C1F BL009882 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.69 CC1=CC(O)=CN=C1N 72099 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.69 CC1=CC=C(N)N=C1N N13200 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [1,0,0,0,0,0|1,0,0]=2 233 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [1,0,0,0,0,0|1,0,0]=2 235 B9R1.69 CC1=CN=C(C)N=C1Cl C16332 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.69 CC1=CN=C(C)N=C1N 32026 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [1,0,0,0,0,0|1,0,0]=2 244 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.69 CC1=NC(Cl)=CN=C1Br 24195 [1,0,0,0,0,0|2,0,0]=3 250 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.69 CC1=NC(N)=CN=C1Br 26530 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.69 CC1=NC(N)=CN=C1Cl P10838 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.69 CC1=NC=C(F)C=C1N D96784 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.69 ClC1=CN=C(Br)C(Cl)=N1 I10188 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.69 ClC1=NC(Br)=CN=C1Br I11306 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.69 NC1=C(Cl)N=CC(Br)=N1 26529 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.69 NC1=C(N)N=C(Cl)C=N1 N13199 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.69 NC1=C(S)N=CC(Cl)=N1 92331 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.69 NC1=C([S-])N=CC(Cl)=N1 AT21629 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.69 NC1=CN=C(Br)C(Br)=N1 C72407 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.69 NC1=CN=C(I)C(Cl)=N1 W15257 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.69 NC1=NC(Cl)=CN=C1Cl C10162 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.69 NC1=NC=C(Br)N=C1I F16396 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.69 OC1=CN=C(Br)C(Cl)=N1 P18868 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.37 COC1=C(C#N)N=C(C)C=C1 F50991 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 D80185 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.37 COC1=C(CN)C=CC(Br)=N1 N10742 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y11170 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.37 COC1=C(CO)C=CC(Br)=N1 N10745 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.37 COC1=NC=C(Br)C=C1CO P11193 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.37 OCC1=C(CO)N=C(Cl)C=C1 N12730 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.37 OCC1=CC(Br)=CN=C1CO F30570 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.81 CCOC1=C(C)N=C(N)C=C1 O11421 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.81 CCOC1=C(F)C=C(N)C=N1 26695 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.81 COCC1=CC=C(Cl)N=C1Cl W10447 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 A12536 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10861 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10895 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11476 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11477 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11919 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11920 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y12621 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81528 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.166 CC1=CC(N)=CN=C1C(F)F D93755 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,1,0,0,0,0|1,0,1]=3 299 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.166 CC1=NC(C)=C(B(O)O)C=C1 FD10078 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br 24900 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=N1 79345 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=N1 50880 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.166 C[C@H](N)C1=NC=C(Cl)C=C1F BL010225 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=N1 79310 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.166 C[C@H](O)C1=NC=C(Cl)C=C1F BL010226 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.277 CC1=NC(C)=C(C)N=C1C=O C15170 [0,1,0,0,0,0|1,0,1]=3 308 B11R1.277 CC1=NC(C)=C(C)N=C1CBr S11280 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.277 CCC1=NC(C)=C(C)N=C1C C73333 [0,1,0,0,0,0|0,0,0]=1 310 B11R1.277 COC1=CC(Br)=C(C)N=C1N 84361 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.278 CC1=CN=C(CO)C(C)=C1Cl C72854 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.278 CC1=CN=C(CO)C(C)=C1O D80824 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.279 COC1=C(C)C=C(CO)C=C1 D87344 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.279 COC1=CC(C)=C(CN)C=C1 N16939 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.279 COC1=CC=C(CN)C(Br)=N1 D82704 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.279 COC1=CC=C(CO)N=C1Cl W17845 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.279 COC1=CN=C(C#N)C(C)=C1 82258 [0,1,0,0,0,0|2,0,1]=4 318 B11R1.279 COC1=CN=C(CN)C(C)=C1 D83514 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.279 COC1=NC(C)=C(C#N)C=C1 85188 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.279 COC1=NC=C(C=O)C=C1C 72229 [0,1,0,0,0,0|2,0,1]=4 321 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.279 CSC1=NC(C)=C(CO)C=N1 D84352 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.464 CC1=CC(C)=C(CBr)C(C)=C1 S10850 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.464 CC1=CC(Cl)=C(CO)C(Cl)=N1 C90466 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.464 COC1=C(C)N=C(Cl)C=C1Cl P11221 [0,1,0,0,0,0|3,0,0]=4 326 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [0,0,0,1,0,0|3,0,0]=4 327 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,0,0,1,0,0|2,0,0]=3 328 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [0,0,0,1,0,0|3,0,0]=4 329 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [0,0,0,1,0,0|3,0,0]=4 330 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,0,0,1,0,0|3,0,0]=4 331 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,0,0,1,0,0|2,0,0]=3 332 B11R2.36 CC1=NC2=C(C=N1)CSC2 C74866 [0,0,0,1,0,0|3,0,0]=4 333 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [0,0,0,1,0,0|3,0,0]=4 334 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,0,0,1,0,0|3,0,0]=4 335 B11R2.36 ClC1=NC2=C(C=C1)CCO2 D78959 [0,0,0,1,0,0|3,0,0]=4 336 B11R2.36 ClC1=NC2=C(C=C1)CNC2 FD7109 [0,0,0,1,0,0|3,0,0]=4 337 B11R2.36 ClC1=NC2=C(C=C1)CNC2 P12647 [0,0,0,1,0,0|3,0,0]=4 338 B11R2.36 ClC1=NC2=C(C=N1)CCC2 P18611 [0,0,0,1,0,0|3,0,0]=4 339 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [0,0,0,1,0,0|3,0,0]=4 340 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,0,0,1,0,0|3,0,0]=4 341 B11R2.36 O=C1C=CC2=C(CCC2)N1 83506 [0,0,0,1,0,0|2,0,1]=4 342 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,0,0,0,1,0|3,0,0]=4 343 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,0,0,0,1,0|2,0,0]=3 344 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,0,0,0,1,0|2,0,0]=3 345 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,0,0,0,1,0|3,0,0]=4 346 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,0,0,0,1,0|2,0,0]=3 347 B9R1.22 CC1=NN(C)C(C#N)=C1 W11021 [0,0,0,0,1,0|2,0,1]=4 348 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,0,0,0,1,0|2,0,0]=3 349 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,0,0,0,1,0|2,0,0]=3 350 B9R1.22 CSC1=CC(N)=NN1C W11026 [0,0,0,0,1,0|3,0,0]=4 351 B9R1.132 CC1=C(C=O)N=CN1C 25051 [0,0,0,0,1,0|2,0,1]=4 352 B9R1.132 CC1=C(CO)N=CN1C 70857 [0,0,0,0,1,0|2,0,0]=3 353 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,0,0,0,1,0|1,0,2]=4 354 B9R1.132 CCN1N=CC(N)=C1C D79758 [0,0,0,0,1,0|2,0,0]=3 355 B9R1.132 CN1C(Cl)=CN=C1CO C74718 [0,0,0,0,1,0|3,0,0]=4 356 B8R1.2 BrCC1=NC=CN=C1 31757 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.2 C#CC1=NC=CN=C1 P11646 [2,0,0,0,0,0|0,0,2]=4 358 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 ClCC1=NC=CN=C1 37060 [2,0,0,0,0,0|1,0,0]=3 360 B8R1.2 NCC1=NC=CN=C1 67569 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.3 CC1=CC=C(C)N=N1 S11370 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.3 CC1=CN=C(Br)C=N1 88781 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.3 CC1=CN=C(I)C=N1 W17940 [2,0,0,0,0,0|1,0,0]=3 366 B8R1.3 CC1=CN=C(N)C=N1 52044 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.3 CC1=CN=C(O)C=N1 84954 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.3 CC1=NC=C(I)C=C1 C10582 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.3 FC1=CN=C(Br)C=N1 Y10496 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.3 IC1=CN=C(I)C=N1 I11480 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.3 NC1=CN=C(N)C=N1 C14950 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.3 NC1=CN=C(N)C=N1 F20076 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.5 CC1=C(I)C=CC=N1 F19761 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.5 CC1=NC=CN=C1Br 26975 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.5 CC1=NCCN=C1C N13379 [2,0,0,0,0,0|0,0,2]=4 376 B8R1.5 CC1=NNC=NC1=O D79535 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.5 ClC1=NC=CN=C1Br C71707 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.5 ClC1=NC=CN=C1I AC1564 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.5 FC1=NC=CN=C1Br W17938 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.5 NC1=NC=CN=C1Br 27472 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.5 NC1=NC=CN=C1I 27241 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.5 OC1=NC=CN=C1Br A11981 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.5 OC1=NC=CN=C1O C74124 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.4 CC1=CC=CC(I)=N1 S10876 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.4 ClC1=CN=CC(I)=N1 N11783 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.4 FC1=CN=CC(Br)=N1 D82262 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.4 NC1=CN=CC(N)=N1 30602 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.4 OC1=CN=CC(Br)=N1 P20532 [2,0,0,0,0,0|2,0,0]=4 389 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.1 CCOC1=CN=C(Br)C=N1 52691 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.3 COC1=CN=C(CCl)C=N1 F30446 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [1,1,0,0,0,0|0,0,1]=3 408 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.13 NC1=CN=C(C(F)F)C=N1 D84905 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.176 COC1=CN=C(Cl)C(N)=N1 C72387 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.176 CSC1=CN=C(Cl)C(Cl)=N1 38289 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.2 CC1=C(Cl)C=CN=C1CCl W19099 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.2 COC1=NC=CC(I)=C1C 96428 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.4 CCOC1=NC=CN=C1N 25986 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.4 N#CCC1=NC=CN=C1Cl 38700 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.20 COC1=CC=CN=C1CBr O10505 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.20 COC1=CC=CN=C1CCl 60117 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.20 COC1=NC=CC=C1CN 37576 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.20 COC1=NC=CN=C1NN C74005 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.20 COC1=NC=CN=C1OC 21131 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.20 OCC1=CC=CN=C1CO 75308 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.20 OCC1=CC=CN=C1CO S11918 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.30 COC1=NC(C)=CN=C1N C77014 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.245 CC1=CC=NC(C)=C1CO W18063 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.245 COC1=C(Br)C=CN=C1C A11666 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.22 CC1=C(C)C(Cl)=CC(Cl)=N1 O11132 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.22 CC1=CC(=O)C(C)=C(C)N1 W12381 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.22 CC1=CC(Br)=C(Br)C(C)=N1 AB2800 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.22 CC1=CC(Br)=C(C)C(C)=C1 E10156 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.22 CC1=CC(Cl)=C(C)C(Cl)=N1 F15547 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.22 CC1=CC(N)=C(Br)C(C)=N1 C74709 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.22 CC1=CC(N)=C(C)C(C)=C1 E10144 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.22 CC1=C[N+]([O-])=C(C)C(C)=C1 O10563 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.118 CC1=C(C)N=C(Br)C(Br)=C1 W17922 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.118 CC1=C(C)N=C(Cl)C(Cl)=N1 O10567 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.118 CC1=C(C)N=C(Cl)C(N)=N1 Y10353 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.118 CC1=C(C)NC(=O)C(Cl)=N1 C72614 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.118 CC1=C(C)NC(=O)C(N)=N1 W16856 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.118 CC1=CC(Br)=C(C)N=C1Br F50718 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.118 CC1=CC(Br)=C(C)N=C1N F51204 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.118 CC1=CC(C)=C(Br)N=C1Br 31413 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.118 CC1=NC(C)=C(C)N=C1O Y10052 [1,1,0,0,0,0|0,0,0]=2 536 B10R1.35 COC1=NN(C)C(CO)=C1 F30451 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,1,0,0,1,0|1,0,1]=4 538 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,1,0,0,1,0|1,0,1]=4 539 B10R1.59 CC1=NN(C)C=C1[C@H](C)O 71775 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.130 CC1=C(CCO)N=C(Br)S1 29403 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.130 CC1=CC(C)=NN1CCBr 71906 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.256 CC1=NN(C)C(C)=C1CN 71355 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.256 CC1=NN(C)C(C)=C1CN W17401 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.256 CC1=NN(C)C(CO)=C1I W15279 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.256 CC1=NN(C)C(Cl)=C1CO A11864 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.94 CC1=C(CCO)SC=[N+]1C C73138 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.94 CCOC1=NOC(C)=C1Br C11209 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.194 CC(C)C1=NC=C(I)N1C 74938 [0,1,0,0,1,0|2,0,0]=4 549 B12R1.112 CCOC1=NC=C(Br)C=C1OC C71954 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.234 COC1=NC(C)=CC(C)=C1CN W18605 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.448 COC1=C(OC)N=C(Br)C(C)=C1 C76031 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 C76432 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.1703 CC1=CC(C)=C([C@@H](N)CO)C=C1 N11078 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y10891 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y11488 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 N13076 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y11272 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y11273 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y11755 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y13404 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.449 CCC1=C(Cl)N=C(Cl)C(C#N)=N1 P15357 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.654 COC1=C(C)C(CCl)=NC=C1C 22000 [0,2,0,0,0,0|2,0,0]=4 566 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|2,0,0]=4 567 B10R2.7 C1=CN=C2CNCC2=C1 83068 [1,0,0,1,0,0|2,0,0]=4 568 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [1,0,0,1,0,0|2,0,0]=4 569 B10R2.7 C1=CN=C2CNCC2=N1 50637 [1,0,0,1,0,0|1,0,0]=3 570 B10R2.2 BrC1=NC2=C(CCC2)S1 52778 [0,0,0,1,1,0|2,0,0]=4 571 B10R2.2 ClC1=CN2CCCC2=N1 N13368 [0,0,0,1,1,0|2,0,0]=4 572 B10R2.2 NC1=NC2=C(CCC2)S1 54823 [0,0,0,1,1,0|2,0,0]=4 573 B10R2.32 BrC1=CN=C2CCCN12 P18610 [0,0,0,1,1,0|2,0,0]=4 574 B10R2.32 NC1=C2CCCC2=NN1 75311 [0,0,0,1,1,0|2,0,0]=4 575 B10R2.32 OC1=C2CCCC2=NN1 28049 [0,0,0,1,1,0|2,0,0]=4 576 B12R2.24 BrC1=CN=C2CCNCC2=C1 21007 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.24 BrC1=CN=C2CCNCC2=C1 P19234 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.24 BrC1=CN=C2CCNCC2=C1 SC2711 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.24 BrC1=CN=C2NCCCC2=C1 51323 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 C71819 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,1,0,0|2,0,0]=4 583 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.24 CC1=CC=C2NCCNC2=N1 C72059 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.24 CC1=NC=C2CNCCC2=N1 94632 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 51056 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C72207 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 F11138 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 F50761 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.24 NC1=CC2=C(CCOC2)N=C1 72372 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.24 NC1=CN=C2CCCCC2=C1 F30818 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.24 NC1=CN=C2CCNCC2=C1 67454 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.24 NC1=CN=C2CCNCC2=C1 FD7018 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.24 OC1=CN=C2CCNCC2=C1 S11487 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.24 OC1=CN=C2CCNCC2=C1 SC1341 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.132 O[C@H]1CCC2=C1N=C(Br)C=C2 D79272 [0,1,0,1,0,0|2,0,0]=4 602 B12R2.132 O[C@H]1CCC2=C1N=C(Cl)C=C2 N11829 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.246 CC1=CC(N)=C2CCCC2=C1 Y11353 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.246 CC1=CC(N)=C2CCCC2=C1 Y11354 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.246 CC1=NC2=C(CCC2)C(=O)N1 86768 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.246 CC1=NC2=C(CCC2)C(Cl)=N1 87009 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.246 ClC1=CC(Cl)=NC2=C1CCC2 36547 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.246 OC1=CC(O)=NC2=C1CCC2 SC2081 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.606 CC1=CC2=C(C=C1)N[C@@H](C)C2 D78738 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.44 COC1=CN=C2NCCC2=C1 P20217 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.44 NCC1=CC2=C(C=C1)CCC2 W11761 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Y11717 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.1 CC1=CC(CBr)=NO1 F30090 [1,0,0,0,1,0|2,0,0]=4 618 B8R1.1 CC1=CC(CCl)=NO1 71171 [1,0,0,0,1,0|2,0,0]=4 619 B8R1.1 CC1=CN=C(CO)N1 P16461 [1,0,0,0,1,0|1,0,1]=4 620 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,0,0,0,1,0|2,0,0]=4 621 B8R1.1 CC1=CSC(CCl)=N1 W16105 [1,0,0,0,1,0|2,0,0]=4 622 B8R1.1 CC1=CSC(CO)=N1 78422 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.1 CC1=NC(CBr)=CS1 C76311 [1,0,0,0,1,0|2,0,0]=4 624 B8R1.1 CC1=NC(CBr)=NO1 F13555 [1,0,0,0,1,0|2,0,0]=4 625 B8R1.1 CC1=NC(CCl)=NO1 C71636 [1,0,0,0,1,0|2,0,0]=4 626 B8R1.1 CC1=NC(CN)=NO1 72162 [1,0,0,0,1,0|2,0,0]=4 627 B8R1.1 CC1=NC(CO)=CN1 22905 [1,0,0,0,1,0|1,0,1]=4 628 B8R1.1 CC1=NC=C(CBr)S1 F16665 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.1 CC1=NC=C(CN)S1 72160 [1,0,0,0,1,0|2,0,0]=4 630 B8R1.1 CC1=NC=C(CN)S1 F14010 [1,0,0,0,1,0|2,0,0]=4 631 B8R1.1 CC1=NNC(CO)=C1 71135 [1,0,0,0,1,0|2,0,0]=4 632 B8R1.1 CC1=NNC(CO)=N1 W19133 [1,0,0,0,1,0|2,0,0]=4 633 B8R1.1 CC1=NOC(CBr)=C1 C15689 [1,0,0,0,1,0|2,0,0]=4 634 B8R1.1 CC1=NOC(CN)=C1 20228 [1,0,0,0,1,0|2,0,0]=4 635 B8R1.1 CC1=NOC(CN)=N1 S10792 [1,0,0,0,1,0|2,0,0]=4 636 B8R1.1 CCC1=CC(N)=NO1 71263 [1,0,0,0,1,0|2,0,0]=4 637 B8R1.1 CCC1=CC(O)=NO1 AC2644 [1,0,0,0,1,0|2,0,0]=4 638 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,1,0|2,0,0]=4 639 B8R1.1 CCC1=CN=C(N)S1 84403 [1,0,0,0,1,0|2,0,0]=4 640 B8R1.1 CCN1C=C(O)C=N1 AT11883 [1,0,0,0,1,0|2,0,0]=4 641 B8R1.1 CN1C=C(CCl)C=N1 71934 [1,0,0,0,1,0|2,0,0]=4 642 B8R1.1 CN1C=NC(CCl)=N1 29909 [1,0,0,0,1,0|2,0,0]=4 643 B8R1.1 CN1C=NC(CN)=C1 38318 [1,0,0,0,1,0|2,0,0]=4 644 B8R1.1 CN1C=NC(CN)=C1 82874 [1,0,0,0,1,0|2,0,0]=4 645 B8R1.1 CN1C=NC(CO)=N1 26175 [1,0,0,0,1,0|2,0,0]=4 646 B8R1.1 CNC1=CN(C)N=C1 S10801 [1,0,0,0,1,0|2,0,0]=4 647 B8R1.1 CNC1=CN(C)N=C1 W19310 [1,0,0,0,1,0|2,0,0]=4 648 B8R1.1 CNC1=NC(C)=NS1 72649 [1,0,0,0,1,0|2,0,0]=4 649 B8R1.1 CNC1=NOC(C)=C1 AT19776 [1,0,0,0,1,0|2,0,0]=4 650 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [1,0,0,0,1,0|2,0,0]=4 651 B8R1.11 CC1=C(CO)C=CO1 30727 [1,0,0,0,1,0|2,0,0]=4 652 B8R1.11 CC1=C(CO)N=CO1 AT18595 [1,0,0,0,1,0|2,0,0]=4 653 B8R1.11 CC1=CNN=C1CN P17767 [1,0,0,0,1,0|2,0,0]=4 654 B8R1.11 CC1=CON=C1CN AT25740 [1,0,0,0,1,0|2,0,0]=4 655 B8R1.11 CC1=NOC=C1CN 72854 [1,0,0,0,1,0|2,0,0]=4 656 B8R1.11 CC1=NOC=C1CN N10525 [1,0,0,0,1,0|2,0,0]=4 657 B8R1.11 CC1=NON=C1CN 70844 [1,0,0,0,1,0|2,0,0]=4 658 B8R1.11 CCC1=C(C)N=CS1 60935 [1,0,0,0,1,0|1,0,0]=3 659 B8R1.11 CCC1=CNN=C1C AC8755 [1,0,0,0,1,0|1,0,0]=3 660 B8R1.11 CCC1=NNC=C1Br 98406 [1,0,0,0,1,0|2,0,0]=4 661 B8R1.11 CCN1C=CN=C1Br AT15593 [1,0,0,0,1,0|2,0,0]=4 662 B8R1.11 CN1N=CC=C1CCl 31784 [1,0,0,0,1,0|2,0,0]=4 663 B8R1.11 CN1N=CC=C1CN AC1023 [1,0,0,0,1,0|2,0,0]=4 664 B8R1.11 CN1N=CN=C1CCl D93361 [1,0,0,0,1,0|2,0,0]=4 665 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [1,0,0,0,1,0|1,0,1]=4 666 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [1,0,0,0,1,0|2,0,0]=4 667 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [1,0,0,0,1,0|2,0,0]=4 668 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,0,0,0,1,0|1,0,0]=3 669 B8R1.18 CC1=CC(Cl)=NN1C D72062 [1,0,0,0,1,0|2,0,0]=4 670 B8R1.18 CC1=CC(N)=C(C)S1 86689 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.18 CC1=CN(C)N=C1Br P19396 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.18 CC1=CN(C)N=C1I C72577 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.18 CC1=CN(C)N=C1N 51246 [1,0,0,0,1,0|2,0,0]=4 674 B8R1.18 CC1=CN(C)N=C1N 98162 [1,0,0,0,1,0|2,0,0]=4 675 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [1,0,0,0,1,0|2,0,0]=4 676 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [1,0,0,0,1,0|2,0,0]=4 677 B8R1.18 CC1=NC(I)=CN1C F51115 [1,0,0,0,1,0|2,0,0]=4 678 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [1,0,0,0,1,0|2,0,0]=4 679 B8R1.18 CC1=NN(C)C=C1Cl 57531 [1,0,0,0,1,0|2,0,0]=4 680 B8R1.18 CC1=NN(C)C=C1I C76091 [1,0,0,0,1,0|2,0,0]=4 681 B8R1.18 CC1=NN(C)C=C1O F30460 [1,0,0,0,1,0|2,0,0]=4 682 B8R1.18 CC1=NN(C)N=C1Br O11170 [1,0,0,0,1,0|2,0,0]=4 683 B8R1.50 CC1=C(Br)N(C)C=N1 72894 [1,0,0,0,1,0|2,0,0]=4 684 B8R1.50 CC1=C(Br)N(C)N=C1 P13239 [1,0,0,0,1,0|2,0,0]=4 685 B8R1.50 CC1=C(C)N(C)C=N1 F18314 [1,0,0,0,1,0|1,0,0]=3 686 B8R1.50 CC1=C(N)N=CN1C 32547 [1,0,0,0,1,0|2,0,0]=4 687 B8R1.50 CC1=CSC(C)=C1N AT16742 [1,0,0,0,1,0|2,0,0]=4 688 B8R1.50 CC1=NNC(C)=C1N 51248 [1,0,0,0,1,0|2,0,0]=4 689 B8R1.50 CC1=NNC(O)=C1C S10439 [1,0,0,0,1,0|2,0,0]=4 690 B8R1.50 CC1=NOC(C)=C1O AT19674 [1,0,0,0,1,0|2,0,0]=4