0 B11R1.41 C1=CC=C(C(=C1)CC#N)C#N C124216 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.41 CCC1=CC=CC=C1N=C=S E140565 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.41 CCOC1=CC=CC=C1C#N E101409 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.41 CCOC1=CC=CC=C1C=O E123026 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.41 CCOC1=CC=CC=C1CN E134140 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.41 CCOC1=CC=CC=C1OC E354173 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.41 CNCC1=CC=CC=C1OC M469543 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.41 COC1=CC=CC=C1CC#N M158788 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.41 COC1=CC=CC=C1CC=C A468148 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.41 COC1=CC=CC=C1CCN M132548 [0,0,0,0,0,0|0,0,0]=0 10 B11R1.41 COC1=CC=CC=C1CCO M157916 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.41 COC1=CC=CC=C1N=C=O I134824 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.41 COC1=CC=CC=C1N=C=S M158323 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.4 C1=CC=C(C(=C1)C=NO)O S100325 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.4 C1=CC=C(C(=C1)CC#N)Br B468900 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.4 C1=CC=C(C(=C1)CC#N)Cl C140252 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.4 C1=CC=C(C(=C1)CC#N)F F133645 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.4 C1=CC=C(C(=C1)CC#N)I I170176 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.4 C1=CC=C(C(=C1)CC#N)N A133628 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.4 C1=CC=C(C(=C1)CCBr)Cl C167804 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 C1=CC=C(C(=C1)CCBr)F F469846 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [1,0,0,0,0,0|0,0,0]=1 27 B10R1.4 C1=CC=C(C(=C1)CCO)Br B102011 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.4 C1=CC=C(C(=C1)CCO)Cl C135333 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 C1=CC=C(C(=C1)CCO)F F134481 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.4 C1=CC=C(C(=C1)CCO)N A151124 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.4 C1=CC=C(C(=C1)CCO)O H139263 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.4 C1=CC=C(C(=C1)CON)F O192052 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.4 C=CCC1=CC=CC=C1Br A467291 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.4 C=CCC1=CC=CC=C1N A151777 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.4 C=CCC1=CC=CC=C1O A151090 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.4 CC1=CC=CC=C1CC#N O160033 [1,0,0,0,0,0|0,0,2]=3 37 B10R1.4 CC1=CC=CC=C1CC=C A167621 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.4 CC1=CC=CC=C1CCBr B587606 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.4 CC1=CC=CC=C1CCO O159910 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.4 CC1=CC=CC=C1CNC B301431 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.4 CC1=CC=CC=C1N=C=O T113759 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.4 CC1=CC=CC=C1N=C=S O159977 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.4 CC1=CC=CC=C1NC=O M158338 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.4 CCCC1=CC=CC=C1N P160189 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.4 CCCC1=CC=CC=C1O P160564 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.4 CCNC1=CC=CC=C1C N158979 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.4 CCOC1=CC=CC=C1Cl C405475 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.4 CCOC1=CC=CC=C1N E100407 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.4 CCOC1=CC=CC=C1O E156224 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.4 CNCC1=CC=CC=C1Br B194652 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.4 CNCC1=CC=CC=C1Cl C469889 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.4 CNCC1=CC=CC=C1O H156922 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.20 C#CC1=CC=CC=C1CO E467035 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.20 C1=CC=C(C(=C1)CBr)C#N B102364 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.20 C1=CC=C(C(=C1)CBr)CBr D122697 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.20 C1=CC=C(C(=C1)CCl)C#N C139078 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.20 C1=CC=C(C(=C1)CCl)CCl A136426 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.20 C1=CC=C(C(=C1)CN)C#N A588803 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.20 C1=CC=C(C(=C1)CN)CN I167888 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.20 C1=CC=C(C(=C1)CN)CN I168565 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.20 C1=CC=C(C(=C1)CO)CBr B349692 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.20 C1=CC=C(C(=C1)CO)CO B152171 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.20 CCC1=CC=CC=C1C#N E472414 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.20 CCC1=CC=CC=C1C=C D123847 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.20 CCC1=CC=CC=C1C=C D123848 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.20 CCC1=CC=CC=C1C=C D123850 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.20 CCC1=CC=CC=C1C=C D123852 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.20 CCC1=CC=CC=C1C=C D123854 [1,0,0,0,0,0|1,0,1]=3 70 B10R1.20 CCC1=CC=CC=C1C=C D123856 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.20 CCC1=CC=CC=C1C=C D123857 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.20 CCC1=CC=CC=C1C=C D492376 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.20 CCC1=CC=CC=C1C=O E486931 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.20 CCC1=CC=CC=C1CC D108906 [1,0,0,0,0,0|1,0,0]=2 75 B10R1.20 CCC1=CC=CC=C1CC D130062 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.20 CCC1=CC=CC=C1CC D299535 [1,0,0,0,0,0|1,0,0]=2 77 B10R1.20 CCC1=CC=CC=C1CO E337904 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.20 CCC1=CC=CC=C1NN E124743 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.20 CCC1=CC=CC=C1NN E156300 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.20 CCC1=CC=CC=C1OC E156216 [1,0,0,0,0,0|0,0,0]=1 81 B10R1.20 CCC1=NC=CN=C1CC D154790 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.20 CCC1=NC=CN=C1OC E474282 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.20 CCC1=NC=CN=C1SC E156375 [1,0,0,0,0,0|2,1,0]=4 84 B10R1.20 CNC1=C(C=CC=N1)CO M183687 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.20 CNC1=CC=CC=C1C=O M195023 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.20 CNC1=CC=CC=C1NC N469082 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.20 CNC1=CC=CC=C1OC M468551 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.20 COC1=C(C=CC=N1)C#N M186266 [1,0,0,0,0,0|1,0,2]=4 89 B10R1.20 COC1=C(C=CC=N1)CO M172075 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.20 COC1=C(N=CC=C1)OC D133874 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.20 COC1=CC=CC=C1C#C M194979 [1,0,0,0,0,0|0,0,2]=3 92 B10R1.20 COC1=CC=CC=C1C#N M120888 [1,0,0,0,0,0|0,0,2]=3 93 B10R1.20 COC1=CC=CC=C1C=O M106414 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.20 COC1=CC=CC=C1CN M113482 [1,0,0,0,0,0|0,0,0]=1 95 B10R1.20 COC1=CC=CC=C1CO M104885 [1,0,0,0,0,0|1,0,0]=2 96 B10R1.20 COC1=CC=CC=C1NN M134728 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.20 COC1=CC=CC=C1OC V108546 [1,0,0,0,0,0|1,0,0]=2 98 B10R1.20 COC1=CC=CC=C1OC V108547 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.20 COC1=CC=CC=C1OC V108548 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.20 COC1=CC=CC=C1SC M101845 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.20 CSC1=CC=CC=C1C=O M157862 [1,0,0,0,0,0|1,1,1]=4 102 B12R1.75 CC(=O)NC1=CC=CC=C1OC O159959 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.75 CC(=O)OC1=CC=CC=C1OC M158132 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.75 CC(C)CC1=NC=CN=C1OC I137130 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.75 COC1=CC=CC=C1CC(=O)O M115485 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.75 COC1=CC=CC=C1NC(=S)N M167463 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.77 CCC(C)C1=NC=CN=C1OC E133284 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.77 COC1=CC=CC=C1C(=O)CBr B133368 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.77 COC1=CC=CC=C1C(=O)NN M357155 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.77 COC1=CC=CC=C1C(=O)OC M158128 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.112 COC1=C(C=CC(=C1)Br)CC#N B187179 [0,1,0,0,0,0|0,0,2]=3 112 B12R1.121 C1=CC=C(C(=C1)C=O)OCCO H140267 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.121 COC1=CC=CC=C1C=CC=O M414411 [0,1,0,0,0,0|1,0,2]=4 114 B12R1.121 COC1=CC=CC=C1OCCBr B133710 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.121 COC1=CC=CC=C1OCCN M123287 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.121 COC1=CC=CC=C1OCCN M132035 [0,1,0,0,0,0|0,0,0]=1 117 B12R1.169 CCOC1=CC=CC=C1OCC D155734 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.268 CC1=CC(=C(C=C1)OC)N=C=S B301165 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.283 C1=CC=C(C(=C1)CCBr)[N+](=O)[O-] N167803 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.283 C1=CC=C(C(=C1)CCO)[N+](=O)[O-] N138272 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.283 CCOC1=CC=CC=C1C(=O)C E156514 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN B482304 [0,0,0,1,0,0|0,1,2]=4 123 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CBr B588941 [0,0,0,1,0,0|2,0,1]=4 124 B12R2.18 C1C(C(C2=CC=CC=C21)N)O A115645 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.18 C1C(C(C2=CC=CC=C21)N)O A117276 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.18 C1C(C(C2=CC=CC=C21)N)O R160940 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.18 C1C(C(C2=CC=CC=C21)N)O S161027 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br B152972 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.18 C1C(C(C2=CC=CC=C21)O)O D155713 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.18 CC1CC2=CC=CC=C2C1=O M587676 [0,0,0,1,0,0|3,0,0]=4 131 B12R2.18 CN1C(=O)CC2=CC=CC=C21 M115489 [0,0,0,1,0,0|2,0,1]=4 132 B12R2.18 CN1C2=CC=CC=C2N=C1N A167705 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.24 C1C(=O)NC2=CC=CC=C2O1 H157370 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,1,0,0|2,0,1]=4 135 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.315 COC1=C2C(=CC=C1)SC=N2 M588648 [0,0,0,1,0,0|2,0,1]=4 137 B12R2.315 COC1=CC=CC2=C1C=CN2 M123499 [0,0,0,1,0,0|0,0,2]=3 138 B12R2.315 COC1=CC=CC2=C1NC=C2 M123430 [0,0,0,1,0,0|2,0,1]=4 139 B12R2.315 COC1=NC=CC2=C1C=CN2 M178417 [0,0,0,1,0,0|1,0,2]=4 140 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T102999 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113718 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T113722 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.1081 C1CC(C2=CC=CC=C2C1)N T401554 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.1081 C1CC(C2=CC=CC=C2C1)O R160835 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.1081 C1CC(C2=CC=CC=C2C1)O S161373 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.1081 C1CC(C2=CC=CC=C2C1)O T161537 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 T106838 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 T172481 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.1081 C1COC(=O)C2=CC=CC=C21 I157658 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.1081 CC1C2=CC=CC=C2CCN1 M193575 [0,0,0,1,0,0|1,0,0]=2 151 B12R2.1081 CC1CNCC2=CC=CC=C12 P165923 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.8 C1=CC(=CN=C1)CCN A151786 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 C1=CC(=CN=C1)CCN A169450 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [2,0,0,0,0,0|1,0,1]=4 155 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|1,0,1]=4 156 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|1,0,1]=4 158 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.8 C1=CC=C(C=C1)CCI I138375 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.8 C1=CC=C(C=C1)CCN P105641 [2,0,0,0,0,0|0,0,0]=2 162 B9R1.8 C1=CC=C(C=C1)CCN P160641 [2,0,0,0,0,0|0,0,0]=2 163 B9R1.8 C1=CC=C(C=C1)CCN P290339 [2,0,0,0,0,0|0,0,0]=2 164 B9R1.8 C1=CC=C(C=C1)CCN P408003 [2,0,0,0,0,0|0,0,0]=2 165 B9R1.8 C1=CC=C(C=C1)CCN P421867 [2,0,0,0,0,0|0,0,0]=2 166 B9R1.8 C1=CC=C(C=C1)CCN P425250 [2,0,0,0,0,0|0,0,0]=2 167 B9R1.8 C1=CC=C(C=C1)CCN P491880 [2,0,0,0,0,0|0,0,0]=2 168 B9R1.8 C1=CC=C(C=C1)CCN P493037 [2,0,0,0,0,0|0,0,0]=2 169 B9R1.8 C1=CC=C(C=C1)CCN P493125 [2,0,0,0,0,0|0,0,0]=2 170 B9R1.8 C1=CC=C(C=C1)CCO P108195 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 C1=CC=C(C=C1)CCO P108197 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 C1=CC=C(C=C1)CCO P424995 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 C1=CC=C(C=C1)CCS P160530 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.8 C1=CC=C(C=C1)CNN B122576 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 C1=CC=C(C=C1)CNN B137990 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 C1=CC=C(C=C1)CNN B464175 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.8 C1=CC=C(C=C1)CNO I137166 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 C1=CC=C(C=C1)CON O159948 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.8 C1=CC=C(C=C1)CON O189173 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 C1=CC=NC(=C1)CCN A151790 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.8 C1=CC=NC(=C1)CCO P160791 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 C1=CN=CC=C1CCN A109738 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.8 C1=CN=CC=C1CCS P134707 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 C1=CN=CC=C1CCS P478833 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|1,0,1]=4 188 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.8 CCCC1=CC=CC=N1 P160637 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.8 CCCC1=CC=NC=C1 P160632 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 CCNC1=CC=CC=C1 E103974 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 CCOC1=CC=CC=C1 E108654 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.8 CCOC1=CC=CC=C1 E108655 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.8 CCSC1=CC=CC=C1 E101809 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 C#CC1=CC=CC=C1N E176686 [2,0,0,0,0,0|1,0,1]=4 206 B9R1.15 C1=CC=C(C(=C1)C#N)N A107481 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.15 C1=CC=C(C(=C1)C#N)O H103175 [2,0,0,0,0,0|0,0,2]=4 208 B9R1.15 C1=CC=C(C(=C1)C=O)N A100686 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 C1=CC=C(C(=C1)C=O)O S103742 [2,0,0,0,0,0|1,0,1]=4 210 B9R1.15 C1=CC=C(C(=C1)C=O)O S103743 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.15 C1=CC=C(C(=C1)C=O)O S103745 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.15 C1=CC=C(C(=C1)C=O)O S103746 [2,0,0,0,0,0|1,0,1]=4 213 B9R1.15 C1=CC=C(C(=C1)CBr)Br B124758 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.15 C1=CC=C(C(=C1)CBr)Cl C135217 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.15 C1=CC=C(C(=C1)CBr)F F107111 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.15 C1=CC=C(C(=C1)CBr)I I101707 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.15 C1=CC=C(C(=C1)CBr)I I131028 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.15 C1=CC=C(C(=C1)CCl)Cl C136424 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.15 C1=CC=C(C(=C1)CCl)F F104448 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.15 C1=CC=C(C(=C1)CCl)I I472524 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.15 C1=CC=C(C(=C1)CN)Br B136382 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.15 C1=CC=C(C(=C1)CN)Br B184269 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.15 C1=CC=C(C(=C1)CN)Cl C100661 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.15 C1=CC=C(C(=C1)CN)Cl C298505 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [2,0,0,0,0,0|0,0,0]=2 227 B9R1.15 C1=CC=C(C(=C1)CO)Br B135325 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 C1=CC=C(C(=C1)CO)Cl C101747 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.15 C1=CC=C(C(=C1)CO)F F156600 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.15 C1=CC=C(C(=C1)CO)I I157441 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 C1=CC=C(C(=C1)CO)N A151122 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.15 C1=CC=C(C(=C1)CS)Br B101794 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.15 C1=CC=C(C(=C1)CS)Cl C101788 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.15 C1=CC=C(C(=C1)NN)Br B101712 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.15 C1=CC=C(C(=C1)NN)Cl C106485 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.15 C1=CC=C(C(=C1)NN)F F101710 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.15 C=CC1=CC=CC=C1N V303619 [2,0,0,0,0,0|1,0,1]=4 240 B9R1.15 CC1=C(C=CC=N1)CO W136400 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.15 CC1=C(N=CC=C1)CN A482619 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.15 CC1=CC=CC=C1C#C E117998 [2,0,0,0,0,0|0,0,2]=4 243 B9R1.15 CC1=CC=CC=C1C#N T103037 [2,0,0,0,0,0|0,0,2]=4 244 B9R1.15 CC1=CC=CC=C1C=C M100795 [2,0,0,0,0,0|0,0,2]=4 245 B9R1.15 CC1=CC=CC=C1C=O O159892 [2,0,0,0,0,0|1,0,1]=4 246 B9R1.15 CC1=CC=CC=C1CBr M139409 [2,0,0,0,0,0|1,0,0]=3 247 B9R1.15 CC1=CC=CC=C1CCl M101671 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.15 CC1=CC=CC=C1CN M158667 [2,0,0,0,0,0|0,0,0]=2 249 B9R1.15 CC1=CC=CC=C1CO M157901 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.15 CC1=CC=CC=C1CS M300495 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.15 CC1=CC=CC=C1NC N159021 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.15 CC1=CC=CC=C1NN T101278 [2,0,0,0,0,0|1,0,0]=3 253 B9R1.15 CC1=CC=CC=C1OC M158113 [2,0,0,0,0,0|0,0,0]=2 254 B9R1.15 CC1=NC=CN=C1OC M102551 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.15 CCC1=CC=CC=C1Br B138432 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.15 CCC1=CC=CC=C1C E140581 [2,0,0,0,0,0|0,0,0]=2 257 B9R1.15 CCC1=CC=CC=C1I E189052 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.15 CCC1=CC=CC=C1N E106226 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.15 CCC1=CC=CC=C1O E156225 [2,0,0,0,0,0|0,0,0]=2 260 B9R1.15 CCC1=CC=CC=C1S E101792 [2,0,0,0,0,0|0,1,0]=3 261 B9R1.15 CCC1=NC=CN=C1C E105685 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.15 CC[N+]1=CC=CC=C1C E303437 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.15 CNC1=C(C=CC=N1)N N589280 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.15 CNC1=CC=CC=C1Br B186004 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.15 CNC1=CC=CC=C1Cl C153908 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.15 CNC1=CC=CC=C1F F132815 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.15 CNC1=CC=CC=C1N I134172 [2,0,0,0,0,0|1,0,0]=3 268 B9R1.15 CNC1=CC=CC=C1N M106013 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.15 CNC1=CC=CC=C1O M194184 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.15 COC1=C(C=CC=N1)Br B120788 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.15 COC1=C(C=CC=N1)F F195529 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.15 COC1=C(C=CC=N1)I l102600 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.15 COC1=C(C=CC=N1)N M102591 [2,0,0,0,0,0|1,0,0]=3 275 B9R1.15 COC1=C(C=CC=N1)O M587025 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.15 COC1=C(C=NC=C1)I I195672 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.15 COC1=C(C=NC=C1)N A192813 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.15 COC1=C(N=CC=C1)Br B120786 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.15 COC1=C(N=CC=C1)Cl C135954 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.15 COC1=C(N=CC=C1)F F191342 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.15 COC1=C(N=CC=C1)N A165482 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.15 COC1=CC=CC=C1Br B109257 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.15 COC1=CC=CC=C1Cl C110652 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.15 COC1=CC=CC=C1F F120586 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.15 COC1=CC=CC=C1I I101929 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.15 COC1=CC=CC=C1N A103995 [2,0,0,0,0,0|0,0,0]=2 287 B9R1.15 COC1=CC=CC=C1N A103997 [2,0,0,0,0,0|0,0,0]=2 288 B9R1.15 COC1=CC=CC=C1N A141230 [2,0,0,0,0,0|0,0,0]=2 289 B9R1.15 COC1=CC=CC=C1N O160024 [2,0,0,0,0,0|0,0,0]=2 290 B9R1.15 COC1=CC=CC=C1O G112735 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.15 COC1=CC=CC=C1O G426764 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.15 COC1=CC=CC=C1S M101778 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.15 COC1=CC=CNC1=O M168513 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.15 COC1=NC=CN=C1N M589216 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.15 CSC1=CC=CC=C1Br B101843 [2,0,0,0,0,0|1,1,0]=4 296 B9R1.15 CSC1=CC=CC=C1Cl C101838 [2,0,0,0,0,0|1,1,0]=4 297 B9R1.15 CSC1=CC=CC=C1F F101836 [2,0,0,0,0,0|1,1,0]=4 298 B9R1.15 CSC1=CC=CC=C1N M158418 [2,0,0,0,0,0|0,1,0]=3 299 B9R1.15 CSC1=CC=CC=C1O M101847 [2,0,0,0,0,0|1,0,0]=3 300 B11R1.13 CC1=C(C=CC=C1F)CC#N F589270 [1,1,0,0,0,0|0,0,2]=4 301 B11R1.17 C1=CC=C(C(=C1)CCC#N)Cl C194792 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.17 C1=CC=C(C(=C1)O)OCCO H473338 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.17 CC1=CC=CC=C1OCC#N O170648 [1,1,0,0,0,0|0,0,2]=4 305 B11R1.17 CC1=CC=CC=C1OCC=C A354200 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.17 CC1=CC=CC=C1OCCN M169151 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.17 CCCCC1=CC=CC=C1N B151822 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCBr D165846 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN D154340 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO D134031 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CON O193693 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.86 C1=CC=C(C(=C1)CC(=O)N)Cl C483633 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H102037 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H425093 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O H501351 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.86 CC(C)OC1=CC=CC=C1O I119954 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.86 CC1=CC=CC=C1CC(=O)O T110067 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.86 CC1=CC=CC=C1NC(=O)N O159960 [1,1,0,0,0,0|1,0,1]=4 319 B11R1.86 CC1=CC=CC=C1NC(=S)N O159980 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.86 CN(C)CC1=CC=CC=C1O D155339 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.182 C1=CC(=C(C=C1N)CCO)N H305004 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.182 CC1=C(C=C(C=C1)F)CC#N F195116 [1,1,0,0,0,0|0,0,2]=4 323 B11R1.182 CCNC1=C(C=CC(=C1)O)C E156228 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.182 CCOC1=C(C=CC(=C1)C)O B301186 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)O B169012 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O S161140 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.222 C1=CC=C(C(=C1)C(CO)O)Cl S138159 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.222 CC1=CC=CC=C1C(=O)CBr B151855 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.222 CC1=CC=CC=C1C(=O)NN M300842 [1,1,0,0,0,0|1,0,1]=4 330 B11R1.222 CCC(=O)C1=CC=CC=C1C M182612 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.222 CCC(=O)C1=CC=CC=C1O H156886 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.222 CCC(C)C1=CC=CC=C1O S161080 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.605 C1=CC(=C(C(=C1)Cl)CCN)Cl D154341 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl D155746 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.37 CC1=CC(=C(C=C1)C=O)OC M589533 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.37 CC1=CC(=C(C=C1)OC)C#N M471258 [1,1,0,0,0,0|0,0,2]=4 337 B11R1.37 CC1=CC(=C(C=C1)OC)OC B135636 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.37 CC1=NC(=C(C=C1)OC)OC D187204 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.37 COC1=C(C=C(C=C1)Br)C#N B152143 [1,1,0,0,0,0|0,0,2]=4 340 B11R1.37 COC1=C(C=C(C=C1)Br)C=O B122612 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.37 COC1=C(C=C(C=C1)Br)CO B122798 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.37 COC1=C(C=C(C=C1)Br)OC B101976 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.37 COC1=C(C=C(C=C1)Cl)C#N C113558 [1,1,0,0,0,0|0,0,2]=4 344 B11R1.37 COC1=C(C=C(C=C1)Cl)C=O C123480 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.37 COC1=C(C=C(C=C1)Cl)OC C181970 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.37 COC1=C(C=C(C=C1)Cl)[N+]#N F113039 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.37 COC1=C(C=C(C=C1)F)C#N F135323 [1,1,0,0,0,0|0,0,2]=4 348 B11R1.37 COC1=C(C=C(C=C1)F)C=O F156574 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.37 COC1=C(C=C(C=C1)F)CBr B194667 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.37 COC1=C(C=C(C=C1)F)OC F156755 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.37 COC1=C(C=C(C=C1)I)C=O I469202 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.37 COC1=C(C=C(C=C1)N)C#N A192044 [1,1,0,0,0,0|0,0,2]=4 353 B11R1.37 COC1=C(C=C(C=C1)N)OC D154338 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.37 COC1=C(C=C(C=C1)O)C=O H192950 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.37 COC1=C(C=C(C=C1)O)OC D107922 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.37 COC1=C(C=C(C=N1)Br)CO B176227 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.37 COC1=C(C=C(C=N1)Cl)CO C169809 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.37 COC1=C(C=C(C=N1)F)CO F195484 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.37 COC1=C(C=CC(=C1)Br)C#N B183746 [1,1,0,0,0,0|0,0,2]=4 360 B11R1.37 COC1=C(C=CC(=C1)Br)C=O B124176 [1,1,0,0,0,0|1,0,1]=4 361 B11R1.37 COC1=C(C=CC(=C1)Br)CO B470462 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.37 COC1=C(C=CC(=C1)Cl)C=O C193805 [1,1,0,0,0,0|1,0,1]=4 363 B11R1.37 COC1=C(C=CC(=C1)Cl)CO C350374 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.37 COC1=C(C=CC(=C1)F)C#N F122747 [1,1,0,0,0,0|0,0,2]=4 365 B11R1.37 COC1=C(C=CC(=C1)F)C=O F124184 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.37 COC1=C(C=CC(=C1)N)C#N A151696 [1,1,0,0,0,0|0,0,2]=4 367 B11R1.37 COC1=C(C=CC(=C1)O)C=O H132034 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.37 COC1=C(N=C(C=C1)Cl)OC C165861 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.37 COC1=C(N=C(C=C1)I)OC I183671 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.37 COC1=C(N=CC(=C1)Br)OC B184979 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.37 COC1=C(N=CC(=C1)Cl)OC C169259 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.37 N#[N+]c1cc(Cl)ccc1OC D113772 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.53 B(C1=CC=CC=C1CC)(O)O E119633 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.53 B(C1=CC=CC=C1OC)(O)O M103135 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.53 C1=CC=C(C(=C1)CN)C(=O)O A165340 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.53 C1=CC=C(C(=C1)CN)[N+](=O)[O-] N169007 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.53 CC(=O)C1=C(C=CC=N1)OC E491135 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.53 CC(=O)C1=CC=CC=C1OC M139029 [1,1,0,0,0,0|0,0,1]=3 379 B11R1.53 CC(C)C1=NC=CN=C1OC I135731 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.53 CC(C1=CC=CC=C1CO)O H589527 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.53 CC(C1=CC=CC=C1OC)N S589866 [1,1,0,0,0,0|0,0,0]=2 382 B11R1.53 CCC1=CC=CC=C1C(=O)Cl E469650 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.53 CCC1=CC=CC=C1C(=O)O E134508 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.53 CCC1=CC=CC=C1[N+](=O)[O-] N117377 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.53 CN(C)C1=CC=CC=C1CN A589540 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.53 COC1=CC=CC=C1C(=O)Cl M158758 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.53 COC1=CC=CC=C1C(=O)N M132578 [1,1,0,0,0,0|0,0,1]=3 388 B11R1.53 COC1=CC=CC=C1C(=O)O M104362 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.53 COC1=CC=CC=C1[N+](=O)[O-] N108657 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.265 COC1=C(C(=CC=C1)Br)C#N B586753 [1,1,0,0,0,0|0,0,2]=4 391 B11R1.265 COC1=C(C(=CC=C1)Cl)OC C405483 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.265 COC1=C(C(=CC=C1)F)C#N F120873 [1,1,0,0,0,0|0,0,2]=4 393 B11R1.265 COC1=C(C(=CC=C1)F)C=O W131747 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.265 COC1=C(C=CC=C1Br)C#N B469797 [1,1,0,0,0,0|0,0,2]=4 395 B11R1.265 COC1=C(C=CC=C1Cl)C=O C192152 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.265 COC1=C(C=CC=C1F)C=O F120644 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.265 COC1=C(C=CC=C1O)C=O D304323 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.265 COC1=CC=CC(=C1C=O)O H124156 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.265 COC1=CC=CC(=C1OC)N D137315 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.265 COC1=CC=CC(=C1OC)O D473372 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.265 CSC1=C(C(=CC=C1)Cl)CO C346511 [1,1,0,0,0,0|1,1,0]=4 402 B13R1.51 COC1=C(C=CC(=C1)Br)CC(=O)O B586179 [0,2,0,0,0,0|1,0,1]=4 403 B13R1.89 COC1=CC=CC=C1C(C(=O)O)N A192458 [0,2,0,0,0,0|1,0,1]=4 404 B13R1.91 CC(CC1=CC=CC=C1OC)NC B301299 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.91 CC(CC1=CC=CC=C1OC)NC M424748 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.91 COC1=CC=CC=C1CC(=O)OC M158719 [0,2,0,0,0,0|1,0,1]=4 407 B13R1.380 C1=CC=C(C(=C1)CC#N)OC(F)F D193331 [0,2,0,0,0,0|0,0,2]=4 408 B13R1.380 CCOC1=CC=CC=C1CC(=O)O E156233 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.382 CCOC1=CC=CC=C1C(=O)NN E192013 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.382 CCOC1=CC=CC=C1C(=O)OC M158714 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.382 COC(=O)C1=CC=CC=C1CC#N C135985 [0,2,0,0,0,0|0,0,2]=4 412 B13R1.464 CCOC(=O)C1=CC=CC=C1OC E304511 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.2209 COC1=C(C=C(C=C1)F)C(=O)CBr B169724 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.1248 CCOC1=C(C=C(C=C1)C)OCC D331348 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.1248 CCOC1=C(C=C(C=C1)N)OCC D404259 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.1249 CCOC1=C(C=C(C=C1)C=O)OC E156509 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.1249 CNCC1=C(C=C(C=C1)OC)OC D189379 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.90 CC(COC1=CC=CC=C1OC)O M158681 [0,2,0,0,0,0|1,0,0]=3 419 B13R1.90 COC1=CC=CC=C1CCC(=O)O W137316 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.90 COC1=CC=CC=C1OCC(=O)N M300068 [0,2,0,0,0,0|0,0,1]=3 421 B13R1.90 COC1=CC=CC=C1OCC(=O)O M158255 [0,2,0,0,0,0|1,0,1]=4 422 B13R1.485 CCOC1=CC=CC=C1OCCBr E136547 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.355 CCOC1=C(C=CC(=C1)C#N)OC E156443 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.355 CCOC1=C(C=CC(=C1)C=O)OC E156510 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.355 COC1=CC(=C(C=C1)OC)CC#N D300061 [0,2,0,0,0,0|0,0,2]=4 426 B13R1.3911 COC1=CC=CC(=C1OC)CC#N D300257 [0,2,0,0,0,0|0,0,2]=4 427 B13R1.3911 COC1=CC=CC(=C1OC)CCN D357508 [0,2,0,0,0,0|0,0,0]=2 428 B11R2.10 C1=CC=C2C(=C1)N=C(O2)N B137603 [1,0,0,1,0,0|1,0,1]=4 429 B11R2.10 C1C(=O)CC2=CC=CC=C21 I111208 [1,0,0,1,0,0|1,0,1]=4 430 B11R2.10 C1C(CC2=CC=CC=C21)O H157338 [1,0,0,1,0,0|1,0,0]=3 431 B11R2.10 C1C2=CC=CC=C2OC1=O C103572 [1,0,0,1,0,0|1,0,1]=4 432 B11R2.10 CC1CC2=CC=CC=C2N1 M103558 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.10 CC1CC2=CC=CC=C2O1 D137493 [1,0,0,1,0,0|1,0,0]=3 434 B11R2.20 C1C=CCC2=CC=CC=C21 D155281 [1,0,0,1,0,0|1,0,1]=4 435 B11R2.20 C1CC2=C(C=CC=N2)OC1 D186135 [1,0,0,1,0,0|2,0,0]=4 436 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,1,0,0|1,0,1]=4 437 B11R2.20 C1CC2=CC=CC=C2NC1 T107484 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [1,0,0,1,0,0|2,0,0]=4 439 B11R2.20 C1CCC2=C(C1)C=CN=C2 T162590 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,1,0,0|1,0,0]=3 442 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,1,0,0|1,0,0]=3 443 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,1,0,0|1,0,0]=3 444 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,1,0,0|1,0,0]=3 445 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,1,0,0|0,0,2]=4 446 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [1,0,0,1,0,0|1,0,0]=3 447 B11R2.20 C1CNCC2=CC=CC=C21 T139420 [1,0,0,1,0,0|0,0,0]=2 448 B11R2.20 C1COC2=CC=CC=C2N1 H304033 [1,0,0,1,0,0|2,0,0]=4 449 B11R2.20 C1COC2=CC=CC=C2O1 B103171 [1,0,0,1,0,0|2,0,0]=4 450 B11R2.20 C1COCC2=CC=CC=C21 I122961 [1,0,0,1,0,0|1,0,0]=3 451 B11R2.106 C1=CC2=C(C(=C1)O)N=CN2 H404541 [1,0,0,1,0,0|1,0,1]=4 452 B11R2.106 C1=CC2=C(C=CN2)C(=C1)O H105121 [1,0,0,1,0,0|0,0,2]=4 453 B11R2.106 C1CC2=C(C1)C(=CC=C2)N A169551 [1,0,0,1,0,0|2,0,0]=4 454 B11R2.106 C1CC2=C(C1)C(=CC=C2)O I191362 [1,0,0,1,0,0|1,0,0]=3 455 B11R2.106 C1CNC2=C1C(=CC=C2)Br B590407 [1,0,0,1,0,0|1,0,0]=3 456 B11R2.106 C1COC2=CC=CC(=C21)N D194182 [1,0,0,1,0,0|2,0,0]=4 457 B11R2.106 CC1=C2C=CNC2=CC=C1 M107956 [1,0,0,1,0,0|0,0,2]=4 458 B11R2.106 CC1=C2C=NNC2=CC=C1 M169525 [1,0,0,1,0,0|1,0,1]=4 459 B11R2.1 C1C(=O)C2=CC=CC=C2O1 B119781 [1,0,0,1,0,0|1,0,1]=4 460 B11R2.1 C1C2=CC=CC=C2C(=O)N1 I170551 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,1,0,0|2,0,0]=4 463 B11R2.1 C1CC2=CC=CC=C2C1N A114505 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.1 C1CC2=CC=CC=C2C1N D186125 [1,0,0,1,0,0|1,0,0]=3 465 B11R2.1 C1CC2=CC=CC=C2C1N S192732 [1,0,0,1,0,0|1,0,0]=3 466 B11R2.1 C1CC2=CC=CC=C2C1N S469445 [1,0,0,1,0,0|1,0,0]=3 467 B11R2.1 C1CC2=CC=CC=C2C1O H157335 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.1 C1CC2=CC=CC=C2C1O H419517 [1,0,0,1,0,0|2,0,0]=4 469 B11R2.1 C1CC2=CC=CC=C2C1O H592262 [1,0,0,1,0,0|2,0,0]=4 470 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [1,0,0,1,0,0|1,0,0]=3 471 B11R2.1 CC1CNC2=CC=CC=C12 M589123 [1,0,0,1,0,0|1,0,0]=3 472 B13R2.581 COC1=C2C(=CC=C1)SC(=N2)N A151216 [0,1,0,1,0,0|1,0,1]=4 473 B13R2.582 COC1=CC=CC2=C1C(=NN2)N A468216 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.582 COC1=CC=CC2=C1C(=O)CC2 M123325 [0,1,0,1,0,0|1,0,1]=4 475 B13R2.5252 C1CCC(=O)C2=CC=CC=C2C1 T162135 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.162 C1CNC(=O)C2=C1C=CC(=C2)Br B187832 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.162 C1CNC(=O)C2=C1C=CC(=C2)O H334772 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.623 COC1=CC(=CC2=C1C=NN2)Br B177956 [0,1,0,1,0,0|1,0,1]=4 479 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCN T101154 [0,1,0,1,0,0|1,0,1]=4 480 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCN T113731 [0,1,0,1,0,0|1,0,1]=4 481 B13R2.1 C1=CC=C2C(=C1)C(=CN2)CCN T425100 [0,1,0,1,0,0|1,0,1]=4 482 B13R2.57 C1C(OC2=CC=CC=C2O1)CBr B470628 [0,1,0,1,0,0|1,0,0]=3 483 B13R2.57 C1C(OC2=CC=CC=C2O1)CN A170391 [0,1,0,1,0,0|0,0,0]=2 484 B13R2.57 C1C(OC2=CC=CC=C2O1)CO H136282 [0,1,0,1,0,0|1,0,0]=3 485 B13R2.573 CN1C=CC2=C1C=CC=C2OC M186431 [0,1,0,1,0,0|0,0,2]=4 486 B13R2.573 COC1=CC=CC2=C1CCC2=O M119749 [0,1,0,1,0,0|1,0,0]=3 487 B13R2.573 COC1=CC=CC2=C1OCC2=O M119783 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.135 CC[N+]1=C(OC2=CC=CC=C21)C E334734 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)Br B181577 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F F348881 [0,1,0,1,0,0|2,0,0]=4 491 B13R2.5569 CC(=O)C1=CC=CC2=C1CCC2 A151501 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.4818 CC1=C2C(=CC=C1)CCNC2=O M189610 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.342 C1CNC(=O)C2=C1C(=CC=C2)Br B189686 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.33 CC1=NC=CN1CCN M195358 [1,0,0,0,1,0|2,0,0]=4 495 B9R1.14 COC1=CSC=C1OC D103168 [1,0,0,0,1,0|2,0,0]=4