0 B12R1.286 CC1=C(C=C(C=C1)CC#N)OC M194391 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109576 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I109577 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.286 CC=CC1=CC(=C(C=C1)O)OC I427191 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.286 CCCC1=CC(=C(C=C1)O)OC M192495 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.286 COC1=C(C=CC(=C1)C=NO)O V169275 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.286 COC1=C(C=CC(=C1)CC#N)Br B586415 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.286 COC1=C(C=CC(=C1)CC#N)O H170413 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110640 [0,0,0,0,0,0|0,0,0]=0 9 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E110642 [0,0,0,0,0,0|0,0,0]=0 10 B12R1.286 COC1=C(C=CC(=C1)CC=C)O E427189 [0,0,0,0,0,0|0,0,0]=0 11 B12R1.286 COC1=C(C=CC(=C1)CCN)O A303971 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.286 COC1=C(C=CC(=C1)CCN)O M121758 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.286 COC1=C(C=CC(=C1)CCN)O M419970 [0,0,0,0,0,0|1,0,1]=2 14 B12R1.286 COC1=C(C=CC(=C1)CCO)O H168903 [0,0,0,0,0,0|1,0,1]=2 15 B11R1.189 CNCC1=CC(=CC=C1)OC M170257 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.189 COC1=CC=CC(=C1)CC#N M120894 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.189 COC1=CC=CC(=C1)CCBr M354174 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.189 COC1=CC=CC(=C1)CCN M123416 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.189 COC1=CC=CC(=C1)CCO M136341 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.189 COC1=CC=CC(=C1)N=C=O M132043 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.189 COC1=CC=CC(=C1)N=C=S M140584 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303863 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.192 C1=CC(=C(C=C1CCN)O)O A303864 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.192 C1=CC(=C(C=C1CCN)O)O D103111 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.192 C1=CC(=C(C=C1CCN)O)O D121757 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.192 C1=CC(=C(C=C1CCN)O)O H350369 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.192 C1=CC(=C(C=C1CCO)O)O H107675 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.192 C1=CC(=C(C=C1CCO)O)O H306005 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.192 C1=CC(=C(C=C1CCO)O)O H420486 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.192 C=CCC1=CC(=C(C=C1)O)O A151341 [1,0,0,0,0,0|0,0,0]=1 31 B11R1.192 CC1=C(C=CC(=C1)SC#N)O T338473 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.192 CCCC1=CC(=C(C=C1)O)O P588420 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.192 NCCC1=CC(=C(O)C=C1)O D408026 [1,0,0,0,0,0|1,0,1]=3 34 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O H157418 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.280 C1=CC(=C(C=C1CCl)C=O)O C346082 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.280 CC1=C(C=C(C=C1)C#N)OC M136274 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.280 CC1=C(C=C(C=C1)OC)OC D170028 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.280 CCC1=CC(=C(C=C1)O)C=O E344459 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.280 CCC1=CC(=C(C=C1)O)OC E111257 [1,0,0,0,0,0|0,0,1]=2 40 B11R1.280 COC1=C(C=CC(=C1)C#N)Br B180088 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.280 COC1=C(C=CC(=C1)C#N)F F124044 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.280 COC1=C(C=CC(=C1)C#N)N A182168 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.280 COC1=C(C=CC(=C1)C#N)O H156992 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.280 COC1=C(C=CC(=C1)C=C)O M137776 [1,0,0,0,0,0|0,0,0]=1 45 B11R1.280 COC1=C(C=CC(=C1)C=O)Br B184522 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.280 COC1=C(C=CC(=C1)C=O)Cl C190733 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.280 COC1=C(C=CC(=C1)C=O)F F108788 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.280 COC1=C(C=CC(=C1)C=O)O V100115 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.280 COC1=C(C=CC(=C1)C=O)O V128320 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.280 COC1=C(C=CC(=C1)C=O)O V141281 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.280 COC1=C(C=CC(=C1)C=O)O V420926 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.280 COC1=C(C=CC(=C1)C=O)O V431597 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.280 COC1=C(C=CC(=C1)CBr)F F181431 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.280 COC1=C(C=CC(=C1)CN)F A184856 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.280 COC1=C(C=CC(=C1)CN)O A586553 [1,0,0,0,0,0|1,0,0]=2 56 B11R1.280 COC1=C(C=CC(=C1)CN)O V103080 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.280 COC1=C(C=CC(=C1)CO)F F132370 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.280 COC1=C(C=CC(=C1)CO)O H103777 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.280 COC1=CC(=C(C=C1)Br)OC B111192 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.280 COC1=CC(=C(C=C1)F)OC F167967 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.280 COC1=CC(=C(C=C1)I)OC D155503 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.280 COC1=CC(=C(C=C1)O)OC D190590 [1,0,0,0,0,0|1,0,1]=3 63 B11R1.280 COC1=CC(=C(C=C1)S)OC D587856 [1,0,0,0,0,0|1,1,1]=4 64 B13R1.49 COC1=C(C=CC(=C1)C(=O)OC)O M102757 [0,1,0,0,0,0|1,0,2]=4 65 B13R1.49 COC1=C(C=CC(=C1)C(CN)O)O R132741 [0,1,0,0,0,0|1,0,1]=3 66 B13R1.52 CC(=O)CC1=CC(=C(C=C1)O)OC H169022 [0,1,0,0,0,0|0,0,1]=2 67 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H156999 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H344776 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O H423170 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.386 CC=CC1=CC(=C(C=C1)OC)OC M101498 [0,1,0,0,0,0|0,0,2]=3 71 B13R1.386 CNCC1=CC(=C(C=C1)OC)OC D304240 [0,1,0,0,0,0|1,0,1]=3 72 B13R1.386 COC1=C(C=C(C=C1)CC#N)OC D124734 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.386 COC1=C(C=C(C=C1)CC=C)OC M101449 [0,1,0,0,0,0|0,0,0]=1 74 B13R1.386 COC1=C(C=C(C=C1)CCBr)OC D469173 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.386 COC1=C(C=C(C=C1)CCN)OC D107923 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.386 COC1=C(C=C(C=C1)CCO)OC D123568 [0,1,0,0,0,0|1,0,1]=3 77 B13R1.386 COC1=C(C=C(C=C1)N=C=S)OC D140601 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC E156219 [0,1,0,0,0,0|0,0,2]=3 79 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O H303757 [0,1,0,0,0,0|0,0,1]=2 80 B13R1.575 COC1=C(C=CC(=C1)C=CC=O)O H473328 [0,1,0,0,0,0|0,0,1]=2 81 B13R1.575 COC1=C(C=CC(=C1)C=CCO)O C170450 [0,1,0,0,0,0|0,0,2]=3 82 B13R1.575 COC1=C(C=CC(=C1)CCCO)O H136131 [0,1,0,0,0,0|0,0,2]=3 83 B13R2.449 C1COC2=C1C=C(C=C2)CCBr B152995 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.449 C1OC2=C(O1)C=C(C=C2)CC#N M158039 [0,0,0,1,0,0|1,0,1]=3 85 B13R2.449 C1OC2=C(O1)C=C(C=C2)CCN H181599 [0,0,0,1,0,0|1,0,1]=3 86 B13R2.449 C1OC2=C(O1)C=C(C=C2)N=C=O B301371 [0,0,0,1,0,0|2,0,1]=4 87 B13R2.449 C1OC2=C(O1)C=C(C=C2)N=C=S B301117 [0,0,0,1,0,0|2,0,1]=4 88 B13R2.599 COC1=C(C=C2C=CNC2=C1)Br B587697 [0,0,0,1,0,0|2,0,0]=3 89 B13R2.599 COC1=C(C=C2C=CNC2=C1)Cl C590666 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.599 COC1=C(C=C2C=NNC2=C1)Br B167488 [0,0,0,1,0,0|3,0,0]=4 91 B10R1.10 C1=CC(=CC(=C1)O)CC#N M350354 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.10 C1=CC(=CC(=C1)O)CCO H167016 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.10 CC1=CC(=CC=C1)CC#N M158779 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.10 CC1=CC(=CC=C1)CC=C A169645 [2,0,0,0,0,0|0,0,0]=2 95 B10R1.10 CC1=CC(=CC=C1)CCBr M332837 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.10 CC1=CC(=CC=C1)CCCl C193160 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.10 CC1=CC(=CC=C1)CCN M170979 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.10 CC1=CC(=CC=C1)CCO M157912 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.10 CC1=CC(=CC=C1)CNC M158625 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.10 CCCC1=CC=CC(=C1)C P160391 [2,0,0,0,0,0|0,0,2]=4 101 B10R1.172 C=CC1=CC(=CC=C1)C=C D302176 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.172 C=CC1=CC(=CC=C1)C=O V168330 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.172 CCC1=CC(=CC=C1)C=O E192849 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.172 CCC1=CC(=CC=C1)CC D155005 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.172 CNC1=CC(=CC=C1)OC M167275 [2,0,0,0,0,0|1,0,1]=4 106 B10R1.172 COC1=CC(=CC=C1)OC D105919 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.172 COC1=CC(=NC=C1)CN M191852 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.172 COC1=CC(=NC=C1)CO M167781 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.172 COC1=CC=CC(=C1)C#C E123092 [2,0,0,0,0,0|0,0,2]=4 110 B10R1.172 COC1=CC=CC(=C1)C#N M107611 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.172 COC1=CC=CC(=C1)C=C V339129 [2,0,0,0,0,0|0,0,0]=2 112 B10R1.172 COC1=CC=CC(=C1)C=O M106420 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.172 COC1=CC=CC(=C1)CBr M299353 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.172 COC1=CC=CC(=C1)CCl M123139 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.172 COC1=CC=CC(=C1)CN M113479 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.172 COC1=CC=CC(=C1)CO M123137 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.172 COC1=CC=CC(=N1)C=O M115767 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.172 COC1=CC=CC(=N1)CBr B191147 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.172 COC1=CC=CC(=N1)CO M194298 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.172 COC1=CN=CC(=C1)C=O M115768 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.172 COC1=NC=CC(=C1)C=O M177294 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.172 COC1=NC=CC(=C1)CO M166644 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.1 C1=CC(=CC=C1CC#N)O H121848 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [2,0,0,0,0,0|1,0,1]=4 125 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.1 C=CCC1=CC=C(C=C1)O A589273 [2,0,0,0,0,0|0,0,0]=2 132 B10R1.1 CC1=CC=C(C=C1)CC=C A169644 [2,0,0,0,0,0|1,0,0]=3 133 B10R1.1 CC1=CC=C(C=C1)CC=O P586228 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [2,0,0,0,0,0|0,0,2]=4 135 B10R1.1 COCC1=CC=C(C=C1)O M170858 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.176 C1=CC(=C(C=C1C#N)O)O D154618 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.176 C1=CC(=C(C=C1C=O)Br)O B102178 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O C133077 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.176 C1=CC(=C(C=C1C=O)F)O F124318 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.176 C1=CC(=C(C=C1C=O)I)O H194131 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108634 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.176 C1=CC(=C(C=C1C=O)O)O D108636 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.176 C1=CC(=C(C=C1C=O)O)O D130075 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.176 C1=CC(=C(C=C1CN)O)O D167718 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.176 C1=CC(=C(C=C1CO)Br)O B133783 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 C1=CC(=C(C=C1CO)O)O D155345 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.176 CC1=C(C=C(C=C1)C=O)C D123177 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.176 CC1=C(C=C(C=C1)CCl)C C189378 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 CC1=C(C=C(C=C1)CN)C D132092 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.176 CC1=C(C=C(C=C1)CO)C D331591 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.176 CC1=C(C=CC(=C1)C=O)Br B186637 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.176 CC1=C(C=CC(=C1)C=O)Cl C353131 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 CC1=C(C=CC(=C1)C=O)F F120646 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.176 CC1=C(C=CC(=C1)C=O)O H124186 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.176 CC1=C(C=CC(=C1)CBr)F F129140 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.176 CC1=C(C=CC(=C1)CN)F F122788 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.176 CC1=C(C=CC(=C1)CO)Br B181609 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.176 CC1=C(C=CC(=C1)CO)F F183255 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.176 CC1=C(C=CC(=C1)OC)O H193776 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.176 CCC1=CC(=C(C=C1)O)Br B589769 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.176 CCC1=CC(=C(C=C1)O)O E165960 [2,0,0,0,0,0|0,0,1]=3 162 B10R1.30 CC1=C(C=C(C=C1)Br)OC B136005 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.30 CC1=C(C=C(C=C1)F)OC F305032 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.30 CC1=C(C=C(C=C1)N)OC M124256 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.30 CC1=CC(=C(C=C1)Br)OC B196086 [2,0,0,0,0,0|1,0,0]=3 166 B10R1.30 CC1=CC(=C(C=C1)C)OC D155516 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.30 CC1=CC(=C(C=C1)F)OC W135051 [2,0,0,0,0,0|1,0,0]=3 168 B10R1.30 CC1=CC(=C(C=C1)N)OC M472436 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.30 CC1=CC(=C(C=C1)O)C=O M157866 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.30 CC1=CC(=C(C=C1)O)OC M158094 [2,0,0,0,0,0|0,0,0]=2 171 B10R1.30 CC1=CC(=C(N=C1)Cl)OC C166455 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.30 CC1=NC(=C(C=C1)Br)OC B589982 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.30 CCC1=C(C=CC(=C1)C)C E404389 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.30 CCC1=C(C=CC(=C1)F)O E170137 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.30 CCC1=C(C=CC(=N1)C)O E134371 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.30 CCC1=C(C=CC(=N1)C)O E404399 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.30 COC1=C(C=CC(=C1)Br)Br D196105 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.30 COC1=C(C=CC(=C1)Br)Cl B124391 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.30 COC1=C(C=CC(=C1)Br)F B120997 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.30 COC1=C(C=CC(=C1)Br)N B122478 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.30 COC1=C(C=CC(=C1)Br)O B102096 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.30 COC1=C(C=CC(=C1)Cl)Br B124292 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl D191881 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.30 COC1=C(C=CC(=C1)Cl)O C153525 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.30 COC1=C(C=CC(=C1)F)Br B120994 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.30 COC1=C(C=CC(=C1)F)Cl C122584 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.30 COC1=C(C=CC(=C1)F)F D122594 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.30 COC1=C(C=CC(=C1)F)N F136326 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.30 COC1=C(C=CC(=C1)F)N F182198 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.30 COC1=C(C=CC(=C1)F)O F156738 [2,0,0,0,0,0|1,0,0]=3 191 B10R1.30 COC1=C(C=CC(=C1)I)Br B186427 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.30 COC1=C(C=CC(=C1)I)Cl C191291 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.30 COC1=C(C=CC(=C1)I)N I169689 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.30 COC1=C(C=CC(=C1)N)Br B122479 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.30 COC1=C(C=CC(=C1)N)Cl C122526 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.30 COC1=C(C=CC(=C1)N)F F185773 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.30 COC1=C(C=CC(=C1)N)N D185909 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.30 COC1=C(C=CC(=C1)N)O A122694 [2,0,0,0,0,0|1,0,0]=3 199 B10R1.30 COC1=C(C=CC(=C1)N)O A493765 [2,0,0,0,0,0|1,0,0]=3 200 B10R1.30 COC1=C(C=CC(=C1)O)Br B123474 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.30 COC1=C(C=CC(=C1)O)O M136895 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.30 COC1=CC(=O)C=CC1=O M140181 [2,0,0,0,0,0|1,0,1]=4 203 B12R1.280 C=CCC1=C(C(=CC=C1)C=O)O A135384 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.382 COC1=CC(=CC=C1)OCC#N M170649 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.382 COC1=CC=CC(=C1)CCCN M168141 [1,1,0,0,0,0|0,0,2]=4 206 B12R1.382 COC1=CC=CC(=C1)CN=C=O M171043 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O M189890 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.438 CC(=O)CC1=CC(=CC=C1)OC M138635 [1,1,0,0,0,0|0,0,1]=3 209 B12R1.438 COC1=CC=CC(=C1)CC(=O)O M115481 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O B489539 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.19 C1=CC(=C(C=C1CC(=O)O)F)O F184619 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D106475 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O D420377 [1,1,0,0,0,0|1,0,0]=3 214 B12R1.19 CC(=O)CC1=CC(=C(C=C1)O)O D169021 [1,1,0,0,0,0|0,0,1]=3 215 B12R1.19 CC1=C(C=C(C=C1)CC(=O)O)C D182074 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.44 C1=C(C=C(C(=C1O)O)O)CCN H351447 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.288 COC1=C(C=C(C=C1)CCN)O H185776 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O D134211 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O D424709 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O L335487 [1,1,0,0,0,0|1,0,1]=4 221 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O L424417 [1,1,0,0,0,0|1,0,1]=4 222 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O N107258 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O N109573 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O N336285 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O R135061 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.367 C1=CC(=C(C=C1[C@H](CN)O)O)O N301475 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.367 NCC(O)C1=CC(=C(O)C=C1)O N408442 [1,1,0,0,0,0|1,0,1]=4 228 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN H135753 [1,1,0,0,0,0|1,0,1]=4 229 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN H197233 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.1123 C1=C(C(=CC(=C1O)O)O)CCN H425227 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC F123263 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H156885 [1,1,0,0,0,0|0,0,1]=3 233 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)OC H424289 [1,1,0,0,0,0|0,0,1]=3 234 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)OC M123414 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl C153822 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F F123929 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)N A122444 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V104428 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O V420927 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.56 COC1=C(C=CC(=C1)C(=O)[O-])O S161403 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O N159820 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.78 CCC1=CC(=C(C=C1)OC)OC E194090 [1,1,0,0,0,0|0,0,1]=3 243 B12R1.78 COC1=C(C=C(C=C1)C#C)OC D589107 [1,1,0,0,0,0|0,0,2]=4 244 B12R1.78 COC1=C(C=C(C=C1)C#N)OC D134348 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.78 COC1=C(C=C(C=C1)C=C)OC D134400 [1,1,0,0,0,0|0,0,0]=2 246 B12R1.78 COC1=C(C=C(C=C1)C=O)OC D108637 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.78 COC1=C(C=C(C=C1)CCl)OC D186293 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.78 COC1=C(C=C(C=C1)CN)OC D113397 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.78 COC1=C(C=C(C=C1)CO)OC V162979 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.78 COC1=C(C=C(C=C1)CO)OC V426970 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.78 COC1=C(N=C(C=C1)C=O)OC D165700 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.78 COC1=C(N=C(C=C1)CO)OC D185425 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.78 COC1=CC(=C(C=C1)CO)OC D134007 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.78 COC1=CC(=C(C=C1)OC)OC T107287 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.300 CC1=CC(=CC(=C1O)OC)C#N H174975 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.300 COC1=C(C(=CC(=C1)C#N)Br)O B152145 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O B122967 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O B299031 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.300 COC1=C(C(=CC(=C1)C=O)Cl)O C168275 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.300 COC1=C(C(=CC(=C1)C=O)F)O F124172 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O I157427 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O I471291 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O C168442 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.300 COC1=CC(=CC(=C1O)O)C=O H193175 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O B491448 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)F D294280 [1,1,0,0,0,0|2,0,0]=4 267 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O H113502 [0,2,0,0,0,0|1,0,0]=3 268 B14R1.626 CNCC(C1=CC(=C(C=C1)O)OC)O R134561 [0,2,0,0,0,0|0,0,2]=4 269 B14R1.626 CNCC(C1=CC(=C(C=C1)O)OC)O R334362 [0,2,0,0,0,0|0,0,2]=4 270 B14R1.3405 COC1=C(C=CC(=C1)CC(=O)OC)F M587222 [0,2,0,0,0,0|1,0,1]=4 271 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC D139264 [0,2,0,0,0,0|0,0,1]=3 272 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)O)OC D106270 [0,2,0,0,0,0|1,0,0]=3 273 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC D137579 [0,2,0,0,0,0|0,0,2]=4 274 B14R1.793 COC1=C(C=C(C=C1)CCCO)OC D351708 [0,2,0,0,0,0|0,0,2]=4 275 B14R1.42 CC(=O)C=CC1=CC(=C(C=C1)O)OC H156987 [0,2,0,0,0,0|0,0,1]=3 276 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117527 [0,2,0,0,0,0|0,0,1]=3 277 B14R1.42 CC(=O)CCC1=CC(=C(C=C1)O)OC V117528 [0,2,0,0,0,0|0,0,1]=3 278 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F103701 [0,2,0,0,0,0|0,0,1]=3 279 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F103702 [0,2,0,0,0,0|0,0,1]=3 280 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)O F111083 [0,2,0,0,0,0|0,0,1]=3 281 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O S334590 [0,2,0,0,0,0|0,0,1]=3 282 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O S422810 [0,2,0,0,0,0|0,0,1]=3 283 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H157223 [0,2,0,0,0,0|0,0,1]=3 284 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O H420683 [0,2,0,0,0,0|0,0,1]=3 285 B14R1.42 COC1=CC(=CC=C1O)/C=C/C(O)=O F408603 [0,2,0,0,0,0|0,0,1]=3 286 B14R1.3236 COC1=CC(=CC(=C1O)C=O)CC=C A151139 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN D478842 [0,2,0,0,0,0|1,0,1]=4 288 B12R2.44 COC1=CC2=C(C=C1)C=CN2 M123429 [1,0,0,1,0,0|1,0,0]=3 289 B12R2.44 COC1=CC2=C(C=C1)N=CN2 M124712 [1,0,0,1,0,0|2,0,0]=4 290 B12R2.44 COC1=CC2=C(C=C1)N=CS2 M183487 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.44 COC1=CC2=C(C=C1)NC=C2 M111475 [1,0,0,1,0,0|1,0,1]=4 292 B12R2.315 COC1=C2C(=CC=C1)SC=N2 M588648 [1,0,0,1,0,0|2,0,0]=4 293 B12R2.315 COC1=CC=CC2=C1C=CN2 M123499 [1,0,0,1,0,0|1,0,0]=3 294 B12R2.315 COC1=CC=CC2=C1NC=C2 M123430 [1,0,0,1,0,0|1,0,1]=4 295 B12R2.315 COC1=NC=CC2=C1C=CN2 M178417 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.100 C1=CNC2=CC(=C(C=C21)O)O D183610 [1,0,0,1,0,0|1,0,0]=3 297 B14R2.1008 C1COC2=C1C=C(C=C2)CC(=O)O D186108 [0,1,0,1,0,0|2,0,0]=4 298 B14R2.1008 C1OC2=C(O1)C=C(C=C2)CC(=O)O M136536 [0,1,0,1,0,0|1,0,0]=3 299 B14R2.82 COC1=C(C=C2C(=C1)C=CN2)OC D124832 [0,1,0,1,0,0|1,0,0]=3 300 B14R2.82 COC1=C(C=C2C(=C1)C=CS2)OC D590719 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.203 COC1=C(C=CC2=CC=CC=C21)Br B589676 [0,1,0,1,0,0|1,0,1]=4 302 B14R2.991 C1OC2=C(O1)C=C(C=C2)CN=C=S B301244 [0,1,0,1,0,0|1,0,1]=4 303 B14R2.991 C1OC2=C(O1)C=C(C=C2)NCCO B195964 [0,1,0,1,0,0|1,0,1]=4 304 B14R2.1128 COC1=C(C=C2C=NCCC2=C1)O H589182 [0,1,0,1,0,0|0,0,1]=3 305 B14R2.1128 COC1=CC2=CC=CC=C2C=C1Br B405166 [0,1,0,1,0,0|1,0,1]=4 306 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O M468878 [0,1,0,1,0,0|0,0,1]=3 307 B14R3.3022 C1OC2=C(O1)C=C3C(=C2)C=CN3 H192431 [0,0,0,2,0,0|1,0,0]=3