0 B11R1.3 B(C1=CC=C(C=C1)C=C)(O)O V102338 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.3 B(C1=CC=C(C=C1)C=O)(O)O F106771 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 C1=CC(=CC=C1C#N)C(Cl)Cl D304531 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C1=CC(=CC=C1C=O)C(=O)O F109559 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 C1=CC(=CC=C1C=O)[N+](=O)[O-] N104181 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O V117230 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] N404780 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.3 CC(=C)C1=CC=C(C=C1)OC M587638 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N C153682 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O A169740 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.3 CC(=O)C1=CC=C(C=C1)NC A196189 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 CC(=O)C1=CC=C(C=C1)OC M103875 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.3 CC(=O)C1=CC=C(C=C1)SC M101852 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 CC(C)C1=CC=C(C=C1)C#C E588290 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.3 CC(C)C1=CC=C(C=C1)C=O C117706 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.3 CC(C)C1=CC=C(C=C1)CBr I194820 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.3 CC(C)C1=CC=C(C=C1)CCl C191960 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.3 CC(C)C1=CC=C(C=C1)CN I184550 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.3 CC(C)C1=CC=C(C=C1)CO I107533 [0,0,0,0,0,0|0,0,2]=2 19 B11R1.3 CC(C)C1=CC=C(C=C1)NN L102556 [0,0,0,0,0,0|2,0,0]=2 20 B11R1.3 CC(C)C1=CC=C(C=C1)OC I157470 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.3 CC(C1=CC=C(C=C1)OC)N M100571 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 CC(C1=CC=C(C=C1)OC)N M106421 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 CC(C1=CC=C(C=C1)OC)N M185667 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.3 CC(C1=CC=C(C=C1)OC)O M169629 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 CCC1=CC=C(C=C1)C(=O)C E156360 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.3 CCC1=CC=C(C=C1)C(C)C E404444 [0,0,0,0,0,0|1,0,1]=2 27 B11R1.3 CN(C)C1=CC=C(C=C1)C#C E167950 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.3 CN(C)C1=CC=C(C=C1)C#N D154458 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.3 CN(C)C1=CC=C(C=C1)C=C N588011 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D109640 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D109644 [0,0,0,0,0,0|1,0,0]=1 32 B11R1.3 CN(C)C1=CC=C(C=C1)C=O D278973 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.3 CN(C)C1=CC=C(C=C1)CN D136160 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.3 CN(C)C1=CC=C(C=C1)CN D182429 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.3 CN(C)C1=CC=C(C=C1)CO D155714 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.3 CN(C)C1=CC=C(C=C1)CO D489122 [0,0,0,0,0,0|1,0,2]=3 37 B11R1.3 CN(C)C1=CC=C(C=C1)N=O N159022 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.3 CN(C)C1=CC=C(C=C1)OC M194673 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 CN(C)C1=CC=C(C=C1)[N+]#N D154347 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.3 CN(C)C1=CC=[N+](C=C1)C#N C121470 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.3 CN(C)C1=NC=C(C=N1)C=O D170966 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.3 C#CC1=CC=C(C=C1)C=O E139128 [1,0,0,0,0,0|0,0,2]=3 43 B10R1.3 C#CC1=CC=C(C=C1)CCl C586270 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 C#CC1=CC=C(C=C1)CO E302152 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 C1=CC(=CC=C1C=O)C#N F100751 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.3 C1=CC(=CC=C1C=O)C=O P105980 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.3 C1=CC(=CC=C1CBr)C#N C153839 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 C1=CC(=CC=C1CBr)C=O B184885 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.3 C1=CC(=CC=C1CBr)CBr D100654 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.3 C1=CC(=CC=C1CCl)C#N C101656 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.3 C1=CC(=CC=C1CCl)C=O C194802 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.3 C1=CC(=CC=C1CCl)CCl D104515 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 C1=CC(=CC=C1CN)C#N A132657 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.3 C1=CC(=CC=C1CN)CN P292859 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.3 C1=CC(=CC=C1CN)CN X113802 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 C1=CC(=CC=C1CN)CO A184295 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.3 C1=CC(=CC=C1CO)C#N H124046 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 C1=CC(=CC=C1CO)C=O H193722 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.3 C1=CC(=CC=C1CO)CCl W131919 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.3 C1=CC(=CC=C1CO)CO B107001 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.3 C1=CC(=CC=C1CS)CS B101791 [1,0,0,0,0,0|1,1,1]=4 62 B10R1.3 C1=CC(=CC=C1NO)N=O B101359 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.3 C1=CC(=NC=C1C=O)C#N F181154 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.3 C=CC1=CC=C(C=C1)C#N C478980 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.3 C=CC1=CC=C(C=C1)C=C P466823 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.3 C=CC1=CC=C(C=C1)C=O V587715 [1,0,0,0,0,0|0,0,2]=3 67 B10R1.3 C=CC1=CC=C(C=C1)CCl V141224 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.3 C=CC1=CC=C(C=C1)CCl V592268 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.3 C=CC1=CC=C(C=C1)CN V123986 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 CCC1=CC=C(C=C1)C#C E115541 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.3 CCC1=CC=C(C=C1)C#N E169049 [1,0,0,0,0,0|1,0,1]=3 72 B10R1.3 CCC1=CC=C(C=C1)C=O E102795 [1,0,0,0,0,0|0,0,0]=1 73 B10R1.3 CCC1=CC=C(C=C1)CC D107652 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.3 CCC1=CC=C(C=C1)CC D107653 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.3 CCC1=CC=C(C=C1)CCl E299918 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.3 CCC1=CC=C(C=C1)CCl E399766 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.3 CCC1=CC=C(C=C1)CO E156110 [1,0,0,0,0,0|0,0,2]=3 78 B10R1.3 CCC1=CC=C(C=C1)NN E185066 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.3 CCC1=CC=C(C=C1)OC E137475 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.3 CNC1=CC=C(C=C1)C#N M184657 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.3 CNC1=CC=C(C=C1)OC I133933 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.3 COC1=CC=C(C=C1)C#C M111332 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.3 COC1=CC=C(C=C1)C#N M111093 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.3 COC1=CC=C(C=C1)C=C M103131 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.3 COC1=CC=C(C=C1)C=O A108955 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.3 COC1=CC=C(C=C1)C=O A108956 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.3 COC1=CC=C(C=C1)C=O A108957 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.3 COC1=CC=C(C=C1)C=O A108958 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.3 COC1=CC=C(C=C1)C=O P421001 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.3 COC1=CC=C(C=C1)CCl M491599 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.3 COC1=CC=C(C=C1)CN M123767 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.3 COC1=CC=C(C=C1)CO M107568 [1,0,0,0,0,0|1,0,2]=4 93 B10R1.3 COC1=CC=C(C=C1)CS M101790 [1,0,0,0,0,0|1,1,1]=4 94 B10R1.3 COC1=CC=C(C=C1)CS M414622 [1,0,0,0,0,0|1,1,1]=4 95 B10R1.3 COC1=CC=C(C=C1)OC D104711 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.3 COC1=CC=C(C=C1)OC D137778 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.3 COC1=CC=C(C=C1)SC M101846 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.3 COC1=CC=C(C=C1)[N+]#N M123217 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.3 COC1=CC=C(C=C1)[N+]#[C-] M165558 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.3 COC1=CN=C(C=C1)C=O M182921 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.3 COC1=NC=C(C=C1)C=O M115769 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.3 COC1=NC=C(C=N1)C=O F337248 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.3 CSC1=CC=C(C=C1)C#N M101849 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.3 CSC1=CC=C(C=C1)C=O P133663 [1,0,0,0,0,0|1,0,0]=2 105 B10R1.3 CSC1=CC=C(C=C1)CCl M101851 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.3 CSC1=CC=C(C=C1)CO M101850 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.3 CSC1=NC=C(C=N1)C=O M178139 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F F156706 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 C1=CC(=CC=C1C(F)F)Br B184912 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 CC(=C)C1=CC=C(C=C1)F F156644 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.13 CC(=C)C1=CC=C(C=C1)O P193379 [1,0,0,0,0,0|0,0,3]=4 112 B10R1.13 CC(=O)C1=CC=C(C=C1)Br B106981 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.13 CC(=O)C1=CC=C(C=C1)Cl C103870 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 CC(=O)C1=CC=C(C=C1)F F101384 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.13 CC(=O)C1=CC=C(C=C1)I I107027 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110613 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.13 CC(=O)C1=CC=C(C=C1)N A110614 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.13 CC(=O)C1=CC=C(C=C1)N A151685 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.13 CC(=O)C1=CC=C(C=C1)O H102969 [1,0,0,0,0,0|1,0,2]=4 120 B10R1.13 CC(=O)C1=CC=C(C=C1)S M407301 [1,0,0,0,0,0|1,1,1]=4 121 B10R1.13 CC(C)C1=CC=C(C=C1)Br B102079 [1,0,0,0,0,0|1,0,0]=2 122 B10R1.13 CC(C)C1=CC=C(C=C1)I I587659 [1,0,0,0,0,0|1,0,0]=2 123 B10R1.13 CC(C)C1=CC=C(C=C1)N I101369 [1,0,0,0,0,0|1,0,0]=2 124 B10R1.13 CC(C)C1=CC=C(C=C1)N I106863 [1,0,0,0,0,0|1,0,0]=2 125 B10R1.13 CC(C)C1=CC=C(C=C1)O I101756 [1,0,0,0,0,0|0,0,1]=2 126 B10R1.13 CC(C)C1=CC=C(C=C1)S I101777 [1,0,0,0,0,0|0,1,0]=2 127 B10R1.13 CC(C)C1=NC=C(C=C1)Br B586459 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 CC(C)C1=NC=C(C=C1)N P176415 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 CC(C)C1CCC(=C)C=C1 P337471 [1,0,0,0,0,0|0,0,3]=4 130 B10R1.13 CC(C1=CC=C(C=C1)Br)N B113790 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 CC(C1=CC=C(C=C1)Br)N B151926 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.13 CC(C1=CC=C(C=C1)Br)N R138868 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 CC(C1=CC=C(C=C1)Br)N R409459 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.13 CC(C1=CC=C(C=C1)Br)O B153117 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 CC(C1=CC=C(C=C1)Br)O I131837 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C111118 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C171312 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 CC(C1=CC=C(C=C1)Cl)N C185668 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 CC(C1=CC=C(C=C1)Cl)N R588512 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.13 CC(C1=CC=C(C=C1)Cl)O C153305 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.13 CC(C1=CC=C(C=C1)Cl)O S196166 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.13 CC(C1=CC=C(C=C1)F)N F122770 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.13 CC(C1=CC=C(C=C1)F)N R303591 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.13 CC(C1=CC=C(C=C1)F)O F156599 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.13 CC(C1=CC=C(C=C1)I)N I195715 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.13 CC(C1=CC=C(C=C1)I)N L489513 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 CC(C1=CC=C(C=C1)I)N R489522 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 CC(C1=CC=C(C=C1)I)N S489515 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 CC(C1=CC=C(C=C1)N)O H167342 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 CC(C1=CC=C(C=C1)O)O H192225 [1,0,0,0,0,0|1,0,1]=3 151 B10R1.13 CC(C1=CN=C(C=C1)Cl)N C489471 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.13 CC(C1=NC=C(C=C1)Br)N B489562 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.13 CC(C1=NC=C(C=C1)Br)N R489263 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 CC(C1=NC=C(C=C1)Br)N S489604 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.13 CC1=CC=C(C=C1)C(=C)C I157628 [1,0,0,0,0,0|0,0,3]=4 156 B10R1.13 CC1=CC=C(C=C1)C(=O)C M106726 [1,0,0,0,0,0|1,0,2]=4 157 B10R1.13 CC1=CC=C(C=C1)C(=O)C M140798 [1,0,0,0,0,0|1,0,2]=4 158 B10R1.13 CC1=CC=C(C=C1)C(C)C D102667 [1,0,0,0,0,0|0,0,1]=2 159 B10R1.13 CC1=CC=C(C=C1)C(C)C D118512 [1,0,0,0,0,0|0,0,1]=2 160 B10R1.13 CC1=CC=C(C=C1)C(C)C I105448 [1,0,0,0,0,0|0,0,1]=2 161 B10R1.13 CC1=CC=C(C=C1)C(C)C I105449 [1,0,0,0,0,0|0,0,1]=2 162 B10R1.13 CC1=CC=C(C=C1)C(C)C I105451 [1,0,0,0,0,0|0,0,1]=2 163 B10R1.13 CC1=CC=C(C=C1)C(C)N D113666 [1,0,0,0,0,0|1,0,1]=3 164 B10R1.13 CC1=CC=C(C=C1)C(C)N P160184 [1,0,0,0,0,0|1,0,1]=3 165 B10R1.13 CC1=CC=C(C=C1)C(C)N R160847 [1,0,0,0,0,0|1,0,1]=3 166 B10R1.13 CC1=CC=C(C=C1)C(C)O P160711 [1,0,0,0,0,0|1,0,1]=3 167 B10R1.13 CC1=CC=C(C=C1)N(C)C N158974 [1,0,0,0,0,0|1,0,1]=3 168 B10R1.13 CC1=CC=C(C=C1)S(=O)C M304998 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.13 CC1=CC=C(CC1)C(C)C A151162 [1,0,0,0,0,0|0,0,3]=4 170 B10R1.13 CC1=CCC(=CC1)C(C)C G156812 [1,0,0,0,0,0|0,0,3]=4 171 B10R1.13 CC1=CCC(C=C1)C(C)C A151161 [1,0,0,0,0,0|0,0,3]=4 172 B10R1.13 CN(C)C1=CC=C(C=C1)Br B120305 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 CN(C)C1=CC=C(C=C1)F F156712 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 CN(C)C1=CC=C(C=C1)N D100438 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 CN(C)C1=CC=C(C=C1)N D105596 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.13 CN(C)C1=CC=C(C=C1)N D106285 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.13 CN(C)C1=CC=C(C=C1)N D110992 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.13 CN(C)C1=CC=C(C=C1)N D110993 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.13 CN(C)C1=CC=C(C=C1)N I168425 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.13 CN(C)C1=CC=C(C=C1)O D194230 [1,0,0,0,0,0|1,0,1]=3 181 B10R1.13 CN(C)C1=CC=C(C=C1)S D155401 [1,0,0,0,0,0|1,1,0]=3 182 B10R1.13 CN(C)C1=CC=[N+](C=C1)[O-] D154140 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.13 CN(C)C1=CN=C(C=C1)Br B588991 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.13 CS(=O)C1=CC=C(C=C1)Br B188392 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.13 C[S+](C)C1=CC=C(C=C1)O H156984 [1,0,0,0,0,0|1,0,1]=3 186 B12R1.5 COC(=O)C1=CC=C(C=C1)C=C M123351 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O M157838 [0,1,0,0,0,0|1,0,1]=3 188 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O M178757 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O M491770 [0,1,0,0,0,0|2,0,1]=4 190 B12R1.6 C1=CC(=CC=C1C=O)C(F)(F)F T106647 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.6 C1=CC(=NC=C1C(F)(F)F)C=O T135444 [0,1,0,0,0,0|3,0,0]=4 192 B12R1.6 C1=CC(=NC=C1C=O)C(F)(F)F T122658 [0,1,0,0,0,0|3,0,0]=4 193 B12R1.6 C=CC1=CC=C(C=C1)C(F)(F)F T161916 [0,1,0,0,0,0|3,0,0]=4 194 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C#C T189207 [0,1,0,0,0,0|1,0,1]=3 195 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C#N T161629 [0,1,0,0,0,0|1,0,1]=3 196 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=C T161986 [0,1,0,0,0,0|1,0,0]=2 197 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O B100836 [0,1,0,0,0,0|0,0,0]=1 198 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O B399787 [0,1,0,0,0,0|0,0,0]=1 199 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CBr B122799 [0,1,0,0,0,0|1,0,1]=3 200 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CCl T102226 [0,1,0,0,0,0|1,0,1]=3 201 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN T137589 [0,1,0,0,0,0|1,0,1]=3 202 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN T591006 [0,1,0,0,0,0|1,0,1]=3 203 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CO I136751 [0,1,0,0,0,0|0,0,2]=3 204 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CS T102231 [0,1,0,0,0,0|0,1,1]=3 205 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN T102557 [0,1,0,0,0,0|2,0,0]=3 206 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN T586902 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.6 CC(C)(C)C1=CC=C(C=C1)OC T162716 [0,1,0,0,0,0|2,0,0]=3 208 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O M185093 [0,1,0,0,0,0|2,0,0]=3 209 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C#C E305083 [0,1,0,0,0,0|1,1,1]=4 210 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=C T405115 [0,1,0,0,0,0|1,1,0]=3 211 B12R1.6 [B-](C1=CC=C(C=C1)C=O)(F)(F)F P137584 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.48 B(C1=CC(=C(C=C1)C=O)Cl)(O)O C179237 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.48 B(C1=CC(=C(C=C1)C=O)F)(O)O F104099 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.48 C1=CC(=C(C=C1C(=O)O)Br)C=O B195839 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.48 C1=CC(=C(C=C1C(=O)O)O)C=O F135039 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.48 C1=CC(=C(C=C1[N+](=O)[O-])F)C=O F140240 [0,1,0,0,0,0|3,0,0]=4 217 B12R1.48 CC(C1=CC(=C(C=C1)OC)Br)O B330553 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.48 CC(C1=CC(=C(C=C1)OC)F)O F357165 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)Cl C154094 [0,1,0,0,0,0|1,0,0]=2 220 B12R1.113 CC(=O)C1=CC=C(C=C1)N=C=O A170590 [0,1,0,0,0,0|1,0,2]=4 221 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=O I103626 [0,1,0,0,0,0|0,0,1]=2 222 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=O D299974 [0,1,0,0,0,0|1,0,1]=3 223 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O A100554 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.256 B(C1=CC=C(C=C1)C(=O)Cl)(O)O C303460 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.256 B(C1=CC=C(C=C1)C(=O)N)(O)O A101991 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.256 B(C1=CC=C(C=C1)C(=O)O)(O)O C101099 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.256 B(C1=CC=C(C=C1)C(C)C)(O)O I101120 [0,1,0,0,0,0|1,0,1]=3 228 B12R1.256 B(C1=CC=C(C=C1)N(C)C)(O)O D120055 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.256 B(C1=CC=C(C=C1)N(C)C)(O)O N189806 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.256 C1=CC(=CC=C1C(=N)N)C(=O)N A151415 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.256 C1=CC(=CC=C1C(=O)Cl)C(=O)Cl P108667 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.256 C1=CC(=CC=C1C(=O)Cl)C(=O)Cl P108668 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.256 C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] N106144 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.256 C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] N106145 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.256 C1=CC(=CC=C1C(=O)N)C(=O)N T162236 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.256 C1=CC(=CC=C1C(=O)N)C(=O)O T162190 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.256 C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] N108472 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P108506 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303203 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303204 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P420255 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104356 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104357 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N119544 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N305342 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N433134 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.256 C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] D154279 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.256 C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] Z282600 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.256 C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] N159060 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C D155466 [0,1,0,0,0,0|1,0,2]=4 251 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C D154226 [0,1,0,0,0,0|1,0,1]=3 252 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)Cl A301460 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O A151401 [0,1,0,0,0,0|1,0,1]=3 254 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C D123258 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] N105745 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C I121833 [0,1,0,0,0,0|0,0,0]=1 257 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O I107765 [0,1,0,0,0,0|0,0,0]=1 258 B12R1.256 CC(C)C1=CC=C(C=C1)C(C)C D155007 [0,1,0,0,0,0|1,0,1]=3 259 B12R1.256 CC(C)C1=CC=C(C=C1)[N+](=O)[O-] N159730 [0,1,0,0,0,0|1,0,0]=2 260 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])Br B587970 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N R194003 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N S161220 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])O N589797 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O D155093 [0,1,0,0,0,0|1,0,0]=2 265 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C I165342 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C T106470 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] N159863 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C B102291 [0,1,0,0,0,0|1,2,0]=4 269 B12R1.452 B(C1=C(C=C(C=C1)C=O)C)(O)O F181767 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.452 B(C1=C(C=C(C=C1)C=O)Cl)(O)O C586289 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.452 B(C1=C(C=C(C=C1)C=O)F)(O)O F139365 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.452 C1=CC(=C(C=C1C=O)F)[N+](=O)[O-] F156578 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.452 C1=CC(=C(C=C1C=O)O)[N+](=O)[O-] H137340 [0,1,0,0,0,0|3,0,0]=4 274 B12R2.9 C1CC1C2=CC=C(C=C2)C=O C191904 [0,0,0,1,0,0|0,0,0]=1 275 B10R1.31 CN(C)C1=CC=C(S1)C=O D192265 [0,0,0,0,1,0|2,0,0]=3 276 B12R1.4 C1=CC(=CC=C1C=O)OC(F)F D124182 [0,0,0,0,0,1|2,0,0]=3 277 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O A151024 [0,0,0,0,0,1|1,0,1]=3 278 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C V107256 [0,0,0,0,0,1|2,0,1]=4 279 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O A151684 [0,0,0,0,0,1|1,0,1]=3 280 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O I157425 [0,0,0,0,0,1|0,0,0]=1 281 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O I123152 [0,0,0,0,0,1|0,0,0]=1 282 B9R1.1 C1=CC(=CC=C1C=O)Br B109177 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.1 C1=CC(=CC=C1C=O)Br B419287 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.1 C1=CC(=CC=C1C=O)Cl C104155 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.1 C1=CC(=CC=C1C=O)F F109178 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.1 C1=CC(=CC=C1C=O)I I138274 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.1 C1=CC(=CC=C1C=O)N A303975 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.1 C1=CC(=CC=C1C=O)N A405596 [2,0,0,0,0,0|1,0,0]=3 289 B9R1.1 C1=CC(=CC=C1C=O)O H100420 [2,0,0,0,0,0|1,0,0]=3 290 B9R1.1 C1=CC(=CC=C1C=O)O H100421 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.1 C1=CC(=CC=C1C=O)O H431620 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 C1=CC(=CC=C1CN)F F111212 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.1 C1=CC(=CC=C1CN)F F292633 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.1 C1=CC(=CC=C1CN)F F292646 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.1 C1=CC(=CC=C1CN)F F404486 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.1 C1=CC(=CC=C1CN)I I171122 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.1 C1=CC(=CC=C1CN)N A151636 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.1 C1=CC(=CC=C1CN)N A193875 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.1 C1=CC(=CC=C1CN)O A139192 [2,0,0,0,0,0|1,0,1]=4 311 B9R1.1 C1=CC(=CC=C1CN)O A187992 [2,0,0,0,0,0|1,0,1]=4 312 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.1 C1=CC(=CC=C1CO)F F156598 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.1 C1=CC(=CC=C1CO)I I138398 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.1 C1=CC(=CC=C1CO)N A107272 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.1 C1=CC(=CC=C1CO)O H107912 [2,0,0,0,0,0|1,0,1]=4 318 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 C1=CC(=CC=C1CS)F F101796 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.1 C1=CC(=CC=C1N=O)O N159523 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.1 C1=CC(=NC=C1Br)C=O B119147 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.1 C1=CC(=NC=C1C=O)Br B115763 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.1 C1=CC(=NC=C1C=O)Cl C122666 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.1 C1=CC(=NC=C1C=O)F F185975 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.1 C1=CC(=NC=C1C=O)N A177224 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.1 C1=CC(=NC=C1Cl)C=O C154077 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.1 C1=CC(=NC=C1O)C=O H192663 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.1 C1=CC(=O)NC=C1C=O H179130 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.1 C=CC1=CC=C(C=C1)Br B102167 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.1 C=CC1=CC=C(C=C1)Cl C121719 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.1 C=CC1=CC=C(C=C1)F F107117 [2,0,0,0,0,0|2,0,0]=4 333 B9R1.1 C=CC1=CC=C(C=C1)F F407667 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.1 C=CC1=CC=C(C=C1)N A151485 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.1 C=CC1=CC=C(C=C1)O H189096 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.1 CC1=CC=C(C=C1)C#C E106375 [2,0,0,0,0,0|1,0,1]=4 337 B9R1.1 CC1=CC=C(C=C1)C#N P160229 [2,0,0,0,0,0|1,0,1]=4 338 B9R1.1 CC1=CC=C(C=C1)C=C M158348 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.1 CC1=CC=C(C=C1)C=O M105910 [2,0,0,0,0,0|0,0,0]=2 340 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [2,0,0,0,0,0|1,0,1]=4 341 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [2,0,0,0,0,0|1,0,1]=4 342 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [2,0,0,0,0,0|1,0,1]=4 343 B9R1.1 CC1=CC=C(C=C1)CN M158669 [2,0,0,0,0,0|1,0,1]=4 344 B9R1.1 CC1=CC=C(C=C1)CO M113648 [2,0,0,0,0,0|0,0,2]=4 345 B9R1.1 CC1=CC=C(C=C1)CS M113646 [2,0,0,0,0,0|0,1,1]=4 346 B9R1.1 CC1=CC=C(C=C1)NC N159024 [2,0,0,0,0,0|1,0,1]=4 347 B9R1.1 CC1=CC=C(C=C1)NN T109603 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.1 CC1=CC=C(C=C1)OC M106728 [2,0,0,0,0,0|1,0,1]=4 349 B9R1.1 CC1=CC=C(C=C1)SC M101848 [2,0,0,0,0,0|1,0,1]=4 350 B9R1.1 CC1=CN=C(C=C1)C=O M170606 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.1 CC1=CN=C(C=N1)C=O M176646 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.1 CC1=NC=C(C=C1)C=O W134999 [2,0,0,0,0,0|1,0,0]=3 353 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [2,0,0,0,0,0|1,0,0]=3 355 B9R1.1 CCC1=CC=C(C=C1)C E123489 [2,0,0,0,0,0|0,0,1]=3 356 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [2,0,0,0,0,0|1,0,0]=3 357 B9R1.1 CCC1=CC=C(C=C1)I E189089 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.1 CCC1=CC=C(C=C1)N E102230 [2,0,0,0,0,0|1,0,0]=3 359 B9R1.1 CCC1=CC=C(C=C1)O E115497 [2,0,0,0,0,0|0,0,1]=3 360 B9R1.1 CCC1=CC=C(C=C1)S E156190 [2,0,0,0,0,0|0,1,0]=3 361 B9R1.1 CCC1=CN=C(C=C1)C E101695 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.1 CCC1=CN=C(C=C1)N E587963 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.1 CC[N+]1=CC=C(C=C1)C E303436 [2,0,0,0,0,0|1,0,1]=4 364 B9R1.1 CNC1=CC=C(C=C1)Br B304406 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.1 CNC1=CC=C(C=C1)Cl C139458 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.1 CNC1=CC=C(C=C1)F F170454 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.1 CNC1=CC=C(C=C1)N N589686 [2,0,0,0,0,0|2,0,0]=4 368 B9R1.1 COC1=CC=C(C=C1)Br B108656 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.1 COC1=CC=C(C=C1)Cl C113571 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.1 COC1=CC=C(C=C1)F F123675 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.1 COC1=CC=C(C=C1)I I107035 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.1 COC1=CC=C(C=C1)I L359048 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.1 COC1=CC=C(C=C1)N A106071 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.1 COC1=CC=C(C=C1)N A615348 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.1 COC1=CC=C(C=C1)N P160121 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.1 COC1=CC=C(C=C1)O M104222 [2,0,0,0,0,0|1,0,1]=4 377 B9R1.1 COC1=CC=C(C=C1)S M101780 [2,0,0,0,0,0|1,1,0]=4 378 B9R1.1 COC1=CC=C(O)C=C1 M408201 [2,0,0,0,0,0|1,0,1]=4 379 B9R1.1 CSC1=CC=C(C=C1)Br B101844 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.1 CSC1=CC=C(C=C1)Cl C101840 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.1 CSC1=CC=C(C=C1)F F101837 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.1 CSC1=CC=C(C=C1)N M101835 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.1 CSC1=CC=C(C=C1)O M100813 [2,0,0,0,0,0|1,0,1]=4 384 B9R1.1 CSC1=CC=C(C=C1)S M101782 [2,0,0,0,0,0|1,1,0]=4 385 B9R1.6 C1=CC=C(C=C1)C(Br)Br D300412 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.6 C1=CC=C(C=C1)C(F)F D404169 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [2,0,0,0,0,0|0,0,2]=4 388 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [2,0,0,0,0,0|0,0,2]=4 389 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [2,0,0,0,0,0|0,0,2]=4 390 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [2,0,0,0,0,0|0,0,2]=4 391 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [2,0,0,0,0,0|1,0,1]=4 392 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [2,0,0,0,0,0|1,0,1]=4 393 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [2,0,0,0,0,0|1,0,1]=4 394 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [2,0,0,0,0,0|1,0,1]=4 395 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [2,0,0,0,0,0|1,0,1]=4 396 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [2,0,0,0,0,0|1,0,1]=4 397 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [2,0,0,0,0,0|1,0,1]=4 398 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [2,0,0,0,0,0|0,0,0]=2 399 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [2,0,0,0,0,0|0,0,0]=2 400 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [2,0,0,0,0,0|0,0,0]=2 401 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [2,0,0,0,0,0|1,0,0]=3 404 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.6 CC(C1=CC=CC=C1)N M105678 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.6 CC(C1=CC=CC=C1)N M105679 [2,0,0,0,0,0|1,0,0]=3 407 B9R1.6 CC(C1=CC=CC=C1)N M106714 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.6 CC(C1=CC=CC=C1)N M141280 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.6 CC(C1=CC=CC=C1)N R432669 [2,0,0,0,0,0|1,0,0]=3 410 B9R1.6 CC(C1=CC=CC=C1)N R432670 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.6 CC(C1=CC=CC=C1)N R432682 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.6 CC(C1=CC=CC=C1)N S135224 [2,0,0,0,0,0|1,0,0]=3 413 B9R1.6 CC(C1=CC=CC=C1)N S432505 [2,0,0,0,0,0|1,0,0]=3 414 B9R1.6 CC(C1=CC=CC=C1)O P100878 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.6 CC(C1=CC=CC=C1)O P103660 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.6 CC(C1=CC=CC=C1)O P113820 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.6 CC(C1=CC=CC=C1)O P165285 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.6 CC(C1=CC=CC=N1)N P589080 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.6 CC(C1=CC=CC=N1)O P191765 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.6 CC(C1=CC=CC=N1)O R404547 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.6 CC(C1=CC=CC=N1)O S161029 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.6 CC(C1=CC=NC=C1)N A467309 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.6 CC(C1=CC=NC=C1)O I170921 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.6 CC(C1=CC=NC=C1)O R192493 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.6 CC(C1=CN=CC=C1)N P193948 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.6 CN(C)C1=CC=CC=C1 D100060 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.6 CN(C)C1=CC=CC=C1 D100061 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.6 CN(C)C1=CC=CC=C1 D100063 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.6 CN(C)C1=CC=CC=N1 D154133 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.6 CN(C)C1=CC=NC=C1 C405558 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.6 CN(C)C1=CC=NC=C1 D109207 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.6 CN(C)C1=CC=NC=C1 D155582 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.6 CN(C1=CC=CC=C1)N M298692 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.6 CP(C)C1=CC=CC=C1 C118698 [2,0,0,0,0,0|1,0,0]=3 435 B9R1.6 CP(C)C1=CC=CC=C1 D115603 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [2,0,0,0,0,0|1,1,0]=4 439 B9R1.6 C[Si](C)C1=CC=CC=C1 D111809 [2,0,0,0,0,0|0,1,0]=3 440 B9R1.6 C[Si](C)C1=CC=CC=N1 D331179 [2,0,0,0,0,0|1,1,0]=4 441 B11R1.83 C1=CC(=CC=C1CCBr)C#N B194753 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.83 C1=CC(=CC=C1CCN)C#N A167799 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.83 C1=CC(=CC=C1CCO)C#N H134819 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.83 CC=CC1=CC=C(C=C1)OC A111314 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.83 CC=CC1=CC=C(C=C1)OC A119294 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.83 CC=CC1=CC=C(C=C1)OC P136392 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.83 CC=CC1=CC=C(C=C1)OC T423891 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.83 CCC1=CC=C(C=C1)N=C=O E156038 [1,1,0,0,0,0|0,0,1]=3 449 B11R1.83 CCC1=CC=C(C=C1)N=C=S E140567 [1,1,0,0,0,0|0,1,1]=4 450 B11R1.83 CCC1=CC=C(C=C1)OCC E156094 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.83 CCCC1=CC=C(C=C1)C#C N115542 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.83 CCCC1=CC=C(C=C1)C=O P135756 [1,1,0,0,0,0|0,0,0]=2 453 B11R1.83 CCCC1=CC=C(C=C1)OC M586236 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.83 CCOC1=CC=C(C=C1)C#C E156344 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.83 CCOC1=CC=C(C=C1)C#N E156327 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.83 CCOC1=CC=C(C=C1)C=C E477029 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.83 CCOC1=CC=C(C=C1)C=O E137923 [1,1,0,0,0,0|0,0,0]=2 458 B11R1.83 CCOC1=CC=C(C=C1)CCl C194480 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.83 CCOC1=CC=C(C=C1)CO E156108 [1,1,0,0,0,0|0,0,2]=4 460 B11R1.83 CNCC1=CC=C(C=C1)C#N M183867 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.83 CNCC1=CC=C(C=C1)OC M121878 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.83 CNCC1=CC=C(C=C1)OC M187530 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.83 COC1=CC=C(C=C1)CC=C A151340 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.83 COC1=CC=C(C=C1)CC=C A421524 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.83 COC1=CC=C(C=C1)CC=O M193998 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.83 COC1=CC=C(C=C1)CCBr M353698 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.83 COC1=CC=C(C=C1)CCN M106422 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.83 COC1=CC=C(C=C1)CCO M124605 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.83 COC1=CC=C(C=C1)CCO M493169 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.83 COC1=CC=C(C=C1)N=C=O M157830 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.83 COC1=CC=C(C=C1)NC=O M158339 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.83 COCC1=CC=C(C=C1)OC M158116 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.83 CSC1=CC=C(C=C1)N=C=O M167730 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.279 C1=CC(=C(C=C1C#N)F)C=O C179065 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.279 C1=CC(=C(C=C1C#N)O)C=O F590287 [1,1,0,0,0,0|1,0,1]=4 476 B11R1.279 C1=CC(=C(C=C1C=O)F)C#N F156617 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.279 C1=CC(=C(C=C1C=O)O)C=O H304508 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.279 CC1=C(C=CC(=C1)C#N)C=O F588526 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.279 CC1=C(C=CC(=C1)C=O)OC M133647 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.279 CC1=C(C=CC(=C1)OC)C=O M124189 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.279 COC1=C(C=C(C=C1)C=O)Br B133393 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.279 COC1=C(C=C(C=C1)C=O)Cl C153252 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.279 COC1=C(C=C(C=C1)C=O)F F122618 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.279 COC1=C(C=C(C=C1)C=O)I I168830 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.279 COC1=C(C=C(C=C1)C=O)O I113433 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.279 COC1=CC(=C(C=C1)C=O)Br B134162 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.279 COC1=CC(=C(C=C1)C=O)Cl C589430 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.279 COC1=CC(=C(C=C1)C=O)F F120910 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.279 COC1=CC(=C(C=C1)C=O)O H106333 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.279 COC1=CC(=C(C=C1)C=O)O H425389 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.279 COC1=CC(=C(C=C1)N=O)O N159106 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br B110129 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl T136308 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I B100840 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N T139258 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O B110664 [1,1,0,0,0,0|0,0,1]=3 497 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O B110665 [1,1,0,0,0,0|0,0,1]=3 498 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O B110666 [1,1,0,0,0,0|0,0,1]=3 499 B11R1.19 CC(C)(C)C1=CC=C(C=C1)S T294572 [1,1,0,0,0,0|0,1,0]=3 500 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] T168874 [1,1,0,0,0,0|1,0,1]=4 501 B11R1.19 CC(C)(C)C1=NC=C(C=C1)N T588995 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.19 CC(C)(C1=CC=C(C=C1)Br)O B182676 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.19 CC(C)(C1=CC=C(C=C1)Cl)O C302695 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.19 CC(C)(C1=CC=C(C=C1)F)O F156597 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.19 CC(C)(C1=NC=C(C=C1)Br)O B588593 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F B165334 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C T115327 [1,1,0,0,0,0|0,0,1]=3 508 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)Br B152474 [1,1,0,0,0,0|1,1,0]=4 509 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)F F589167 [1,1,0,0,0,0|1,1,0]=4 510 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br B151827 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.21 CC(C1=CC(=C(C=C1)F)F)O D183665 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.21 CC1=C(C=C(C=C1)C(C)C)N M158615 [1,1,0,0,0,0|0,0,1]=3 513 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O C107162 [1,1,0,0,0,0|0,0,1]=3 514 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O C424298 [1,1,0,0,0,0|0,0,1]=3 515 B11R1.21 CC1=C(C=CC(=C1)N(C)C)Br B151808 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.22 C1=CC(=CC=C1C(CN)O)O O101521 [1,1,0,0,0,0|1,0,1]=4 517 B11R1.22 C1=CC(=CC=C1C(CO)N)Br A587986 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.22 CCC(C)C1=CC=C(C=C1)Br B136925 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.22 CCC(C)C1=CC=C(C=C1)N S161429 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [1,1,0,0,0,0|0,0,1]=3 521 B11R1.22 CCC(C1=CC=C(C=C1)Cl)N C489594 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.22 NCC(O)C1=CC=C(O)C=C1 O408184 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.166 CC(C)C1=C(C=C(C=C1)O)O I588310 [1,1,0,0,0,0|0,0,1]=3 524 B11R1.166 CC(C1=C(C=C(C=C1)Cl)Cl)N D154339 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.166 CC(C1=C(C=C(C=C1)Cl)Cl)N R587009 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.166 CC(C1=C(C=C(C=C1)Cl)Cl)O D155730 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C I157507 [1,1,0,0,0,0|0,0,1]=3 528 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104425 [1,1,0,0,0,0|0,0,1]=3 529 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T104426 [1,1,0,0,0,0|0,0,1]=3 530 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T118449 [1,1,0,0,0,0|0,0,1]=3 531 B11R1.166 CC1=CC(=C(C=C1)C(C)C)O T426745 [1,1,0,0,0,0|0,0,1]=3 532 B11R1.166 C[S+](C)C1=C(C=C(C=C1)O)O D349670 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.175 CC(C)C1=CC(=NN1)C(=O)O I469865 [0,1,0,0,1,0|2,0,0]=4 534 B11R1.175 CC(C)N1C=C(C=N1)C(=O)O I170356 [0,1,0,0,1,0|2,0,0]=4 535 B13R1.4 C1=CC(=CC=C1C=O)OC(F)(F)F T161533 [0,1,0,0,0,1|2,0,0]=4 536 B13R1.4 C1=CC(=CC=C1C=O)SC(F)(F)F T123713 [0,1,0,0,0,1|2,0,0]=4 537 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)C=C T405560 [0,1,0,0,0,1|1,0,0]=3 538 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)C=O T161497 [0,1,0,0,0,1|0,0,0]=2 539 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)CN T137064 [0,1,0,0,0,1|1,0,1]=4 540 B13R1.4 CS(=O)(=O)NC1=CC=C(C=C1)C=O M186841 [0,1,0,0,0,1|2,0,0]=4 541 B13R1.4 C[N+](C)(C)CC1=CC=C(C=C1)C=C V474284 [0,1,0,0,0,1|2,0,0]=4 542 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O B301263 [0,1,0,0,0,1|1,0,1]=4 543 B13R1.5 COC(=O)CC1=CC=C(C=C1)C=O M590868 [0,1,0,0,0,1|1,0,1]=4 544 B13R1.585 B(C1=CC=C(C=C1)OC(C)C)(O)O I103104 [0,1,0,0,0,1|1,0,1]=4 545 B13R1.585 B(C1=CC=C(C=C1)SC(C)C)(O)O I342861 [0,1,0,0,0,1|1,0,1]=4 546 B13R1.585 C1=CC(=CC=C1C(=O)O)OC(F)F D138896 [0,1,0,0,0,1|2,0,0]=4 547 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)C A151745 [0,1,0,0,0,1|1,0,1]=4 548 B13R1.585 CC(=O)C1=CC=C(C=C1)OC(=O)C A151754 [0,1,0,0,0,1|1,0,1]=4 549 B13R1.585 CC(=O)C1=CC=C(C=C1)OC(F)F D140248 [0,1,0,0,0,1|2,0,0]=4 550 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)O A107219 [0,1,0,0,0,1|1,0,1]=4 551 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O A107224 [0,1,0,0,0,1|1,0,1]=4 552 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)C I135493 [0,1,0,0,0,1|0,0,0]=2 553 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O I157572 [0,1,0,0,0,1|0,0,0]=2 554 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O I157545 [0,1,0,0,0,1|0,0,0]=2 555 B13R1.585 CC(C)OC1=CC=C(C=C1)[N+](=O)[O-] I303269 [0,1,0,0,0,1|1,0,0]=3 556 B13R1.585 CC(C)OC1=NC=C(C=C1)C(=O)O I192144 [0,1,0,0,0,1|1,0,0]=3 557 B13R1.653 C1=CC(=C(C=C1C=O)O)OC(F)F D131994 [0,1,0,0,0,1|2,0,0]=4 558 B13R1.39 CCN(CC)C1=CC=C(C=C1)C=O D104213 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.39 CCN(CC)C1=CC=C(C=C1)N=O N159064 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.39 COC1=CC=C(C=C1)C(OC)OC A111315 [0,2,0,0,0,0|2,0,0]=4 561 B13R1.452 CN(CCO)C1=CC=C(C=C1)C=O I166407 [0,2,0,0,0,0|1,0,0]=3 562 B13R1.537 CC(=O)C1=CC=C(C=C1)C(=O)OC M123077 [0,2,0,0,0,0|1,0,1]=4 563 B13R1.537 CC(C#N)C1=CC=C(C=C1)[N+](=O)[O-] N170656 [0,2,0,0,0,0|1,0,1]=4 564 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)OC M404763 [0,2,0,0,0,0|0,0,0]=2 565 B13R1.537 CC(C1=CC=C(C=C1)C(=O)OC)Br M191325 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.537 CC(C1=CC=C(C=C1)C(=O)OC)N R188058 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.537 CC(C1=CC=C(C=C1)C(=O)OC)N S195269 [0,2,0,0,0,0|1,0,0]=3 568 B13R1.537 CCC(C)C1=CC=C(C=C1)[N+](=O)[O-] S160992 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)OC M132215 [0,2,0,0,0,0|1,0,0]=3 570 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)Cl M123590 [0,2,0,0,0,0|1,0,1]=4 571 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O M106178 [0,2,0,0,0,0|1,0,1]=4 572 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)[O-] P160358 [0,2,0,0,0,0|1,0,1]=4 573 B13R1.3088 CC1=C(C=CC(=C1)C(=O)OC)C=O M588352 [0,2,0,0,0,0|1,0,1]=4 574 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)Br M590655 [0,2,0,0,0,0|1,0,1]=4 575 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)F M186393 [0,2,0,0,0,0|1,0,1]=4 576 B13R1.3088 COC(=O)C1=CC(=C(C=C1)C=O)O M588382 [0,2,0,0,0,0|1,0,1]=4 577 B13R1.38 C1=CC(=C(C=C1C(F)(F)F)Cl)C=O C195179 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.38 C1=CC(=C(C=C1C(F)(F)F)F)C=O F122620 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)C=O)O T334277 [0,2,0,0,0,0|0,0,0]=2 580 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)N I169850 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.96 C1=CC(=C(C=C1C=O)Br)C(F)(F)F B184088 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.96 C1=CC(=C(C=C1C=O)F)C(F)(F)F F588016 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CC#N T189110 [0,2,0,0,0,0|1,0,1]=4 584 B13R1.140 CC(C)(C)C1=CC=C(C=C1)N=C=S I140564 [0,2,0,0,0,0|0,1,1]=4 585 B13R1.338 B(C1=CC=C(C=C1)C(C)(C)C)(O)O B103182 [0,2,0,0,0,0|1,0,1]=4 586 B13R1.338 C1=CC(=CC=C1C(=O)Cl)C(F)(F)F T109779 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.338 C1=CC(=CC=C1C(=O)N)C(F)(F)F T132305 [0,2,0,0,0,0|2,0,0]=4 588 B13R1.338 C1=CC(=CC=C1C(=O)O)C(F)(F)F T109781 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.338 C1=CC(=CC=C1C(=O)[O-])C(F)(F)F S192358 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C B123017 [0,2,0,0,0,0|0,0,0]=2 591 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F T124296 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)C M158448 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)Cl T132173 [0,2,0,0,0,0|0,0,0]=2 594 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N T344455 [0,2,0,0,0,0|0,0,0]=2 595 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O B104400 [0,2,0,0,0,0|0,0,0]=2 596 B13R1.338 CC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-] T162698 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.338 CC(C)(C)C1=NC=C(C=C1)C(=O)O T177549 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)Cl I170940 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)O I303031 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.338 CC(C1=CC=C(C=C1)S(=O)(=O)C)N A483553 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O M158289 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.120 CC1=C(C=CC(=C1)C(=O)C)C(=O)O A589478 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.74 CN(C)C1=CC=C(C=C1)C=CC#N T162454 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.74 CN(C)C1=CC=C(C=C1)C=CC=O D106343 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.159 CC(C)C1=C(C(=CC=C1)O)O I192040 [0,0,1,1,0,0|1,0,1]=4 606 B11R2.190 C=CC1=CC2=C(CC2)C=C1 V196176 [1,0,0,1,0,0|1,0,0]=3 607 B11R2.34 C1C(O1)C2=CC=C(C=C2)F I131966 [1,0,0,1,0,0|2,0,0]=4 608 B11R2.34 C1CC1C2=CC=C(C=C2)Br B189729 [1,0,0,1,0,0|1,0,0]=3 609 B11R2.34 C1CC1C2=CN=C(C=C2)Br B189780 [1,0,0,1,0,0|2,0,0]=4 610 B11R2.34 C1CC1C2=CN=C(C=C2)Cl C586231 [1,0,0,1,0,0|2,0,0]=4 611 B9R1.21 C1=C(OC(=C1)C=O)CCl C339618 [1,0,0,0,1,0|2,0,0]=4 612 B9R1.21 C1=C(OC(=C1)C=O)CO H106322 [1,0,0,0,1,0|2,0,0]=4 613 B9R1.21 C1=C(OC(=C1)C=O)CO H106323 [1,0,0,0,1,0|2,0,0]=4 614 B9R1.21 C1=C(OC(=C1)C=O)CO H106324 [1,0,0,0,1,0|2,0,0]=4 615 B9R1.21 C1=C(OC(=C1)C=O)CO H301743 [1,0,0,0,1,0|2,0,0]=4 616 B9R1.21 C1=C(OC(=C1)C=O)CO H344404 [1,0,0,0,1,0|2,0,0]=4 617 B9R1.21 C1=C(OC(=C1)C=O)CO H425395 [1,0,0,0,1,0|2,0,0]=4 618 B9R1.21 CCN1C=C(C=N1)C=O H303385 [1,0,0,0,1,0|2,0,0]=4 619 B9R1.21 COC1=CC=C(S1)C=O M588828 [1,0,0,0,1,0|2,0,0]=4 620 B9R1.21 CSC1=CC=C(S1)C=O M135389 [1,0,0,0,1,0|2,0,0]=4 621 B11R1.20 CC(C)CC1=CC=C(C=C1)Br B163036 [1,0,0,0,0,1|1,0,0]=3 622 B11R1.20 CC(C)OC1=CC=C(C=C1)N I157723 [1,0,0,0,0,1|1,0,0]=3 623 B11R1.20 CC(C)OC1=NC=C(C=C1)Br B187286 [1,0,0,0,0,1|2,0,0]=4 624 B11R1.20 CN(C)CC1=CC=C(C=C1)N A185751 [1,0,0,0,0,1|2,0,0]=4 625 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O A467286 [0,0,0,0,1,1|1,0,1]=4 626 B11R1.266 CC(C)C1=CC=CC(=C1)C=O I354280 [0,0,0,0,1,1|0,0,0]=2