0 B11R1.17 C1=CC=C(C(=C1)C=CC=O)Br E302788 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.17 C1=CC=C(C(=C1)CCC#N)Cl C194792 [0,0,0,0,0,0|2,1,0]=3 2 B11R1.17 C1=CC=C(C(=C1)CCCO)Br B193732 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.17 C1=CC=C(C(=C1)CN=C=O)F F166980 [0,0,0,0,0,0|3,1,0]=4 4 B11R1.17 C1=CC=C(C(=C1)CSC#N)Cl C153807 [0,0,0,0,0,0|3,1,0]=4 5 B11R1.17 C1=CC=C(C(=C1)O)OCCO H473338 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.17 CC1=CC=CC=C1OCC#N O170648 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.17 CC1=CC=CC=C1OCC=C A354200 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.17 CC1=CC=CC=C1OCCN M169151 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.17 CCCCC1=CC=CC=C1N B151822 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.4 C1=CC=C(C(=C1)C=NO)Br B405163 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.4 C1=CC=C(C(=C1)CC#N)Br B468900 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.4 C1=CC=C(C(=C1)CC#N)Cl C140252 [1,0,0,0,0,0|0,1,2]=4 13 B10R1.4 C1=CC=C(C(=C1)CC#N)F F133645 [1,0,0,0,0,0|0,1,2]=4 14 B10R1.4 C1=CC=C(C(=C1)CC#N)I I170176 [1,0,0,0,0,0|0,1,2]=4 15 B10R1.4 C1=CC=C(C(=C1)CC#N)N A133628 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.4 C1=CC=C(C(=C1)CCBr)Cl C167804 [1,0,0,0,0,0|1,1,0]=3 17 B10R1.4 C1=CC=C(C(=C1)CCBr)F F469846 [1,0,0,0,0,0|1,1,0]=3 18 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [1,0,0,0,0,0|0,1,0]=2 20 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [1,0,0,0,0,0|0,1,0]=2 21 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [1,0,0,0,0,0|0,1,0]=2 22 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 C1=CC=C(C(=C1)CCO)Br B102011 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.4 C1=CC=C(C(=C1)CCO)Cl C135333 [1,0,0,0,0,0|1,1,0]=3 26 B10R1.4 C1=CC=C(C(=C1)CCO)F F134481 [1,0,0,0,0,0|1,1,0]=3 27 B10R1.4 C1=CC=C(C(=C1)CCO)N A151124 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.4 C1=CC=C(C(=C1)CCO)O H139263 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.4 C1=CC=C(C(=C1)CON)F O192052 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br B153169 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.4 C1=CC=C(C(=C1)N=C=S)Br B140603 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.4 C=CCC1=CC=CC=C1Br A467291 [1,0,0,0,0,0|0,0,2]=3 33 B10R1.4 C=CCC1=CC=CC=C1N A151777 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.4 C=CCC1=CC=CC=C1O A151090 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.4 CC1=CC=CC=C1CC#N O160033 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.4 CC1=CC=CC=C1CC=C A167621 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.4 CC1=CC=CC=C1CCBr B587606 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.4 CC1=CC=CC=C1CCO O159910 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.4 CC1=CC=CC=C1CNC B301431 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.4 CCCC1=CC=CC=C1C P160377 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.4 CCCC1=CC=CC=C1N P160189 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.4 CCCC1=CC=CC=C1O P160564 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.4 CCNC1=CC=CC=C1C N158979 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.4 CCOC1=C(C=CC=N1)Br B139026 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.4 CCOC1=C(C=CC=N1)Cl C154075 [1,0,0,0,0,0|2,1,0]=4 46 B10R1.4 CCOC1=C(C=CC=N1)I E134848 [1,0,0,0,0,0|2,1,0]=4 47 B10R1.4 CCOC1=CC=CC=C1Cl C405475 [1,0,0,0,0,0|1,1,0]=3 48 B10R1.4 CCOC1=CC=CC=C1N E100407 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.4 CCOC1=CC=CC=C1O E156224 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.4 CNCC1=CC=CC=C1Br B194652 [1,0,0,0,0,0|0,0,0]=1 51 B10R1.4 CNCC1=CC=CC=C1Cl C469889 [1,0,0,0,0,0|0,1,0]=2 52 B10R1.4 CNCC1=CC=CC=C1O H156922 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.17 C#CCOC1=CC=CC=C1 P113824 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.17 C#CCSC1=CC=CC=C1 P101830 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.17 C1=CC=C(C=C1)CN=C=O B133636 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 C1=CC=C(C=C1)CN=C=S B140288 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 C1=CC=C(C=C1)CN=C=S B425154 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 C1=CC=C(C=C1)CN=[N+]=[N-] B189174 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 C1=CC=C(C=C1)CNC=O N159287 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.17 C1=CC=C(C=C1)COC=O B152855 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 C1=CC=C(C=C1)CSC#N B152183 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 C1=CC=C(C=C1)NCC#N P192616 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.17 C1=CC=C(C=C1)OCC#N P160111 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [1,0,0,0,0,0|3,0,0]=4 85 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.17 C1=CC=C(C=C1)SCC#N P160109 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 C1=CN=CC=C1CCCN P192638 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.17 C1=CN=CC=C1CCCO P160633 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [1,0,0,0,0,0|1,0,1]=3 94 B10R1.17 C=CCNC1=CC=CC=C1 N159240 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.17 C=CCOC1=CC=CC=C1 A101096 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.17 C=CCSC1=CC=CC=C1 A140290 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.17 C=COCC1=CC=CC=C1 B178307 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.17 CCC#CC1=CC=CC=C1 P107031 [1,0,0,0,0,0|1,0,2]=4 99 B10R1.17 CCCCC1=CC=CC=C1 B100020 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.17 CCCCC1=CC=CC=C1 B100021 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.17 CCCCC1=CC=CC=C1 B128171 [1,0,0,0,0,0|1,0,0]=2 102 B10R1.17 CCCCC1=CN=CC=C1 B115782 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.17 CCCC[N+]1=CC=CC=C1 B101511 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.17 CCCC[N+]1=CC=CC=C1 B102654 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.17 CCCC[N+]1=CC=CC=C1 B102663 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.17 CCCC[N+]1=CC=CC=C1 B120504 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.17 CCCOC1=CC=CC=C1 P405762 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.17 CCNCC1=CC=CC=C1 E113368 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.17 CCNCC1=CC=CC=N1 N170728 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.17 CCNCC1=CC=CC=N1 N598953 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.17 CCNCC1=CC=NC=C1 E124679 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.17 CCOCC1=CC=CC=C1 E193820 [1,0,0,0,0,0|2,0,0]=3 113 B10R1.17 CNCCC1=CC=CC=C1 N159074 [1,0,0,0,0,0|0,0,0]=1 114 B10R1.17 CNCCC1=CC=CC=N1 B102783 [1,0,0,0,0,0|1,0,0]=2 115 B10R1.17 CNCCC1=CC=CC=N1 B152161 [1,0,0,0,0,0|1,0,0]=2 116 B10R1.17 CNCCC1=CC=CC=N1 B301305 [1,0,0,0,0,0|1,0,0]=2 117 B10R1.17 CNCCC1=CC=CC=N1 B424673 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.17 CNCCC1=CC=CC=N1 M424771 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.17 COCCC1=CC=CC=C1 P160567 [1,0,0,0,0,0|1,0,0]=2 120 B10R1.17 COCCC1=CC=CC=N1 M157981 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.17 COCSC1=CC=CC=C1 M158419 [1,0,0,0,0,0|2,0,0]=3 122 B12R1.69 CCCCC1=C(C=C(C=C1)O)O B152158 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Br B123075 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl C138339 [0,1,0,0,0,0|2,1,0]=4 125 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F W133245 [0,1,0,0,0,0|2,1,0]=4 126 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)I I469914 [0,1,0,0,0,0|2,1,0]=4 127 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O H121639 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.125 CC(CCC1=CC=CC=C1Cl)N S286923 [0,1,0,0,0,0|1,1,0]=3 129 B12R1.125 CC1=CC=CC=C1CCC(=O)O M168695 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.125 CC1=CC=CC=C1OCC(C)O M158676 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.267 C1=CC=C(C(=C1)CCN=C=O)F F300288 [0,1,0,0,0,0|0,1,2]=4 132 B12R1.308 CCCC(=O)C1=CC=CC=C1O H192549 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.308 CCOC(=O)C1=CC=CC=C1Br E156198 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.371 CC1=CC=CC=C1CC(=O)OC M338418 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.371 COC(=O)CC1=CC=CC=C1Br M185316 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.371 COC(=O)CC1=CC=CC=C1Cl M158137 [0,1,0,0,0,0|1,1,1]=4 137 B12R1.371 COC(=O)CC1=CC=CC=C1O H182957 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.71 CCCCCC=CC=CC=O D107642 [0,0,1,0,0,0|2,0,1]=4 139 B10R0.71 CCCCCC=CC=CC=O D303153 [0,0,1,0,0,0|2,0,1]=4 140 B12R2.24 C1CC(=O)NC2=CC=CC=C21 D336131 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D107582 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.24 C1CC(=O)OC2=CC=CC=C21 D420880 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 C1CC2=CC=CC=C2CC1=O T107488 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 CC1CCC2=CC=CC=C2N1 T162315 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.32 C1C(NC2=CC=CC=C21)CO I169211 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.32 CNC1=NC2=CC=CC=C2N1 N191513 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.196 C1C2=C(C=CC=C2Br)C(=O)N1 B183819 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Br B119745 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F F119743 [0,0,0,1,0,0|2,1,0]=4 150 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O H123323 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.196 C1CC2=C(C1O)C=CC=C2Br B167779 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 M123328 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.196 CN1C2=C(C=N1)C(=CC=C2)Br B176273 [0,0,0,1,0,0|1,0,1]=3 154 B12R2.196 CN1C=CC2=C1C=CC=C2Br B176877 [0,0,0,1,0,0|0,0,2]=3 155 B12R2.196 CN1C=NC2=C1C=CC=C2Br B587052 [0,0,0,1,0,0|1,0,1]=3 156 B12R2.1081 C1CC2=C(C(=CC=C2)O)NC1 T194472 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 B172149 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.1081 C1CCC2=C(C1)C=CC=C2N T103086 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.1081 C1CCC2=C(C1)C=CC=C2O T162494 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.1081 C1CNCC2=C1C(=CC=C2)Br B178246 [0,0,0,1,0,0|0,0,0]=1 161 B12R2.1081 C1CNCC2=C1C(=CC=C2)Br B195156 [0,0,0,1,0,0|0,0,0]=1 162 B12R2.1081 C1CNCC2=C1C=CC=C2Br B179747 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.1081 C1CNCC2=C1C=CC=C2Br B194913 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.1081 C1COC2=C(O1)C=CC=C2Br B185367 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.29 CCCCC1=C(SC=C1)Br B152941 [0,0,0,0,1,0|2,0,0]=3 166 B9R0.45 CCCCC=CC=CC=O N102611 [1,0,1,0,0,0|1,0,1]=4 167 B9R1.8 C1=CC(=CN=C1)CCN A151786 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.8 C1=CC(=CN=C1)CCN A169450 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [2,0,0,0,0,0|1,0,1]=4 170 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [2,0,0,0,0,0|1,0,1]=4 172 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 C1=CC=C(C=C1)CCI I138375 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 C1=CC=C(C=C1)CCN P105641 [2,0,0,0,0,0|0,0,0]=2 177 B9R1.8 C1=CC=C(C=C1)CCN P160641 [2,0,0,0,0,0|0,0,0]=2 178 B9R1.8 C1=CC=C(C=C1)CCN P290339 [2,0,0,0,0,0|0,0,0]=2 179 B9R1.8 C1=CC=C(C=C1)CCN P408003 [2,0,0,0,0,0|0,0,0]=2 180 B9R1.8 C1=CC=C(C=C1)CCN P421867 [2,0,0,0,0,0|0,0,0]=2 181 B9R1.8 C1=CC=C(C=C1)CCN P425250 [2,0,0,0,0,0|0,0,0]=2 182 B9R1.8 C1=CC=C(C=C1)CCN P491880 [2,0,0,0,0,0|0,0,0]=2 183 B9R1.8 C1=CC=C(C=C1)CCN P493037 [2,0,0,0,0,0|0,0,0]=2 184 B9R1.8 C1=CC=C(C=C1)CCN P493125 [2,0,0,0,0,0|0,0,0]=2 185 B9R1.8 C1=CC=C(C=C1)CCO P108195 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.8 C1=CC=C(C=C1)CCO P108197 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.8 C1=CC=C(C=C1)CCO P424995 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.8 C1=CC=C(C=C1)CCS P160530 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 C1=CC=C(C=C1)CNN B122576 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.8 C1=CC=C(C=C1)CNN B137990 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.8 C1=CC=C(C=C1)CNN B464175 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.8 C1=CC=C(C=C1)CNO I137166 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.8 C1=CC=C(C=C1)CON O159948 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.8 C1=CC=C(C=C1)CON O189173 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.8 C1=CC=NC(=C1)CCN A151790 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.8 C1=CC=NC(=C1)CCO P160791 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.8 C1=CN=CC=C1CCN A109738 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.8 C1=CN=CC=C1CCS P134707 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.8 C1=CN=CC=C1CCS P478833 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.8 C=CCC1=CC=CC=C1 A101037 [2,0,0,0,0,0|0,0,2]=4 203 B9R1.8 CC#CC1=CC=CC=C1 P141240 [2,0,0,0,0,0|0,0,2]=4 204 B9R1.8 CC=CC1=CC=CC=C1 C153576 [2,0,0,0,0,0|0,0,2]=4 205 B9R1.8 CC=CC1=CC=CC=C1 M136687 [2,0,0,0,0,0|0,0,2]=4 206 B9R1.8 CC=CC1=CC=CC=C1 T134052 [2,0,0,0,0,0|0,0,2]=4 207 B9R1.8 CC=CC1=CC=CC=C1 T301941 [2,0,0,0,0,0|0,0,2]=4 208 B9R1.8 CCCC1=CC=CC=C1 P104621 [2,0,0,0,0,0|0,0,0]=2 209 B9R1.8 CCCC1=CC=CC=C1 P104624 [2,0,0,0,0,0|0,0,0]=2 210 B9R1.8 CCCC1=CC=CC=C1 P104625 [2,0,0,0,0,0|0,0,0]=2 211 B9R1.8 CCCC1=CC=CC=C1 P104626 [2,0,0,0,0,0|0,0,0]=2 212 B9R1.8 CCCC1=CC=CC=C1 P128158 [2,0,0,0,0,0|0,0,0]=2 213 B9R1.8 CCCC1=CC=CC=N1 P160637 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.8 CCCC1=CC=NC=C1 P160632 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.8 CCCC1=NC=CN=C1 P132679 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.8 CCNC1=CC=CC=C1 E103974 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.8 CCOC1=CC=CC=C1 E108654 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 CCOC1=CC=CC=C1 E108655 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.8 CCOC1=CC=CC=N1 E137467 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.8 CCSC1=CC=CC=C1 E101809 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.8 CNCC1=CC=CC=C1 B106919 [2,0,0,0,0,0|0,0,0]=2 223 B9R1.8 CNCC1=CC=CC=N1 M168526 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.8 CNCC1=CN=CC=C1 M138441 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.8 COCC1=CC=CC=C1 B103161 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.8 COCC1=CC=CC=C1 B591251 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 CSCC1=CC=CC=C1 B152510 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [2,0,0,0,0,0|0,0,2]=4 229 B9R1.15 C#CC1=CC=CC=C1Br B405186 [2,0,0,0,0,0|0,0,2]=4 230 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.15 C1=CC=C(C(=C1)C#N)Br B113773 [2,0,0,0,0,0|0,0,2]=4 235 B9R1.15 C1=CC=C(C(=C1)C=O)Br B109684 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.15 C1=CC=C(C(=C1)CBr)Br B124758 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.15 C1=CC=C(C(=C1)CBr)Cl C135217 [2,0,0,0,0,0|1,1,0]=4 238 B9R1.15 C1=CC=C(C(=C1)CBr)F F107111 [2,0,0,0,0,0|1,1,0]=4 239 B9R1.15 C1=CC=C(C(=C1)CBr)I I101707 [2,0,0,0,0,0|1,1,0]=4 240 B9R1.15 C1=CC=C(C(=C1)CBr)I I131028 [2,0,0,0,0,0|1,1,0]=4 241 B9R1.15 C1=CC=C(C(=C1)CCl)Cl C136424 [2,0,0,0,0,0|1,1,0]=4 242 B9R1.15 C1=CC=C(C(=C1)CCl)F F104448 [2,0,0,0,0,0|1,1,0]=4 243 B9R1.15 C1=CC=C(C(=C1)CCl)I I472524 [2,0,0,0,0,0|1,1,0]=4 244 B9R1.15 C1=CC=C(C(=C1)CN)Br B136382 [2,0,0,0,0,0|0,0,0]=2 245 B9R1.15 C1=CC=C(C(=C1)CN)Br B184269 [2,0,0,0,0,0|0,0,0]=2 246 B9R1.15 C1=CC=C(C(=C1)CN)Cl C100661 [2,0,0,0,0,0|0,1,0]=3 247 B9R1.15 C1=CC=C(C(=C1)CN)Cl C298505 [2,0,0,0,0,0|0,1,0]=3 248 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [2,0,0,0,0,0|0,1,0]=3 249 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [2,0,0,0,0,0|1,0,0]=3 250 B9R1.15 C1=CC=C(C(=C1)CO)Br B135325 [2,0,0,0,0,0|1,0,0]=3 251 B9R1.15 C1=CC=C(C(=C1)CO)Cl C101747 [2,0,0,0,0,0|1,1,0]=4 252 B9R1.15 C1=CC=C(C(=C1)CO)F F156600 [2,0,0,0,0,0|1,1,0]=4 253 B9R1.15 C1=CC=C(C(=C1)CO)I I157441 [2,0,0,0,0,0|1,1,0]=4 254 B9R1.15 C1=CC=C(C(=C1)CO)N A151122 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.15 C1=CC=C(C(=C1)CS)Br B101794 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.15 C1=CC=C(C(=C1)CS)Cl C101788 [2,0,0,0,0,0|1,1,0]=4 259 B9R1.15 C1=CC=C(C(=C1)NN)Br B101712 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.15 C1=CC=C(C(=C1)NN)Cl C106485 [2,0,0,0,0,0|1,1,0]=4 261 B9R1.15 C1=CC=C(C(=C1)NN)F F101710 [2,0,0,0,0,0|1,1,0]=4 262 B9R1.15 C1=CN=CC(=C1CO)Br B132477 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.15 C=CC1=CC=CC=C1Br B102182 [2,0,0,0,0,0|0,0,2]=4 264 B9R1.15 C=CC1=CC=CC=C1Br B140775 [2,0,0,0,0,0|0,0,2]=4 265 B9R1.15 CC1=C(N=CC=C1)CN A482619 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.15 CC1=CC=CC=C1CBr M139409 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.15 CC1=CC=CC=C1CCl M101671 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.15 CC1=CC=CC=C1CN M158667 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.15 CC1=CC=CC=C1CO M157901 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.15 CC1=CC=CC=C1CS M300495 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.15 CC1=CC=CC=C1NC N159021 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.15 CC1=CC=CC=C1NN T101278 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.15 CC1=CC=CC=C1OC M158113 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.15 CCC1=CC=CC=C1Br B138432 [2,0,0,0,0,0|0,0,0]=2 275 B9R1.15 CCC1=CC=CC=C1C E140581 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.15 CCC1=CC=CC=C1I E189052 [2,0,0,0,0,0|0,1,0]=3 277 B9R1.15 CCC1=CC=CC=C1N E106226 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.15 CCC1=CC=CC=C1O E156225 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.15 CCC1=CC=CC=C1S E101792 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.15 CC[N+]1=CC=CC=C1C E303437 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.15 CNC1=C(C=CC=N1)N N589280 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.15 CNC1=CC=CC=C1Br B186004 [2,0,0,0,0,0|0,0,0]=2 283 B9R1.15 CNC1=CC=CC=C1Cl C153908 [2,0,0,0,0,0|0,1,0]=3 284 B9R1.15 CNC1=CC=CC=C1F F132815 [2,0,0,0,0,0|0,1,0]=3 285 B9R1.15 CNC1=CC=CC=C1N I134172 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.15 CNC1=CC=CC=C1N M106013 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.15 CNC1=CC=CC=C1O M194184 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.15 COC1=C(C=CC=N1)Br B120788 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.15 COC1=C(N=CC=C1)Br B120786 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.15 COC1=CC=CC=C1Br B109257 [2,0,0,0,0,0|1,0,0]=3 291 B9R1.15 COC1=CC=CC=C1Cl C110652 [2,0,0,0,0,0|1,1,0]=4 292 B9R1.15 COC1=CC=CC=C1F F120586 [2,0,0,0,0,0|1,1,0]=4 293 B9R1.15 COC1=CC=CC=C1I I101929 [2,0,0,0,0,0|1,1,0]=4 294 B9R1.15 COC1=CC=CC=C1N A103995 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.15 COC1=CC=CC=C1N A103997 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.15 COC1=CC=CC=C1N A141230 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.15 COC1=CC=CC=C1N O160024 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.15 COC1=CC=CC=C1O G112735 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.15 COC1=CC=CC=C1O G426764 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.15 COC1=CC=CC=C1S M101778 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.15 CSC1=CC=CC=C1Br B101843 [2,0,0,0,0,0|1,0,0]=3 302 B9R1.15 CSC1=CC=CC=C1Cl C101838 [2,0,0,0,0,0|1,1,0]=4 303 B9R1.15 CSC1=CC=CC=C1F F101836 [2,0,0,0,0,0|1,1,0]=4 304 B9R1.15 CSC1=CC=CC=C1N M158418 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.15 CSC1=CC=CC=C1O M101847 [2,0,0,0,0,0|2,0,0]=4 306 B11R1.13 CCOC1=C(C(=CC=C1)F)F D124108 [1,1,0,0,0,0|1,1,0]=4 307 B11R1.41 CCOC1=CC=CC=C1C#N E101409 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.41 CCOC1=CC=CC=C1C=O E123026 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.41 CCOC1=CC=CC=C1CN E134140 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.41 CCOC1=CC=CC=C1OC E354173 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.41 CNCC1=CC=CC=C1OC M469543 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.41 COC1=CC=CC=C1CCN M132548 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.41 COC1=CC=CC=C1CCO M157916 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCBr D165846 [1,1,0,0,0,0|1,1,0]=4 315 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCN D154340 [1,1,0,0,0,0|0,1,0]=3 316 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CCO D134031 [1,1,0,0,0,0|1,1,0]=4 317 B11R1.81 C1=CC(=C(C=C1Cl)Cl)CON O193693 [1,1,0,0,0,0|1,1,0]=4 318 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl C170766 [1,1,0,0,0,0|1,1,0]=4 319 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl D178117 [1,1,0,0,0,0|0,1,0]=3 320 B11R1.81 CNCC1=C(C=C(C=C1)Cl)Cl D404190 [1,1,0,0,0,0|0,1,0]=3 321 B11R1.86 C1=CC=C(C(=C1)CC(=O)N)Cl C483633 [1,1,0,0,0,0|0,1,1]=4 322 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br B113791 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.86 C1=CC=C(C(=C1)NC(=O)N)Br B152705 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.86 C1=CC=C(C(=C1)NC(=S)N)Br B185081 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.86 C1=CC=C(C(=C1)OC(F)F)Br B123684 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.86 CC(=O)CC1=CC=CC=C1Br B132331 [1,1,0,0,0,0|0,0,1]=3 327 B11R1.86 CC(=O)CC1=CC=CC=C1F W135424 [1,1,0,0,0,0|0,1,1]=4 328 B11R1.86 CC(=O)NC1=CC=CC=C1Br B152714 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.86 CC(C)OC1=CC=CC=C1Br B135885 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.86 CC(C)OC1=CC=CC=C1O I119954 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.86 CN(C)CC1=C(C=CC=N1)O D168639 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.86 CN(C)CC1=CC=CC=C1O D155339 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.182 C1=CC(=C(C=C1F)CC#N)Br B590558 [1,1,0,0,0,0|0,0,2]=4 334 B11R1.182 C1=CC(=C(C=C1N)CCO)N H305004 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.182 CCNC1=C(C=CC(=C1)O)C E156228 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.182 CCOC1=C(C=CC(=C1)C)O B301186 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)Br B151941 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br B303346 [1,1,0,0,0,0|1,0,1]=4 339 B11R1.222 C1=CC=C(C(=C1)C(CO)O)Cl S138159 [1,1,0,0,0,0|1,1,0]=4 340 B11R1.222 CCC(=O)C1=CC=CC=C1C M182612 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.222 CCC(=O)C1=CC=CC=C1Cl C194312 [1,1,0,0,0,0|0,1,1]=4 342 B11R1.222 CCC(=O)C1=CC=CC=C1F F108013 [1,1,0,0,0,0|0,1,1]=4 343 B11R1.222 CCC(=O)C1=CC=CC=C1O H156886 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.222 CCC(C)C1=CC=CC=C1O S161080 [1,1,0,0,0,0|1,0,0]=3 345 B11R1.222 CNC(=O)C1=CC=CC=C1F F573628 [1,1,0,0,0,0|0,1,1]=4 346 B11R1.222 CNC(=O)C1=CC=CC=C1N A151423 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.222 CNC(=O)C1=CC=CC=C1O H343180 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.222 CNC(=O)C1=CC=CC=C1S M121843 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.222 COC(=O)C1=CC=CC=C1Br M113789 [1,1,0,0,0,0|1,0,1]=4 350 B11R1.605 C1=CC(=C(C(=C1)Cl)CCN)Cl D154341 [1,1,0,0,0,0|0,1,0]=3 351 B11R1.605 C1=CC(=C(C(=C1)Cl)CCO)Cl D155746 [1,1,0,0,0,0|1,1,0]=4 352 B11R1.605 COCC1=C(C=CC=C1Cl)Cl D405576 [1,1,0,0,0,0|1,1,0]=4 353 B11R1.1 C1=CC(=CC=C1CCCN)Cl C191754 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120508 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120511 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B120512 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.1 CCCC[N+]1=CC=C(C=C1)C B343853 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.1 CCCC[N+]1=CC=C(C=C1)C W196192 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.1 CCOCC1=CC=C(C=C1)O E194029 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123100 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C123101 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.16 C1=CC=C(C=C1)C(CCCl)O C153387 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101338 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101343 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.16 C1=CC=C(C=C1)C(CCO)N A101349 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.16 C=CCC(C1=CC=CC=C1)O P160315 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.16 CC(CC=O)C1=CC=CC=C1 P468811 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.16 CC(CCO)C1=CC=CC=C1 P169190 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.16 CC(CCO)C1=CC=CC=C1 P638679 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.16 CC(CNC)C1=CC=CC=C1 P342591 [1,1,0,0,0,0|0,0,0]=2 383 B11R1.16 CCCC(=O)C1=CC=CC=C1 B100860 [1,1,0,0,0,0|1,0,1]=4 384 B11R1.16 CCCC(C1=CC=CC=C1)O P160157 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.16 CCCC(C1=CC=CC=C1)O R468963 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.16 CCCC(C1=CC=CC=C1)O S468962 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.16 CNCC(C1=CC=CC=C1)O M351446 [1,1,0,0,0,0|0,0,0]=2 388 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [1,1,0,0,0,0|1,0,1]=4 389 B11R1.16 COCC(C1=CC=CC=C1)N R185788 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.24 C1=CC(=CC(=C1)Cl)CCC=O C167090 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.24 C1=CC(=CC(=C1)F)CCCBr B587429 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.24 CCCC[N+]1=CC=CC(=C1)C B120506 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.24 CCCC[N+]1=CC=CC(=C1)C B120507 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.24 CCNCC1=CC(=CC=C1)F N187982 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.28 C#CCOCC1=CC=CC=C1 P589024 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.28 C1=CC=C(C=C1)CCCCBr B140194 [1,1,0,0,0,0|1,0,0]=3 397 B11R1.28 C1=CC=C(C=C1)CCCCCl P404858 [1,1,0,0,0,0|1,0,0]=3 398 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [1,1,0,0,0,0|1,0,0]=3 399 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [1,1,0,0,0,0|1,0,0]=3 400 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.28 C1=CC=C(C=C1)CCCCO P138687 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.28 C1=CC=C(C=C1)CCN=C=O P160767 [1,1,0,0,0,0|0,0,2]=4 404 B11R1.28 C1=CC=C(C=C1)CCN=C=S P102544 [1,1,0,0,0,0|0,0,2]=4 405 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [1,1,0,0,0,0|0,0,1]=3 406 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [1,1,0,0,0,0|1,0,1]=4 407 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.28 C1=CC=C(C=C1)CNCCO B111181 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.28 C1=CC=C(C=C1)COCC=O B136421 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.28 C1=CC=C(C=C1)COCCBr B107737 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.28 C1=CC=C(C=C1)COCCCl B132425 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.28 C1=CC=C(C=C1)COCCN B193115 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.28 C1=CC=C(C=C1)COCCO B111396 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.28 C1=CC=C(C=C1)CSCCO B140387 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.28 C1=CC=C(C=C1)NCCC#N A151772 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.28 C1=CC=C(C=C1)NCCCO A151778 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.28 C1=CN=CC=C1CCCCO P193755 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.28 C=CCNCC1=CC=CC=C1 N158987 [1,1,0,0,0,0|1,0,1]=4 422 B11R1.28 C=CCOCC1=CC=CC=C1 A151095 [1,1,0,0,0,0|1,0,1]=4 423 B11R1.28 CCCC#CC1=CC=CC=C1 P404844 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.28 CCCCCC1=CC=CC=N1 A132572 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.28 CCCCCC1=CC=NC=C1 A151146 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.28 CCCNCC1=CC=CC=C1 N191934 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [1,1,0,0,0,0|0,0,0]=2 432 B11R1.28 OCCSCc1ccccc1 H109405 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.40 C1=CC=C(C=C1)CC(CO)N P100530 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.40 C1=CC=C(C=C1)CC(CO)N P109244 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.40 C1=CC=C(C=C1)CC(CO)N S160981 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.40 CCC(CC1=CC=CC=C1)N P344719 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.40 CCC(CC1=CC=CC=C1)O E352402 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.40 CNC(=S)NC1=CC=CC=C1 M158401 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.91 B(CCC1=CC=CC=C1)(O)O P119631 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.91 CC(=C)COC1=CC=CC=C1 M420042 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,1,0,0,0,0|1,0,0]=3 451 B11R1.91 CC(=O)COC1=CC=CC=C1 P160134 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109251 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.91 CC(=O)OCC1=CC=CC=C1 B109253 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.91 CC(C)NCC1=CC=CC=C1 B100437 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.91 CC(CCC1=CC=CC=C1)O I168710 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.91 CC(CCC1=CC=CC=C1)O I170111 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.91 CC(CCC1=CC=CC=C1)O P160159 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.91 CC(COC1=CC=CC=C1)O B299831 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.91 CC(COC1=CC=CC=C1)O P135297 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.91 CN(C)CCC1=CC=CC=C1 N302096 [1,1,0,0,0,0|0,0,0]=2 463 B11R1.230 CCCCC1=C(SC(=C1)Br)Br D101027 [0,1,0,0,1,0|2,0,0]=4 464 B13R1.16 CCCCOC1=C(C(=CC=C1)F)F N131967 [0,2,0,0,0,0|1,1,0]=4 465 B13R1.369 CCCCCC1=C(C=C(C=C1)C)O A151165 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.369 CCCCCC1=C(C=C(C=C1)C)O A421174 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)Cl)Br M586453 [0,2,0,0,0,0|1,0,1]=4 468 B13R1.91 CC(CC1=CC=CC=C1OC)NC B301299 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.91 CC(CC1=CC=CC=C1OC)NC M424748 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.202 C1=CC=C(C(=C1)CC(C(=O)O)N)Br L184482 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.528 COC(=O)CCC1=CC=CC=C1Br M139153 [0,2,0,0,0,0|1,0,0]=3 472 B13R1.528 COC(=O)CCC1=CC=CC=C1F M587241 [0,2,0,0,0,0|1,1,0]=4 473 B13R1.470 CCOC(=O)CC1=CC=CC=C1Br E588165 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.29 CNCCC(=O)C1=CC=CS1 M589779 [0,0,1,1,0,0|2,0,0]=4 475 B11R2.10 C1C(CC2=CC=CC=C21)O H157338 [1,0,0,1,0,0|2,0,0]=4 476 B11R2.10 CC1CC2=CC=CC=C2N1 M103558 [1,0,0,1,0,0|1,0,0]=3 477 B11R2.10 CC1CC2=CC=CC=C2O1 D137493 [1,0,0,1,0,0|1,0,0]=3 478 B11R2.20 C1CC2=C(C=CC=N2)OC1 D186135 [1,0,0,1,0,0|2,0,0]=4 479 B11R2.20 C1CC2=CC=CC=C2C=C1 D155011 [1,0,0,1,0,0|1,0,1]=4 480 B11R2.20 C1CC2=CC=CC=C2NC1 T107484 [1,0,0,1,0,0|1,0,0]=3 481 B11R2.20 C1CCC2=C(C1)C=CC=N2 T108003 [1,0,0,1,0,0|2,0,0]=4 482 B11R2.20 C1CCC2=C(C1)C=CN=C2 T162590 [1,0,0,1,0,0|2,0,0]=4 483 B11R2.20 C1CCC2=CC=CC=C2C1 T100976 [1,0,0,1,0,0|1,0,0]=3 484 B11R2.20 C1CCC2=CC=CC=C2C1 T100978 [1,0,0,1,0,0|1,0,0]=3 485 B11R2.20 C1CCC2=CC=CC=C2C1 T100979 [1,0,0,1,0,0|1,0,0]=3 486 B11R2.20 C1CCC2=CC=CC=C2C1 T100981 [1,0,0,1,0,0|1,0,0]=3 487 B11R2.20 C1CCC2=CC=CC=C2C1 T119673 [1,0,0,1,0,0|1,0,0]=3 488 B11R2.20 C1CN=CC2=CC=CC=C21 D169557 [1,0,0,1,0,0|1,0,1]=4 489 B11R2.20 C1CNC2=CC=CC=C2N1 T138703 [1,0,0,1,0,0|2,0,0]=4 490 B11R2.20 C1CNCC2=C1C=CC=N2 T176221 [1,0,0,1,0,0|2,0,0]=4 491 B11R2.20 C1CNCC2=CC=CC=C21 T139420 [1,0,0,1,0,0|1,0,0]=3 492 B11R2.20 C1COC2=CC=CC=C2N1 H304033 [1,0,0,1,0,0|2,0,0]=4 493 B11R2.20 C1COC2=CC=CC=C2O1 B103171 [1,0,0,1,0,0|2,0,0]=4 494 B11R2.20 C1COCC2=CC=CC=C21 I122961 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.106 C1=CC2=C(C(=C1)Br)N=CN2 B186835 [1,0,0,1,0,0|1,0,1]=4 496 B11R2.106 C1=CC2=C(C=CN2)C(=C1)Br B111478 [1,0,0,1,0,0|0,0,2]=4 497 B11R2.106 C1=CC2=C(C=NN2)C(=C1)Br B132684 [1,0,0,1,0,0|1,0,1]=4 498 B11R2.106 C1C2=C(CN1)C(=CC=C2)F F188297 [1,0,0,1,0,0|0,1,0]=3 499 B11R2.106 C1C=CC2=C1C(=CC=C2)Br B138348 [1,0,0,1,0,0|0,0,2]=4 500 B11R2.106 C1CC2=C(C1)C(=CC=C2)N A169551 [1,0,0,1,0,0|1,0,0]=3 501 B11R2.106 C1CC2=C(C1)C(=CC=C2)O I191362 [1,0,0,1,0,0|1,0,0]=3 502 B11R2.106 C1CNC2=C1C(=CC=C2)Br B590407 [1,0,0,1,0,0|0,0,0]=2 503 B11R2.106 C1COC2=C1C=CC=C2Br B191973 [1,0,0,1,0,0|1,0,0]=3 504 B11R2.106 C1COC2=CC=CC(=C21)N D194182 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.106 C1OC2=C(O1)C(=CC=C2)Br B185927 [1,0,0,1,0,0|2,0,0]=4 506 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [1,0,0,1,0,0|2,0,0]=4 508 B11R2.1 C1CC2=CC=CC=C2C1N A114505 [1,0,0,1,0,0|2,0,0]=4 509 B11R2.1 C1CC2=CC=CC=C2C1N D186125 [1,0,0,1,0,0|2,0,0]=4 510 B11R2.1 C1CC2=CC=CC=C2C1N S192732 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.1 C1CC2=CC=CC=C2C1N S469445 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.1 C1CC2=CC=CC=C2C1O H157335 [1,0,0,1,0,0|2,0,0]=4 513 B11R2.1 C1CC2=CC=CC=C2C1O H419517 [1,0,0,1,0,0|2,0,0]=4 514 B11R2.1 C1CC2=CC=CC=C2C1O H592262 [1,0,0,1,0,0|2,0,0]=4 515 B11R2.1 CC1CCC2=CC=CC=C12 M304586 [1,0,0,1,0,0|1,0,0]=3 516 B11R2.1 CC1CNC2=CC=CC=C12 M589123 [1,0,0,1,0,0|2,0,0]=4 517 B11R2.1 CN1C2=CC=CC=C2N=N1 M158121 [1,0,0,1,0,0|2,0,0]=4 518 B11R2.1 CN1C=CC2=CC=CC=C21 M108007 [1,0,0,1,0,0|0,0,2]=4 519 B11R2.1 CN1C=NC2=CC=CC=C21 M110306 [1,0,0,1,0,0|1,0,1]=4 520 B11R2.1 CN1C=NC2=CC=CC=C21 M399272 [1,0,0,1,0,0|1,0,1]=4 521 B11R2.4 C1C(C1N)C2=CC=CC=C2 R132818 [1,0,0,1,0,0|2,0,0]=4 522 B11R2.4 C1C(C1N)C2=CC=CC=C2 T275460 [1,0,0,1,0,0|2,0,0]=4 523 B11R2.4 C1C(C1N)C2=CC=CC=C2 T422413 [1,0,0,1,0,0|2,0,0]=4 524 B11R2.238 C1C(N1)CC2=CC=CC=C2 S304496 [1,0,0,1,0,0|0,0,0]=2 525 B11R2.238 C1C(O1)CC2=CC=CC=C2 E472459 [1,0,0,1,0,0|1,0,0]=3 526 B11R2.238 C1CC1SC2=CC=CC=C2 C101828 [1,0,0,1,0,0|2,0,0]=4 527 B13R2.32 CC1CCC2=CC=CC=C2C1=O M167630 [0,1,0,1,0,0|2,0,0]=4 528 B13R2.5180 CC1=C(C2=C(C=C1)N(N=C2)C)Br B586455 [0,1,0,1,0,0|1,0,1]=4 529 B13R2.155 CN1CCC2=C(C1)C=C(C=C2)Br B588454 [0,1,0,1,0,0|1,0,0]=3 530 B13R2.328 C1CNCC2=C1C(=CC(=C2)Cl)Cl D590019 [0,1,0,1,0,0|0,1,0]=3 531 B13R2.435 CC(=O)C1CC2=CC=CC=C2C1 I588783 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.3587 CC1=CC=CC=C1OCC2CO2 G136128 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.18 C1CC(NC1)C2=CC=CC=C2Br B586924 [0,1,0,1,0,0|1,0,0]=3 534 B13R2.18 C1COC(O1)C2=CC=CC=C2Br B153150 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.342 C1CC2=C(C=CC=C2Br)C(=O)C1 B186009 [0,1,0,1,0,0|1,0,1]=4 536 B13R2.342 C1CNC(=O)C2=C1C(=CC=C2)Br B189686 [0,1,0,1,0,0|0,0,1]=3 537 B13R2.342 C1CNC2=C(C1=O)C=CC=C2Br B170062 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.342 C1COC2=C(C1=O)C=CC=C2Br B191951 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.342 C1COC2=C(C1N)C=CC=C2Br B616232 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.4818 C1CC2=C(C(=O)C1)C(=CC=C2)Br B344494 [0,1,0,1,0,0|1,0,1]=4 541 B13R2.4825 CC1CC2=C(C1=O)C=CC=C2Br B151860 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.3683 CN1CCC2=C(C1)C=CC(=C2)Br B589613 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.5151 C1CC(=O)C2=C(C=CC(=C21)Br)F B189271 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.12 CCCCC1=CC=CO1 B152372 [1,0,0,0,1,0|2,0,0]=4 545 B9R1.12 CCCCC1=CC=CS1 N189024 [1,0,0,0,1,0|2,0,0]=4 546 B9R1.12 CCCCC1=CSC=C1 B100752 [1,0,0,0,1,0|2,0,0]=4