0 B9R1.11 C1=COC(=C1)C(=O)CO F339585 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.11 C1=COC(=C1)C(=O)NN F133378 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.11 C1=CSC(=C1)C(=O)CBr B165665 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.11 C1=CSC(=C1)C(=O)NN T103202 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.11 CCC(=O)C1=CC=CO1 P339593 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.11 CCC(=O)C1=CC=CS1 P160666 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.11 CCC(=O)C1=NC=CS1 P160318 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.11 COC(=O)C1=CC=CN1 M119395 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.11 COC(=O)C1=CC=CO1 M103048 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.11 COC(=O)C1=CC=CS1 M157944 [0,0,0,0,0,0|0,1,0]=1 10 B9R1.11 COC(=O)C1=CC=NN1 M124706 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.11 COC(=O)C1=CCCC1 M135404 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.11 COC(=O)C1=CCSC1 M157933 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.11 COC(=O)C1=CN=CN1 M119069 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.11 COC(=O)C1=CN=CS1 M181540 [0,0,0,0,0,0|1,1,0]=2 15 B9R1.11 COC(=O)C1=CNC=C1 M169181 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.11 COC(=O)C1=CNN=C1 M176651 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.11 COC(=O)C1=COC=C1 M158542 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.11 COC(=O)C1=CSC=C1 M123059 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.11 COC(=O)C1=NC=NN1 M111368 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.11 COC(=O)C1=NNN=C1 M589257 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.11 COC(=O)C1CC=CC1 M135200 [0,0,0,0,0,0|1,0,2]=3 22 B9R1.11 COC(=O)C1CCCO1 M158460 [0,0,0,0,0,0|0,0,4]=4 23 B9R1.11 CSC(=O)C1=CC=CO1 S161299 [0,0,0,0,0,0|0,1,0]=1 24 B8R1.7 B(C1=CC=CO1)(O)O F111872 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.7 B(C1=CC=CS1)(O)O T107124 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.7 C1=C(C=NN1)C(=O)O P119073 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 C1=C(C=NO1)C(=O)O I341530 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 C1=C(N=CS1)C(=O)O T119302 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 C1=C(NC=N1)C(=O)N H303286 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 C1=C(NC=N1)C(=O)O I111403 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.7 C1=C(NN=C1)C(=O)O H337020 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 C1=C(NN=C1)C(=O)O P160445 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 C1=C(OC=N1)C(=O)O O138079 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 C1=C(ON=C1)C(=O)Cl I469461 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 C1=C(ON=C1)C(=O)O I121616 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 C1=C(SC=N1)C(=O)N T339940 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.7 C1=C(SC=N1)C(=O)O T405006 [1,0,0,0,0,0|1,1,0]=3 38 B8R1.7 C1=CN=C(N1)C(=O)N H191251 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 C1=CN=C(N1)C(=O)O H134313 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 C1=CNC(=C1)C(=O)O P106858 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 C1=CNC(=C1)[N+](=O)[O-] N185435 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.7 C1=CNC=C1C(=O)O P139452 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 C1=COC(=C1)C(=N)N F356787 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 C1=COC(=C1)C(=O)Cl F107848 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.7 C1=COC(=C1)C(=O)N F404495 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.7 C1=COC(=C1)C(=O)O F111223 [1,0,0,0,0,0|0,0,0]=1 47 B8R1.7 C1=COC(=C1)C(=O)O F426656 [1,0,0,0,0,0|0,0,0]=1 48 B8R1.7 C1=COC=C1C(=O)Cl F169128 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 C1=COC=C1C(=O)O F156653 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 C1=CON=C1C(=O)O I133309 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 C1=CSC(=C1)C(=O)Cl T162807 [1,0,0,0,0,0|1,1,0]=3 52 B8R1.7 C1=CSC(=C1)C(=O)Cl T471243 [1,0,0,0,0,0|1,1,0]=3 53 B8R1.7 C1=CSC(=C1)C(=O)N T162813 [1,0,0,0,0,0|1,1,0]=3 54 B8R1.7 C1=CSC(=C1)C(=O)O T107125 [1,0,0,0,0,0|0,1,0]=2 55 B8R1.7 C1=CSC(=C1)C(=O)[O-] C115572 [1,0,0,0,0,0|0,1,1]=3 56 B8R1.7 C1=CSC(=C1)C(=S)N T302722 [1,0,0,0,0,0|1,2,0]=4 57 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] N101613 [1,0,0,0,0,0|1,1,1]=4 58 B8R1.7 C1=CSC(=N1)C(=O)O T131973 [1,0,0,0,0,0|1,1,0]=3 59 B8R1.7 C1=CSC=C1C(=O)Cl T170244 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 C1=CSC=C1C(=O)O T124563 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 C1=NNC(=N1)C(=O)O T170575 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 C1=NON=C1C(=O)O O195579 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 C1C=CC(N1)C(=O)O D137596 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.7 C1C=CC(N1)C(=O)O D169706 [1,0,0,0,0,0|1,0,2]=4 65 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.7 C1CC=C(C1)C(=O)O C153747 [1,0,0,0,0,0|1,0,2]=4 67 B8R1.7 CC(=C1C=CC=C1)C D168651 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.7 CC(=O)C1=CC=CN1 A113378 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 CC(=O)C1=CC=CO1 F106238 [1,0,0,0,0,0|0,0,0]=1 70 B8R1.7 CC(=O)C1=CC=CS1 A109378 [1,0,0,0,0,0|0,1,0]=2 71 B8R1.7 CC(=O)C1=CC=NN1 H588033 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 CC(=O)C1=CN=CN1 A194232 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.7 CC(=O)C1=CNC=C1 A179139 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 CC(=O)C1=CNN=C1 H175889 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 CC(=O)C1=CSC=C1 A111250 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.7 CC(=O)C1=NC=CS1 A124071 [1,0,0,0,0,0|1,1,0]=3 77 B8R1.7 CC(=O)N1C=CN=C1 A100252 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.7 CC(C1=CC=CO1)O R588542 [1,0,0,0,0,0|0,0,2]=3 79 B8R1.7 CC(C1=CC=CO1)O x170274 [1,0,0,0,0,0|0,0,2]=3 80 B8R1.8 C1=COC(=C1)C=NO F356785 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.8 C1=CSC(=C1)C=NO T169362 [1,0,0,0,0,0|2,1,0]=4 82 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.8 CCCC1=CC=CS1 P167542 [1,0,0,0,0,0|1,1,1]=4 84 B8R1.8 CNCC1=CC=CO1 I170508 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.8 CSCC1=CC=CO1 F102908 [1,0,0,0,0,0|0,1,1]=3 86 B10R1.11 C1=COC(=C1)C(=O)CC#N B301199 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.11 C1=CSC(=C1)C(=O)CC#N O101868 [0,1,0,0,0,0|1,1,1]=4 88 B10R1.11 C1=CSC(=C1)C(=O)CCCl C354151 [0,1,0,0,0,0|1,1,0]=3 89 B10R1.11 CCOC(=O)C1=CC=CN1 E132564 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.11 CCOC(=O)C1=CC=CO1 E156335 [0,1,0,0,0,0|0,0,0]=1 91 B10R1.11 CCOC(=O)C1=CC=CO1 E302418 [0,1,0,0,0,0|0,0,0]=1 92 B10R1.11 CCOC(=O)C1=CC=CS1 E113851 [0,1,0,0,0,0|0,1,0]=2 93 B10R1.11 CCOC(=O)C1=CC=NN1 E136202 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.11 CCOC(=O)C1=CN=CN1 E156332 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.11 CCOC(=O)C1=CN=CO1 E586533 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.11 CCOC(=O)C1=CN=CS1 E183733 [0,1,0,0,0,0|1,1,0]=3 97 B10R1.11 CCOC(=O)C1=CNN=C1 E121781 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.11 CCOC(=O)C1=COC=C1 E156334 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.11 CCOC(=O)C1=COC=N1 E102774 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.11 CCOC(=O)C1=CSC=C1 E123056 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.11 CCOC(=O)C1=CSC=N1 E131979 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.11 CCOC(=O)C1=NC=CN1 E124091 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.11 CCOC(=O)C1=NC=CN1 E501359 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.11 CCOC(=O)C1=NC=CS1 E190966 [0,1,0,0,0,0|1,1,0]=3 105 B10R1.11 CCOC(=O)C1=NNN=C1 E193275 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.11 CCOC(=O)C1CC=CC1 E134358 [0,1,0,0,0,0|1,0,2]=4 107 B10R1.11 CCOC(=O)N1C=CN=C1 E486825 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.14 C1=C(SC(=C1)Cl)C(=O)CBr B185332 [0,1,0,0,0,0|2,1,0]=4 109 B10R1.14 CC1=CC(=NN1)C(=O)OC M138556 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.14 CC1=CC(=NO1)C(=O)OC M106702 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.14 CC1=CC=C(N1)C(=O)OC M586547 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.14 CC1=CC=C(O1)C(=O)OC M192320 [0,1,0,0,0,0|0,0,0]=1 113 B10R1.14 CC1=CC=C(S1)C(=O)OC M182448 [0,1,0,0,0,0|0,1,0]=2 114 B10R1.14 CC1=CSC(=N1)C(=O)OC M587284 [0,1,0,0,0,0|1,1,0]=3 115 B10R1.14 CC1=NOC(=C1)C(=O)CBr B586244 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.14 CCC(=O)C1=CC=C(O1)C M158535 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.14 CCC(=O)C1=CC=C(S1)Br B169569 [0,1,0,0,0,0|1,1,0]=3 118 B10R1.14 CN1C=C(N=C1)C(=O)OC M174960 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.14 CN1C=NC(=N1)C(=O)OC M406975 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 COC(=O)C1=CC(=CN1)Br M139460 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.14 COC(=O)C1=CC(=CS1)Br M176961 [0,1,0,0,0,0|0,1,0]=2 122 B10R1.14 COC(=O)C1=CC(=CS1)N A187877 [0,1,0,0,0,0|0,1,0]=2 123 B10R1.14 COC(=O)C1=CC(=O)NO1 M132085 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.14 COC(=O)C1=CC=C(N1)Cl M587682 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.14 COC(=O)C1=CC=C(O1)Br M137548 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.14 COC(=O)C1=CC=C(S1)Br M176962 [0,1,0,0,0,0|0,1,0]=2 127 B10R1.14 COC(=O)C1=CC=C(S1)Cl M303523 [0,1,0,0,0,0|0,1,0]=2 128 B10R1.14 COC(=O)C1=CN=C(S1)Br M133482 [0,1,0,0,0,0|1,1,0]=3 129 B10R1.14 COC(=O)C1=CN=C(S1)N M158472 [0,1,0,0,0,0|1,1,0]=3 130 B10R1.14 COC(=O)C1=CSC(=C1)Br M195606 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.14 COC(=O)C1=CSC(=C1)Cl M176259 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.14 COC(=O)C1=CSC(=N1)Br M121872 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.14 COC(=O)C1=CSC(=N1)N M131857 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.14 COC(=O)C1=NC(=NN1)N A138743 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.14 COC(=O)C1=NNC(=C1)Br M588240 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.149 CC1=C(C=CN1)C(=O)OC M588699 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.149 CC1=C(C=CO1)C(=O)OC M171172 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.149 CC1=C(C=NN1)C(=O)OC M192199 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.149 CC1=C(OC=C1)C(=O)OC M135033 [0,1,0,0,0,0|0,0,0]=1 140 B10R1.149 CC1=C(SC=C1)C(=O)OC M123030 [0,1,0,0,0,0|0,1,0]=2 141 B10R1.149 CC1=C(SC=C1)C(=O)OC M196936 [0,1,0,0,0,0|0,1,0]=2 142 B10R1.149 CN1C(=NC=N1)C(=O)OC M406970 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.149 CN1C=CC=C1C(=O)OC M137211 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.149 CN1C=NC=C1C(=O)OC M124744 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.149 COC(=O)C1=C(C=CO1)N M178532 [0,1,0,0,0,0|0,0,0]=1 146 B10R1.149 COC(=O)C1=C(C=CS1)Br M157924 [0,1,0,0,0,0|0,1,0]=2 147 B10R1.149 COC(=O)C1=C(C=CS1)Cl M134469 [0,1,0,0,0,0|0,1,0]=2 148 B10R1.149 COC(=O)C1=C(C=CS1)F M157778 [0,1,0,0,0,0|0,1,0]=2 149 B10R1.149 COC(=O)C1=C(C=CS1)N M102354 [0,1,0,0,0,0|0,1,0]=2 150 B10R1.149 COC(=O)C1=C(C=NN1)Br M186723 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.149 COC(=O)C1=C(C=NN1)N M176254 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.149 COC(=O)C1=C(NC=N1)Br M586353 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.149 COC(=O)C1=C(NN=C1)N M192564 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.149 COC(=O)C1=C(SC=C1)N M102312 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.149 COC(=O)C1=C(SC=N1)Br M188140 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.149 COC(=O)C1=CSC=C1N M588998 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.6 CC=CC=CC(=O)OC M158512 [0,0,1,0,0,0|1,0,0]=2 158 B8R0.6 CCCC=CC(=O)OC M134288 [0,0,1,0,0,0|1,0,2]=4 159 B8R0.6 COC(=O)CCCC=C M158008 [0,0,1,0,0,0|1,0,2]=4 160 B10R1.15 C#CC(=O)C1=CC=CC=C1 P303550 [0,0,0,0,0,1|2,0,1]=4 161 B10R1.15 C1=CC(=CN=C1)C(=O)CBr B131799 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.15 C1=CC(=CN=C1)C(=O)NN N109733 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.15 C1=CC=C(C=C1)C(=O)C#N B101370 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.15 C1=CC=C(C=C1)C(=O)C=O P165810 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B103328 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.15 C1=CC=C(C=C1)C(=O)CBr B131582 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.15 C1=CC=C(C=C1)C(=O)CCl C475739 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.15 C1=CC=C(C=C1)C(=O)CO H102370 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.15 C1=CC=C(C=C1)C(=O)NN B104697 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.15 C1=CC=C(C=C1)C(=O)NO B152659 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.15 C1=CC=C(C=C1)C(=O)N[O-] S161112 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.15 C1=CC=NC(=C1)C(=O)CBr B182147 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.15 C1=CC=NC(=C1)C(=O)NN P123196 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.15 C1=CN=C(C=N1)C(=O)NN P194980 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.15 C1=CN=C(N=C1)C(=O)CBr B174576 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.15 C1=CN=CC=C1C(=O)CBr B193798 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.15 C1=CN=CC=C1C(=O)NN I104690 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.15 C1=CN=CC=C1C(=O)NN I104692 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.15 C1=CN=CN=C1C(=O)NN P193181 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.15 C=CC(=O)C1=CC=CC=C1 P304587 [0,0,0,0,0,1|2,0,1]=4 182 B10R1.15 CCC(=C)C1=CC=CC=C1 B302726 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.15 CCC(=O)C1=CN=CC=C1 P131764 [0,0,0,0,0,1|2,0,0]=3 184 B10R1.15 CNC(=O)C1=CC=CC=C1 N304144 [0,0,0,0,0,1|2,0,0]=3 185 B10R1.15 CNC(=O)C1=CN=CC=C1 N159805 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.15 CNC(=O)C1=CN=CC=C1 N420708 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.15 COC(=N)C1=CC=CC=C1 M158319 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.15 COC(=N)C1=CC=CC=N1 M157825 [0,0,0,0,0,1|2,0,0]=3 189 B10R1.15 COC(=O)C1=CC=CC=C1 M108588 [0,0,0,0,0,1|1,0,0]=2 190 B10R1.15 COC(=O)C1=CC=CC=C1 M108589 [0,0,0,0,0,1|1,0,0]=2 191 B10R1.15 COC(=O)C1=CC=CC=C1 M108590 [0,0,0,0,0,1|1,0,0]=2 192 B10R1.15 COC(=O)C1=CC=CC=C1 M108591 [0,0,0,0,0,1|1,0,0]=2 193 B10R1.15 COC(=O)C1=CC=CC=C1 M282394 [0,0,0,0,0,1|1,0,0]=2 194 B10R1.15 COC(=O)C1=CC=CC=N1 M157799 [0,0,0,0,0,1|1,0,0]=2 195 B10R1.15 COC(=O)C1=CC=NC=C1 M157816 [0,0,0,0,0,1|1,0,0]=2 196 B10R1.15 COC(=O)C1=CCCCC1 M168102 [0,0,0,0,0,1|1,0,2]=4 197 B10R1.15 COC(=O)C1=CCOCC1 M171857 [0,0,0,0,0,1|1,0,2]=4 198 B10R1.15 COC(=O)C1=CN=CC=C1 M120395 [0,0,0,0,0,1|1,0,0]=2 199 B10R1.15 COC(=O)C1=CN=CC=C1 M426993 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.15 COC(=O)C1=NC=CC=N1 M129074 [0,0,0,0,0,1|1,0,0]=2 201 B10R1.15 COC(=O)C1=NC=CN=C1 M158371 [0,0,0,0,0,1|1,0,0]=2 202 B10R1.15 COC(=O)C1CCC=CC1 C121950 [0,0,0,0,0,1|1,0,2]=4 203 B10R1.15 COS(=O)C1=CC=CC=C1 M158264 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.15 C\C=C(\C)/C1=CC=CC=C1 C348081 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.15 NNC(=O)C1=CC=NC=C1 I409088 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.27 COC(=O)CC1=CSC=C1 M491672 [0,0,0,0,0,1|2,0,0]=3 207 B7R0.3 COC(=O)C=CC=C M167458 [1,0,1,0,0,0|0,0,0]=2 208 B7R0.3 COC(=O)C=CC=O M158237 [1,0,1,0,0,0|0,0,1]=3 209 B7R0.3 COC(=O)C=CCBr M137638 [1,0,1,0,0,0|1,0,1]=4 210 B7R0.3 COC(=O)C=CCBr M158855 [1,0,1,0,0,0|1,0,1]=4 211 B7R0.3 COC(=O)CCC=C M338666 [1,0,1,0,0,0|0,0,2]=4 212 B7R0.3 COC(=O)OCC=C A136273 [1,0,1,0,0,0|0,0,1]=3 213 B7R0.3 COC=CC(=O)OC M105075 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.3 COC=CC(=O)OC M135197 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.5 CC(=C)C(=O)OC=C V162960 [1,0,1,0,0,0|2,0,0]=4 216 B7R0.7 CC=CC(=O)OC=C V162948 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.10 CC=C(C)C(=O)OC M158196 [1,0,1,0,0,0|0,0,2]=4 218 B7R0.10 COC(=O)C(=C)C#N M587088 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.10 COC(=O)C(=C)CBr M138825 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.10 COC(=O)C(=C)CO M167537 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.10 COC(=O)C(=O)OC D103008 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.10 COC(=O)C(=O)OC D103009 [1,0,1,0,0,0|1,0,1]=4 223 B7R0.1 CCC=CC=CC=O H102914 [1,0,1,0,0,0|1,0,1]=4 224 B7R0.4 CC=CC=CC(=O)C H156931 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.4 CC=CC=CC(=O)O H431430 [1,0,1,0,0,0|1,0,0]=3 226 B7R0.4 CC=CC=CC(=O)O S101106 [1,0,1,0,0,0|1,0,0]=3 227 B7R0.4 CC=CC=CC(=O)O S101108 [1,0,1,0,0,0|1,0,0]=3 228 B7R0.4 CC=CC=CC(=O)O S101109 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.4 CC=CC=CC(=O)O S101111 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.4 CC=CC=CC(=O)O S420601 [1,0,1,0,0,0|1,0,0]=3 231 B7R0.4 CC=CC=CC(=O)[O-] P103845 [1,0,1,0,0,0|1,0,1]=4 232 B7R0.4 CC=CC=CC(=O)[O-] P103846 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.4 CC=CC=CC(=O)[O-] P103847 [1,0,1,0,0,0|1,0,1]=4 234 B7R0.4 CC=CC=CC(=O)[O-] P422842 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.4 CC=CC=CC(=O)[O-] S161310 [1,0,1,0,0,0|1,0,1]=4 236 B7R1.1 C1=C(N=CO1)C=O O159993 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.1 C1=C(N=CS1)C=O T135085 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.1 C1=C(NC=N1)C=O I124241 [2,0,0,0,0,0|2,0,0]=4 239 B7R1.1 C1=C(NN=C1)C=O P140216 [2,0,0,0,0,0|2,0,0]=4 240 B7R1.1 C1=C(SC=N1)C=O W132585 [2,0,0,0,0,0|1,1,0]=4 241 B7R1.1 C1=CNC(=C1)C=O P123130 [2,0,0,0,0,0|1,0,0]=3 242 B7R1.1 C1=COC(=C1)C#N F139092 [2,0,0,0,0,0|1,0,1]=4 243 B7R1.1 C1=COC(=C1)C=O F100546 [2,0,0,0,0,0|0,0,0]=2 244 B7R1.1 C1=COC(=C1)C=O F100547 [2,0,0,0,0,0|0,0,0]=2 245 B7R1.1 C1=COC(=C1)C=O F100548 [2,0,0,0,0,0|0,0,0]=2 246 B7R1.1 C1=COC(=C1)C=O F336820 [2,0,0,0,0,0|0,0,0]=2 247 B7R1.1 C1=COC(=C1)CN F111778 [2,0,0,0,0,0|1,0,1]=4 248 B7R1.1 C1=COC(=C1)CN F493732 [2,0,0,0,0,0|1,0,1]=4 249 B7R1.1 C1=COC(=C1)CO F110603 [2,0,0,0,0,0|0,0,1]=3 250 B7R1.1 C1=COC(=C1)CO F110604 [2,0,0,0,0,0|0,0,1]=3 251 B7R1.1 C1=COC(=C1)CS F102900 [2,0,0,0,0,0|0,1,1]=4 252 B7R1.1 C1=COC=C1C=O F122652 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.1 C1=CSC(=C1)C=O T107122 [2,0,0,0,0,0|0,1,0]=3 254 B7R1.1 C1=CSC(=C1)CO T162809 [2,0,0,0,0,0|0,1,1]=4 255 B7R1.1 C1=CSC(=N1)C=O T107968 [2,0,0,0,0,0|1,1,0]=4 256 B7R1.1 C1=CSC=C1C=O T115194 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.1 C=CC1=CC=CS1 V305289 [2,0,0,0,0,0|0,1,1]=4 258 B7R1.1 CCC1=CC=CN1 E156214 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.1 CCC1=CC=CO1 E102538 [2,0,0,0,0,0|0,0,1]=3 260 B7R1.1 CCC1=CC=CO1 E141264 [2,0,0,0,0,0|0,0,1]=3 261 B7R1.1 CCC1=CC=CS1 E101589 [2,0,0,0,0,0|0,1,1]=4 262 B7R1.1 CCC1=CC=C[CH-]1 D166828 [2,0,0,0,0,0|1,0,1]=4 263 B7R1.1 COC1=CC=CO1 M158540 [2,0,0,0,0,0|0,0,0]=2 264 B7R1.1 COC1=CC=CS1 M103170 [2,0,0,0,0,0|0,1,0]=3 265 B7R1.1 COC1=CC=NN1 M588136 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.1 COC1=CSC=C1 M103169 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.1 COC1=NC=CS1 M158486 [2,0,0,0,0,0|1,1,0]=4 268 B7R1.1 CSC1=CC=CS1 M123048 [2,0,0,0,0,0|0,2,0]=4 269 B9R0.23 CC(=O)NC(=C)C(=O)OC M157974 [0,1,1,0,0,0|1,0,1]=4 270 B9R0.5 CCOC(=O)C=CC=CC E132577 [0,1,1,0,0,0|1,0,0]=3 271 B9R0.24 COC(=O)/C=C/C(=O)OC D408186 [0,1,1,0,0,0|2,0,0]=4 272 B9R0.24 COC(=O)C=CC(=O)OC D106459 [0,1,1,0,0,0|2,0,0]=4 273 B9R0.24 COC(=O)C=CC(=O)OC D106460 [0,1,1,0,0,0|2,0,0]=4 274 B9R0.24 COC(=O)C=CC(=O)OC D108608 [0,1,1,0,0,0|2,0,0]=4 275 B9R1.19 CC(C)(C)C1=CC=CO1 T339365 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.35 C1=C(N=C(S1)Br)C(=O)O B152754 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.35 C1=C(N=C(S1)C(=O)O)Br B178029 [1,1,0,0,0,0|1,1,0]=4 278 B9R1.35 C1=C(N=C(S1)Cl)C(=O)O C133468 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.35 C1=C(N=C(S1)N)C(=O)O A184340 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.35 C1=C(NC(=O)N1)C(=O)O D138792 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.35 C1=C(NC=C1Br)C(=O)O W134576 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.35 C1=C(NN=C1C(=O)O)Br B587873 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.35 C1=C(OC(=C1)Br)C(=O)O B139036 [1,1,0,0,0,0|0,0,0]=2 284 B9R1.35 C1=C(OC(=C1)Cl)C(=O)O C480705 [1,1,0,0,0,0|0,0,0]=2 285 B9R1.35 C1=C(OC=C1Br)C(=O)O B588799 [1,1,0,0,0,0|0,0,0]=2 286 B9R1.35 C1=C(ON=C1Br)C(=O)O B194427 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.35 C1=C(SC(=C1)Br)C(=O)O B123511 [1,1,0,0,0,0|0,1,0]=3 288 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl C136614 [1,1,0,0,0,0|1,1,0]=4 289 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O C101862 [1,1,0,0,0,0|0,1,0]=3 290 B9R1.35 C1=C(SC(=N1)Br)C(=O)O B119304 [1,1,0,0,0,0|1,1,0]=4 291 B9R1.35 C1=C(SC(=N1)Cl)C(=O)O C586129 [1,1,0,0,0,0|1,1,0]=4 292 B9R1.35 C1=C(SC(=N1)N)C(=O)O A184341 [1,1,0,0,0,0|1,1,0]=4 293 B9R1.35 C1=C(SC=C1Br)C(=O)N B186842 [1,1,0,0,0,0|1,1,0]=4 294 B9R1.35 C1=C(SC=C1Br)C(=O)O B153190 [1,1,0,0,0,0|0,1,0]=3 295 B9R1.35 C1=C(SC=C1C(=O)O)Br B123350 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.35 C1=C(SC=C1C(=O)O)Cl C176258 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.35 C1=C(SC=C1Cl)C(=O)O C185466 [1,1,0,0,0,0|0,1,0]=3 298 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [1,1,0,0,0,0|1,0,1]=4 299 B9R1.35 CC(=O)C1=CC(=CS1)Br B186234 [1,1,0,0,0,0|0,1,0]=3 300 B9R1.35 CC(=O)C1=CC(=CS1)Cl C303501 [1,1,0,0,0,0|0,1,0]=3 301 B9R1.35 CC(=O)C1=CC=C(S1)Br A100556 [1,1,0,0,0,0|0,1,0]=3 302 B9R1.35 CC(=O)C1=CC=C(S1)Cl A151017 [1,1,0,0,0,0|0,1,0]=3 303 B9R1.35 CC(=O)C1=CSC(=C1)Cl A171083 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.35 CC1=CC(=CS1)C(=O)O M168225 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.35 CC1=CC(=NN1)C(=O)O M123107 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.35 CC1=CC(=NO1)C(=O)O M113629 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [1,1,0,0,0,0|0,0,0]=2 308 B9R1.35 CC1=CC=C(S1)C(=O)C A113376 [1,1,0,0,0,0|0,1,0]=3 309 B9R1.35 CC1=CC=C(S1)C(=O)O M157939 [1,1,0,0,0,0|0,1,0]=3 310 B9R1.35 CC1=CN=C(S1)C(=O)O M304139 [1,1,0,0,0,0|1,1,0]=4 311 B9R1.35 CC1=CSC(=C1)C(=O)C A167104 [1,1,0,0,0,0|0,1,0]=3 312 B9R1.35 CC1=CSC(=C1)C(=O)O M167262 [1,1,0,0,0,0|0,1,0]=3 313 B9R1.35 CC1=CSC(=N1)C(=O)C A469639 [1,1,0,0,0,0|1,1,0]=4 314 B9R1.35 CC1=NC(=CO1)C(=O)O M168812 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.35 CC1=NC(=CS1)C(=O)O M158475 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.35 CC1=NC=C(S1)C(=O)O M136312 [1,1,0,0,0,0|1,1,0]=4 317 B9R1.35 CC1=NOC(=C1)C(=O)O M158059 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.35 CN1C=C(N=C1)C(=O)O M158534 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.35 CN1C=CC(=C1)C(=O)O M184068 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.35 CN1C=CC(=N1)C(=O)O M158357 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.41 C1=COC(=C1C(=O)O)Br B168316 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.41 C1=CSC(=C1Br)C(=O)O B153084 [1,1,0,0,0,0|0,1,0]=3 323 B9R1.41 C1=CSC(=C1Cl)C(=O)O C171119 [1,1,0,0,0,0|0,1,0]=3 324 B9R1.41 C1=CSC(=C1F)C(=O)O F156771 [1,1,0,0,0,0|0,1,0]=3 325 B9R1.41 C1=NC(=C(S1)Br)C(=O)O B178969 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.41 C1=NNC(=C1Cl)C(=O)O C186879 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.41 C1=NNC(=C1I)C(=O)O I194474 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.41 CC(=O)C1=C(C=CS1)Br A170327 [1,1,0,0,0,0|0,1,0]=3 329 B9R1.41 CC(=O)C1=CC=CN1C A151233 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.41 CC1=C(C=CN1)C(=O)O M169971 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.41 CC1=C(C=CO1)C(=O)O M420052 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.41 CC1=C(N=CN1)C(=O)O M190975 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.41 CC1=C(NC=C1)C(=O)O M188022 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.41 CC1=C(OC=C1)C(=O)Cl M168768 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.41 CC1=C(OC=C1)C(=O)O M158537 [1,1,0,0,0,0|0,0,0]=2 336 B9R1.41 CC1=C(OC=N1)C(=O)O M134377 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.41 CC1=C(SC=C1)C(=O)C A167103 [1,1,0,0,0,0|0,1,0]=3 338 B9R1.41 CC1=C(SC=C1)C(=O)Cl M135032 [1,1,0,0,0,0|1,1,0]=4 339 B9R1.41 CC1=C(SC=C1)C(=O)O M157938 [1,1,0,0,0,0|0,1,0]=3 340 B9R1.41 CC1=C(SC=N1)C(=O)C M170041 [1,1,0,0,0,0|1,1,0]=4 341 B9R1.41 CC1=C(SC=N1)C(=O)O M132712 [1,1,0,0,0,0|1,1,0]=4 342 B9R1.41 CN1C(=CC=N1)C(=O)O M158359 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.41 CN1C=CC=C1C(=O)O M123147 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.41 CN1C=CN=C1C(=O)O M168423 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.41 CN1C=NC=C1C(=O)O M119409 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.12 C1=COC(=C1)C=CC=O F103082 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.12 CCCCC1=CC=CO1 B152372 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.12 CSSCC1=CC=CO1 F103101 [1,1,0,0,0,0|0,1,1]=4 349 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 M158265 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.16 C1=CC(=CN=C1)C(=O)NCO N159804 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.16 C1=CC=C(C=C1)C(=O)CCCl C154064 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.16 C1=CC=C(C=C1)C(=O)OCCl C331582 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.16 C=COC(=O)C1=CC=CC=C1 V162943 [0,1,0,0,0,1|1,0,1]=4 354 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P122944 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.16 CCCC(=O)C1=CC=CC=C1 B100860 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.16 CCCC(=O)C1=CC=CC=N1 B588269 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.16 CCNC(=O)C1=CN=CC=C1 N159628 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.16 CCOC(=N)C1=CC=CC=C1 E170842 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103424 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103425 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.16 CCOC(=O)C1=CC=CC=C1 E103426 [0,1,0,0,0,1|1,0,0]=3 362 B11R1.16 CCOC(=O)C1=CC=CC=N1 E133202 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.16 CCOC(=O)C1=CC=NC=C1 E123188 [0,1,0,0,0,1|1,0,0]=3 364 B11R1.16 CCOC(=O)C1=CN=CC=C1 E104496 [0,1,0,0,0,1|1,0,0]=3 365 B11R1.16 CCOC(=O)C1=NC=CC=N1 E184499 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.16 CCOC(=O)C1=NC=NC=C1 E156273 [0,1,0,0,0,1|1,0,0]=3 367 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 E133085 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.16 CNOC(=O)C1=CC=CC=C1 O159914 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.22 CC1=CC=C(C=C1)C(=O)OC M110633 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.22 CC1=CN=C(C=C1)C(=O)OC M192593 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.22 CC1=CN=C(C=N1)C(=O)OC M184412 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.22 CC1=NC=C(C=C1)C(=O)OC M128103 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br B137954 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.22 CCC(=O)C1=CC=C(C=C1)C M102232 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl C109480 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.22 CCC(=O)C1=CC=C(C=C1)F F156638 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.22 CCC(=O)C1=CC=C(C=C1)N A419382 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.22 CCC(=O)C1=CC=C(C=C1)O H107590 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br N183369 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.22 CNC(=O)C1=CC=C(C=C1)N A151421 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.22 CNC(=O)C1=CN=C(C=C1)Cl C193841 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.22 COC(=N)C1=CC=C(C=C1)O B301321 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.22 COC(=O)C1=CC=C(C=C1)Br M157997 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.22 COC(=O)C1=CC=C(C=C1)Cl M158002 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.22 COC(=O)C1=CC=C(C=C1)F F108020 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.22 COC(=O)C1=CC=C(C=C1)I I101961 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.22 COC(=O)C1=CC=C(C=C1)N M111661 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108620 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108621 [0,1,0,0,0,1|1,0,0]=3 390 B11R1.22 COC(=O)C1=CC=C(C=C1)O M108622 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.22 COC(=O)C1=CC=C(C=C1)O M111496 [0,1,0,0,0,1|1,0,0]=3 392 B11R1.22 COC(=O)C1=CC=C(C=C1)O M427229 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M102796 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M102797 [0,1,0,0,0,1|1,0,0]=3 395 B11R1.22 COC(=O)C1=CC=C(C=C1)[O-] M140627 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] M133680 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.22 COC(=O)C1=CN=C(C=C1)Br M175933 [0,1,0,0,0,1|1,0,0]=3 398 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl M158734 [0,1,0,0,0,1|1,0,0]=3 399 B11R1.22 COC(=O)C1=CN=C(C=C1)N M157823 [0,1,0,0,0,1|1,0,0]=3 400 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl M115555 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.22 COC(=O)C1=CN=C(C=N1)N M587135 [0,1,0,0,0,1|1,0,0]=3 402 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl M176018 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.22 COC(=O)C1=CN=C(N=C1)N M121866 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M157821 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.22 COC(=O)C1=COC(=O)C=C1 M102239 [0,1,0,0,0,1|0,0,0]=2 406 B11R1.22 COC(=O)C1=NC=C(C=C1)Br M124673 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl M181170 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.22 COC(=O)C1=NC=C(C=C1)F M171909 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.22 COC(=O)C1=NC=C(C=C1)N M177143 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.22 COC(=O)C1=NC=C(C=C1)O M176070 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.22 COC(=O)C1=NC=C(C=N1)Br M178067 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.22 COC(=O)C1=NN=C(C=C1)Cl M177070 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.22 COC(=O)C1=NNC(=O)C=C1 M176985 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)OO C106491 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)OO C106492 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.23 CC1=CC(=CC=C1)C(=O)OC M158156 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.23 CC1=CC(=CN=C1)C(=O)OC M134916 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.23 CC1=CC(=NC=C1)C(=O)OC M190656 [0,1,0,0,0,1|1,0,0]=3 419 B11R1.23 CC1=NC(=CC=C1)C(=O)OC M124763 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.23 CCC(=O)C1=CC(=CC=C1)Br B138434 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.23 CCC(=O)C1=CC(=CC=C1)Cl C136265 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.23 CCC(=O)C1=CC(=CC=C1)F F138865 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.23 CCC(=O)C1=CC(=CC=C1)O H190518 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.23 CNC(=O)C1=CC(=CC=C1)Br N184787 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.23 CNC(=O)C1=CC(=CC=C1)N A483668 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.23 CNC(=O)C1=CC(=NC=C1)Br B183818 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl C478665 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.23 CNC(=O)C1=NC=CC(=C1)Cl C124049 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.23 COC(=O)C1=CC(=CC=C1)Br M157996 [0,1,0,0,0,1|1,0,0]=3 430 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl M192560 [0,1,0,0,0,1|1,0,0]=3 431 B11R1.23 COC(=O)C1=CC(=CC=C1)I M336336 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.23 COC(=O)C1=CC(=CC=C1)N M139488 [0,1,0,0,0,1|1,0,0]=3 433 B11R1.23 COC(=O)C1=CC(=CC=C1)O M111070 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.23 COC(=O)C1=CC(=CN=C1)Br M138623 [0,1,0,0,0,1|1,0,0]=3 435 B11R1.23 COC(=O)C1=CC(=CN=C1)F M176526 [0,1,0,0,0,1|1,0,0]=3 436 B11R1.23 COC(=O)C1=CC(=CN=C1)N M124727 [0,1,0,0,0,1|1,0,0]=3 437 B11R1.23 COC(=O)C1=CC(=CN=C1)O H128111 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.23 COC(=O)C1=CC(=NC=C1)Br M124334 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.23 COC(=O)C1=CC(=NC=C1)Br M467751 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl M158733 [0,1,0,0,0,1|1,0,0]=3 441 B11R1.23 COC(=O)C1=CC(=NC=C1)I I167040 [0,1,0,0,0,1|1,0,0]=3 442 B11R1.23 COC(=O)C1=CC(=NC=C1)N M128098 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.23 COC(=O)C1=CC(=NC=N1)Cl M589823 [0,1,0,0,0,1|1,0,0]=3 444 B11R1.23 COC(=O)C1=CC(=NN=C1)Cl M171981 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.23 COC(=O)C1=CC(=O)NC=C1 M178097 [0,1,0,0,0,1|1,0,0]=3 446 B11R1.23 COC(=O)C1=CC=CC(=O)N1 M192612 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.23 COC(=O)C1=CN=CC(=N1)Cl M175847 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.23 COC(=O)C1=NC(=CC=C1)Br M120708 [0,1,0,0,0,1|1,0,0]=3 449 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl M158730 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.23 COC(=O)C1=NC(=CC=C1)F M170444 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.23 COC(=O)C1=NC(=CC=C1)I I348831 [0,1,0,0,0,1|1,0,0]=3 452 B11R1.23 COC(=O)C1=NC(=CC=C1)N M157820 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl M181636 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.23 COC(=O)C1=NC=CC(=C1)Br M176043 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl C107904 [0,1,0,0,0,1|1,0,0]=3 456 B11R1.23 COC(=O)C1=NC=CC(=C1)F M177985 [0,1,0,0,0,1|1,0,0]=3 457 B11R1.23 COC(=O)C1=NC=CC(=C1)N M157824 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P194033 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl C154066 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 I134082 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 I185463 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 I134083 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.222 CC1=C(C=CC=N1)C(=O)OC M136712 [0,1,0,0,0,1|1,0,0]=3 464 B11R1.222 CC1=C(C=NC=C1)C(=O)OC M183790 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.222 CC1=C(N=CC=C1)C(=O)OC M135026 [0,1,0,0,0,1|1,0,0]=3 466 B11R1.222 CC1=CC=CC=C1C(=O)OC M113453 [0,1,0,0,0,1|1,0,0]=3 467 B11R1.222 CCC(=O)C1=CC=CC=C1C M182612 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.222 CCC(=O)C1=CC=CC=C1Cl C194312 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.222 CCC(=O)C1=CC=CC=C1F F108013 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.222 CCC(=O)C1=CC=CC=C1O H156886 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.222 CNC(=O)C1=C(N=CC=C1)Cl C502695 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.222 CNC(=O)C1=C(N=CC=C1)N A491733 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.222 CNC(=O)C1=CC=CC=C1F F573628 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.222 CNC(=O)C1=CC=CC=C1N A151423 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.222 CNC(=O)C1=CC=CC=C1O H343180 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.222 CNC(=O)C1=CC=CC=C1S M121843 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.222 COC(=O)C1=C(C=CC=N1)Br M185065 [0,1,0,0,0,1|1,0,0]=3 478 B11R1.222 COC(=O)C1=C(C=CC=N1)F M187270 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.222 COC(=O)C1=C(C=CC=N1)O M185645 [0,1,0,0,0,1|1,0,0]=3 480 B11R1.222 COC(=O)C1=C(C=CN=C1)N M120079 [0,1,0,0,0,1|1,0,0]=3 481 B11R1.222 COC(=O)C1=C(C=NC=C1)Br M185479 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.222 COC(=O)C1=C(C=NC=C1)F M177868 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.222 COC(=O)C1=C(C=NC=C1)N M133492 [0,1,0,0,0,1|1,0,0]=3 484 B11R1.222 COC(=O)C1=C(C=NC=C1)O M165403 [0,1,0,0,0,1|1,0,0]=3 485 B11R1.222 COC(=O)C1=C(N=CC=C1)Br M158728 [0,1,0,0,0,1|1,0,0]=3 486 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl M158731 [0,1,0,0,0,1|1,0,0]=3 487 B11R1.222 COC(=O)C1=C(N=CC=C1)F M137240 [0,1,0,0,0,1|1,0,0]=3 488 B11R1.222 COC(=O)C1=C(N=CC=C1)N M128110 [0,1,0,0,0,1|1,0,0]=3 489 B11R1.222 COC(=O)C1=CC=CC=C1Br M113789 [0,1,0,0,0,1|1,0,0]=3 490 B11R1.222 COC(=O)C1=CC=CC=C1Cl M158001 [0,1,0,0,0,1|1,0,0]=3 491 B11R1.222 COC(=O)C1=CC=CC=C1F M133418 [0,1,0,0,0,1|1,0,0]=3 492 B11R1.222 COC(=O)C1=CC=CC=C1I I101970 [0,1,0,0,0,1|1,0,0]=3 493 B11R1.222 COC(=O)C1=CC=CC=C1N M110159 [0,1,0,0,0,1|1,0,0]=3 494 B11R1.222 COC(=O)C1=CC=CC=C1O M110426 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.222 COC(=O)C1=CC=CC=C1O M110428 [0,1,0,0,0,1|1,0,0]=3 496 B11R1.222 COC(=O)C1=CC=CC=C1O M110429 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.222 COC(=O)C1=CC=CC=C1O M420855 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.222 COC(=O)C1=CC=CC=C1S M101797 [0,1,0,0,0,1|1,0,0]=3 499 B11R1.222 COC(=O)C1=CC=CNC1=O M589846 [0,1,0,0,0,1|1,0,0]=3 500 B11R1.222 COC(=O)C1=CC=COC1=O M169106 [0,1,0,0,0,1|0,0,0]=2 501 B11R1.222 COC(=O)C1=NC=CN=C1Cl M158370 [0,1,0,0,0,1|1,0,0]=3 502 B11R1.222 COC(=O)C1=NC=CN=C1N M123716 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.222 COC(=O)C1=NC=NC=C1Br M178726 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.30 CCOC(=O)CC1=CC=CS1 E341558 [0,1,0,0,0,1|0,1,0]=3 505 B11R1.30 CCOC(=O)CC1=CSC=C1 E170003 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.39 COC(=O)CC1=CSC(=N1)N M185807 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.39 COC(=O)CN1C=C(C=N1)Br M179160 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.228 CN1C=CC=C1CC(=O)OC M193714 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.15 CCOC(=O)C1=CC(=CN1)Br E135142 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.15 CCOC(=O)C1=CC(=CN1)C E138809 [0,2,0,0,0,0|1,0,0]=3 511 B11R1.15 CCOC(=O)C1=CC(=NO1)Br E189505 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.15 CCOC(=O)C1=CC=C(O1)Br E331006 [0,2,0,0,0,0|0,0,0]=2 513 B11R1.15 CCOC(=O)C1=CC=C(S1)Br E123064 [0,2,0,0,0,0|0,1,0]=3 514 B11R1.15 CCOC(=O)C1=CC=C(S1)Cl E123061 [0,2,0,0,0,0|0,1,0]=3 515 B11R1.15 CCOC(=O)C1=CN(C=N1)C E184439 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.15 CCOC(=O)C1=CN=C(O1)Cl E177713 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.15 CCOC(=O)C1=CN=C(S1)Br E119080 [0,2,0,0,0,0|1,1,0]=4 518 B11R1.15 CCOC(=O)C1=CN=C(S1)N E119079 [0,2,0,0,0,0|1,1,0]=4 519 B11R1.15 CCOC(=O)C1=COC(=N1)N E132804 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.15 CCOC(=O)C1=CSC(=C1)Br E191479 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.15 CCOC(=O)C1=CSC(=N1)Br E156176 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.15 CCOC(=O)C1=CSC(=N1)C E293792 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.15 CCOC(=O)C1=CSC(=N1)N E119303 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.15 CCOC(=O)C1=NC=C(N1)Br E195998 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.15 CCOC(=O)C1=NC=C(S1)Br E586574 [0,2,0,0,0,0|1,1,0]=4 526 B11R1.15 CCOC(=O)C1=NN=C(O1)Br E590718 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.15 CCOC(=O)C1=NNC(=C1)Br E175324 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.15 CCOC(=O)C1=NNC(=C1)C E156392 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.15 CCOC(=O)C1=NOC(=C1)C E134920 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.29 C=CCOC(=O)C1=CC=CO1 A133703 [0,2,0,0,0,0|0,0,0]=2 531 B11R1.29 CCCOC(=O)C1=CC=CO1 P160281 [0,2,0,0,0,0|0,0,0]=2 532 B11R1.29 CNCCC(=O)C1=CC=CS1 M589779 [0,2,0,0,0,0|1,1,0]=4 533 B11R1.199 CCOC(=O)C1=C(C=CN1)F E174895 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.199 CCOC(=O)C1=C(C=NN1)Br E176885 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.199 CCOC(=O)C1=C(N=CN1)N E588105 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.199 CCOC(=O)C1=C(N=CO1)C E182633 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.199 CCOC(=O)C1=C(N=CS1)C E132715 [0,2,0,0,0,0|1,1,0]=4 538 B11R1.199 CCOC(=O)C1=C(N=CS1)N E587380 [0,2,0,0,0,0|1,1,0]=4 539 B11R1.199 CCOC(=O)C1=C(NC=C1)N E171930 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.199 CCOC(=O)C1=C(NC=N1)C E184901 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.199 CCOC(=O)C1=C(OC=C1)C E156330 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.199 CCOC(=O)C1=C(SC=C1)Br E487197 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.199 CCOC(=O)C1=C(SC=C1)N E136228 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.199 CCOC(=O)C1=C(SC=N1)Br E185589 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.199 CCOC(=O)C1=C(SC=N1)N E587855 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.199 CCOC(=O)C1=CC=NN1C E468903 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.44 COC(=O)C1=CC(=CN1)C=O M184375 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.44 COC(=O)C1=CC=C(N1)C=O M180030 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.44 COC(=O)C1=CC=C(O1)C=O M354352 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.44 COC(=O)C1=CC=C(O1)CO M335385 [0,2,0,0,0,0|0,0,0]=2 551 B11R1.44 COC(=O)C1=CSC(=C1)C=O F136718 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.225 CC1=C(SC(=N1)N)C(=O)OC M184175 [0,2,0,0,0,0|1,1,0]=4 553 B11R1.225 CC1=CC(=C(O1)C)C(=O)OC M340448 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.225 CC1=CC(=C(S1)C(=O)OC)N M186492 [0,2,0,0,0,0|0,1,0]=3 555 B11R1.225 CC1=CC(=C(S1)N)C(=O)OC M168261 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.225 CC1=NN(C(=C1)C(=O)OC)C M486505 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.225 CN1C(=CC(=N1)Br)C(=O)OC M587708 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.225 CN1C=C(C=C1C(=O)OC)Br M172483 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.225 CN1C=C(N=C1C(=O)OC)Br M590397 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.225 COC(=O)C1=C(C=C(S1)Br)N M171917 [0,2,0,0,0,0|0,1,0]=3 561 B11R1.225 COC(=O)C1=C(SC(=C1)Cl)N M589469 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.225 COC(=O)C1=C(SC(=N1)Br)Br M188159 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.226 CC1=CC(=NN1C)C(=O)OC M158336 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.226 CN1C(=O)C=C(N1)C(=O)OC M170757 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.226 COC(=O)C1=CC(=C(O1)Br)Br M170891 [0,2,0,0,0,0|0,0,0]=2 566 B11R1.865 CC1=CSC(=C1N)C(=O)OC M104081 [0,2,0,0,0,0|0,1,0]=3 567 B11R1.865 COC(=O)C1=C(C(=CS1)Br)N M181875 [0,2,0,0,0,0|0,1,0]=3 568 B11R1.357 C1=COC(=C1)C(=O)C(F)(F)F T191696 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.357 CC(C)(C)C(=O)C1=CC=CS1 T168404 [0,2,0,0,0,0|1,1,0]=4 570 B11R1.59 COC(=O)C1=C(NC=N1)CO M158538 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.875 CN1C(=C(C=N1)N)C(=O)OC M590731 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.875 COC(=O)N1C(=O)C=CC1=O N135983 [0,2,0,0,0,0|2,0,0]=4 573 B9R1.3 CC1=C(C(=CC=C1)O)Br B182885 [0,0,1,1,0,0|2,0,0]=4 574 B9R1.3 CC1=C(C(=CC=C1)O)C D104325 [0,0,1,1,0,0|2,0,0]=4 575 B9R1.3 CC1=C(C(=CC=C1)O)C D104326 [0,0,1,1,0,0|2,0,0]=4 576 B9R1.3 CC1=C(C(=CC=C1)O)C D117386 [0,0,1,1,0,0|2,0,0]=4 577 B9R1.3 CC1=C(C(=CC=C1)O)F F358560 [0,0,1,1,0,0|2,0,0]=4 578 B9R1.3 CC1=C(C(=CC=C1)O)N A151257 [0,0,1,1,0,0|2,0,0]=4 579 B9R1.3 CC1=C(C(=CC=C1)O)O M124478 [0,0,1,1,0,0|1,0,1]=4 580 B9R1.3 CN1C=CC=C(C1=O)Br B177522 [0,0,1,1,0,0|2,0,0]=4 581 B9R1.3 CN1C=CC=C(C1=O)N A588770 [0,0,1,1,0,0|2,0,0]=4 582 B9R1.5 C1=CC=C(C(=O)C=C1)O T112998 [0,0,1,1,0,0|1,0,1]=4 583 B9R1.15 CC1=CC=CC=C1OC M158113 [0,0,1,1,0,0|2,0,0]=4 584 B9R1.15 CCC1=CC=CC=C1O E156225 [0,0,1,1,0,0|2,0,0]=4 585 B9R1.15 CNC1=CC=CC=C1O M194184 [0,0,1,1,0,0|2,0,0]=4 586 B9R1.15 COC1=C(C=CC=N1)Br B120788 [0,0,1,1,0,0|2,0,0]=4 587 B9R1.15 COC1=C(C=CC=N1)Cl C153781 [0,0,1,1,0,0|2,0,0]=4 588 B9R1.15 COC1=C(C=CC=N1)F F195529 [0,0,1,1,0,0|2,0,0]=4 589 B9R1.15 COC1=C(C=CC=N1)I l102600 [0,0,1,1,0,0|2,0,0]=4 590 B9R1.15 COC1=C(C=CC=N1)N M102591 [0,0,1,1,0,0|2,0,0]=4 591 B9R1.15 COC1=C(C=CC=N1)O M587025 [0,0,1,1,0,0|1,0,0]=3 592 B9R1.15 COC1=CC=CC=C1Br B109257 [0,0,1,1,0,0|2,0,0]=4 593 B9R1.15 COC1=CC=CC=C1Cl C110652 [0,0,1,1,0,0|2,0,0]=4 594 B9R1.15 COC1=CC=CC=C1F F120586 [0,0,1,1,0,0|2,0,0]=4 595 B9R1.15 COC1=CC=CC=C1I I101929 [0,0,1,1,0,0|2,0,0]=4 596 B9R1.15 COC1=CC=CC=C1N A103995 [0,0,1,1,0,0|2,0,0]=4 597 B9R1.15 COC1=CC=CC=C1N A103997 [0,0,1,1,0,0|2,0,0]=4 598 B9R1.15 COC1=CC=CC=C1N A141230 [0,0,1,1,0,0|2,0,0]=4 599 B9R1.15 COC1=CC=CC=C1N O160024 [0,0,1,1,0,0|2,0,0]=4 600 B9R1.15 COC1=CC=CC=C1O G112735 [0,0,1,1,0,0|1,0,0]=3 601 B9R1.15 COC1=CC=CC=C1O G426764 [0,0,1,1,0,0|1,0,0]=3 602 B9R1.15 COC1=CC=CC=C1S M101778 [0,0,1,1,0,0|1,1,0]=4 603 B9R1.15 CSC1=CC=CC=C1O M101847 [0,0,1,1,0,0|1,1,0]=4 604 B9R1.2 CC1=CC(=CC=C1)OC M158111 [0,0,1,1,0,0|2,0,0]=4 605 B9R1.2 CC1=NC(=CC=C1)OC M108062 [0,0,1,1,0,0|2,0,0]=4 606 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,0,1,1,0,0|2,0,0]=4 607 B9R1.2 CNC1=CC(=CC=C1)O M587311 [0,0,1,1,0,0|2,0,0]=4 608 B9R1.2 COC1=CC(=CC=C1)Br B100846 [0,0,1,1,0,0|2,0,0]=4 609 B9R1.2 COC1=CC(=CC=C1)Cl C106486 [0,0,1,1,0,0|2,0,0]=4 610 B9R1.2 COC1=CC(=CC=C1)F F120587 [0,0,1,1,0,0|2,0,0]=4 611 B9R1.2 COC1=CC(=CC=C1)I I123674 [0,0,1,1,0,0|2,0,0]=4 612 B9R1.2 COC1=CC(=CC=C1)S M101779 [0,0,1,1,0,0|1,1,0]=4 613 B9R1.2 COC1=CC=CC(=C1)N A107482 [0,0,1,1,0,0|2,0,0]=4 614 B9R1.2 COC1=CC=CC(=C1)O M109432 [0,0,1,1,0,0|1,0,0]=3 615 B9R1.2 COC1=CC=CC(=C1)[CH2-] M300737 [0,0,1,1,0,0|2,0,0]=4 616 B9R1.2 COC1=CC=CC(=N1)N A119397 [0,0,1,1,0,0|2,0,0]=4 617 B9R1.2 COC1=CN=CC(=C1)O W132603 [0,0,1,1,0,0|2,0,0]=4 618 B9R1.2 COC1=NC(=CC=C1)Br B115753 [0,0,1,1,0,0|2,0,0]=4 619 B9R1.2 COC1=NC(=CC=C1)Cl C115751 [0,0,1,1,0,0|2,0,0]=4 620 B9R1.2 COC1=NC(=CC=C1)F F179764 [0,0,1,1,0,0|2,0,0]=4 621 B9R1.2 COC1=NC(=CC=C1)I I168070 [0,0,1,1,0,0|2,0,0]=4 622 B9R1.21 COC1=CC=C(S1)C=O M588828 [0,0,1,1,0,0|0,1,1]=4 623 B9R1.14 COC1=C(OC=C1)C=O M303443 [0,0,1,1,0,0|2,0,0]=4 624 B11R2.1 C1C2=C(C=CC=N2)C(=O)N1 D589008 [0,0,0,1,0,1|2,0,0]=4 625 B11R2.1 C1C2=C(C=NC=C2)C(=O)N1 H176399 [0,0,0,1,0,1|2,0,0]=4 626 B11R2.1 C1C2=CC=CC=C2C(=O)N1 I170551 [0,0,0,1,0,1|2,0,0]=4 627 B11R2.1 C1C2=CC=CC=C2C(=O)O1 P104476 [0,0,0,1,0,1|1,0,0]=3 628 B11R2.1 C1CC(=O)C2=CC=CC=C21 I106436 [0,0,0,1,0,1|2,0,0]=4 629 B11R2.1 C1CC(=O)C2=CC=CC=C21 I426156 [0,0,0,1,0,1|2,0,0]=4 630 B11R2.2 C1=COC(=C1)C2=CN=CO2 F344426 [0,1,0,1,0,0|1,0,1]=4 631 B11R2.2 C1COC(O1)C2=CC=CO2 D155499 [0,1,0,1,0,0|0,0,2]=4 632 B11R2.1031 C1CC1C(=O)C2=CC=CS2 C153341 [0,1,0,1,0,0|1,1,0]=4 633 B7R1.22 COC(=O)C1CO1 G303748 [0,0,0,0,2,0|0,0,2]=4 634 B7R1.22 COC(=O)C1CO1 M344543 [0,0,0,0,2,0|0,0,2]=4 635 B7R1.22 COC(=O)C1CO1 S179901 [0,0,0,0,2,0|0,0,2]=4 636 B9R1.6 C1=C(C=NC=N1)C(=O)O P344409 [1,0,0,0,0,1|2,0,0]=4 637 B9R1.6 C1=CC(=CN=C1)C(=O)Cl N107157 [1,0,0,0,0,1|2,0,0]=4 638 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396895 [1,0,0,0,0,1|2,0,0]=4 639 B9R1.6 C1=CC(=CN=C1)C(=O)N BWY396901 [1,0,0,0,0,1|2,0,0]=4 640 B9R1.6 C1=CC(=CN=C1)C(=O)N N105042 [1,0,0,0,0,1|2,0,0]=4 641 B9R1.6 C1=CC(=CN=C1)C(=O)N N105043 [1,0,0,0,0,1|2,0,0]=4 642 B9R1.6 C1=CC(=CN=C1)C(=O)N N108086 [1,0,0,0,0,1|2,0,0]=4 643 B9R1.6 C1=CC(=CN=C1)C(=O)N N108087 [1,0,0,0,0,1|2,0,0]=4 644 B9R1.6 C1=CC(=CN=C1)C(=O)N N434628 [1,0,0,0,0,1|2,0,0]=4 645 B9R1.6 C1=CC(=CN=C1)C(=O)O N103652 [1,0,0,0,0,1|1,0,0]=3 646 B9R1.6 C1=CC(=CN=C1)C(=O)O N103654 [1,0,0,0,0,1|1,0,0]=3 647 B9R1.6 C1=CC(=CN=C1)C(=O)O N118655 [1,0,0,0,0,1|1,0,0]=3 648 B9R1.6 C1=CC(=CN=C1)C(=O)O N118656 [1,0,0,0,0,1|1,0,0]=3 649 B9R1.6 C1=CC(=CN=C1)C(=O)O N433033 [1,0,0,0,0,1|1,0,0]=3 650 B9R1.6 C1=CC(=CN=C1)C(=O)[O-] S161385 [1,0,0,0,0,1|1,0,1]=4 651 B9R1.6 C1=CC(=NN=C1)C(=O)O P168630 [1,0,0,0,0,1|1,0,0]=3 652 B9R1.6 C1=CC=C(C=C1)C(=O)Br B152056 [1,0,0,0,0,1|2,0,0]=4 653 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104565 [1,0,0,0,0,1|2,0,0]=4 654 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B104566 [1,0,0,0,0,1|2,0,0]=4 655 B9R1.6 C1=CC=C(C=C1)C(=O)Cl B305868 [1,0,0,0,0,1|2,0,0]=4 656 B9R1.6 C1=CC=C(C=C1)C(=O)F B152051 [1,0,0,0,0,1|2,0,0]=4 657 B9R1.6 C1=CC=C(C=C1)C(=O)N B110551 [1,0,0,0,0,1|2,0,0]=4 658 B9R1.6 C1=CC=C(C=C1)C(=O)N B110552 [1,0,0,0,0,1|2,0,0]=4 659 B9R1.6 C1=CC=C(C=C1)C(=O)N B118608 [1,0,0,0,0,1|2,0,0]=4 660 B9R1.6 C1=CC=C(C=C1)C(=O)O B116254 [1,0,0,0,0,1|1,0,0]=3 661 B9R1.6 C1=CC=C(C=C1)C(=O)O B116255 [1,0,0,0,0,1|1,0,0]=3 662 B9R1.6 C1=CC=C(C=C1)C(=O)O B116256 [1,0,0,0,0,1|1,0,0]=3 663 B9R1.6 C1=CC=C(C=C1)C(=O)O B116259 [1,0,0,0,0,1|1,0,0]=3 664 B9R1.6 C1=CC=C(C=C1)C(=O)O B116260 [1,0,0,0,0,1|1,0,0]=3 665 B9R1.6 C1=CC=C(C=C1)C(=O)O B116262 [1,0,0,0,0,1|1,0,0]=3 666 B9R1.6 C1=CC=C(C=C1)C(=O)O B117657 [1,0,0,0,0,1|1,0,0]=3 667 B9R1.6 C1=CC=C(C=C1)C(=O)O B119541 [1,0,0,0,0,1|1,0,0]=3 668 B9R1.6 C1=CC=C(C=C1)C(=O)O B291747 [1,0,0,0,0,1|1,0,0]=3 669 B9R1.6 C1=CC=C(C=C1)C(=O)O B302170 [1,0,0,0,0,1|1,0,0]=3 670 B9R1.6 C1=CC=C(C=C1)C(=O)O B425323 [1,0,0,0,0,1|1,0,0]=3 671 B9R1.6 C1=CC=C(C=C1)C(=O)O B433248 [1,0,0,0,0,1|1,0,0]=3 672 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [1,0,0,0,0,1|1,1,0]=4 673 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112559 [1,0,0,0,0,1|1,0,1]=4 674 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] A112561 [1,0,0,0,0,1|1,0,1]=4 675 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C347199 [1,0,0,0,0,1|1,0,1]=4 676 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] C349185 [1,0,0,0,0,1|1,0,1]=4 677 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] L102020 [1,0,0,0,0,1|1,0,1]=4 678 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] P104052 [1,0,0,0,0,1|1,0,1]=4 679 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104124 [1,0,0,0,0,1|1,0,1]=4 680 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104125 [1,0,0,0,0,1|1,0,1]=4 681 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104127 [1,0,0,0,0,1|1,0,1]=4 682 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S104128 [1,0,0,0,0,1|1,0,1]=4 683 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S124683 [1,0,0,0,0,1|1,0,1]=4 684 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S424558 [1,0,0,0,0,1|1,0,1]=4 685 B9R1.6 C1=CC=C(C=C1)S(=O)O B589671 [1,0,0,0,0,1|2,0,0]=4 686 B9R1.6 C1=CC=C(C=C1)[P+](=O)O P160701 [1,0,0,0,0,1|2,0,0]=4 687 B9R1.6 C1=CC=C(C=C1)[Se](=O)O B152925 [1,0,0,0,0,1|2,0,0]=4 688 B9R1.6 C1=CC=NC(=C1)C(=O)Cl P133422 [1,0,0,0,0,1|2,0,0]=4 689 B9R1.6 C1=CC=NC(=C1)C(=O)N P138238 [1,0,0,0,0,1|2,0,0]=4 690 B9R1.6 C1=CC=NC(=C1)C(=O)O D118689 [1,0,0,0,0,1|1,0,0]=3 691 B9R1.6 C1=CC=NC(=C1)C(=O)O P101920 [1,0,0,0,0,1|1,0,0]=3 692 B9R1.6 C1=CC=NC(=C1)C(=O)O P160049 [1,0,0,0,0,1|1,0,0]=3 693 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C101910 [1,0,0,0,0,1|1,0,1]=4 694 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] C421694 [1,0,0,0,0,1|1,0,1]=4 695 B9R1.6 C1=CN=C(C=N1)C(=O)N P129219 [1,0,0,0,0,1|2,0,0]=4 696 B9R1.6 C1=CN=C(C=N1)C(=O)O P106883 [1,0,0,0,0,1|1,0,0]=3 697 B9R1.6 C1=CN=C(N=C1)C(=O)O P120474 [1,0,0,0,0,1|1,0,0]=3 698 B9R1.6 C1=CN=CC=C1C(=O)Cl I107934 [1,0,0,0,0,1|2,0,0]=4 699 B9R1.6 C1=CN=CC=C1C(=O)N I106833 [1,0,0,0,0,1|2,0,0]=4 700 B9R1.6 C1=CN=CC=C1C(=O)O I101094 [1,0,0,0,0,1|1,0,0]=3 701 B9R1.6 C1=CN=CC=C1C(=O)O I424705 [1,0,0,0,0,1|1,0,0]=3 702 B9R1.6 C1=CN=CC=C1C(=O)[O-] S161415 [1,0,0,0,0,1|1,0,1]=4 703 B9R1.6 C1=CN=CN=C1C(=O)O P133791 [1,0,0,0,0,1|1,0,0]=3 704 B9R1.6 C1=CN=NC=C1C(=O)O P133462 [1,0,0,0,0,1|2,0,0]=4 705 B9R1.6 CC(=C)C1=CC=CC=C1 M104900 [1,0,0,0,0,1|2,0,0]=4 706 B9R1.6 CC(=C)C1=CC=CC=C1 M104901 [1,0,0,0,0,1|2,0,0]=4 707 B9R1.6 CC(=C)C1=CC=CC=C1 P347730 [1,0,0,0,0,1|2,0,0]=4 708 B9R1.6 CC(=C)C1=CC=CC=C1 P491419 [1,0,0,0,0,1|2,0,0]=4 709 B9R1.6 CC(=O)C1=CC=CC=C1 A103666 [1,0,0,0,0,1|1,0,0]=3 710 B9R1.6 CC(=O)C1=CC=CC=C1 A103667 [1,0,0,0,0,1|1,0,0]=3 711 B9R1.6 CC(=O)C1=CC=CC=C1 A103669 [1,0,0,0,0,1|1,0,0]=3 712 B9R1.6 CC(=O)C1=CC=CC=C1 A427211 [1,0,0,0,0,1|1,0,0]=3 713 B9R1.6 CC(=O)C1=CC=CC=C1 A471960 [1,0,0,0,0,1|1,0,0]=3 714 B9R1.6 CC(=O)C1=CC=CC=C1 A474131 [1,0,0,0,0,1|1,0,0]=3 715 B9R1.6 CC(=O)C1=CC=CC=C1 A474138 [1,0,0,0,0,1|1,0,0]=3 716 B9R1.6 CC(=O)C1=CC=CC=N1 A106232 [1,0,0,0,0,1|1,0,0]=3 717 B9R1.6 CC(=O)C1=CC=CC=N1 A106233 [1,0,0,0,0,1|1,0,0]=3 718 B9R1.6 CC(=O)C1=CC=NC=C1 A102942 [1,0,0,0,0,1|1,0,0]=3 719 B9R1.6 CC(=O)C1=CN=CC=C1 A106235 [1,0,0,0,0,1|1,0,0]=3 720 B9R1.6 CC(=O)C1=CN=CC=C1 A106236 [1,0,0,0,0,1|1,0,0]=3 721 B9R1.6 CC(=O)C1=CN=CN=C1 P171742 [1,0,0,0,0,1|2,0,0]=4 722 B9R1.6 CC(=O)C1=CN=NC=C1 P176647 [1,0,0,0,0,1|2,0,0]=4 723 B9R1.6 CC(=O)C1=NC=CC=N1 P176709 [1,0,0,0,0,1|1,0,0]=3 724 B9R1.6 CC(=O)C1=NC=CN=C1 A100996 [1,0,0,0,0,1|1,0,0]=3 725 B9R1.6 CS(=O)C1=CC=CC=C1 M158079 [1,0,0,0,0,1|2,0,0]=4 726 B9R1.6 CS(=O)C1=CC=CC=C1 M464276 [1,0,0,0,0,1|2,0,0]=4 727 B9R1.6 C[Si](=O)C1=CC=CC=C1 P331251 [1,0,0,0,0,1|1,1,0]=4 728 B9R1.6 NC(=O)C1=CC=CN=C1 N407906 [1,0,0,0,0,1|2,0,0]=4 729 B9R1.6 NC(=O)C1=NC=CN=C1 P408463 [1,0,0,0,0,1|2,0,0]=4 730 B9R1.6 OC(=O)C1=CC=CN=C1 N407808 [1,0,0,0,0,1|1,0,0]=3 731 B9R1.8 CC=CC1=CC=CC=C1 C153576 [1,0,0,0,0,1|2,0,0]=4 732 B9R1.8 CC=CC1=CC=CC=C1 M136687 [1,0,0,0,0,1|2,0,0]=4 733 B9R1.8 CC=CC1=CC=CC=C1 T134052 [1,0,0,0,0,1|2,0,0]=4 734 B9R1.8 CC=CC1=CC=CC=C1 T301941 [1,0,0,0,0,1|2,0,0]=4 735 B9R1.8 COCC1=CC=CC=C1 B103161 [1,0,0,0,0,1|1,0,1]=4 736 B9R1.8 COCC1=CC=CC=C1 B591251 [1,0,0,0,0,1|1,0,1]=4 737 B11R1.40 CCC(=O)CC1=CC=CC=C1 P160130 [0,0,0,0,0,2|2,0,0]=4 738 B11R1.40 CCC(=O)NC1=CC=CC=C1 N136678 [0,0,0,0,0,2|2,0,0]=4 739 B11R1.40 CCC(=O)OC1=CC=CC=C1 P304243 [0,0,0,0,0,2|2,0,0]=4 740 B11R1.40 CNC(=O)OC1=CC=CC=C1 P587924 [0,0,0,0,0,2|2,0,0]=4 741 B11R1.40 COC(=O)CC1=CC=CC=C1 M106997 [0,0,0,0,0,2|1,0,0]=3 742 B11R1.40 COC(=O)CC1=CC=CC=N1 M131920 [0,0,0,0,0,2|1,0,0]=3 743 B11R1.40 COC(=O)CC1=CC=NC=C1 M349198 [0,0,0,0,0,2|1,0,0]=3 744 B11R1.40 COC(=O)CC1=NC=CN=C1 M193037 [0,0,0,0,0,2|1,0,0]=3 745 B11R1.40 COC(=O)NC1=CC=CC=C1 N189095 [0,0,0,0,0,2|1,0,0]=3 746 B11R1.40 COC(=O)OC1=CC=CC=C1 M302459 [0,0,0,0,0,2|1,0,0]=3 747 B11R1.25 CCC(=O)SCC1=CC=CO1 F464899 [0,0,0,0,0,2|1,0,0]=3 748 B11R1.25 CCC(=O)SCC1=CC=CO1 S161331 [0,0,0,0,0,2|1,0,0]=3