0 B5R0.1 CC#CC(C)C M157953 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|1,1,2]=4 8 B5R0.1 CC(C)CC#C M157952 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)CC#N I137312 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|1,1,1]=3 12 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.1 CC(C)CCBr I109279 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CC(C)CCCl C105682 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CC(C)CCI I100674 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CC(C)CCN I109581 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CC(C)CCN I404590 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CC(C)CCO M116196 [0,0,0,0,0,0|1,1,1]=3 19 B5R0.1 CC(C)CCO M116197 [0,0,0,0,0,0|1,1,1]=3 20 B5R0.1 CC(C)CCO M116198 [0,0,0,0,0,0|1,1,1]=3 21 B5R0.1 CC(C)CCO M116200 [0,0,0,0,0,0|1,1,1]=3 22 B5R0.1 CC(C)CCO M116201 [0,0,0,0,0,0|1,1,1]=3 23 B5R0.1 CC(C)CCO M119838 [0,0,0,0,0,0|1,1,1]=3 24 B5R0.1 CC(C)CCS M101609 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 CC(C)CNN I588327 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 CC(C)C[Zn]Br I465880 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 CC(C)N=C=S I138525 [0,0,0,0,0,0|0,0,0]=0 28 B5R0.1 CC(C)OC=O I112304 [0,0,0,0,0,0|1,1,1]=3 29 B5R0.1 CC(C)OCCl C189120 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CC(C)SC#N I349763 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CC(CC#C)O P160660 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CC(CCBr)Br D155315 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CC(CCBr)O B589640 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CC(CCCl)Cl D155308 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CC(CCO)N A123608 [0,0,0,0,0,0|2,1,1]=4 39 B5R0.1 CC(CCO)N A183438 [0,0,0,0,0,0|2,1,1]=4 40 B5R0.1 CC(CCO)N S176942 [0,0,0,0,0,0|2,1,1]=4 41 B5R0.1 CC(CCO)O B111016 [0,0,0,0,0,0|2,1,1]=4 42 B5R0.1 CC(CCO)O B111017 [0,0,0,0,0,0|2,1,1]=4 43 B5R0.1 CC(CCO)O B111018 [0,0,0,0,0,0|2,1,1]=4 44 B5R0.1 CC(CCO)O B119672 [0,0,0,0,0,0|2,1,1]=4 45 B5R0.1 CC(CCO)O R160960 [0,0,0,0,0,0|2,1,1]=4 46 B5R0.1 CC(CCO)O S138551 [0,0,0,0,0,0|2,1,1]=4 47 B5R0.1 CC(CNC)O M587581 [0,0,0,0,0,0|4,0,0]=4 48 B5R0.1 CC(COC)N M169973 [0,0,0,0,0,0|4,0,0]=4 49 B5R0.1 CC(COC)N S475332 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.1 CC(COC)N S586466 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.1 CC(COC)O M105264 [0,0,0,0,0,0|4,0,0]=4 52 B5R0.1 CC(COC)O M105265 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 CC(COC)O M105266 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CC(COC)O M299436 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 CC(COC)O R160841 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.1 CC(COC)O S161357 [0,0,0,0,0,0|4,0,0]=4 57 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|2,0,1]=3 59 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CCCC(C)Br B400517 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CCCC(C)C I157548 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.1 CCCC(C)C M105775 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.1 CCCC(C)C M105776 [0,0,0,0,0,0|2,0,1]=3 64 B5R0.1 CCCC(C)C M105777 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CCCC(C)C M105778 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CCCC(C)C M137744 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CCCC(C)Cl C467357 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 CCCC(C)N A151353 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CCCC(C)O P103442 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 CCCC(C)O P103443 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CCCC(C)O R138651 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 CCCC(C)O S138580 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CCCN(C)C N404354 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 CCNC(C)C N159098 [0,0,0,0,0,0|1,0,2]=3 75 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|2,1,1]=4 76 B5R0.1 CN(C)CC#C N159655 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|3,0,1]=4 78 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|2,1,1]=4 79 B5R0.1 CN(C)CCBr B183437 [0,0,0,0,0,0|3,0,1]=4 80 B5R0.1 CN(C)CCN D105347 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CN(C)CCN N404297 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 CN(C)CCN N404298 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.1 CN(C)CCO D109078 [0,0,0,0,0,0|2,1,1]=4 84 B5R0.1 CN(C)CCO D109079 [0,0,0,0,0,0|2,1,1]=4 85 B5R0.1 CN(C)CCO D109080 [0,0,0,0,0,0|2,1,1]=4 86 B4R0.1 B(=S(C)C)Cl C300429 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 CC(=NN)N A193172 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|0,1,1]=3 91 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|1,1,1]=4 92 B4R0.1 CC(C#C)Br B476941 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CC(C#C)N B589081 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CC(C#C)O B106248 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 CC(C#C)O B301756 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CC(C#C)O R160842 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CC(C#C)O S161362 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 CC(C#N)Br B168276 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 CC(C#N)Cl C122640 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CC(C#N)N A186242 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|0,1,1]=3 103 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|0,1,1]=3 104 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|0,1,1]=3 105 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|0,1,1]=3 115 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|0,1,1]=3 116 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|0,1,1]=3 117 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|0,1,1]=3 118 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|0,1,1]=3 119 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|0,1,1]=3 120 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|0,1,1]=3 121 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|0,1,1]=3 122 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|0,0,2]=3 123 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|0,0,2]=3 124 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|0,1,1]=3 126 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,1,1]=4 149 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,1,1]=4 150 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,1,1]=4 151 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,1,1]=4 152 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|1,1,1]=4 153 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|1,1,1]=4 154 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|1,1,1]=4 155 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|1,1,1]=4 156 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|1,1,1]=4 157 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|1,1,1]=4 158 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|1,1,1]=4 159 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|1,1,1]=4 176 B4R0.1 CN(C)C#N D154667 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|1,1,1]=4 178 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|1,1,1]=4 179 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|1,1,1]=4 180 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|1,1,1]=4 181 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|1,1,1]=4 182 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|1,1,1]=4 183 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|1,1,1]=4 184 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|1,1,1]=4 185 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|1,1,1]=4 186 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|1,1,1]=4 187 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|1,1,1]=4 188 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|1,1,1]=4 189 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|1,1,1]=4 190 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|1,0,1]=3 191 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|1,0,1]=3 192 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|1,1,0]=3 193 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|1,1,0]=3 194 B4R0.1 CN=[N+](C)[O-] A169090 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|1,1,1]=4 197 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|2,0,0]=3 199 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|1,1,1]=4 200 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|1,1,1]=4 201 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|1,1,1]=4 202 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|2,0,1]=4 205 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|2,0,1]=4 215 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|2,0,1]=4 221 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|1,1,1]=4 225 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|1,1,1]=4 226 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|1,1,1]=4 227 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|1,1,1]=4 228 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|1,1,1]=4 229 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|1,1,1]=4 230 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|1,1,1]=4 231 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|1,1,1]=4 232 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|1,1,1]=4 233 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|1,1,1]=4 234 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|1,1,1]=4 235 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|1,1,1]=4 236 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|1,1,1]=4 237 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|1,1,1]=4 238 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|1,0,2]=4 239 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|1,0,2]=4 240 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|1,1,1]=4 243 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|1,1,1]=4 244 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|1,1,1]=4 245 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|1,1,1]=4 246 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|1,1,1]=4 247 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|1,1,1]=4 248 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|3,0,0]=4 249 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|3,0,0]=4 250 B4R0.2 CCN=C=S E140613 [1,0,0,0,0,0|0,0,0]=1 251 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|0,1,2]=4 252 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|1,0,2]=4 253 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|1,0,2]=4 254 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|1,0,2]=4 255 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|1,0,2]=4 256 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|1,0,2]=4 257 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|1,0,2]=4 258 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|1,0,2]=4 259 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|1,0,2]=4 260 B4R0.2 CCOC#C E113364 [1,0,0,0,0,0|2,0,1]=4 261 B4R0.2 CCOC#C E579852 [1,0,0,0,0,0|2,0,1]=4 262 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|1,1,1]=4 264 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|1,1,1]=4 265 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|1,1,1]=4 266 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|1,1,1]=4 267 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|1,1,1]=4 268 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|2,0,1]=4 270 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|2,0,1]=4 271 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|2,0,1]=4 272 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.2 CCSC#N E156402 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|2,0,1]=4 280 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|1,0,2]=4 281 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|1,1,1]=4 283 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|1,1,1]=4 284 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.1 CCC(C)N=C=S B140604 [0,1,0,0,0,0|0,0,0]=1 286 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.2 B(CC(C)C)(O)O M120307 [0,1,0,0,0,0|2,1,0]=4 290 B6R0.2 B(CC(C)C)(O)O M299536 [0,1,0,0,0,0|2,1,0]=4 291 B6R0.2 CC(C)C=C(C)C D155423 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|1,1,1]=4 293 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|1,1,1]=4 294 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|1,1,1]=4 295 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|1,1,1]=4 296 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|1,1,1]=4 297 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|1,1,1]=4 298 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,0,0,0,0|1,1,1]=4 299 B6R0.2 CC(C)CC(=O)O I108280 [0,1,0,0,0,0|1,1,1]=4 300 B6R0.2 CC(C)CC(=O)O I108281 [0,1,0,0,0,0|1,1,1]=4 301 B6R0.2 CC(C)CC(=O)O I424338 [0,1,0,0,0,0|1,1,1]=4 302 B6R0.2 CC(C)CC(=O)O I432771 [0,1,0,0,0,0|1,1,1]=4 303 B6R0.2 CC(C)CC(C)C D155236 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.2 CC(C)CC(C)N D154510 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.2 CC(C)CC(C)O M104491 [0,1,0,0,0,0|1,1,1]=4 306 B6R0.2 CC(C)NC(=O)C N586389 [0,1,0,0,0,0|0,1,2]=4 307 B6R0.2 CC(C)NC(C)C D108297 [0,1,0,0,0,0|1,0,2]=4 308 B6R0.2 CC(C)NC(C)C D108298 [0,1,0,0,0,0|1,0,2]=4 309 B6R0.2 CC(C)NC(C)C D108299 [0,1,0,0,0,0|1,0,2]=4 310 B6R0.2 CC(C)NC(C)C D108300 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.2 CC(C)NC(C)C D108301 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.2 CC(C)NC(C)C D135665 [0,1,0,0,0,0|1,0,2]=4 313 B6R0.2 CC(C)NC(C)C D154669 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.2 CC(C)NC(C)C D399268 [0,1,0,0,0,0|1,0,2]=4 315 B6R0.2 CC(C)NC(C)C D404340 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.2 CC(C)NC(C)C D494183 [0,1,0,0,0,0|1,0,2]=4 317 B6R0.2 CC(C)OC(=O)C I103453 [0,1,0,0,0,0|1,1,1]=4 318 B6R0.2 CC(C)OC(=O)C I103454 [0,1,0,0,0,0|1,1,1]=4 319 B6R0.2 CC(C)OC(=O)C I103455 [0,1,0,0,0,0|1,1,1]=4 320 B6R0.2 CC(C)OC(=O)N I157610 [0,1,0,0,0,0|1,1,1]=4 321 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.2 CC(C)OC(C)C I110454 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.2 CC(C)OC(C)C I110455 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.2 CC(C)OC(C)C I110457 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.2 CC(C)OC(C)C I110458 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.2 CC(C)OC(C)C I119694 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [0,1,0,0,0,0|2,1,0]=4 328 B6R0.2 CC(C)SC(C)C I157604 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.3 CC(C)C(=O)OC M100041 [0,1,0,0,0,0|3,0,0]=4 330 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|1,1,1]=4 331 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|1,1,1]=4 332 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|1,1,1]=4 333 B6R0.3 CC=C(C)C(C)C C153480 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.4 C=C(CN=C=S)Cl C167243 [0,1,0,0,0,0|1,0,2]=4 339 B6R0.4 CC(C)CCC#N I157667 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.4 CC(C)CCC=O M586390 [0,1,0,0,0,0|1,1,1]=4 341 B6R0.4 CC(C)CCCBr B152440 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.4 CC(C)CCCO I136441 [0,1,0,0,0,0|1,1,1]=4 343 B6R0.4 CC(C)CN=C=S I140612 [0,1,0,0,0,0|0,0,0]=1 344 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|1,1,1]=4 347 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|1,1,1]=4 348 B6R0.4 CC(C)CON=O I157486 [0,1,0,0,0,0|2,1,0]=4 349 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|1,0,2]=4 350 B6R0.4 CC(C)NCCN N159348 [0,1,0,0,0,0|1,0,2]=4 351 B6R0.4 CC(C)NCCO I157482 [0,1,0,0,0,0|0,1,2]=4 352 B6R0.4 CC(C)NCCO I431393 [0,1,0,0,0,0|0,1,2]=4 353 B6R0.4 CC(C)OCCO I106814 [0,1,0,0,0,0|1,1,1]=4 354 B6R0.4 CCCCC(C)C M158516 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.4 CCCSC(C)C I157608 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.5 CC(C)(C)CC=O D133103 [0,1,0,0,0,0|1,1,1]=4 357 B6R0.5 CC(C)(C)CCBr B405387 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.5 CC(C)(C)CCN D468789 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.5 CC(C)(C)CCO D139098 [0,1,0,0,0,0|1,1,1]=4 360 B6R0.5 CC(C)(C)N=C=S B101363 [0,1,0,0,0,0|0,0,0]=1 361 B6R0.5 CC(C)(C)NC=O N159292 [0,1,0,0,0,0|0,1,2]=4 362 B6R0.5 CC(C)(C)OC=C T139444 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.5 CC(C)(C)OC=O T341498 [0,1,0,0,0,0|1,1,1]=4 364 B6R0.5 CC(C)(C)ON=O B106794 [0,1,0,0,0,0|2,1,0]=4 365 B6R0.5 CC(C)(CC#N)O H167089 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.5 CC(C)(CCN)O A483316 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.5 CC(C)(CCO)O M106425 [0,1,0,0,0,0|1,1,1]=4 368 B6R0.5 CC(C)(CCO)S M138699 [0,1,0,0,0,0|1,1,1]=4 369 B6R0.5 CC(C)(CSC)N M588894 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.5 CCCC(C)(C)C D106287 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.5 CCOC(C)(C)C B108911 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.5 CCOC(C)(C)C B108912 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.5 C[Si](C)(C)N=C=O T162529 [0,1,0,0,0,0|0,2,0]=3 374 B6R0.5 C[Si](C)(C)N=C=O T466834 [0,1,0,0,0,0|0,2,0]=3 375 B6R0.5 C[Si](C)(C)N=C=S T350253 [0,1,0,0,0,0|0,1,0]=2 376 B6R0.5 C[Si](C)(C)N=[N+]=[N-] T107307 [0,1,0,0,0,0|2,1,0]=4 377 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|1,0,2]=4 378 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|2,0,1]=4 379 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|2,0,1]=4 380 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|2,0,1]=4 381 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|1,0,2]=4 382 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|1,0,2]=4 383 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|1,0,2]=4 384 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|1,0,2]=4 385 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|2,0,1]=4 386 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|2,0,1]=4 387 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|2,0,1]=4 388 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|2,0,1]=4 389 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|2,0,1]=4 390 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|2,0,1]=4 391 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|1,1,1]=4 392 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|1,1,1]=4 393 B6R1.3 C1CC1CC#N C339744 [0,0,0,1,0,0|2,0,1]=4 394 B6R1.3 C1CC1CCI I176162 [0,0,0,1,0,0|2,0,1]=4 395 B6R1.3 C1CC1CON O194839 [0,0,0,1,0,0|3,0,0]=4 396 B6R1.3 C1CC1N=C=O I184669 [0,0,0,1,0,0|0,1,0]=2 397 B6R1.3 C1CC1N=C=S C140532 [0,0,0,1,0,0|0,0,0]=1 398 B6R1.5 CC1CC(=O)O1 B152852 [0,0,0,1,0,0|1,1,1]=4 399 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|0,1,1]=4 400 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,1,1]=4 401 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,1,1]=4 402 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,1]=4 408 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,1]=4 409 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,1]=4 415 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,1,1]=4 417 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,1,1]=4 418 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,1,1]=4 419 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,1,1]=4 420 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,1,1]=4 421 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,1,1]=4 422 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,1,1]=4 423 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,1,1]=4 424 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,1,1]=4 425 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,0,2]=4 426 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,0,2]=4 427 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,1,1]=4 433 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,1,1]=4 434 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,0,2]=4 435 B3R0.1 CCNO N193370 [2,0,0,0,0,0|0,1,1]=4 436 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 437 B3R0.1 CCSC E140654 [2,0,0,0,0,0|1,0,1]=4 438 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|1,0,1]=4 439 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|0,0,2]=4 440 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|0,0,2]=4 441 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|0,0,2]=4 442 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|0,0,2]=4 443 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|0,0,2]=4 444 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|0,0,2]=4 445 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|0,0,2]=4 446 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|0,0,2]=4 447 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|0,0,2]=4 448 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|0,0,2]=4 449 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|0,0,2]=4 450 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|0,0,2]=4 451 B3R0.2 CC(=N)N A107218 [2,0,0,0,0,0|1,0,1]=4 452 B3R0.2 CC(=N)N A151335 [2,0,0,0,0,0|1,0,1]=4 453 B3R0.2 CC(=N)N A405649 [2,0,0,0,0,0|1,0,1]=4 454 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,1,1]=4 455 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,1,1]=4 456 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,1,1]=4 457 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,1,1]=4 458 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,1,1]=4 459 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,1,1]=4 460 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,1,1]=4 461 B3R0.2 CC(=S)N T104039 [2,0,0,0,0,0|1,0,1]=4 462 B3R0.2 CC(=S)N T118452 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.2 CC(=S)N T425171 [2,0,0,0,0,0|1,0,1]=4 464 B3R0.2 CC(=S)[O-] P106179 [2,0,0,0,0,0|1,0,1]=4 465 B3R0.2 CC(Br)Br D155317 [2,0,0,0,0,0|2,0,0]=4 466 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,0]=3 467 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,0]=3 468 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,0]=3 469 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,0]=3 470 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,0]=3 471 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|0,0,1]=3 472 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|0,0,1]=3 473 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|0,0,1]=3 474 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|0,0,1]=3 475 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|0,0,1]=3 476 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,1,0]=3 477 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,1,0]=3 478 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,1,0]=3 479 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,1,0]=3 480 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,1,0]=3 481 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,1,0]=3 482 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,1,0]=3 483 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,1,0]=3 484 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,1,0]=3 485 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,1,0]=3 486 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,1,0]=3 487 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,1,0]=3 488 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,1,0]=3 489 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,1,0]=3 490 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,1,0]=3 491 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,1,0]=3 492 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,1,0]=3 493 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,0,1]=3 494 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|0,0,1]=3 495 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,1,0]=3 496 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,1,0]=3 497 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,1,0]=3 498 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,1,0]=3 499 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,1,0]=3 500 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,1,0]=3 501 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,1,0]=3 502 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,1,0]=3 503 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,1,0]=3 504 B3R0.2 CC(Cl)Cl D119825 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.2 CC(Cl)Cl D128120 [2,0,0,0,0,0|2,0,0]=4 506 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|1,0,1]=4 509 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|1,0,1]=4 510 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|1,0,1]=4 511 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|1,0,1]=4 512 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|1,0,1]=4 513 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|1,0,1]=4 514 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,1,0]=4 515 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,1,0]=4 516 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,1,0]=4 517 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,1,0]=4 518 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,1,0]=4 519 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,1,0]=4 520 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,1,0]=4 521 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,1,0]=4 522 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,1,0]=4 523 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,1,0]=4 524 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,1,0]=4 525 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,1,0]=4 526 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,1,0]=4 527 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,1,0]=4 528 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,1,0]=4 529 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,1,0]=4 530 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,1,0]=4 531 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,1,0]=4 532 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,1,0]=4 533 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,1,0]=4 534 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 535 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|0,0,2]=4 536 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|0,0,2]=4 537 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|1,0,1]=4 538 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,1,0]=4 539 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 540 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|1,0,1]=4 541 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|1,0,1]=4 542 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|1,0,1]=4 543 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,2,0]=4 544 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|1,0,1]=4 545 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|1,0,1]=4 546 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|1,0,1]=4 547 B5R0.3 CC(CN)CO A483603 [1,1,0,0,0,0|0,1,1]=4 548 B5R0.3 CC(CO)CBr R469876 [1,1,0,0,0,0|0,1,1]=4 549 B5R0.3 CC(CO)CBr S469920 [1,1,0,0,0,0|0,1,1]=4 550 B5R0.3 CC(CO)CO M141411 [1,1,0,0,0,0|0,1,1]=4 551 B5R0.3 CC(CO)OC R194193 [1,1,0,0,0,0|0,1,1]=4 552 B5R0.3 CC(OC)OC D155919 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.3 CCC(=NO)C B105233 [1,1,0,0,0,0|0,1,1]=4 554 B5R0.3 CCC(C)C#N M158304 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|1,0,1]=4 556 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|0,1,1]=4 557 B5R0.3 CCC(C)CBr B120302 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.3 CCC(C)CBr B188983 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.3 CCC(C)CC M109051 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.3 CCC(C)CC M109052 [1,1,0,0,0,0|1,0,1]=4 561 B5R0.3 CCC(C)CCl C153548 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.3 CCC(C)CCl S160982 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.3 CCC(C)CI I157547 [1,1,0,0,0,0|1,0,1]=4 564 B5R0.3 CCC(C)CN S467250 [1,1,0,0,0,0|1,0,1]=4 565 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|0,1,1]=4 566 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|0,1,1]=4 567 B5R0.3 CCC(C)CS M103069 [1,1,0,0,0,0|0,0,2]=4 568 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.3 CCN(C)N=O N114391 [1,1,0,0,0,0|1,1,0]=4 570 B5R0.4 CC(C)(C#C)Cl W132347 [1,1,0,0,0,0|1,0,1]=4 571 B5R0.4 CC(C)(C#C)N M138627 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.4 CC(C)(C#C)O M107736 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.4 CC(C)(C#N)I I157654 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.4 CC(C)(C#N)N A184859 [1,1,0,0,0,0|1,0,1]=4 575 B5R0.4 CC(C)(C)C#N P160477 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|0,1,1]=4 578 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|0,1,1]=4 579 B5R0.4 CC(C)(C)CBr B472553 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.4 CC(C)(C)CN D191210 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.4 CC(C)(C)CN N159082 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|0,1,1]=4 583 B5R0.4 CC(C)(C)N=[Ta] T283059 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.4 CC(C)(C)NC N339191 [1,1,0,0,0,0|0,0,2]=4 585 B5R0.4 CC(C)(C)NN I135282 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|0,1,1]=4 587 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|0,1,1]=4 588 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|0,1,1]=4 589 B5R0.4 CC(C)(C)OC B108113 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.4 CC(C)(C)OC B108114 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.4 CC(C)(C)OC B108115 [1,1,0,0,0,0|1,0,1]=4 592 B5R0.4 CC(C)(C)OC B108116 [1,1,0,0,0,0|1,0,1]=4 593 B5R0.4 CC(C)(C)OC B108117 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.4 CC(C)(C)OC B108119 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.4 CC(C)(C)OC B108120 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.4 CC(C)(C)OC B108121 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.4 CC(C)(C)OC B119671 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.4 CC(C)(C)OC T432179 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.4 CC(C)(C)ON O135125 [1,1,0,0,0,0|2,0,0]=4 600 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|1,1,0]=4 601 B5R0.4 CC(C)(C)[N+]#[C-] B106836 [1,1,0,0,0,0|0,0,2]=4 602 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.4 CC(C)(CBr)Br D472522 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|1,0,1]=4 605 B5R0.4 CC(C)(CCl)Cl D589600 [1,1,0,0,0,0|1,0,1]=4 606 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.4 CC(C)(CN)N D155077 [1,1,0,0,0,0|1,0,1]=4 608 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|0,1,1]=4 610 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|0,1,1]=4 611 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|0,1,1]=4 612 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|0,1,1]=4 613 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|1,0,1]=4 614 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|1,0,1]=4 616 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|1,0,1]=4 624 B5R0.5 B(C(C)C)(O)O I120299 [1,1,0,0,0,0|1,1,0]=4 625 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.5 CC(C)C(=N)N I335550 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,1,1]=4 629 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,1,1]=4 630 B5R0.5 CC(C)C(=O)Cl I107549 [1,1,0,0,0,0|0,1,1]=4 631 B5R0.5 CC(C)C(=O)N I157612 [1,1,0,0,0,0|0,1,1]=4 632 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|0,1,1]=4 633 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|0,1,1]=4 634 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|0,1,1]=4 635 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|0,1,1]=4 636 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|0,1,1]=4 637 B5R0.5 CC(C)C(=O)[O-] P160181 [1,1,0,0,0,0|0,1,1]=4 638 B5R0.5 CC(C)C(=S)N T140153 [1,1,0,0,0,0|0,0,1]=3 639 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|1,0,1]=4 640 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|1,0,1]=4 641 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|1,0,1]=4 642 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|1,0,1]=4 643 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|0,1,1]=4 645 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|0,0,2]=4 646 B5R0.5 CC(C)N(C)C N159099 [1,1,0,0,0,0|0,0,2]=4 647 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,1,0,0,0,0|0,1,1]=4 648 B5R0.5 CC(C)[Si](C)C D356950 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.5 CN(C)C(=S)Cl N135547 [1,1,0,0,0,0|1,0,1]=4 650 B5R0.5 CN(C)C(=S)S D154695 [1,1,0,0,0,0|1,0,1]=4 651 B5R0.5 CN(C)C(=S)[S-] C154089 [1,1,0,0,0,0|1,0,1]=4 652 B5R0.5 CN(C)C(=S)[S-] F114609 [1,1,0,0,0,0|1,0,1]=4 653 B5R0.5 CN(C)C(=S)[S-] F137780 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.5 CN(C)C(=S)[S-] S106280 [1,1,0,0,0,0|1,0,1]=4 655 B5R0.5 CN(C)C(=S)[S-] Z162995 [1,1,0,0,0,0|1,0,1]=4 656 B5R0.2 C#CCN=C=S P347824 [1,1,0,0,0,0|0,0,1]=3 657 B5R0.2 C(CBr)N=C=O B463144 [1,1,0,0,0,0|0,1,0]=3 658 B5R0.2 C(CCl)N=C=O C106493 [1,1,0,0,0,0|0,1,0]=3 659 B5R0.2 C(CCl)N=C=S C153806 [1,1,0,0,0,0|0,0,0]=2 660 B5R0.2 C(CO)N=[N+]=[N-] A302966 [1,1,0,0,0,0|2,0,0]=4 661 B5R0.2 C=CCN=C=O A167384 [1,1,0,0,0,0|0,1,1]=4 662 B5R0.2 C=CCN=C=S A477314 [1,1,0,0,0,0|0,0,1]=3 663 B5R0.2 CCCN=C=S P140610 [1,1,0,0,0,0|0,0,0]=2 664 B7R0.2 CC(C)NC(=S)NN I405745 [0,2,0,0,0,0|0,0,2]=4 665 B7R0.7 CCOC(=O)N=C=S E123540 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.7 CCOC(=O)N=C=S E638552 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.6 CC(=NNC(=S)N)C A151291 [0,2,0,0,0,0|0,0,2]=4 668 B7R0.8 CC(C)(C)ON=S=O T405132 [0,2,0,0,0,0|1,1,0]=4 669 B5R1.3 C#CC1CC1 C108075 [1,0,0,1,0,0|1,0,1]=4 670 B5R1.3 C1CC1C#N C153826 [1,0,0,1,0,0|1,0,1]=4 671 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|0,1,1]=4 672 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|1,0,1]=4 673 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|1,0,1]=4 674 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|1,0,1]=4 675 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|1,0,1]=4 676 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|1,0,1]=4 677 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|0,1,1]=4 678 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|0,1,1]=4 679 B5R1.3 CNC1CC1 N177134 [1,0,0,1,0,0|0,0,2]=4 680 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|0,1,1]=4 681 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|0,0,2]=4 682 B7R1.2 CC1CNC(=S)N1 N132557 [0,1,0,1,0,0|0,0,2]=4 683 B7R1.14 CC1(COC=N1)C D155260 [0,1,0,1,0,0|0,1,1]=4