0 B4R0.1 B(=S(C)C)Cl C300429 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 B(CC)(O)O E120272 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C#CC(=O)O P109569 [0,0,0,0,0,0|1,0,3]=4 3 B4R0.1 C(#N)C(Br)Br D303447 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C(#N)C(Br)Br D303448 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C(#N)C(Cl)Cl D110115 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C(#N)C(Cl)Cl D110116 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C(#N)C(Cl)Cl D110117 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(=O)C(=O)O G108309 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 C(=O)C(=O)O G169372 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 C(C(=N)N)Cl C165534 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 C(C(=N)N)N A133988 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C(C(=O)Br)Br B106897 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 C(C(=O)Cl)Br B137113 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.1 C(C(=O)N)Br B139173 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 C(C(=O)N)Cl C106072 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 C(C(=O)N)I I105563 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C(C(=O)N)I I131590 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C(C(=O)N)I I421630 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C(C(=O)N)N G106202 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 C(C(=O)N)N G185482 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C(C(=O)N)O G102639 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 C(C(=O)O)Br B108523 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C(C(=O)O)Br B108524 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 C(C(=O)O)Br B108525 [0,0,0,0,0,0|2,0,1]=3 25 B4R0.1 C(C(=O)O)Br B355164 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 C(C(=O)O)Br B434194 [0,0,0,0,0,0|2,0,1]=3 27 B4R0.1 C(C(=O)O)Cl C485697 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 C(C(=O)O)I I104613 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C(C(=O)O)N A110749 [0,0,0,0,0,0|2,0,1]=3 30 B4R0.1 C(C(=O)O)N A110750 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 C(C(=O)O)N A110751 [0,0,0,0,0,0|2,0,1]=3 32 B4R0.1 C(C(=O)O)N A110752 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.1 C(C(=O)O)N A111465 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 C(C(=O)O)N A124751 [0,0,0,0,0,0|2,0,1]=3 35 B4R0.1 C(C(=O)O)N A124757 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.1 C(C(=O)O)N A298706 [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 C(C(=O)O)N B190646 [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 C(C(=O)O)N B573462 [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 C(C(=O)O)N G110174 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 C(C(=O)O)N G119904 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 C(C(=O)O)N G133060 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 C(C(=O)O)N G156794 [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 C(C(=O)O)N G156795 [0,0,0,0,0,0|2,0,1]=3 44 B4R0.1 C(C(=O)O)N G432934 [0,0,0,0,0,0|2,0,1]=3 45 B4R0.1 C(C(=O)O)N G432935 [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 C(C(=O)O)N G471905 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 C(C(=O)O)N G472098 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.1 C(C(=O)O)O G104191 [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 C(C(=O)O)O G104193 [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 C(C(=O)O)O G425976 [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 C(C(=O)O)O G434198 [0,0,0,0,0,0|2,0,1]=3 52 B4R0.1 C(C(=O)O)O G591002 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 C(C(=O)O)O N129652 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 C(C(=O)O)O N427119 [0,0,0,0,0,0|2,0,1]=3 55 B4R0.1 C(C(=O)O)O P136309 [0,0,0,0,0,0|2,0,1]=3 56 B4R0.1 C(C(=O)O)O P477164 [0,0,0,0,0,0|2,0,1]=3 57 B4R0.1 C(C(=O)O)S T104998 [0,0,0,0,0,0|2,0,1]=3 58 B4R0.1 C(C(=O)O)S T105002 [0,0,0,0,0,0|2,0,1]=3 59 B4R0.1 C(C(=O)O)S T501446 [0,0,0,0,0,0|2,0,1]=3 60 B4R0.1 C(C(=O)[O-])Br S124697 [0,0,0,0,0,0|2,0,2]=4 61 B4R0.1 C(C(=O)[O-])Cl S108371 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 C(C(=O)[O-])I S104897 [0,0,0,0,0,0|2,0,2]=4 63 B4R0.1 C(C(=O)[O-])N F302712 [0,0,0,0,0,0|2,0,2]=4 64 B4R0.1 C(C(=O)[O-])N G104214 [0,0,0,0,0,0|2,0,2]=4 65 B4R0.1 C(C(=O)[O-])N G156806 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.1 C(C(=O)[O-])N G168473 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 C(C(=O)[O-])N M302926 [0,0,0,0,0,0|2,0,2]=4 68 B4R0.1 C(C(=O)[O-])O C154022 [0,0,0,0,0,0|2,0,2]=4 69 B4R0.1 C(C(=O)[O-])O C347797 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 C(C(=O)[O-])O S102872 [0,0,0,0,0,0|2,0,2]=4 71 B4R0.1 C(C(=O)[O-])S A109096 [0,0,0,0,0,0|2,0,2]=4 72 B4R0.1 C(C(=O)[O-])S C154034 [0,0,0,0,0,0|2,0,2]=4 73 B4R0.1 C(C(=O)[O-])S S105664 [0,0,0,0,0,0|2,0,2]=4 74 B4R0.1 C(C(Br)Br)Br T162280 [0,0,0,0,0,0|3,0,0]=3 75 B4R0.1 C(C(Cl)Cl)Cl T110587 [0,0,0,0,0,0|3,0,0]=3 76 B4R0.1 C(C(Cl)Cl)Cl T110588 [0,0,0,0,0,0|3,0,0]=3 77 B4R0.1 C(C(Cl)Cl)Cl T110590 [0,0,0,0,0,0|3,0,0]=3 78 B4R0.1 C(C(Cl)Cl)Cl T110591 [0,0,0,0,0,0|3,0,0]=3 79 B4R0.1 C(C(Cl)Cl)O D472528 [0,0,0,0,0,0|3,0,0]=3 80 B4R0.1 C(C(F)F)I I185481 [0,0,0,0,0,0|3,0,0]=3 81 B4R0.1 C(C(F)F)N D155259 [0,0,0,0,0,0|3,0,0]=3 82 B4R0.1 C(C(F)F)O D102785 [0,0,0,0,0,0|3,0,0]=3 83 B4R0.1 C(O)S(=O)[O-] R110955 [0,0,0,0,0,0|3,0,1]=4 84 B4R0.1 C([N+](=O)[O-])Br B113246 [0,0,0,0,0,0|3,0,1]=4 85 B4R0.1 C=C(CBr)Br D113566 [0,0,0,0,0,0|2,0,2]=4 86 B4R0.1 C=C(CBr)Br D113567 [0,0,0,0,0,0|2,0,2]=4 87 B4R0.1 C=C(CCl)Cl D154468 [0,0,0,0,0,0|2,0,2]=4 88 B4R0.1 C=C(CO)Br B352406 [0,0,0,0,0,0|2,0,2]=4 89 B4R0.1 C=C(CO)Cl C171127 [0,0,0,0,0,0|2,0,2]=4 90 B4R0.1 C=CC(=O)O A103525 [0,0,0,0,0,0|1,0,3]=4 91 B4R0.1 C=CC(=O)O A103526 [0,0,0,0,0,0|1,0,3]=4 92 B4R0.1 C=CC(=O)O A397753 [0,0,0,0,0,0|1,0,3]=4 93 B4R0.1 C=CC(=O)O A434196 [0,0,0,0,0,0|1,0,3]=4 94 B4R0.1 C=CC(=O)O A615488 [0,0,0,0,0,0|1,0,3]=4 95 B4R0.1 C=CC(=O)O P104270 [0,0,0,0,0,0|1,0,3]=4 96 B4R0.1 C=CC(=O)O P104272 [0,0,0,0,0,0|1,0,3]=4 97 B4R0.1 C=CC(=O)O P131657 [0,0,0,0,0,0|1,0,3]=4 98 B4R0.1 C=CC(=O)O P131658 [0,0,0,0,0,0|1,0,3]=4 99 B4R0.1 C=CC(=O)O P131659 [0,0,0,0,0,0|1,0,3]=4 100 B4R0.1 C=CC(=O)O P299190 [0,0,0,0,0,0|1,0,3]=4 101 B4R0.1 C=CC(=O)O P404949 [0,0,0,0,0,0|1,0,3]=4 102 B4R0.1 C=CC(=O)O P639633 [0,0,0,0,0,0|1,0,3]=4 103 B4R0.1 CC(=C)C#C M189215 [0,0,0,0,0,0|1,0,3]=4 104 B4R0.1 CC(=C)C=O M133597 [0,0,0,0,0,0|2,0,2]=4 105 B4R0.1 CC(=C)C=O M139714 [0,0,0,0,0,0|2,0,2]=4 106 B4R0.1 CC(=C)CBr B101577 [0,0,0,0,0,0|2,0,1]=3 107 B4R0.1 CC(=C)CCl C106528 [0,0,0,0,0,0|2,0,1]=3 108 B4R0.1 CC(=C)CN M158608 [0,0,0,0,0,0|2,0,1]=3 109 B4R0.1 CC(=C)CO M107570 [0,0,0,0,0,0|2,0,1]=3 110 B4R0.1 CC(=CBr)C B163037 [0,0,0,0,0,0|2,0,2]=4 111 B4R0.1 CC(=CCl)C C170698 [0,0,0,0,0,0|2,0,2]=4 112 B4R0.1 CC(=NN)N A193172 [0,0,0,0,0,0|3,0,1]=4 113 B4R0.1 CC(=NO)C A112746 [0,0,0,0,0,0|3,0,1]=4 114 B4R0.1 CC(=NO)N A151385 [0,0,0,0,0,0|3,0,1]=4 115 B4R0.1 CC(=O)C#C B101576 [0,0,0,0,0,0|0,0,4]=4 116 B4R0.1 CC(=O)C#N P466890 [0,0,0,0,0,0|1,0,3]=4 117 B4R0.1 CC(=O)C=O M109035 [0,0,0,0,0,0|1,0,3]=4 118 B4R0.1 CC(=O)C=O M109036 [0,0,0,0,0,0|1,0,3]=4 119 B4R0.1 CC(=O)CF F170335 [0,0,0,0,0,0|1,0,2]=3 120 B4R0.1 CC(=O)CN A186558 [0,0,0,0,0,0|1,0,2]=3 121 B4R0.1 CC(=O)CN A485063 [0,0,0,0,0,0|1,0,2]=3 122 B4R0.1 CC(=O)CO H111149 [0,0,0,0,0,0|1,0,2]=3 123 B4R0.1 CC(=O)NBr N159711 [0,0,0,0,0,0|2,0,2]=4 124 B4R0.1 CC(=O)NC M106450 [0,0,0,0,0,0|1,0,2]=3 125 B4R0.1 CC(=O)NN A151537 [0,0,0,0,0,0|2,0,2]=4 126 B4R0.1 CC(=O)NO A106239 [0,0,0,0,0,0|2,0,2]=4 127 B4R0.1 CC(=O)OC M103353 [0,0,0,0,0,0|1,0,2]=3 128 B4R0.1 CC(=O)OC M103354 [0,0,0,0,0,0|1,0,2]=3 129 B4R0.1 CC(=O)OC M103356 [0,0,0,0,0,0|1,0,2]=3 130 B4R0.1 CC(=O)OC M103357 [0,0,0,0,0,0|1,0,2]=3 131 B4R0.1 CC(=O)OC M103358 [0,0,0,0,0,0|1,0,2]=3 132 B4R0.1 CC(=O)OC M103359 [0,0,0,0,0,0|1,0,2]=3 133 B4R0.1 CC(=O)O[Al] A283286 [0,0,0,0,0,0|2,0,2]=4 134 B4R0.1 CC(=O)SC S161332 [0,0,0,0,0,0|1,0,2]=3 135 B4R0.1 CC(C#C)Br B476941 [0,0,0,0,0,0|1,0,2]=3 136 B4R0.1 CC(C#C)N B589081 [0,0,0,0,0,0|1,0,2]=3 137 B4R0.1 CC(C#C)O B106248 [0,0,0,0,0,0|0,0,2]=2 138 B4R0.1 CC(C#C)O B301756 [0,0,0,0,0,0|0,0,2]=2 139 B4R0.1 CC(C#C)O R160842 [0,0,0,0,0,0|0,0,2]=2 140 B4R0.1 CC(C#C)O S161362 [0,0,0,0,0,0|0,0,2]=2 141 B4R0.1 CC(C#N)Br B168276 [0,0,0,0,0,0|2,0,1]=3 142 B4R0.1 CC(C#N)Cl C122640 [0,0,0,0,0,0|2,0,1]=3 143 B4R0.1 CC(C#N)N A186242 [0,0,0,0,0,0|2,0,1]=3 144 B4R0.1 CC(C)C#N I475044 [0,0,0,0,0,0|2,0,1]=3 145 B4R0.1 CC(C)C=O I108291 [0,0,0,0,0,0|2,0,1]=3 146 B4R0.1 CC(C)C=O I108292 [0,0,0,0,0,0|2,0,1]=3 147 B4R0.1 CC(C)C=O I108293 [0,0,0,0,0,0|2,0,1]=3 148 B4R0.1 CC(C)CBr B105783 [0,0,0,0,0,0|2,0,0]=2 149 B4R0.1 CC(C)CCl C106087 [0,0,0,0,0,0|2,0,0]=2 150 B4R0.1 CC(C)CI F118498 [0,0,0,0,0,0|2,0,0]=2 151 B4R0.1 CC(C)CN I103753 [0,0,0,0,0,0|2,0,0]=2 152 B4R0.1 CC(C)CN I103755 [0,0,0,0,0,0|2,0,0]=2 153 B4R0.1 CC(C)CN I103759 [0,0,0,0,0,0|2,0,0]=2 154 B4R0.1 CC(C)CN I157488 [0,0,0,0,0,0|2,0,0]=2 155 B4R0.1 CC(C)CN I157494 [0,0,0,0,0,0|2,0,0]=2 156 B4R0.1 CC(C)CN I157655 [0,0,0,0,0,0|2,0,0]=2 157 B4R0.1 CC(C)CO M103311 [0,0,0,0,0,0|2,0,0]=2 158 B4R0.1 CC(C)CO M103312 [0,0,0,0,0,0|2,0,0]=2 159 B4R0.1 CC(C)CO M103313 [0,0,0,0,0,0|2,0,0]=2 160 B4R0.1 CC(C)CO M103314 [0,0,0,0,0,0|2,0,0]=2 161 B4R0.1 CC(C)CO M103315 [0,0,0,0,0,0|2,0,0]=2 162 B4R0.1 CC(C)CO M103316 [0,0,0,0,0,0|2,0,0]=2 163 B4R0.1 CC(C)CO M103317 [0,0,0,0,0,0|2,0,0]=2 164 B4R0.1 CC(C)CO M359227 [0,0,0,0,0,0|2,0,0]=2 165 B4R0.1 CC(C)CS M102325 [0,0,0,0,0,0|2,0,0]=2 166 B4R0.1 CC(C)NC I124664 [0,0,0,0,0,0|2,0,0]=2 167 B4R0.1 CC(C)NN I157577 [0,0,0,0,0,0|3,0,0]=3 168 B4R0.1 CC(C)NO N159552 [0,0,0,0,0,0|3,0,0]=3 169 B4R0.1 CC(C)SC I132403 [0,0,0,0,0,0|2,0,0]=2 170 B4R0.1 CC(C=C)Cl C163038 [0,0,0,0,0,0|1,0,2]=3 171 B4R0.1 CC(C=C)O B152755 [0,0,0,0,0,0|0,0,2]=2 172 B4R0.1 CC(CBr)Br D106539 [0,0,0,0,0,0|2,0,0]=2 173 B4R0.1 CC(CBr)O B152044 [0,0,0,0,0,0|1,0,0]=1 174 B4R0.1 CC(CCl)Cl D108186 [0,0,0,0,0,0|2,0,0]=2 175 B4R0.1 CC(CCl)Cl D108187 [0,0,0,0,0,0|2,0,0]=2 176 B4R0.1 CC(CCl)Cl D108188 [0,0,0,0,0,0|2,0,0]=2 177 B4R0.1 CC(CCl)Cl D128131 [0,0,0,0,0,0|2,0,0]=2 178 B4R0.1 CC(CCl)O C113556 [0,0,0,0,0,0|1,0,0]=1 179 B4R0.1 CC(CCl)O R191807 [0,0,0,0,0,0|1,0,0]=1 180 B4R0.1 CC(CCl)O S189129 [0,0,0,0,0,0|1,0,0]=1 181 B4R0.1 CC(CN)N I131828 [0,0,0,0,0,0|2,0,0]=2 182 B4R0.1 CC(CN)N P103897 [0,0,0,0,0,0|2,0,0]=2 183 B4R0.1 CC(CN)N P121635 [0,0,0,0,0,0|2,0,0]=2 184 B4R0.1 CC(CN)O A108441 [0,0,0,0,0,0|1,0,0]=1 185 B4R0.1 CC(CN)O A108442 [0,0,0,0,0,0|1,0,0]=1 186 B4R0.1 CC(CN)O A278622 [0,0,0,0,0,0|1,0,0]=1 187 B4R0.1 CC(CN)O A299438 [0,0,0,0,0,0|1,0,0]=1 188 B4R0.1 CC(CN)O I157481 [0,0,0,0,0,0|1,0,0]=1 189 B4R0.1 CC(CN)O R160942 [0,0,0,0,0,0|1,0,0]=1 190 B4R0.1 CC(CN)O S161024 [0,0,0,0,0,0|1,0,0]=1 191 B4R0.1 CC(CO)Cl S138418 [0,0,0,0,0,0|2,0,0]=2 192 B4R0.1 CC(CO)N A109243 [0,0,0,0,0,0|2,0,0]=2 193 B4R0.1 CC(CO)N A117128 [0,0,0,0,0,0|2,0,0]=2 194 B4R0.1 CC(CO)N A117165 [0,0,0,0,0,0|2,0,0]=2 195 B4R0.1 CC(CO)O P101749 [0,0,0,0,0,0|1,0,0]=1 196 B4R0.1 CC(CO)O P101750 [0,0,0,0,0,0|1,0,0]=1 197 B4R0.1 CC(CO)O P103429 [0,0,0,0,0,0|1,0,0]=1 198 B4R0.1 CC(CO)O P103430 [0,0,0,0,0,0|1,0,0]=1 199 B4R0.1 CC(CO)O P103433 [0,0,0,0,0,0|1,0,0]=1 200 B4R0.1 CC(CO)O P103434 [0,0,0,0,0,0|1,0,0]=1 201 B4R0.1 CC(CO)O P424846 [0,0,0,0,0,0|1,0,0]=1 202 B4R0.1 CC(CS)S P160528 [0,0,0,0,0,0|1,1,0]=2 203 B4R0.1 CC=C(C)Br B151979 [0,0,0,0,0,0|1,0,2]=3 204 B4R0.1 CC=C(C)Cl C153915 [0,0,0,0,0,0|1,0,2]=3 205 B4R0.1 CC=C(Cl)Cl D128125 [0,0,0,0,0,0|2,0,2]=4 206 B4R0.1 CCC(=N)N P588869 [0,0,0,0,0,0|2,0,1]=3 207 B4R0.1 CCC(=O)Br P107847 [0,0,0,0,0,0|1,0,2]=3 208 B4R0.1 CCC(=O)C B471974 [0,0,0,0,0,0|0,0,2]=2 209 B4R0.1 CCC(=O)Cl P108665 [0,0,0,0,0,0|1,0,2]=3 210 B4R0.1 CCC(=O)N P104016 [0,0,0,0,0,0|1,0,2]=3 211 B4R0.1 CCC(=O)O P110443 [0,0,0,0,0,0|1,0,1]=2 212 B4R0.1 CCC(=O)O P110444 [0,0,0,0,0,0|1,0,1]=2 213 B4R0.1 CCC(=O)O P110445 [0,0,0,0,0,0|1,0,1]=2 214 B4R0.1 CCC(=O)O P110446 [0,0,0,0,0,0|1,0,1]=2 215 B4R0.1 CCC(=O)O P110447 [0,0,0,0,0,0|1,0,1]=2 216 B4R0.1 CCC(=O)O P301795 [0,0,0,0,0,0|1,0,1]=2 217 B4R0.1 CCC(=O)O P343294 [0,0,0,0,0,0|1,0,1]=2 218 B4R0.1 CCC(=O)O P346208 [0,0,0,0,0,0|1,0,1]=2 219 B4R0.1 CCC(=O)O P434195 [0,0,0,0,0,0|1,0,1]=2 220 B4R0.1 CCC(=O)[O-] C112470 [0,0,0,0,0,0|1,0,2]=3 221 B4R0.1 CCC(=O)[O-] C112471 [0,0,0,0,0,0|1,0,2]=3 222 B4R0.1 CCC(=O)[O-] C492256 [0,0,0,0,0,0|1,0,2]=3 223 B4R0.1 CCC(=O)[O-] P160177 [0,0,0,0,0,0|1,0,2]=3 224 B4R0.1 CCC(=O)[O-] S100120 [0,0,0,0,0,0|1,0,2]=3 225 B4R0.1 CCC(=O)[O-] S100121 [0,0,0,0,0,0|1,0,2]=3 226 B4R0.1 CCC(=O)[O-] S100122 [0,0,0,0,0,0|1,0,2]=3 227 B4R0.1 CCC(=O)[O-] S346177 [0,0,0,0,0,0|1,0,2]=3 228 B4R0.1 CCC(=O)[O-] Z346699 [0,0,0,0,0,0|1,0,2]=3 229 B4R0.1 CCC(C)Br B109117 [0,0,0,0,0,0|1,0,0]=1 230 B4R0.1 CCC(C)Br B109118 [0,0,0,0,0,0|1,0,0]=1 231 B4R0.1 CCC(C)Cl C109267 [0,0,0,0,0,0|1,0,0]=1 232 B4R0.1 CCC(C)Cl C109268 [0,0,0,0,0,0|1,0,0]=1 233 B4R0.1 CCC(C)I B105795 [0,0,0,0,0,0|1,0,0]=1 234 B4R0.1 CCC(C)N B105239 [0,0,0,0,0,0|1,0,0]=1 235 B4R0.1 CCC(C)N I166970 [0,0,0,0,0,0|1,0,0]=1 236 B4R0.1 CCC(C)N S161321 [0,0,0,0,0,0|1,0,0]=1 237 B4R0.1 CCC(C)O B110360 [0,0,0,0,0,0|0,0,0]=0 238 B4R0.1 CCC(C)O B110361 [0,0,0,0,0,0|0,0,0]=0 239 B4R0.1 CCC(C)O B110362 [0,0,0,0,0,0|0,0,0]=0 240 B4R0.1 CCC(C)O B110365 [0,0,0,0,0,0|0,0,0]=0 241 B4R0.1 CCC(C)O R138264 [0,0,0,0,0,0|0,0,0]=0 242 B4R0.1 CCC(C)O S138824 [0,0,0,0,0,0|0,0,0]=0 243 B4R0.1 CCC(C)S B102330 [0,0,0,0,0,0|0,1,0]=1 244 B4R0.1 CCC(Cl)Cl D469688 [0,0,0,0,0,0|2,0,0]=2 245 B4R0.1 CCS(=O)[O-] S182544 [0,0,0,0,0,0|2,0,1]=3 246 B4R0.1 CC[Si](C)C E194931 [0,0,0,0,0,0|1,1,0]=2 247 B4R0.1 CN(C)C#N D154667 [0,0,0,0,0,0|3,0,1]=4 248 B4R0.1 CN(C)C=O D111998 [0,0,0,0,0,0|3,0,1]=4 249 B4R0.1 CN(C)C=O D111999 [0,0,0,0,0,0|3,0,1]=4 250 B4R0.1 CN(C)C=O D112000 [0,0,0,0,0,0|3,0,1]=4 251 B4R0.1 CN(C)C=O D112002 [0,0,0,0,0,0|3,0,1]=4 252 B4R0.1 CN(C)C=O D112003 [0,0,0,0,0,0|3,0,1]=4 253 B4R0.1 CN(C)C=O D112004 [0,0,0,0,0,0|3,0,1]=4 254 B4R0.1 CN(C)C=O D112007 [0,0,0,0,0,0|3,0,1]=4 255 B4R0.1 CN(C)C=O D112008 [0,0,0,0,0,0|3,0,1]=4 256 B4R0.1 CN(C)C=O D112009 [0,0,0,0,0,0|3,0,1]=4 257 B4R0.1 CN(C)C=O D119450 [0,0,0,0,0,0|3,0,1]=4 258 B4R0.1 CN(C)C=O D301788 [0,0,0,0,0,0|3,0,1]=4 259 B4R0.1 CN(C)C=O D639253 [0,0,0,0,0,0|3,0,1]=4 260 B4R0.1 CN(C)C=O N433309 [0,0,0,0,0,0|3,0,1]=4 261 B4R0.1 CN(C)C=S N139246 [0,0,0,0,0,0|3,0,1]=4 262 B4R0.1 CN(C)N=C F156632 [0,0,0,0,0,0|3,0,1]=4 263 B4R0.1 CN(C)N=O N396014 [0,0,0,0,0,0|4,0,0]=4 264 B4R0.1 CN(C)N=O N471951 [0,0,0,0,0,0|4,0,0]=4 265 B4R0.1 CN=C(N)N M133119 [0,0,0,0,0,0|3,0,1]=4 266 B4R0.1 CN=C(N)N M158240 [0,0,0,0,0,0|3,0,1]=4 267 B4R0.1 CN=C(N)N M473051 [0,0,0,0,0,0|3,0,1]=4 268 B4R0.1 CN=[N+](C)[O-] A169090 [0,0,0,0,0,0|2,0,1]=3 269 B4R0.1 CNC(=O)Cl M304270 [0,0,0,0,0,0|2,0,2]=4 270 B4R0.1 CNC(=O)N M107951 [0,0,0,0,0,0|2,0,2]=4 271 B4R0.1 CNC(=S)N M102026 [0,0,0,0,0,0|2,1,1]=4 272 B4R0.1 CNC(=S)[S-] M137665 [0,0,0,0,0,0|2,1,1]=4 273 B4R0.1 COC(=N)N O159961 [0,0,0,0,0,0|3,0,1]=4 274 B4R0.1 COC(=N)N O299457 [0,0,0,0,0,0|3,0,1]=4 275 B4R0.1 COC(=O)N M110332 [0,0,0,0,0,0|2,0,2]=4 276 B4R0.1 COC(Cl)Cl D109451 [0,0,0,0,0,0|3,0,0]=3 277 B4R0.1 CSC(=N)N M108041 [0,0,0,0,0,0|3,0,1]=4 278 B4R0.1 C[N+](=CCl)C C153896 [0,0,0,0,0,0|3,0,1]=4 279 B4R0.1 C[Si](C)CCl C357376 [0,0,0,0,0,0|2,1,0]=3 280 B3R0.1 C#CCBr P106960 [1,0,0,0,0,0|1,0,2]=4 281 B3R0.1 C#CCBr P106961 [1,0,0,0,0,0|1,0,2]=4 282 B3R0.1 C#CCCl P111454 [1,0,0,0,0,0|1,0,2]=4 283 B3R0.1 C#CCN P122408 [1,0,0,0,0,0|1,0,2]=4 284 B3R0.1 C#CCN P141472 [1,0,0,0,0,0|1,0,2]=4 285 B3R0.1 C#CCN p103552 [1,0,0,0,0,0|1,0,2]=4 286 B3R0.1 C(C#N)Br B104455 [1,0,0,0,0,0|2,0,1]=4 287 B3R0.1 C(C#N)Cl C107567 [1,0,0,0,0,0|2,0,1]=4 288 B3R0.1 C(C#N)F F101948 [1,0,0,0,0,0|2,0,1]=4 289 B3R0.1 C(C#N)I I102484 [1,0,0,0,0,0|2,0,1]=4 290 B3R0.1 C(C#N)N A137266 [1,0,0,0,0,0|2,0,1]=4 291 B3R0.1 C(C#N)N A342115 [1,0,0,0,0,0|2,0,1]=4 292 B3R0.1 C(CBr)Cl B106996 [1,0,0,0,0,0|2,0,0]=3 293 B3R0.1 C(CBr)N B109291 [1,0,0,0,0,0|2,0,0]=3 294 B3R0.1 C(CBr)O B111177 [1,0,0,0,0,0|1,0,0]=2 295 B3R0.1 C(CBr)O B111178 [1,0,0,0,0,0|1,0,0]=2 296 B3R0.1 C(CBr)O B136478 [1,0,0,0,0,0|1,0,0]=2 297 B3R0.1 C(CCl)Cl D115109 [1,0,0,0,0,0|2,0,0]=3 298 B3R0.1 C(CCl)Cl D116246 [1,0,0,0,0,0|2,0,0]=3 299 B3R0.1 C(CCl)Cl D116247 [1,0,0,0,0,0|2,0,0]=3 300 B3R0.1 C(CCl)Cl D116248 [1,0,0,0,0,0|2,0,0]=3 301 B3R0.1 C(CCl)Cl D116249 [1,0,0,0,0,0|2,0,0]=3 302 B3R0.1 C(CCl)Cl D116251 [1,0,0,0,0,0|2,0,0]=3 303 B3R0.1 C(CCl)Cl D116253 [1,0,0,0,0,0|2,0,0]=3 304 B3R0.1 C(CCl)Cl D119458 [1,0,0,0,0,0|2,0,0]=3 305 B3R0.1 C(CCl)Cl D128127 [1,0,0,0,0,0|2,0,0]=3 306 B3R0.1 C(CCl)Cl D431341 [1,0,0,0,0,0|2,0,0]=3 307 B3R0.1 C(CCl)N C107599 [1,0,0,0,0,0|2,0,0]=3 308 B3R0.1 C(CF)N F138873 [1,0,0,0,0,0|2,0,0]=3 309 B3R0.1 C(CF)O F110315 [1,0,0,0,0,0|1,0,0]=2 310 B3R0.1 C(CI)Cl C140416 [1,0,0,0,0,0|2,0,0]=3 311 B3R0.1 C(CI)F F194951 [1,0,0,0,0,0|2,0,0]=3 312 B3R0.1 C(CI)I D155311 [1,0,0,0,0,0|2,0,0]=3 313 B3R0.1 C(CI)O I137311 [1,0,0,0,0,0|1,0,0]=2 314 B3R0.1 C(CI)O I575056 [1,0,0,0,0,0|1,0,0]=2 315 B3R0.1 C(CN)N D129174 [1,0,0,0,0,0|2,0,0]=3 316 B3R0.1 C(CN)N D189014 [1,0,0,0,0,0|2,0,0]=3 317 B3R0.1 C(CN)N E108437 [1,0,0,0,0,0|2,0,0]=3 318 B3R0.1 C(CN)N E112132 [1,0,0,0,0,0|2,0,0]=3 319 B3R0.1 C(CN)N E112640 [1,0,0,0,0,0|2,0,0]=3 320 B3R0.1 C(CN)N E112642 [1,0,0,0,0,0|2,0,0]=3 321 B3R0.1 C(CN)N E112643 [1,0,0,0,0,0|2,0,0]=3 322 B3R0.1 C(CN)N E137281 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.1 C(CN)N E156113 [1,0,0,0,0,0|2,0,0]=3 324 B3R0.1 C(CN)N E431349 [1,0,0,0,0,0|2,0,0]=3 325 B3R0.1 C(CN)N E468771 [1,0,0,0,0,0|2,0,0]=3 326 B3R0.1 C(CN)N E472137 [1,0,0,0,0,0|2,0,0]=3 327 B3R0.1 C(CN)N E492758 [1,0,0,0,0,0|2,0,0]=3 328 B3R0.1 C(CN)N E492761 [1,0,0,0,0,0|2,0,0]=3 329 B3R0.1 C(CN)N E492905 [1,0,0,0,0,0|2,0,0]=3 330 B3R0.1 C(CN)N P121256 [1,0,0,0,0,0|2,0,0]=3 331 B3R0.1 C(CO)N A301834 [1,0,0,0,0,0|1,0,0]=2 332 B3R0.1 C(CO)N E103802 [1,0,0,0,0,0|1,0,0]=2 333 B3R0.1 C(CO)N E103806 [1,0,0,0,0,0|1,0,0]=2 334 B3R0.1 C(CO)N E103808 [1,0,0,0,0,0|1,0,0]=2 335 B3R0.1 C(CO)N E103809 [1,0,0,0,0,0|1,0,0]=2 336 B3R0.1 C(CO)N E103810 [1,0,0,0,0,0|1,0,0]=2 337 B3R0.1 C(CO)N E120635 [1,0,0,0,0,0|1,0,0]=2 338 B3R0.1 C(CO)N E292771 [1,0,0,0,0,0|1,0,0]=2 339 B3R0.1 C(CO)N E292783 [1,0,0,0,0,0|1,0,0]=2 340 B3R0.1 C(CO)N E301792 [1,0,0,0,0,0|1,0,0]=2 341 B3R0.1 C(CO)N E422436 [1,0,0,0,0,0|1,0,0]=2 342 B3R0.1 C(CO)N E491883 [1,0,0,0,0,0|1,0,0]=2 343 B3R0.1 C(CO)O E103318 [1,0,0,0,0,0|1,0,0]=2 344 B3R0.1 C(CO)O E103319 [1,0,0,0,0,0|1,0,0]=2 345 B3R0.1 C(CO)O E103321 [1,0,0,0,0,0|1,0,0]=2 346 B3R0.1 C(CO)O E103322 [1,0,0,0,0,0|1,0,0]=2 347 B3R0.1 C(CO)O E103323 [1,0,0,0,0,0|1,0,0]=2 348 B3R0.1 C(CO)O E119700 [1,0,0,0,0,0|1,0,0]=2 349 B3R0.1 C(CO)O E336117 [1,0,0,0,0,0|1,0,0]=2 350 B3R0.1 C(CO)O E431350 [1,0,0,0,0,0|1,0,0]=2 351 B3R0.1 C(CO)O E472164 [1,0,0,0,0,0|1,0,0]=2 352 B3R0.1 C(CS)N C106201 [1,0,0,0,0,0|1,1,0]=3 353 B3R0.1 C(CS)N C106461 [1,0,0,0,0,0|1,1,0]=3 354 B3R0.1 C(CS)N C406662 [1,0,0,0,0,0|1,1,0]=3 355 B3R0.1 C(CS)N C421874 [1,0,0,0,0,0|1,1,0]=3 356 B3R0.1 C(CS)N C425002 [1,0,0,0,0,0|1,1,0]=3 357 B3R0.1 C(CS)N E491887 [1,0,0,0,0,0|1,1,0]=3 358 B3R0.1 C(CS)O M274256 [1,0,0,0,0,0|1,0,0]=2 359 B3R0.1 C(CS)O M301573 [1,0,0,0,0,0|1,0,0]=2 360 B3R0.1 C(CS)O M301574 [1,0,0,0,0,0|1,0,0]=2 361 B3R0.1 C(CS)S E106222 [1,0,0,0,0,0|1,1,0]=3 362 B3R0.1 C=CCBr A108658 [1,0,0,0,0,0|1,0,2]=4 363 B3R0.1 C=CCCl A103820 [1,0,0,0,0,0|1,0,2]=4 364 B3R0.1 C=CCCl A103821 [1,0,0,0,0,0|1,0,2]=4 365 B3R0.1 C=CCCl A103822 [1,0,0,0,0,0|1,0,2]=4 366 B3R0.1 C=CCCl A141152 [1,0,0,0,0,0|1,0,2]=4 367 B3R0.1 C=CCI A109401 [1,0,0,0,0,0|1,0,2]=4 368 B3R0.1 C=CCN A123283 [1,0,0,0,0,0|1,0,2]=4 369 B3R0.1 C=CCN P194734 [1,0,0,0,0,0|1,0,2]=4 370 B3R0.1 C=CCN P432587 [1,0,0,0,0,0|1,0,2]=4 371 B3R0.1 C=CCN P433384 [1,0,0,0,0,0|1,0,2]=4 372 B3R0.1 C=CCN P433385 [1,0,0,0,0,0|1,0,2]=4 373 B3R0.1 CC=CBr B120309 [1,0,0,0,0,0|1,0,2]=4 374 B3R0.1 CC=CBr B151977 [1,0,0,0,0,0|1,0,2]=4 375 B3R0.1 CC=NO A108687 [1,0,0,0,0,0|1,0,1]=3 376 B3R0.1 CCC=O P100053 [1,0,0,0,0,0|0,0,2]=3 377 B3R0.1 CCC=O P100055 [1,0,0,0,0,0|0,0,2]=3 378 B3R0.1 CCCBr P105781 [1,0,0,0,0,0|1,0,0]=2 379 B3R0.1 CCCBr P105782 [1,0,0,0,0,0|1,0,0]=2 380 B3R0.1 CCCCl C109186 [1,0,0,0,0,0|1,0,0]=2 381 B3R0.1 CCCCl C109187 [1,0,0,0,0,0|1,0,0]=2 382 B3R0.1 CCCI I108561 [1,0,0,0,0,0|1,0,0]=2 383 B3R0.1 CCCN P100388 [1,0,0,0,0,0|1,0,0]=2 384 B3R0.1 CCCN P100389 [1,0,0,0,0,0|1,0,0]=2 385 B3R0.1 CCCN P100390 [1,0,0,0,0,0|1,0,0]=2 386 B3R0.1 CCCN P160475 [1,0,0,0,0,0|1,0,0]=2 387 B3R0.1 CCCN P160642 [1,0,0,0,0,0|1,0,0]=2 388 B3R0.1 CCCN P160706 [1,0,0,0,0,0|1,0,0]=2 389 B3R0.1 CCCN P492083 [1,0,0,0,0,0|1,0,0]=2 390 B3R0.1 CCCN P492097 [1,0,0,0,0,0|1,0,0]=2 391 B3R0.1 CCCN P492100 [1,0,0,0,0,0|1,0,0]=2 392 B3R0.1 CCCO P110342 [1,0,0,0,0,0|0,0,0]=1 393 B3R0.1 CCCO P110343 [1,0,0,0,0,0|0,0,0]=1 394 B3R0.1 CCCO P110345 [1,0,0,0,0,0|0,0,0]=1 395 B3R0.1 CCCO P110346 [1,0,0,0,0,0|0,0,0]=1 396 B3R0.1 CCCO P110347 [1,0,0,0,0,0|0,0,0]=1 397 B3R0.1 CCCO P110348 [1,0,0,0,0,0|0,0,0]=1 398 B3R0.1 CCCO P119680 [1,0,0,0,0,0|0,0,0]=1 399 B3R0.1 CCCO P301085 [1,0,0,0,0,0|0,0,0]=1 400 B3R0.1 CCCO V343786 [1,0,0,0,0,0|0,0,0]=1 401 B3R0.1 CCCS P100008 [1,0,0,0,0,0|0,1,0]=2 402 B3R0.1 CCCS P103444 [1,0,0,0,0,0|0,1,0]=2 403 B3R0.1 CCC[CH2-] B140756 [1,0,0,0,0,0|0,0,1]=2 404 B3R0.1 CCC[CH2-] B465987 [1,0,0,0,0,0|0,0,1]=2 405 B3R0.1 CCC[CH2-] L337344 [1,0,0,0,0,0|0,0,1]=2 406 B3R0.1 CCC[CH2-] N431405 [1,0,0,0,0,0|0,0,1]=2 407 B3R0.1 CCC[CH2-] N466053 [1,0,0,0,0,0|0,0,1]=2 408 B3R0.1 CCC[O-] T349490 [1,0,0,0,0,0|0,0,1]=2 409 B3R0.1 CCC[O-] Z106340 [1,0,0,0,0,0|0,0,1]=2 410 B3R0.1 CCC[S-] S330727 [1,0,0,0,0,0|0,1,0]=2 411 B3R0.1 CCNO N193370 [1,0,0,0,0,0|1,0,0]=2 412 B3R0.1 CCON E135458 [1,0,0,0,0,0|2,0,0]=3 413 B3R0.1 CCSC E140654 [1,0,0,0,0,0|1,0,0]=2 414 B3R0.1 CC[CH-]C D404094 [1,0,0,0,0,0|0,0,1]=2 415 B3R0.1 CC[N-]C T282369 [1,0,0,0,0,0|1,0,0]=2 416 B3R0.1 CC[N-]C T282378 [1,0,0,0,0,0|1,0,0]=2 417 B3R0.1 CC[N-]C T283555 [1,0,0,0,0,0|1,0,0]=2 418 B3R0.1 CNC=O M107591 [1,0,0,0,0,0|1,0,2]=4 419 B3R0.1 CNOC D123576 [1,0,0,0,0,0|2,0,0]=3 420 B3R0.1 COC=C P304875 [1,0,0,0,0,0|1,0,2]=4 421 B3R0.1 COCBr B138143 [1,0,0,0,0,0|2,0,0]=3 422 B3R0.1 CSC#N M158325 [1,0,0,0,0,0|2,0,1]=4 423 B3R0.1 CSCCl C153265 [1,0,0,0,0,0|2,0,0]=3 424 B3R0.1 C[Se][Se]C D133995 [1,0,0,0,0,0|2,0,0]=3 425 B3R0.2 B(C)(O)O M120271 [1,0,0,0,0,0|2,0,0]=3 426 B3R0.2 B(O)(O)O B111592 [1,0,0,0,0,0|3,0,0]=4 427 B3R0.2 B(O)(O)O B111594 [1,0,0,0,0,0|3,0,0]=4 428 B3R0.2 B(O)(O)O B111597 [1,0,0,0,0,0|3,0,0]=4 429 B3R0.2 B(O)(O)O B111599 [1,0,0,0,0,0|3,0,0]=4 430 B3R0.2 B(O)(O)O B111601 [1,0,0,0,0,0|3,0,0]=4 431 B3R0.2 B(O)(O)O B111604 [1,0,0,0,0,0|3,0,0]=4 432 B3R0.2 B(O)(O)O B111605 [1,0,0,0,0,0|3,0,0]=4 433 B3R0.2 B(O)(O)O B111606 [1,0,0,0,0,0|3,0,0]=4 434 B3R0.2 B(O)(O)O B140880 [1,0,0,0,0,0|3,0,0]=4 435 B3R0.2 B(O)(O)O B331493 [1,0,0,0,0,0|3,0,0]=4 436 B3R0.2 B(O)(O)O B331494 [1,0,0,0,0,0|3,0,0]=4 437 B3R0.2 B(O)(O)O B335153 [1,0,0,0,0,0|3,0,0]=4 438 B3R0.2 B(O)(O)O B431188 [1,0,0,0,0,0|3,0,0]=4 439 B3R0.2 B(O)(O)O B431189 [1,0,0,0,0,0|3,0,0]=4 440 B3R0.2 B(O)(O)O p117667 [1,0,0,0,0,0|3,0,0]=4 441 B3R0.2 C(=O)(O)[O-] A110536 [1,0,0,0,0,0|2,0,1]=4 442 B3R0.2 C(=O)(O)[O-] A110537 [1,0,0,0,0,0|2,0,1]=4 443 B3R0.2 C(=O)(O)[O-] A431332 [1,0,0,0,0,0|2,0,1]=4 444 B3R0.2 C(=O)(O)[O-] A431333 [1,0,0,0,0,0|2,0,1]=4 445 B3R0.2 C(=O)(O)[O-] C303357 [1,0,0,0,0,0|2,0,1]=4 446 B3R0.2 C(=O)(O)[O-] P110485 [1,0,0,0,0,0|2,0,1]=4 447 B3R0.2 C(=O)(O)[O-] P110487 [1,0,0,0,0,0|2,0,1]=4 448 B3R0.2 C(=O)(O)[O-] P118601 [1,0,0,0,0,0|2,0,1]=4 449 B3R0.2 C(=O)(O)[O-] P639954 [1,0,0,0,0,0|2,0,1]=4 450 B3R0.2 C(=O)(O)[O-] S112331 [1,0,0,0,0,0|2,0,1]=4 451 B3R0.2 C(=O)(O)[O-] S112334 [1,0,0,0,0,0|2,0,1]=4 452 B3R0.2 C(=O)(O)[O-] S112335 [1,0,0,0,0,0|2,0,1]=4 453 B3R0.2 C(=O)(O)[O-] S112337 [1,0,0,0,0,0|2,0,1]=4 454 B3R0.2 C(=O)(O)[O-] S112338 [1,0,0,0,0,0|2,0,1]=4 455 B3R0.2 C(=O)(O)[O-] S112339 [1,0,0,0,0,0|2,0,1]=4 456 B3R0.2 C(=O)(O)[O-] S118660 [1,0,0,0,0,0|2,0,1]=4 457 B3R0.2 C(=O)(O)[O-] S331496 [1,0,0,0,0,0|2,0,1]=4 458 B3R0.2 C(=O)(O)[O-] S401669 [1,0,0,0,0,0|2,0,1]=4 459 B3R0.2 C(=O)(O)[O-] S432108 [1,0,0,0,0,0|2,0,1]=4 460 B3R0.2 C(=O)(O)[O-] S432109 [1,0,0,0,0,0|2,0,1]=4 461 B3R0.2 C(=O)(O)[O-] S432111 [1,0,0,0,0,0|2,0,1]=4 462 B3R0.2 C(=O)(O)[O-] S604571 [1,0,0,0,0,0|2,0,1]=4 463 B3R0.2 C(=O)(O)[O-] S639888 [1,0,0,0,0,0|2,0,1]=4 464 B3R0.2 C(=O)(O)[O-] T290608 [1,0,0,0,0,0|2,0,1]=4 465 B3R0.2 C(=O)(O)[O-] Z113329 [1,0,0,0,0,0|2,0,1]=4 466 B3R0.2 C(Br)(Br)Br T108553 [1,0,0,0,0,0|3,0,0]=4 467 B3R0.2 C(Br)(Br)Br T108556 [1,0,0,0,0,0|3,0,0]=4 468 B3R0.2 C(Br)(Br)Br T108557 [1,0,0,0,0,0|3,0,0]=4 469 B3R0.2 C(Br)(Br)Br T108558 [1,0,0,0,0,0|3,0,0]=4 470 B3R0.2 C(Br)(Br)I D344693 [1,0,0,0,0,0|3,0,0]=4 471 B3R0.2 C(Br)(I)I B355147 [1,0,0,0,0,0|3,0,0]=4 472 B3R0.2 C(Cl)(Br)Br C196360 [1,0,0,0,0,0|3,0,0]=4 473 B3R0.2 C(Cl)(Br)Br D431658 [1,0,0,0,0,0|3,0,0]=4 474 B3R0.2 C(Cl)(Cl)Br B101284 [1,0,0,0,0,0|3,0,0]=4 475 B3R0.2 C(Cl)(Cl)Br B101288 [1,0,0,0,0,0|3,0,0]=4 476 B3R0.2 C(Cl)(Cl)Br B299288 [1,0,0,0,0,0|3,0,0]=4 477 B3R0.2 C(Cl)(Cl)Cl C109593 [1,0,0,0,0,0|3,0,0]=4 478 B3R0.2 C(Cl)(Cl)Cl C109594 [1,0,0,0,0,0|3,0,0]=4 479 B3R0.2 C(Cl)(Cl)Cl C109595 [1,0,0,0,0,0|3,0,0]=4 480 B3R0.2 C(Cl)(Cl)Cl C122876 [1,0,0,0,0,0|3,0,0]=4 481 B3R0.2 C(Cl)(Cl)Cl C434286 [1,0,0,0,0,0|3,0,0]=4 482 B3R0.2 C(Cl)(Cl)I D349681 [1,0,0,0,0,0|3,0,0]=4 483 B3R0.2 C(F)(Br)Br D189056 [1,0,0,0,0,0|3,0,0]=4 484 B3R0.2 C(I)(I)I I108194 [1,0,0,0,0,0|3,0,0]=4 485 B3R0.2 CC(=C)Br B124196 [1,0,0,0,0,0|1,0,2]=4 486 B3R0.2 CC(=C)C P304882 [1,0,0,0,0,0|1,0,1]=3 487 B3R0.2 CC(=C)C P304883 [1,0,0,0,0,0|1,0,1]=3 488 B3R0.2 CC(=C)C P304884 [1,0,0,0,0,0|1,0,1]=3 489 B3R0.2 CC(=C)C P304885 [1,0,0,0,0,0|1,0,1]=3 490 B3R0.2 CC(=C)C P418789 [1,0,0,0,0,0|1,0,1]=3 491 B3R0.2 CC(=C)C P418824 [1,0,0,0,0,0|1,0,1]=3 492 B3R0.2 CC(=C)C P418832 [1,0,0,0,0,0|1,0,1]=3 493 B3R0.2 CC(=C)C P418835 [1,0,0,0,0,0|1,0,1]=3 494 B3R0.2 CC(=C)C P418837 [1,0,0,0,0,0|1,0,1]=3 495 B3R0.2 CC(=N)N A107218 [1,0,0,0,0,0|2,0,1]=4 496 B3R0.2 CC(=N)N A151335 [1,0,0,0,0,0|2,0,1]=4 497 B3R0.2 CC(=N)N A405649 [1,0,0,0,0,0|2,0,1]=4 498 B3R0.2 CC(=O)Br A109619 [1,0,0,0,0,0|1,0,2]=4 499 B3R0.2 CC(=O)C A100962 [1,0,0,0,0,0|0,0,2]=3 500 B3R0.2 CC(=O)C A100963 [1,0,0,0,0,0|0,0,2]=3 501 B3R0.2 CC(=O)C A100965 [1,0,0,0,0,0|0,0,2]=3 502 B3R0.2 CC(=O)C A123143 [1,0,0,0,0,0|0,0,2]=3 503 B3R0.2 CC(=O)C A399711 [1,0,0,0,0,0|0,0,2]=3 504 B3R0.2 CC(=O)C A399717 [1,0,0,0,0,0|0,0,2]=3 505 B3R0.2 CC(=O)C A399767 [1,0,0,0,0,0|0,0,2]=3 506 B3R0.2 CC(=O)Cl A108662 [1,0,0,0,0,0|1,0,2]=4 507 B3R0.2 CC(=O)Cl A108664 [1,0,0,0,0,0|1,0,2]=4 508 B3R0.2 CC(=O)Cl A121289 [1,0,0,0,0,0|1,0,2]=4 509 B3R0.2 CC(=O)Cl A140638 [1,0,0,0,0,0|1,0,2]=4 510 B3R0.2 CC(=O)I A151620 [1,0,0,0,0,0|1,0,2]=4 511 B3R0.2 CC(=O)N A108460 [1,0,0,0,0,0|1,0,2]=4 512 B3R0.2 CC(=O)N A108461 [1,0,0,0,0,0|1,0,2]=4 513 B3R0.2 CC(=O)N A108462 [1,0,0,0,0,0|1,0,2]=4 514 B3R0.2 CC(=O)O A111246 [1,0,0,0,0,0|1,0,1]=3 515 B3R0.2 CC(=O)O A111247 [1,0,0,0,0,0|1,0,1]=3 516 B3R0.2 CC(=O)O A112880 [1,0,0,0,0,0|1,0,1]=3 517 B3R0.2 CC(=O)O A116165 [1,0,0,0,0,0|1,0,1]=3 518 B3R0.2 CC(=O)O A116166 [1,0,0,0,0,0|1,0,1]=3 519 B3R0.2 CC(=O)O A116167 [1,0,0,0,0,0|1,0,1]=3 520 B3R0.2 CC(=O)O A116168 [1,0,0,0,0,0|1,0,1]=3 521 B3R0.2 CC(=O)O A116170 [1,0,0,0,0,0|1,0,1]=3 522 B3R0.2 CC(=O)O A116172 [1,0,0,0,0,0|1,0,1]=3 523 B3R0.2 CC(=O)O A116173 [1,0,0,0,0,0|1,0,1]=3 524 B3R0.2 CC(=O)O A116174 [1,0,0,0,0,0|1,0,1]=3 525 B3R0.2 CC(=O)O A121278 [1,0,0,0,0,0|1,0,1]=3 526 B3R0.2 CC(=O)O A140018 [1,0,0,0,0,0|1,0,1]=3 527 B3R0.2 CC(=O)O A140666 [1,0,0,0,0,0|1,0,1]=3 528 B3R0.2 CC(=O)O A197260 [1,0,0,0,0,0|1,0,1]=3 529 B3R0.2 CC(=O)O A291630 [1,0,0,0,0,0|1,0,1]=3 530 B3R0.2 CC(=O)O A298827 [1,0,0,0,0,0|1,0,1]=3 531 B3R0.2 CC(=O)O A433217 [1,0,0,0,0,0|1,0,1]=3 532 B3R0.2 CC(=O)O A433219 [1,0,0,0,0,0|1,0,1]=3 533 B3R0.2 CC(=O)O A433222 [1,0,0,0,0,0|1,0,1]=3 534 B3R0.2 CC(=O)O A433223 [1,0,0,0,0,0|1,0,1]=3 535 B3R0.2 CC(=O)O A471867 [1,0,0,0,0,0|1,0,1]=3 536 B3R0.2 CC(=O)O A579677 [1,0,0,0,0,0|1,0,1]=3 537 B3R0.2 CC(=O)O D347619 [1,0,0,0,0,0|1,0,1]=3 538 B3R0.2 CC(=O)O E196209 [1,0,0,0,0,0|1,0,1]=3 539 B3R0.2 CC(=O)O E300209 [1,0,0,0,0,0|1,0,1]=3 540 B3R0.2 CC(=O)O E433149 [1,0,0,0,0,0|1,0,1]=3 541 B3R0.2 CC(=O)O F100557 [1,0,0,0,0,0|1,0,1]=3 542 B3R0.2 CC(=O)O G347679 [1,0,0,0,0,0|1,0,1]=3 543 B3R0.2 CC(=O)O G475063 [1,0,0,0,0,0|1,0,1]=3 544 B3R0.2 CC(=O)O H119952 [1,0,0,0,0,0|1,0,1]=3 545 B3R0.2 CC(=O)O N106127 [1,0,0,0,0,0|1,0,1]=3 546 B3R0.2 CC(=O)O P196208 [1,0,0,0,0,0|1,0,1]=3 547 B3R0.2 CC(=O)O S100373 [1,0,0,0,0,0|1,0,1]=3 548 B3R0.2 CC(=O)O S378199 [1,0,0,0,0,0|1,0,1]=3 549 B3R0.2 CC(=O)O S431670 [1,0,0,0,0,0|1,0,1]=3 550 B3R0.2 CC(=O)O S431671 [1,0,0,0,0,0|1,0,1]=3 551 B3R0.2 CC(=O)O T192674 [1,0,0,0,0,0|1,0,1]=3 552 B3R0.2 CC(=O)S T112604 [1,0,0,0,0,0|1,0,2]=4 553 B3R0.2 CC(=O)[O-] A111331 [1,0,0,0,0,0|1,0,2]=4 554 B3R0.2 CC(=O)[O-] A112048 [1,0,0,0,0,0|1,0,2]=4 555 B3R0.2 CC(=O)[O-] A112055 [1,0,0,0,0,0|1,0,2]=4 556 B3R0.2 CC(=O)[O-] A112056 [1,0,0,0,0,0|1,0,2]=4 557 B3R0.2 CC(=O)[O-] A112057 [1,0,0,0,0,0|1,0,2]=4 558 B3R0.2 CC(=O)[O-] A112058 [1,0,0,0,0,0|1,0,2]=4 559 B3R0.2 CC(=O)[O-] A112059 [1,0,0,0,0,0|1,0,2]=4 560 B3R0.2 CC(=O)[O-] A112060 [1,0,0,0,0,0|1,0,2]=4 561 B3R0.2 CC(=O)[O-] A112061 [1,0,0,0,0,0|1,0,2]=4 562 B3R0.2 CC(=O)[O-] A121772 [1,0,0,0,0,0|1,0,2]=4 563 B3R0.2 CC(=O)[O-] A294961 [1,0,0,0,0,0|1,0,2]=4 564 B3R0.2 CC(=O)[O-] A294964 [1,0,0,0,0,0|1,0,2]=4 565 B3R0.2 CC(=O)[O-] A433166 [1,0,0,0,0,0|1,0,2]=4 566 B3R0.2 CC(=O)[O-] B102945 [1,0,0,0,0,0|1,0,2]=4 567 B3R0.2 CC(=O)[O-] B102947 [1,0,0,0,0,0|1,0,2]=4 568 B3R0.2 CC(=O)[O-] B102949 [1,0,0,0,0,0|1,0,2]=4 569 B3R0.2 CC(=O)[O-] B303104 [1,0,0,0,0,0|1,0,2]=4 570 B3R0.2 CC(=O)[O-] B303105 [1,0,0,0,0,0|1,0,2]=4 571 B3R0.2 CC(=O)[O-] C100139 [1,0,0,0,0,0|1,0,2]=4 572 B3R0.2 CC(=O)[O-] C100141 [1,0,0,0,0,0|1,0,2]=4 573 B3R0.2 CC(=O)[O-] C105400 [1,0,0,0,0,0|1,0,2]=4 574 B3R0.2 CC(=O)[O-] C106020 [1,0,0,0,0,0|1,0,2]=4 575 B3R0.2 CC(=O)[O-] C106650 [1,0,0,0,0,0|1,0,2]=4 576 B3R0.2 CC(=O)[O-] C106651 [1,0,0,0,0,0|1,0,2]=4 577 B3R0.2 CC(=O)[O-] C108085 [1,0,0,0,0,0|1,0,2]=4 578 B3R0.2 CC(=O)[O-] C108885 [1,0,0,0,0,0|1,0,2]=4 579 B3R0.2 CC(=O)[O-] C108886 [1,0,0,0,0,0|1,0,2]=4 580 B3R0.2 CC(=O)[O-] C110803 [1,0,0,0,0,0|1,0,2]=4 581 B3R0.2 CC(=O)[O-] C110804 [1,0,0,0,0,0|1,0,2]=4 582 B3R0.2 CC(=O)[O-] C110805 [1,0,0,0,0,0|1,0,2]=4 583 B3R0.2 CC(=O)[O-] C110807 [1,0,0,0,0,0|1,0,2]=4 584 B3R0.2 CC(=O)[O-] C118497 [1,0,0,0,0,0|1,0,2]=4 585 B3R0.2 CC(=O)[O-] C118636 [1,0,0,0,0,0|1,0,2]=4 586 B3R0.2 CC(=O)[O-] C118637 [1,0,0,0,0,0|1,0,2]=4 587 B3R0.2 CC(=O)[O-] C131576 [1,0,0,0,0,0|1,0,2]=4 588 B3R0.2 CC(=O)[O-] C153760 [1,0,0,0,0,0|1,0,2]=4 589 B3R0.2 CC(=O)[O-] C197275 [1,0,0,0,0,0|1,0,2]=4 590 B3R0.2 CC(=O)[O-] C305845 [1,0,0,0,0,0|1,0,2]=4 591 B3R0.2 CC(=O)[O-] C433063 [1,0,0,0,0,0|1,0,2]=4 592 B3R0.2 CC(=O)[O-] C433113 [1,0,0,0,0,0|1,0,2]=4 593 B3R0.2 CC(=O)[O-] C472574 [1,0,0,0,0,0|1,0,2]=4 594 B3R0.2 CC(=O)[O-] C485449 [1,0,0,0,0,0|1,0,2]=4 595 B3R0.2 CC(=O)[O-] C616592 [1,0,0,0,0,0|1,0,2]=4 596 B3R0.2 CC(=O)[O-] E347618 [1,0,0,0,0,0|1,0,2]=4 597 B3R0.2 CC(=O)[O-] G302975 [1,0,0,0,0,0|1,0,2]=4 598 B3R0.2 CC(=O)[O-] H283501 [1,0,0,0,0,0|1,0,2]=4 599 B3R0.2 CC(=O)[O-] I157596 [1,0,0,0,0,0|1,0,2]=4 600 B3R0.2 CC(=O)[O-] I192310 [1,0,0,0,0,0|1,0,2]=4 601 B3R0.2 CC(=O)[O-] I432598 [1,0,0,0,0,0|1,0,2]=4 602 B3R0.2 CC(=O)[O-] I432599 [1,0,0,0,0,0|1,0,2]=4 603 B3R0.2 CC(=O)[O-] L102778 [1,0,0,0,0,0|1,0,2]=4 604 B3R0.2 CC(=O)[O-] L102779 [1,0,0,0,0,0|1,0,2]=4 605 B3R0.2 CC(=O)[O-] L105189 [1,0,0,0,0,0|1,0,2]=4 606 B3R0.2 CC(=O)[O-] L105191 [1,0,0,0,0,0|1,0,2]=4 607 B3R0.2 CC(=O)[O-] L105192 [1,0,0,0,0,0|1,0,2]=4 608 B3R0.2 CC(=O)[O-] L106809 [1,0,0,0,0,0|1,0,2]=4 609 B3R0.2 CC(=O)[O-] L106810 [1,0,0,0,0,0|1,0,2]=4 610 B3R0.2 CC(=O)[O-] L118609 [1,0,0,0,0,0|1,0,2]=4 611 B3R0.2 CC(=O)[O-] L118858 [1,0,0,0,0,0|1,0,2]=4 612 B3R0.2 CC(=O)[O-] L168480 [1,0,0,0,0,0|1,0,2]=4 613 B3R0.2 CC(=O)[O-] L189058 [1,0,0,0,0,0|1,0,2]=4 614 B3R0.2 CC(=O)[O-] L196609 [1,0,0,0,0,0|1,0,2]=4 615 B3R0.2 CC(=O)[O-] L331817 [1,0,0,0,0,0|1,0,2]=4 616 B3R0.2 CC(=O)[O-] M108880 [1,0,0,0,0,0|1,0,2]=4 617 B3R0.2 CC(=O)[O-] M108882 [1,0,0,0,0,0|1,0,2]=4 618 B3R0.2 CC(=O)[O-] M108883 [1,0,0,0,0,0|1,0,2]=4 619 B3R0.2 CC(=O)[O-] M108884 [1,0,0,0,0,0|1,0,2]=4 620 B3R0.2 CC(=O)[O-] M131577 [1,0,0,0,0,0|1,0,2]=4 621 B3R0.2 CC(=O)[O-] M168281 [1,0,0,0,0,0|1,0,2]=4 622 B3R0.2 CC(=O)[O-] M302852 [1,0,0,0,0,0|1,0,2]=4 623 B3R0.2 CC(=O)[O-] M433192 [1,0,0,0,0,0|1,0,2]=4 624 B3R0.2 CC(=O)[O-] M587217 [1,0,0,0,0,0|1,0,2]=4 625 B3R0.2 CC(=O)[O-] M615748 [1,0,0,0,0,0|1,0,2]=4 626 B3R0.2 CC(=O)[O-] P100486 [1,0,0,0,0,0|1,0,2]=4 627 B3R0.2 CC(=O)[O-] P108325 [1,0,0,0,0,0|1,0,2]=4 628 B3R0.2 CC(=O)[O-] P108329 [1,0,0,0,0,0|1,0,2]=4 629 B3R0.2 CC(=O)[O-] P108330 [1,0,0,0,0,0|1,0,2]=4 630 B3R0.2 CC(=O)[O-] P111485 [1,0,0,0,0,0|1,0,2]=4 631 B3R0.2 CC(=O)[O-] P111486 [1,0,0,0,0,0|1,0,2]=4 632 B3R0.2 CC(=O)[O-] P160183 [1,0,0,0,0,0|1,0,2]=4 633 B3R0.2 CC(=O)[O-] P283478 [1,0,0,0,0,0|1,0,2]=4 634 B3R0.2 CC(=O)[O-] P283931 [1,0,0,0,0,0|1,0,2]=4 635 B3R0.2 CC(=O)[O-] P299555 [1,0,0,0,0,0|1,0,2]=4 636 B3R0.2 CC(=O)[O-] P299556 [1,0,0,0,0,0|1,0,2]=4 637 B3R0.2 CC(=O)[O-] P639156 [1,0,0,0,0,0|1,0,2]=4 638 B3R0.2 CC(=O)[O-] R102671 [1,0,0,0,0,0|1,0,2]=4 639 B3R0.2 CC(=O)[O-] R283395 [1,0,0,0,0,0|1,0,2]=4 640 B3R0.2 CC(=O)[O-] R304476 [1,0,0,0,0,0|1,0,2]=4 641 B3R0.2 CC(=O)[O-] S104731 [1,0,0,0,0,0|1,0,2]=4 642 B3R0.2 CC(=O)[O-] S104733 [1,0,0,0,0,0|1,0,2]=4 643 B3R0.2 CC(=O)[O-] S111519 [1,0,0,0,0,0|1,0,2]=4 644 B3R0.2 CC(=O)[O-] S111520 [1,0,0,0,0,0|1,0,2]=4 645 B3R0.2 CC(=O)[O-] S111521 [1,0,0,0,0,0|1,0,2]=4 646 B3R0.2 CC(=O)[O-] S111522 [1,0,0,0,0,0|1,0,2]=4 647 B3R0.2 CC(=O)[O-] S112480 [1,0,0,0,0,0|1,0,2]=4 648 B3R0.2 CC(=O)[O-] S116316 [1,0,0,0,0,0|1,0,2]=4 649 B3R0.2 CC(=O)[O-] S116317 [1,0,0,0,0,0|1,0,2]=4 650 B3R0.2 CC(=O)[O-] S116318 [1,0,0,0,0,0|1,0,2]=4 651 B3R0.2 CC(=O)[O-] S116319 [1,0,0,0,0,0|1,0,2]=4 652 B3R0.2 CC(=O)[O-] S116320 [1,0,0,0,0,0|1,0,2]=4 653 B3R0.2 CC(=O)[O-] S118647 [1,0,0,0,0,0|1,0,2]=4 654 B3R0.2 CC(=O)[O-] S118648 [1,0,0,0,0,0|1,0,2]=4 655 B3R0.2 CC(=O)[O-] S118649 [1,0,0,0,0,0|1,0,2]=4 656 B3R0.2 CC(=O)[O-] S118650 [1,0,0,0,0,0|1,0,2]=4 657 B3R0.2 CC(=O)[O-] S118661 [1,0,0,0,0,0|1,0,2]=4 658 B3R0.2 CC(=O)[O-] S121307 [1,0,0,0,0,0|1,0,2]=4 659 B3R0.2 CC(=O)[O-] S299214 [1,0,0,0,0,0|1,0,2]=4 660 B3R0.2 CC(=O)[O-] S299215 [1,0,0,0,0,0|1,0,2]=4 661 B3R0.2 CC(=O)[O-] S301881 [1,0,0,0,0,0|1,0,2]=4 662 B3R0.2 CC(=O)[O-] S301882 [1,0,0,0,0,0|1,0,2]=4 663 B3R0.2 CC(=O)[O-] S305337 [1,0,0,0,0,0|1,0,2]=4 664 B3R0.2 CC(=O)[O-] S306014 [1,0,0,0,0,0|1,0,2]=4 665 B3R0.2 CC(=O)[O-] S331497 [1,0,0,0,0,0|1,0,2]=4 666 B3R0.2 CC(=O)[O-] S335300 [1,0,0,0,0,0|1,0,2]=4 667 B3R0.2 CC(=O)[O-] S339494 [1,0,0,0,0,0|1,0,2]=4 668 B3R0.2 CC(=O)[O-] S421119 [1,0,0,0,0,0|1,0,2]=4 669 B3R0.2 CC(=O)[O-] S431676 [1,0,0,0,0,0|1,0,2]=4 670 B3R0.2 CC(=O)[O-] S431678 [1,0,0,0,0,0|1,0,2]=4 671 B3R0.2 CC(=O)[O-] S431679 [1,0,0,0,0,0|1,0,2]=4 672 B3R0.2 CC(=O)[O-] S431680 [1,0,0,0,0,0|1,0,2]=4 673 B3R0.2 CC(=O)[O-] S434883 [1,0,0,0,0,0|1,0,2]=4 674 B3R0.2 CC(=O)[O-] T303317 [1,0,0,0,0,0|1,0,2]=4 675 B3R0.2 CC(=O)[O-] T304247 [1,0,0,0,0,0|1,0,2]=4 676 B3R0.2 CC(=O)[O-] T331924 [1,0,0,0,0,0|1,0,2]=4 677 B3R0.2 CC(=O)[O-] Z110777 [1,0,0,0,0,0|1,0,2]=4 678 B3R0.2 CC(=O)[O-] Z110779 [1,0,0,0,0,0|1,0,2]=4 679 B3R0.2 CC(=O)[O-] Z110780 [1,0,0,0,0,0|1,0,2]=4 680 B3R0.2 CC(=O)[O-] Z110957 [1,0,0,0,0,0|1,0,2]=4 681 B3R0.2 CC(=O)[O-] Z111245 [1,0,0,0,0,0|1,0,2]=4 682 B3R0.2 CC(=O)[O-] Z119378 [1,0,0,0,0,0|1,0,2]=4 683 B3R0.2 CC(=O)[O-] Z424741 [1,0,0,0,0,0|1,0,2]=4 684 B3R0.2 CC(=O)[O-] Z424969 [1,0,0,0,0,0|1,0,2]=4 685 B3R0.2 CC(=O)[O-] Z433041 [1,0,0,0,0,0|1,0,2]=4 686 B3R0.2 CC(=O)[O-] Z434712 [1,0,0,0,0,0|1,0,2]=4 687 B3R0.2 CC(=O)[O-] Z489311 [1,0,0,0,0,0|1,0,2]=4 688 B3R0.2 CC(=S)N T104039 [1,0,0,0,0,0|1,1,1]=4 689 B3R0.2 CC(=S)N T118452 [1,0,0,0,0,0|1,1,1]=4 690 B3R0.2 CC(=S)N T425171 [1,0,0,0,0,0|1,1,1]=4 691 B3R0.2 CC(=S)[O-] P106179 [1,0,0,0,0,0|1,0,2]=4 692 B3R0.2 CC(Br)Br D155317 [1,0,0,0,0,0|2,0,0]=3 693 B3R0.2 CC(C)Br B109114 [1,0,0,0,0,0|1,0,0]=2 694 B3R0.2 CC(C)Br B109115 [1,0,0,0,0,0|1,0,0]=2 695 B3R0.2 CC(C)Br B109116 [1,0,0,0,0,0|1,0,0]=2 696 B3R0.2 CC(C)Br B472006 [1,0,0,0,0,0|1,0,0]=2 697 B3R0.2 CC(C)I I105794 [1,0,0,0,0,0|1,0,0]=2 698 B3R0.2 CC(C)N I157489 [1,0,0,0,0,0|1,0,0]=2 699 B3R0.2 CC(C)N I157493 [1,0,0,0,0,0|1,0,0]=2 700 B3R0.2 CC(C)N I157656 [1,0,0,0,0,0|1,0,0]=2 701 B3R0.2 CC(C)N I492112 [1,0,0,0,0,0|1,0,0]=2 702 B3R0.2 CC(C)N I492115 [1,0,0,0,0,0|1,0,0]=2 703 B3R0.2 CC(C)O I112010 [1,0,0,0,0,0|0,0,0]=1 704 B3R0.2 CC(C)O I112011 [1,0,0,0,0,0|0,0,0]=1 705 B3R0.2 CC(C)O I112012 [1,0,0,0,0,0|0,0,0]=1 706 B3R0.2 CC(C)O I112014 [1,0,0,0,0,0|0,0,0]=1 707 B3R0.2 CC(C)O I112015 [1,0,0,0,0,0|0,0,0]=1 708 B3R0.2 CC(C)O I112016 [1,0,0,0,0,0|0,0,0]=1 709 B3R0.2 CC(C)O I112018 [1,0,0,0,0,0|0,0,0]=1 710 B3R0.2 CC(C)O I112020 [1,0,0,0,0,0|0,0,0]=1 711 B3R0.2 CC(C)O I112021 [1,0,0,0,0,0|0,0,0]=1 712 B3R0.2 CC(C)O I112023 [1,0,0,0,0,0|0,0,0]=1 713 B3R0.2 CC(C)O I119459 [1,0,0,0,0,0|0,0,0]=1 714 B3R0.2 CC(C)O I292350 [1,0,0,0,0,0|0,0,0]=1 715 B3R0.2 CC(C)O I434894 [1,0,0,0,0,0|0,0,0]=1 716 B3R0.2 CC(C)O P123720 [1,0,0,0,0,0|0,0,0]=1 717 B3R0.2 CC(C)O P433289 [1,0,0,0,0,0|0,0,0]=1 718 B3R0.2 CC(C)O T162313 [1,0,0,0,0,0|0,0,0]=1 719 B3R0.2 CC(C)O Z302920 [1,0,0,0,0,0|0,0,0]=1 720 B3R0.2 CC(C)S P106796 [1,0,0,0,0,0|0,1,0]=2 721 B3R0.2 CC(C)[CH2-] I114513 [1,0,0,0,0,0|1,0,0]=2 722 B3R0.2 CC(C)[O-] A432901 [1,0,0,0,0,0|0,0,1]=2 723 B3R0.2 CC(C)[O-] C340767 [1,0,0,0,0,0|0,0,1]=2 724 B3R0.2 CC(C)[O-] D283500 [1,0,0,0,0,0|0,0,1]=2 725 B3R0.2 CC(C)[O-] G474536 [1,0,0,0,0,0|0,0,1]=2 726 B3R0.2 CC(C)[O-] L432359 [1,0,0,0,0,0|0,0,1]=2 727 B3R0.2 CC(C)[O-] T105735 [1,0,0,0,0,0|0,0,1]=2 728 B3R0.2 CC(C)[O-] T105736 [1,0,0,0,0,0|0,0,1]=2 729 B3R0.2 CC(C)[O-] Y162990 [1,0,0,0,0,0|0,0,1]=2 730 B3R0.2 CC(C)[O-] Y162991 [1,0,0,0,0,0|0,0,1]=2 731 B3R0.2 CC(Cl)Cl D119825 [1,0,0,0,0,0|2,0,0]=3 732 B3R0.2 CC(Cl)Cl D128120 [1,0,0,0,0,0|2,0,0]=3 733 B3R0.2 CN(C)C S189107 [1,0,0,0,0,0|2,0,0]=3 734 B3R0.2 CN(C)C T103833 [1,0,0,0,0,0|2,0,0]=3 735 B3R0.2 CN(C)C T108428 [1,0,0,0,0,0|2,0,0]=3 736 B3R0.2 CN(C)C T141101 [1,0,0,0,0,0|2,0,0]=3 737 B3R0.2 CN(C)C T298722 [1,0,0,0,0,0|2,0,0]=3 738 B3R0.2 CN(C)C T474133 [1,0,0,0,0,0|2,0,0]=3 739 B3R0.2 CN(C)C T493407 [1,0,0,0,0,0|2,0,0]=3 740 B3R0.2 CP(C)C D138420 [1,0,0,0,0,0|2,0,0]=3 741 B3R0.2 CP(C)O H283157 [1,0,0,0,0,0|1,0,0]=2 742 B3R0.2 CS(=O)C D103271 [1,0,0,0,0,0|1,0,1]=3 743 B3R0.2 CS(=O)C D103272 [1,0,0,0,0,0|1,0,1]=3 744 B3R0.2 CS(=O)C D103273 [1,0,0,0,0,0|1,0,1]=3 745 B3R0.2 CS(=O)C D103274 [1,0,0,0,0,0|1,0,1]=3 746 B3R0.2 CS(=O)C D103276 [1,0,0,0,0,0|1,0,1]=3 747 B3R0.2 CS(=O)C D103277 [1,0,0,0,0,0|1,0,1]=3 748 B3R0.2 CS(=O)C D103278 [1,0,0,0,0,0|1,0,1]=3 749 B3R0.2 CS(=O)C D103280 [1,0,0,0,0,0|1,0,1]=3 750 B3R0.2 CS(=O)C D103281 [1,0,0,0,0,0|1,0,1]=3 751 B3R0.2 CS(=O)C D103283 [1,0,0,0,0,0|1,0,1]=3 752 B3R0.2 CS(=O)C D106263 [1,0,0,0,0,0|1,0,1]=3 753 B3R0.2 CS(=O)C D106264 [1,0,0,0,0,0|1,0,1]=3 754 B3R0.2 CS(=O)C D106265 [1,0,0,0,0,0|1,0,1]=3 755 B3R0.2 CS(=O)C D106266 [1,0,0,0,0,0|1,0,1]=3 756 B3R0.2 CS(=O)C D274279 [1,0,0,0,0,0|1,0,1]=3 757 B3R0.2 CS(=O)C D432337 [1,0,0,0,0,0|1,0,1]=3 758 B3R0.2 CS(=O)C D433293 [1,0,0,0,0,0|1,0,1]=3 759 B3R0.2 CS(=O)C D591066 [1,0,0,0,0,0|1,0,1]=3 760 B3R0.2 CS(=O)C D615712 [1,0,0,0,0,0|1,0,1]=3 761 B3R0.2 CS(=O)Cl M589856 [1,0,0,0,0,0|2,0,1]=4 762 B3R0.2 CS(=O)[O-] S161089 [1,0,0,0,0,0|2,0,1]=4 763 B3R0.2 C[Al](C)Cl D468609 [1,0,0,0,0,0|2,0,0]=3 764 B3R0.2 C[C-](C)C B109777 [1,0,0,0,0,0|1,0,1]=3 765 B3R0.2 C[C-](C)C T433023 [1,0,0,0,0,0|1,0,1]=3 766 B3R0.2 C[N+](=C)C N159555 [1,0,0,0,0,0|2,0,0]=3 767 B3R0.2 C[N+](=O)[O-] N102268 [1,0,0,0,0,0|2,0,1]=4 768 B3R0.2 C[N+](=O)[O-] N109661 [1,0,0,0,0,0|2,0,1]=4 769 B3R0.2 C[N+](=O)[O-] N109662 [1,0,0,0,0,0|2,0,1]=4 770 B3R0.2 C[N+](=O)[O-] N109664 [1,0,0,0,0,0|2,0,1]=4 771 B3R0.2 C[N+](=O)[O-] N109665 [1,0,0,0,0,0|2,0,1]=4 772 B3R0.2 C[N+](=O)[O-] N109666 [1,0,0,0,0,0|2,0,1]=4 773 B3R0.2 C[N+](=O)[O-] N119666 [1,0,0,0,0,0|2,0,1]=4 774 B3R0.2 C[P+](=O)C D282017 [1,0,0,0,0,0|1,0,1]=3 775 B3R0.2 C[S+](C)Br B152953 [1,0,0,0,0,0|2,0,0]=3 776 B3R0.2 C[S+](C)C T107247 [1,0,0,0,0,0|2,0,0]=3 777 B3R0.2 C[S+](C)C T113600 [1,0,0,0,0,0|2,0,0]=3 778 B3R0.2 C[S+](C)C T162037 [1,0,0,0,0,0|2,0,0]=3 779 B3R0.2 C[Si](=O)C P195721 [1,0,0,0,0,0|0,1,1]=3 780 B3R0.2 C[Si](Cl)Cl D111128 [1,0,0,0,0,0|2,1,0]=4 781 B3R0.2 C[Sn](C)C H157321 [1,0,0,0,0,0|2,0,0]=3 782 B3R0.2 C[Sn](C)C H489060 [1,0,0,0,0,0|2,0,0]=3 783 B3R0.2 C[Sn](C)C T283454 [1,0,0,0,0,0|2,0,0]=3 784 B3R0.2 OI(=O)=O I104593 [1,0,0,0,0,0|3,0,0]=4 785 B3R0.2 OI(=O)=O I104594 [1,0,0,0,0,0|3,0,0]=4 786 B3R0.2 OI(=O)=O I104595 [1,0,0,0,0,0|3,0,0]=4 787 B3R0.2 OI(=O)=O P101302 [1,0,0,0,0,0|3,0,0]=4 788 B3R0.2 OI(=O)=O P101306 [1,0,0,0,0,0|3,0,0]=4 789 B3R0.2 OP(=O)=O P100468 [1,0,0,0,0,0|3,0,0]=4 790 B3R0.2 OP([O-])[O-] S104542 [1,0,0,0,0,0|3,0,0]=4 791 B3R0.2 OS(=O)O S112653 [1,0,0,0,0,0|3,0,0]=4 792 B3R0.2 OS(=O)O S112654 [1,0,0,0,0,0|3,0,0]=4 793 B3R0.2 OS(=O)O S615687 [1,0,0,0,0,0|3,0,0]=4 794 B3R0.2 OS(=O)[O-] A302082 [1,0,0,0,0,0|3,0,0]=4 795 B3R0.2 OS(=O)[O-] S111720 [1,0,0,0,0,0|3,0,0]=4 796 B3R0.2 OS(=O)[O-] S111722 [1,0,0,0,0,0|3,0,0]=4 797 B3R0.2 OS(=O)[O-] S111723 [1,0,0,0,0,0|3,0,0]=4 798 B3R0.2 OS(=O)[O-] S598869 [1,0,0,0,0,0|3,0,0]=4 799 B3R0.2 O[Ti](=O)[O-] L404110 [1,0,0,0,0,0|3,0,0]=4 800 B3R0.2 [N+](=O)(O)[O-] A117713 [1,0,0,0,0,0|3,0,0]=4 801 B3R0.2 [N+](=O)(O)[O-] A117714 [1,0,0,0,0,0|3,0,0]=4 802 B3R0.2 [N+](=O)(O)[O-] A117715 [1,0,0,0,0,0|3,0,0]=4 803 B3R0.2 [N+](=O)(O)[O-] A117716 [1,0,0,0,0,0|3,0,0]=4 804 B3R0.2 [N+](=O)(O)[O-] A117717 [1,0,0,0,0,0|3,0,0]=4 805 B3R0.2 [N+](=O)(O)[O-] A117719 [1,0,0,0,0,0|3,0,0]=4 806 B3R0.2 [N+](=O)(O)[O-] N116240 [1,0,0,0,0,0|3,0,0]=4 807 B3R0.2 [N+](=O)(O)[O-] N116241 [1,0,0,0,0,0|3,0,0]=4 808 B3R0.2 [N+](=O)(O)[O-] N116242 [1,0,0,0,0,0|3,0,0]=4 809 B3R0.2 [N+](=O)(O)[O-] N116243 [1,0,0,0,0,0|3,0,0]=4 810 B3R0.2 [N+](=O)(O)[O-] N116244 [1,0,0,0,0,0|3,0,0]=4 811 B3R0.2 [N+](=O)(O)[O-] N116245 [1,0,0,0,0,0|3,0,0]=4 812 B3R0.2 [N+](=O)(O)[O-] N121305 [1,0,0,0,0,0|3,0,0]=4 813 B3R0.2 [N+](=O)(O)[O-] N197229 [1,0,0,0,0,0|3,0,0]=4 814 B3R0.2 [N+](=O)(O)[O-] N291980 [1,0,0,0,0,0|3,0,0]=4 815 B3R0.2 [N+](=O)(O)[O-] N401565 [1,0,0,0,0,0|3,0,0]=4 816 B3R0.2 [N+](=O)(O)[O-] N433819 [1,0,0,0,0,0|3,0,0]=4 817 B3R0.2 [N+](=O)(O)[O-] N639640 [1,0,0,0,0,0|3,0,0]=4 818 B5R0.1 B(CCC)(O)O P120303 [0,1,0,0,0,0|2,0,0]=3 819 B5R0.1 C#CCC(=O)O B168856 [0,1,0,0,0,0|1,0,2]=4 820 B5R0.1 C(C#N)C(=O)O C105698 [0,1,0,0,0,0|1,0,2]=4 821 B5R0.1 C(C(=O)O)ON C109697 [0,1,0,0,0,0|2,0,1]=4 822 B5R0.1 C(CBr)C(=O)Cl B135557 [0,1,0,0,0,0|1,0,2]=4 823 B5R0.1 C(CBr)C(=O)N B152335 [0,1,0,0,0,0|1,0,2]=4 824 B5R0.1 C(CBr)C(=O)O B106081 [0,1,0,0,0,0|1,0,1]=3 825 B5R0.1 C(CCl)C(=O)Cl C109466 [0,1,0,0,0,0|1,0,2]=4 826 B5R0.1 C(CCl)C(=O)N C171099 [0,1,0,0,0,0|1,0,2]=4 827 B5R0.1 C(CCl)C(=O)O C106515 [0,1,0,0,0,0|1,0,1]=3 828 B5R0.1 C(CI)C(=O)O I157542 [0,1,0,0,0,0|1,0,1]=3 829 B5R0.1 C(CN)C(=O)N B135870 [0,1,0,0,0,0|1,0,2]=4 830 B5R0.1 C(CN)C(=O)O A105703 [0,1,0,0,0,0|1,0,1]=3 831 B5R0.1 C(CN)C(=O)O A137901 [0,1,0,0,0,0|1,0,1]=3 832 B5R0.1 C(CN)C(=O)O A494514 [0,1,0,0,0,0|1,0,1]=3 833 B5R0.1 C(CO)C(=O)O H136635 [0,1,0,0,0,0|1,0,1]=3 834 B5R0.1 C(CO)[N+](=O)[O-] N110256 [0,1,0,0,0,0|2,0,1]=4 835 B5R0.1 C(CS(=O)O)N H303371 [0,1,0,0,0,0|2,0,0]=3 836 B5R0.1 C(CS)C(=O)O M103035 [0,1,0,0,0,0|1,0,1]=3 837 B5R0.1 C(CS)C(=O)O M103036 [0,1,0,0,0,0|1,0,1]=3 838 B5R0.1 C(CS)C(=O)O M590994 [0,1,0,0,0,0|1,0,1]=3 839 B5R0.1 C=CCC(=O)O B152769 [0,1,0,0,0,0|1,0,2]=4 840 B5R0.1 C=CCC(=O)O B152771 [0,1,0,0,0,0|1,0,2]=4 841 B5R0.1 CC#CC(=O)O B113384 [0,1,0,0,0,0|1,0,2]=4 842 B5R0.1 CC#CC(C)C M157953 [0,1,0,0,0,0|1,0,1]=3 843 B5R0.1 CC(=C)CCO M158231 [0,1,0,0,0,0|1,0,1]=3 844 B5R0.1 CC(=CCBr)C D104495 [0,1,0,0,0,0|1,0,2]=4 845 B5R0.1 CC(=CCBr)C D104497 [0,1,0,0,0,0|1,0,2]=4 846 B5R0.1 CC(=CCCl)C C189147 [0,1,0,0,0,0|1,0,2]=4 847 B5R0.1 CC(=CCCl)C C638572 [0,1,0,0,0,0|1,0,2]=4 848 B5R0.1 CC(=CCO)C M106454 [0,1,0,0,0,0|1,0,2]=4 849 B5R0.1 CC(=CCO)C M106455 [0,1,0,0,0,0|1,0,2]=4 850 B5R0.1 CC(=O)CCO H106330 [0,1,0,0,0,0|0,0,2]=3 851 B5R0.1 CC(=O)COC M158844 [0,1,0,0,0,0|0,0,2]=3 852 B5R0.1 CC(=O)NCO A151630 [0,1,0,0,0,0|1,0,2]=4 853 B5R0.1 CC(=O)OCBr B122544 [0,1,0,0,0,0|1,0,2]=4 854 B5R0.1 CC(=O)OCCl C194261 [0,1,0,0,0,0|1,0,2]=4 855 B5R0.1 CC(C)CC#C M157952 [0,1,0,0,0,0|1,0,1]=3 856 B5R0.1 CC(C)CC#N I137312 [0,1,0,0,0,0|1,0,1]=3 857 B5R0.1 CC(C)CC=C M158219 [0,1,0,0,0,0|1,0,1]=3 858 B5R0.1 CC(C)CC=O I103729 [0,1,0,0,0,0|1,0,1]=3 859 B5R0.1 CC(C)CC=O I103733 [0,1,0,0,0,0|1,0,1]=3 860 B5R0.1 CC(C)CCBr I109279 [0,1,0,0,0,0|1,0,0]=2 861 B5R0.1 CC(C)CCCl C105682 [0,1,0,0,0,0|1,0,0]=2 862 B5R0.1 CC(C)CCI I100674 [0,1,0,0,0,0|1,0,0]=2 863 B5R0.1 CC(C)CCN I109581 [0,1,0,0,0,0|1,0,0]=2 864 B5R0.1 CC(C)CCN I404590 [0,1,0,0,0,0|1,0,0]=2 865 B5R0.1 CC(C)CCO M116196 [0,1,0,0,0,0|1,0,0]=2 866 B5R0.1 CC(C)CCO M116197 [0,1,0,0,0,0|1,0,0]=2 867 B5R0.1 CC(C)CCO M116198 [0,1,0,0,0,0|1,0,0]=2 868 B5R0.1 CC(C)CCO M116200 [0,1,0,0,0,0|1,0,0]=2 869 B5R0.1 CC(C)CCO M116201 [0,1,0,0,0,0|1,0,0]=2 870 B5R0.1 CC(C)CCO M119838 [0,1,0,0,0,0|1,0,0]=2 871 B5R0.1 CC(C)CCS M101609 [0,1,0,0,0,0|1,0,0]=2 872 B5R0.1 CC(C)CNN I588327 [0,1,0,0,0,0|2,0,0]=3 873 B5R0.1 CC(C)C[Zn]Br I465880 [0,1,0,0,0,0|2,0,0]=3 874 B5R0.1 CC(C)N=C=S I138525 [0,1,0,0,0,0|2,0,1]=4 875 B5R0.1 CC(C)OC=O I112304 [0,1,0,0,0,0|2,0,1]=4 876 B5R0.1 CC(C)OCCl C189120 [0,1,0,0,0,0|2,0,0]=3 877 B5R0.1 CC(C)SC#N I349763 [0,1,0,0,0,0|2,0,1]=4 878 B5R0.1 CC(CC#C)O P160660 [0,1,0,0,0,0|0,0,1]=2 879 B5R0.1 CC(CC=C)O P160534 [0,1,0,0,0,0|0,0,1]=2 880 B5R0.1 CC(CC=C)O R467366 [0,1,0,0,0,0|0,0,1]=2 881 B5R0.1 CC(CC=C)O S467331 [0,1,0,0,0,0|0,0,1]=2 882 B5R0.1 CC(CCBr)Br D155315 [0,1,0,0,0,0|1,0,0]=2 883 B5R0.1 CC(CCBr)O B589640 [0,1,0,0,0,0|0,0,0]=1 884 B5R0.1 CC(CCCl)Cl D155308 [0,1,0,0,0,0|1,0,0]=2 885 B5R0.1 CC(CCO)N A123608 [0,1,0,0,0,0|1,0,0]=2 886 B5R0.1 CC(CCO)N A183438 [0,1,0,0,0,0|1,0,0]=2 887 B5R0.1 CC(CCO)N S176942 [0,1,0,0,0,0|1,0,0]=2 888 B5R0.1 CC(CCO)O B111016 [0,1,0,0,0,0|0,0,0]=1 889 B5R0.1 CC(CCO)O B111017 [0,1,0,0,0,0|0,0,0]=1 890 B5R0.1 CC(CCO)O B111018 [0,1,0,0,0,0|0,0,0]=1 891 B5R0.1 CC(CCO)O B119672 [0,1,0,0,0,0|0,0,0]=1 892 B5R0.1 CC(CCO)O R160960 [0,1,0,0,0,0|0,0,0]=1 893 B5R0.1 CC(CCO)O S138551 [0,1,0,0,0,0|0,0,0]=1 894 B5R0.1 CC(CNC)O M587581 [0,1,0,0,0,0|0,0,0]=1 895 B5R0.1 CC(COC)N M169973 [0,1,0,0,0,0|1,0,0]=2 896 B5R0.1 CC(COC)N S475332 [0,1,0,0,0,0|1,0,0]=2 897 B5R0.1 CC(COC)N S586466 [0,1,0,0,0,0|1,0,0]=2 898 B5R0.1 CC(COC)O M105264 [0,1,0,0,0,0|0,0,0]=1 899 B5R0.1 CC(COC)O M105265 [0,1,0,0,0,0|0,0,0]=1 900 B5R0.1 CC(COC)O M105266 [0,1,0,0,0,0|0,0,0]=1 901 B5R0.1 CC(COC)O M299436 [0,1,0,0,0,0|0,0,0]=1 902 B5R0.1 CC(COC)O R160841 [0,1,0,0,0,0|0,0,0]=1 903 B5R0.1 CC(COC)O S161357 [0,1,0,0,0,0|0,0,0]=1 904 B5R0.1 CC=CC(=O)C P139100 [0,1,0,0,0,0|0,0,3]=4 905 B5R0.1 CC=CC(=O)O C104149 [0,1,0,0,0,0|1,0,2]=4 906 B5R0.1 CC=CC(=O)O C104150 [0,1,0,0,0,0|1,0,2]=4 907 B5R0.1 CC=CC(C)C M158236 [0,1,0,0,0,0|1,0,1]=3 908 B5R0.1 CC=CC(C)C T162379 [0,1,0,0,0,0|1,0,1]=3 909 B5R0.1 CCC=C(C)C M158233 [0,1,0,0,0,0|1,0,1]=3 910 B5R0.1 CCCC(=C)C M158211 [0,1,0,0,0,0|1,0,1]=3 911 B5R0.1 CCCC(=O)C P103780 [0,1,0,0,0,0|0,0,2]=3 912 B5R0.1 CCCC(=O)C P103781 [0,1,0,0,0,0|0,0,2]=3 913 B5R0.1 CCCC(=O)C P103782 [0,1,0,0,0,0|0,0,2]=3 914 B5R0.1 CCCC(=O)C P103783 [0,1,0,0,0,0|0,0,2]=3 915 B5R0.1 CCCC(=O)Cl B108666 [0,1,0,0,0,0|1,0,2]=4 916 B5R0.1 CCCC(=O)N B152329 [0,1,0,0,0,0|1,0,2]=4 917 B5R0.1 CCCC(=O)O B110438 [0,1,0,0,0,0|1,0,1]=3 918 B5R0.1 CCCC(=O)O B110439 [0,1,0,0,0,0|1,0,1]=3 919 B5R0.1 CCCC(=O)O B110440 [0,1,0,0,0,0|1,0,1]=3 920 B5R0.1 CCCC(=O)O B110442 [0,1,0,0,0,0|1,0,1]=3 921 B5R0.1 CCCC(=O)O B274612 [0,1,0,0,0,0|1,0,1]=3 922 B5R0.1 CCCC(=O)O B431361 [0,1,0,0,0,0|1,0,1]=3 923 B5R0.1 CCCC(=O)[O-] S102954 [0,1,0,0,0,0|1,0,2]=4 924 B5R0.1 CCCC(=O)[O-] S102956 [0,1,0,0,0,0|1,0,2]=4 925 B5R0.1 CCCC(=O)[O-] S346178 [0,1,0,0,0,0|1,0,2]=4 926 B5R0.1 CCCC(=O)[O-] S421873 [0,1,0,0,0,0|1,0,2]=4 927 B5R0.1 CCCC(C)Br B400517 [0,1,0,0,0,0|1,0,0]=2 928 B5R0.1 CCCC(C)C I157548 [0,1,0,0,0,0|1,0,0]=2 929 B5R0.1 CCCC(C)C M105775 [0,1,0,0,0,0|1,0,0]=2 930 B5R0.1 CCCC(C)C M105776 [0,1,0,0,0,0|1,0,0]=2 931 B5R0.1 CCCC(C)C M105777 [0,1,0,0,0,0|1,0,0]=2 932 B5R0.1 CCCC(C)C M105778 [0,1,0,0,0,0|1,0,0]=2 933 B5R0.1 CCCC(C)C M137744 [0,1,0,0,0,0|1,0,0]=2 934 B5R0.1 CCCC(C)Cl C467357 [0,1,0,0,0,0|1,0,0]=2 935 B5R0.1 CCCC(C)N A151353 [0,1,0,0,0,0|1,0,0]=2 936 B5R0.1 CCCC(C)O P103442 [0,1,0,0,0,0|0,0,0]=1 937 B5R0.1 CCCC(C)O P103443 [0,1,0,0,0,0|0,0,0]=1 938 B5R0.1 CCCC(C)O R138651 [0,1,0,0,0,0|0,0,0]=1 939 B5R0.1 CCCC(C)O S138580 [0,1,0,0,0,0|0,0,0]=1 940 B5R0.1 CCCN(C)C N404354 [0,1,0,0,0,0|2,0,0]=3 941 B5R0.1 CCC[N+](=O)[O-] N109053 [0,1,0,0,0,0|2,0,1]=4 942 B5R0.1 CCNC(=O)C I135660 [0,1,0,0,0,0|0,0,2]=3 943 B5R0.1 CCNC(=O)N E105944 [0,1,0,0,0,0|1,0,2]=4 944 B5R0.1 CCNC(=S)N E346726 [0,1,0,0,0,0|1,1,1]=4 945 B5R0.1 CCNC(C)C N159098 [0,1,0,0,0,0|1,0,0]=2 946 B5R0.1 CCOC(=N)C E132730 [0,1,0,0,0,0|1,0,1]=3 947 B5R0.1 CCOC(=N)N O183619 [0,1,0,0,0,0|2,0,1]=4 948 B5R0.1 CCOC(=O)C E116131 [0,1,0,0,0,0|0,0,2]=3 949 B5R0.1 CCOC(=O)C E116132 [0,1,0,0,0,0|0,0,2]=3 950 B5R0.1 CCOC(=O)C E116133 [0,1,0,0,0,0|0,0,2]=3 951 B5R0.1 CCOC(=O)C E116134 [0,1,0,0,0,0|0,0,2]=3 952 B5R0.1 CCOC(=O)C E116135 [0,1,0,0,0,0|0,0,2]=3 953 B5R0.1 CCOC(=O)C E116136 [0,1,0,0,0,0|0,0,2]=3 954 B5R0.1 CCOC(=O)C E116137 [0,1,0,0,0,0|0,0,2]=3 955 B5R0.1 CCOC(=O)C E116138 [0,1,0,0,0,0|0,0,2]=3 956 B5R0.1 CCOC(=O)C E116139 [0,1,0,0,0,0|0,0,2]=3 957 B5R0.1 CCOC(=O)C E116141 [0,1,0,0,0,0|0,0,2]=3 958 B5R0.1 CCOC(=O)C E116142 [0,1,0,0,0,0|0,0,2]=3 959 B5R0.1 CCOC(=O)C E119698 [0,1,0,0,0,0|0,0,2]=3 960 B5R0.1 CCOC(=O)C E141165 [0,1,0,0,0,0|0,0,2]=3 961 B5R0.1 CCOC(=O)C E302266 [0,1,0,0,0,0|0,0,2]=3 962 B5R0.1 CCOC(=O)C E432070 [0,1,0,0,0,0|0,0,2]=3 963 B5R0.1 CCOC(=O)N C266075 [0,1,0,0,0,0|1,0,2]=4 964 B5R0.1 CCOC(=O)N E424443 [0,1,0,0,0,0|1,0,2]=4 965 B5R0.1 CCOC(=O)N U108629 [0,1,0,0,0,0|1,0,2]=4 966 B5R0.1 CCOC(=O)N U299635 [0,1,0,0,0,0|1,0,2]=4 967 B5R0.1 CCOC(=S)[S-] P110999 [0,1,0,0,0,0|1,1,1]=4 968 B5R0.1 CCOC(=S)[S-] P111000 [0,1,0,0,0,0|1,1,1]=4 969 B5R0.1 CCOC(=S)[S-] S161075 [0,1,0,0,0,0|1,1,1]=4 970 B5R0.1 CCOC(=S)[S-] S298709 [0,1,0,0,0,0|1,1,1]=4 971 B5R0.1 CCO[Si](=O)O E302202 [0,1,0,0,0,0|1,1,0]=3 972 B5R0.1 CCO[Si](C)C D191031 [0,1,0,0,0,0|1,1,0]=3 973 B5R0.1 CCSC(=N)N S161123 [0,1,0,0,0,0|2,0,1]=4 974 B5R0.1 CCSC(=O)C E107950 [0,1,0,0,0,0|0,0,2]=3 975 B5R0.1 CCSC(=S)C E338928 [0,1,0,0,0,0|0,1,1]=3 976 B5R0.1 CN(C)CC#C N159655 [0,1,0,0,0,0|2,0,1]=4 977 B5R0.1 CN(C)CC=C D117859 [0,1,0,0,0,0|2,0,1]=4 978 B5R0.1 CN(C)CC=O D587172 [0,1,0,0,0,0|2,0,1]=4 979 B5R0.1 CN(C)CCBr B183437 [0,1,0,0,0,0|2,0,0]=3 980 B5R0.1 CN(C)CCN D105347 [0,1,0,0,0,0|2,0,0]=3 981 B5R0.1 CN(C)CCN N404297 [0,1,0,0,0,0|2,0,0]=3 982 B5R0.1 CN(C)CCN N404298 [0,1,0,0,0,0|2,0,0]=3 983 B5R0.1 CN(C)CCO D109078 [0,1,0,0,0,0|2,0,0]=3 984 B5R0.1 CN(C)CCO D109079 [0,1,0,0,0,0|2,0,0]=3 985 B5R0.1 CN(C)CCO D109080 [0,1,0,0,0,0|2,0,0]=3 986 B5R0.1 CNCC(=O)N S115899 [0,1,0,0,0,0|1,0,2]=4 987 B5R0.1 CNCC(=O)O S102891 [0,1,0,0,0,0|1,0,1]=3 988 B5R0.1 CNCC(=O)O S113893 [0,1,0,0,0,0|1,0,1]=3 989 B5R0.1 CNCC(=O)O S420541 [0,1,0,0,0,0|1,0,1]=3 990 B5R0.1 CNCC(=O)[O-] S189142 [0,1,0,0,0,0|1,0,2]=4 991 B5R0.1 COCC(=O)Cl M124203 [0,1,0,0,0,0|1,0,2]=4 992 B5R0.1 COCC(=O)O M158057 [0,1,0,0,0,0|1,0,1]=3 993 B5R0.1 CSCC(=O)N M158330 [0,1,0,0,0,0|1,0,2]=4 994 B5R0.1 CSCC(=O)O M168970 [0,1,0,0,0,0|1,0,1]=3 995 B5R0.1 CSCS(=O)C M158415 [0,1,0,0,0,0|1,0,1]=3 996 B5R0.3 C(C(=O)CBr)Br D139292 [0,1,0,0,0,0|1,0,2]=4 997 B5R0.3 C(C(C=O)O)O D134978 [0,1,0,0,0,0|1,0,1]=3 998 B5R0.3 C(C(C=O)O)O D589509 [0,1,0,0,0,0|1,0,1]=3 999 B5R0.3 C(C(C=O)O)O S138916 [0,1,0,0,0,0|1,0,1]=3 1000 B5R0.3 C(C(CBr)Br)Br T109520 [0,1,0,0,0,0|2,0,0]=3 1001 B5R0.3 C(C(CBr)Br)Cl D469912 [0,1,0,0,0,0|2,0,0]=3 1002 B5R0.3 C(C(CBr)Br)N D487237 [0,1,0,0,0,0|2,0,0]=3 1003 B5R0.3 C(C(CBr)Br)O D154495 [0,1,0,0,0,0|2,0,0]=3 1004 B5R0.3 C(C(CBr)O)Br D100260 [0,1,0,0,0,0|1,0,0]=2 1005 B5R0.3 C(C(CBr)O)O B133715 [0,1,0,0,0,0|1,0,0]=2 1006 B5R0.3 C(C(CCl)Cl)Cl T128156 [0,1,0,0,0,0|2,0,0]=3 1007 B5R0.3 C(C(CCl)Cl)O D154496 [0,1,0,0,0,0|2,0,0]=3 1008 B5R0.3 C(C(CCl)O)Cl D110862 [0,1,0,0,0,0|1,0,0]=2 1009 B5R0.3 C(C(CCl)O)Cl D110863 [0,1,0,0,0,0|1,0,0]=2 1010 B5R0.3 C(C(CCl)O)Cl D357372 [0,1,0,0,0,0|1,0,0]=2 1011 B5R0.3 C(C(CCl)O)N S192900 [0,1,0,0,0,0|1,0,0]=2 1012 B5R0.3 C(C(CCl)O)O C106058 [0,1,0,0,0,0|1,0,0]=2 1013 B5R0.3 C(C(CCl)O)O C106059 [0,1,0,0,0,0|1,0,0]=2 1014 B5R0.3 C(C(CCl)O)O C356973 [0,1,0,0,0,0|1,0,0]=2 1015 B5R0.3 C(C(CF)O)F D170430 [0,1,0,0,0,0|1,0,0]=2 1016 B5R0.3 C(C(CN)O)N D121823 [0,1,0,0,0,0|1,0,0]=2 1017 B5R0.3 C(C(CO)N)O A100952 [0,1,0,0,0,0|2,0,0]=3 1018 B5R0.3 C(C(CO)N)O A101351 [0,1,0,0,0,0|2,0,0]=3 1019 B5R0.3 C(C(CO)O)N A101946 [0,1,0,0,0,0|1,0,0]=2 1020 B5R0.3 C(C(CO)O)N A103187 [0,1,0,0,0,0|1,0,0]=2 1021 B5R0.3 C(C(CO)O)N A107504 [0,1,0,0,0,0|1,0,0]=2 1022 B5R0.3 C(C(CO)O)O G116202 [0,1,0,0,0,0|1,0,0]=2 1023 B5R0.3 C(C(CO)O)O G116203 [0,1,0,0,0,0|1,0,0]=2 1024 B5R0.3 C(C(CO)O)O G116205 [0,1,0,0,0,0|1,0,0]=2 1025 B5R0.3 C(C(CO)O)O G116206 [0,1,0,0,0,0|1,0,0]=2 1026 B5R0.3 C(C(CO)O)O G116208 [0,1,0,0,0,0|1,0,0]=2 1027 B5R0.3 C(C(CO)O)O G116209 [0,1,0,0,0,0|1,0,0]=2 1028 B5R0.3 C(C(CO)O)O G116213 [0,1,0,0,0,0|1,0,0]=2 1029 B5R0.3 C(C(CO)O)O G116214 [0,1,0,0,0,0|1,0,0]=2 1030 B5R0.3 C(C(CO)O)O G116215 [0,1,0,0,0,0|1,0,0]=2 1031 B5R0.3 C(C(CO)O)O G117555 [0,1,0,0,0,0|1,0,0]=2 1032 B5R0.3 C(C(CO)O)O G117556 [0,1,0,0,0,0|1,0,0]=2 1033 B5R0.3 C(C(CO)O)O G294877 [0,1,0,0,0,0|1,0,0]=2 1034 B5R0.3 C(C(CO)O)O G334451 [0,1,0,0,0,0|1,0,0]=2 1035 B5R0.3 C(C(CO)O)O G424796 [0,1,0,0,0,0|1,0,0]=2 1036 B5R0.3 C(C(CO)O)O G472031 [0,1,0,0,0,0|1,0,0]=2 1037 B5R0.3 C(C(CO)O)O G474157 [0,1,0,0,0,0|1,0,0]=2 1038 B5R0.3 C(C(CS)O)O T109440 [0,1,0,0,0,0|1,0,0]=2 1039 B5R0.3 C(C(CS)O)O T109441 [0,1,0,0,0,0|1,0,0]=2 1040 B5R0.3 C(C(CS)O)O T109442 [0,1,0,0,0,0|1,0,0]=2 1041 B5R0.3 C(C(CS)O)O T141418 [0,1,0,0,0,0|1,0,0]=2 1042 B5R0.3 C(C(CS)S)O D106477 [0,1,0,0,0,0|1,1,0]=3 1043 B5R0.3 C(C(CS)S)O D424962 [0,1,0,0,0,0|1,1,0]=3 1044 B5R0.3 C=C(CCl)CCl C124660 [0,1,0,0,0,0|2,0,1]=4 1045 B5R0.3 C=C(CO)CO M158762 [0,1,0,0,0,0|1,0,2]=4 1046 B5R0.3 C=CC(C=C)O P346741 [0,1,0,0,0,0|0,0,3]=4 1047 B5R0.3 C=CC(CCl)Cl D155424 [0,1,0,0,0,0|1,0,2]=4 1048 B5R0.3 C=CC(CO)O B589259 [0,1,0,0,0,0|0,0,2]=3 1049 B5R0.3 CC(C=C)C#N M158306 [0,1,0,0,0,0|1,0,2]=4 1050 B5R0.3 CC(CN)CO A483603 [0,1,0,0,0,0|1,0,0]=2 1051 B5R0.3 CC(CO)CBr R469876 [0,1,0,0,0,0|1,0,0]=2 1052 B5R0.3 CC(CO)CBr S469920 [0,1,0,0,0,0|1,0,0]=2 1053 B5R0.3 CC(CO)CO M141411 [0,1,0,0,0,0|1,0,0]=2 1054 B5R0.3 CC(CO)OC R194193 [0,1,0,0,0,0|1,0,0]=2 1055 B5R0.3 CC(OC)OC D155919 [0,1,0,0,0,0|1,0,0]=2 1056 B5R0.3 CC=C(C)C#N M158305 [0,1,0,0,0,0|1,0,2]=4 1057 B5R0.3 CC=C(C)C=O T161495 [0,1,0,0,0,0|0,0,3]=4 1058 B5R0.3 CCC(=C)C=O E189230 [0,1,0,0,0,0|0,0,3]=4 1059 B5R0.3 CCC(=C)CC E156179 [0,1,0,0,0,0|1,0,1]=3 1060 B5R0.3 CCC(=CC)C T162381 [0,1,0,0,0,0|1,0,1]=3 1061 B5R0.3 CCC(=NO)C B105233 [0,1,0,0,0,0|0,0,1]=2 1062 B5R0.3 CCC(=NO)N P138620 [0,1,0,0,0,0|1,0,1]=3 1063 B5R0.3 CCC(=O)CC P103791 [0,1,0,0,0,0|0,0,2]=3 1064 B5R0.3 CCC(=O)CC P103792 [0,1,0,0,0,0|0,0,2]=3 1065 B5R0.3 CCC(=O)CC P103794 [0,1,0,0,0,0|0,0,2]=3 1066 B5R0.3 CCC(=O)CO H193640 [0,1,0,0,0,0|0,0,2]=3 1067 B5R0.3 CCC(=O)NC N159394 [0,1,0,0,0,0|0,0,2]=3 1068 B5R0.3 CCC(=O)NN P342062 [0,1,0,0,0,0|1,0,2]=4 1069 B5R0.3 CCC(=O)OC M110420 [0,1,0,0,0,0|0,0,2]=3 1070 B5R0.3 CCC(=O)OC M110421 [0,1,0,0,0,0|0,0,2]=3 1071 B5R0.3 CCC(=O)OC M110422 [0,1,0,0,0,0|0,0,2]=3 1072 B5R0.3 CCC(=O)OC M491732 [0,1,0,0,0,0|0,0,2]=3 1073 B5R0.3 CCC(=O)SC S404755 [0,1,0,0,0,0|0,0,2]=3 1074 B5R0.3 CCC(C#C)O P138822 [0,1,0,0,0,0|0,0,1]=2 1075 B5R0.3 CCC(C)C#N M158304 [0,1,0,0,0,0|1,0,0]=2 1076 B5R0.3 CCC(C)C=C M158226 [0,1,0,0,0,0|1,0,0]=2 1077 B5R0.3 CCC(C)C=O M158687 [0,1,0,0,0,0|0,0,1]=2 1078 B5R0.3 CCC(C)CBr B120302 [0,1,0,0,0,0|1,0,0]=2 1079 B5R0.3 CCC(C)CBr B188983 [0,1,0,0,0,0|1,0,0]=2 1080 B5R0.3 CCC(C)CC M109051 [0,1,0,0,0,0|1,0,0]=2 1081 B5R0.3 CCC(C)CC M109052 [0,1,0,0,0,0|1,0,0]=2 1082 B5R0.3 CCC(C)CCl C153548 [0,1,0,0,0,0|1,0,0]=2 1083 B5R0.3 CCC(C)CCl S160982 [0,1,0,0,0,0|1,0,0]=2 1084 B5R0.3 CCC(C)CI I157547 [0,1,0,0,0,0|1,0,0]=2 1085 B5R0.3 CCC(C)CN S467250 [0,1,0,0,0,0|1,0,0]=2 1086 B5R0.3 CCC(C)CO M106456 [0,1,0,0,0,0|0,0,0]=1 1087 B5R0.3 CCC(C)CO M106654 [0,1,0,0,0,0|0,0,0]=1 1088 B5R0.3 CCC(C)CS M103069 [0,1,0,0,0,0|0,1,0]=2 1089 B5R0.3 CCC(C)OC S161061 [0,1,0,0,0,0|0,0,0]=1 1090 B5R0.3 CCC(C=C)O P160532 [0,1,0,0,0,0|0,0,1]=2 1091 B5R0.3 CCC(CBr)Br D102336 [0,1,0,0,0,0|1,0,0]=2 1092 B5R0.3 CCC(CBr)O B152045 [0,1,0,0,0,0|0,0,0]=1 1093 B5R0.3 CCC(CC)Br B106965 [0,1,0,0,0,0|1,0,0]=2 1094 B5R0.3 CCC(CC)N A133949 [0,1,0,0,0,0|1,0,0]=2 1095 B5R0.3 CCC(CC)O P109359 [0,1,0,0,0,0|0,0,0]=1 1096 B5R0.3 CCC(CCl)Cl D155318 [0,1,0,0,0,0|1,0,0]=2 1097 B5R0.3 CCC(CN)O A151121 [0,1,0,0,0,0|0,0,0]=1 1098 B5R0.3 CCC(CO)N A106025 [0,1,0,0,0,0|1,0,0]=2 1099 B5R0.3 CCC(CO)N A107264 [0,1,0,0,0,0|1,0,0]=2 1100 B5R0.3 CCC(CO)N A107265 [0,1,0,0,0,0|1,0,0]=2 1101 B5R0.3 CCC(CO)O B153217 [0,1,0,0,0,0|0,0,0]=1 1102 B5R0.3 CCC(CO)O B300651 [0,1,0,0,0,0|0,0,0]=1 1103 B5R0.3 CCC(CO)O R160952 [0,1,0,0,0,0|0,0,0]=1 1104 B5R0.3 CCC(CO)O S161003 [0,1,0,0,0,0|0,0,0]=1 1105 B5R0.3 CCC(CS)S B152748 [0,1,0,0,0,0|0,1,0]=2 1106 B5R0.3 CCN(C)CC N159249 [0,1,0,0,0,0|2,0,0]=3 1107 B5R0.3 CCN(C)N=O N114391 [0,1,0,0,0,0|1,0,1]=3 1108 B5R0.3 CCN(CC)O D109383 [0,1,0,0,0,0|1,0,0]=2 1109 B5R0.3 CCN(CC)O N432573 [0,1,0,0,0,0|1,0,0]=2 1110 B5R0.3 CCS(=O)CC E589941 [0,1,0,0,0,0|1,0,1]=3 1111 B5R0.3 CC[P+](=O)CC D332476 [0,1,0,0,0,0|1,0,1]=3 1112 B5R0.3 CC[Si](C)CC D337339 [0,1,0,0,0,0|1,1,0]=3 1113 B5R0.3 CN(C=O)OC N588715 [0,1,0,0,0,0|2,0,1]=4 1114 B5R0.3 CNC(=O)CBr B588815 [0,1,0,0,0,0|1,0,2]=4 1115 B5R0.3 CNC(=O)CCl C124467 [0,1,0,0,0,0|1,0,2]=4 1116 B5R0.3 CNC(=O)CN A182951 [0,1,0,0,0,0|1,0,2]=4 1117 B5R0.3 CNC(=O)CS M124593 [0,1,0,0,0,0|1,0,2]=4 1118 B5R0.3 CNC(=O)NC D104702 [0,1,0,0,0,0|1,0,2]=4 1119 B5R0.3 CNC(=S)NC D154881 [0,1,0,0,0,0|1,1,1]=4 1120 B5R0.3 COC(=O)CBr M106900 [0,1,0,0,0,0|1,0,2]=4 1121 B5R0.3 COC(=O)CCl M104120 [0,1,0,0,0,0|1,0,2]=4 1122 B5R0.3 COC(=O)CCl M104121 [0,1,0,0,0,0|1,0,2]=4 1123 B5R0.3 COC(=O)CCl M305846 [0,1,0,0,0,0|1,0,2]=4 1124 B5R0.3 COC(=O)CN G105475 [0,1,0,0,0,0|1,0,2]=4 1125 B5R0.3 COC(=O)CO M101718 [0,1,0,0,0,0|1,0,2]=4 1126 B5R0.3 COC(=O)CS M103140 [0,1,0,0,0,0|1,0,2]=4 1127 B5R0.3 COC(=O)OC D110623 [0,1,0,0,0,0|1,0,2]=4 1128 B5R0.3 COC(=O)OC D110625 [0,1,0,0,0,0|1,0,2]=4 1129 B5R0.3 COC(=O)OC D119695 [0,1,0,0,0,0|1,0,2]=4 1130 B5R0.3 COC(=O)OC D294884 [0,1,0,0,0,0|1,0,2]=4 1131 B5R0.3 COC(=O)OC D433121 [0,1,0,0,0,0|1,0,2]=4 1132 B5R0.3 COC(=O)OC D433122 [0,1,0,0,0,0|1,0,2]=4 1133 B5R0.3 COC(=O)OC D433123 [0,1,0,0,0,0|1,0,2]=4 1134 B5R0.3 COS(=O)OC D106795 [0,1,0,0,0,0|2,0,1]=4 1135 B5R0.3 CO[P+](=O)OC D304802 [0,1,0,0,0,0|2,0,1]=4 1136 B5R0.3 CSC(=S)SC D349451 [0,1,0,0,0,0|1,1,1]=4 1137 B5R0.4 C(C(Br)(Br)Br)O T161626 [0,1,0,0,0,0|3,0,0]=4 1138 B5R0.4 C(C(Cl)(Cl)Cl)O T109518 [0,1,0,0,0,0|3,0,0]=4 1139 B5R0.4 C(C(F)(F)F)I T109516 [0,1,0,0,0,0|3,0,0]=4 1140 B5R0.4 C(C(F)(F)F)N T123993 [0,1,0,0,0,0|3,0,0]=4 1141 B5R0.4 C(C(F)(F)F)O T109510 [0,1,0,0,0,0|3,0,0]=4 1142 B5R0.4 C(C(F)(F)F)O T109511 [0,1,0,0,0,0|3,0,0]=4 1143 B5R0.4 C(C(F)(F)F)O T109512 [0,1,0,0,0,0|3,0,0]=4 1144 B5R0.4 C(N)P(=O)(O)O A151006 [0,1,0,0,0,0|3,0,0]=4 1145 B5R0.4 C(N)S(=O)(=O)O A101252 [0,1,0,0,0,0|3,0,0]=4 1146 B5R0.4 C(P(=O)(O)O)Cl C353112 [0,1,0,0,0,0|3,0,0]=4 1147 B5R0.4 CC(C)(C#C)Cl W132347 [0,1,0,0,0,0|1,0,2]=4 1148 B5R0.4 CC(C)(C#C)N M138627 [0,1,0,0,0,0|1,0,2]=4 1149 B5R0.4 CC(C)(C#C)O M107736 [0,1,0,0,0,0|0,0,2]=3 1150 B5R0.4 CC(C)(C#N)I I157654 [0,1,0,0,0,0|2,0,1]=4 1151 B5R0.4 CC(C)(C#N)N A184859 [0,1,0,0,0,0|2,0,1]=4 1152 B5R0.4 CC(C)(C)C#N P160477 [0,1,0,0,0,0|2,0,1]=4 1153 B5R0.4 CC(C)(C)C=C D111800 [0,1,0,0,0,0|1,0,2]=4 1154 B5R0.4 CC(C)(C)C=O T106594 [0,1,0,0,0,0|2,0,1]=4 1155 B5R0.4 CC(C)(C)C=O T639228 [0,1,0,0,0,0|2,0,1]=4 1156 B5R0.4 CC(C)(C)CBr B472553 [0,1,0,0,0,0|2,0,0]=3 1157 B5R0.4 CC(C)(C)CN D191210 [0,1,0,0,0,0|2,0,0]=3 1158 B5R0.4 CC(C)(C)CN N159082 [0,1,0,0,0,0|2,0,0]=3 1159 B5R0.4 CC(C)(C)CO D154491 [0,1,0,0,0,0|2,0,0]=3 1160 B5R0.4 CC(C)(C)N=[Ta] T283059 [0,1,0,0,0,0|3,0,0]=4 1161 B5R0.4 CC(C)(C)NC N339191 [0,1,0,0,0,0|2,0,0]=3 1162 B5R0.4 CC(C)(C)NN I135282 [0,1,0,0,0,0|3,0,0]=4 1163 B5R0.4 CC(C)(C)NO I169058 [0,1,0,0,0,0|3,0,0]=4 1164 B5R0.4 CC(C)(C)NO N159549 [0,1,0,0,0,0|3,0,0]=4 1165 B5R0.4 CC(C)(C)NO N305121 [0,1,0,0,0,0|3,0,0]=4 1166 B5R0.4 CC(C)(C)OC B108113 [0,1,0,0,0,0|2,0,0]=3 1167 B5R0.4 CC(C)(C)OC B108114 [0,1,0,0,0,0|2,0,0]=3 1168 B5R0.4 CC(C)(C)OC B108115 [0,1,0,0,0,0|2,0,0]=3 1169 B5R0.4 CC(C)(C)OC B108116 [0,1,0,0,0,0|2,0,0]=3 1170 B5R0.4 CC(C)(C)OC B108117 [0,1,0,0,0,0|2,0,0]=3 1171 B5R0.4 CC(C)(C)OC B108119 [0,1,0,0,0,0|2,0,0]=3 1172 B5R0.4 CC(C)(C)OC B108120 [0,1,0,0,0,0|2,0,0]=3 1173 B5R0.4 CC(C)(C)OC B108121 [0,1,0,0,0,0|2,0,0]=3 1174 B5R0.4 CC(C)(C)OC B119671 [0,1,0,0,0,0|2,0,0]=3 1175 B5R0.4 CC(C)(C)OC T432179 [0,1,0,0,0,0|2,0,0]=3 1176 B5R0.4 CC(C)(C)ON O135125 [0,1,0,0,0,0|3,0,0]=4 1177 B5R0.4 CC(C)(C)OO B106035 [0,1,0,0,0,0|3,0,0]=4 1178 B5R0.4 CC(C)(C)[N+]#[C-] B106836 [0,1,0,0,0,0|2,0,1]=4 1179 B5R0.4 CC(C)(C=C)O M106453 [0,1,0,0,0,0|0,0,2]=3 1180 B5R0.4 CC(C)(CBr)Br D472522 [0,1,0,0,0,0|2,0,0]=3 1181 B5R0.4 CC(C)(CBr)O B355149 [0,1,0,0,0,0|1,0,0]=2 1182 B5R0.4 CC(C)(CCl)Cl D589600 [0,1,0,0,0,0|2,0,0]=3 1183 B5R0.4 CC(C)(CCl)O C153898 [0,1,0,0,0,0|1,0,0]=2 1184 B5R0.4 CC(C)(CN)N D155077 [0,1,0,0,0,0|2,0,0]=3 1185 B5R0.4 CC(C)(CN)O A137158 [0,1,0,0,0,0|1,0,0]=2 1186 B5R0.4 CC(C)(CO)N A100592 [0,1,0,0,0,0|2,0,0]=3 1187 B5R0.4 CC(C)(CO)N A120623 [0,1,0,0,0,0|2,0,0]=3 1188 B5R0.4 CC(C)(CO)N A140833 [0,1,0,0,0,0|2,0,0]=3 1189 B5R0.4 CC(C)(CO)O M185207 [0,1,0,0,0,0|1,0,0]=2 1190 B5R0.4 CC(CN)(F)F D195429 [0,1,0,0,0,0|2,0,0]=3 1191 B5R0.4 CC(CO)(F)F D169652 [0,1,0,0,0,0|2,0,0]=3 1192 B5R0.4 CCC(C)(C)C D105772 [0,1,0,0,0,0|1,0,0]=2 1193 B5R0.4 CCC(C)(C)C D105773 [0,1,0,0,0,0|1,0,0]=2 1194 B5R0.4 CCC(C)(C)C D105774 [0,1,0,0,0,0|1,0,0]=2 1195 B5R0.4 CCC(C)(C)Cl C153545 [0,1,0,0,0,0|1,0,0]=2 1196 B5R0.4 CCC(C)(C)N T161727 [0,1,0,0,0,0|1,0,0]=2 1197 B5R0.4 CCC(C)(C)O A103416 [0,1,0,0,0,0|0,0,0]=1 1198 B5R0.4 CCC(C)(C)O A103417 [0,1,0,0,0,0|0,0,0]=1 1199 B5R0.4 CCC(C)(C)O A103418 [0,1,0,0,0,0|0,0,0]=1 1200 B5R0.4 CCC(C)(C)O A103419 [0,1,0,0,0,0|0,0,0]=1 1201 B5R0.4 CCC(C)(C)[O-] S140673 [0,1,0,0,0,0|0,0,1]=2 1202 B5R0.4 CCC(C)(C)[O-] S432125 [0,1,0,0,0,0|0,0,1]=2 1203 B5R0.4 CCC(C)(Cl)Cl D155312 [0,1,0,0,0,0|1,0,0]=2 1204 B5R0.4 CCS(=O)(=O)C E156277 [0,1,0,0,0,0|1,0,1]=3 1205 B5R0.4 CCS(=O)(=O)Cl E136203 [0,1,0,0,0,0|2,0,1]=4 1206 B5R0.4 CCS(=O)(=O)F E467402 [0,1,0,0,0,0|2,0,1]=4 1207 B5R0.4 CCS(=O)(=O)N E181678 [0,1,0,0,0,0|2,0,1]=4 1208 B5R0.4 CCS(=O)(=O)O E113372 [0,1,0,0,0,0|2,0,0]=3 1209 B5R0.4 CCS(=O)(=O)[O-] S161149 [0,1,0,0,0,0|2,0,1]=4 1210 B5R0.4 CC[N+](C)(C)C E156357 [0,1,0,0,0,0|2,0,0]=3 1211 B5R0.4 CC[Si](C)(C)Cl D155943 [0,1,0,0,0,0|1,1,0]=3 1212 B5R0.4 CC[Si](Cl)(Cl)Cl E156100 [0,1,0,0,0,0|2,1,0]=4 1213 B5R0.4 CNS(=O)(=O)C M121825 [0,1,0,0,0,0|2,0,1]=4 1214 B5R0.4 CNS(=O)(=O)O M158775 [0,1,0,0,0,0|3,0,0]=4 1215 B5R0.4 COS(=O)(=O)C M301750 [0,1,0,0,0,0|2,0,1]=4 1216 B5R0.4 CO[Si](C)(C)C M158463 [0,1,0,0,0,0|2,1,0]=4 1217 B5R0.4 CO[Si](C)(C)C M489683 [0,1,0,0,0,0|2,1,0]=4 1218 B5R0.4 CSS(=O)(=O)C S133305 [0,1,0,0,0,0|2,0,1]=4 1219 B5R0.4 C[Si](C)(C)CBr B152736 [0,1,0,0,0,0|2,1,0]=4 1220 B5R0.4 C[Si](C)(C)CCl C115785 [0,1,0,0,0,0|2,1,0]=4 1221 B5R0.4 C[Si](C)(C)CI I107729 [0,1,0,0,0,0|2,1,0]=4 1222 B5R0.4 C[Si](C)(C)CO T161625 [0,1,0,0,0,0|2,1,0]=4 1223 B5R0.4 C[Si](C)(CCl)Cl C131795 [0,1,0,0,0,0|2,1,0]=4 1224 B5R0.4 C[Si](CCl)(Cl)Cl D118557 [0,1,0,0,0,0|2,1,0]=4 1225 B5R0.4 C[Si](CCl)(Cl)Cl D118558 [0,1,0,0,0,0|2,1,0]=4 1226 B5R0.4 [B-](CC)(F)(F)F P170378 [0,1,0,0,0,0|3,0,0]=4 1227 B5R0.5 B(C(C)C)(O)O I120299 [0,1,0,0,0,0|2,0,0]=3 1228 B5R0.5 C(C(=O)O)(Br)Br D304215 [0,1,0,0,0,0|2,0,1]=4 1229 B5R0.5 C(C(=O)O)(Cl)Br B338271 [0,1,0,0,0,0|2,0,1]=4 1230 B5R0.5 C(C(=O)O)(Cl)Br K304415 [0,1,0,0,0,0|2,0,1]=4 1231 B5R0.5 C(C(=O)O)(Cl)Cl D104244 [0,1,0,0,0,0|2,0,1]=4 1232 B5R0.5 C(C(=O)O)(Cl)Cl D305467 [0,1,0,0,0,0|2,0,1]=4 1233 B5R0.5 C(C(=O)O)(Cl)Cl D472033 [0,1,0,0,0,0|2,0,1]=4 1234 B5R0.5 C(C(=O)O)(F)F D102056 [0,1,0,0,0,0|2,0,1]=4 1235 B5R0.5 C(C(Br)Br)(Br)Br T108648 [0,1,0,0,0,0|3,0,0]=4 1236 B5R0.5 C(C(Cl)Cl)(Cl)Cl C102978 [0,1,0,0,0,0|3,0,0]=4 1237 B5R0.5 C(C(Cl)Cl)(Cl)Cl C102981 [0,1,0,0,0,0|3,0,0]=4 1238 B5R0.5 C(C(Cl)Cl)(Cl)Cl T102270 [0,1,0,0,0,0|3,0,0]=4 1239 B5R0.5 CC(=C(C)C)C D107648 [0,1,0,0,0,0|1,0,2]=4 1240 B5R0.5 CC(=C)C(=C)C D155426 [0,1,0,0,0,0|1,0,2]=4 1241 B5R0.5 CC(=C)C(=O)C I107938 [0,1,0,0,0,0|0,0,3]=4 1242 B5R0.5 CC(=C)C(=O)O M102640 [0,1,0,0,0,0|1,0,2]=4 1243 B5R0.5 CC(=C)C(=O)O M102641 [0,1,0,0,0,0|1,0,2]=4 1244 B5R0.5 CC(=C)C(=O)O M102642 [0,1,0,0,0,0|1,0,2]=4 1245 B5R0.5 CC(=C)C(=O)O M434201 [0,1,0,0,0,0|1,0,2]=4 1246 B5R0.5 CC(=C)C(O)=O P477951 [0,1,0,0,0,0|1,0,2]=4 1247 B5R0.5 CC(=O)C(=O)C B104601 [0,1,0,0,0,0|0,0,3]=4 1248 B5R0.5 CC(=O)C(=O)C B104602 [0,1,0,0,0,0|0,0,3]=4 1249 B5R0.5 CC(=O)C(=O)C B104603 [0,1,0,0,0,0|0,0,3]=4 1250 B5R0.5 CC(=O)C(=O)C B432715 [0,1,0,0,0,0|0,0,3]=4 1251 B5R0.5 CC(=O)C(=O)O P104136 [0,1,0,0,0,0|1,0,2]=4 1252 B5R0.5 CC(=O)C(=O)O P104138 [0,1,0,0,0,0|1,0,2]=4 1253 B5R0.5 CC(=O)C(=O)O P421121 [0,1,0,0,0,0|1,0,2]=4 1254 B5R0.5 CC(=O)N(C)C D108094 [0,1,0,0,0,0|1,0,2]=4 1255 B5R0.5 CC(=O)N(C)C D108095 [0,1,0,0,0,0|1,0,2]=4 1256 B5R0.5 CC(=O)N(C)C D108096 [0,1,0,0,0,0|1,0,2]=4 1257 B5R0.5 CC(=O)N(C)C D108098 [0,1,0,0,0,0|1,0,2]=4 1258 B5R0.5 CC(=O)N(C)C D108099 [0,1,0,0,0,0|1,0,2]=4 1259 B5R0.5 CC(=O)N(C)C D108100 [0,1,0,0,0,0|1,0,2]=4 1260 B5R0.5 CC(=O)N(C)C D119664 [0,1,0,0,0,0|1,0,2]=4 1261 B5R0.5 CC(=O)N(C)C D121274 [0,1,0,0,0,0|1,0,2]=4 1262 B5R0.5 CC(=S)N(C)C N140450 [0,1,0,0,0,0|1,1,1]=4 1263 B5R0.5 CC(C(=O)Br)Br B106918 [0,1,0,0,0,0|1,0,2]=4 1264 B5R0.5 CC(C(=O)C)Br B195163 [0,1,0,0,0,0|0,0,2]=3 1265 B5R0.5 CC(C(=O)C)Cl C136316 [0,1,0,0,0,0|0,0,2]=3 1266 B5R0.5 CC(C(=O)C)N A168580 [0,1,0,0,0,0|0,0,2]=3 1267 B5R0.5 CC(C(=O)C)O A109410 [0,1,0,0,0,0|0,0,1]=2 1268 B5R0.5 CC(C(=O)C)O A109411 [0,1,0,0,0,0|0,0,1]=2 1269 B5R0.5 CC(C(=O)C)S M102955 [0,1,0,0,0,0|0,0,2]=3 1270 B5R0.5 CC(C(=O)Cl)Br B119905 [0,1,0,0,0,0|1,0,2]=4 1271 B5R0.5 CC(C(=O)Cl)Cl C102420 [0,1,0,0,0,0|1,0,2]=4 1272 B5R0.5 CC(C(=O)Cl)Cl C401784 [0,1,0,0,0,0|1,0,2]=4 1273 B5R0.5 CC(C(=O)N)Br B474352 [0,1,0,0,0,0|1,0,2]=4 1274 B5R0.5 CC(C(=O)N)Cl C169221 [0,1,0,0,0,0|1,0,2]=4 1275 B5R0.5 CC(C(=O)N)N A117207 [0,1,0,0,0,0|1,0,2]=4 1276 B5R0.5 CC(C(=O)N)N H589984 [0,1,0,0,0,0|1,0,2]=4 1277 B5R0.5 CC(C(=O)N)N R192946 [0,1,0,0,0,0|1,0,2]=4 1278 B5R0.5 CC(C(=O)N)O R139052 [0,1,0,0,0,0|1,0,1]=3 1279 B5R0.5 CC(C(=O)N)O S469819 [0,1,0,0,0,0|1,0,1]=3 1280 B5R0.5 CC(C(=O)O)Br B106080 [0,1,0,0,0,0|1,0,1]=3 1281 B5R0.5 CC(C(=O)O)Br B106920 [0,1,0,0,0,0|1,0,1]=3 1282 B5R0.5 CC(C(=O)O)Br R160937 [0,1,0,0,0,0|1,0,1]=3 1283 B5R0.5 CC(C(=O)O)Cl C106527 [0,1,0,0,0,0|1,0,1]=3 1284 B5R0.5 CC(C(=O)O)Cl C109467 [0,1,0,0,0,0|1,0,1]=3 1285 B5R0.5 CC(C(=O)O)Cl C140796 [0,1,0,0,0,0|1,0,1]=3 1286 B5R0.5 CC(C(=O)O)Cl R160939 [0,1,0,0,0,0|1,0,1]=3 1287 B5R0.5 CC(C(=O)O)F F469437 [0,1,0,0,0,0|1,0,1]=3 1288 B5R0.5 CC(C(=O)O)N A100051 [0,1,0,0,0,0|1,0,1]=3 1289 B5R0.5 CC(C(=O)O)N A108263 [0,1,0,0,0,0|1,0,1]=3 1290 B5R0.5 CC(C(=O)O)N A109095 [0,1,0,0,0,0|1,0,1]=3 1291 B5R0.5 CC(C(=O)O)N A117757 [0,1,0,0,0,0|1,0,1]=3 1292 B5R0.5 CC(C(=O)O)N A117758 [0,1,0,0,0,0|1,0,1]=3 1293 B5R0.5 CC(C(=O)O)N A118860 [0,1,0,0,0,0|1,0,1]=3 1294 B5R0.5 CC(C(=O)O)N D423466 [0,1,0,0,0,0|1,0,1]=3 1295 B5R0.5 CC(C(=O)O)N D472023 [0,1,0,0,0,0|1,0,1]=3 1296 B5R0.5 CC(C(=O)O)N D474151 [0,1,0,0,0,0|1,0,1]=3 1297 B5R0.5 CC(C(=O)O)N L424776 [0,1,0,0,0,0|1,0,1]=3 1298 B5R0.5 CC(C(=O)O)N S432937 [0,1,0,0,0,0|1,0,1]=3 1299 B5R0.5 CC(C(=O)O)O L107595 [0,1,0,0,0,0|1,0,1]=3 1300 B5R0.5 CC(C(=O)O)O L107596 [0,1,0,0,0,0|1,0,1]=3 1301 B5R0.5 CC(C(=O)O)O L108839 [0,1,0,0,0,0|1,0,1]=3 1302 B5R0.5 CC(C(=O)O)O L108841 [0,1,0,0,0,0|1,0,1]=3 1303 B5R0.5 CC(C(=O)O)O L122089 [0,1,0,0,0,0|1,0,1]=3 1304 B5R0.5 CC(C(=O)O)O L122090 [0,1,0,0,0,0|1,0,1]=3 1305 B5R0.5 CC(C(=O)O)O L291729 [0,1,0,0,0,0|1,0,1]=3 1306 B5R0.5 CC(C(=O)O)O L291730 [0,1,0,0,0,0|1,0,1]=3 1307 B5R0.5 CC(C(=O)O)O L291731 [0,1,0,0,0,0|1,0,1]=3 1308 B5R0.5 CC(C(=O)O)O L291732 [0,1,0,0,0,0|1,0,1]=3 1309 B5R0.5 CC(C(=O)O)O L425989 [0,1,0,0,0,0|1,0,1]=3 1310 B5R0.5 CC(C(=O)O)O P169115 [0,1,0,0,0,0|1,0,1]=3 1311 B5R0.5 CC(C(=O)O)O S161106 [0,1,0,0,0,0|1,0,1]=3 1312 B5R0.5 CC(C(=O)O)S T162374 [0,1,0,0,0,0|1,0,1]=3 1313 B5R0.5 CC(C(=O)[O-])O A303861 [0,1,0,0,0,0|1,0,1]=3 1314 B5R0.5 CC(C(=O)[O-])O C110506 [0,1,0,0,0,0|1,0,1]=3 1315 B5R0.5 CC(C(=O)[O-])O C304709 [0,1,0,0,0,0|1,0,1]=3 1316 B5R0.5 CC(C(=O)[O-])O D304649 [0,1,0,0,0,0|1,0,1]=3 1317 B5R0.5 CC(C(=O)[O-])O I350723 [0,1,0,0,0,0|1,0,1]=3 1318 B5R0.5 CC(C(=O)[O-])O L104219 [0,1,0,0,0,0|1,0,1]=3 1319 B5R0.5 CC(C(=O)[O-])O L133140 [0,1,0,0,0,0|1,0,1]=3 1320 B5R0.5 CC(C(=O)[O-])O M305218 [0,1,0,0,0,0|1,0,1]=3 1321 B5R0.5 CC(C(=O)[O-])O P113770 [0,1,0,0,0,0|1,0,1]=3 1322 B5R0.5 CC(C(=O)[O-])O P305067 [0,1,0,0,0,0|1,0,1]=3 1323 B5R0.5 CC(C(=O)[O-])O S108837 [0,1,0,0,0,0|1,0,1]=3 1324 B5R0.5 CC(C(=O)[O-])O S108838 [0,1,0,0,0,0|1,0,1]=3 1325 B5R0.5 CC(C(=O)[O-])O S301759 [0,1,0,0,0,0|1,0,1]=3 1326 B5R0.5 CC(C(=O)[O-])O S302327 [0,1,0,0,0,0|1,0,1]=3 1327 B5R0.5 CC(C(=O)[O-])O S334655 [0,1,0,0,0,0|1,0,1]=3 1328 B5R0.5 CC(C(=O)[O-])O S426464 [0,1,0,0,0,0|1,0,1]=3 1329 B5R0.5 CC(C(=O)[O-])O S465689 [0,1,0,0,0,0|1,0,1]=3 1330 B5R0.5 CC(C(C)Cl)Cl D155309 [0,1,0,0,0,0|1,0,0]=2 1331 B5R0.5 CC(C(C)O)O B103428 [0,1,0,0,0,0|0,0,0]=1 1332 B5R0.5 CC(C(C)O)O B424414 [0,1,0,0,0,0|0,0,0]=1 1333 B5R0.5 CC(C(C)O)O R135716 [0,1,0,0,0,0|0,0,0]=1 1334 B5R0.5 CC(C(C)O)O R422817 [0,1,0,0,0,0|0,0,0]=1 1335 B5R0.5 CC(C(C)O)O R470710 [0,1,0,0,0,0|0,0,0]=1 1336 B5R0.5 CC(C(C)O)O S160997 [0,1,0,0,0,0|0,0,0]=1 1337 B5R0.5 CC(C(C)S)O M102962 [0,1,0,0,0,0|0,0,0]=1 1338 B5R0.5 CC(C(C)S)O M158761 [0,1,0,0,0,0|0,0,0]=1 1339 B5R0.5 CC(C(C)S)S B102921 [0,1,0,0,0,0|0,1,0]=2 1340 B5R0.5 CC(C(Cl)Cl)Cl T162273 [0,1,0,0,0,0|2,0,0]=3 1341 B5R0.5 CC(C)C(=C)C D101515 [0,1,0,0,0,0|1,0,1]=3 1342 B5R0.5 CC(C)C(=N)N I335550 [0,1,0,0,0,0|2,0,1]=4 1343 B5R0.5 CC(C)C(=O)C M103677 [0,1,0,0,0,0|0,0,2]=3 1344 B5R0.5 CC(C)C(=O)C M103678 [0,1,0,0,0,0|0,0,2]=3 1345 B5R0.5 CC(C)C(=O)Cl I107549 [0,1,0,0,0,0|1,0,2]=4 1346 B5R0.5 CC(C)C(=O)N I157612 [0,1,0,0,0,0|1,0,2]=4 1347 B5R0.5 CC(C)C(=O)O I103521 [0,1,0,0,0,0|1,0,1]=3 1348 B5R0.5 CC(C)C(=O)O I103522 [0,1,0,0,0,0|1,0,1]=3 1349 B5R0.5 CC(C)C(=O)O I103524 [0,1,0,0,0,0|1,0,1]=3 1350 B5R0.5 CC(C)C(=O)O I303334 [0,1,0,0,0,0|1,0,1]=3 1351 B5R0.5 CC(C)C(=O)O I434199 [0,1,0,0,0,0|1,0,1]=3 1352 B5R0.5 CC(C)C(=O)[O-] P160181 [0,1,0,0,0,0|1,0,2]=4 1353 B5R0.5 CC(C)C(=S)N T140153 [0,1,0,0,0,0|1,1,1]=4 1354 B5R0.5 CC(C)C(C)C D106276 [0,1,0,0,0,0|1,0,0]=2 1355 B5R0.5 CC(C)C(C)C D106277 [0,1,0,0,0,0|1,0,0]=2 1356 B5R0.5 CC(C)C(C)C D106278 [0,1,0,0,0,0|1,0,0]=2 1357 B5R0.5 CC(C)C(C)N A100617 [0,1,0,0,0,0|1,0,0]=2 1358 B5R0.5 CC(C)C(C)N D101300 [0,1,0,0,0,0|1,0,0]=2 1359 B5R0.5 CC(C)C(C)O M158745 [0,1,0,0,0,0|0,0,0]=1 1360 B5R0.5 CC(C)C(C)S M103138 [0,1,0,0,0,0|0,1,0]=2 1361 B5R0.5 CC(C)N(C)C N159099 [0,1,0,0,0,0|2,0,0]=3 1362 B5R0.5 CC(C)[N+](=O)[O-] N107506 [0,1,0,0,0,0|2,0,1]=4 1363 B5R0.5 CC(C)[Si](C)C D356950 [0,1,0,0,0,0|1,1,0]=3 1364 B5R1.2 C1C(=O)CN1 A174998 [0,0,0,1,0,0|1,0,2]=4 1365 B5R1.2 C1C(=O)CO1 O129097 [0,0,0,1,0,0|1,0,2]=4 1366 B5R1.2 C1C(CN1)F F134511 [0,0,0,1,0,0|2,0,0]=3 1367 B5R1.2 C1C(CN1)N A171689 [0,0,0,1,0,0|2,0,0]=3 1368 B5R1.2 C1C(CN1)O H102085 [0,0,0,1,0,0|1,0,0]=2 1369 B5R1.2 C1C(CO1)Br B170097 [0,0,0,1,0,0|2,0,0]=3 1370 B5R1.2 C1C(CO1)I I134383 [0,0,0,1,0,0|2,0,0]=3 1371 B5R1.2 C1C(CO1)N O135359 [0,0,0,1,0,0|2,0,0]=3 1372 B5R1.2 C1C(CO1)N O589249 [0,0,0,1,0,0|2,0,0]=3 1373 B5R1.2 C1C(CO1)O H123582 [0,0,0,1,0,0|1,0,0]=2 1374 B5R1.2 C1C(CS1)N T173228 [0,0,0,1,0,0|2,0,0]=3 1375 B5R1.2 C1CC(=O)C1 C107836 [0,0,0,1,0,0|0,0,2]=3 1376 B5R1.2 C1CC(C1)Br C107837 [0,0,0,1,0,0|1,0,0]=2 1377 B5R1.2 C1CC(C1)Cl C115990 [0,0,0,1,0,0|1,0,0]=2 1378 B5R1.2 C1CC(C1)N C113777 [0,0,0,1,0,0|1,0,0]=2 1379 B5R1.2 C1CC(C1)N P117243 [0,0,0,1,0,0|1,0,0]=2 1380 B5R1.2 C1CC(C1)O C101572 [0,0,0,1,0,0|0,0,0]=1 1381 B5R1.2 C1CNC1=O A139449 [0,0,0,1,0,0|1,0,2]=4 1382 B5R1.2 C1COC1=O P109567 [0,0,0,1,0,0|1,0,1]=3 1383 B5R1.2 C=C1CCC1 M332850 [0,0,0,1,0,0|1,0,1]=3 1384 B5R1.3 C#CC1CC1 C108075 [0,0,0,1,0,0|1,0,2]=4 1385 B5R1.3 C1C(O1)CCl E100521 [0,0,0,1,0,0|1,0,0]=2 1386 B5R1.3 C1C(O1)CCl E108181 [0,0,0,1,0,0|1,0,0]=2 1387 B5R1.3 C1C(O1)CCl E108182 [0,0,0,1,0,0|1,0,0]=2 1388 B5R1.3 C1C(O1)CCl E108184 [0,0,0,1,0,0|1,0,0]=2 1389 B5R1.3 C1C(O1)CCl E108185 [0,0,0,1,0,0|1,0,0]=2 1390 B5R1.3 C1C(O1)CCl E109298 [0,0,0,1,0,0|1,0,0]=2 1391 B5R1.3 C1C(O1)CCl E137334 [0,0,0,1,0,0|1,0,0]=2 1392 B5R1.3 C1C(O1)CCl E325686 [0,0,0,1,0,0|1,0,0]=2 1393 B5R1.3 C1C(O1)CCl E401255 [0,0,0,1,0,0|1,0,0]=2 1394 B5R1.3 C1C(O1)CF E352987 [0,0,0,1,0,0|1,0,0]=2 1395 B5R1.3 C1C(O1)CO G106989 [0,0,0,1,0,0|1,0,0]=2 1396 B5R1.3 C1C(O1)CO R119621 [0,0,0,1,0,0|1,0,0]=2 1397 B5R1.3 C1C(O1)CO S119620 [0,0,0,1,0,0|1,0,0]=2 1398 B5R1.3 C1CC1C#N C153826 [0,0,0,1,0,0|2,0,1]=4 1399 B5R1.3 C1CC1C=O C106978 [0,0,0,1,0,0|2,0,1]=4 1400 B5R1.3 C1CC1CBr B109676 [0,0,0,1,0,0|2,0,0]=3 1401 B5R1.3 C1CC1CCl C104287 [0,0,0,1,0,0|2,0,0]=3 1402 B5R1.3 C1CC1CI I464078 [0,0,0,1,0,0|2,0,0]=3 1403 B5R1.3 C1CC1CN C153637 [0,0,0,1,0,0|2,0,0]=3 1404 B5R1.3 C1CC1CN C339737 [0,0,0,1,0,0|2,0,0]=3 1405 B5R1.3 C1CC1CO C108023 [0,0,0,1,0,0|2,0,0]=3 1406 B5R1.3 C1CC1CO C108024 [0,0,0,1,0,0|2,0,0]=3 1407 B5R1.3 C=CC1CO1 V100986 [0,0,0,1,0,0|0,0,2]=3 1408 B5R1.3 CCC1CO1 B123067 [0,0,0,1,0,0|0,0,0]=1 1409 B5R1.3 CCC1CO1 B152236 [0,0,0,1,0,0|0,0,0]=1 1410 B5R1.3 CCC1CO1 E123068 [0,0,0,1,0,0|0,0,0]=1 1411 B5R1.3 CNC1CC1 N177134 [0,0,0,1,0,0|2,0,0]=3 1412 B5R1.4 CC1C(O1)C C349177 [0,0,0,1,0,0|0,0,0]=1 1413 B5R1.5 CC1(CC1)N M178021 [0,0,0,1,0,0|1,0,0]=2 1414 B5R1.5 CC1(CO1)C I109578 [0,0,0,1,0,0|2,0,0]=3 1415 B5R1.5 CC1(CS1)C I157605 [0,0,0,1,0,0|2,0,0]=3 1416 B2R0.1 B(=O)O M164490 [2,0,0,0,0,0|2,0,0]=4 1417 B2R0.1 C(#N)O M304224 [2,0,0,0,0,0|1,0,1]=4 1418 B2R0.1 C(=O)O D121276 [2,0,0,0,0,0|1,0,1]=4 1419 B2R0.1 C(=O)O F100377 [2,0,0,0,0,0|1,0,1]=4 1420 B2R0.1 C(=O)O F100378 [2,0,0,0,0,0|1,0,1]=4 1421 B2R0.1 C(=O)O F112031 [2,0,0,0,0,0|1,0,1]=4 1422 B2R0.1 C(=O)O F112032 [2,0,0,0,0,0|1,0,1]=4 1423 B2R0.1 C(=O)O F112034 [2,0,0,0,0,0|1,0,1]=4 1424 B2R0.1 C(=O)O F112035 [2,0,0,0,0,0|1,0,1]=4 1425 B2R0.1 C(=O)O F112036 [2,0,0,0,0,0|1,0,1]=4 1426 B2R0.1 C(=O)O F112038 [2,0,0,0,0,0|1,0,1]=4 1427 B2R0.1 C(=O)O F130104 [2,0,0,0,0,0|1,0,1]=4 1428 B2R0.1 C(=O)O F291751 [2,0,0,0,0,0|1,0,1]=4 1429 B2R0.1 C(=O)O F291755 [2,0,0,0,0,0|1,0,1]=4 1430 B2R0.1 C(=O)O F298780 [2,0,0,0,0,0|1,0,1]=4 1431 B2R0.1 C(=O)O F301789 [2,0,0,0,0,0|1,0,1]=4 1432 B2R0.1 C(=O)O F301790 [2,0,0,0,0,0|1,0,1]=4 1433 B2R0.1 C(=O)O F301791 [2,0,0,0,0,0|1,0,1]=4 1434 B2R0.1 C(=O)O F301957 [2,0,0,0,0,0|1,0,1]=4 1435 B2R0.1 C(Br)Br D104768 [2,0,0,0,0,0|2,0,0]=4 1436 B2R0.1 C(Br)Br D104769 [2,0,0,0,0,0|2,0,0]=4 1437 B2R0.1 C(Br)I B339134 [2,0,0,0,0,0|2,0,0]=4 1438 B2R0.1 C(Cl)Br B105792 [2,0,0,0,0,0|2,0,0]=4 1439 B2R0.1 C(Cl)Br B105793 [2,0,0,0,0,0|2,0,0]=4 1440 B2R0.1 C(Cl)Br B128122 [2,0,0,0,0,0|2,0,0]=4 1441 B2R0.1 C(Cl)I C106574 [2,0,0,0,0,0|2,0,0]=4 1442 B2R0.1 C(I)I D104755 [2,0,0,0,0,0|2,0,0]=4 1443 B2R0.1 C(I)I D104756 [2,0,0,0,0,0|2,0,0]=4 1444 B2R0.1 C(N)N M171041 [2,0,0,0,0,0|2,0,0]=4 1445 B2R0.1 C(N)N M491910 [2,0,0,0,0,0|2,0,0]=4 1446 B2R0.1 C=CO M434365 [2,0,0,0,0,0|0,0,2]=4 1447 B2R0.1 C=CO P105124 [2,0,0,0,0,0|0,0,2]=4 1448 B2R0.1 C=CO P105125 [2,0,0,0,0,0|0,0,2]=4 1449 B2R0.1 C=CO P105126 [2,0,0,0,0,0|0,0,2]=4 1450 B2R0.1 C=CO P105127 [2,0,0,0,0,0|0,0,2]=4 1451 B2R0.1 C=CO P105128 [2,0,0,0,0,0|0,0,2]=4 1452 B2R0.1 C=CO P119357 [2,0,0,0,0,0|0,0,2]=4 1453 B2R0.1 C=CO P119359 [2,0,0,0,0,0|0,0,2]=4 1454 B2R0.1 C=CO P119361 [2,0,0,0,0,0|0,0,2]=4 1455 B2R0.1 C=CO P119362 [2,0,0,0,0,0|0,0,2]=4 1456 B2R0.1 C=CO P119363 [2,0,0,0,0,0|0,0,2]=4 1457 B2R0.1 C=CO P119364 [2,0,0,0,0,0|0,0,2]=4 1458 B2R0.1 C=CO P139533 [2,0,0,0,0,0|0,0,2]=4 1459 B2R0.1 C=CO P139534 [2,0,0,0,0,0|0,0,2]=4 1460 B2R0.1 C=CO P139535 [2,0,0,0,0,0|0,0,2]=4 1461 B2R0.1 C=CO P139537 [2,0,0,0,0,0|0,0,2]=4 1462 B2R0.1 C=CO P139539 [2,0,0,0,0,0|0,0,2]=4 1463 B2R0.1 C=CO P139540 [2,0,0,0,0,0|0,0,2]=4 1464 B2R0.1 C=CO P139541 [2,0,0,0,0,0|0,0,2]=4 1465 B2R0.1 C=CO P139542 [2,0,0,0,0,0|0,0,2]=4 1466 B2R0.1 C=CO P139543 [2,0,0,0,0,0|0,0,2]=4 1467 B2R0.1 C=CO P139544 [2,0,0,0,0,0|0,0,2]=4 1468 B2R0.1 C=CO P139545 [2,0,0,0,0,0|0,0,2]=4 1469 B2R0.1 C=CO P139546 [2,0,0,0,0,0|0,0,2]=4 1470 B2R0.1 C=CO P139548 [2,0,0,0,0,0|0,0,2]=4 1471 B2R0.1 C=CO P139549 [2,0,0,0,0,0|0,0,2]=4 1472 B2R0.1 C=CO P139550 [2,0,0,0,0,0|0,0,2]=4 1473 B2R0.1 C=CO P140398 [2,0,0,0,0,0|0,0,2]=4 1474 B2R0.1 C=CO P434363 [2,0,0,0,0,0|0,0,2]=4 1475 B2R0.1 C=CO P434367 [2,0,0,0,0,0|0,0,2]=4 1476 B2R0.1 C=CO P434368 [2,0,0,0,0,0|0,0,2]=4 1477 B2R0.1 C=CO P434369 [2,0,0,0,0,0|0,0,2]=4 1478 B2R0.1 C=CO P434370 [2,0,0,0,0,0|0,0,2]=4 1479 B2R0.1 C=CO P434371 [2,0,0,0,0,0|0,0,2]=4 1480 B2R0.1 C=CO P434372 [2,0,0,0,0,0|0,0,2]=4 1481 B2R0.1 C=CO P434374 [2,0,0,0,0,0|0,0,2]=4 1482 B2R0.1 C=CO P434375 [2,0,0,0,0,0|0,0,2]=4 1483 B2R0.1 C=CO P434376 [2,0,0,0,0,0|0,0,2]=4 1484 B2R0.1 C=CO P434377 [2,0,0,0,0,0|0,0,2]=4 1485 B2R0.1 C=CO P485585 [2,0,0,0,0,0|0,0,2]=4 1486 B2R0.1 C=NO F304557 [2,0,0,0,0,0|1,0,1]=4 1487 B2R0.1 CC#N A100968 [2,0,0,0,0,0|1,0,1]=4 1488 B2R0.1 CC#N A100969 [2,0,0,0,0,0|1,0,1]=4 1489 B2R0.1 CC#N A100970 [2,0,0,0,0,0|1,0,1]=4 1490 B2R0.1 CC#N A104439 [2,0,0,0,0,0|1,0,1]=4 1491 B2R0.1 CC#N A104440 [2,0,0,0,0,0|1,0,1]=4 1492 B2R0.1 CC#N A104441 [2,0,0,0,0,0|1,0,1]=4 1493 B2R0.1 CC#N A104442 [2,0,0,0,0,0|1,0,1]=4 1494 B2R0.1 CC#N A104443 [2,0,0,0,0,0|1,0,1]=4 1495 B2R0.1 CC#N A104444 [2,0,0,0,0,0|1,0,1]=4 1496 B2R0.1 CC#N A104445 [2,0,0,0,0,0|1,0,1]=4 1497 B2R0.1 CC#N A119012 [2,0,0,0,0,0|1,0,1]=4 1498 B2R0.1 CC#N A119013 [2,0,0,0,0,0|1,0,1]=4 1499 B2R0.1 CC#N A119416 [2,0,0,0,0,0|1,0,1]=4 1500 B2R0.1 CC#N A119780 [2,0,0,0,0,0|1,0,1]=4 1501 B2R0.1 CC#N A338281 [2,0,0,0,0,0|1,0,1]=4 1502 B2R0.1 CC#N A433531 [2,0,0,0,0,0|1,0,1]=4 1503 B2R0.1 CC#N A491190 [2,0,0,0,0,0|1,0,1]=4 1504 B2R0.1 CC#N B101063 [2,0,0,0,0,0|1,0,1]=4 1505 B2R0.1 CC#N B294292 [2,0,0,0,0,0|1,0,1]=4 1506 B2R0.1 CC#N B302790 [2,0,0,0,0,0|1,0,1]=4 1507 B2R0.1 CC=O A113994 [2,0,0,0,0,0|0,0,2]=4 1508 B2R0.1 CC=O A433551 [2,0,0,0,0,0|0,0,2]=4 1509 B2R0.1 CC=O A639642 [2,0,0,0,0,0|0,0,2]=4 1510 B2R0.1 CCI I102946 [2,0,0,0,0,0|1,0,0]=3 1511 B2R0.1 CCI I409414 [2,0,0,0,0,0|1,0,0]=3 1512 B2R0.1 CCN E105062 [2,0,0,0,0,0|1,0,0]=3 1513 B2R0.1 CCN E110890 [2,0,0,0,0,0|1,0,0]=3 1514 B2R0.1 CCN E156136 [2,0,0,0,0,0|1,0,0]=3 1515 B2R0.1 CCN E156294 [2,0,0,0,0,0|1,0,0]=3 1516 B2R0.1 CCN E466418 [2,0,0,0,0,0|1,0,0]=3 1517 B2R0.1 CCN E492056 [2,0,0,0,0,0|1,0,0]=3 1518 B2R0.1 CCN E492061 [2,0,0,0,0,0|1,0,0]=3 1519 B2R0.1 CCN E492079 [2,0,0,0,0,0|1,0,0]=3 1520 B2R0.1 CCO E102259 [2,0,0,0,0,0|0,0,0]=2 1521 B2R0.1 CCO E102260 [2,0,0,0,0,0|0,0,0]=2 1522 B2R0.1 CCO E304986 [2,0,0,0,0,0|0,0,0]=2 1523 B2R0.1 CCO Z283415 [2,0,0,0,0,0|0,0,0]=2 1524 B2R0.1 CC[CH2-] P465899 [2,0,0,0,0,0|0,0,1]=3 1525 B2R0.1 CC[O-] A299740 [2,0,0,0,0,0|0,0,1]=3 1526 B2R0.1 CC[O-] L332172 [2,0,0,0,0,0|0,0,1]=3 1527 B2R0.1 CC[O-] M485726 [2,0,0,0,0,0|0,0,1]=3 1528 B2R0.1 CC[O-] N303439 [2,0,0,0,0,0|0,0,1]=3 1529 B2R0.1 CC[O-] S104118 [2,0,0,0,0,0|0,0,1]=3 1530 B2R0.1 CC[O-] S104119 [2,0,0,0,0,0|0,0,1]=3 1531 B2R0.1 CC[O-] S615768 [2,0,0,0,0,0|0,0,1]=3 1532 B2R0.1 CC[O-] T107173 [2,0,0,0,0,0|0,0,1]=3 1533 B2R0.1 CC[O-] T194162 [2,0,0,0,0,0|0,0,1]=3 1534 B2R0.1 CC[O-] T283534 [2,0,0,0,0,0|0,0,1]=3 1535 B2R0.1 CC[S-] S304707 [2,0,0,0,0,0|0,1,0]=3 1536 B2R0.1 CNC D108948 [2,0,0,0,0,0|1,0,0]=3 1537 B2R0.1 CNC D137625 [2,0,0,0,0,0|1,0,0]=3 1538 B2R0.1 CNC D155610 [2,0,0,0,0,0|1,0,0]=3 1539 B2R0.1 CNC D155682 [2,0,0,0,0,0|1,0,0]=3 1540 B2R0.1 CNC D424363 [2,0,0,0,0,0|1,0,0]=3 1541 B2R0.1 CNC D492747 [2,0,0,0,0,0|1,0,0]=3 1542 B2R0.1 CNO N138828 [2,0,0,0,0,0|1,0,0]=3 1543 B2R0.1 CON M109434 [2,0,0,0,0,0|2,0,0]=4 1544 B2R0.1 CSC B130054 [2,0,0,0,0,0|1,0,0]=3 1545 B2R0.1 CSC B130055 [2,0,0,0,0,0|1,0,0]=3 1546 B2R0.1 CSC C153396 [2,0,0,0,0,0|1,0,0]=3 1547 B2R0.1 CSC C170925 [2,0,0,0,0,0|1,0,0]=3 1548 B2R0.1 C[CH-]C D466158 [2,0,0,0,0,0|0,0,1]=3 1549 B2R0.1 C[Hg]Cl M114695 [2,0,0,0,0,0|2,0,0]=4 1550 B2R0.1 C[N-]C P283060 [2,0,0,0,0,0|1,0,0]=3 1551 B2R0.1 C[N-]C T161485 [2,0,0,0,0,0|1,0,0]=3 1552 B2R0.1 C[Se]C D154771 [2,0,0,0,0,0|1,0,0]=3 1553 B2R0.1 O[Al]=O B302379 [2,0,0,0,0,0|2,0,0]=4 1554 B2R0.1 O[Fe]=O Z492240 [2,0,0,0,0,0|2,0,0]=4 1555 B4R0.2 C#CCCBr B151807 [1,1,0,0,0,0|0,0,2]=4 1556 B4R0.2 C#CCCN B195517 [1,1,0,0,0,0|0,0,2]=4 1557 B4R0.2 C#CCCO B106249 [1,1,0,0,0,0|0,0,1]=3 1558 B4R0.2 C(C=CO)Cl R303195 [1,1,0,0,0,0|0,0,2]=4 1559 B4R0.2 C(CBr)C#N B106916 [1,1,0,0,0,0|1,0,1]=4 1560 B4R0.2 C(CBr)CBr D104777 [1,1,0,0,0,0|1,0,0]=3 1561 B4R0.2 C(CBr)CBr D104778 [1,1,0,0,0,0|1,0,0]=3 1562 B4R0.2 C(CCl)C#N C141146 [1,1,0,0,0,0|1,0,1]=4 1563 B4R0.2 C(CCl)C#N C298757 [1,1,0,0,0,0|1,0,1]=4 1564 B4R0.2 C(CCl)CBr B105780 [1,1,0,0,0,0|1,0,0]=3 1565 B4R0.2 C(CCl)CCl D109184 [1,1,0,0,0,0|1,0,0]=3 1566 B4R0.2 C(CCl)CCl D109185 [1,1,0,0,0,0|1,0,0]=3 1567 B4R0.2 C(CCl)CCl D113099 [1,1,0,0,0,0|1,0,0]=3 1568 B4R0.2 C(CCl)CCl D128142 [1,1,0,0,0,0|1,0,0]=3 1569 B4R0.2 C(CCl)CCl D140761 [1,1,0,0,0,0|1,0,0]=3 1570 B4R0.2 C(CCl)CI C153543 [1,1,0,0,0,0|1,0,0]=3 1571 B4R0.2 C(CF)CBr B303518 [1,1,0,0,0,0|1,0,0]=3 1572 B4R0.2 C(CF)CI I184641 [1,1,0,0,0,0|1,0,0]=3 1573 B4R0.2 C(CI)CI D139104 [1,1,0,0,0,0|1,0,0]=3 1574 B4R0.2 C(CN)C#N A107499 [1,1,0,0,0,0|1,0,1]=4 1575 B4R0.2 C(CN)CBr B106915 [1,1,0,0,0,0|1,0,0]=3 1576 B4R0.2 C(CN)CCl C102474 [1,1,0,0,0,0|1,0,0]=3 1577 B4R0.2 C(CN)CN B151838 [1,1,0,0,0,0|1,0,0]=3 1578 B4R0.2 C(CN)CN D154662 [1,1,0,0,0,0|1,0,0]=3 1579 B4R0.2 C(CN)CN D155613 [1,1,0,0,0,0|1,0,0]=3 1580 B4R0.2 C(CN)CN D155681 [1,1,0,0,0,0|1,0,0]=3 1581 B4R0.2 C(CN)CN P103898 [1,1,0,0,0,0|1,0,0]=3 1582 B4R0.2 C(CN)CN P492915 [1,1,0,0,0,0|1,0,0]=3 1583 B4R0.2 C(CN)CN P494086 [1,1,0,0,0,0|1,0,0]=3 1584 B4R0.2 C(CN)CO A106068 [1,1,0,0,0,0|0,0,0]=2 1585 B4R0.2 C(CN)CO A106069 [1,1,0,0,0,0|0,0,0]=2 1586 B4R0.2 C(CN)CO A151629 [1,1,0,0,0,0|0,0,0]=2 1587 B4R0.2 C(CN)CO A299064 [1,1,0,0,0,0|0,0,0]=2 1588 B4R0.2 C(CN)CS A476835 [1,1,0,0,0,0|0,1,0]=3 1589 B4R0.2 C(CO)C#N H109415 [1,1,0,0,0,0|0,0,1]=3 1590 B4R0.2 C(CO)C=O H588118 [1,1,0,0,0,0|0,0,1]=3 1591 B4R0.2 C(CO)CBr B108055 [1,1,0,0,0,0|0,0,0]=2 1592 B4R0.2 C(CO)CBr B140136 [1,1,0,0,0,0|0,0,0]=2 1593 B4R0.2 C(CO)CCl C109471 [1,1,0,0,0,0|0,0,0]=2 1594 B4R0.2 C(CO)CF F404475 [1,1,0,0,0,0|0,0,0]=2 1595 B4R0.2 C(CO)CI I139105 [1,1,0,0,0,0|0,0,0]=2 1596 B4R0.2 C(CO)CO P108206 [1,1,0,0,0,0|0,0,0]=2 1597 B4R0.2 C(CO)CO P108207 [1,1,0,0,0,0|0,0,0]=2 1598 B4R0.2 C(CO)CO P108208 [1,1,0,0,0,0|0,0,0]=2 1599 B4R0.2 C(CO)CO P432773 [1,1,0,0,0,0|0,0,0]=2 1600 B4R0.2 C(CO)CS M158215 [1,1,0,0,0,0|0,0,0]=2 1601 B4R0.2 C(CO)NN H113414 [1,1,0,0,0,0|1,0,0]=3 1602 B4R0.2 C(CON)N A193083 [1,1,0,0,0,0|1,0,0]=3 1603 B4R0.2 C(CS)C#N M302020 [1,1,0,0,0,0|0,1,1]=4 1604 B4R0.2 C(CS)CS P100845 [1,1,0,0,0,0|0,1,0]=3 1605 B4R0.2 C=CCCBr B106906 [1,1,0,0,0,0|0,0,2]=4 1606 B4R0.2 C=CCCCl C405543 [1,1,0,0,0,0|0,0,2]=4 1607 B4R0.2 C=CCCN B167997 [1,1,0,0,0,0|0,0,2]=4 1608 B4R0.2 C=CCCO B120318 [1,1,0,0,0,0|0,0,1]=3 1609 B4R0.2 C=CCON O159949 [1,1,0,0,0,0|0,0,2]=4 1610 B4R0.2 CC#CCO B111064 [1,1,0,0,0,0|0,0,1]=3 1611 B4R0.2 CC=CCCl C153477 [1,1,0,0,0,0|0,0,2]=4 1612 B4R0.2 CC=CCCl C153917 [1,1,0,0,0,0|0,0,2]=4 1613 B4R0.2 CC=CCO C106252 [1,1,0,0,0,0|0,0,1]=3 1614 B4R0.2 CCC#CC P160658 [1,1,0,0,0,0|0,0,1]=3 1615 B4R0.2 CCC=C=C P160269 [1,1,0,0,0,0|0,0,2]=4 1616 B4R0.2 CCCC=O B100299 [1,1,0,0,0,0|0,0,1]=3 1617 B4R0.2 CCCC=O B100302 [1,1,0,0,0,0|0,0,1]=3 1618 B4R0.2 CCCC=O B305593 [1,1,0,0,0,0|0,0,1]=3 1619 B4R0.2 CCCCBr B105250 [1,1,0,0,0,0|0,0,0]=2 1620 B4R0.2 CCCCBr B105252 [1,1,0,0,0,0|0,0,0]=2 1621 B4R0.2 CCCCBr B105256 [1,1,0,0,0,0|0,0,0]=2 1622 B4R0.2 CCCCBr B472078 [1,1,0,0,0,0|0,0,0]=2 1623 B4R0.2 CCCCCl C103252 [1,1,0,0,0,0|0,0,0]=2 1624 B4R0.2 CCCCCl C103253 [1,1,0,0,0,0|0,0,0]=2 1625 B4R0.2 CCCCCl C103255 [1,1,0,0,0,0|0,0,0]=2 1626 B4R0.2 CCCCCl C103256 [1,1,0,0,0,0|0,0,0]=2 1627 B4R0.2 CCCCCl C118434 [1,1,0,0,0,0|0,0,0]=2 1628 B4R0.2 CCCCI I108560 [1,1,0,0,0,0|0,0,0]=2 1629 B4R0.2 CCCCN B110356 [1,1,0,0,0,0|0,0,0]=2 1630 B4R0.2 CCCCN B110357 [1,1,0,0,0,0|0,0,0]=2 1631 B4R0.2 CCCCN B110358 [1,1,0,0,0,0|0,0,0]=2 1632 B4R0.2 CCCCN B110359 [1,1,0,0,0,0|0,0,0]=2 1633 B4R0.2 CCCCN B152519 [1,1,0,0,0,0|0,0,0]=2 1634 B4R0.2 CCCCN B152886 [1,1,0,0,0,0|0,0,0]=2 1635 B4R0.2 CCCCN B152948 [1,1,0,0,0,0|0,0,0]=2 1636 B4R0.2 CCCCN B491792 [1,1,0,0,0,0|0,0,0]=2 1637 B4R0.2 CCCCN B492127 [1,1,0,0,0,0|0,0,0]=2 1638 B4R0.2 CCCCN B492132 [1,1,0,0,0,0|0,0,0]=2 1639 B4R0.2 CCCCN B492157 [1,1,0,0,0,0|0,0,0]=2 1640 B4R0.2 CCCCN B494094 [1,1,0,0,0,0|0,0,0]=2 1641 B4R0.2 CCCCO B111569 [1,1,0,0,0,0|0,0,0]=2 1642 B4R0.2 CCCCO B111571 [1,1,0,0,0,0|0,0,0]=2 1643 B4R0.2 CCCCO B111573 [1,1,0,0,0,0|0,0,0]=2 1644 B4R0.2 CCCCO B111575 [1,1,0,0,0,0|0,0,0]=2 1645 B4R0.2 CCCCO B111577 [1,1,0,0,0,0|0,0,0]=2 1646 B4R0.2 CCCCO B111578 [1,1,0,0,0,0|0,0,0]=2 1647 B4R0.2 CCCCO B111580 [1,1,0,0,0,0|0,0,0]=2 1648 B4R0.2 CCCCO B111581 [1,1,0,0,0,0|0,0,0]=2 1649 B4R0.2 CCCCO B119677 [1,1,0,0,0,0|0,0,0]=2 1650 B4R0.2 CCCCO B400251 [1,1,0,0,0,0|0,0,0]=2 1651 B4R0.2 CCCCO B433378 [1,1,0,0,0,0|0,0,0]=2 1652 B4R0.2 CCCCO B474143 [1,1,0,0,0,0|0,0,0]=2 1653 B4R0.2 CCCCO H348242 [1,1,0,0,0,0|0,0,0]=2 1654 B4R0.2 CCCCO P340766 [1,1,0,0,0,0|0,0,0]=2 1655 B4R0.2 CCCCS B105716 [1,1,0,0,0,0|0,0,0]=2 1656 B4R0.2 CCCCS B105717 [1,1,0,0,0,0|0,0,0]=2 1657 B4R0.2 CCCC[CH2-] P331063 [1,1,0,0,0,0|0,0,0]=2 1658 B4R0.2 CCCC[CH2-] P466408 [1,1,0,0,0,0|0,0,0]=2 1659 B4R0.2 CCCC[O-] N335856 [1,1,0,0,0,0|0,0,0]=2 1660 B4R0.2 CCCC[O-] T104104 [1,1,0,0,0,0|0,0,0]=2 1661 B4R0.2 CCCC[O-] T104105 [1,1,0,0,0,0|0,0,0]=2 1662 B4R0.2 CCCC[O-] T304454 [1,1,0,0,0,0|0,0,0]=2 1663 B4R0.2 CCCC[O-] T350722 [1,1,0,0,0,0|0,0,0]=2 1664 B4R0.2 CCCC[O-] Z106334 [1,1,0,0,0,0|0,0,0]=2 1665 B4R0.2 CCCNC M124663 [1,1,0,0,0,0|0,0,0]=2 1666 B4R0.2 CCCSC M158417 [1,1,0,0,0,0|0,0,0]=2 1667 B4R0.2 CCN=C=S E140613 [1,1,0,0,0,0|0,1,1]=4 1668 B4R0.2 CCNC=O N159329 [1,1,0,0,0,0|0,0,2]=4 1669 B4R0.2 CCNCC D110465 [1,1,0,0,0,0|0,0,0]=2 1670 B4R0.2 CCNCC D110466 [1,1,0,0,0,0|0,0,0]=2 1671 B4R0.2 CCNCC D110469 [1,1,0,0,0,0|0,0,0]=2 1672 B4R0.2 CCNCC D110470 [1,1,0,0,0,0|0,0,0]=2 1673 B4R0.2 CCNCC D154676 [1,1,0,0,0,0|0,0,0]=2 1674 B4R0.2 CCNCC D155612 [1,1,0,0,0,0|0,0,0]=2 1675 B4R0.2 CCNCC E102892 [1,1,0,0,0,0|0,0,0]=2 1676 B4R0.2 CCNCC E102893 [1,1,0,0,0,0|0,0,0]=2 1677 B4R0.2 CCOC#C E113364 [1,1,0,0,0,0|0,0,2]=4 1678 B4R0.2 CCOC#C E579852 [1,1,0,0,0,0|0,0,2]=4 1679 B4R0.2 CCOC=C P475896 [1,1,0,0,0,0|0,0,2]=4 1680 B4R0.2 CCOC=O E110412 [1,1,0,0,0,0|0,0,2]=4 1681 B4R0.2 CCOC=O E110414 [1,1,0,0,0,0|0,0,2]=4 1682 B4R0.2 CCOC=O E110415 [1,1,0,0,0,0|0,0,2]=4 1683 B4R0.2 CCOC=O E110417 [1,1,0,0,0,0|0,0,2]=4 1684 B4R0.2 CCOC=O E139940 [1,1,0,0,0,0|0,0,2]=4 1685 B4R0.2 CCOCC B104430 [1,1,0,0,0,0|0,0,0]=2 1686 B4R0.2 CCOCC B104431 [1,1,0,0,0,0|0,0,0]=2 1687 B4R0.2 CCOCC B299094 [1,1,0,0,0,0|0,0,0]=2 1688 B4R0.2 CCOCC B431395 [1,1,0,0,0,0|0,0,0]=2 1689 B4R0.2 CCOCC M345280 [1,1,0,0,0,0|0,0,0]=2 1690 B4R0.2 CCOCC T189182 [1,1,0,0,0,0|0,0,0]=2 1691 B4R0.2 CCOCC T498340 [1,1,0,0,0,0|0,0,0]=2 1692 B4R0.2 CCOCCl C137178 [1,1,0,0,0,0|1,0,0]=3 1693 B4R0.2 CCSC#N E156402 [1,1,0,0,0,0|1,0,1]=4 1694 B4R0.2 CCSC=C E156347 [1,1,0,0,0,0|0,0,2]=4 1695 B4R0.2 CCSCC C130098 [1,1,0,0,0,0|0,0,0]=2 1696 B4R0.2 CCSCC D105796 [1,1,0,0,0,0|0,0,0]=2 1697 B4R0.2 CC[N-]CC L283253 [1,1,0,0,0,0|0,0,0]=2 1698 B4R0.2 CC[Si]CC D331180 [1,1,0,0,0,0|0,0,0]=2 1699 B4R0.2 CNCC#C N467806 [1,1,0,0,0,0|0,0,2]=4 1700 B4R0.2 CNCC#N M102241 [1,1,0,0,0,0|1,0,1]=4 1701 B4R0.2 CNCC#N M158300 [1,1,0,0,0,0|1,0,1]=4 1702 B4R0.2 CNCC=C I136680 [1,1,0,0,0,0|0,0,2]=4 1703 B4R0.2 CNCCBr B589001 [1,1,0,0,0,0|1,0,0]=3 1704 B4R0.2 CNCCCl M303747 [1,1,0,0,0,0|1,0,0]=3 1705 B4R0.2 CNCCN N159347 [1,1,0,0,0,0|1,0,0]=3 1706 B4R0.2 CNCCO M106448 [1,1,0,0,0,0|0,0,0]=2 1707 B4R0.2 CNCCO M589702 [1,1,0,0,0,0|0,0,0]=2 1708 B4R0.2 COCC#C M157951 [1,1,0,0,0,0|0,0,2]=4 1709 B4R0.2 COCC#N M158576 [1,1,0,0,0,0|1,0,1]=4 1710 B4R0.2 COCC=C A135232 [1,1,0,0,0,0|0,0,2]=4 1711 B4R0.2 COCCBr B139139 [1,1,0,0,0,0|1,0,0]=3 1712 B4R0.2 COCCCl C108060 [1,1,0,0,0,0|1,0,0]=3 1713 B4R0.2 COCCN M138018 [1,1,0,0,0,0|1,0,0]=3 1714 B4R0.2 COCCN M404735 [1,1,0,0,0,0|1,0,0]=3 1715 B4R0.2 COCCN M493557 [1,1,0,0,0,0|1,0,0]=3 1716 B4R0.2 COCCO M102852 [1,1,0,0,0,0|0,0,0]=2 1717 B4R0.2 COCCO M102853 [1,1,0,0,0,0|0,0,0]=2 1718 B4R0.2 COCCO M102854 [1,1,0,0,0,0|0,0,0]=2 1719 B4R0.2 COCCO M102855 [1,1,0,0,0,0|0,0,0]=2 1720 B4R0.2 COCCO M102856 [1,1,0,0,0,0|0,0,0]=2 1721 B4R0.2 COCCO M102857 [1,1,0,0,0,0|0,0,0]=2 1722 B4R0.2 COCCO M102858 [1,1,0,0,0,0|0,0,0]=2 1723 B4R0.2 COCCO M119725 [1,1,0,0,0,0|0,0,0]=2 1724 B4R0.2 COCOC D101433 [1,1,0,0,0,0|1,0,0]=3 1725 B4R0.2 COCOC D101436 [1,1,0,0,0,0|1,0,0]=3 1726 B4R0.2 COCOC F431409 [1,1,0,0,0,0|1,0,0]=3 1727 B4R0.2 CSCC#N M158307 [1,1,0,0,0,0|1,0,1]=4 1728 B4R0.2 CSCC=C A101060 [1,1,0,0,0,0|0,0,2]=4 1729 B4R0.2 CSCCCl C153648 [1,1,0,0,0,0|1,0,0]=3 1730 B4R0.2 CSCCN M113671 [1,1,0,0,0,0|1,0,0]=3 1731 B4R0.2 CSCCN M194629 [1,1,0,0,0,0|1,0,0]=3 1732 B4R0.2 CSCCO M138946 [1,1,0,0,0,0|0,0,0]=2 1733 B4R0.2 CSCSC B140648 [1,1,0,0,0,0|1,0,0]=3 1734 B4R0.2 CSSSC D103087 [1,1,0,0,0,0|2,0,0]=4 1735 B4R0.3 CC(C)(Br)Br D155306 [1,1,0,0,0,0|1,0,0]=3 1736 B4R0.3 CC(C)(C)Br B105784 [1,1,0,0,0,0|1,0,0]=3 1737 B4R0.3 CC(C)(C)Br B105785 [1,1,0,0,0,0|1,0,0]=3 1738 B4R0.3 CC(C)(C)Br B472013 [1,1,0,0,0,0|1,0,0]=3 1739 B4R0.3 CC(C)(C)Cl C104795 [1,1,0,0,0,0|1,0,0]=3 1740 B4R0.3 CC(C)(C)Cl C104796 [1,1,0,0,0,0|1,0,0]=3 1741 B4R0.3 CC(C)(C)I I157543 [1,1,0,0,0,0|1,0,0]=3 1742 B4R0.3 CC(C)(C)N B103866 [1,1,0,0,0,0|1,0,0]=3 1743 B4R0.3 CC(C)(C)N B103867 [1,1,0,0,0,0|1,0,0]=3 1744 B4R0.3 CC(C)(C)N B103868 [1,1,0,0,0,0|1,0,0]=3 1745 B4R0.3 CC(C)(C)N B103869 [1,1,0,0,0,0|1,0,0]=3 1746 B4R0.3 CC(C)(C)N B134008 [1,1,0,0,0,0|1,0,0]=3 1747 B4R0.3 CC(C)(C)N T135027 [1,1,0,0,0,0|1,0,0]=3 1748 B4R0.3 CC(C)(C)N T162439 [1,1,0,0,0,0|1,0,0]=3 1749 B4R0.3 CC(C)(C)N T162742 [1,1,0,0,0,0|1,0,0]=3 1750 B4R0.3 CC(C)(C)N T292793 [1,1,0,0,0,0|1,0,0]=3 1751 B4R0.3 CC(C)(C)O T110349 [1,1,0,0,0,0|0,0,0]=2 1752 B4R0.3 CC(C)(C)O T110350 [1,1,0,0,0,0|0,0,0]=2 1753 B4R0.3 CC(C)(C)O T110351 [1,1,0,0,0,0|0,0,0]=2 1754 B4R0.3 CC(C)(C)O T110352 [1,1,0,0,0,0|0,0,0]=2 1755 B4R0.3 CC(C)(C)O T110354 [1,1,0,0,0,0|0,0,0]=2 1756 B4R0.3 CC(C)(C)O T119717 [1,1,0,0,0,0|0,0,0]=2 1757 B4R0.3 CC(C)(C)O T133421 [1,1,0,0,0,0|0,0,0]=2 1758 B4R0.3 CC(C)(C)O T282372 [1,1,0,0,0,0|0,0,0]=2 1759 B4R0.3 CC(C)(C)O T346927 [1,1,0,0,0,0|0,0,0]=2 1760 B4R0.3 CC(C)(C)S B100006 [1,1,0,0,0,0|0,1,0]=3 1761 B4R0.3 CC(C)(C)[O-] L110963 [1,1,0,0,0,0|0,0,1]=3 1762 B4R0.3 CC(C)(C)[O-] L118703 [1,1,0,0,0,0|0,0,1]=3 1763 B4R0.3 CC(C)(C)[O-] Z346706 [1,1,0,0,0,0|0,0,1]=3 1764 B4R0.3 CC(C)(Cl)Cl D128121 [1,1,0,0,0,0|1,0,0]=3 1765 B4R0.3 CP(=O)(C)C T304351 [1,1,0,0,0,0|1,0,1]=4 1766 B4R0.3 CP(=O)(C)O D333676 [1,1,0,0,0,0|1,0,0]=3 1767 B4R0.3 CS(=N)(=O)C D404176 [1,1,0,0,0,0|1,0,1]=4 1768 B4R0.3 CS(=O)(=O)C D109386 [1,1,0,0,0,0|1,0,1]=4 1769 B4R0.3 CS(=O)(=O)C D109387 [1,1,0,0,0,0|1,0,1]=4 1770 B4R0.3 CS(=O)(=O)C D474183 [1,1,0,0,0,0|1,0,1]=4 1771 B4R0.3 CS(=O)(=O)O M108501 [1,1,0,0,0,0|2,0,0]=4 1772 B4R0.3 CS(=O)(=O)O M108502 [1,1,0,0,0,0|2,0,0]=4 1773 B4R0.3 CS(=O)(=O)O M108503 [1,1,0,0,0,0|2,0,0]=4 1774 B4R0.3 CS(=O)(=O)O M108504 [1,1,0,0,0,0|2,0,0]=4 1775 B4R0.3 CS(=O)(=O)O M433629 [1,1,0,0,0,0|2,0,0]=4 1776 B4R0.3 C[As](=O)(C)O C109768 [1,1,0,0,0,0|1,0,0]=3 1777 B4R0.3 C[As](=O)(C)O D119806 [1,1,0,0,0,0|1,0,0]=3 1778 B4R0.3 C[As](=O)(C)[O-] S464785 [1,1,0,0,0,0|1,0,1]=4 1779 B4R0.3 C[N+](C)(C)C A108090 [1,1,0,0,0,0|2,0,0]=4 1780 B4R0.3 C[N+](C)(C)C T100317 [1,1,0,0,0,0|2,0,0]=4 1781 B4R0.3 C[N+](C)(C)C T102279 [1,1,0,0,0,0|2,0,0]=4 1782 B4R0.3 C[N+](C)(C)C T102653 [1,1,0,0,0,0|2,0,0]=4 1783 B4R0.3 C[N+](C)(C)C T102976 [1,1,0,0,0,0|2,0,0]=4 1784 B4R0.3 C[N+](C)(C)C T102977 [1,1,0,0,0,0|2,0,0]=4 1785 B4R0.3 C[N+](C)(C)C T103011 [1,1,0,0,0,0|2,0,0]=4 1786 B4R0.3 C[N+](C)(C)C T105041 [1,1,0,0,0,0|2,0,0]=4 1787 B4R0.3 C[N+](C)(C)C T110540 [1,1,0,0,0,0|2,0,0]=4 1788 B4R0.3 C[N+](C)(C)C T110542 [1,1,0,0,0,0|2,0,0]=4 1789 B4R0.3 C[N+](C)(C)C T118435 [1,1,0,0,0,0|2,0,0]=4 1790 B4R0.3 C[N+](C)(C)C T119019 [1,1,0,0,0,0|2,0,0]=4 1791 B4R0.3 C[N+](C)(C)C T120743 [1,1,0,0,0,0|2,0,0]=4 1792 B4R0.3 C[N+](C)(C)C T122412 [1,1,0,0,0,0|2,0,0]=4 1793 B4R0.3 C[N+](C)(C)C T139946 [1,1,0,0,0,0|2,0,0]=4 1794 B4R0.3 C[N+](C)(C)C T139947 [1,1,0,0,0,0|2,0,0]=4 1795 B4R0.3 C[N+](C)(C)C T162440 [1,1,0,0,0,0|2,0,0]=4 1796 B4R0.3 C[N+](C)(C)C T162866 [1,1,0,0,0,0|2,0,0]=4 1797 B4R0.3 C[N+](C)(C)C T165299 [1,1,0,0,0,0|2,0,0]=4 1798 B4R0.3 C[N+](C)(C)C T301586 [1,1,0,0,0,0|2,0,0]=4 1799 B4R0.3 C[N+](C)(C)C T304060 [1,1,0,0,0,0|2,0,0]=4 1800 B4R0.3 C[N+](C)(C)C T348037 [1,1,0,0,0,0|2,0,0]=4 1801 B4R0.3 C[N+](C)(C)C T433606 [1,1,0,0,0,0|2,0,0]=4 1802 B4R0.3 C[N+](C)(C)N T169598 [1,1,0,0,0,0|2,0,0]=4 1803 B4R0.3 C[N+](C)(C)[O-] T162063 [1,1,0,0,0,0|1,0,1]=4 1804 B4R0.3 C[N+](C)(C)[O-] T162064 [1,1,0,0,0,0|1,0,1]=4 1805 B4R0.3 C[N+](C)(C)[O-] T336882 [1,1,0,0,0,0|1,0,1]=4 1806 B4R0.3 C[N+](C)(C)[O-] T425177 [1,1,0,0,0,0|1,0,1]=4 1807 B4R0.3 C[P+](C)(C)C T121849 [1,1,0,0,0,0|2,0,0]=4 1808 B4R0.3 C[P+](C)(C)C T121850 [1,1,0,0,0,0|2,0,0]=4 1809 B4R0.3 C[S+](=O)(C)C B301265 [1,1,0,0,0,0|1,0,1]=4 1810 B4R0.3 C[S+](=O)(C)C T161670 [1,1,0,0,0,0|1,0,1]=4 1811 B4R0.3 C[S+](=O)(C)C T161671 [1,1,0,0,0,0|1,0,1]=4 1812 B4R0.3 C[Si](C)(C)Br B109499 [1,1,0,0,0,0|1,1,0]=4 1813 B4R0.3 C[Si](C)(C)Br B140645 [1,1,0,0,0,0|1,1,0]=4 1814 B4R0.3 C[Si](C)(C)Cl C104813 [1,1,0,0,0,0|1,1,0]=4 1815 B4R0.3 C[Si](C)(C)Cl C104814 [1,1,0,0,0,0|1,1,0]=4 1816 B4R0.3 C[Si](C)(C)Cl C131616 [1,1,0,0,0,0|1,1,0]=4 1817 B4R0.3 C[Si](C)(C)I I100104 [1,1,0,0,0,0|1,1,0]=4 1818 B4R0.3 C[Si](C)(C)O T123055 [1,1,0,0,0,0|0,1,0]=3 1819 B4R0.3 C[Si](C)(C)[O-] L300534 [1,1,0,0,0,0|0,1,1]=4 1820 B4R0.3 C[Si](C)(Cl)Cl S304386 [1,1,0,0,0,0|1,1,0]=4 1821 B4R0.3 C[Sn](C)(C)C T299634 [1,1,0,0,0,0|2,0,0]=4 1822 B4R0.3 C[Sn](C)(C)Cl T113978 [1,1,0,0,0,0|2,0,0]=4 1823 B4R0.3 C[Sn](C)(C)Cl T113979 [1,1,0,0,0,0|2,0,0]=4 1824 B4R0.3 C[Sn](C)(Cl)Cl D114131 [1,1,0,0,0,0|2,0,0]=4 1825 B4R0.3 C[Sn](C)(Cl)Cl D118644 [1,1,0,0,0,0|2,0,0]=4 1826 B6R0.1 C(C#N)C(CCl)O C123021 [0,2,0,0,0,0|0,0,1]=3 1827 B6R0.1 C(C#N)C(CCl)O S190446 [0,2,0,0,0,0|0,0,1]=3 1828 B6R0.1 C(CO)C(CO)O B105549 [0,2,0,0,0,0|0,0,0]=2 1829 B6R0.1 C(CO)C(CO)O B118474 [0,2,0,0,0,0|0,0,0]=2 1830 B6R0.1 C(CO)C(CO)O R472595 [0,2,0,0,0,0|0,0,0]=2 1831 B6R0.1 C(CO)C(CO)O S102777 [0,2,0,0,0,0|0,0,0]=2 1832 B6R0.1 CC(CC=O)SC M102934 [0,2,0,0,0,0|0,1,1]=4 1833 B6R0.1 CC(CCO)OC M102190 [0,2,0,0,0,0|0,0,0]=2 1834 B6R0.1 CC(COC)OC D155537 [0,2,0,0,0,0|0,0,0]=2 1835 B6R0.1 CCC(=O)C=CC E404567 [0,2,0,0,0,0|0,0,2]=4 1836 B6R0.1 CCC(=O)C=CC H111425 [0,2,0,0,0,0|0,0,2]=4 1837 B6R0.1 CCC(=O)OC=C V162937 [0,2,0,0,0,0|1,0,1]=4 1838 B6R0.1 CCC(=O)OCC E103457 [0,2,0,0,0,0|0,0,2]=4 1839 B6R0.1 CCC(=O)OCC E103458 [0,2,0,0,0,0|0,0,2]=4 1840 B6R0.1 CCC(=O)OCC E103459 [0,2,0,0,0,0|0,0,2]=4 1841 B6R0.1 CCC(=O)OCC E103460 [0,2,0,0,0,0|0,0,2]=4 1842 B6R0.1 CCC(=O)OCC E278958 [0,2,0,0,0,0|0,0,2]=4 1843 B6R0.1 CCC(=O)SCC S133123 [0,2,0,0,0,0|0,0,2]=4 1844 B6R0.1 CCC(C)N=C=S B140604 [0,2,0,0,0,0|0,1,0]=3 1845 B6R0.1 CCC(C)OCC S161060 [0,2,0,0,0,0|0,0,0]=2 1846 B6R0.1 CCC(CC#C)O H157361 [0,2,0,0,0,0|0,0,0]=2 1847 B6R0.1 CCC(CCN)N D155073 [0,2,0,0,0,0|1,0,0]=3 1848 B6R0.1 CCC(COC)N A151357 [0,2,0,0,0,0|1,0,0]=3 1849 B6R0.1 CCC(COC)O M158749 [0,2,0,0,0,0|0,0,0]=2 1850 B6R0.1 CCC=C(C)C=O M102187 [0,2,0,0,0,0|0,0,2]=4 1851 B6R0.1 CCCC(=O)CC H106710 [0,2,0,0,0,0|0,0,2]=4 1852 B6R0.1 CCCC(=O)OC M100038 [0,2,0,0,0,0|0,0,2]=4 1853 B6R0.1 CCCC(=O)OC M100039 [0,2,0,0,0,0|0,0,2]=4 1854 B6R0.1 CCCC(=O)OC M100040 [0,2,0,0,0,0|0,0,2]=4 1855 B6R0.1 CCCC(=O)SC M102997 [0,2,0,0,0,0|0,0,2]=4 1856 B6R0.1 CCCC(C#C)O H101580 [0,2,0,0,0,0|0,0,1]=3 1857 B6R0.1 CCCC(C)C=O M158691 [0,2,0,0,0,0|0,0,1]=3 1858 B6R0.1 CCCC(C)CC M158521 [0,2,0,0,0,0|1,0,0]=3 1859 B6R0.1 CCCC(C)CO M113625 [0,2,0,0,0,0|0,0,0]=2 1860 B6R0.1 CCCC(C=C)O H157268 [0,2,0,0,0,0|0,0,1]=3 1861 B6R0.1 CCCC(CC)Br B152444 [0,2,0,0,0,0|1,0,0]=3 1862 B6R0.1 CCCC(CC)Cl C153662 [0,2,0,0,0,0|1,0,0]=3 1863 B6R0.1 CCCC(CC)O H133955 [0,2,0,0,0,0|0,0,0]=2 1864 B6R0.1 CCCC(CO)N D333561 [0,2,0,0,0,0|1,0,0]=3 1865 B6R0.1 CCCC(CO)N I168777 [0,2,0,0,0,0|1,0,0]=3 1866 B6R0.1 CCCC(CO)O P108068 [0,2,0,0,0,0|0,0,0]=2 1867 B6R0.1 CCOC(=NO)C E124202 [0,2,0,0,0,0|0,0,1]=3 1868 B6R0.1 CCOC(=O)CBr E106090 [0,2,0,0,0,0|0,0,2]=4 1869 B6R0.1 CCOC(=O)CCl E105166 [0,2,0,0,0,0|0,0,2]=4 1870 B6R0.1 CCOC(=O)CCl E105167 [0,2,0,0,0,0|0,0,2]=4 1871 B6R0.1 CCOC(=O)CF E107563 [0,2,0,0,0,0|0,0,2]=4 1872 B6R0.1 CCOC(=O)CN G105477 [0,2,0,0,0,0|0,0,2]=4 1873 B6R0.1 CCOC(=O)CO E101730 [0,2,0,0,0,0|0,0,2]=4 1874 B6R0.1 CCOC(=O)CS E109439 [0,2,0,0,0,0|0,0,2]=4 1875 B6R0.1 CCOC(=O)OC E110111 [0,2,0,0,0,0|0,0,2]=4 1876 B6R0.1 CCOC(=O)OC E433135 [0,2,0,0,0,0|0,0,2]=4 1877 B6R0.1 CNCC(CO)O M157918 [0,2,0,0,0,0|0,0,0]=2 1878 B6R0.1 COC(=O)CCBr M158830 [0,2,0,0,0,0|0,0,2]=4 1879 B6R0.1 COC(=O)CCN A104532 [0,2,0,0,0,0|0,0,2]=4 1880 B6R0.1 COC(=O)CCO D304149 [0,2,0,0,0,0|0,0,2]=4 1881 B6R0.1 COC(=O)CCS M107600 [0,2,0,0,0,0|0,0,2]=4 1882 B6R0.1 COC(=O)CSC M120419 [0,2,0,0,0,0|0,0,2]=4 1883 B6R0.1 COCC(=O)OC M106398 [0,2,0,0,0,0|0,0,2]=4 1884 B6R0.1 COCC(CCl)O C153895 [0,2,0,0,0,0|0,0,0]=2 1885 B6R0.1 COCC(CN)O A479789 [0,2,0,0,0,0|0,0,0]=2 1886 B6R0.1 COCC(CO)O M135227 [0,2,0,0,0,0|0,0,0]=2 1887 B6R0.2 B(CC(C)C)(O)O M120307 [0,2,0,0,0,0|2,0,0]=4 1888 B6R0.2 B(CC(C)C)(O)O M299536 [0,2,0,0,0,0|2,0,0]=4 1889 B6R0.2 CC(=CC(=O)C)O A118525 [0,2,0,0,0,0|0,0,2]=4 1890 B6R0.2 CC(=CC(=O)C)O A118538 [0,2,0,0,0,0|0,0,2]=4 1891 B6R0.2 CC(=CC(=O)C)O A579873 [0,2,0,0,0,0|0,0,2]=4 1892 B6R0.2 CC(=CC(=O)C)O B152272 [0,2,0,0,0,0|0,0,2]=4 1893 B6R0.2 CC(=CC(=O)C)O C109323 [0,2,0,0,0,0|0,0,2]=4 1894 B6R0.2 CC(=CC(=O)C)O C140817 [0,2,0,0,0,0|0,0,2]=4 1895 B6R0.2 CC(=CC(=O)C)O C283471 [0,2,0,0,0,0|0,0,2]=4 1896 B6R0.2 CC(=CC(=O)C)O C486854 [0,2,0,0,0,0|0,0,2]=4 1897 B6R0.2 CC(=CC(=O)C)O D302912 [0,2,0,0,0,0|0,0,2]=4 1898 B6R0.2 CC(=CC(=O)C)O E302901 [0,2,0,0,0,0|0,0,2]=4 1899 B6R0.2 CC(=CC(=O)C)O E347622 [0,2,0,0,0,0|0,0,2]=4 1900 B6R0.2 CC(=CC(=O)C)O G304265 [0,2,0,0,0,0|0,0,2]=4 1901 B6R0.2 CC(=CC(=O)C)O H107857 [0,2,0,0,0,0|0,0,2]=4 1902 B6R0.2 CC(=CC(=O)C)O I138305 [0,2,0,0,0,0|0,0,2]=4 1903 B6R0.2 CC(=CC(=O)C)O I294571 [0,2,0,0,0,0|0,0,2]=4 1904 B6R0.2 CC(=CC(=O)C)O M106182 [0,2,0,0,0,0|0,0,2]=4 1905 B6R0.2 CC(=CC(=O)C)O P101065 [0,2,0,0,0,0|0,0,2]=4 1906 B6R0.2 CC(=CC(=O)C)O P119025 [0,2,0,0,0,0|0,0,2]=4 1907 B6R0.2 CC(=CC(=O)C)O P119026 [0,2,0,0,0,0|0,0,2]=4 1908 B6R0.2 CC(=CC(=O)C)O P293928 [0,2,0,0,0,0|0,0,2]=4 1909 B6R0.2 CC(=CC(=O)C)O R118502 [0,2,0,0,0,0|0,0,2]=4 1910 B6R0.2 CC(=CC(=O)C)O R118539 [0,2,0,0,0,0|0,0,2]=4 1911 B6R0.2 CC(=CC(=O)C)O R118540 [0,2,0,0,0,0|0,0,2]=4 1912 B6R0.2 CC(=CC(=O)C)O R294372 [0,2,0,0,0,0|0,0,2]=4 1913 B6R0.2 CC(=CC(=O)C)O R639975 [0,2,0,0,0,0|0,0,2]=4 1914 B6R0.2 CC(=CC(=O)C)O S298504 [0,2,0,0,0,0|0,0,2]=4 1915 B6R0.2 CC(=CC(=O)C)O T283063 [0,2,0,0,0,0|0,0,2]=4 1916 B6R0.2 CC(=CC(=O)C)O T302818 [0,2,0,0,0,0|0,0,2]=4 1917 B6R0.2 CC(=CC(=O)C)O T302908 [0,2,0,0,0,0|0,0,2]=4 1918 B6R0.2 CC(=CC(=O)C)O V109324 [0,2,0,0,0,0|0,0,2]=4 1919 B6R0.2 CC(=CC(=O)C)O V109325 [0,2,0,0,0,0|0,0,2]=4 1920 B6R0.2 CC(=CC(=O)C)O Y191992 [0,2,0,0,0,0|0,0,2]=4 1921 B6R0.2 CC(=CC(=O)C)O Y283039 [0,2,0,0,0,0|0,0,2]=4 1922 B6R0.2 CC(=O)CC(=O)C A110366 [0,2,0,0,0,0|0,0,2]=4 1923 B6R0.2 CC(=O)CC(=O)C A110367 [0,2,0,0,0,0|0,0,2]=4 1924 B6R0.2 CC(=O)CC(=O)C A110370 [0,2,0,0,0,0|0,0,2]=4 1925 B6R0.2 CC(=O)CN(C)C D167514 [0,2,0,0,0,0|0,0,2]=4 1926 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,2,0,0,0,0|0,0,2]=4 1927 B6R0.2 CC(C)C=C(C)C D155423 [0,2,0,0,0,0|1,0,1]=4 1928 B6R0.2 CC(C)CC(=O)C M108736 [0,2,0,0,0,0|1,0,0]=3 1929 B6R0.2 CC(C)CC(=O)C M108737 [0,2,0,0,0,0|1,0,0]=3 1930 B6R0.2 CC(C)CC(=O)C M108738 [0,2,0,0,0,0|1,0,0]=3 1931 B6R0.2 CC(C)CC(=O)C M108740 [0,2,0,0,0,0|1,0,0]=3 1932 B6R0.2 CC(C)CC(=O)C M108741 [0,2,0,0,0,0|1,0,0]=3 1933 B6R0.2 CC(C)CC(=O)C M492092 [0,2,0,0,0,0|1,0,0]=3 1934 B6R0.2 CC(C)CC(=O)Cl I157679 [0,2,0,0,0,0|1,0,1]=4 1935 B6R0.2 CC(C)CC(=O)O I108280 [0,2,0,0,0,0|1,0,1]=4 1936 B6R0.2 CC(C)CC(=O)O I108281 [0,2,0,0,0,0|1,0,1]=4 1937 B6R0.2 CC(C)CC(=O)O I424338 [0,2,0,0,0,0|1,0,1]=4 1938 B6R0.2 CC(C)CC(=O)O I432771 [0,2,0,0,0,0|1,0,1]=4 1939 B6R0.2 CC(C)CC(C)C D155236 [0,2,0,0,0,0|1,0,0]=3 1940 B6R0.2 CC(C)CC(C)N D154510 [0,2,0,0,0,0|1,0,0]=3 1941 B6R0.2 CC(C)CC(C)O M104491 [0,2,0,0,0,0|0,0,0]=2 1942 B6R0.2 CC(C)NC(=O)C N586389 [0,2,0,0,0,0|0,0,2]=4 1943 B6R0.2 CC(C)NC(C)C D108297 [0,2,0,0,0,0|1,0,0]=3 1944 B6R0.2 CC(C)NC(C)C D108298 [0,2,0,0,0,0|1,0,0]=3 1945 B6R0.2 CC(C)NC(C)C D108299 [0,2,0,0,0,0|1,0,0]=3 1946 B6R0.2 CC(C)NC(C)C D108300 [0,2,0,0,0,0|1,0,0]=3 1947 B6R0.2 CC(C)NC(C)C D108301 [0,2,0,0,0,0|1,0,0]=3 1948 B6R0.2 CC(C)NC(C)C D135665 [0,2,0,0,0,0|1,0,0]=3 1949 B6R0.2 CC(C)NC(C)C D154669 [0,2,0,0,0,0|1,0,0]=3 1950 B6R0.2 CC(C)NC(C)C D399268 [0,2,0,0,0,0|1,0,0]=3 1951 B6R0.2 CC(C)NC(C)C D404340 [0,2,0,0,0,0|1,0,0]=3 1952 B6R0.2 CC(C)NC(C)C D494183 [0,2,0,0,0,0|1,0,0]=3 1953 B6R0.2 CC(C)OC(=O)C I103453 [0,2,0,0,0,0|0,0,2]=4 1954 B6R0.2 CC(C)OC(=O)C I103454 [0,2,0,0,0,0|0,0,2]=4 1955 B6R0.2 CC(C)OC(=O)C I103455 [0,2,0,0,0,0|0,0,2]=4 1956 B6R0.2 CC(C)OC(C)C I110454 [0,2,0,0,0,0|1,0,0]=3 1957 B6R0.2 CC(C)OC(C)C I110455 [0,2,0,0,0,0|1,0,0]=3 1958 B6R0.2 CC(C)OC(C)C I110457 [0,2,0,0,0,0|1,0,0]=3 1959 B6R0.2 CC(C)OC(C)C I110458 [0,2,0,0,0,0|1,0,0]=3 1960 B6R0.2 CC(C)OC(C)C I119694 [0,2,0,0,0,0|1,0,0]=3 1961 B6R0.2 CC(C)SC(C)C I157604 [0,2,0,0,0,0|1,0,0]=3 1962 B6R0.2 CC(CC(=O)O)Br B169132 [0,2,0,0,0,0|1,0,1]=4 1963 B6R0.2 CC(CC(=O)O)Cl C153466 [0,2,0,0,0,0|1,0,1]=4 1964 B6R0.2 CC(CC(=O)O)N A100948 [0,2,0,0,0,0|1,0,1]=4 1965 B6R0.2 CC(CC(=O)O)N H117041 [0,2,0,0,0,0|1,0,1]=4 1966 B6R0.2 CC(CC(=O)O)N R184127 [0,2,0,0,0,0|1,0,1]=4 1967 B6R0.2 CC(CC(=O)O)N S193074 [0,2,0,0,0,0|1,0,1]=4 1968 B6R0.2 CC(CC(=O)O)O P347707 [0,2,0,0,0,0|0,0,1]=3 1969 B6R0.2 CC(CC(=O)O)O R304188 [0,2,0,0,0,0|0,0,1]=3 1970 B6R0.2 CC(CC(=O)O)O R425172 [0,2,0,0,0,0|0,0,1]=3 1971 B6R0.2 CC(CC(=O)O)O S161108 [0,2,0,0,0,0|0,0,1]=3 1972 B6R0.2 CC(CC(=O)O)O S194215 [0,2,0,0,0,0|0,0,1]=3 1973 B6R0.2 CC(CC(=O)[O-])O B301134 [0,2,0,0,0,0|0,0,1]=3 1974 B6R0.2 CC(CC(=O)[O-])O H121822 [0,2,0,0,0,0|0,0,1]=3 1975 B6R0.2 CC(CC(=O)[O-])O X131756 [0,2,0,0,0,0|0,0,1]=3 1976 B6R0.2 CC(CC(C)Br)Br D155303 [0,2,0,0,0,0|1,0,0]=3 1977 B6R0.2 CC(CC(C)O)O R160958 [0,2,0,0,0,0|0,0,0]=2 1978 B6R0.2 CC(CC(C)O)O S161001 [0,2,0,0,0,0|0,0,0]=2 1979 B6R0.2 CC(CN(C)C)Cl C153815 [0,2,0,0,0,0|1,0,0]=3 1980 B6R0.2 CC(CN(C)C)O B282542 [0,2,0,0,0,0|0,0,0]=2 1981 B6R0.2 CC(CN(C)C)O D155704 [0,2,0,0,0,0|0,0,0]=2 1982 B6R0.2 CC(OC(=O)C)Br B303662 [0,2,0,0,0,0|0,0,2]=4 1983 B6R0.2 CN(C)CC(=O)O D115675 [0,2,0,0,0,0|1,0,1]=4 1984 B6R0.2 CN(C)CC(=O)O N159831 [0,2,0,0,0,0|1,0,1]=4 1985 B6R0.2 CN(C)CC(=O)O N420632 [0,2,0,0,0,0|1,0,1]=4 1986 B6R0.2 CN(C)CN(C)C N159372 [0,2,0,0,0,0|2,0,0]=4 1987 B6R0.3 B(C(C)CC)(O)O B120306 [0,2,0,0,0,0|0,0,0]=2 1988 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,2,0,0,0,0|1,0,1]=4 1989 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,2,0,0,0,0|1,0,1]=4 1990 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,2,0,0,0,0|1,0,1]=4 1991 B6R0.3 C(C(C(=O)O)N)N D102444 [0,2,0,0,0,0|1,0,1]=4 1992 B6R0.3 C(C(C(=O)O)N)N D102445 [0,2,0,0,0,0|1,0,1]=4 1993 B6R0.3 C(C(C(=O)O)N)N O105987 [0,2,0,0,0,0|1,0,1]=4 1994 B6R0.3 C(C(C(=O)O)N)N S161147 [0,2,0,0,0,0|1,0,1]=4 1995 B6R0.3 C(C(C(=O)O)N)O D423121 [0,2,0,0,0,0|1,0,1]=4 1996 B6R0.3 C(C(C(=O)O)N)O D423225 [0,2,0,0,0,0|1,0,1]=4 1997 B6R0.3 C(C(C(=O)O)N)O L424779 [0,2,0,0,0,0|1,0,1]=4 1998 B6R0.3 C(C(C(=O)O)N)O L476400 [0,2,0,0,0,0|1,0,1]=4 1999 B6R0.3 C(C(C(=O)O)N)O S103483 [0,2,0,0,0,0|1,0,1]=4 2000 B6R0.3 C(C(C(=O)O)N)O S105977 [0,2,0,0,0,0|1,0,1]=4 2001 B6R0.3 C(C(C(=O)O)N)O S108219 [0,2,0,0,0,0|1,0,1]=4 2002 B6R0.3 C(C(C(=O)O)N)O S118658 [0,2,0,0,0,0|1,0,1]=4 2003 B6R0.3 C(C(C(=O)O)N)O S137887 [0,2,0,0,0,0|1,0,1]=4 2004 B6R0.3 C(C(C(=O)O)N)O S137888 [0,2,0,0,0,0|1,0,1]=4 2005 B6R0.3 C(C(C(=O)O)N)O S432938 [0,2,0,0,0,0|1,0,1]=4 2006 B6R0.3 C(C(C(=O)O)N)S C108237 [0,2,0,0,0,0|1,0,1]=4 2007 B6R0.3 C(C(C(=O)O)N)S C108238 [0,2,0,0,0,0|1,0,1]=4 2008 B6R0.3 C(C(C(=O)O)N)S C110184 [0,2,0,0,0,0|1,0,1]=4 2009 B6R0.3 C(C(C(=O)O)N)S C110436 [0,2,0,0,0,0|1,0,1]=4 2010 B6R0.3 C(C(C(=O)O)N)S C110437 [0,2,0,0,0,0|1,0,1]=4 2011 B6R0.3 C(C(C(=O)O)N)S C113143 [0,2,0,0,0,0|1,0,1]=4 2012 B6R0.3 C(C(C(=O)O)N)S C118575 [0,2,0,0,0,0|1,0,1]=4 2013 B6R0.3 C(C(C(=O)O)N)S D304972 [0,2,0,0,0,0|1,0,1]=4 2014 B6R0.3 C(C(C(=O)O)N)S L424532 [0,2,0,0,0,0|1,0,1]=4 2015 B6R0.3 C(C(C(=O)O)N)S L424534 [0,2,0,0,0,0|1,0,1]=4 2016 B6R0.3 C(C(C(=O)O)N)S L432833 [0,2,0,0,0,0|1,0,1]=4 2017 B6R0.3 C(C(C(=O)O)N)S S161428 [0,2,0,0,0,0|1,0,1]=4 2018 B6R0.3 C(C(C(=O)O)N)S S588042 [0,2,0,0,0,0|1,0,1]=4 2019 B6R0.3 C(C(C(=O)O)O)N I123583 [0,2,0,0,0,0|1,0,1]=4 2020 B6R0.3 C(C(C(=O)O)O)N S137278 [0,2,0,0,0,0|1,0,1]=4 2021 B6R0.3 C(C(C(=O)O)O)O D278734 [0,2,0,0,0,0|1,0,1]=4 2022 B6R0.3 CC(=NO)C(=O)C D111028 [0,2,0,0,0,0|0,0,2]=4 2023 B6R0.3 CC(=NO)C(=O)C D111029 [0,2,0,0,0,0|0,0,2]=4 2024 B6R0.3 CC(=O)N(C)OC N159405 [0,2,0,0,0,0|1,0,1]=4 2025 B6R0.3 CC(C(=O)NC)N L354750 [0,2,0,0,0,0|0,0,2]=4 2026 B6R0.3 CC(C(=O)O)NC I133832 [0,2,0,0,0,0|1,0,0]=3 2027 B6R0.3 CC(C(=O)O)NC I135858 [0,2,0,0,0,0|1,0,0]=3 2028 B6R0.3 CC(C(=O)O)NC N303350 [0,2,0,0,0,0|1,0,0]=3 2029 B6R0.3 CC(C(=O)O)OC M193402 [0,2,0,0,0,0|1,0,0]=3 2030 B6R0.3 CC(C(=O)O)OC P477810 [0,2,0,0,0,0|1,0,0]=3 2031 B6R0.3 CC(C(=O)OC)Br M117975 [0,2,0,0,0,0|0,0,2]=4 2032 B6R0.3 CC(C(=O)OC)Cl M102467 [0,2,0,0,0,0|0,0,2]=4 2033 B6R0.3 CC(C(=O)OC)Cl M110142 [0,2,0,0,0,0|0,0,2]=4 2034 B6R0.3 CC(C(=O)OC)Cl M158574 [0,2,0,0,0,0|0,0,2]=4 2035 B6R0.3 CC(C(=O)OC)N A100771 [0,2,0,0,0,0|0,0,2]=4 2036 B6R0.3 CC(C(=O)OC)N A100815 [0,2,0,0,0,0|0,0,2]=4 2037 B6R0.3 CC(C(=O)OC)N A116955 [0,2,0,0,0,0|0,0,2]=4 2038 B6R0.3 CC(C(=O)OC)O M132799 [0,2,0,0,0,0|0,0,1]=3 2039 B6R0.3 CC(C(=O)OC)O M158257 [0,2,0,0,0,0|0,0,1]=3 2040 B6R0.3 CC(C(=O)OC)O M158854 [0,2,0,0,0,0|0,0,1]=3 2041 B6R0.3 CC(C(CO)N)O S134976 [0,2,0,0,0,0|0,0,0]=2 2042 B6R0.3 CC(C(CO)N)O T117147 [0,2,0,0,0,0|0,0,0]=2 2043 B6R0.3 CC(C(CO)O)O B152043 [0,2,0,0,0,0|0,0,0]=2 2044 B6R0.3 CC(C)C(=O)OC M100041 [0,2,0,0,0,0|0,0,2]=4 2045 B6R0.3 CC(C)C(CO)N S160983 [0,2,0,0,0,0|1,0,0]=3 2046 B6R0.3 CC(C)C(CO)N V117153 [0,2,0,0,0,0|1,0,0]=3 2047 B6R0.3 CC(C)C(CO)N V118431 [0,2,0,0,0,0|1,0,0]=3 2048 B6R0.3 CC(C=C)C(=O)O M404731 [0,2,0,0,0,0|0,0,2]=4 2049 B6R0.3 CC(CBr)C(=O)O B135992 [0,2,0,0,0,0|1,0,0]=3 2050 B6R0.3 CC(CN)C(=O)O D131745 [0,2,0,0,0,0|1,0,0]=3 2051 B6R0.3 CC(CN)C(=O)O R340811 [0,2,0,0,0,0|1,0,0]=3 2052 B6R0.3 CC(CN)C(=O)O S340803 [0,2,0,0,0,0|1,0,0]=3 2053 B6R0.3 CC(CO)C(=O)O R343446 [0,2,0,0,0,0|1,0,0]=3 2054 B6R0.3 CC(CS)C(=O)O M158216 [0,2,0,0,0,0|1,0,0]=3 2055 B6R0.3 CC=C(C)C(=O)O B137277 [0,2,0,0,0,0|0,0,2]=4 2056 B6R0.3 CC=C(C)C(=O)O T107164 [0,2,0,0,0,0|0,0,2]=4 2057 B6R0.3 CC=C(C)C(C)C C153480 [0,2,0,0,0,0|1,0,1]=4 2058 B6R0.3 CCC(=C)C(=O)O E477290 [0,2,0,0,0,0|0,0,2]=4 2059 B6R0.3 CCC(=O)C(=O)C P106293 [0,2,0,0,0,0|0,0,2]=4 2060 B6R0.3 CCC(=O)C(=O)O K106253 [0,2,0,0,0,0|1,0,1]=4 2061 B6R0.3 CCC(=O)C(C)C M158840 [0,2,0,0,0,0|1,0,0]=3 2062 B6R0.3 CCC(=O)N(C)C D128096 [0,2,0,0,0,0|0,0,2]=4 2063 B6R0.3 CCC(C(=O)Br)Br B135808 [0,2,0,0,0,0|1,0,1]=4 2064 B6R0.3 CCC(C(=O)C)S M102973 [0,2,0,0,0,0|0,1,0]=3 2065 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,2,0,0,0,0|1,0,1]=4 2066 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,2,0,0,0,0|1,0,1]=4 2067 B6R0.3 CCC(C(=O)N)Cl B301389 [0,2,0,0,0,0|1,0,1]=4 2068 B6R0.3 CCC(C(=O)N)N A119770 [0,2,0,0,0,0|1,0,1]=4 2069 B6R0.3 CCC(C(=O)N)N A124384 [0,2,0,0,0,0|1,0,1]=4 2070 B6R0.3 CCC(C(=O)O)Br B108037 [0,2,0,0,0,0|1,0,0]=3 2071 B6R0.3 CCC(C(=O)O)Cl C153465 [0,2,0,0,0,0|1,0,0]=3 2072 B6R0.3 CCC(C(=O)O)Cl S161173 [0,2,0,0,0,0|1,0,0]=3 2073 B6R0.3 CCC(C(=O)O)N A109788 [0,2,0,0,0,0|1,0,0]=3 2074 B6R0.3 CCC(C(=O)O)N A111241 [0,2,0,0,0,0|1,0,0]=3 2075 B6R0.3 CCC(C(=O)O)N A111260 [0,2,0,0,0,0|1,0,0]=3 2076 B6R0.3 CCC(C(=O)O)N A414642 [0,2,0,0,0,0|1,0,0]=3 2077 B6R0.3 CCC(C(=O)O)N D422924 [0,2,0,0,0,0|1,0,0]=3 2078 B6R0.3 CCC(C(=O)O)O D298806 [0,2,0,0,0,0|0,0,1]=3 2079 B6R0.3 CCC(C(=O)O)O S192800 [0,2,0,0,0,0|0,0,1]=3 2080 B6R0.3 CCC(C(=O)[O-])O H101414 [0,2,0,0,0,0|0,0,1]=3 2081 B6R0.3 CCC(C(C)C)O M304012 [0,2,0,0,0,0|0,0,0]=2 2082 B6R0.3 CCC(C)C(=O)C M158800 [0,2,0,0,0,0|0,0,1]=3 2083 B6R0.3 CCC(C)C(=O)O I167890 [0,2,0,0,0,0|0,0,0]=2 2084 B6R0.3 CCC(C)C(=O)O M107377 [0,2,0,0,0,0|0,0,0]=2 2085 B6R0.3 CCC(C)C(C)C D155235 [0,2,0,0,0,0|1,0,0]=3 2086 B6R0.3 CCC(C)C(C)C D465563 [0,2,0,0,0,0|1,0,0]=3 2087 B6R0.3 CCN(C)C(=O)C N193140 [0,2,0,0,0,0|0,0,2]=4 2088 B6R0.3 CCN(C)C(=O)Cl N159123 [0,2,0,0,0,0|1,0,1]=4 2089 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,2,0,0,0,0|1,0,1]=4 2090 B6R0.4 B(CCCC)(O)O B101013 [0,2,0,0,0,0|2,0,0]=4 2091 B6R0.4 C#CCCC(=O)O P133515 [0,2,0,0,0,0|1,0,1]=4 2092 B6R0.4 C(CC(=O)O)C#N C191241 [0,2,0,0,0,0|1,0,1]=4 2093 B6R0.4 C(CC(=O)O)CBr B106907 [0,2,0,0,0,0|1,0,1]=4 2094 B6R0.4 C(CC(=O)O)CCl C134513 [0,2,0,0,0,0|1,0,1]=4 2095 B6R0.4 C(CC(=O)O)CN A104200 [0,2,0,0,0,0|1,0,1]=4 2096 B6R0.4 C(CC(=O)O)CN A293557 [0,2,0,0,0,0|1,0,1]=4 2097 B6R0.4 C(CC(=O)O)CN A424756 [0,2,0,0,0,0|1,0,1]=4 2098 B6R0.4 C(CC(=O)O)CN A468499 [0,2,0,0,0,0|1,0,1]=4 2099 B6R0.4 C(CC(=O)O)CN A472038 [0,2,0,0,0,0|1,0,1]=4 2100 B6R0.4 C(CC(=O)O)CN G276591 [0,2,0,0,0,0|1,0,1]=4 2101 B6R0.4 C(CN)C[P+](=O)O A275461 [0,2,0,0,0,0|2,0,0]=4 2102 B6R0.4 C=CCCC(=O)O P160582 [0,2,0,0,0,0|1,0,1]=4 2103 B6R0.4 CC(=CCCBr)C B470663 [0,2,0,0,0,0|1,0,1]=4 2104 B6R0.4 CC(=O)CCC=C H113634 [0,2,0,0,0,0|0,0,2]=4 2105 B6R0.4 CC(=O)CCCBr B345087 [0,2,0,0,0,0|0,0,2]=4 2106 B6R0.4 CC(=O)CCCCl C108070 [0,2,0,0,0,0|0,0,2]=4 2107 B6R0.4 CC(=O)CCSC M135087 [0,2,0,0,0,0|0,0,2]=4 2108 B6R0.4 CC(=O)NCCN A117219 [0,2,0,0,0,0|0,0,2]=4 2109 B6R0.4 CC(=O)NCCO A112970 [0,2,0,0,0,0|0,0,2]=4 2110 B6R0.4 CC(=O)NCCO A112971 [0,2,0,0,0,0|0,0,2]=4 2111 B6R0.4 CC(=O)NCCS N347842 [0,2,0,0,0,0|0,0,2]=4 2112 B6R0.4 CC(=O)OCCBr B102635 [0,2,0,0,0,0|0,0,2]=4 2113 B6R0.4 CC(=O)OCCCl A140396 [0,2,0,0,0,0|0,0,2]=4 2114 B6R0.4 CC(=O)OCCN A588049 [0,2,0,0,0,0|0,0,2]=4 2115 B6R0.4 CC(=O)OCCO H156959 [0,2,0,0,0,0|0,0,2]=4 2116 B6R0.4 CC(=O)SCCN T340735 [0,2,0,0,0,0|0,0,2]=4 2117 B6R0.4 CC(C)CCC#N I157667 [0,2,0,0,0,0|1,0,0]=3 2118 B6R0.4 CC(C)CCC=O M586390 [0,2,0,0,0,0|1,0,0]=3 2119 B6R0.4 CC(C)CCCBr B152440 [0,2,0,0,0,0|1,0,0]=3 2120 B6R0.4 CC(C)CCCO I136441 [0,2,0,0,0,0|1,0,0]=3 2121 B6R0.4 CC(C)CN=C=S I140612 [0,2,0,0,0,0|1,0,1]=4 2122 B6R0.4 CC(C)COC=C I109049 [0,2,0,0,0,0|1,0,1]=4 2123 B6R0.4 CC(C)COC=C I109050 [0,2,0,0,0,0|1,0,1]=4 2124 B6R0.4 CC(C)COC=O I141415 [0,2,0,0,0,0|1,0,1]=4 2125 B6R0.4 CC(C)COC=O I432878 [0,2,0,0,0,0|1,0,1]=4 2126 B6R0.4 CC(C)CON=O I157486 [0,2,0,0,0,0|2,0,0]=4 2127 B6R0.4 CC(C)NCC=C N339371 [0,2,0,0,0,0|1,0,1]=4 2128 B6R0.4 CC(C)NCCN N159348 [0,2,0,0,0,0|1,0,0]=3 2129 B6R0.4 CC(C)NCCO I157482 [0,2,0,0,0,0|1,0,0]=3 2130 B6R0.4 CC(C)NCCO I431393 [0,2,0,0,0,0|1,0,0]=3 2131 B6R0.4 CC(C)OCCO I106814 [0,2,0,0,0,0|1,0,0]=3 2132 B6R0.4 CC(CCCBr)Br D155307 [0,2,0,0,0,0|1,0,0]=3 2133 B6R0.4 CC(CCCO)O P171240 [0,2,0,0,0,0|0,0,0]=2 2134 B6R0.4 CC=CCC(=O)O P165142 [0,2,0,0,0,0|1,0,1]=4 2135 B6R0.4 CCC#CC(=O)O P137286 [0,2,0,0,0,0|1,0,1]=4 2136 B6R0.4 CCC=CC(=O)O T162309 [0,2,0,0,0,0|1,0,1]=4 2137 B6R0.4 CCCCC(=O)C H105743 [0,2,0,0,0,0|0,0,2]=4 2138 B6R0.4 CCCCC(=O)C H105744 [0,2,0,0,0,0|0,0,2]=4 2139 B6R0.4 CCCCC(=O)C H111491 [0,2,0,0,0,0|0,0,2]=4 2140 B6R0.4 CCCCC(=O)C H141140 [0,2,0,0,0,0|0,0,2]=4 2141 B6R0.4 CCCCC(=O)O V108269 [0,2,0,0,0,0|1,0,1]=4 2142 B6R0.4 CCCCC(=O)O V108270 [0,2,0,0,0,0|1,0,1]=4 2143 B6R0.4 CCCCC(=O)O V108271 [0,2,0,0,0,0|1,0,1]=4 2144 B6R0.4 CCCCC(=O)O V108272 [0,2,0,0,0,0|1,0,1]=4 2145 B6R0.4 CCCCC(=O)O V302252 [0,2,0,0,0,0|1,0,1]=4 2146 B6R0.4 CCCCC(C)C M158516 [0,2,0,0,0,0|1,0,0]=3 2147 B6R0.4 CCCCC(C)Cl C153661 [0,2,0,0,0,0|1,0,0]=3 2148 B6R0.4 CCCCC(C)N B301374 [0,2,0,0,0,0|1,0,0]=3 2149 B6R0.4 CCCCC(C)O H105565 [0,2,0,0,0,0|0,0,0]=2 2150 B6R0.4 CCCCC(C)O I170762 [0,2,0,0,0,0|0,0,0]=2 2151 B6R0.4 CCCCC(C)O R588494 [0,2,0,0,0,0|0,0,0]=2 2152 B6R0.4 CCCCN(C)C D108036 [0,2,0,0,0,0|2,0,0]=4 2153 B6R0.4 CCCC[Sn](=O)O M107696 [0,2,0,0,0,0|2,0,0]=4 2154 B6R0.4 CCCOC(=O)C P103882 [0,2,0,0,0,0|0,0,2]=4 2155 B6R0.4 CCCOC(=O)C P103883 [0,2,0,0,0,0|0,0,2]=4 2156 B6R0.4 CCCSC(=O)C S161333 [0,2,0,0,0,0|0,0,2]=4 2157 B6R0.4 CCCSC(C)C I157608 [0,2,0,0,0,0|1,0,0]=3 2158 B6R0.4 CCNCC(=O)O N159193 [0,2,0,0,0,0|1,0,1]=4 2159 B6R0.4 CCOCC(=O)O E156174 [0,2,0,0,0,0|1,0,1]=4 2160 B6R0.4 CCOCC(C)O E110143 [0,2,0,0,0,0|0,0,0]=2 2161 B6R0.4 CCSCC(=O)O E300419 [0,2,0,0,0,0|1,0,1]=4 2162 B6R0.4 CN(C)CCC#N D135309 [0,2,0,0,0,0|2,0,0]=4 2163 B6R0.4 CN(C)CCCBr B194072 [0,2,0,0,0,0|2,0,0]=4 2164 B6R0.4 CN(C)CCCCl C353600 [0,2,0,0,0,0|2,0,0]=4 2165 B6R0.4 CN(C)CCCCl D154697 [0,2,0,0,0,0|2,0,0]=4 2166 B6R0.4 CN(C)CCCN D110909 [0,2,0,0,0,0|2,0,0]=4 2167 B6R0.4 CN(C)CCCN N493682 [0,2,0,0,0,0|2,0,0]=4 2168 B6R0.4 CN(C)CCCN N494190 [0,2,0,0,0,0|2,0,0]=4 2169 B6R0.4 CN(C)CCCO D106344 [0,2,0,0,0,0|2,0,0]=4 2170 B6R0.4 CNCCC(=O)O M183299 [0,2,0,0,0,0|1,0,1]=4 2171 B6R0.4 CNCCN(C)C N159374 [0,2,0,0,0,0|2,0,0]=4 2172 B6R0.4 CNCCN(C)C N192745 [0,2,0,0,0,0|2,0,0]=4 2173 B6R0.4 COCCC(=O)O M169065 [0,2,0,0,0,0|1,0,1]=4 2174 B6R0.4 CSCCC(=O)O M158072 [0,2,0,0,0,0|1,0,1]=4 2175 B6R0.5 C(CCl)C(Cl)(Cl)Cl T162278 [0,2,0,0,0,0|2,0,0]=4 2176 B6R0.5 C(CCl)C(F)(F)F C193494 [0,2,0,0,0,0|2,0,0]=4 2177 B6R0.5 C(CCl)P(=O)(O)O E113521 [0,2,0,0,0,0|2,0,0]=4 2178 B6R0.5 C(CI)C(F)(F)F T121977 [0,2,0,0,0,0|2,0,0]=4 2179 B6R0.5 C(CN)C(F)(F)F T176044 [0,2,0,0,0,0|2,0,0]=4 2180 B6R0.5 C(CO)C(F)(F)F T121584 [0,2,0,0,0,0|2,0,0]=4 2181 B6R0.5 C(CP(=O)(O)O)N A168405 [0,2,0,0,0,0|2,0,0]=4 2182 B6R0.5 C(CS(=O)(=O)O)N T103829 [0,2,0,0,0,0|2,0,0]=4 2183 B6R0.5 C(CS(=O)(=O)O)N T103831 [0,2,0,0,0,0|2,0,0]=4 2184 B6R0.5 C(CS(=O)(=O)O)N T420524 [0,2,0,0,0,0|2,0,0]=4 2185 B6R0.5 C(CS(=O)(=O)O)N T474176 [0,2,0,0,0,0|2,0,0]=4 2186 B6R0.5 C(CS(=O)(=O)O)O H113068 [0,2,0,0,0,0|2,0,0]=4 2187 B6R0.5 C(CS(=O)(=O)O)S S304898 [0,2,0,0,0,0|2,0,0]=4 2188 B6R0.5 CC(C)(C)CC=O D133103 [0,2,0,0,0,0|1,0,1]=4 2189 B6R0.5 CC(C)(C)CCBr B405387 [0,2,0,0,0,0|1,0,0]=3 2190 B6R0.5 CC(C)(C)CCN D468789 [0,2,0,0,0,0|1,0,0]=3 2191 B6R0.5 CC(C)(C)CCO D139098 [0,2,0,0,0,0|1,0,0]=3 2192 B6R0.5 CC(C)(CC#N)O H167089 [0,2,0,0,0,0|0,0,1]=3 2193 B6R0.5 CC(C)(CCN)O A483316 [0,2,0,0,0,0|0,0,0]=2 2194 B6R0.5 CC(C)(CCO)O M106425 [0,2,0,0,0,0|0,0,0]=2 2195 B6R0.5 CC(C)(CCO)S M138699 [0,2,0,0,0,0|0,1,0]=3 2196 B6R0.5 CC(C)(CSC)N M588894 [0,2,0,0,0,0|1,0,0]=3 2197 B6R0.5 CCCC(C)(C)C D106287 [0,2,0,0,0,0|1,0,0]=3 2198 B6R0.5 CCCS(=O)(=O)O P477137 [0,2,0,0,0,0|2,0,0]=4 2199 B6R0.5 CCC[N+](C)(C)C T162053 [0,2,0,0,0,0|2,0,0]=4 2200 B6R0.5 CCC[Si](C)(C)Cl C153294 [0,2,0,0,0,0|1,1,0]=4 2201 B6R0.5 CCC[Si](C)(Cl)Cl D349601 [0,2,0,0,0,0|1,1,0]=4 2202 B6R0.5 CCOC(C)(C)C B108911 [0,2,0,0,0,0|1,0,0]=3 2203 B6R0.5 CCOC(C)(C)C B108912 [0,2,0,0,0,0|1,0,0]=3 2204 B6R0.5 CCOS(=O)(=O)C E103933 [0,2,0,0,0,0|1,0,1]=4 2205 B6R0.5 CCO[Si](C)(C)C E109944 [0,2,0,0,0,0|1,1,0]=4 2206 B6R0.5 CCO[Si](C)(C)C E140804 [0,2,0,0,0,0|1,1,0]=4 2207 B6R0.5 COC[Si](C)(C)C M157801 [0,2,0,0,0,0|1,1,0]=4 2208 B6R0.5 CS(=O)(=O)CCBr B587566 [0,2,0,0,0,0|1,0,1]=4 2209 B6R0.5 CS(=O)(=O)CCN A130035 [0,2,0,0,0,0|1,0,1]=4 2210 B6R0.5 CS(=O)(=O)CCN M589262 [0,2,0,0,0,0|1,0,1]=4 2211 B6R0.5 CS(=O)(=O)CCO H157188 [0,2,0,0,0,0|1,0,1]=4 2212 B6R0.5 C[N+](C)(C)CCBr B108989 [0,2,0,0,0,0|2,0,0]=4 2213 B6R0.5 C[N+](C)(C)CCCl C113520 [0,2,0,0,0,0|2,0,0]=4 2214 B6R0.5 C[N+](C)(C)CCCl C114434 [0,2,0,0,0,0|2,0,0]=4 2215 B6R0.5 C[N+](C)(C)CCCl C114435 [0,2,0,0,0,0|2,0,0]=4 2216 B6R0.5 C[N+](C)(C)CCN A339683 [0,2,0,0,0,0|2,0,0]=4 2217 B6R0.5 C[N+](C)(C)CCO C108896 [0,2,0,0,0,0|2,0,0]=4 2218 B6R0.5 C[N+](C)(C)CCO C108897 [0,2,0,0,0,0|2,0,0]=4 2219 B6R0.5 C[N+](C)(C)CCO C108898 [0,2,0,0,0,0|2,0,0]=4 2220 B6R0.5 C[N+](C)(C)CCO C153893 [0,2,0,0,0,0|2,0,0]=4 2221 B6R0.5 C[N+](C)(C)CCO C166651 [0,2,0,0,0,0|2,0,0]=4 2222 B6R0.5 C[N+](C)(C)CCO C333456 [0,2,0,0,0,0|2,0,0]=4 2223 B6R0.5 C[N+](C)(C)CCO C425396 [0,2,0,0,0,0|2,0,0]=4 2224 B6R0.5 C[N+](C)(C)CCO C471988 [0,2,0,0,0,0|2,0,0]=4 2225 B6R0.5 C[N+](C)(C)CCO C472029 [0,2,0,0,0,0|2,0,0]=4 2226 B6R0.5 C[Si](C)(C)CCBr B135566 [0,2,0,0,0,0|1,1,0]=4 2227 B6R0.5 C[Si](C)(C)CCO T111253 [0,2,0,0,0,0|1,1,0]=4 2228 B6R0.8 C(C(CCl)(Cl)Cl)Cl T162281 [0,2,0,0,0,0|2,0,0]=4 2229 B6R0.8 C(C(CO)(F)F)N A587411 [0,2,0,0,0,0|2,0,0]=4 2230 B6R0.8 C(C(CO)(F)F)O D184503 [0,2,0,0,0,0|2,0,0]=4 2231 B6R0.8 CC(C)(CCl)CCl D155310 [0,2,0,0,0,0|2,0,0]=4 2232 B6R0.8 CC(C)(CN)CN D155089 [0,2,0,0,0,0|2,0,0]=4 2233 B6R0.8 CC(C)(CO)C=O H304097 [0,2,0,0,0,0|1,0,1]=4 2234 B6R0.8 CC(C)(CO)CBr B301654 [0,2,0,0,0,0|1,0,0]=3 2235 B6R0.8 CC(C)(CO)CCl C113524 [0,2,0,0,0,0|1,0,0]=3 2236 B6R0.8 CC(C)(CO)CO N103689 [0,2,0,0,0,0|1,0,0]=3 2237 B6R0.8 CC(C)(CO)CO N306016 [0,2,0,0,0,0|1,0,0]=3 2238 B6R0.8 CC(C)(CO)NC M192487 [0,2,0,0,0,0|1,0,0]=3 2239 B6R0.8 CC(C)(CO)OC M588252 [0,2,0,0,0,0|1,0,0]=3 2240 B6R0.8 CC(C)(OC)OC D105750 [0,2,0,0,0,0|1,0,0]=3 2241 B6R0.8 CC(C)(OC)ON O159944 [0,2,0,0,0,0|1,0,0]=3 2242 B6R0.8 CC(C=C)(C#C)O M157956 [0,2,0,0,0,0|0,0,2]=4 2243 B6R0.8 CC(CO)(CO)N A106026 [0,2,0,0,0,0|1,0,0]=3 2244 B6R0.8 CCC(C)(C#C)N M165842 [0,2,0,0,0,0|1,0,0]=3 2245 B6R0.8 CCC(C)(C#C)O M106691 [0,2,0,0,0,0|0,0,0]=2 2246 B6R0.8 CCC(C)(C)OC T105930 [0,2,0,0,0,0|0,0,0]=2 2247 B6R0.8 CCC(C)(C)OC T105931 [0,2,0,0,0,0|0,0,0]=2 2248 B6R0.8 CCC(C)(C)OC T485859 [0,2,0,0,0,0|0,0,0]=2 2249 B6R0.8 CCC(C)(CC)Cl C334524 [0,2,0,0,0,0|1,0,0]=3 2250 B6R0.8 CCC(C)(CC)O M102200 [0,2,0,0,0,0|0,0,0]=2 2251 B6R0.8 CCP(=O)(CC)O D590241 [0,2,0,0,0,0|1,0,0]=3 2252 B6R0.8 CCP(=O)(CC)[O-] A303123 [0,2,0,0,0,0|1,0,1]=4 2253 B6R0.8 CCS(=O)(=O)CC D304098 [0,2,0,0,0,0|1,0,1]=4 2254 B6R0.8 CC[N+](C)(C)CC D140684 [0,2,0,0,0,0|2,0,0]=4 2255 B6R0.8 CC[Si](CC)(Cl)Cl D154925 [0,2,0,0,0,0|1,1,0]=4 2256 B6R0.8 COP(=O)(O)OC D186732 [0,2,0,0,0,0|2,0,0]=4 2257 B6R0.8 CO[Si](C)(C)CCl C191682 [0,2,0,0,0,0|1,1,0]=4 2258 B6R0.8 CO[Si](C)(C)OC D110285 [0,2,0,0,0,0|1,1,0]=4 2259 B6R0.8 CO[Si](C)(C)OC D431473 [0,2,0,0,0,0|1,1,0]=4 2260 B6R0.9 B(CC)(CC)CC T106572 [0,2,0,0,0,0|2,0,0]=4 2261 B6R0.9 B(OC)(OC)OC T104043 [0,2,0,0,0,0|2,0,0]=4 2262 B6R0.9 B(OC)(OC)OC T104044 [0,2,0,0,0,0|2,0,0]=4 2263 B6R0.9 B(OC)(OC)OC T111488 [0,2,0,0,0,0|2,0,0]=4 2264 B6R0.9 B(OC)(OC)OC T111489 [0,2,0,0,0,0|2,0,0]=4 2265 B6R0.9 B(OC)(OC)OC T431603 [0,2,0,0,0,0|2,0,0]=4 2266 B6R0.9 C(C(=NO)CO)O D154972 [0,2,0,0,0,0|1,0,1]=4 2267 B6R0.9 C(C(CO)CO)O H170489 [0,2,0,0,0,0|1,0,0]=3 2268 B6R0.9 CCC(=CC)CC E156180 [0,2,0,0,0,0|1,0,1]=4 2269 B6R0.9 CCC(CC)C=O E156502 [0,2,0,0,0,0|0,0,1]=3 2270 B6R0.9 CCC(CC)CBr B152449 [0,2,0,0,0,0|1,0,0]=3 2271 B6R0.9 CCC(CC)CC E156241 [0,2,0,0,0,0|1,0,0]=3 2272 B6R0.9 CCC(CC)CCl C467301 [0,2,0,0,0,0|1,0,0]=3 2273 B6R0.9 CCC(CC)CO E109374 [0,2,0,0,0,0|0,0,0]=2 2274 B6R0.9 CCC(CO)OC M158746 [0,2,0,0,0,0|0,0,0]=2 2275 B6R0.9 CCC(OC)OC P160797 [0,2,0,0,0,0|0,0,0]=2 2276 B6R0.9 CCN(CC)C#N D154665 [0,2,0,0,0,0|2,0,0]=4 2277 B6R0.9 CCN(CC)C=O D102964 [0,2,0,0,0,0|1,0,1]=4 2278 B6R0.9 CCN(CC)CC F302957 [0,2,0,0,0,0|2,0,0]=4 2279 B6R0.9 CCN(CC)CC S161206 [0,2,0,0,0,0|2,0,0]=4 2280 B6R0.9 CCN(CC)CC T103284 [0,2,0,0,0,0|2,0,0]=4 2281 B6R0.9 CCN(CC)CC T103285 [0,2,0,0,0,0|2,0,0]=4 2282 B6R0.9 CCN(CC)CC T103287 [0,2,0,0,0,0|2,0,0]=4 2283 B6R0.9 CCN(CC)CC T103288 [0,2,0,0,0,0|2,0,0]=4 2284 B6R0.9 CCN(CC)CC T103289 [0,2,0,0,0,0|2,0,0]=4 2285 B6R0.9 CCN(CC)CC T103290 [0,2,0,0,0,0|2,0,0]=4 2286 B6R0.9 CCN(CC)CC T107263 [0,2,0,0,0,0|2,0,0]=4 2287 B6R0.9 CCN(CC)CC T108431 [0,2,0,0,0,0|2,0,0]=4 2288 B6R0.9 CCN(CC)CC T108432 [0,2,0,0,0,0|2,0,0]=4 2289 B6R0.9 CCN(CC)CC T140677 [0,2,0,0,0,0|2,0,0]=4 2290 B6R0.9 CCN(CC)CC T162216 [0,2,0,0,0,0|2,0,0]=4 2291 B6R0.9 CCN(CC)CC T189177 [0,2,0,0,0,0|2,0,0]=4 2292 B6R0.9 CCN(CC)CC T331003 [0,2,0,0,0,0|2,0,0]=4 2293 B6R0.9 CCN(CC)CC T345138 [0,2,0,0,0,0|2,0,0]=4 2294 B6R0.9 CCN(CC)CC T345383 [0,2,0,0,0,0|2,0,0]=4 2295 B6R0.9 CCN(CC)CC T431604 [0,2,0,0,0,0|2,0,0]=4 2296 B6R0.9 CCN(CC)CC T466164 [0,2,0,0,0,0|2,0,0]=4 2297 B6R0.9 CCN(CC)N=O N109570 [0,2,0,0,0,0|1,0,1]=4 2298 B6R0.9 CCN(CC)N=O N109571 [0,2,0,0,0,0|1,0,1]=4 2299 B6R0.9 CCN(CC)N=O N358096 [0,2,0,0,0,0|1,0,1]=4 2300 B6R0.9 CCN(CC)N=O N424700 [0,2,0,0,0,0|1,0,1]=4 2301 B6R0.9 CCP(CC)CC B300038 [0,2,0,0,0,0|2,0,0]=4 2302 B6R0.9 CCP(CC)CC C138296 [0,2,0,0,0,0|2,0,0]=4 2303 B6R0.9 CCP(CC)CC D129150 [0,2,0,0,0,0|2,0,0]=4 2304 B6R0.9 CCP(CC)CC T120625 [0,2,0,0,0,0|2,0,0]=4 2305 B6R0.9 CC[Al](CC)C#N D466157 [0,2,0,0,0,0|2,0,0]=4 2306 B6R0.9 CC[Al](CC)CC T434622 [0,2,0,0,0,0|2,0,0]=4 2307 B6R0.9 CC[O+](CC)CC T109785 [0,2,0,0,0,0|2,0,0]=4 2308 B6R0.9 CC[O+](CC)CC T168010 [0,2,0,0,0,0|2,0,0]=4 2309 B6R0.9 CC[Si](CC)CC T106570 [0,2,0,0,0,0|1,1,0]=4 2310 B6R0.9 COC(C=C)OC A151049 [0,2,0,0,0,0|0,0,2]=4 2311 B6R0.9 COC(C=O)OC D170733 [0,2,0,0,0,0|1,0,1]=4 2312 B6R0.9 COC(CBr)OC B100820 [0,2,0,0,0,0|1,0,0]=3 2313 B6R0.9 COC(CCl)OC C106494 [0,2,0,0,0,0|1,0,0]=3 2314 B6R0.9 COC(CN)OC A107137 [0,2,0,0,0,0|1,0,0]=3 2315 B6R0.9 COC(CO)OC G136545 [0,2,0,0,0,0|1,0,0]=3 2316 B6R0.9 COC(OC)OC T104064 [0,2,0,0,0,0|1,0,0]=3 2317 B6R0.9 COC(OC)OC T104065 [0,2,0,0,0,0|1,0,0]=3 2318 B6R0.9 COP(OC)OC T106148 [0,2,0,0,0,0|2,0,0]=4 2319 B6R0.9 COP(OC)OC T106149 [0,2,0,0,0,0|2,0,0]=4 2320 B6R0.9 CO[Si](OC)OC T107289 [0,2,0,0,0,0|1,1,0]=4 2321 B6R0.7 C(C(F)(F)F)(O)O T137601 [0,2,0,0,0,0|2,0,0]=4 2322 B6R0.7 CC(=C)C(C)(C)C T162384 [0,2,0,0,0,0|1,0,1]=4 2323 B6R0.7 CC(=O)C(C)(C)Br B151949 [0,2,0,0,0,0|0,0,2]=4 2324 B6R0.7 CC(=O)C(C)(C)C P186447 [0,2,0,0,0,0|0,0,2]=4 2325 B6R0.7 CC(=O)C(C)(C)O H138057 [0,2,0,0,0,0|0,0,1]=3 2326 B6R0.7 CC(C(=O)O)(Cl)Cl D114722 [0,2,0,0,0,0|1,0,1]=4 2327 B6R0.7 CC(C(=O)O)(Cl)Cl D140875 [0,2,0,0,0,0|1,0,1]=4 2328 B6R0.7 CC(C(=O)O)(F)F W135486 [0,2,0,0,0,0|1,0,1]=4 2329 B6R0.7 CC(C(C)(C)C)N D113400 [0,2,0,0,0,0|1,0,0]=3 2330 B6R0.7 CC(C(C)(C)C)N D113401 [0,2,0,0,0,0|1,0,0]=3 2331 B6R0.7 CC(C(C)(C)C)N D154517 [0,2,0,0,0,0|1,0,0]=3 2332 B6R0.7 CC(C(F)(F)F)N T588621 [0,2,0,0,0,0|2,0,0]=4 2333 B6R0.7 CC(C(F)(F)F)O T572962 [0,2,0,0,0,0|1,0,0]=3 2334 B6R0.7 CC(C(F)(F)F)O W135487 [0,2,0,0,0,0|1,0,0]=3 2335 B6R0.7 CC(C)(C(=O)N)O H156960 [0,2,0,0,0,0|1,0,1]=4 2336 B6R0.7 CC(C)(C(=O)O)Br B106968 [0,2,0,0,0,0|1,0,1]=4 2337 B6R0.7 CC(C)(C(=O)O)N A117156 [0,2,0,0,0,0|1,0,1]=4 2338 B6R0.7 CC(C)(C(=O)O)O H113439 [0,2,0,0,0,0|1,0,1]=4 2339 B6R0.7 CC(C)(C(=O)O)O H474834 [0,2,0,0,0,0|1,0,1]=4 2340 B6R0.7 CC(C)(C)C(=O)O P101329 [0,2,0,0,0,0|1,0,1]=4 2341 B6R0.7 CC(C)(C)[Si](C)C T162516 [0,2,0,0,0,0|1,1,0]=4 2342 B6R0.7 CC(C)C(C)(C)C T161703 [0,2,0,0,0,0|1,0,0]=3 2343 B6R0.7 CC(C)C(C)(C)O D472523 [0,2,0,0,0,0|0,0,0]=2 2344 B6R0.7 CC(C)[Si](C)(C)Cl D155938 [0,2,0,0,0,0|1,1,0]=4 2345 B6R0.7 CC(C)[Si](C)(C)Cl D616584 [0,2,0,0,0,0|1,1,0]=4 2346 B4R1.1 C1CNC1 A103569 [1,0,0,1,0,0|1,0,0]=3 2347 B4R1.1 C1CNC1 A123981 [1,0,0,1,0,0|1,0,0]=3 2348 B4R1.1 C1COC1 T162173 [1,0,0,1,0,0|0,0,0]=2 2349 B4R1.1 C1CSC1 T162103 [1,0,0,1,0,0|0,1,0]=3 2350 B4R1.2 C1CC1Br B107476 [1,0,0,1,0,0|1,0,0]=3 2351 B4R1.2 C1CC1Br B107477 [1,0,0,1,0,0|1,0,0]=3 2352 B4R1.2 C1CC1N C108049 [1,0,0,1,0,0|1,0,0]=3 2353 B4R1.2 C1CC1O C174869 [1,0,0,1,0,0|0,0,0]=2 2354 B4R1.2 CC1=CC1 M303407 [1,0,0,1,0,0|0,0,2]=4 2355 B4R1.2 CC1CO1 K434430 [1,0,0,1,0,0|0,0,0]=2 2356 B4R1.2 CC1CO1 P131340 [1,0,0,1,0,0|0,0,0]=2 2357 B4R1.2 CC1CO1 P131342 [1,0,0,1,0,0|0,0,0]=2 2358 B4R1.2 CC1CO1 P131343 [1,0,0,1,0,0|0,0,0]=2 2359 B4R1.2 CC1CO1 P131344 [1,0,0,1,0,0|0,0,0]=2 2360 B4R1.2 CC1CO1 P131345 [1,0,0,1,0,0|0,0,0]=2 2361 B4R1.2 CC1CO1 P131346 [1,0,0,1,0,0|0,0,0]=2 2362 B4R1.2 CC1CO1 P131347 [1,0,0,1,0,0|0,0,0]=2 2363 B4R1.2 CC1CO1 P140818 [1,0,0,1,0,0|0,0,0]=2 2364 B4R1.2 CC1CO1 P303235 [1,0,0,1,0,0|0,0,0]=2 2365 B4R1.2 CC1CO1 P434419 [1,0,0,1,0,0|0,0,0]=2 2366 B4R1.2 CC1CO1 P434421 [1,0,0,1,0,0|0,0,0]=2 2367 B4R1.2 CC1CO1 P434425 [1,0,0,1,0,0|0,0,0]=2 2368 B4R1.2 CC1CO1 P434427 [1,0,0,1,0,0|0,0,0]=2 2369 B4R1.2 CC1CO1 S434420 [1,0,0,1,0,0|0,0,0]=2 2370 B4R1.2 CC1CS1 P160374 [1,0,0,1,0,0|0,1,0]=3 2371 B6R1.2 C1C=CCC1O C141167 [0,1,0,1,0,0|0,0,1]=3 2372 B6R1.2 C1CC(=N)SC1 I106793 [0,1,0,1,0,0|1,0,1]=4 2373 B6R1.2 C1CC(=N)SC1 I492458 [0,1,0,1,0,0|1,0,1]=4 2374 B6R1.2 C1CC(=NC1)N A151483 [0,1,0,1,0,0|1,0,1]=4 2375 B6R1.2 C1CC(=O)NC1 P112692 [0,1,0,1,0,0|0,0,2]=4 2376 B6R1.2 C1CC(=O)NC1 P468968 [0,1,0,1,0,0|0,0,2]=4 2377 B6R1.2 C1CC(=O)SC1 T472178 [0,1,0,1,0,0|0,0,2]=4 2378 B6R1.2 C1CC(OC1)O H355199 [0,1,0,1,0,0|0,0,0]=2 2379 B6R1.2 C1CCC(=O)C1 C108566 [0,1,0,1,0,0|0,0,2]=4 2380 B6R1.2 C1CCC(=O)C1 C108567 [0,1,0,1,0,0|0,0,2]=4 2381 B6R1.2 C1CCC(=O)C1 C108568 [0,1,0,1,0,0|0,0,2]=4 2382 B6R1.2 C1CCC(=O)C1 C108569 [0,1,0,1,0,0|0,0,2]=4 2383 B6R1.2 C1CCC(C1)Br C105791 [0,1,0,1,0,0|1,0,0]=3 2384 B6R1.2 C1CCC(C1)Cl C153546 [0,1,0,1,0,0|1,0,0]=3 2385 B6R1.2 C1CCC(C1)F F156721 [0,1,0,1,0,0|1,0,0]=3 2386 B6R1.2 C1CCC(C1)I I167554 [0,1,0,1,0,0|1,0,0]=3 2387 B6R1.2 C1CCC(C1)N C111427 [0,1,0,1,0,0|1,0,0]=3 2388 B6R1.2 C1CCC(C1)O C110398 [0,1,0,1,0,0|0,0,0]=2 2389 B6R1.2 C1CCC(C1)S C106982 [0,1,0,1,0,0|0,1,0]=3 2390 B6R1.2 C1CCS(=O)C1 T162808 [0,1,0,1,0,0|1,0,1]=4 2391 B6R1.2 C1CNCC1=O P176320 [0,1,0,1,0,0|0,0,2]=4 2392 B6R1.2 C1CNCC1Br B166798 [0,1,0,1,0,0|1,0,0]=3 2393 B6R1.2 C1CNCC1F I167099 [0,1,0,1,0,0|1,0,0]=3 2394 B6R1.2 C1CNCC1F I167100 [0,1,0,1,0,0|1,0,0]=3 2395 B6R1.2 C1CNCC1N A128215 [0,1,0,1,0,0|1,0,0]=3 2396 B6R1.2 C1CNCC1N R115472 [0,1,0,1,0,0|1,0,0]=3 2397 B6R1.2 C1CNCC1N S115473 [0,1,0,1,0,0|1,0,0]=3 2398 B6R1.2 C1CNCC1O H115463 [0,1,0,1,0,0|0,0,0]=2 2399 B6R1.2 C1CNCC1O H187203 [0,1,0,1,0,0|0,0,0]=2 2400 B6R1.2 C1CNCC1O P121669 [0,1,0,1,0,0|0,0,0]=2 2401 B6R1.2 C1CNCC1O P128587 [0,1,0,1,0,0|0,0,0]=2 2402 B6R1.2 C1CNCC1O S115471 [0,1,0,1,0,0|0,0,0]=2 2403 B6R1.2 C1CNCC1O S161346 [0,1,0,1,0,0|0,0,0]=2 2404 B6R1.2 C1COC(=O)N1 O133460 [0,1,0,1,0,0|1,0,1]=4 2405 B6R1.2 C1COC(=O)O1 E105727 [0,1,0,1,0,0|1,0,1]=4 2406 B6R1.2 C1COC(=O)O1 E105728 [0,1,0,1,0,0|1,0,1]=4 2407 B6R1.2 C1COC(=S)N1 B301323 [0,1,0,1,0,0|1,0,1]=4 2408 B6R1.2 C1COCC1=O T161567 [0,1,0,1,0,0|0,0,2]=4 2409 B6R1.2 C1COCC1Br B175379 [0,1,0,1,0,0|1,0,0]=3 2410 B6R1.2 C1COCC1I I172597 [0,1,0,1,0,0|1,0,0]=3 2411 B6R1.2 C1COCC1N A120073 [0,1,0,1,0,0|1,0,0]=3 2412 B6R1.2 C1COCC1N I165729 [0,1,0,1,0,0|1,0,0]=3 2413 B6R1.2 C1COCC1N S135580 [0,1,0,1,0,0|1,0,0]=3 2414 B6R1.2 C1COCC1N T123495 [0,1,0,1,0,0|1,0,0]=3 2415 B6R1.2 C1COCC1O H107942 [0,1,0,1,0,0|0,0,0]=2 2416 B6R1.2 C1COCC1O H110275 [0,1,0,1,0,0|0,0,0]=2 2417 B6R1.2 C1COCC1O H119958 [0,1,0,1,0,0|0,0,0]=2 2418 B6R1.2 C1COP(O1)Cl C154014 [0,1,0,1,0,0|2,0,0]=4 2419 B6R1.2 C1COS(=O)O1 G120334 [0,1,0,1,0,0|2,0,0]=4 2420 B6R1.2 C1CSCC1=O D106839 [0,1,0,1,0,0|0,0,2]=4 2421 B6R1.2 C=C1CCCC1 M158228 [0,1,0,1,0,0|1,0,1]=4 2422 B6R1.2 CC1=CCCC1 M158230 [0,1,0,1,0,0|1,0,1]=4 2423 B6R1.2 CC1=NCCC1 M187405 [0,1,0,1,0,0|1,0,1]=4 2424 B6R1.2 CC1=NCCN1 M158525 [0,1,0,1,0,0|1,0,1]=4 2425 B6R1.2 CC1=NCCO1 M158497 [0,1,0,1,0,0|0,0,1]=3 2426 B6R1.2 CC1=NCCS1 M103076 [0,1,0,1,0,0|0,1,1]=4 2427 B6R1.2 CC1CCCC1 M101586 [0,1,0,1,0,0|1,0,0]=3 2428 B6R1.2 CC1CCCC1 M101587 [0,1,0,1,0,0|1,0,0]=3 2429 B6R1.2 CC1CCCC1 M101588 [0,1,0,1,0,0|1,0,0]=3 2430 B6R1.2 CC1CCCN1 M121645 [0,1,0,1,0,0|1,0,0]=3 2431 B6R1.2 CC1CCCN1 M341863 [0,1,0,1,0,0|1,0,0]=3 2432 B6R1.2 CC1CCCN1 R173510 [0,1,0,1,0,0|1,0,0]=3 2433 B6R1.2 CC1CCCN1 S589595 [0,1,0,1,0,0|1,0,0]=3 2434 B6R1.2 CC1CCCO1 M106688 [0,1,0,1,0,0|0,0,0]=2 2435 B6R1.2 CC1CCCO1 M106689 [0,1,0,1,0,0|0,0,0]=2 2436 B6R1.2 CC1CCCO1 M119683 [0,1,0,1,0,0|0,0,0]=2 2437 B6R1.2 CC1CCCO1 M298963 [0,1,0,1,0,0|0,0,0]=2 2438 B6R1.2 CC1CCCS1 M138391 [0,1,0,1,0,0|0,1,0]=3 2439 B6R1.2 CC1CCNC1 S175305 [0,1,0,1,0,0|1,0,0]=3 2440 B6R1.2 CC1CCOC1 M302425 [0,1,0,1,0,0|0,0,0]=2 2441 B6R1.2 CC1COCO1 M158513 [0,1,0,1,0,0|0,0,0]=2 2442 B6R1.2 CC1OCCO1 M157785 [0,1,0,1,0,0|0,0,0]=2 2443 B6R1.2 CN1CCCC1 M109523 [0,1,0,1,0,0|2,0,0]=4 2444 B6R1.2 [CH2-]C1OCCO1 D465905 [0,1,0,1,0,0|0,0,1]=3 2445 B6R1.3 C1C(O1)CCBr D302399 [0,1,0,1,0,0|0,0,0]=2 2446 B6R1.3 C1CC1CC#N C339744 [0,1,0,1,0,0|1,0,1]=4 2447 B6R1.3 C1CC1CCI I176162 [0,1,0,1,0,0|1,0,0]=3 2448 B6R1.3 C1CC1CON O194839 [0,1,0,1,0,0|2,0,0]=4 2449 B6R1.3 C1CN1CCO H157166 [0,1,0,1,0,0|2,0,0]=4 2450 B6R1.3 CCCC1CO1 E156390 [0,1,0,1,0,0|0,0,0]=2 2451 B6R1.3 COCC1CO1 G156840 [0,1,0,1,0,0|0,0,0]=2 2452 B6R1.3 COCC1CO1 R160880 [0,1,0,1,0,0|0,0,0]=2 2453 B6R1.3 COCC1CO1 S139136 [0,1,0,1,0,0|0,0,0]=2 2454 B6R1.5 C1C(CC1O)N C172673 [0,1,0,1,0,0|0,0,0]=2 2455 B6R1.5 C1C(CC1O)N T172530 [0,1,0,1,0,0|0,0,0]=2 2456 B6R1.5 CC1CC(=O)O1 B152852 [0,1,0,1,0,0|0,0,1]=3 2457 B6R1.5 CN1CC(C1)O H586376 [0,1,0,1,0,0|0,0,0]=2 2458 B6R1.5 CN1CC(C1)O M175942 [0,1,0,1,0,0|0,0,0]=2 2459 B6R1.9 C1C(C1(F)F)N D586260 [0,1,0,1,0,0|2,0,0]=4 2460 B6R1.10 C1C(CN1)(F)F D177157 [0,1,0,1,0,0|2,0,0]=4 2461 B6R1.10 C1C(CN1)(F)F D183446 [0,1,0,1,0,0|2,0,0]=4 2462 B6R1.10 C1C[Si](C1)(Cl)Cl D192215 [0,1,0,1,0,0|1,1,0]=4 2463 B6R1.10 CC1(CCC1)N M174981 [0,1,0,1,0,0|1,0,0]=3 2464 B6R1.10 CC1(CCC1)O M491477 [0,1,0,1,0,0|0,0,0]=2 2465 B6R1.10 CC1(COC1)N M136750 [0,1,0,1,0,0|1,0,0]=3 2466 B6R1.10 CC1(COC1)O M174660 [0,1,0,1,0,0|0,0,0]=2 2467 B6R1.10 C[Si]1(CCC1)C D168803 [0,1,0,1,0,0|1,1,0]=4 2468 B6R1.10 C[Si]1(CCC1)Cl C168869 [0,1,0,1,0,0|1,1,0]=4 2469 B6R1.11 B(C1CC1)(O)O C120273 [0,1,0,1,0,0|2,0,0]=4 2470 B6R1.11 C1CC1C(=O)O C106979 [0,1,0,1,0,0|1,0,1]=4 2471 B6R1.11 CC(=O)C1CC1 C108050 [0,1,0,1,0,0|0,0,2]=4 2472 B6R1.11 CC(C1CC1)N B300122 [0,1,0,1,0,0|1,0,0]=3 2473 B6R1.11 CC(C1CC1)N R587936 [0,1,0,1,0,0|1,0,0]=3 2474 B6R1.11 CC(C1CC1)N S175013 [0,1,0,1,0,0|1,0,0]=3 2475 B6R1.11 CC(C1CC1)O C153900 [0,1,0,1,0,0|0,0,0]=2 2476 B6R1.6 C1C(CN1)C#N A176201 [0,1,0,1,0,0|2,0,0]=4 2477 B6R1.6 C1C(CN1)CO A124078 [0,1,0,1,0,0|1,0,0]=3 2478 B6R1.6 C1C(CO1)C=O O173275 [0,1,0,1,0,0|1,0,1]=4 2479 B6R1.6 C1C(CO1)CN A171234 [0,1,0,1,0,0|1,0,0]=3 2480 B6R1.6 C1C(CO1)CO O176971 [0,1,0,1,0,0|1,0,0]=3 2481 B6R1.6 C1CC(C1)C#N C479085 [0,1,0,1,0,0|1,0,0]=3 2482 B6R1.6 C1CC(C1)CBr B119331 [0,1,0,1,0,0|1,0,0]=3 2483 B6R1.6 C1CC(C1)CN C176494 [0,1,0,1,0,0|1,0,0]=3 2484 B6R1.6 C1CC(C1)CN C176749 [0,1,0,1,0,0|1,0,0]=3 2485 B6R1.6 C1CC(C1)CO C120878 [0,1,0,1,0,0|0,0,0]=2 2486 B6R1.6 C1COC1CN S588071 [0,1,0,1,0,0|0,0,0]=2 2487 B6R1.6 C1COC1CO H157030 [0,1,0,1,0,0|0,0,0]=2 2488 B6R1.6 CNC1COC1 N178478 [0,1,0,1,0,0|1,0,0]=3 2489 B6R1.6 COC1CNC1 M123270 [0,1,0,1,0,0|1,0,0]=3 2490 B6R1.7 C1CC1(C#N)N A103045 [0,1,0,1,0,0|1,0,1]=4 2491 B6R1.7 C1CC1(CO)N A166142 [0,1,0,1,0,0|1,0,0]=3 2492 B6R1.7 CC1(CC1)CO M473138 [0,1,0,1,0,0|0,0,0]=2 2493 B6R1.7 CC1(CO1)C=C M115674 [0,1,0,1,0,0|0,0,2]=4 2494 B6R1.7 CC1(CO1)CCl C136952 [0,1,0,1,0,0|1,0,0]=3