0 B5R0.3 C(C(=O)CBr)Br D139292 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C(C(C=O)O)O D134978 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.3 C(C(C=O)O)O D589509 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.3 C(C(C=O)O)O S138916 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.3 C(C(CBr)Br)Br T109520 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 C(C(CBr)Br)Cl D469912 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C(C(CBr)Br)N D487237 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 C(C(CBr)Br)O D154495 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.3 C(C(CBr)O)Br D100260 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 C(C(CBr)O)O B133715 [0,0,0,0,0,0|2,1,0]=3 10 B5R0.3 C(C(CCl)Cl)Cl T128156 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.3 C(C(CCl)Cl)O D154496 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.3 C(C(CCl)O)Cl D110862 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 C(C(CCl)O)Cl D110863 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 C(C(CCl)O)Cl D357372 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 C(C(CCl)O)N S192900 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 C(C(CCl)O)O C106058 [0,0,0,0,0,0|2,1,0]=3 17 B5R0.3 C(C(CCl)O)O C106059 [0,0,0,0,0,0|2,1,0]=3 18 B5R0.3 C(C(CCl)O)O C356973 [0,0,0,0,0,0|2,1,0]=3 19 B5R0.3 C(C(CF)O)F D170430 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.3 C(C(CN)O)N D121823 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 C(C(CO)N)O A100952 [0,0,0,0,0,0|2,1,0]=3 22 B5R0.3 C(C(CO)N)O A101351 [0,0,0,0,0,0|2,1,0]=3 23 B5R0.3 C(C(CO)O)N A101946 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.3 C(C(CO)O)N A103187 [0,0,0,0,0,0|2,1,0]=3 25 B5R0.3 C(C(CO)O)N A107504 [0,0,0,0,0,0|2,1,0]=3 26 B5R0.3 C(C(CO)O)O G116202 [0,0,0,0,0,0|2,1,0]=3 27 B5R0.3 C(C(CO)O)O G116203 [0,0,0,0,0,0|2,1,0]=3 28 B5R0.3 C(C(CO)O)O G116205 [0,0,0,0,0,0|2,1,0]=3 29 B5R0.3 C(C(CO)O)O G116206 [0,0,0,0,0,0|2,1,0]=3 30 B5R0.3 C(C(CO)O)O G116208 [0,0,0,0,0,0|2,1,0]=3 31 B5R0.3 C(C(CO)O)O G116209 [0,0,0,0,0,0|2,1,0]=3 32 B5R0.3 C(C(CO)O)O G116213 [0,0,0,0,0,0|2,1,0]=3 33 B5R0.3 C(C(CO)O)O G116214 [0,0,0,0,0,0|2,1,0]=3 34 B5R0.3 C(C(CO)O)O G116215 [0,0,0,0,0,0|2,1,0]=3 35 B5R0.3 C(C(CO)O)O G117555 [0,0,0,0,0,0|2,1,0]=3 36 B5R0.3 C(C(CO)O)O G117556 [0,0,0,0,0,0|2,1,0]=3 37 B5R0.3 C(C(CO)O)O G294877 [0,0,0,0,0,0|2,1,0]=3 38 B5R0.3 C(C(CO)O)O G334451 [0,0,0,0,0,0|2,1,0]=3 39 B5R0.3 C(C(CO)O)O G424796 [0,0,0,0,0,0|2,1,0]=3 40 B5R0.3 C(C(CO)O)O G472031 [0,0,0,0,0,0|2,1,0]=3 41 B5R0.3 C(C(CO)O)O G474157 [0,0,0,0,0,0|2,1,0]=3 42 B5R0.3 C(C(CS)O)O T109440 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 C(C(CS)O)O T109441 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 C(C(CS)O)O T109442 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.3 C(C(CS)O)O T141418 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 C(C(CS)S)O D106477 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.3 C(C(CS)S)O D424962 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.3 C=C(CCl)CCl C124660 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.3 C=C(CO)CO M158762 [0,0,0,0,0,0|1,1,2]=4 50 B5R0.3 C=CC(CCl)Cl D155424 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 C=CC(CO)O B589259 [0,0,0,0,0,0|1,1,2]=4 52 B5R0.3 CC(C=C)C#N M158306 [0,0,0,0,0,0|1,0,3]=4 53 B5R0.3 CC(CN)CO A483603 [0,0,0,0,0,0|1,1,0]=2 54 B5R0.3 CC(CO)CBr R469876 [0,0,0,0,0,0|1,1,0]=2 55 B5R0.3 CC(CO)CBr S469920 [0,0,0,0,0,0|1,1,0]=2 56 B5R0.3 CC(CO)CO M141411 [0,0,0,0,0,0|1,1,0]=2 57 B5R0.3 CC(CO)OC R194193 [0,0,0,0,0,0|1,1,0]=2 58 B5R0.3 CC(OC)OC D155919 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 CC=C(C)C#N M158305 [0,0,0,0,0,0|1,0,3]=4 60 B5R0.3 CC=C(C)C=O T161495 [0,0,0,0,0,0|0,1,3]=4 61 B5R0.3 CCC(=C)C=O E189230 [0,0,0,0,0,0|0,1,3]=4 62 B5R0.3 CCC(=C)CC E156179 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.3 CCC(=CC)C T162381 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.3 CCC(=NO)C B105233 [0,0,0,0,0,0|1,1,1]=3 65 B5R0.3 CCC(=NO)N P138620 [0,0,0,0,0,0|2,1,1]=4 66 B5R0.3 CCC(=O)CC P103791 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.3 CCC(=O)CC P103792 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.3 CCC(=O)CC P103794 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.3 CCC(=O)CO H193640 [0,0,0,0,0,0|1,1,1]=3 70 B5R0.3 CCC(=O)NC N159394 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.3 CCC(=O)NN P342062 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.3 CCC(=O)OC M110420 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.3 CCC(=O)OC M110421 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.3 CCC(=O)OC M110422 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.3 CCC(=O)OC M491732 [0,0,0,0,0,0|3,0,1]=4 76 B5R0.3 CCC(=O)SC S404755 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.3 CCC(C#C)O P138822 [0,0,0,0,0,0|2,0,1]=3 78 B5R0.3 CCC(C)C#N M158304 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.3 CCC(C)C=C M158226 [0,0,0,0,0,0|1,0,1]=2 80 B5R0.3 CCC(C)C=O M158687 [0,0,0,0,0,0|0,1,1]=2 81 B5R0.3 CCC(C)CBr B120302 [0,0,0,0,0,0|1,0,0]=1 82 B5R0.3 CCC(C)CBr B188983 [0,0,0,0,0,0|1,0,0]=1 83 B5R0.3 CCC(C)CC M109051 [0,0,0,0,0,0|1,0,0]=1 84 B5R0.3 CCC(C)CC M109052 [0,0,0,0,0,0|1,0,0]=1 85 B5R0.3 CCC(C)CCl C153548 [0,0,0,0,0,0|1,0,0]=1 86 B5R0.3 CCC(C)CCl S160982 [0,0,0,0,0,0|1,0,0]=1 87 B5R0.3 CCC(C)CI I157547 [0,0,0,0,0,0|1,0,0]=1 88 B5R0.3 CCC(C)CN S467250 [0,0,0,0,0,0|1,0,0]=1 89 B5R0.3 CCC(C)CO M106456 [0,0,0,0,0,0|0,1,0]=1 90 B5R0.3 CCC(C)CO M106654 [0,0,0,0,0,0|0,1,0]=1 91 B5R0.3 CCC(C)CS M103069 [0,0,0,0,0,0|0,0,0]=0 92 B5R0.3 CCC(C)OC S161061 [0,0,0,0,0,0|2,0,0]=2 93 B5R0.3 CCC(C=C)O P160532 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.3 CCC(CBr)Br D102336 [0,0,0,0,0,0|2,0,0]=2 95 B5R0.3 CCC(CBr)O B152045 [0,0,0,0,0,0|2,0,0]=2 96 B5R0.3 CCC(CC)Br B106965 [0,0,0,0,0,0|2,0,0]=2 97 B5R0.3 CCC(CC)N A133949 [0,0,0,0,0,0|2,0,0]=2 98 B5R0.3 CCC(CC)O P109359 [0,0,0,0,0,0|2,0,0]=2 99 B5R0.3 CCC(CCl)Cl D155318 [0,0,0,0,0,0|2,0,0]=2 100 B5R0.3 CCC(CN)O A151121 [0,0,0,0,0,0|2,0,0]=2 101 B5R0.3 CCC(CO)N A106025 [0,0,0,0,0,0|1,1,0]=2 102 B5R0.3 CCC(CO)N A107264 [0,0,0,0,0,0|1,1,0]=2 103 B5R0.3 CCC(CO)N A107265 [0,0,0,0,0,0|1,1,0]=2 104 B5R0.3 CCC(CO)O B153217 [0,0,0,0,0,0|1,1,0]=2 105 B5R0.3 CCC(CO)O B300651 [0,0,0,0,0,0|1,1,0]=2 106 B5R0.3 CCC(CO)O R160952 [0,0,0,0,0,0|1,1,0]=2 107 B5R0.3 CCC(CO)O S161003 [0,0,0,0,0,0|1,1,0]=2 108 B5R0.3 CCC(CS)S B152748 [0,0,0,0,0,0|1,0,0]=1 109 B5R0.3 CCN(C)CC N159249 [0,0,0,0,0,0|2,0,0]=2 110 B5R0.3 CCN(C)N=O N114391 [0,0,0,0,0,0|2,1,0]=3 111 B5R0.3 CCN(CC)O D109383 [0,0,0,0,0,0|3,0,0]=3 112 B5R0.3 CCN(CC)O N432573 [0,0,0,0,0,0|3,0,0]=3 113 B5R0.3 CCS(=O)CC E589941 [0,0,0,0,0,0|3,0,0]=3 114 B5R0.3 CC[P+](=O)CC D332476 [0,0,0,0,0,0|3,0,0]=3 115 B5R0.3 CC[Si](C)CC D337339 [0,0,0,0,0,0|1,1,0]=2 116 B5R0.3 CN(C=O)OC N588715 [0,0,0,0,0,0|2,1,1]=4 117 B5R0.3 CNC(=O)CBr B588815 [0,0,0,0,0,0|3,0,1]=4 118 B5R0.3 CNC(=O)CCl C124467 [0,0,0,0,0,0|3,0,1]=4 119 B5R0.3 CNC(=O)CN A182951 [0,0,0,0,0,0|3,0,1]=4 120 B5R0.3 CNC(=O)CS M124593 [0,0,0,0,0,0|2,0,1]=3 121 B5R0.3 COC(=O)CBr M106900 [0,0,0,0,0,0|3,0,1]=4 122 B5R0.3 COC(=O)CCl M104120 [0,0,0,0,0,0|3,0,1]=4 123 B5R0.3 COC(=O)CCl M104121 [0,0,0,0,0,0|3,0,1]=4 124 B5R0.3 COC(=O)CCl M305846 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.3 COC(=O)CN G105475 [0,0,0,0,0,0|3,0,1]=4 126 B5R0.3 COC(=O)CO M101718 [0,0,0,0,0,0|2,1,1]=4 127 B5R0.3 COC(=O)CS M103140 [0,0,0,0,0,0|2,0,1]=3 128 B4R0.1 B(=S(C)C)Cl C300429 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.1 B(CC)(O)O E120272 [1,0,0,0,0,0|2,1,0]=4 130 B4R0.1 C(C(=O)O)S T104998 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.1 C(C(=O)O)S T105002 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.1 C(C(=O)O)S T501446 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 C(C(=O)[O-])S A109096 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 C(C(=O)[O-])S C154034 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.1 C(C(=O)[O-])S S105664 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 C(C(Br)Br)Br T162280 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 C(C(Cl)Cl)Cl T110587 [1,0,0,0,0,0|3,0,0]=4 138 B4R0.1 C(C(Cl)Cl)Cl T110588 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.1 C(C(Cl)Cl)Cl T110590 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 C(C(Cl)Cl)Cl T110591 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.1 C(C(Cl)Cl)O D472528 [1,0,0,0,0,0|2,1,0]=4 142 B4R0.1 C(C(F)F)I I185481 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.1 C(C(F)F)N D155259 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.1 C(C(F)F)O D102785 [1,0,0,0,0,0|2,1,0]=4 145 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|1,0,2]=4 148 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|0,1,2]=4 149 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|1,0,2]=4 151 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|1,1,1]=4 152 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|1,1,1]=4 153 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|1,1,1]=4 154 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|1,1,1]=4 155 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|1,1,1]=4 156 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|1,1,1]=4 157 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|1,1,1]=4 158 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|1,1,1]=4 159 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|1,1,1]=4 160 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|1,1,1]=4 161 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|1,1,1]=4 162 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|1,1,1]=4 163 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|1,1,1]=4 164 B4R0.1 CC(C#C)Br B476941 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.1 CC(C#C)N B589081 [1,0,0,0,0,0|1,0,2]=4 166 B4R0.1 CC(C#C)O B106248 [1,0,0,0,0,0|0,1,2]=4 167 B4R0.1 CC(C#C)O B301756 [1,0,0,0,0,0|0,1,2]=4 168 B4R0.1 CC(C#C)O R160842 [1,0,0,0,0,0|0,1,2]=4 169 B4R0.1 CC(C#C)O S161362 [1,0,0,0,0,0|0,1,2]=4 170 B4R0.1 CC(C#N)Br B168276 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 CC(C#N)Cl C122640 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 CC(C#N)N A186242 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|0,1,1]=3 175 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|0,1,1]=3 176 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|0,1,1]=3 177 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|1,0,0]=2 178 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|1,0,0]=2 179 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|1,0,0]=2 180 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|1,0,0]=2 182 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|1,0,0]=2 184 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|1,0,0]=2 185 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|0,1,0]=2 187 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|0,1,0]=2 188 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|0,1,0]=2 189 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|0,1,0]=2 190 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|0,1,0]=2 191 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|0,1,0]=2 192 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|0,1,0]=2 193 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|0,1,0]=2 194 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|0,0,0]=1 195 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|1,1,0]=3 198 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|0,1,2]=4 201 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|1,1,0]=3 203 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,0]=3 205 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|1,1,0]=3 208 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|1,1,0]=3 209 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|1,1,0]=3 210 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|1,1,0]=3 214 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|1,1,0]=3 215 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|1,1,0]=3 216 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|1,1,0]=3 217 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|1,1,0]=3 218 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|1,1,0]=3 219 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|1,1,0]=3 220 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,1,0]=3 221 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,1,0]=3 222 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,1,0]=3 223 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,1,0]=3 224 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|1,1,0]=3 225 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|1,1,0]=3 226 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|1,1,0]=3 227 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|1,1,0]=3 228 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|1,1,0]=3 229 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|1,1,0]=3 230 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|1,1,0]=3 231 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|1,0,2]=4 233 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|1,0,2]=4 234 B4R0.1 CCC(=N)N P588869 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.1 CCC(=O)Br P107847 [1,0,0,0,0,0|1,1,1]=4 236 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|0,1,1]=3 237 B4R0.1 CCC(=O)Cl P108665 [1,0,0,0,0,0|1,1,1]=4 238 B4R0.1 CCC(=O)N P104016 [1,0,0,0,0,0|1,1,1]=4 239 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|1,1,1]=4 240 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|1,1,1]=4 241 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|1,1,1]=4 242 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|1,1,1]=4 243 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|1,1,1]=4 244 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|1,1,1]=4 245 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|1,1,1]=4 246 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|1,1,1]=4 247 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|1,1,1]=4 248 B4R0.1 CCC(=O)[O-] C112470 [1,0,0,0,0,0|1,1,1]=4 249 B4R0.1 CCC(=O)[O-] C112471 [1,0,0,0,0,0|1,1,1]=4 250 B4R0.1 CCC(=O)[O-] C492256 [1,0,0,0,0,0|1,1,1]=4 251 B4R0.1 CCC(=O)[O-] P160177 [1,0,0,0,0,0|1,1,1]=4 252 B4R0.1 CCC(=O)[O-] S100120 [1,0,0,0,0,0|1,1,1]=4 253 B4R0.1 CCC(=O)[O-] S100121 [1,0,0,0,0,0|1,1,1]=4 254 B4R0.1 CCC(=O)[O-] S100122 [1,0,0,0,0,0|1,1,1]=4 255 B4R0.1 CCC(=O)[O-] S346177 [1,0,0,0,0,0|1,1,1]=4 256 B4R0.1 CCC(=O)[O-] Z346699 [1,0,0,0,0,0|1,1,1]=4 257 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|1,0,0]=2 258 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|1,0,0]=2 259 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|1,0,0]=2 260 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|1,0,0]=2 261 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|1,0,0]=2 262 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|1,0,0]=2 263 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|1,0,0]=2 264 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|1,0,0]=2 265 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|0,1,0]=2 266 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|0,1,0]=2 267 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|0,1,0]=2 268 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|0,1,0]=2 269 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|0,1,0]=2 270 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|0,1,0]=2 271 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|0,0,0]=1 272 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|2,0,0]=3 273 B4R0.1 CCS(=O)[O-] S182544 [1,0,0,0,0,0|2,1,0]=4 274 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|0,1,0]=2 275 B4R0.1 CN(C)C#N D154667 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|1,1,1]=4 277 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|1,1,1]=4 278 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|1,1,1]=4 279 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|1,1,1]=4 280 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|1,1,1]=4 281 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|1,1,1]=4 282 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|1,1,1]=4 283 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|1,1,1]=4 284 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|1,1,1]=4 285 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|1,1,1]=4 286 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|1,1,1]=4 287 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|1,1,1]=4 288 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|1,1,1]=4 289 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|1,0,2]=4 290 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|2,1,0]=4 292 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|2,1,0]=4 293 B4R0.1 CN=[N+](C)[O-] A169090 [1,0,0,0,0,0|2,1,0]=4 294 B4R0.1 COC(Cl)Cl D109451 [1,0,0,0,0,0|3,0,0]=4 295 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|2,0,1]=4 296 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|1,1,0]=3 297 B4R0.2 C#CCCBr B151807 [1,0,0,0,0,0|1,0,2]=4 298 B4R0.2 C#CCCN B195517 [1,0,0,0,0,0|1,0,2]=4 299 B4R0.2 C#CCCO B106249 [1,0,0,0,0,0|0,1,2]=4 300 B4R0.2 C(CBr)C#N B106916 [1,0,0,0,0,0|2,0,1]=4 301 B4R0.2 C(CBr)CBr D104777 [1,0,0,0,0,0|2,0,0]=3 302 B4R0.2 C(CBr)CBr D104778 [1,0,0,0,0,0|2,0,0]=3 303 B4R0.2 C(CCl)C#N C141146 [1,0,0,0,0,0|2,0,1]=4 304 B4R0.2 C(CCl)C#N C298757 [1,0,0,0,0,0|2,0,1]=4 305 B4R0.2 C(CCl)CBr B105780 [1,0,0,0,0,0|2,0,0]=3 306 B4R0.2 C(CCl)CCl D109184 [1,0,0,0,0,0|2,0,0]=3 307 B4R0.2 C(CCl)CCl D109185 [1,0,0,0,0,0|2,0,0]=3 308 B4R0.2 C(CCl)CCl D113099 [1,0,0,0,0,0|2,0,0]=3 309 B4R0.2 C(CCl)CCl D128142 [1,0,0,0,0,0|2,0,0]=3 310 B4R0.2 C(CCl)CCl D140761 [1,0,0,0,0,0|2,0,0]=3 311 B4R0.2 C(CCl)CI C153543 [1,0,0,0,0,0|2,0,0]=3 312 B4R0.2 C(CF)CBr B303518 [1,0,0,0,0,0|2,0,0]=3 313 B4R0.2 C(CF)CI I184641 [1,0,0,0,0,0|2,0,0]=3 314 B4R0.2 C(CI)CI D139104 [1,0,0,0,0,0|2,0,0]=3 315 B4R0.2 C(CN)C#N A107499 [1,0,0,0,0,0|2,0,1]=4 316 B4R0.2 C(CN)CBr B106915 [1,0,0,0,0,0|2,0,0]=3 317 B4R0.2 C(CN)CCl C102474 [1,0,0,0,0,0|2,0,0]=3 318 B4R0.2 C(CN)CN B151838 [1,0,0,0,0,0|2,0,0]=3 319 B4R0.2 C(CN)CN D154662 [1,0,0,0,0,0|2,0,0]=3 320 B4R0.2 C(CN)CN D155613 [1,0,0,0,0,0|2,0,0]=3 321 B4R0.2 C(CN)CN D155681 [1,0,0,0,0,0|2,0,0]=3 322 B4R0.2 C(CN)CN P103898 [1,0,0,0,0,0|2,0,0]=3 323 B4R0.2 C(CN)CN P492915 [1,0,0,0,0,0|2,0,0]=3 324 B4R0.2 C(CN)CN P494086 [1,0,0,0,0,0|2,0,0]=3 325 B4R0.2 C(CN)CO A106068 [1,0,0,0,0,0|1,1,0]=3 326 B4R0.2 C(CN)CO A106069 [1,0,0,0,0,0|1,1,0]=3 327 B4R0.2 C(CN)CO A151629 [1,0,0,0,0,0|1,1,0]=3 328 B4R0.2 C(CN)CO A299064 [1,0,0,0,0,0|1,1,0]=3 329 B4R0.2 C(CN)CS A476835 [1,0,0,0,0,0|1,0,0]=2 330 B4R0.2 C(CO)C#N H109415 [1,0,0,0,0,0|1,1,1]=4 331 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|1,1,1]=4 332 B4R0.2 C(CO)CBr B108055 [1,0,0,0,0,0|1,1,0]=3 333 B4R0.2 C(CO)CBr B140136 [1,0,0,0,0,0|1,1,0]=3 334 B4R0.2 C(CO)CCl C109471 [1,0,0,0,0,0|1,1,0]=3 335 B4R0.2 C(CO)CF F404475 [1,0,0,0,0,0|1,1,0]=3 336 B4R0.2 C(CO)CI I139105 [1,0,0,0,0,0|1,1,0]=3 337 B4R0.2 C(CO)CO P108206 [1,0,0,0,0,0|1,1,0]=3 338 B4R0.2 C(CO)CO P108207 [1,0,0,0,0,0|1,1,0]=3 339 B4R0.2 C(CO)CO P108208 [1,0,0,0,0,0|1,1,0]=3 340 B4R0.2 C(CO)CO P432773 [1,0,0,0,0,0|1,1,0]=3 341 B4R0.2 C(CO)CS M158215 [1,0,0,0,0,0|1,0,0]=2 342 B4R0.2 C(CO)NN H113414 [1,0,0,0,0,0|2,1,0]=4 343 B4R0.2 C(CON)N A193083 [1,0,0,0,0,0|3,0,0]=4 344 B4R0.2 C(CS)C#N M302020 [1,0,0,0,0,0|1,0,1]=3 345 B4R0.2 C(CS)CS P100845 [1,0,0,0,0,0|1,0,0]=2 346 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|1,0,2]=4 347 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|1,0,2]=4 348 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|1,0,2]=4 349 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|0,1,2]=4 350 B4R0.2 CC#CCO B111064 [1,0,0,0,0,0|0,1,2]=4 351 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|1,0,2]=4 352 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|1,0,2]=4 353 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|0,1,2]=4 354 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|1,0,2]=4 355 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|1,0,2]=4 356 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|0,1,1]=3 357 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|0,1,1]=3 358 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|0,1,1]=3 359 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|1,0,0]=2 360 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|1,0,0]=2 361 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|1,0,0]=2 362 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|1,0,0]=2 363 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|1,0,0]=2 364 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|1,0,0]=2 365 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|1,0,0]=2 366 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|1,0,0]=2 367 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|1,0,0]=2 368 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|1,0,0]=2 369 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|1,0,0]=2 370 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|1,0,0]=2 371 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|1,0,0]=2 372 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|1,0,0]=2 373 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|1,0,0]=2 374 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|1,0,0]=2 375 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|1,0,0]=2 376 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|1,0,0]=2 377 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|1,0,0]=2 378 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|1,0,0]=2 379 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|1,0,0]=2 380 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|1,0,0]=2 381 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|0,1,0]=2 382 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|0,1,0]=2 383 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|0,1,0]=2 384 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|0,1,0]=2 385 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|0,1,0]=2 386 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|0,1,0]=2 387 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|0,1,0]=2 388 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|0,1,0]=2 389 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|0,1,0]=2 390 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|0,1,0]=2 391 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|0,1,0]=2 392 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|0,1,0]=2 393 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|0,1,0]=2 394 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|0,1,0]=2 395 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|0,0,0]=1 396 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|0,0,0]=1 397 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|1,0,0]=2 398 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|1,0,0]=2 399 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|0,1,0]=2 400 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|0,1,0]=2 401 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|0,1,0]=2 402 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|0,1,0]=2 403 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|0,1,0]=2 404 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|0,1,0]=2 405 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|2,0,0]=3 407 B4R0.2 CCN=C=S E140613 [1,0,0,0,0,0|1,0,2]=4 408 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|1,1,1]=4 409 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|2,0,0]=3 410 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|2,0,0]=3 411 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|2,0,0]=3 412 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|2,0,0]=3 413 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|2,0,0]=3 414 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|2,0,0]=3 415 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|2,0,0]=3 416 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|2,0,0]=3 417 B4R0.2 CCOC#C E113364 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.2 CCOC#C E579852 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|1,1,1]=4 421 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|1,1,1]=4 422 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|1,1,1]=4 423 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|1,1,1]=4 424 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|1,1,1]=4 425 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|2,0,0]=3 426 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|2,0,0]=3 427 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|2,0,0]=3 428 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|2,0,0]=3 429 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|2,0,0]=3 430 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|2,0,0]=3 431 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|2,0,0]=3 432 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|2,0,0]=3 433 B4R0.2 CCSC#N E156402 [1,0,0,0,0,0|2,0,1]=4 434 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|2,0,1]=4 435 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|2,0,0]=3 436 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|2,0,0]=3 437 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|2,0,0]=3 438 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|1,1,0]=3 439 B4R0.2 CNCC#C N467806 [1,0,0,0,0,0|2,0,1]=4 440 B4R0.2 CNCC#N M102241 [1,0,0,0,0,0|2,0,1]=4 441 B4R0.2 CNCC#N M158300 [1,0,0,0,0,0|2,0,1]=4 442 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|2,0,1]=4 443 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|2,0,0]=3 444 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|2,0,0]=3 445 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|2,0,0]=3 446 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|1,1,0]=3 447 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|1,1,0]=3 448 B4R0.2 COCC#C M157951 [1,0,0,0,0,0|2,0,1]=4 449 B4R0.2 COCC#N M158576 [1,0,0,0,0,0|2,0,1]=4 450 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|2,0,1]=4 451 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|2,0,0]=3 452 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|2,0,0]=3 453 B4R0.2 COCCN M138018 [1,0,0,0,0,0|2,0,0]=3 454 B4R0.2 COCCN M404735 [1,0,0,0,0,0|2,0,0]=3 455 B4R0.2 COCCN M493557 [1,0,0,0,0,0|2,0,0]=3 456 B4R0.2 COCCO M102852 [1,0,0,0,0,0|1,1,0]=3 457 B4R0.2 COCCO M102853 [1,0,0,0,0,0|1,1,0]=3 458 B4R0.2 COCCO M102854 [1,0,0,0,0,0|1,1,0]=3 459 B4R0.2 COCCO M102855 [1,0,0,0,0,0|1,1,0]=3 460 B4R0.2 COCCO M102856 [1,0,0,0,0,0|1,1,0]=3 461 B4R0.2 COCCO M102857 [1,0,0,0,0,0|1,1,0]=3 462 B4R0.2 COCCO M102858 [1,0,0,0,0,0|1,1,0]=3 463 B4R0.2 COCCO M119725 [1,0,0,0,0,0|1,1,0]=3 464 B4R0.2 COCOC D101433 [1,0,0,0,0,0|3,0,0]=4 465 B4R0.2 COCOC D101436 [1,0,0,0,0,0|3,0,0]=4 466 B4R0.2 COCOC F431409 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.2 CSCC#N M158307 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|2,0,1]=4 469 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|2,0,0]=3 470 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|2,0,0]=3 471 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|2,0,0]=3 472 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|1,1,0]=3 473 B4R0.2 CSCSC B140648 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.1 C(C#N)C(CCl)O C123021 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.1 C(C#N)C(CCl)O S190446 [0,1,0,0,0,0|2,0,1]=4 476 B6R0.1 C(CO)C(CO)O B105549 [0,1,0,0,0,0|1,1,0]=3 477 B6R0.1 C(CO)C(CO)O B118474 [0,1,0,0,0,0|1,1,0]=3 478 B6R0.1 C(CO)C(CO)O R472595 [0,1,0,0,0,0|1,1,0]=3 479 B6R0.1 C(CO)C(CO)O S102777 [0,1,0,0,0,0|1,1,0]=3 480 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|1,1,0]=3 481 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|1,1,0]=3 482 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|1,1,0]=3 483 B6R0.1 CCC(=O)OCC E103457 [0,1,0,0,0,0|2,0,1]=4 484 B6R0.1 CCC(=O)OCC E103458 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.1 CCC(=O)OCC E103459 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.1 CCC(=O)OCC E103460 [0,1,0,0,0,0|2,0,1]=4 487 B6R0.1 CCC(=O)OCC E278958 [0,1,0,0,0,0|2,0,1]=4 488 B6R0.1 CCC(=O)SCC S133123 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.1 CCC(C)N=C=S B140604 [0,1,0,0,0,0|0,0,2]=3 490 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|1,0,0]=2 491 B6R0.1 CCC(CC#C)O H157361 [0,1,0,0,0,0|2,0,0]=3 492 B6R0.1 CCC(CCN)N D155073 [0,1,0,0,0,0|2,0,0]=3 493 B6R0.1 CCC(COC)N A151357 [0,1,0,0,0,0|1,1,0]=3 494 B6R0.1 CCC(COC)O M158749 [0,1,0,0,0,0|1,1,0]=3 495 B6R0.1 CCC=C(C)C=O M102187 [0,1,0,0,0,0|0,1,2]=4 496 B6R0.1 CCCC(=O)CC H106710 [0,1,0,0,0,0|2,0,1]=4 497 B6R0.1 CCCC(C#C)O H101580 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.1 CCCC(C)C=O M158691 [0,1,0,0,0,0|0,1,1]=3 499 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|1,0,0]=2 500 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|0,1,0]=2 501 B6R0.1 CCCC(C=C)O H157268 [0,1,0,0,0,0|2,0,1]=4 502 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|2,0,0]=3 503 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|2,0,0]=3 504 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|2,0,0]=3 505 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|1,1,0]=3 506 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|1,1,0]=3 507 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|1,1,0]=3 508 B6R0.1 CCOC(=NO)C E124202 [0,1,0,0,0,0|1,1,1]=4 509 B6R0.1 CCOC(=O)CBr E106090 [0,1,0,0,0,0|2,0,1]=4 510 B6R0.1 CCOC(=O)CCl E105166 [0,1,0,0,0,0|2,0,1]=4 511 B6R0.1 CCOC(=O)CCl E105167 [0,1,0,0,0,0|2,0,1]=4 512 B6R0.1 CCOC(=O)CF E107563 [0,1,0,0,0,0|2,0,1]=4 513 B6R0.1 CCOC(=O)CN G105477 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.1 CCOC(=O)CO E101730 [0,1,0,0,0,0|1,1,1]=4 515 B6R0.1 CCOC(=O)CS E109439 [0,1,0,0,0,0|1,0,1]=3 516 B6R0.1 CNCC(CO)O M157918 [0,1,0,0,0,0|1,1,0]=3 517 B6R0.1 COC(=O)CCS M107600 [0,1,0,0,0,0|2,0,1]=4 518 B6R0.1 COC(=O)CSC M120419 [0,1,0,0,0,0|2,0,1]=4 519 B6R0.1 COCC(CCl)O C153895 [0,1,0,0,0,0|2,0,0]=3 520 B6R0.1 COCC(CN)O A479789 [0,1,0,0,0,0|2,0,0]=3 521 B6R0.1 COCC(CO)O M135227 [0,1,0,0,0,0|1,1,0]=3 522 B6R0.3 B(C(C)CC)(O)O B120306 [0,1,0,0,0,0|1,1,0]=3 523 B6R0.3 C(C(C(=O)O)N)S C108237 [0,1,0,0,0,0|2,0,1]=4 524 B6R0.3 C(C(C(=O)O)N)S C108238 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.3 C(C(C(=O)O)N)S C110184 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.3 C(C(C(=O)O)N)S C110436 [0,1,0,0,0,0|2,0,1]=4 527 B6R0.3 C(C(C(=O)O)N)S C110437 [0,1,0,0,0,0|2,0,1]=4 528 B6R0.3 C(C(C(=O)O)N)S C113143 [0,1,0,0,0,0|2,0,1]=4 529 B6R0.3 C(C(C(=O)O)N)S C118575 [0,1,0,0,0,0|2,0,1]=4 530 B6R0.3 C(C(C(=O)O)N)S D304972 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.3 C(C(C(=O)O)N)S L424532 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.3 C(C(C(=O)O)N)S L424534 [0,1,0,0,0,0|2,0,1]=4 533 B6R0.3 C(C(C(=O)O)N)S L432833 [0,1,0,0,0,0|2,0,1]=4 534 B6R0.3 C(C(C(=O)O)N)S S161428 [0,1,0,0,0,0|2,0,1]=4 535 B6R0.3 C(C(C(=O)O)N)S S588042 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.3 CC(C(=O)O)NC I133832 [0,1,0,0,0,0|1,1,1]=4 537 B6R0.3 CC(C(=O)O)NC I135858 [0,1,0,0,0,0|1,1,1]=4 538 B6R0.3 CC(C(=O)O)NC N303350 [0,1,0,0,0,0|1,1,1]=4 539 B6R0.3 CC(C(=O)O)OC M193402 [0,1,0,0,0,0|1,1,1]=4 540 B6R0.3 CC(C(=O)O)OC P477810 [0,1,0,0,0,0|1,1,1]=4 541 B6R0.3 CC(C(CO)N)O S134976 [0,1,0,0,0,0|1,1,0]=3 542 B6R0.3 CC(C(CO)N)O T117147 [0,1,0,0,0,0|1,1,0]=3 543 B6R0.3 CC(C(CO)O)O B152043 [0,1,0,0,0,0|1,1,0]=3 544 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|1,1,0]=3 545 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|1,1,0]=3 546 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|1,1,0]=3 547 B6R0.3 CC(CBr)C(=O)O B135992 [0,1,0,0,0,0|1,1,1]=4 548 B6R0.3 CC(CN)C(=O)O D131745 [0,1,0,0,0,0|1,1,1]=4 549 B6R0.3 CC(CN)C(=O)O R340811 [0,1,0,0,0,0|1,1,1]=4 550 B6R0.3 CC(CN)C(=O)O S340803 [0,1,0,0,0,0|1,1,1]=4 551 B6R0.3 CC(CO)C(=O)O R343446 [0,1,0,0,0,0|1,1,1]=4 552 B6R0.3 CC(CS)C(=O)O M158216 [0,1,0,0,0,0|1,0,1]=3 553 B6R0.3 CC=C(C)C(C)C C153480 [0,1,0,0,0,0|1,0,2]=4 554 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.3 CCC(C(=O)Br)Br B135808 [0,1,0,0,0,0|1,1,1]=4 556 B6R0.3 CCC(C(=O)C)S M102973 [0,1,0,0,0,0|1,1,1]=4 557 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,1,0,0,0,0|1,1,1]=4 558 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,1,0,0,0,0|1,1,1]=4 559 B6R0.3 CCC(C(=O)N)Cl B301389 [0,1,0,0,0,0|1,1,1]=4 560 B6R0.3 CCC(C(=O)N)N A119770 [0,1,0,0,0,0|1,1,1]=4 561 B6R0.3 CCC(C(=O)N)N A124384 [0,1,0,0,0,0|1,1,1]=4 562 B6R0.3 CCC(C(=O)O)Br B108037 [0,1,0,0,0,0|1,1,1]=4 563 B6R0.3 CCC(C(=O)O)Cl C153465 [0,1,0,0,0,0|1,1,1]=4 564 B6R0.3 CCC(C(=O)O)Cl S161173 [0,1,0,0,0,0|1,1,1]=4 565 B6R0.3 CCC(C(=O)O)N A109788 [0,1,0,0,0,0|1,1,1]=4 566 B6R0.3 CCC(C(=O)O)N A111241 [0,1,0,0,0,0|1,1,1]=4 567 B6R0.3 CCC(C(=O)O)N A111260 [0,1,0,0,0,0|1,1,1]=4 568 B6R0.3 CCC(C(=O)O)N A414642 [0,1,0,0,0,0|1,1,1]=4 569 B6R0.3 CCC(C(=O)O)N D422924 [0,1,0,0,0,0|1,1,1]=4 570 B6R0.3 CCC(C(=O)O)O D298806 [0,1,0,0,0,0|1,1,1]=4 571 B6R0.3 CCC(C(=O)O)O S192800 [0,1,0,0,0,0|1,1,1]=4 572 B6R0.3 CCC(C(=O)[O-])O H101414 [0,1,0,0,0,0|1,1,1]=4 573 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|2,0,0]=3 574 B6R0.3 CCC(C)C(=O)C M158800 [0,1,0,0,0,0|0,1,1]=3 575 B6R0.3 CCC(C)C(=O)O I167890 [0,1,0,0,0,0|0,1,1]=3 576 B6R0.3 CCC(C)C(=O)O M107377 [0,1,0,0,0,0|0,1,1]=3 577 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|1,0,0]=2 578 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|1,0,0]=2 579 B6R0.3 CCN(C)C(=O)C N193140 [0,1,0,0,0,0|1,1,1]=4 580 B6R0.3 CCN(C)C(=O)Cl N159123 [0,1,0,0,0,0|1,1,1]=4 581 B6R0.8 C(C(CCl)(Cl)Cl)Cl T162281 [0,1,0,0,0,0|3,0,0]=4 582 B6R0.8 C(C(CO)(F)F)N A587411 [0,1,0,0,0,0|2,1,0]=4 583 B6R0.8 C(C(CO)(F)F)O D184503 [0,1,0,0,0,0|2,1,0]=4 584 B6R0.8 CC(C)(CCl)CCl D155310 [0,1,0,0,0,0|2,0,0]=3 585 B6R0.8 CC(C)(CN)CN D155089 [0,1,0,0,0,0|2,0,0]=3 586 B6R0.8 CC(C)(CO)C=O H304097 [0,1,0,0,0,0|1,1,1]=4 587 B6R0.8 CC(C)(CO)CBr B301654 [0,1,0,0,0,0|1,1,0]=3 588 B6R0.8 CC(C)(CO)CCl C113524 [0,1,0,0,0,0|1,1,0]=3 589 B6R0.8 CC(C)(CO)CO N103689 [0,1,0,0,0,0|1,1,0]=3 590 B6R0.8 CC(C)(CO)CO N306016 [0,1,0,0,0,0|1,1,0]=3 591 B6R0.8 CC(C)(CO)NC M192487 [0,1,0,0,0,0|1,1,0]=3 592 B6R0.8 CC(C)(CO)OC M588252 [0,1,0,0,0,0|1,1,0]=3 593 B6R0.8 CC(C)(OC)OC D105750 [0,1,0,0,0,0|3,0,0]=4 594 B6R0.8 CC(C)(OC)ON O159944 [0,1,0,0,0,0|3,0,0]=4 595 B6R0.8 CC(CO)(CO)N A106026 [0,1,0,0,0,0|1,1,0]=3 596 B6R0.8 CCC(C)(C#C)N M165842 [0,1,0,0,0,0|1,0,1]=3 597 B6R0.8 CCC(C)(C#C)O M106691 [0,1,0,0,0,0|1,0,1]=3 598 B6R0.8 CCC(C)(C)OC T105930 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.8 CCC(C)(C)OC T105931 [0,1,0,0,0,0|2,0,0]=3 600 B6R0.8 CCC(C)(C)OC T485859 [0,1,0,0,0,0|2,0,0]=3 601 B6R0.8 CCC(C)(CC)Cl C334524 [0,1,0,0,0,0|1,0,0]=2 602 B6R0.8 CCC(C)(CC)O M102200 [0,1,0,0,0,0|1,0,0]=2 603 B6R0.8 CCP(=O)(CC)O D590241 [0,1,0,0,0,0|3,0,0]=4 604 B6R0.8 CCP(=O)(CC)[O-] A303123 [0,1,0,0,0,0|3,0,0]=4 605 B6R0.8 CCS(=O)(=O)CC D304098 [0,1,0,0,0,0|3,0,0]=4 606 B6R0.8 CC[N+](C)(C)CC D140684 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.8 CC[Si](CC)(Cl)Cl D154925 [0,1,0,0,0,0|2,1,0]=4 608 B6R0.8 CO[Si](C)(C)CCl C191682 [0,1,0,0,0,0|2,1,0]=4 609 B6R0.9 B(CC)(CC)CC T106572 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.9 C(C(CO)CO)O H170489 [0,1,0,0,0,0|1,1,0]=3 611 B6R0.9 CCC(=CC)CC E156180 [0,1,0,0,0,0|1,0,1]=3 612 B6R0.9 CCC(CC)C=O E156502 [0,1,0,0,0,0|0,1,1]=3 613 B6R0.9 CCC(CC)CBr B152449 [0,1,0,0,0,0|1,0,0]=2 614 B6R0.9 CCC(CC)CC E156241 [0,1,0,0,0,0|1,0,0]=2 615 B6R0.9 CCC(CC)CCl C467301 [0,1,0,0,0,0|1,0,0]=2 616 B6R0.9 CCC(CC)CO E109374 [0,1,0,0,0,0|0,1,0]=2 617 B6R0.9 CCC(CO)OC M158746 [0,1,0,0,0,0|0,1,0]=2 618 B6R0.9 CCC(OC)OC P160797 [0,1,0,0,0,0|2,0,0]=3 619 B6R0.9 CCN(CC)C#N D154665 [0,1,0,0,0,0|2,0,1]=4 620 B6R0.9 CCN(CC)C=O D102964 [0,1,0,0,0,0|1,1,1]=4 621 B6R0.9 CCN(CC)CC F302957 [0,1,0,0,0,0|2,0,0]=3 622 B6R0.9 CCN(CC)CC S161206 [0,1,0,0,0,0|2,0,0]=3 623 B6R0.9 CCN(CC)CC T103284 [0,1,0,0,0,0|2,0,0]=3 624 B6R0.9 CCN(CC)CC T103285 [0,1,0,0,0,0|2,0,0]=3 625 B6R0.9 CCN(CC)CC T103287 [0,1,0,0,0,0|2,0,0]=3 626 B6R0.9 CCN(CC)CC T103288 [0,1,0,0,0,0|2,0,0]=3 627 B6R0.9 CCN(CC)CC T103289 [0,1,0,0,0,0|2,0,0]=3 628 B6R0.9 CCN(CC)CC T103290 [0,1,0,0,0,0|2,0,0]=3 629 B6R0.9 CCN(CC)CC T107263 [0,1,0,0,0,0|2,0,0]=3 630 B6R0.9 CCN(CC)CC T108431 [0,1,0,0,0,0|2,0,0]=3 631 B6R0.9 CCN(CC)CC T108432 [0,1,0,0,0,0|2,0,0]=3 632 B6R0.9 CCN(CC)CC T140677 [0,1,0,0,0,0|2,0,0]=3 633 B6R0.9 CCN(CC)CC T162216 [0,1,0,0,0,0|2,0,0]=3 634 B6R0.9 CCN(CC)CC T189177 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.9 CCN(CC)CC T331003 [0,1,0,0,0,0|2,0,0]=3 636 B6R0.9 CCN(CC)CC T345138 [0,1,0,0,0,0|2,0,0]=3 637 B6R0.9 CCN(CC)CC T345383 [0,1,0,0,0,0|2,0,0]=3 638 B6R0.9 CCN(CC)CC T431604 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.9 CCN(CC)CC T466164 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.9 CCN(CC)N=O N109570 [0,1,0,0,0,0|2,1,0]=4 641 B6R0.9 CCN(CC)N=O N109571 [0,1,0,0,0,0|2,1,0]=4 642 B6R0.9 CCN(CC)N=O N358096 [0,1,0,0,0,0|2,1,0]=4 643 B6R0.9 CCN(CC)N=O N424700 [0,1,0,0,0,0|2,1,0]=4 644 B6R0.9 CCP(CC)CC B300038 [0,1,0,0,0,0|2,0,0]=3 645 B6R0.9 CCP(CC)CC C138296 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.9 CCP(CC)CC D129150 [0,1,0,0,0,0|2,0,0]=3 647 B6R0.9 CCP(CC)CC T120625 [0,1,0,0,0,0|2,0,0]=3 648 B6R0.9 CC[Al](CC)C#N D466157 [0,1,0,0,0,0|2,0,1]=4 649 B6R0.9 CC[Al](CC)CC T434622 [0,1,0,0,0,0|2,0,0]=3 650 B6R0.9 CC[O+](CC)CC T109785 [0,1,0,0,0,0|2,0,0]=3 651 B6R0.9 CC[O+](CC)CC T168010 [0,1,0,0,0,0|2,0,0]=3 652 B6R0.9 CC[Si](CC)CC T106570 [0,1,0,0,0,0|1,1,0]=3 653 B6R0.9 COC(C=C)OC A151049 [0,1,0,0,0,0|2,0,1]=4 654 B6R0.9 COC(C=O)OC D170733 [0,1,0,0,0,0|1,1,1]=4 655 B6R0.9 COC(CBr)OC B100820 [0,1,0,0,0,0|2,0,0]=3 656 B6R0.9 COC(CCl)OC C106494 [0,1,0,0,0,0|2,0,0]=3 657 B6R0.9 COC(CN)OC A107137 [0,1,0,0,0,0|2,0,0]=3 658 B6R0.9 COC(CO)OC G136545 [0,1,0,0,0,0|1,1,0]=3 659 B6R0.9 COC(OC)OC T104064 [0,1,0,0,0,0|3,0,0]=4 660 B6R0.9 COC(OC)OC T104065 [0,1,0,0,0,0|3,0,0]=4 661 B6R1.2 C1C=CCC1O C141167 [0,0,0,1,0,0|2,0,1]=4 662 B6R1.2 C1CC(OC1)O H355199 [0,0,0,1,0,0|3,0,0]=4 663 B6R1.2 C1CCC(=O)C1 C108566 [0,0,0,1,0,0|2,0,1]=4 664 B6R1.2 C1CCC(=O)C1 C108567 [0,0,0,1,0,0|2,0,1]=4 665 B6R1.2 C1CCC(=O)C1 C108568 [0,0,0,1,0,0|2,0,1]=4 666 B6R1.2 C1CCC(=O)C1 C108569 [0,0,0,1,0,0|2,0,1]=4 667 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|2,0,0]=3 668 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|2,0,0]=3 669 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|2,0,0]=3 670 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|2,0,0]=3 671 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|2,0,0]=3 672 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|2,0,0]=3 673 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|2,0,0]=3 674 B6R1.2 C1CCS(=O)C1 T162808 [0,0,0,1,0,0|3,0,0]=4 675 B6R1.2 C1CNCC1=O P176320 [0,0,0,1,0,0|2,0,1]=4 676 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|2,0,0]=3 677 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|2,0,0]=3 678 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|2,0,0]=3 679 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|2,0,0]=3 680 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|2,0,0]=3 681 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|2,0,0]=3 682 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|2,0,0]=3 683 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|2,0,0]=3 684 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|2,0,0]=3 685 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|2,0,0]=3 686 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|2,0,0]=3 687 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|2,0,0]=3 688 B6R1.2 C1COCC1=O T161567 [0,0,0,1,0,0|1,1,1]=4 689 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|1,1,0]=3 690 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|1,1,0]=3 691 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|1,1,0]=3 692 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|1,1,0]=3 693 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|1,1,0]=3 694 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|1,1,0]=3 695 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|1,1,0]=3 696 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|1,1,0]=3 697 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|1,1,0]=3 698 B6R1.2 C1CSCC1=O D106839 [0,0,0,1,0,0|1,0,1]=3 699 B6R1.2 C=C1CCCC1 M158228 [0,0,0,1,0,0|1,0,2]=4 700 B6R1.2 CC1=CCCC1 M158230 [0,0,0,1,0,0|1,0,2]=4 701 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|2,0,1]=4 702 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|1,0,0]=2 703 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|1,0,0]=2 704 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|1,0,0]=2 705 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|2,0,0]=3 706 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|2,0,0]=3 707 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|2,0,0]=3 708 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|2,0,0]=3 709 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|2,0,0]=3 710 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|2,0,0]=3 711 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|2,0,0]=3 712 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|2,0,0]=3 713 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|2,0,0]=3 714 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|1,0,0]=2 715 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|0,1,0]=2 716 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|1,1,0]=3 717 B6R1.2 CC1OCCO1 M157785 [0,0,0,1,0,0|3,0,0]=4 718 B6R1.2 CN1CCCC1 M109523 [0,0,0,1,0,0|2,0,0]=3 719 B6R1.6 C1C(CN1)C#N A176201 [0,0,0,1,0,0|2,0,1]=4 720 B6R1.6 C1C(CN1)CO A124078 [0,0,0,1,0,0|1,1,0]=3 721 B6R1.6 C1C(CO1)C=O O173275 [0,0,0,1,0,0|1,1,1]=4 722 B6R1.6 C1C(CO1)CN A171234 [0,0,0,1,0,0|1,1,0]=3 723 B6R1.6 C1C(CO1)CO O176971 [0,0,0,1,0,0|1,1,0]=3 724 B6R1.6 C1CC(C1)C#N C479085 [0,0,0,1,0,0|1,0,1]=3 725 B6R1.6 C1CC(C1)CBr B119331 [0,0,0,1,0,0|1,0,0]=2 726 B6R1.6 C1CC(C1)CN C176494 [0,0,0,1,0,0|1,0,0]=2 727 B6R1.6 C1CC(C1)CN C176749 [0,0,0,1,0,0|1,0,0]=2 728 B6R1.6 C1CC(C1)CO C120878 [0,0,0,1,0,0|0,1,0]=2 729 B6R1.6 C1COC1CN S588071 [0,0,0,1,0,0|2,0,0]=3 730 B6R1.6 C1COC1CO H157030 [0,0,0,1,0,0|1,1,0]=3 731 B6R1.6 CNC1COC1 N178478 [0,0,0,1,0,0|1,1,0]=3 732 B6R1.6 COC1CNC1 M123270 [0,0,0,1,0,0|2,0,0]=3 733 B6R1.7 C1CC1(C#N)N A103045 [0,0,0,1,0,0|2,0,1]=4 734 B6R1.7 C1CC1(CO)N A166142 [0,0,0,1,0,0|1,1,0]=3 735 B6R1.7 CC1(CC1)CO M473138 [0,0,0,1,0,0|0,1,0]=2 736 B6R1.7 CC1(CO1)C=C M115674 [0,0,0,1,0,0|0,1,2]=4 737 B6R1.7 CC1(CO1)CCl C136952 [0,0,0,1,0,0|1,1,0]=3 738 B3R0.1 C(CBr)Cl B106996 [2,0,0,0,0,0|2,0,0]=4 739 B3R0.1 C(CBr)N B109291 [2,0,0,0,0,0|2,0,0]=4 740 B3R0.1 C(CBr)O B111177 [2,0,0,0,0,0|1,1,0]=4 741 B3R0.1 C(CBr)O B111178 [2,0,0,0,0,0|1,1,0]=4 742 B3R0.1 C(CBr)O B136478 [2,0,0,0,0,0|1,1,0]=4 743 B3R0.1 C(CCl)Cl D115109 [2,0,0,0,0,0|2,0,0]=4 744 B3R0.1 C(CCl)Cl D116246 [2,0,0,0,0,0|2,0,0]=4 745 B3R0.1 C(CCl)Cl D116247 [2,0,0,0,0,0|2,0,0]=4 746 B3R0.1 C(CCl)Cl D116248 [2,0,0,0,0,0|2,0,0]=4 747 B3R0.1 C(CCl)Cl D116249 [2,0,0,0,0,0|2,0,0]=4 748 B3R0.1 C(CCl)Cl D116251 [2,0,0,0,0,0|2,0,0]=4 749 B3R0.1 C(CCl)Cl D116253 [2,0,0,0,0,0|2,0,0]=4 750 B3R0.1 C(CCl)Cl D119458 [2,0,0,0,0,0|2,0,0]=4 751 B3R0.1 C(CCl)Cl D128127 [2,0,0,0,0,0|2,0,0]=4 752 B3R0.1 C(CCl)Cl D431341 [2,0,0,0,0,0|2,0,0]=4 753 B3R0.1 C(CCl)N C107599 [2,0,0,0,0,0|2,0,0]=4 754 B3R0.1 C(CF)N F138873 [2,0,0,0,0,0|2,0,0]=4 755 B3R0.1 C(CF)O F110315 [2,0,0,0,0,0|1,1,0]=4 756 B3R0.1 C(CI)Cl C140416 [2,0,0,0,0,0|2,0,0]=4 757 B3R0.1 C(CI)F F194951 [2,0,0,0,0,0|2,0,0]=4 758 B3R0.1 C(CI)I D155311 [2,0,0,0,0,0|2,0,0]=4 759 B3R0.1 C(CI)O I137311 [2,0,0,0,0,0|1,1,0]=4 760 B3R0.1 C(CI)O I575056 [2,0,0,0,0,0|1,1,0]=4 761 B3R0.1 C(CN)N D129174 [2,0,0,0,0,0|2,0,0]=4 762 B3R0.1 C(CN)N D189014 [2,0,0,0,0,0|2,0,0]=4 763 B3R0.1 C(CN)N E108437 [2,0,0,0,0,0|2,0,0]=4 764 B3R0.1 C(CN)N E112132 [2,0,0,0,0,0|2,0,0]=4 765 B3R0.1 C(CN)N E112640 [2,0,0,0,0,0|2,0,0]=4 766 B3R0.1 C(CN)N E112642 [2,0,0,0,0,0|2,0,0]=4 767 B3R0.1 C(CN)N E112643 [2,0,0,0,0,0|2,0,0]=4 768 B3R0.1 C(CN)N E137281 [2,0,0,0,0,0|2,0,0]=4 769 B3R0.1 C(CN)N E156113 [2,0,0,0,0,0|2,0,0]=4 770 B3R0.1 C(CN)N E431349 [2,0,0,0,0,0|2,0,0]=4 771 B3R0.1 C(CN)N E468771 [2,0,0,0,0,0|2,0,0]=4 772 B3R0.1 C(CN)N E472137 [2,0,0,0,0,0|2,0,0]=4 773 B3R0.1 C(CN)N E492758 [2,0,0,0,0,0|2,0,0]=4 774 B3R0.1 C(CN)N E492761 [2,0,0,0,0,0|2,0,0]=4 775 B3R0.1 C(CN)N E492905 [2,0,0,0,0,0|2,0,0]=4 776 B3R0.1 C(CN)N P121256 [2,0,0,0,0,0|2,0,0]=4 777 B3R0.1 C(CO)N A301834 [2,0,0,0,0,0|1,1,0]=4 778 B3R0.1 C(CO)N E103802 [2,0,0,0,0,0|1,1,0]=4 779 B3R0.1 C(CO)N E103806 [2,0,0,0,0,0|1,1,0]=4 780 B3R0.1 C(CO)N E103808 [2,0,0,0,0,0|1,1,0]=4 781 B3R0.1 C(CO)N E103809 [2,0,0,0,0,0|1,1,0]=4 782 B3R0.1 C(CO)N E103810 [2,0,0,0,0,0|1,1,0]=4 783 B3R0.1 C(CO)N E120635 [2,0,0,0,0,0|1,1,0]=4 784 B3R0.1 C(CO)N E292771 [2,0,0,0,0,0|1,1,0]=4 785 B3R0.1 C(CO)N E292783 [2,0,0,0,0,0|1,1,0]=4 786 B3R0.1 C(CO)N E301792 [2,0,0,0,0,0|1,1,0]=4 787 B3R0.1 C(CO)N E422436 [2,0,0,0,0,0|1,1,0]=4 788 B3R0.1 C(CO)N E491883 [2,0,0,0,0,0|1,1,0]=4 789 B3R0.1 C(CO)O E103318 [2,0,0,0,0,0|1,1,0]=4 790 B3R0.1 C(CO)O E103319 [2,0,0,0,0,0|1,1,0]=4 791 B3R0.1 C(CO)O E103321 [2,0,0,0,0,0|1,1,0]=4 792 B3R0.1 C(CO)O E103322 [2,0,0,0,0,0|1,1,0]=4 793 B3R0.1 C(CO)O E103323 [2,0,0,0,0,0|1,1,0]=4 794 B3R0.1 C(CO)O E119700 [2,0,0,0,0,0|1,1,0]=4 795 B3R0.1 C(CO)O E336117 [2,0,0,0,0,0|1,1,0]=4 796 B3R0.1 C(CO)O E431350 [2,0,0,0,0,0|1,1,0]=4 797 B3R0.1 C(CO)O E472164 [2,0,0,0,0,0|1,1,0]=4 798 B3R0.1 C(CS)N C106201 [2,0,0,0,0,0|1,0,0]=3 799 B3R0.1 C(CS)N C106461 [2,0,0,0,0,0|1,0,0]=3 800 B3R0.1 C(CS)N C406662 [2,0,0,0,0,0|1,0,0]=3 801 B3R0.1 C(CS)N C421874 [2,0,0,0,0,0|1,0,0]=3 802 B3R0.1 C(CS)N C425002 [2,0,0,0,0,0|1,0,0]=3 803 B3R0.1 C(CS)N E491887 [2,0,0,0,0,0|1,0,0]=3 804 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|1,0,0]=3 805 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|1,0,0]=3 806 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|1,0,0]=3 807 B3R0.1 C(CS)S E106222 [2,0,0,0,0,0|1,0,0]=3 808 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,1,1]=4 809 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,1,1]=4 810 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,0]=3 811 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,0]=3 812 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,0]=3 813 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,0]=3 814 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,0]=3 815 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,0]=3 816 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,0]=3 817 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,0]=3 818 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,0]=3 819 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,0]=3 820 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,0]=3 821 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,0]=3 822 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,0]=3 823 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,0]=3 824 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,1,0]=3 825 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,1,0]=3 826 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,1,0]=3 827 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,1,0]=3 828 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,1,0]=3 829 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,1,0]=3 830 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,1,0]=3 831 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,1,0]=3 832 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,1,0]=3 833 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,0,0]=2 834 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,0,0]=2 835 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|0,0,1]=3 836 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|0,0,1]=3 837 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|0,0,1]=3 838 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|0,0,1]=3 839 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|0,0,1]=3 840 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,1,0]=3 841 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,1,0]=3 842 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,0,1]=3 843 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,1,0]=4 844 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 845 B3R0.1 CCSC E140654 [2,0,0,0,0,0|1,0,0]=3 846 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|0,0,1]=3 847 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|1,0,0]=3 848 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|1,0,0]=3 849 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|1,0,0]=3 850 B3R0.1 CNOC D123576 [2,0,0,0,0,0|2,0,0]=4 851 B3R0.1 COCBr B138143 [2,0,0,0,0,0|2,0,0]=4 852 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|2,0,0]=4 853 B3R0.1 C[Se][Se]C D133995 [2,0,0,0,0,0|2,0,0]=4 854 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|0,0,2]=4 855 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|0,0,2]=4 856 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|0,0,2]=4 857 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|0,0,2]=4 858 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|0,0,2]=4 859 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|0,0,2]=4 860 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|0,0,2]=4 861 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|0,0,2]=4 862 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|0,0,2]=4 863 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,1,1]=4 864 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,1,1]=4 865 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,1,1]=4 866 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,1,1]=4 867 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,1,1]=4 868 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,1,1]=4 869 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,1,1]=4 870 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|1,0,1]=4 871 B3R0.2 CC(Br)Br D155317 [2,0,0,0,0,0|2,0,0]=4 872 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,0]=3 873 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,0]=3 874 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,0]=3 875 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,0]=3 876 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,0]=3 877 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,0]=3 878 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,0]=3 879 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,0]=3 880 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,0]=3 881 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,0]=3 882 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,1,0]=3 883 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,1,0]=3 884 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,1,0]=3 885 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,1,0]=3 886 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,1,0]=3 887 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,1,0]=3 888 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,1,0]=3 889 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,1,0]=3 890 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,1,0]=3 891 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,1,0]=3 892 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,1,0]=3 893 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,1,0]=3 894 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,1,0]=3 895 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,1,0]=3 896 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,1,0]=3 897 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,1,0]=3 898 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,1,0]=3 899 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,0,0]=2 900 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|0,0,1]=3 901 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,1,0]=3 902 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,1,0]=3 903 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,1,0]=3 904 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,1,0]=3 905 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,1,0]=3 906 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,1,0]=3 907 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,1,0]=3 908 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,1,0]=3 909 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,1,0]=3 910 B3R0.2 CC(Cl)Cl D119825 [2,0,0,0,0,0|2,0,0]=4 911 B3R0.2 CC(Cl)Cl D128120 [2,0,0,0,0,0|2,0,0]=4 912 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|1,0,0]=3 913 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|1,0,0]=3 914 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|1,0,0]=3 915 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|1,0,0]=3 916 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|1,0,0]=3 917 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|1,0,0]=3 918 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|1,0,0]=3 919 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|1,0,0]=3 920 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,1,0]=4 921 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,1,0]=4 922 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,1,0]=4 923 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,1,0]=4 924 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,1,0]=4 925 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,1,0]=4 926 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,1,0]=4 927 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,1,0]=4 928 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,1,0]=4 929 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,1,0]=4 930 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,1,0]=4 931 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,1,0]=4 932 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,1,0]=4 933 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,1,0]=4 934 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,1,0]=4 935 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,1,0]=4 936 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,1,0]=4 937 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,1,0]=4 938 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,1,0]=4 939 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,1,0]=4 940 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 941 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|0,0,1]=3 942 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|0,0,1]=3 943 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|1,0,1]=4 944 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,1,0]=4 945 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 946 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|1,0,0]=3 947 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|1,0,0]=3 948 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|1,0,0]=3 949 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,2,0]=4 950 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|1,0,0]=3 951 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|1,0,0]=3 952 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|1,0,0]=3 953 B5R0.1 CC#CC(C)C M157953 [1,1,0,0,0,0|0,0,1]=3 954 B5R0.1 CC(=C)CCO M158231 [1,1,0,0,0,0|0,0,2]=4 955 B5R0.1 CC(=CCBr)C D104495 [1,1,0,0,0,0|0,0,2]=4 956 B5R0.1 CC(=CCBr)C D104497 [1,1,0,0,0,0|0,0,2]=4 957 B5R0.1 CC(=CCCl)C C189147 [1,1,0,0,0,0|0,0,2]=4 958 B5R0.1 CC(=CCCl)C C638572 [1,1,0,0,0,0|0,0,2]=4 959 B5R0.1 CC(=CCO)C M106454 [1,1,0,0,0,0|0,0,2]=4 960 B5R0.1 CC(=CCO)C M106455 [1,1,0,0,0,0|0,0,2]=4 961 B5R0.1 CC(=O)CCO H106330 [1,1,0,0,0,0|0,1,1]=4 962 B5R0.1 CC(=O)COC M158844 [1,1,0,0,0,0|0,1,1]=4 963 B5R0.1 CC(C)CC#C M157952 [1,1,0,0,0,0|0,0,1]=3 964 B5R0.1 CC(C)CC#N I137312 [1,1,0,0,0,0|0,0,1]=3 965 B5R0.1 CC(C)CC=C M158219 [1,1,0,0,0,0|0,0,1]=3 966 B5R0.1 CC(C)CC=O I103729 [1,1,0,0,0,0|0,0,1]=3 967 B5R0.1 CC(C)CC=O I103733 [1,1,0,0,0,0|0,0,1]=3 968 B5R0.1 CC(C)CCBr I109279 [1,1,0,0,0,0|0,0,0]=2 969 B5R0.1 CC(C)CCCl C105682 [1,1,0,0,0,0|0,0,0]=2 970 B5R0.1 CC(C)CCI I100674 [1,1,0,0,0,0|0,0,0]=2 971 B5R0.1 CC(C)CCN I109581 [1,1,0,0,0,0|0,0,0]=2 972 B5R0.1 CC(C)CCN I404590 [1,1,0,0,0,0|0,0,0]=2 973 B5R0.1 CC(C)CCO M116196 [1,1,0,0,0,0|0,0,0]=2 974 B5R0.1 CC(C)CCO M116197 [1,1,0,0,0,0|0,0,0]=2 975 B5R0.1 CC(C)CCO M116198 [1,1,0,0,0,0|0,0,0]=2 976 B5R0.1 CC(C)CCO M116200 [1,1,0,0,0,0|0,0,0]=2 977 B5R0.1 CC(C)CCO M116201 [1,1,0,0,0,0|0,0,0]=2 978 B5R0.1 CC(C)CCO M119838 [1,1,0,0,0,0|0,0,0]=2 979 B5R0.1 CC(C)CCS M101609 [1,1,0,0,0,0|0,0,0]=2 980 B5R0.1 CC(C)CNN I588327 [1,1,0,0,0,0|1,0,0]=3 981 B5R0.1 CC(C)C[Zn]Br I465880 [1,1,0,0,0,0|1,0,0]=3 982 B5R0.1 CC(C)N=C=S I138525 [1,1,0,0,0,0|0,0,2]=4 983 B5R0.1 CC(C)OC=O I112304 [1,1,0,0,0,0|0,1,1]=4 984 B5R0.1 CC(C)OCCl C189120 [1,1,0,0,0,0|1,0,0]=3 985 B5R0.1 CC(C)SC#N I349763 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.1 CC(CC#C)O P160660 [1,1,0,0,0,0|0,1,1]=4 987 B5R0.1 CC(CC=C)O P160534 [1,1,0,0,0,0|0,1,1]=4 988 B5R0.1 CC(CC=C)O R467366 [1,1,0,0,0,0|0,1,1]=4 989 B5R0.1 CC(CC=C)O S467331 [1,1,0,0,0,0|0,1,1]=4 990 B5R0.1 CC(CCBr)Br D155315 [1,1,0,0,0,0|1,0,0]=3 991 B5R0.1 CC(CCBr)O B589640 [1,1,0,0,0,0|0,1,0]=3 992 B5R0.1 CC(CCCl)Cl D155308 [1,1,0,0,0,0|1,0,0]=3 993 B5R0.1 CC(CCO)N A123608 [1,1,0,0,0,0|1,0,0]=3 994 B5R0.1 CC(CCO)N A183438 [1,1,0,0,0,0|1,0,0]=3 995 B5R0.1 CC(CCO)N S176942 [1,1,0,0,0,0|1,0,0]=3 996 B5R0.1 CC(CCO)O B111016 [1,1,0,0,0,0|0,1,0]=3 997 B5R0.1 CC(CCO)O B111017 [1,1,0,0,0,0|0,1,0]=3 998 B5R0.1 CC(CCO)O B111018 [1,1,0,0,0,0|0,1,0]=3 999 B5R0.1 CC(CCO)O B119672 [1,1,0,0,0,0|0,1,0]=3 1000 B5R0.1 CC(CCO)O R160960 [1,1,0,0,0,0|0,1,0]=3 1001 B5R0.1 CC(CCO)O S138551 [1,1,0,0,0,0|0,1,0]=3 1002 B5R0.1 CC(CNC)O M587581 [1,1,0,0,0,0|0,1,0]=3 1003 B5R0.1 CC(COC)N M169973 [1,1,0,0,0,0|1,0,0]=3 1004 B5R0.1 CC(COC)N S475332 [1,1,0,0,0,0|1,0,0]=3 1005 B5R0.1 CC(COC)N S586466 [1,1,0,0,0,0|1,0,0]=3 1006 B5R0.1 CC(COC)O M105264 [1,1,0,0,0,0|0,1,0]=3 1007 B5R0.1 CC(COC)O M105265 [1,1,0,0,0,0|0,1,0]=3 1008 B5R0.1 CC(COC)O M105266 [1,1,0,0,0,0|0,1,0]=3 1009 B5R0.1 CC(COC)O M299436 [1,1,0,0,0,0|0,1,0]=3 1010 B5R0.1 CC(COC)O R160841 [1,1,0,0,0,0|0,1,0]=3 1011 B5R0.1 CC(COC)O S161357 [1,1,0,0,0,0|0,1,0]=3 1012 B5R0.1 CC=CC(C)C M158236 [1,1,0,0,0,0|0,0,1]=3 1013 B5R0.1 CC=CC(C)C T162379 [1,1,0,0,0,0|0,0,1]=3 1014 B5R0.1 CCC=C(C)C M158233 [1,1,0,0,0,0|0,0,1]=3 1015 B5R0.1 CCCC(=C)C M158211 [1,1,0,0,0,0|0,0,2]=4 1016 B5R0.1 CCCC(=O)C P103780 [1,1,0,0,0,0|0,1,1]=4 1017 B5R0.1 CCCC(=O)C P103781 [1,1,0,0,0,0|0,1,1]=4 1018 B5R0.1 CCCC(=O)C P103782 [1,1,0,0,0,0|0,1,1]=4 1019 B5R0.1 CCCC(=O)C P103783 [1,1,0,0,0,0|0,1,1]=4 1020 B5R0.1 CCCC(C)Br B400517 [1,1,0,0,0,0|1,0,0]=3 1021 B5R0.1 CCCC(C)C I157548 [1,1,0,0,0,0|0,0,0]=2 1022 B5R0.1 CCCC(C)C M105775 [1,1,0,0,0,0|0,0,0]=2 1023 B5R0.1 CCCC(C)C M105776 [1,1,0,0,0,0|0,0,0]=2 1024 B5R0.1 CCCC(C)C M105777 [1,1,0,0,0,0|0,0,0]=2 1025 B5R0.1 CCCC(C)C M105778 [1,1,0,0,0,0|0,0,0]=2 1026 B5R0.1 CCCC(C)C M137744 [1,1,0,0,0,0|0,0,0]=2 1027 B5R0.1 CCCC(C)Cl C467357 [1,1,0,0,0,0|1,0,0]=3 1028 B5R0.1 CCCC(C)N A151353 [1,1,0,0,0,0|1,0,0]=3 1029 B5R0.1 CCCC(C)O P103442 [1,1,0,0,0,0|0,1,0]=3 1030 B5R0.1 CCCC(C)O P103443 [1,1,0,0,0,0|0,1,0]=3 1031 B5R0.1 CCCC(C)O R138651 [1,1,0,0,0,0|0,1,0]=3 1032 B5R0.1 CCCC(C)O S138580 [1,1,0,0,0,0|0,1,0]=3 1033 B5R0.1 CCCN(C)C N404354 [1,1,0,0,0,0|1,0,0]=3 1034 B5R0.1 CCNC(=O)C I135660 [1,1,0,0,0,0|0,1,1]=4 1035 B5R0.1 CCNC(C)C N159098 [1,1,0,0,0,0|0,0,0]=2 1036 B5R0.1 CCOC(=N)C E132730 [1,1,0,0,0,0|1,0,1]=4 1037 B5R0.1 CCOC(=O)C E116131 [1,1,0,0,0,0|0,1,1]=4 1038 B5R0.1 CCOC(=O)C E116132 [1,1,0,0,0,0|0,1,1]=4 1039 B5R0.1 CCOC(=O)C E116133 [1,1,0,0,0,0|0,1,1]=4 1040 B5R0.1 CCOC(=O)C E116134 [1,1,0,0,0,0|0,1,1]=4 1041 B5R0.1 CCOC(=O)C E116135 [1,1,0,0,0,0|0,1,1]=4 1042 B5R0.1 CCOC(=O)C E116136 [1,1,0,0,0,0|0,1,1]=4 1043 B5R0.1 CCOC(=O)C E116137 [1,1,0,0,0,0|0,1,1]=4 1044 B5R0.1 CCOC(=O)C E116138 [1,1,0,0,0,0|0,1,1]=4 1045 B5R0.1 CCOC(=O)C E116139 [1,1,0,0,0,0|0,1,1]=4 1046 B5R0.1 CCOC(=O)C E116141 [1,1,0,0,0,0|0,1,1]=4 1047 B5R0.1 CCOC(=O)C E116142 [1,1,0,0,0,0|0,1,1]=4 1048 B5R0.1 CCOC(=O)C E119698 [1,1,0,0,0,0|0,1,1]=4 1049 B5R0.1 CCOC(=O)C E141165 [1,1,0,0,0,0|0,1,1]=4 1050 B5R0.1 CCOC(=O)C E302266 [1,1,0,0,0,0|0,1,1]=4 1051 B5R0.1 CCOC(=O)C E432070 [1,1,0,0,0,0|0,1,1]=4 1052 B5R0.1 CCO[Si](C)C D191031 [1,1,0,0,0,0|0,1,0]=3 1053 B5R0.1 CCSC(=O)C E107950 [1,1,0,0,0,0|0,1,1]=4 1054 B5R0.1 CCSC(=S)C E338928 [1,1,0,0,0,0|0,0,2]=4 1055 B5R0.1 CN(C)CC#C N159655 [1,1,0,0,0,0|1,0,1]=4 1056 B5R0.1 CN(C)CC=C D117859 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.1 CN(C)CC=O D587172 [1,1,0,0,0,0|1,0,1]=4 1058 B5R0.1 CN(C)CCBr B183437 [1,1,0,0,0,0|1,0,0]=3 1059 B5R0.1 CN(C)CCN D105347 [1,1,0,0,0,0|1,0,0]=3 1060 B5R0.1 CN(C)CCN N404297 [1,1,0,0,0,0|1,0,0]=3 1061 B5R0.1 CN(C)CCN N404298 [1,1,0,0,0,0|1,0,0]=3 1062 B5R0.1 CN(C)CCO D109078 [1,1,0,0,0,0|1,0,0]=3 1063 B5R0.1 CN(C)CCO D109079 [1,1,0,0,0,0|1,0,0]=3 1064 B5R0.1 CN(C)CCO D109080 [1,1,0,0,0,0|1,0,0]=3 1065 B5R0.1 CSCS(=O)C M158415 [1,1,0,0,0,0|1,1,0]=4 1066 B5R0.4 CC(C)(C#C)Cl W132347 [1,1,0,0,0,0|0,0,2]=4 1067 B5R0.4 CC(C)(C#C)N M138627 [1,1,0,0,0,0|0,0,2]=4 1068 B5R0.4 CC(C)(C#C)O M107736 [1,1,0,0,0,0|0,0,2]=4 1069 B5R0.4 CC(C)(C#N)I I157654 [1,1,0,0,0,0|1,0,1]=4 1070 B5R0.4 CC(C)(C#N)N A184859 [1,1,0,0,0,0|1,0,1]=4 1071 B5R0.4 CC(C)(C)C#N P160477 [1,1,0,0,0,0|1,0,1]=4 1072 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|0,0,2]=4 1073 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|0,1,1]=4 1074 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|0,1,1]=4 1075 B5R0.4 CC(C)(C)CBr B472553 [1,1,0,0,0,0|1,0,0]=3 1076 B5R0.4 CC(C)(C)CN D191210 [1,1,0,0,0,0|1,0,0]=3 1077 B5R0.4 CC(C)(C)CN N159082 [1,1,0,0,0,0|1,0,0]=3 1078 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|0,1,0]=3 1079 B5R0.4 CC(C)(C)N=[Ta] T283059 [1,1,0,0,0,0|2,0,0]=4 1080 B5R0.4 CC(C)(C)NC N339191 [1,1,0,0,0,0|1,0,0]=3 1081 B5R0.4 CC(C)(C)NN I135282 [1,1,0,0,0,0|2,0,0]=4 1082 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|1,1,0]=4 1083 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|1,1,0]=4 1084 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|1,1,0]=4 1085 B5R0.4 CC(C)(C)OC B108113 [1,1,0,0,0,0|1,0,0]=3 1086 B5R0.4 CC(C)(C)OC B108114 [1,1,0,0,0,0|1,0,0]=3 1087 B5R0.4 CC(C)(C)OC B108115 [1,1,0,0,0,0|1,0,0]=3 1088 B5R0.4 CC(C)(C)OC B108116 [1,1,0,0,0,0|1,0,0]=3 1089 B5R0.4 CC(C)(C)OC B108117 [1,1,0,0,0,0|1,0,0]=3 1090 B5R0.4 CC(C)(C)OC B108119 [1,1,0,0,0,0|1,0,0]=3 1091 B5R0.4 CC(C)(C)OC B108120 [1,1,0,0,0,0|1,0,0]=3 1092 B5R0.4 CC(C)(C)OC B108121 [1,1,0,0,0,0|1,0,0]=3 1093 B5R0.4 CC(C)(C)OC B119671 [1,1,0,0,0,0|1,0,0]=3 1094 B5R0.4 CC(C)(C)OC T432179 [1,1,0,0,0,0|1,0,0]=3 1095 B5R0.4 CC(C)(C)ON O135125 [1,1,0,0,0,0|2,0,0]=4 1096 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|1,1,0]=4 1097 B5R0.4 CC(C)(C)[N+]#[C-] B106836 [1,1,0,0,0,0|1,0,1]=4 1098 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|0,0,2]=4 1099 B5R0.4 CC(C)(CBr)Br D472522 [1,1,0,0,0,0|1,0,0]=3 1100 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|1,0,0]=3 1101 B5R0.4 CC(C)(CCl)Cl D589600 [1,1,0,0,0,0|1,0,0]=3 1102 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|1,0,0]=3 1103 B5R0.4 CC(C)(CN)N D155077 [1,1,0,0,0,0|1,0,0]=3 1104 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|1,0,0]=3 1105 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|0,1,0]=3 1106 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|0,1,0]=3 1107 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|0,1,0]=3 1108 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|0,1,0]=3 1109 B5R0.4 CC(CN)(F)F D195429 [1,1,0,0,0,0|2,0,0]=4 1110 B5R0.4 CC(CO)(F)F D169652 [1,1,0,0,0,0|1,1,0]=4 1111 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|0,0,0]=2 1112 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|0,0,0]=2 1113 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|0,0,0]=2 1114 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|0,0,0]=2 1115 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|0,0,0]=2 1116 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|0,0,0]=2 1117 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|0,0,0]=2 1118 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|0,0,0]=2 1119 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|0,0,0]=2 1120 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|0,0,0]=2 1121 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|0,0,0]=2 1122 B5R0.4 CCC(C)(Cl)Cl D155312 [1,1,0,0,0,0|1,0,0]=3 1123 B5R0.4 CCS(=O)(=O)C E156277 [1,1,0,0,0,0|1,1,0]=4 1124 B5R0.4 CC[N+](C)(C)C E156357 [1,1,0,0,0,0|1,0,0]=3 1125 B5R0.4 CC[Si](C)(C)Cl D155943 [1,1,0,0,0,0|0,1,0]=3 1126 B5R0.4 CO[Si](C)(C)C M158463 [1,1,0,0,0,0|1,1,0]=4 1127 B5R0.4 CO[Si](C)(C)C M489683 [1,1,0,0,0,0|1,1,0]=4 1128 B5R0.4 C[Si](C)(C)CBr B152736 [1,1,0,0,0,0|1,1,0]=4 1129 B5R0.4 C[Si](C)(C)CCl C115785 [1,1,0,0,0,0|1,1,0]=4 1130 B5R0.4 C[Si](C)(C)CI I107729 [1,1,0,0,0,0|1,1,0]=4 1131 B5R0.4 C[Si](C)(C)CO T161625 [1,1,0,0,0,0|0,2,0]=4 1132 B5R0.4 C[Si](C)(CCl)Cl C131795 [1,1,0,0,0,0|1,1,0]=4 1133 B5R0.5 B(C(C)C)(O)O I120299 [1,1,0,0,0,0|1,1,0]=4 1134 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|0,0,2]=4 1135 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|1,0,1]=4 1136 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|1,0,1]=4 1137 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|1,0,1]=4 1138 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|1,0,1]=4 1139 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|1,0,1]=4 1140 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|1,0,1]=4 1141 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|1,0,1]=4 1142 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|1,0,1]=4 1143 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|1,0,1]=4 1144 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|0,1,1]=4 1145 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|0,1,1]=4 1146 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|0,1,1]=4 1147 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|0,1,1]=4 1148 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|0,1,1]=4 1149 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|0,0,1]=3 1150 B5R0.5 CC(C(=O)O)S T162374 [1,1,0,0,0,0|1,0,1]=4 1151 B5R0.5 CC(C(C)Cl)Cl D155309 [1,1,0,0,0,0|1,0,0]=3 1152 B5R0.5 CC(C(C)O)O B103428 [1,1,0,0,0,0|0,1,0]=3 1153 B5R0.5 CC(C(C)O)O B424414 [1,1,0,0,0,0|0,1,0]=3 1154 B5R0.5 CC(C(C)O)O R135716 [1,1,0,0,0,0|0,1,0]=3 1155 B5R0.5 CC(C(C)O)O R422817 [1,1,0,0,0,0|0,1,0]=3 1156 B5R0.5 CC(C(C)O)O R470710 [1,1,0,0,0,0|0,1,0]=3 1157 B5R0.5 CC(C(C)O)O S160997 [1,1,0,0,0,0|0,1,0]=3 1158 B5R0.5 CC(C(C)S)O M102962 [1,1,0,0,0,0|0,0,0]=2 1159 B5R0.5 CC(C(C)S)O M158761 [1,1,0,0,0,0|0,0,0]=2 1160 B5R0.5 CC(C(C)S)S B102921 [1,1,0,0,0,0|0,0,0]=2 1161 B5R0.5 CC(C(Cl)Cl)Cl T162273 [1,1,0,0,0,0|2,0,0]=4 1162 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|0,0,1]=3 1163 B5R0.5 CC(C)C(=N)N I335550 [1,1,0,0,0,0|1,0,1]=4 1164 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,0,1]=3 1165 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,0,1]=3 1166 B5R0.5 CC(C)C(=O)Cl I107549 [1,1,0,0,0,0|0,1,1]=4 1167 B5R0.5 CC(C)C(=O)N I157612 [1,1,0,0,0,0|0,1,1]=4 1168 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|0,1,1]=4 1169 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|0,1,1]=4 1170 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|0,1,1]=4 1171 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|0,1,1]=4 1172 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|0,1,1]=4 1173 B5R0.5 CC(C)C(=O)[O-] P160181 [1,1,0,0,0,0|0,1,1]=4 1174 B5R0.5 CC(C)C(=S)N T140153 [1,1,0,0,0,0|0,0,2]=4 1175 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|0,0,0]=2 1176 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|0,0,0]=2 1177 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|0,0,0]=2 1178 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|0,0,0]=2 1179 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|0,0,0]=2 1180 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|0,0,0]=2 1181 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|0,0,0]=2 1182 B5R0.5 CC(C)N(C)C N159099 [1,1,0,0,0,0|1,0,0]=3 1183 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,1,0,0,0,0|1,1,0]=4 1184 B5R0.5 CC(C)[Si](C)C D356950 [1,1,0,0,0,0|0,1,0]=3 1185 B5R0.5 CN(C)C(=S)S D154695 [1,1,0,0,0,0|1,0,1]=4 1186 B5R0.2 C#CCCCCl C107731 [1,1,0,0,0,0|1,0,1]=4 1187 B5R0.2 C#CCCCI I465322 [1,1,0,0,0,0|1,0,1]=4 1188 B5R0.2 C#CCCCO P106295 [1,1,0,0,0,0|0,1,1]=4 1189 B5R0.2 C(CC#N)CBr B152157 [1,1,0,0,0,0|1,0,1]=4 1190 B5R0.2 C(CC#N)CCl C102368 [1,1,0,0,0,0|1,0,1]=4 1191 B5R0.2 C(CCBr)CBr D105749 [1,1,0,0,0,0|1,0,0]=3 1192 B5R0.2 C(CCBr)CCl B109690 [1,1,0,0,0,0|1,0,0]=3 1193 B5R0.2 C(CCBr)CF B122542 [1,1,0,0,0,0|1,0,0]=3 1194 B5R0.2 C(CCBr)CN B163034 [1,1,0,0,0,0|1,0,0]=3 1195 B5R0.2 C(CCBr)CO B136242 [1,1,0,0,0,0|0,1,0]=3 1196 B5R0.2 C(CCCl)CCl D103409 [1,1,0,0,0,0|1,0,0]=3 1197 B5R0.2 C(CCCl)CO C118833 [1,1,0,0,0,0|0,1,0]=3 1198 B5R0.2 C(CCI)CCl C153542 [1,1,0,0,0,0|1,0,0]=3 1199 B5R0.2 C(CCI)CI D155304 [1,1,0,0,0,0|1,0,0]=3 1200 B5R0.2 C(CCN)CN B292804 [1,1,0,0,0,0|1,0,0]=3 1201 B5R0.2 C(CCN)CN B304967 [1,1,0,0,0,0|1,0,0]=3 1202 B5R0.2 C(CCN)CN B492953 [1,1,0,0,0,0|1,0,0]=3 1203 B5R0.2 C(CCN)CN D106194 [1,1,0,0,0,0|1,0,0]=3 1204 B5R0.2 C(CCN)CN D423441 [1,1,0,0,0,0|1,0,0]=3 1205 B5R0.2 C(CCN)CN D472054 [1,1,0,0,0,0|1,0,0]=3 1206 B5R0.2 C(CCO)CN A109739 [1,1,0,0,0,0|0,1,0]=3 1207 B5R0.2 C(CCO)CO B110391 [1,1,0,0,0,0|0,1,0]=3 1208 B5R0.2 C(CCO)CO B110394 [1,1,0,0,0,0|0,1,0]=3 1209 B5R0.2 C(CCO)CO B110395 [1,1,0,0,0,0|0,1,0]=3 1210 B5R0.2 C(CCS)CO M338696 [1,1,0,0,0,0|0,0,0]=2 1211 B5R0.2 C(CCS)CS B152757 [1,1,0,0,0,0|0,0,0]=2 1212 B5R0.2 C(CCS)CS B419814 [1,1,0,0,0,0|0,0,0]=2 1213 B5R0.2 C(CCl)OCCl C140412 [1,1,0,0,0,0|2,0,0]=4 1214 B5R0.2 C=CCCCBr B107734 [1,1,0,0,0,0|1,0,1]=4 1215 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|0,1,1]=4 1216 B5R0.2 CC#CCCO P160656 [1,1,0,0,0,0|0,1,1]=4 1217 B5R0.2 CCC#CCBr B136107 [1,1,0,0,0,0|1,0,1]=4 1218 B5R0.2 CCC#CCC H157357 [1,1,0,0,0,0|1,0,1]=4 1219 B5R0.2 CCC#CCO P160655 [1,1,0,0,0,0|0,1,1]=4 1220 B5R0.2 CCC=CCC C153487 [1,1,0,0,0,0|1,0,1]=4 1221 B5R0.2 CCC=CCC H157267 [1,1,0,0,0,0|1,0,1]=4 1222 B5R0.2 CCC=CCC T162372 [1,1,0,0,0,0|1,0,1]=4 1223 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|0,1,1]=4 1224 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|0,1,1]=4 1225 B5R0.2 CCCC#CC H157356 [1,1,0,0,0,0|1,0,1]=4 1226 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|1,0,1]=4 1227 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|1,0,1]=4 1228 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|1,0,1]=4 1229 B5R0.2 CCCC=NO B152406 [1,1,0,0,0,0|0,1,1]=4 1230 B5R0.2 CCCCC#C H106703 [1,1,0,0,0,0|1,0,0]=3 1231 B5R0.2 CCCCC#N B100431 [1,1,0,0,0,0|1,0,0]=3 1232 B5R0.2 CCCCC#N B100432 [1,1,0,0,0,0|1,0,0]=3 1233 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|1,0,0]=3 1234 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|1,0,0]=3 1235 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|1,0,0]=3 1236 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|1,0,0]=3 1237 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|0,1,0]=3 1238 B5R0.2 CCCCCBr B104782 [1,1,0,0,0,0|1,0,0]=3 1239 B5R0.2 CCCCCBr B305762 [1,1,0,0,0,0|1,0,0]=3 1240 B5R0.2 CCCCCC H100107 [1,1,0,0,0,0|1,0,0]=3 1241 B5R0.2 CCCCCC H109653 [1,1,0,0,0,0|1,0,0]=3 1242 B5R0.2 CCCCCC H109654 [1,1,0,0,0,0|1,0,0]=3 1243 B5R0.2 CCCCCC H109656 [1,1,0,0,0,0|1,0,0]=3 1244 B5R0.2 CCCCCC H109659 [1,1,0,0,0,0|1,0,0]=3 1245 B5R0.2 CCCCCC H119662 [1,1,0,0,0,0|1,0,0]=3 1246 B5R0.2 CCCCCC H121283 [1,1,0,0,0,0|1,0,0]=3 1247 B5R0.2 CCCCCC H140380 [1,1,0,0,0,0|1,0,0]=3 1248 B5R0.2 CCCCCC H298923 [1,1,0,0,0,0|1,0,0]=3 1249 B5R0.2 CCCCCC N431441 [1,1,0,0,0,0|1,0,0]=3 1250 B5R0.2 CCCCCCl C109473 [1,1,0,0,0,0|1,0,0]=3 1251 B5R0.2 CCCCCCl C109474 [1,1,0,0,0,0|1,0,0]=3 1252 B5R0.2 CCCCCF F171115 [1,1,0,0,0,0|1,0,0]=3 1253 B5R0.2 CCCCCI I104798 [1,1,0,0,0,0|1,0,0]=3 1254 B5R0.2 CCCCCN A105343 [1,1,0,0,0,0|1,0,0]=3 1255 B5R0.2 CCCCCN P292685 [1,1,0,0,0,0|1,0,0]=3 1256 B5R0.2 CCCCCN P292697 [1,1,0,0,0,0|1,0,0]=3 1257 B5R0.2 CCCCCN P292701 [1,1,0,0,0,0|1,0,0]=3 1258 B5R0.2 CCCCCN P494144 [1,1,0,0,0,0|1,0,0]=3 1259 B5R0.2 CCCCCO N350217 [1,1,0,0,0,0|0,1,0]=3 1260 B5R0.2 CCCCCO P108125 [1,1,0,0,0,0|0,1,0]=3 1261 B5R0.2 CCCCCO P108126 [1,1,0,0,0,0|0,1,0]=3 1262 B5R0.2 CCCCCO P108127 [1,1,0,0,0,0|0,1,0]=3 1263 B5R0.2 CCCCCO P108128 [1,1,0,0,0,0|0,1,0]=3 1264 B5R0.2 CCCCCO P108129 [1,1,0,0,0,0|0,1,0]=3 1265 B5R0.2 CCCCCO P108130 [1,1,0,0,0,0|0,1,0]=3 1266 B5R0.2 CCCCCS A100028 [1,1,0,0,0,0|0,0,0]=2 1267 B5R0.2 CCCCOC B152821 [1,1,0,0,0,0|0,1,0]=3 1268 B5R0.2 CCCCON O184596 [1,1,0,0,0,0|0,1,0]=3 1269 B5R0.2 CCCCSC B152508 [1,1,0,0,0,0|0,0,0]=2 1270 B5R0.2 CCCC[Sn]Cl B302420 [1,1,0,0,0,0|1,0,0]=3 1271 B5R0.2 CCCN=C=S P140610 [1,1,0,0,0,0|0,0,2]=4 1272 B5R0.2 CCCNCC N159096 [1,1,0,0,0,0|1,0,0]=3 1273 B5R0.2 CCCOC=C P137362 [1,1,0,0,0,0|1,0,1]=4 1274 B5R0.2 CCCOC=O P160055 [1,1,0,0,0,0|0,1,1]=4 1275 B5R0.2 CCCOCC E156162 [1,1,0,0,0,0|1,0,0]=3 1276 B5R0.2 CCCSCC E134963 [1,1,0,0,0,0|1,0,0]=3 1277 B5R0.2 CCCSSC M103114 [1,1,0,0,0,0|1,0,0]=3 1278 B5R0.2 CCNCCN N138023 [1,1,0,0,0,0|1,0,0]=3 1279 B5R0.2 CCNCCO E156112 [1,1,0,0,0,0|0,1,0]=3 1280 B5R0.2 CCNCCO E301665 [1,1,0,0,0,0|0,1,0]=3 1281 B5R0.2 CCNNCC D487275 [1,1,0,0,0,0|2,0,0]=4 1282 B5R0.2 CCOCC=C A151091 [1,1,0,0,0,0|1,0,1]=4 1283 B5R0.2 CCOCCBr B152837 [1,1,0,0,0,0|1,0,0]=3 1284 B5R0.2 CCOCCCl C153264 [1,1,0,0,0,0|1,0,0]=3 1285 B5R0.2 CCOCCN E156296 [1,1,0,0,0,0|1,0,0]=3 1286 B5R0.2 CCOCCO E110821 [1,1,0,0,0,0|0,1,0]=3 1287 B5R0.2 CCOCCO E110822 [1,1,0,0,0,0|0,1,0]=3 1288 B5R0.2 CCOCCO E118463 [1,1,0,0,0,0|0,1,0]=3 1289 B5R0.2 CCSCCCl C102885 [1,1,0,0,0,0|1,0,0]=3 1290 B5R0.2 CCSCCN E170901 [1,1,0,0,0,0|1,0,0]=3 1291 B5R0.2 CCSCCN E300178 [1,1,0,0,0,0|1,0,0]=3 1292 B5R0.2 CCSCCO E156428 [1,1,0,0,0,0|0,1,0]=3 1293 B5R0.2 CCSSCC D140646 [1,1,0,0,0,0|2,0,0]=4 1294 B5R0.2 CC[Se][Se]CC D155798 [1,1,0,0,0,0|2,0,0]=4 1295 B5R0.2 CNCCC#N M104316 [1,1,0,0,0,0|1,0,1]=4 1296 B5R0.2 CNCCCN N104493 [1,1,0,0,0,0|1,0,0]=3 1297 B5R0.2 CNCCCO M133702 [1,1,0,0,0,0|0,1,0]=3 1298 B5R0.2 CNCCNC D106275 [1,1,0,0,0,0|2,0,0]=4 1299 B5R0.2 CNCCOC N159090 [1,1,0,0,0,0|1,1,0]=4 1300 B5R0.2 COCCC#N M158577 [1,1,0,0,0,0|1,0,1]=4 1301 B5R0.2 COCCCBr B136284 [1,1,0,0,0,0|1,0,0]=3 1302 B5R0.2 COCCCCl C108061 [1,1,0,0,0,0|1,0,0]=3 1303 B5R0.2 COCCCN M134485 [1,1,0,0,0,0|1,0,0]=3 1304 B5R0.2 COCCCN M587821 [1,1,0,0,0,0|1,0,0]=3 1305 B5R0.2 COCCCO M107732 [1,1,0,0,0,0|0,1,0]=3 1306 B5R0.2 COCCOC D299631 [1,1,0,0,0,0|1,1,0]=4 1307 B5R0.2 COCCOC E104387 [1,1,0,0,0,0|1,1,0]=4 1308 B5R0.2 COCCOC E104388 [1,1,0,0,0,0|1,1,0]=4 1309 B5R0.2 COCCOC E104391 [1,1,0,0,0,0|1,1,0]=4 1310 B5R0.2 COCCOC E119676 [1,1,0,0,0,0|1,1,0]=4 1311 B5R0.2 COCCOC I282413 [1,1,0,0,0,0|1,1,0]=4 1312 B5R0.2 COCCOC P107530 [1,1,0,0,0,0|1,1,0]=4 1313 B5R0.2 COCCOC P432396 [1,1,0,0,0,0|1,1,0]=4 1314 B5R0.2 COCCOC P432397 [1,1,0,0,0,0|1,1,0]=4 1315 B5R0.2 COCCOC P432398 [1,1,0,0,0,0|1,1,0]=4 1316 B5R0.2 CSCCC=O M109548 [1,1,0,0,0,0|0,1,1]=4 1317 B5R0.2 CSCCCN M158420 [1,1,0,0,0,0|1,0,0]=3 1318 B5R0.2 CSCCCO M102967 [1,1,0,0,0,0|0,1,0]=3 1319 B5R0.2 OCCCCO P487355 [1,1,0,0,0,0|0,1,0]=3 1320 B7R0.2 CC(C)CC(CO)N L117136 [0,2,0,0,0,0|1,1,0]=4 1321 B7R0.2 CC(C)CC(CO)N S133878 [0,2,0,0,0,0|1,1,0]=4 1322 B7R0.2 CC(CN(C)C)CCl D134652 [0,2,0,0,0,0|1,0,0]=3 1323 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|0,1,0]=3 1324 B7R0.2 CCC(C)CC(C)C D155187 [0,2,0,0,0,0|1,0,0]=3 1325 B7R0.2 CCC(C)CC(C)N D135535 [0,2,0,0,0,0|1,0,0]=3 1326 B7R0.2 CCC(C)OC(=O)C B108576 [0,2,0,0,0,0|0,1,1]=4 1327 B7R0.2 CCC(C)OC(=O)C B108578 [0,2,0,0,0,0|0,1,1]=4 1328 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,2,0,0,0,0|0,1,1]=4 1329 B7R0.2 CCC(CC(=O)O)N A191758 [0,2,0,0,0,0|1,1,0]=4 1330 B7R0.2 CCC(CC(=O)O)N I167296 [0,2,0,0,0,0|1,1,0]=4 1331 B7R0.2 CN(C)CC(CO)O D135042 [0,2,0,0,0,0|1,1,0]=4 1332 B7R0.3 C(CC(CO)O)CO P160114 [0,2,0,0,0,0|1,1,0]=4 1333 B7R0.3 CC(CCC#N)C#N M158303 [0,2,0,0,0,0|1,0,1]=4 1334 B7R0.3 CC(CCCN)CN M158599 [0,2,0,0,0,0|1,0,0]=3 1335 B7R0.3 CC(CO)OCC#C P579546 [0,2,0,0,0,0|0,1,1]=4 1336 B7R0.3 CCCCC(C)CC M113650 [0,2,0,0,0,0|1,0,0]=3 1337 B7R0.3 CCCCC(CC)Br B152441 [0,2,0,0,0,0|2,0,0]=4 1338 B7R0.3 CCCCC(CC)O H156872 [0,2,0,0,0,0|2,0,0]=4 1339 B7R0.3 CCCCC(CO)N R349958 [0,2,0,0,0,0|1,1,0]=4 1340 B7R0.3 CCCCC(CO)O H108067 [0,2,0,0,0,0|1,1,0]=4 1341 B7R0.3 CCCNC(C)CC N158968 [0,2,0,0,0,0|1,0,0]=3 1342 B7R0.3 CCOCC(CO)O E305267 [0,2,0,0,0,0|1,1,0]=4 1343 B7R0.3 CSCCC(CO)N D339853 [0,2,0,0,0,0|1,1,0]=4 1344 B7R0.3 CSCCC(CO)N M117138 [0,2,0,0,0,0|1,1,0]=4 1345 B7R0.3 CSCCC(CO)N S167794 [0,2,0,0,0,0|1,1,0]=4 1346 B7R0.5 CC(C)C(CCO)N A348373 [0,2,0,0,0,0|1,1,0]=4 1347 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|0,1,1]=4 1348 B7R0.5 CCCC(C)C(=O)O B300596 [0,2,0,0,0,0|0,1,1]=4 1349 B7R0.5 CCCC(C)C(=O)O M117868 [0,2,0,0,0,0|0,1,1]=4 1350 B7R0.5 CCCC(C)C(=O)O M427193 [0,2,0,0,0,0|0,1,1]=4 1351 B7R0.5 CCCC(C)C(C)C D155209 [0,2,0,0,0,0|1,0,0]=3 1352 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|1,0,1]=4 1353 B7R0.5 CCOC(C(F)F)O D154293 [0,2,0,0,0,0|2,0,0]=4 1354 B7R0.5 CCSC(C)C(=O)O E168418 [0,2,0,0,0,0|0,1,1]=4 1355 B7R0.7 CC(CCO)CCO M157872 [0,2,0,0,0,0|0,1,0]=3 1356 B7R0.7 CCCC(C)CCC M113651 [0,2,0,0,0,0|1,0,0]=3 1357 B7R0.7 CCCC(CCC)N H156930 [0,2,0,0,0,0|2,0,0]=4 1358 B7R0.7 CCCC(CCC)O H156873 [0,2,0,0,0,0|2,0,0]=4 1359 B7R0.7 CCCC(CCO)S M102905 [0,2,0,0,0,0|1,1,0]=4 1360 B7R0.7 CCCN(C)CCC I169711 [0,2,0,0,0,0|2,0,0]=4 1361 B7R0.7 CCOC(=O)CCS E119585 [0,2,0,0,0,0|1,0,1]=4 1362 B7R0.7 CCOC(=O)CSC E156475 [0,2,0,0,0,0|1,0,1]=4 1363 B7R0.7 CCOC(C)OCC A109196 [0,2,0,0,0,0|1,0,0]=3 1364 B7R0.7 CCOC(C)OCC A109197 [0,2,0,0,0,0|1,0,0]=3 1365 B7R0.7 CCO[Si](C)OCC D155451 [0,2,0,0,0,0|1,1,0]=4 1366 B7R0.7 CN(CCCl)CCCl M113888 [0,2,0,0,0,0|2,0,0]=4 1367 B7R0.7 CN(CCCl)CCCl M424747 [0,2,0,0,0,0|2,0,0]=4 1368 B7R0.7 CN(CCN)CCN D155080 [0,2,0,0,0,0|2,0,0]=4 1369 B7R0.7 CN(CCO)CCO M105602 [0,2,0,0,0,0|1,1,0]=4 1370 B7R0.7 CN(CCO)CCO M105603 [0,2,0,0,0,0|1,1,0]=4 1371 B7R0.7 COCC(COC)N D195061 [0,2,0,0,0,0|1,1,0]=4 1372 B7R0.7 COCC(COC)O D194254 [0,2,0,0,0,0|1,1,0]=4 1373 B7R0.10 C(C(C(CBr)Br)Br)Br M158077 [0,2,0,0,0,0|2,0,0]=4 1374 B7R0.10 C(C(C(CBr)O)O)Br W131889 [0,2,0,0,0,0|2,0,0]=4 1375 B7R0.10 C(C(C(CO)Br)Br)O W135330 [0,2,0,0,0,0|1,1,0]=4 1376 B7R0.10 C(C(C(CO)O)O)O E105712 [0,2,0,0,0,0|1,1,0]=4 1377 B7R0.10 C(C(C(CO)O)O)O M421753 [0,2,0,0,0,0|1,1,0]=4 1378 B7R0.10 C(C(C(CO)O)O)O S136137 [0,2,0,0,0,0|1,1,0]=4 1379 B7R0.10 C(C(C(CO)O)O)O S161038 [0,2,0,0,0,0|1,1,0]=4 1380 B7R0.10 C(C(C(CS)O)O)S D104859 [0,2,0,0,0,0|1,0,0]=3 1381 B7R0.10 C(C(C(CS)O)O)S D104860 [0,2,0,0,0,0|1,0,0]=3 1382 B7R0.10 C(C(C(CS)O)O)S D104861 [0,2,0,0,0,0|1,0,0]=3 1383 B7R0.10 C(C(C(CS)O)O)S D105710 [0,2,0,0,0,0|1,0,0]=3 1384 B7R0.10 C(C(C(CS)O)O)S D105711 [0,2,0,0,0,0|1,0,0]=3 1385 B7R0.10 C(C(C(CS)O)O)S D121076 [0,2,0,0,0,0|1,0,0]=3 1386 B7R0.10 C(C(C(CS)O)O)S D265376 [0,2,0,0,0,0|1,0,0]=3 1387 B7R0.10 C(C(C(CS)O)O)S D423542 [0,2,0,0,0,0|1,0,0]=3 1388 B7R0.10 CC(CBr)C(=O)OC M158847 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.10 CC(CBr)C(=O)OC M409449 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|0,1,1]=4 1391 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|0,1,1]=4 1392 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|0,1,1]=4 1393 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|2,0,0]=4 1394 B7R0.10 CCC(C(C)CO)S M404750 [0,2,0,0,0,0|0,1,0]=3 1395 B7R0.10 CCC(C)C(=O)OC M157989 [0,2,0,0,0,0|0,1,1]=4 1396 B7R0.10 CCC(C)C(CO)N I117134 [0,2,0,0,0,0|0,1,0]=3 1397 B7R0.10 COC(=O)C(CS)N C105474 [0,2,0,0,0,0|1,0,1]=4 1398 B7R0.10 COC(=O)C(CS)N S133993 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.11 CC(C)(CCO)OC M158753 [0,2,0,0,0,0|1,1,0]=4 1400 B7R0.11 CCC(C)(C)OCC T162410 [0,2,0,0,0,0|1,0,0]=3 1401 B7R0.11 CCCC(C)(C)C#N D154620 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.11 CCO[Si](C)(C)CCl C132122 [0,2,0,0,0,0|1,1,0]=4 1403 B7R0.12 CCN(CC)CC#C D121967 [0,2,0,0,0,0|2,0,0]=4 1404 B7R0.12 CCN(CC)CC#N D154666 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.12 CCN(CC)CCBr D154672 [0,2,0,0,0,0|2,0,0]=4 1406 B7R0.12 CCN(CC)CCN D105350 [0,2,0,0,0,0|2,0,0]=4 1407 B7R0.12 CCN(CC)CCN N404368 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.12 CCN(CC)CCO D105707 [0,2,0,0,0,0|1,1,0]=4 1409 B7R0.12 CCN(CC)CCO D131743 [0,2,0,0,0,0|1,1,0]=4 1410 B7R0.12 CNCC(OC)OC M102352 [0,2,0,0,0,0|2,0,0]=4 1411 B7R0.12 COC(CC#N)OC D154668 [0,2,0,0,0,0|2,0,0]=4 1412 B7R0.12 COC(CCBr)OC B153148 [0,2,0,0,0,0|2,0,0]=4 1413 B7R0.12 COC(CSC)OC M133839 [0,2,0,0,0,0|1,0,0]=3 1414 B7R0.12 COCC(OC)OC T162575 [0,2,0,0,0,0|1,1,0]=4 1415 B7R0.13 CC(C)(CO)N(C)C D155702 [0,2,0,0,0,0|1,1,0]=4 1416 B7R0.13 CC(C)C(C)(C#C)O D154148 [0,2,0,0,0,0|1,0,1]=4 1417 B7R0.13 CCC(C)(C(=O)O)N H353441 [0,2,0,0,0,0|0,1,1]=4 1418 B7R0.13 CCC(C)(C(=O)O)N I118303 [0,2,0,0,0,0|0,1,1]=4 1419 B7R0.13 CCC(C)(C(=O)O)O H133323 [0,2,0,0,0,0|0,1,1]=4 1420 B7R0.13 CCC(C)(C)C(=O)Cl D128094 [0,2,0,0,0,0|0,1,1]=4 1421 B7R0.13 CCC(C)(C)C(=O)O D102023 [0,2,0,0,0,0|0,1,1]=4 1422 B7R0.14 CC(C)(C)C(CO)N I132198 [0,2,0,0,0,0|1,1,0]=4 1423 B7R0.14 CC(C)(C)C(CO)N S160987 [0,2,0,0,0,0|1,1,0]=4 1424 B7R0.14 CC(CO)C(F)(F)F T193390 [0,2,0,0,0,0|1,1,0]=4 1425 B7R0.15 CC(C(OC)OC)Br B183758 [0,2,0,0,0,0|2,0,0]=4 1426 B7R0.15 CCC(CC)C(=O)Cl E469016 [0,2,0,0,0,0|0,1,1]=4 1427 B7R0.15 CCC(CC)C(=O)O E105668 [0,2,0,0,0,0|0,1,1]=4 1428 B7R0.15 CCC(CC)C(=O)O E105669 [0,2,0,0,0,0|0,1,1]=4 1429 B7R0.15 CCN(CC)C(=O)C I136012 [0,2,0,0,0,0|2,0,0]=4 1430 B7R0.15 CCN(CC)C(=S)S D155256 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.16 CC(C)C(C(C)C)O D154153 [0,2,0,0,0,0|2,0,0]=4 1432 B7R0.16 CC(C)C(C)C(C)C T161705 [0,2,0,0,0,0|1,0,0]=3 1433 B7R0.16 CC(C)N(C)C(C)C I165554 [0,2,0,0,0,0|2,0,0]=4 1434 B7R0.18 C(C(CO)(CO)N)O T105287 [0,2,0,0,0,0|1,1,0]=4 1435 B7R0.18 C(C(CO)(CO)N)O T105289 [0,2,0,0,0,0|1,1,0]=4 1436 B7R0.18 C(C(CO)(CO)N)O T105291 [0,2,0,0,0,0|1,1,0]=4 1437 B7R0.18 C(C(CO)(CO)N)O T110598 [0,2,0,0,0,0|1,1,0]=4 1438 B7R0.18 C(C(CO)(CO)N)O T110599 [0,2,0,0,0,0|1,1,0]=4 1439 B7R0.18 C(C(CO)(CO)N)O T110600 [0,2,0,0,0,0|1,1,0]=4 1440 B7R0.18 C(C(CO)(CO)N)O T110601 [0,2,0,0,0,0|1,1,0]=4 1441 B7R0.18 C(C(CO)(CO)N)O T110602 [0,2,0,0,0,0|1,1,0]=4 1442 B7R0.18 C(C(CO)(CO)N)O T113199 [0,2,0,0,0,0|1,1,0]=4 1443 B7R0.18 C(C(CO)(CO)N)O T274227 [0,2,0,0,0,0|1,1,0]=4 1444 B7R0.18 C(C(CO)(CO)N)O T274250 [0,2,0,0,0,0|1,1,0]=4 1445 B7R0.18 C(C(CO)(CO)N)O T330613 [0,2,0,0,0,0|1,1,0]=4 1446 B7R0.18 C(C(CO)(CO)N)O T420815 [0,2,0,0,0,0|1,1,0]=4 1447 B7R0.18 C(C(CO)(CO)N)O T425922 [0,2,0,0,0,0|1,1,0]=4 1448 B7R0.18 C(C(CO)(CO)N)O T431526 [0,2,0,0,0,0|1,1,0]=4 1449 B7R0.18 C(C(CO)(CO)N)O T434093 [0,2,0,0,0,0|1,1,0]=4 1450 B7R0.18 C(C(CO)(CO)N)O T434094 [0,2,0,0,0,0|1,1,0]=4 1451 B7R0.18 C(C(CO)(CO)N)O T434098 [0,2,0,0,0,0|1,1,0]=4 1452 B7R0.18 C(C(CO)(CO)N)O T472126 [0,2,0,0,0,0|1,1,0]=4 1453 B7R0.18 C(C(CO)(CO)N)O T476192 [0,2,0,0,0,0|1,1,0]=4 1454 B7R0.18 C(C(CO)(CO)N)O T591027 [0,2,0,0,0,0|1,1,0]=4 1455 B7R0.18 CC(CCl)(CCl)CCl D472197 [0,2,0,0,0,0|2,0,0]=4 1456 B7R0.18 CC(CO)(CO)CO T104516 [0,2,0,0,0,0|1,1,0]=4 1457 B7R0.18 CCC(C)(C#N)NC M589485 [0,2,0,0,0,0|1,0,1]=4 1458 B7R0.18 CCC(C)(CC)CC E156244 [0,2,0,0,0,0|1,0,0]=3 1459 B7R0.18 CCC(CC)(C#C)O E472552 [0,2,0,0,0,0|1,0,1]=4 1460 B7R0.18 CCC(CC)(CC)Br B194825 [0,2,0,0,0,0|1,0,0]=3 1461 B7R0.18 CCC(CO)(CO)N A151350 [0,2,0,0,0,0|0,1,0]=3 1462 B7R0.18 CCP(=O)(CC)CC T282155 [0,2,0,0,0,0|2,0,0]=4 1463 B7R0.18 CC[N+](C)(CC)CC T102674 [0,2,0,0,0,0|2,0,0]=4 1464 B7R0.18 CC[N+](C)(CC)CC T162207 [0,2,0,0,0,0|2,0,0]=4 1465 B7R0.18 CC[N+](C)(CC)CC T169178 [0,2,0,0,0,0|2,0,0]=4 1466 B7R0.18 CC[N+](C)(CC)CC T336968 [0,2,0,0,0,0|2,0,0]=4 1467 B7R0.18 CC[Si](C)(CC)C=C D168083 [0,2,0,0,0,0|1,1,0]=4 1468 B7R0.18 CC[Si](CC)(CC)Br B134789 [0,2,0,0,0,0|1,1,0]=4 1469 B7R0.18 CC[Si](CC)(CC)Cl C107619 [0,2,0,0,0,0|1,1,0]=4 1470 B7R0.18 CC[Si](CC)(CC)O T107269 [0,2,0,0,0,0|1,1,0]=4 1471 B5R1.2 C1C(CN1)F F134511 [1,0,0,1,0,0|2,0,0]=4 1472 B5R1.2 C1C(CN1)N A171689 [1,0,0,1,0,0|2,0,0]=4 1473 B5R1.2 C1C(CN1)O H102085 [1,0,0,1,0,0|1,1,0]=4 1474 B5R1.2 C1C(CO1)Br B170097 [1,0,0,1,0,0|1,1,0]=4 1475 B5R1.2 C1C(CO1)I I134383 [1,0,0,1,0,0|1,1,0]=4 1476 B5R1.2 C1C(CO1)N O135359 [1,0,0,1,0,0|1,1,0]=4 1477 B5R1.2 C1C(CO1)N O589249 [1,0,0,1,0,0|1,1,0]=4 1478 B5R1.2 C1C(CO1)O H123582 [1,0,0,1,0,0|1,1,0]=4 1479 B5R1.2 C1C(CS1)N T173228 [1,0,0,1,0,0|1,0,0]=3 1480 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|0,1,1]=4 1481 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|1,0,0]=3 1482 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|1,0,0]=3 1483 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|1,0,0]=3 1484 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|1,0,0]=3 1485 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|0,1,0]=3 1486 B5R1.2 C=C1CCC1 M332850 [1,0,0,1,0,0|0,0,2]=4 1487 B5R1.3 C#CC1CC1 C108075 [1,0,0,1,0,0|0,0,2]=4 1488 B5R1.3 C1C(O1)CCl E100521 [1,0,0,1,0,0|1,1,0]=4 1489 B5R1.3 C1C(O1)CCl E108181 [1,0,0,1,0,0|1,1,0]=4 1490 B5R1.3 C1C(O1)CCl E108182 [1,0,0,1,0,0|1,1,0]=4 1491 B5R1.3 C1C(O1)CCl E108184 [1,0,0,1,0,0|1,1,0]=4 1492 B5R1.3 C1C(O1)CCl E108185 [1,0,0,1,0,0|1,1,0]=4 1493 B5R1.3 C1C(O1)CCl E109298 [1,0,0,1,0,0|1,1,0]=4 1494 B5R1.3 C1C(O1)CCl E137334 [1,0,0,1,0,0|1,1,0]=4 1495 B5R1.3 C1C(O1)CCl E325686 [1,0,0,1,0,0|1,1,0]=4 1496 B5R1.3 C1C(O1)CCl E401255 [1,0,0,1,0,0|1,1,0]=4 1497 B5R1.3 C1C(O1)CF E352987 [1,0,0,1,0,0|1,1,0]=4 1498 B5R1.3 C1C(O1)CO G106989 [1,0,0,1,0,0|1,1,0]=4 1499 B5R1.3 C1C(O1)CO R119621 [1,0,0,1,0,0|1,1,0]=4 1500 B5R1.3 C1C(O1)CO S119620 [1,0,0,1,0,0|1,1,0]=4 1501 B5R1.3 C1CC1C#N C153826 [1,0,0,1,0,0|1,0,1]=4 1502 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|0,1,1]=4 1503 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|1,0,0]=3 1504 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|1,0,0]=3 1505 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|1,0,0]=3 1506 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|1,0,0]=3 1507 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|1,0,0]=3 1508 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|0,1,0]=3 1509 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|0,1,0]=3 1510 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|0,1,0]=3 1511 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|0,1,0]=3 1512 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|0,1,0]=3 1513 B5R1.3 CNC1CC1 N177134 [1,0,0,1,0,0|1,0,0]=3 1514 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|0,1,0]=3 1515 B5R1.5 CC1(CC1)N M178021 [1,0,0,1,0,0|1,0,0]=3 1516 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|0,1,0]=3 1517 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|0,0,0]=2 1518 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|1,0,1]=4 1519 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|1,0,1]=4 1520 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|1,0,1]=4 1521 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|1,0,0]=3 1522 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|1,0,0]=3 1523 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|1,0,0]=3 1524 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|1,0,0]=3 1525 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|1,0,0]=3 1526 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|1,0,0]=3 1527 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|1,0,0]=3 1528 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|1,0,0]=3 1529 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|1,0,0]=3 1530 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|1,0,0]=3 1531 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|0,1,0]=3 1532 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|0,1,0]=3 1533 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|0,1,0]=3 1534 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|0,1,0]=3 1535 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|0,1,0]=3 1536 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|0,1,0]=3 1537 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|0,1,0]=3 1538 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|0,1,0]=3 1539 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|0,1,0]=3 1540 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|0,1,0]=3 1541 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|0,1,0]=3 1542 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|0,1,0]=3 1543 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|0,1,0]=3 1544 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|0,1,0]=3 1545 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|0,1,0]=3 1546 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|0,1,0]=3 1547 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|0,0,0]=2 1548 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|1,0,0]=3 1549 B5R1.1 C1CNOC1 I157665 [1,0,0,1,0,0|1,1,0]=4 1550 B5R1.1 C1COCO1 D105894 [1,0,0,1,0,0|1,1,0]=4 1551 B5R1.1 C1COCO1 D105895 [1,0,0,1,0,0|1,1,0]=4 1552 B5R1.1 C1COCO1 D119723 [1,0,0,1,0,0|1,1,0]=4 1553 B5R1.1 C1CSCN1 T101324 [1,0,0,1,0,0|1,0,0]=3 1554 B7R1.1 C1C=CCC1CO C175895 [0,1,0,1,0,0|0,1,1]=4 1555 B7R1.1 C1CC(NC1)CN A121648 [0,1,0,1,0,0|1,0,0]=3 1556 B7R1.1 C1CC(NC1)CO P106015 [0,1,0,1,0,0|0,1,0]=3 1557 B7R1.1 C1CC(NC1)CO P117145 [0,1,0,1,0,0|0,1,0]=3 1558 B7R1.1 C1CC(NC1)CO P133858 [0,1,0,1,0,0|0,1,0]=3 1559 B7R1.1 C1CC(OC1)C=O T479472 [0,1,0,1,0,0|0,1,1]=4 1560 B7R1.1 C1CC(OC1)CBr T161718 [0,1,0,1,0,0|1,0,0]=3 1561 B7R1.1 C1CC(OC1)CCl T109587 [0,1,0,1,0,0|1,0,0]=3 1562 B7R1.1 C1CC(OC1)CN T111157 [0,1,0,1,0,0|1,0,0]=3 1563 B7R1.1 C1CC(OC1)CN T113724 [0,1,0,1,0,0|1,0,0]=3 1564 B7R1.1 C1CC(OC1)CN T119768 [0,1,0,1,0,0|1,0,0]=3 1565 B7R1.1 C1CC(OC1)CO T105718 [0,1,0,1,0,0|0,1,0]=3 1566 B7R1.1 C1CC(OC1)CO T105720 [0,1,0,1,0,0|0,1,0]=3 1567 B7R1.1 C1CCC(C1)C#N C124215 [0,1,0,1,0,0|1,0,1]=4 1568 B7R1.1 C1CCC(C1)C=O C122650 [0,1,0,1,0,0|0,1,1]=4 1569 B7R1.1 C1CCC(C1)CBr B184164 [0,1,0,1,0,0|1,0,0]=3 1570 B7R1.1 C1CCC(C1)CI I169233 [0,1,0,1,0,0|1,0,0]=3 1571 B7R1.1 C1CCC(C1)CN C176870 [0,1,0,1,0,0|1,0,0]=3 1572 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,1,0,0|0,1,0]=3 1573 B7R1.1 C1CCC(C1)NN C168940 [0,1,0,1,0,0|2,0,0]=4 1574 B7R1.1 C1CNCC1C#N P172391 [0,1,0,1,0,0|1,0,1]=4 1575 B7R1.1 C1CNCC1C#N R172183 [0,1,0,1,0,0|1,0,1]=4 1576 B7R1.1 C1CNCC1C#N S172182 [0,1,0,1,0,0|1,0,1]=4 1577 B7R1.1 C1COC(O1)CBr B153145 [0,1,0,1,0,0|2,0,0]=4 1578 B7R1.1 C1COC(O1)CCl C153298 [0,1,0,1,0,0|2,0,0]=4 1579 B7R1.1 C1COC(O1)CN A151048 [0,1,0,1,0,0|2,0,0]=4 1580 B7R1.1 C1COC(O1)CO D193991 [0,1,0,1,0,0|1,1,0]=4 1581 B7R1.1 C1COCC1C=O T304657 [0,1,0,1,0,0|0,1,1]=4 1582 B7R1.1 C1COCC1CBr B174868 [0,1,0,1,0,0|0,1,0]=3 1583 B7R1.1 C1COCC1CN A167762 [0,1,0,1,0,0|0,1,0]=3 1584 B7R1.1 C1COCC1CN A168112 [0,1,0,1,0,0|0,1,0]=3 1585 B7R1.1 C1COCC1CO T136105 [0,1,0,1,0,0|0,1,0]=3 1586 B7R1.1 CCC1CCCC1 E156243 [0,1,0,1,0,0|1,0,0]=3 1587 B7R1.1 CCN1CCCC1 E156259 [0,1,0,1,0,0|2,0,0]=4 1588 B7R1.1 CNC1CCNC1 M124586 [0,1,0,1,0,0|1,0,0]=3 1589 B7R1.1 COC1CCCC1 C102202 [0,1,0,1,0,0|1,0,0]=3 1590 B7R1.1 COC1CCCC1 C119688 [0,1,0,1,0,0|1,0,0]=3 1591 B7R1.1 COC1CCCC1 C298967 [0,1,0,1,0,0|1,0,0]=3 1592 B7R1.1 COC1CCNC1 R176558 [0,1,0,1,0,0|1,0,0]=3 1593 B7R1.1 COC1CCNC1 S177181 [0,1,0,1,0,0|1,0,0]=3 1594 B7R1.1 COC1CCNC1 S586566 [0,1,0,1,0,0|1,0,0]=3 1595 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [0,1,0,1,0,0|1,0,1]=4 1596 B7R1.2 C1CC(CC1N)O R173195 [0,1,0,1,0,0|1,1,0]=4 1597 B7R1.2 C1CC(CC1N)O S587381 [0,1,0,1,0,0|1,1,0]=4 1598 B7R1.2 C1CC(CC1N)O T172883 [0,1,0,1,0,0|1,1,0]=4 1599 B7R1.2 C1CC(CC1O)O C153245 [0,1,0,1,0,0|1,1,0]=4 1600 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|0,1,0]=3 1601 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,1,0,0|0,1,1]=4 1602 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|0,1,1]=4 1603 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,1,0,0|0,1,0]=3 1604 B7R1.2 CC1CCC(N1)C D169683 [0,1,0,1,0,0|1,0,0]=3 1605 B7R1.2 CC1CCC(O1)C D155243 [0,1,0,1,0,0|1,0,0]=3 1606 B7R1.2 CC1COC(O1)C D404099 [0,1,0,1,0,0|0,1,0]=3 1607 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,1,0,0|1,1,0]=4 1608 B7R1.2 CN1CCC(C1)N M173360 [0,1,0,1,0,0|2,0,0]=4 1609 B7R1.2 CN1CCC(C1)O M107932 [0,1,0,1,0,0|1,1,0]=4 1610 B7R1.2 CN1CCC(C1)O M119144 [0,1,0,1,0,0|1,1,0]=4 1611 B7R1.2 CN1CCC(C1)O M121670 [0,1,0,1,0,0|1,1,0]=4 1612 B7R1.3 C1C(COCO1)O G141045 [0,1,0,1,0,0|1,1,0]=4 1613 B7R1.3 C1CC(CNC1)F F166180 [0,1,0,1,0,0|2,0,0]=4 1614 B7R1.3 C1CC(CNC1)N A119349 [0,1,0,1,0,0|2,0,0]=4 1615 B7R1.3 C1CC(CNC1)N A121532 [0,1,0,1,0,0|2,0,0]=4 1616 B7R1.3 C1CC(CNC1)N A121533 [0,1,0,1,0,0|2,0,0]=4 1617 B7R1.3 C1CC(CNC1)N A151173 [0,1,0,1,0,0|2,0,0]=4 1618 B7R1.3 C1CC(CNC1)N R586890 [0,1,0,1,0,0|2,0,0]=4 1619 B7R1.3 C1CC(CNC1)O H119140 [0,1,0,1,0,0|2,0,0]=4 1620 B7R1.3 C1CC(CNC1)O H119141 [0,1,0,1,0,0|2,0,0]=4 1621 B7R1.3 C1CC(CNC1)O H123507 [0,1,0,1,0,0|2,0,0]=4 1622 B7R1.3 C1CC(CNC1)O H123509 [0,1,0,1,0,0|2,0,0]=4 1623 B7R1.3 C1CC(CNC1)O S588362 [0,1,0,1,0,0|2,0,0]=4 1624 B7R1.3 C1CC(COC1)N S172896 [0,1,0,1,0,0|1,1,0]=4 1625 B7R1.3 C1CC(COC1)O O175461 [0,1,0,1,0,0|1,1,0]=4 1626 B7R1.3 C1CCC(CC1)Br B109675 [0,1,0,1,0,0|2,0,0]=4 1627 B7R1.3 C1CCC(CC1)Cl C106088 [0,1,0,1,0,0|2,0,0]=4 1628 B7R1.3 C1CCC(CC1)F F156720 [0,1,0,1,0,0|2,0,0]=4 1629 B7R1.3 C1CCC(CC1)I I157579 [0,1,0,1,0,0|2,0,0]=4 1630 B7R1.3 C1CCC(CC1)N C103892 [0,1,0,1,0,0|2,0,0]=4 1631 B7R1.3 C1CCC(CC1)N C105033 [0,1,0,1,0,0|2,0,0]=4 1632 B7R1.3 C1CCC(CC1)N C105034 [0,1,0,1,0,0|2,0,0]=4 1633 B7R1.3 C1CCC(CC1)N C105035 [0,1,0,1,0,0|2,0,0]=4 1634 B7R1.3 C1CCC(CC1)N C105036 [0,1,0,1,0,0|2,0,0]=4 1635 B7R1.3 C1CCC(CC1)N C136515 [0,1,0,1,0,0|2,0,0]=4 1636 B7R1.3 C1CCC(CC1)N C405536 [0,1,0,1,0,0|2,0,0]=4 1637 B7R1.3 C1CCC(CC1)N C492170 [0,1,0,1,0,0|2,0,0]=4 1638 B7R1.3 C1CCC(CC1)N C492176 [0,1,0,1,0,0|2,0,0]=4 1639 B7R1.3 C1CCC(CC1)O C110399 [0,1,0,1,0,0|2,0,0]=4 1640 B7R1.3 C1CCC(CC1)O C110400 [0,1,0,1,0,0|2,0,0]=4 1641 B7R1.3 C1CCC(CC1)O C110401 [0,1,0,1,0,0|2,0,0]=4 1642 B7R1.3 C1CCC(CC1)O C121272 [0,1,0,1,0,0|2,0,0]=4 1643 B7R1.3 C1CCC(CC1)S C107602 [0,1,0,1,0,0|2,0,0]=4 1644 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,1,0,1,0,0|2,0,0]=4 1645 B7R1.3 C1CNCCC1Br B123508 [0,1,0,1,0,0|2,0,0]=4 1646 B7R1.3 C1CNCCC1Cl C153867 [0,1,0,1,0,0|2,0,0]=4 1647 B7R1.3 C1CNCCC1Cl C185077 [0,1,0,1,0,0|2,0,0]=4 1648 B7R1.3 C1CNCCC1F F171054 [0,1,0,1,0,0|2,0,0]=4 1649 B7R1.3 C1CNCCC1F F590177 [0,1,0,1,0,0|2,0,0]=4 1650 B7R1.3 C1CNCCC1N A103195 [0,1,0,1,0,0|2,0,0]=4 1651 B7R1.3 C1CNCCC1O H106359 [0,1,0,1,0,0|2,0,0]=4 1652 B7R1.3 C1CNCCC1O H138960 [0,1,0,1,0,0|2,0,0]=4 1653 B7R1.3 C1COCCC1Br B169075 [0,1,0,1,0,0|1,1,0]=4 1654 B7R1.3 C1COCCC1Cl C120070 [0,1,0,1,0,0|1,1,0]=4 1655 B7R1.3 C1COCCC1I I175912 [0,1,0,1,0,0|1,1,0]=4 1656 B7R1.3 C1COCCC1N A102316 [0,1,0,1,0,0|1,1,0]=4 1657 B7R1.3 C1COCCC1N O176150 [0,1,0,1,0,0|1,1,0]=4 1658 B7R1.3 C1COCCC1O T119338 [0,1,0,1,0,0|1,1,0]=4 1659 B7R1.3 C1CSCCC1=O T121984 [0,1,0,1,0,0|1,0,1]=4 1660 B7R1.3 C1CSCCC1N T588299 [0,1,0,1,0,0|1,0,0]=3 1661 B7R1.3 C1CSCCC1O T161724 [0,1,0,1,0,0|1,0,0]=3 1662 B7R1.3 CC1=CCCCC1 M158209 [0,1,0,1,0,0|1,0,1]=4 1663 B7R1.3 CC1=CCNCC1 M178460 [0,1,0,1,0,0|1,0,1]=4 1664 B7R1.3 CC1CCCC=C1 M158227 [0,1,0,1,0,0|1,0,1]=4 1665 B7R1.3 CC1CCCCC1 M103329 [0,1,0,1,0,0|1,0,0]=3 1666 B7R1.3 CC1CCCCC1 M103330 [0,1,0,1,0,0|1,0,0]=3 1667 B7R1.3 CC1CCCCC1 M103331 [0,1,0,1,0,0|1,0,0]=3 1668 B7R1.3 CC1CCCCC1 M118385 [0,1,0,1,0,0|1,0,0]=3 1669 B7R1.3 CC1CCCCC1 M119670 [0,1,0,1,0,0|1,0,0]=3 1670 B7R1.3 CC1CCCCN1 I169537 [0,1,0,1,0,0|1,0,0]=3 1671 B7R1.3 CC1CCCCN1 M106737 [0,1,0,1,0,0|1,0,0]=3 1672 B7R1.3 CC1CCCNC1 M158771 [0,1,0,1,0,0|1,0,0]=3 1673 B7R1.3 CC1CCCNC1 R588230 [0,1,0,1,0,0|1,0,0]=3 1674 B7R1.3 CC1CCCNC1 S191141 [0,1,0,1,0,0|1,0,0]=3 1675 B7R1.3 CC1CCNCC1 M158650 [0,1,0,1,0,0|1,0,0]=3 1676 B7R1.3 CC1CCOCO1 M158047 [0,1,0,1,0,0|0,1,0]=3 1677 B7R1.3 CC1CNCCN1 M103218 [0,1,0,1,0,0|1,0,0]=3 1678 B7R1.3 CC1CNCCN1 M120020 [0,1,0,1,0,0|1,0,0]=3 1679 B7R1.3 CC1CNCCN1 R160832 [0,1,0,1,0,0|1,0,0]=3 1680 B7R1.3 CC1CNCCO1 M588524 [0,1,0,1,0,0|1,0,0]=3 1681 B7R1.3 CC1CNCCO1 R174894 [0,1,0,1,0,0|1,0,0]=3 1682 B7R1.3 CC1CNCCO1 S172145 [0,1,0,1,0,0|1,0,0]=3 1683 B7R1.3 CC1COCCN1 M193354 [0,1,0,1,0,0|0,1,0]=3 1684 B7R1.3 CC1COCCN1 R160948 [0,1,0,1,0,0|0,1,0]=3 1685 B7R1.3 CC1COCCN1 R177343 [0,1,0,1,0,0|0,1,0]=3 1686 B7R1.3 CC1COCCN1 S176218 [0,1,0,1,0,0|0,1,0]=3 1687 B7R1.3 CC1COCCN1 S189368 [0,1,0,1,0,0|0,1,0]=3 1688 B7R1.3 CC1SCCCS1 M171134 [0,1,0,1,0,0|2,0,0]=4 1689 B7R1.3 CN1CCCCC1 M106736 [0,1,0,1,0,0|2,0,0]=4 1690 B7R1.3 CN1CCNCC1 M108683 [0,1,0,1,0,0|2,0,0]=4 1691 B7R1.3 CN1CCNCC1 M108684 [0,1,0,1,0,0|2,0,0]=4 1692 B7R1.3 CN1CCNCC1 M136564 [0,1,0,1,0,0|2,0,0]=4 1693 B7R1.3 CN1CCOCC1 M104641 [0,1,0,1,0,0|1,1,0]=4 1694 B7R1.3 CN1CCOCC1 M104642 [0,1,0,1,0,0|1,1,0]=4 1695 B7R1.3 CN1CCOCC1 M104643 [0,1,0,1,0,0|1,1,0]=4 1696 B7R1.3 CN1CCOCC1 M104644 [0,1,0,1,0,0|1,1,0]=4 1697 B7R1.3 CN1CCOCC1 M588891 [0,1,0,1,0,0|1,1,0]=4 1698 B7R1.3 C[Si]1CCCCO1 P107083 [0,1,0,1,0,0|1,1,0]=4 1699 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,1,0,1,0,0|1,0,1]=4 1700 B7R1.4 C1C(C(CN1)F)F C177782 [0,1,0,1,0,0|2,0,0]=4 1701 B7R1.4 C1C(C(CN1)O)O C175295 [0,1,0,1,0,0|1,1,0]=4 1702 B7R1.4 C1C(C(CN1)O)O P108071 [0,1,0,1,0,0|1,1,0]=4 1703 B7R1.4 C1C(C(CN1)O)O P108072 [0,1,0,1,0,0|1,1,0]=4 1704 B7R1.4 C1C(C(CN1)O)O P108073 [0,1,0,1,0,0|1,1,0]=4 1705 B7R1.4 C1C(C(CN1)O)O S178122 [0,1,0,1,0,0|1,1,0]=4 1706 B7R1.4 C1C(C(CO1)O)N A587267 [0,1,0,1,0,0|1,1,0]=4 1707 B7R1.4 C1C(C(CO1)O)O A151297 [0,1,0,1,0,0|1,1,0]=4 1708 B7R1.4 C1CC(C(C1)Br)Br T332825 [0,1,0,1,0,0|2,0,0]=4 1709 B7R1.4 C1CC(C(C1)N)N C588671 [0,1,0,1,0,0|2,0,0]=4 1710 B7R1.4 C1CC(C(C1)O)N A101741 [0,1,0,1,0,0|1,1,0]=4 1711 B7R1.4 C1CC(C(C1)O)N A101751 [0,1,0,1,0,0|1,1,0]=4 1712 B7R1.4 C1CC(C(C1)O)N A187867 [0,1,0,1,0,0|1,1,0]=4 1713 B7R1.4 C1CC(C(C1)O)N C348612 [0,1,0,1,0,0|1,1,0]=4 1714 B7R1.4 C1CC(C(C1)O)N I168764 [0,1,0,1,0,0|1,1,0]=4 1715 B7R1.4 C1CC(C(C1)O)N R465237 [0,1,0,1,0,0|1,1,0]=4 1716 B7R1.4 C1CC(C(C1)O)O I170645 [0,1,0,1,0,0|1,1,0]=4 1717 B7R1.4 C1CC(C(C1)O)O T471195 [0,1,0,1,0,0|1,1,0]=4 1718 B7R1.4 C1COC(C1Cl)Cl D155242 [0,1,0,1,0,0|1,1,0]=4 1719 B7R1.4 C1CSC(=O)C1N H108030 [0,1,0,1,0,0|1,0,1]=4 1720 B7R1.4 C1CSC(=O)C1N S169532 [0,1,0,1,0,0|1,0,1]=4 1721 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|0,1,1]=4 1722 B7R1.4 CC1C(=O)CCS1 M102985 [0,1,0,1,0,0|0,1,1]=4 1723 B7R1.4 CC1C(CCO1)S M102916 [0,1,0,1,0,0|0,0,0]=2 1724 B7R1.4 CC1CCCC1=O M138029 [0,1,0,1,0,0|0,1,1]=4 1725 B7R1.4 CC1CCCC1O B300625 [0,1,0,1,0,0|0,1,0]=3 1726 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|0,1,1]=4 1727 B7R1.6 C1C(CN1)CCO A174496 [0,1,0,1,0,0|1,0,0]=3 1728 B7R1.6 C1C(CO1)CCO O175897 [0,1,0,1,0,0|0,1,0]=3 1729 B7R1.6 C1CN(C1)CCO A194559 [0,1,0,1,0,0|1,1,0]=4 1730 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|0,1,1]=4 1731 B7R1.10 COC1CC(C1)N T173972 [0,1,0,1,0,0|2,0,0]=4 1732 B7R1.21 CC1(N=N1)CCO A355203 [0,1,0,1,0,0|2,0,0]=4 1733 B7R1.25 C1C(CO1)(CN)N A174452 [0,1,0,1,0,0|1,1,0]=4 1734 B7R1.25 C1C(CO1)(CO)N A166900 [0,1,0,1,0,0|1,1,0]=4 1735 B7R1.25 C1CC(C1)(CN)O A175135 [0,1,0,1,0,0|1,0,0]=3 1736 B7R1.25 C1CC(C1)(CO)N A173832 [0,1,0,1,0,0|0,1,0]=3 1737 B7R1.25 CC1(CNC1)C#N M178330 [0,1,0,1,0,0|1,0,1]=4 1738 B7R1.25 CC1(CNC1)OC M178126 [0,1,0,1,0,0|2,0,0]=4 1739 B7R1.25 CC1(COC1)CBr B177446 [0,1,0,1,0,0|1,0,0]=3 1740 B7R1.25 CC1(COC1)CCl C153820 [0,1,0,1,0,0|1,0,0]=3 1741 B7R1.25 CC1(COC1)CN M174504 [0,1,0,1,0,0|1,0,0]=3 1742 B7R1.25 CC1(COC1)CO M104534 [0,1,0,1,0,0|0,1,0]=3 1743 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|0,1,1]=4 1744 B7R1.18 C1CC(C1)C(=O)Cl C170618 [0,1,0,1,0,0|0,1,1]=4 1745 B7R1.18 C1CC(C1)C(=O)O C120879 [0,1,0,1,0,0|0,1,1]=4 1746 B7R1.18 CC(=O)C1CCC1 A151658 [0,1,0,1,0,0|0,1,1]=4 1747 B7R1.18 CN(C)C1CNC1 N172917 [0,1,0,1,0,0|2,0,0]=4 1748 B7R1.19 CC(=O)C1(CC1)C M342570 [0,1,0,1,0,0|0,1,1]=4 1749 B7R1.19 CC1(CC1)C(=O)O M158058 [0,1,0,1,0,0|0,1,1]=4 1750 B7R1.23 C1C(C1(F)F)CO D122937 [0,1,0,1,0,0|1,1,0]=4 1751 B7R1.14 C1CNCC1(F)F D578746 [0,1,0,1,0,0|2,0,0]=4 1752 B7R1.14 C1CNCC1(F)F W132499 [0,1,0,1,0,0|2,0,0]=4 1753 B7R1.14 CC1(CCCC1)N A468531 [0,1,0,1,0,0|1,0,0]=3 1754 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,1,0,0|1,0,0]=3 1755 B7R1.14 CC1(CCCN1)C D176967 [0,1,0,1,0,0|2,0,0]=4 1756 B7R1.14 CC1(CCNC1)C D177478 [0,1,0,1,0,0|1,0,0]=3 1757 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,1,0,0|1,0,0]=3 1758 B7R1.14 CC1(COCN1)C D136350 [0,1,0,1,0,0|1,1,0]=4 1759 B7R1.14 C[Si]1(CCCC1)C D189579 [0,1,0,1,0,0|1,1,0]=4 1760 B7R1.29 C1CC1(CBr)CBr B192563 [0,1,0,1,0,0|1,0,0]=3 1761 B7R1.29 C1CC1(CN)C#N A172531 [0,1,0,1,0,0|1,0,1]=4 1762 B7R1.29 C1CC1(CN)CO A483504 [0,1,0,1,0,0|0,1,0]=3 1763 B7R1.29 C1CC1(CO)C#N H196149 [0,1,0,1,0,0|0,1,1]=4 1764 B7R1.29 C1CC1(CO)CO B303643 [0,1,0,1,0,0|0,1,0]=3 1765 B7R2.13 C1C2C(O2)CO1 E103092 [0,0,0,2,0,0|1,1,0]=4 1766 B7R2.13 C1C2C(O2)CO1 E616368 [0,0,0,2,0,0|1,1,0]=4 1767 B7R2.13 C1C2C1CNC2 A177313 [0,0,0,2,0,0|1,0,0]=3 1768 B7R2.13 C1CC2C(C1)O2 C103079 [0,0,0,2,0,0|2,0,0]=4