0 B5R0.1 C=CCC(=O)O B152769 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C=CCC(=O)O B152771 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC#CC(C)C M157953 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(=C)CCO M158231 [0,0,0,0,0,0|0,0,4]=4 4 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|0,0,4]=4 10 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|0,0,4]=4 11 B5R0.1 CC(=O)CCO H106330 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.1 CC(=O)COC M158844 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CC(=O)NC=C N159504 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CC(=O)OC=C P101483 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CC(=O)OC=C P101485 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CC(=O)OC=C P101486 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(=O)OC=C P301634 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CC(=O)OC=C P304876 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CC(=O)OC=C P304877 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 CC(=O)OC=C P304879 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CC(=O)OC=C P304880 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 CC(=O)OC=C P304881 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CC(=O)OC=C P432376 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 CC(=O)OC=C P489072 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CC(=O)OC=C V104470 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 CC(=O)OC=C V104471 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CC(=O)OC=C V104472 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CC(C)CC#C M157952 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.1 CC(C)CC#N I137312 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|1,0,0]=1 31 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|0,0,0]=0 32 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|0,0,0]=0 33 B5R0.1 CC(C)CCBr I109279 [0,0,0,0,0,0|1,0,1]=2 34 B5R0.1 CC(C)CCCl C105682 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.1 CC(C)CCI I100674 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.1 CC(C)CCN I109581 [0,0,0,0,0,0|1,0,1]=2 37 B5R0.1 CC(C)CCN I404590 [0,0,0,0,0,0|1,0,1]=2 38 B5R0.1 CC(C)CCO M116196 [0,0,0,0,0,0|0,0,2]=2 39 B5R0.1 CC(C)CCO M116197 [0,0,0,0,0,0|0,0,2]=2 40 B5R0.1 CC(C)CCO M116198 [0,0,0,0,0,0|0,0,2]=2 41 B5R0.1 CC(C)CCO M116200 [0,0,0,0,0,0|0,0,2]=2 42 B5R0.1 CC(C)CCO M116201 [0,0,0,0,0,0|0,0,2]=2 43 B5R0.1 CC(C)CCO M119838 [0,0,0,0,0,0|0,0,2]=2 44 B5R0.1 CC(C)CCS M101609 [0,0,0,0,0,0|0,1,1]=2 45 B5R0.1 CC(C)CNN I588327 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.1 CC(C)C[Zn]Br I465880 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.1 CC(C)N=C=S I138525 [0,0,0,0,0,0|1,1,1]=3 48 B5R0.1 CC(C)OC=O I112304 [0,0,0,0,0,0|1,0,0]=1 49 B5R0.1 CC(C)OCCl C189120 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CC(C)SC#N I349763 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CC(CC#C)O P160660 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 CC(CCBr)Br D155315 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.1 CC(CCBr)O B589640 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CC(CCCl)Cl D155308 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.1 CC(CCO)N A123608 [0,0,0,0,0,0|1,0,2]=3 59 B5R0.1 CC(CCO)N A183438 [0,0,0,0,0,0|1,0,2]=3 60 B5R0.1 CC(CCO)N S176942 [0,0,0,0,0,0|1,0,2]=3 61 B5R0.1 CC(CCO)O B111016 [0,0,0,0,0,0|1,0,2]=3 62 B5R0.1 CC(CCO)O B111017 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.1 CC(CCO)O B111018 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.1 CC(CCO)O B119672 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.1 CC(CCO)O R160960 [0,0,0,0,0,0|1,0,2]=3 66 B5R0.1 CC(CCO)O S138551 [0,0,0,0,0,0|1,0,2]=3 67 B5R0.1 CC(CNC)O M587581 [0,0,0,0,0,0|3,0,0]=3 68 B5R0.1 CC(COC)N M169973 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.1 CC(COC)N S475332 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.1 CC(COC)N S586466 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.1 CC(COC)O M105264 [0,0,0,0,0,0|3,0,0]=3 72 B5R0.1 CC(COC)O M105265 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.1 CC(COC)O M105266 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.1 CC(COC)O M299436 [0,0,0,0,0,0|3,0,0]=3 75 B5R0.1 CC(COC)O R160841 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.1 CC(COC)O S161357 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 CC=CC(=O)C P139100 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|1,0,1]=2 80 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|1,0,3]=4 81 B5R0.1 CCCC(=C)C M158211 [0,0,0,0,0,0|1,0,3]=4 82 B5R0.1 CCCC(=O)C P103780 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CCCC(=O)C P103781 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CCCC(=O)C P103782 [0,0,0,0,0,0|2,0,2]=4 85 B5R0.1 CCCC(=O)C P103783 [0,0,0,0,0,0|2,0,2]=4 86 B5R0.1 CCCC(C)Br B400517 [0,0,0,0,0,0|2,0,1]=3 87 B5R0.1 CCCC(C)C I157548 [0,0,0,0,0,0|1,0,1]=2 88 B5R0.1 CCCC(C)C M105775 [0,0,0,0,0,0|1,0,1]=2 89 B5R0.1 CCCC(C)C M105776 [0,0,0,0,0,0|1,0,1]=2 90 B5R0.1 CCCC(C)C M105777 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.1 CCCC(C)C M105778 [0,0,0,0,0,0|1,0,1]=2 92 B5R0.1 CCCC(C)C M137744 [0,0,0,0,0,0|1,0,1]=2 93 B5R0.1 CCCC(C)Cl C467357 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.1 CCCC(C)N A151353 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.1 CCCC(C)O P103442 [0,0,0,0,0,0|2,0,1]=3 96 B5R0.1 CCCC(C)O P103443 [0,0,0,0,0,0|2,0,1]=3 97 B5R0.1 CCCC(C)O R138651 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.1 CCCC(C)O S138580 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.1 CCCN(C)C N404354 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.1 CCNC(C)C N159098 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|2,1,1]=4 102 B5R0.1 CN(C)CC#C N159655 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|2,0,0]=2 104 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|1,0,0]=1 105 B5R0.1 CN(C)CCBr B183437 [0,0,0,0,0,0|2,0,1]=3 106 B5R0.1 CN(C)CCN D105347 [0,0,0,0,0,0|2,0,1]=3 107 B5R0.1 CN(C)CCN N404297 [0,0,0,0,0,0|2,0,1]=3 108 B5R0.1 CN(C)CCN N404298 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.1 CN(C)CCO D109078 [0,0,0,0,0,0|1,0,2]=3 110 B5R0.1 CN(C)CCO D109079 [0,0,0,0,0,0|1,0,2]=3 111 B5R0.1 CN(C)CCO D109080 [0,0,0,0,0,0|1,0,2]=3 112 B5R0.1 CSCS(=O)C M158415 [0,0,0,0,0,0|4,0,0]=4 113 B4R0.1 B(=S(C)C)Cl C300429 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 C(=O)C(=O)O G108309 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 C(=O)C(=O)O G169372 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 C(C(Br)Br)Br T162280 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 C(C(Cl)Cl)Cl T110587 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.1 C(C(Cl)Cl)Cl T110588 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.1 C(C(Cl)Cl)Cl T110590 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.1 C(C(Cl)Cl)Cl T110591 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 C(C(Cl)Cl)O D472528 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 C(C(F)F)I I185481 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 C(C(F)F)N D155259 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 C(C(F)F)O D102785 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|0,0,2]=3 126 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|0,0,2]=3 127 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|1,0,2]=4 129 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|0,0,3]=4 131 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|1,0,1]=3 132 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|1,0,1]=3 133 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|1,0,2]=4 134 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.1 CC(C#C)Br B476941 [1,0,0,0,0,0|1,0,2]=4 141 B4R0.1 CC(C#C)N B589081 [1,0,0,0,0,0|1,0,2]=4 142 B4R0.1 CC(C#C)O B106248 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.1 CC(C#C)O B301756 [1,0,0,0,0,0|1,0,2]=4 144 B4R0.1 CC(C#C)O R160842 [1,0,0,0,0,0|1,0,2]=4 145 B4R0.1 CC(C#C)O S161362 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.1 CC(C#N)Br B168276 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 CC(C#N)Cl C122640 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 CC(C#N)N A186242 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|1,0,1]=3 150 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|0,0,0]=1 151 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|0,0,0]=1 152 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|0,0,0]=1 153 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|1,0,0]=2 154 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|1,0,0]=2 155 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|1,0,0]=2 156 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|1,0,0]=2 157 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|1,0,0]=2 159 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|1,0,0]=2 160 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|1,0,0]=2 161 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|1,0,0]=2 162 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|0,0,1]=2 163 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|0,0,1]=2 164 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|0,0,1]=2 165 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|0,0,1]=2 166 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|0,0,1]=2 167 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|0,0,1]=2 168 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|0,0,1]=2 169 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|0,0,1]=2 170 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|0,1,0]=2 171 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|1,0,1]=3 172 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|1,0,1]=3 176 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|2,0,0]=3 195 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,0,1]=3 197 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,0,1]=3 198 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,0,1]=3 199 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,0,1]=3 200 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|1,0,1]=3 201 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|1,0,1]=3 203 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|1,0,1]=3 204 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|1,1,0]=3 208 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|1,0,2]=4 211 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|1,0,1]=3 212 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|1,0,1]=3 213 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|1,0,1]=3 216 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|1,0,1]=3 217 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|1,0,1]=3 218 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|1,0,1]=3 220 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|1,0,1]=3 221 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|1,0,1]=3 222 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|1,0,1]=3 223 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|1,0,1]=3 224 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|1,0,1]=3 225 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|1,0,1]=3 226 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|2,0,1]=4 227 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|0,1,1]=3 228 B4R0.1 CN(C)C#N D154667 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|1,0,0]=2 233 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|1,0,0]=2 236 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|1,0,0]=2 237 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|1,0,0]=2 238 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|1,0,0]=2 239 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|1,0,0]=2 240 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|1,0,0]=2 241 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|1,0,0]=2 242 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|1,1,0]=3 243 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|2,0,0]=3 244 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|2,0,0]=3 245 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|2,0,0]=3 246 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|2,0,0]=3 247 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|1,1,0]=3 248 B4R0.2 C#CCCBr B151807 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.2 C#CCCN B195517 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.2 C#CCCO B106249 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.2 C(=O)[N-]C=O S160985 [1,0,0,0,0,0|2,0,1]=4 252 B4R0.2 C(C=CCl)Cl C470045 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.2 C(C=CCl)Cl D114577 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.2 C(C=CCl)Cl D115814 [1,0,0,0,0,0|2,0,1]=4 255 B4R0.2 C(C=CCl)Cl D119391 [1,0,0,0,0,0|2,0,1]=4 256 B4R0.2 C(C=CCl)Cl D128134 [1,0,0,0,0,0|2,0,1]=4 257 B4R0.2 C(C=CO)Cl R303195 [1,0,0,0,0,0|1,0,2]=4 258 B4R0.2 C(CBr)C#N B106916 [1,0,0,0,0,0|2,0,1]=4 259 B4R0.2 C(CBr)CBr D104777 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.2 C(CBr)CBr D104778 [1,0,0,0,0,0|2,0,1]=4 261 B4R0.2 C(CCl)C#N C141146 [1,0,0,0,0,0|2,0,1]=4 262 B4R0.2 C(CCl)C#N C298757 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.2 C(CCl)CBr B105780 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.2 C(CCl)CCl D109184 [1,0,0,0,0,0|2,0,1]=4 265 B4R0.2 C(CCl)CCl D109185 [1,0,0,0,0,0|2,0,1]=4 266 B4R0.2 C(CCl)CCl D113099 [1,0,0,0,0,0|2,0,1]=4 267 B4R0.2 C(CCl)CCl D128142 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.2 C(CCl)CCl D140761 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.2 C(CCl)CI C153543 [1,0,0,0,0,0|2,0,1]=4 270 B4R0.2 C(CF)CBr B303518 [1,0,0,0,0,0|2,0,1]=4 271 B4R0.2 C(CF)CI I184641 [1,0,0,0,0,0|2,0,1]=4 272 B4R0.2 C(CI)CI D139104 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.2 C(CN)C#N A107499 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.2 C(CN)CBr B106915 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.2 C(CN)CCl C102474 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.2 C(CN)CN B151838 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.2 C(CN)CN D154662 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.2 C(CN)CN D155613 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.2 C(CN)CN D155681 [1,0,0,0,0,0|2,0,1]=4 280 B4R0.2 C(CN)CN P103898 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.2 C(CN)CN P492915 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.2 C(CN)CN P494086 [1,0,0,0,0,0|2,0,1]=4 283 B4R0.2 C(CN)CO A106068 [1,0,0,0,0,0|1,0,2]=4 284 B4R0.2 C(CN)CO A106069 [1,0,0,0,0,0|1,0,2]=4 285 B4R0.2 C(CN)CO A151629 [1,0,0,0,0,0|1,0,2]=4 286 B4R0.2 C(CN)CO A299064 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.2 C(CN)CS A476835 [1,0,0,0,0,0|1,1,1]=4 288 B4R0.2 C(CO)C#N H109415 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|1,0,0]=2 290 B4R0.2 C(CO)CBr B108055 [1,0,0,0,0,0|1,0,2]=4 291 B4R0.2 C(CO)CBr B140136 [1,0,0,0,0,0|1,0,2]=4 292 B4R0.2 C(CO)CCl C109471 [1,0,0,0,0,0|1,0,2]=4 293 B4R0.2 C(CO)CF F404475 [1,0,0,0,0,0|1,0,2]=4 294 B4R0.2 C(CO)CI I139105 [1,0,0,0,0,0|1,0,2]=4 295 B4R0.2 C(CO)CO P108206 [1,0,0,0,0,0|1,0,2]=4 296 B4R0.2 C(CO)CO P108207 [1,0,0,0,0,0|1,0,2]=4 297 B4R0.2 C(CO)CO P108208 [1,0,0,0,0,0|1,0,2]=4 298 B4R0.2 C(CO)CO P432773 [1,0,0,0,0,0|1,0,2]=4 299 B4R0.2 C(CO)CS M158215 [1,0,0,0,0,0|1,0,2]=4 300 B4R0.2 C(CO)NN H113414 [1,0,0,0,0,0|3,0,0]=4 301 B4R0.2 C(CON)N A193083 [1,0,0,0,0,0|3,0,0]=4 302 B4R0.2 C(CS)C#N M302020 [1,0,0,0,0,0|2,0,1]=4 303 B4R0.2 C(CS)CS P100845 [1,0,0,0,0,0|1,1,1]=4 304 B4R0.2 C=CCC#N A124212 [1,0,0,0,0,0|2,0,1]=4 305 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|2,0,0]=3 306 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|2,0,0]=3 307 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|2,0,0]=3 308 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|2,0,0]=3 309 B4R0.2 C=CCON O159949 [1,0,0,0,0,0|3,0,0]=4 310 B4R0.2 C=CNC=O N159503 [1,0,0,0,0,0|1,0,2]=4 311 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|2,0,1]=4 312 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|2,0,1]=4 313 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|2,0,1]=4 314 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|1,0,2]=4 315 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|1,0,2]=4 316 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|0,0,0]=1 317 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|0,0,0]=1 318 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|0,0,0]=1 319 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|1,0,1]=3 320 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|1,0,1]=3 321 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|1,0,1]=3 322 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|1,0,1]=3 323 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|1,0,1]=3 324 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|1,0,1]=3 325 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|1,0,1]=3 327 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|1,0,1]=3 328 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|1,0,1]=3 329 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|1,0,1]=3 330 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|1,0,1]=3 331 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|1,0,1]=3 332 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|1,0,1]=3 333 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|1,0,1]=3 334 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|1,0,1]=3 335 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|1,0,1]=3 336 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|1,0,1]=3 337 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|1,0,1]=3 338 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|1,0,1]=3 339 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|1,0,1]=3 340 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|1,0,1]=3 341 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|0,0,2]=3 342 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|0,0,2]=3 343 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|0,0,2]=3 344 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|0,0,2]=3 345 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|0,0,2]=3 346 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|0,0,2]=3 347 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|0,0,2]=3 348 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|0,0,2]=3 349 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|0,0,2]=3 350 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|0,0,2]=3 351 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|0,0,2]=3 352 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|0,0,2]=3 353 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|0,0,2]=3 354 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|0,0,2]=3 355 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|0,1,1]=3 356 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|0,1,1]=3 357 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|1,0,1]=3 358 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|1,0,1]=3 359 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|0,0,2]=3 360 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|0,0,2]=3 361 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|0,0,2]=3 362 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|0,0,2]=3 363 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|0,0,2]=3 364 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|0,0,2]=3 365 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|2,0,0]=3 366 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|2,0,0]=3 367 B4R0.2 CCN=C=S E140613 [1,0,0,0,0,0|1,1,1]=4 368 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|1,0,0]=2 369 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|2,0,1]=4 376 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.2 CCOC#C E113364 [1,0,0,0,0,0|2,0,1]=4 378 B4R0.2 CCOC#C E579852 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|2,0,0]=3 380 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|1,0,0]=2 381 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|1,0,0]=2 382 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|1,0,0]=2 383 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|1,0,0]=2 384 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|1,0,0]=2 385 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|2,0,1]=4 387 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|2,0,1]=4 388 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|2,0,1]=4 389 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|2,0,1]=4 390 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|2,0,1]=4 391 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|2,0,1]=4 392 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|2,0,1]=4 393 B4R0.2 CCSC#N E156402 [1,0,0,0,0,0|2,0,1]=4 394 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|2,0,0]=3 395 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|2,0,1]=4 396 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|2,0,1]=4 397 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|2,0,1]=4 398 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|1,1,1]=4 399 B4R0.2 CNCC#C N467806 [1,0,0,0,0,0|2,0,1]=4 400 B4R0.2 CNCC#N M102241 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.2 CNCC#N M158300 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|2,0,0]=3 403 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|2,0,1]=4 405 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|2,0,1]=4 406 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|1,0,2]=4 407 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|1,0,2]=4 408 B4R0.2 COCC#C M157951 [1,0,0,0,0,0|2,0,1]=4 409 B4R0.2 COCC#N M158576 [1,0,0,0,0,0|2,0,1]=4 410 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|2,0,0]=3 411 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.2 COCCN M138018 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.2 COCCN M404735 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.2 COCCN M493557 [1,0,0,0,0,0|2,0,1]=4 416 B4R0.2 COCCO M102852 [1,0,0,0,0,0|1,0,2]=4 417 B4R0.2 COCCO M102853 [1,0,0,0,0,0|1,0,2]=4 418 B4R0.2 COCCO M102854 [1,0,0,0,0,0|1,0,2]=4 419 B4R0.2 COCCO M102855 [1,0,0,0,0,0|1,0,2]=4 420 B4R0.2 COCCO M102856 [1,0,0,0,0,0|1,0,2]=4 421 B4R0.2 COCCO M102857 [1,0,0,0,0,0|1,0,2]=4 422 B4R0.2 COCCO M102858 [1,0,0,0,0,0|1,0,2]=4 423 B4R0.2 COCCO M119725 [1,0,0,0,0,0|1,0,2]=4 424 B4R0.2 COCOC D101433 [1,0,0,0,0,0|3,0,0]=4 425 B4R0.2 COCOC D101436 [1,0,0,0,0,0|3,0,0]=4 426 B4R0.2 COCOC F431409 [1,0,0,0,0,0|3,0,0]=4 427 B4R0.2 CSCC#N M158307 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|2,0,0]=3 429 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|2,0,1]=4 431 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|2,0,1]=4 432 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|1,0,2]=4 433 B4R0.2 CSCSC B140648 [1,0,0,0,0,0|3,0,0]=4 434 B6R0.1 C(C#N)C(CCl)O C123021 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.1 C(C#N)C(CCl)O S190446 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.1 C(CO)C(CO)O B105549 [0,1,0,0,0,0|1,0,2]=4 437 B6R0.1 C(CO)C(CO)O B118474 [0,1,0,0,0,0|1,0,2]=4 438 B6R0.1 C(CO)C(CO)O R472595 [0,1,0,0,0,0|1,0,2]=4 439 B6R0.1 C(CO)C(CO)O S102777 [0,1,0,0,0,0|1,0,2]=4 440 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|0,0,0]=1 441 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|0,0,2]=3 442 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.1 CCC(C)N=C=S B140604 [0,1,0,0,0,0|1,1,1]=4 444 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|2,0,1]=4 445 B6R0.1 CCC(CC#C)O H157361 [0,1,0,0,0,0|2,0,1]=4 446 B6R0.1 CCC(CCN)N D155073 [0,1,0,0,0,0|2,0,1]=4 447 B6R0.1 CCC(COC)N A151357 [0,1,0,0,0,0|3,0,0]=4 448 B6R0.1 CCC(COC)O M158749 [0,1,0,0,0,0|3,0,0]=4 449 B6R0.1 CCCC(C)C=O M158691 [0,1,0,0,0,0|1,0,2]=4 450 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|1,0,1]=3 451 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|1,0,1]=3 452 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.1 CNCC(CO)O M157918 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.1 COC(=O)CC=C M341924 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.1 COCC(CCl)O C153895 [0,1,0,0,0,0|3,0,0]=4 461 B6R0.1 COCC(CN)O A479789 [0,1,0,0,0,0|3,0,0]=4 462 B6R0.1 COCC(CO)O M135227 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.2 B(CC(C)C)(O)O M120307 [0,1,0,0,0,0|1,0,1]=3 464 B6R0.2 B(CC(C)C)(O)O M299536 [0,1,0,0,0,0|1,0,1]=3 465 B6R0.2 C(C(=N)N)C(=O)N A136566 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.2 C(C(=O)N)C(=O)N M104019 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.2 C(C(=O)N)C(=O)O M168857 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.2 C(C(=O)O)C(=O)O M103513 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.2 C(C(=O)O)C(=O)O M103514 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.2 C(C(=O)O)C(=O)O M305754 [0,1,0,0,0,0|2,0,1]=4 472 B6R0.2 C(C(=O)O)C(=O)O M421547 [0,1,0,0,0,0|2,0,1]=4 473 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.2 CC(=C)OC(=O)C I108612 [0,1,0,0,0,0|1,0,2]=4 476 B6R0.2 CC(=CC(=O)C)C M105926 [0,1,0,0,0,0|0,0,2]=3 477 B6R0.2 CC(=CC(=O)C)C M105927 [0,1,0,0,0,0|0,0,2]=3 478 B6R0.2 CC(=CC(=O)C)C M105928 [0,1,0,0,0,0|0,0,2]=3 479 B6R0.2 CC(=CC(=O)C)N F156686 [0,1,0,0,0,0|1,0,2]=4 480 B6R0.2 CC(=CC(=O)C)O A118525 [0,1,0,0,0,0|1,0,2]=4 481 B6R0.2 CC(=CC(=O)C)O A118538 [0,1,0,0,0,0|1,0,2]=4 482 B6R0.2 CC(=CC(=O)C)O A579873 [0,1,0,0,0,0|1,0,2]=4 483 B6R0.2 CC(=CC(=O)C)O B152272 [0,1,0,0,0,0|1,0,2]=4 484 B6R0.2 CC(=CC(=O)C)O C109323 [0,1,0,0,0,0|1,0,2]=4 485 B6R0.2 CC(=CC(=O)C)O C140817 [0,1,0,0,0,0|1,0,2]=4 486 B6R0.2 CC(=CC(=O)C)O C283471 [0,1,0,0,0,0|1,0,2]=4 487 B6R0.2 CC(=CC(=O)C)O C486854 [0,1,0,0,0,0|1,0,2]=4 488 B6R0.2 CC(=CC(=O)C)O D302912 [0,1,0,0,0,0|1,0,2]=4 489 B6R0.2 CC(=CC(=O)C)O E302901 [0,1,0,0,0,0|1,0,2]=4 490 B6R0.2 CC(=CC(=O)C)O E347622 [0,1,0,0,0,0|1,0,2]=4 491 B6R0.2 CC(=CC(=O)C)O G304265 [0,1,0,0,0,0|1,0,2]=4 492 B6R0.2 CC(=CC(=O)C)O H107857 [0,1,0,0,0,0|1,0,2]=4 493 B6R0.2 CC(=CC(=O)C)O I138305 [0,1,0,0,0,0|1,0,2]=4 494 B6R0.2 CC(=CC(=O)C)O I294571 [0,1,0,0,0,0|1,0,2]=4 495 B6R0.2 CC(=CC(=O)C)O M106182 [0,1,0,0,0,0|1,0,2]=4 496 B6R0.2 CC(=CC(=O)C)O P101065 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.2 CC(=CC(=O)C)O P119025 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.2 CC(=CC(=O)C)O P119026 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.2 CC(=CC(=O)C)O P293928 [0,1,0,0,0,0|1,0,2]=4 500 B6R0.2 CC(=CC(=O)C)O R118502 [0,1,0,0,0,0|1,0,2]=4 501 B6R0.2 CC(=CC(=O)C)O R118539 [0,1,0,0,0,0|1,0,2]=4 502 B6R0.2 CC(=CC(=O)C)O R118540 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.2 CC(=CC(=O)C)O R294372 [0,1,0,0,0,0|1,0,2]=4 504 B6R0.2 CC(=CC(=O)C)O R639975 [0,1,0,0,0,0|1,0,2]=4 505 B6R0.2 CC(=CC(=O)C)O S298504 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.2 CC(=CC(=O)C)O T283063 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.2 CC(=CC(=O)C)O T302818 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.2 CC(=CC(=O)C)O T302908 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.2 CC(=CC(=O)C)O V109324 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.2 CC(=CC(=O)C)O V109325 [0,1,0,0,0,0|1,0,2]=4 511 B6R0.2 CC(=CC(=O)C)O Y191992 [0,1,0,0,0,0|1,0,2]=4 512 B6R0.2 CC(=CC(=O)C)O Y283039 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,1,0,0,0,0|1,0,2]=4 514 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,1,0,0,0,0|1,0,2]=4 515 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,1,0,0,0,0|1,0,2]=4 516 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,1,0,0,0,0|1,0,2]=4 517 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,1,0,0,0,0|1,0,2]=4 518 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,1,0,0,0,0|1,0,2]=4 519 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,1,0,0,0,0|1,0,2]=4 520 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,1,0,0,0,0|1,0,2]=4 521 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,1,0,0,0,0|1,0,2]=4 522 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,1,0,0,0,0|1,0,2]=4 523 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,1,0,0,0,0|1,0,2]=4 524 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,1,0,0,0,0|1,0,2]=4 525 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,1,0,0,0,0|1,0,2]=4 526 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,1,0,0,0,0|1,0,2]=4 527 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,1,0,0,0,0|1,0,2]=4 528 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,1,0,0,0,0|1,0,2]=4 529 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,1,0,0,0,0|1,0,2]=4 530 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,1,0,0,0,0|1,0,2]=4 531 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,1,0,0,0,0|1,0,2]=4 532 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,1,0,0,0,0|0,0,2]=3 533 B6R0.2 CC(=CC(=O)O)C D102028 [0,1,0,0,0,0|0,0,2]=3 534 B6R0.2 CC(=O)CC(=O)C A110366 [0,1,0,0,0,0|1,0,1]=3 535 B6R0.2 CC(=O)CC(=O)C A110367 [0,1,0,0,0,0|1,0,1]=3 536 B6R0.2 CC(=O)CC(=O)C A110370 [0,1,0,0,0,0|1,0,1]=3 537 B6R0.2 CC(=O)CC(=O)N A194123 [0,1,0,0,0,0|1,0,1]=3 538 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,1,0,0,0,0|1,0,1]=3 539 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,1,0,0,0,0|1,0,1]=3 540 B6R0.2 CC(=O)CN(C)C D167514 [0,1,0,0,0,0|1,0,0]=2 541 B6R0.2 CC(=O)NC(=O)N A114125 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.2 CC(=O)OC(=O)C A302240 [0,1,0,0,0,0|2,0,1]=4 543 B6R0.2 CC(=O)OC(=O)C A474130 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.2 CC(=O)SC(=O)C A151355 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,1,0,0,0,0|1,0,2]=4 546 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,1,0,0,0,0|1,0,2]=4 547 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,1,0,0,0,0|1,0,2]=4 548 B6R0.2 CC(C)C=C(C)C D155423 [0,1,0,0,0,0|1,0,1]=3 549 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|0,0,0]=1 550 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|0,0,0]=1 551 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|0,0,0]=1 552 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|0,0,0]=1 553 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|0,0,0]=1 554 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|0,0,0]=1 555 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,0,0,0,0|0,0,0]=1 556 B6R0.2 CC(C)CC(=O)O I108280 [0,1,0,0,0,0|0,0,0]=1 557 B6R0.2 CC(C)CC(=O)O I108281 [0,1,0,0,0,0|0,0,0]=1 558 B6R0.2 CC(C)CC(=O)O I424338 [0,1,0,0,0,0|0,0,0]=1 559 B6R0.2 CC(C)CC(=O)O I432771 [0,1,0,0,0,0|0,0,0]=1 560 B6R0.2 CC(C)CC(C)C D155236 [0,1,0,0,0,0|1,0,1]=3 561 B6R0.2 CC(C)CC(C)N D154510 [0,1,0,0,0,0|1,0,1]=3 562 B6R0.2 CC(C)CC(C)O M104491 [0,1,0,0,0,0|0,0,2]=3 563 B6R0.2 CC(C)NC(=O)C N586389 [0,1,0,0,0,0|1,0,0]=2 564 B6R0.2 CC(C)NC(C)C D108297 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.2 CC(C)NC(C)C D108298 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.2 CC(C)NC(C)C D108299 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.2 CC(C)NC(C)C D108300 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.2 CC(C)NC(C)C D108301 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.2 CC(C)NC(C)C D135665 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.2 CC(C)NC(C)C D154669 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.2 CC(C)NC(C)C D399268 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.2 CC(C)NC(C)C D404340 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.2 CC(C)NC(C)C D494183 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.2 CC(C)OC(=O)C I103453 [0,1,0,0,0,0|1,0,0]=2 575 B6R0.2 CC(C)OC(=O)C I103454 [0,1,0,0,0,0|1,0,0]=2 576 B6R0.2 CC(C)OC(=O)C I103455 [0,1,0,0,0,0|1,0,0]=2 577 B6R0.2 CC(C)OC(=O)N I157610 [0,1,0,0,0,0|1,0,0]=2 578 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,1,0,0,0,0|1,1,0]=3 579 B6R0.2 CC(C)OC(C)C I110454 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.2 CC(C)OC(C)C I110455 [0,1,0,0,0,0|2,0,1]=4 581 B6R0.2 CC(C)OC(C)C I110457 [0,1,0,0,0,0|2,0,1]=4 582 B6R0.2 CC(C)OC(C)C I110458 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.2 CC(C)OC(C)C I119694 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [0,1,0,0,0,0|2,0,0]=3 585 B6R0.2 CC(C)SC(C)C I157604 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.2 CC(CC(=O)O)Br B169132 [0,1,0,0,0,0|1,0,0]=2 587 B6R0.2 CC(CC(=O)O)Cl C153466 [0,1,0,0,0,0|1,0,0]=2 588 B6R0.2 CC(CC(=O)O)N A100948 [0,1,0,0,0,0|1,0,0]=2 589 B6R0.2 CC(CC(=O)O)N H117041 [0,1,0,0,0,0|1,0,0]=2 590 B6R0.2 CC(CC(=O)O)N R184127 [0,1,0,0,0,0|1,0,0]=2 591 B6R0.2 CC(CC(=O)O)N S193074 [0,1,0,0,0,0|1,0,0]=2 592 B6R0.2 CC(CC(=O)O)O P347707 [0,1,0,0,0,0|1,0,0]=2 593 B6R0.2 CC(CC(=O)O)O R304188 [0,1,0,0,0,0|1,0,0]=2 594 B6R0.2 CC(CC(=O)O)O R425172 [0,1,0,0,0,0|1,0,0]=2 595 B6R0.2 CC(CC(=O)O)O S161108 [0,1,0,0,0,0|1,0,0]=2 596 B6R0.2 CC(CC(=O)O)O S194215 [0,1,0,0,0,0|1,0,0]=2 597 B6R0.2 CC(CC(=O)[O-])O B301134 [0,1,0,0,0,0|1,0,0]=2 598 B6R0.2 CC(CC(=O)[O-])O H121822 [0,1,0,0,0,0|1,0,0]=2 599 B6R0.2 CC(CC(=O)[O-])O X131756 [0,1,0,0,0,0|1,0,0]=2 600 B6R0.2 CC(CC(C)Br)Br D155303 [0,1,0,0,0,0|2,0,1]=4 601 B6R0.2 CC(CC(C)O)O R160958 [0,1,0,0,0,0|1,0,2]=4 602 B6R0.2 CC(CC(C)O)O S161001 [0,1,0,0,0,0|1,0,2]=4 603 B6R0.2 CC(CN(C)C)Cl C153815 [0,1,0,0,0,0|2,0,1]=4 604 B6R0.2 CC(CN(C)C)O B282542 [0,1,0,0,0,0|1,0,2]=4 605 B6R0.2 CC(CN(C)C)O D155704 [0,1,0,0,0,0|1,0,2]=4 606 B6R0.2 CC(OC(=O)C)Br B303662 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.2 CN(C)CC(=O)O D115675 [0,1,0,0,0,0|1,0,0]=2 609 B6R0.2 CN(C)CC(=O)O N159831 [0,1,0,0,0,0|1,0,0]=2 610 B6R0.2 CN(C)CC(=O)O N420632 [0,1,0,0,0,0|1,0,0]=2 611 B6R0.2 CN(C)CN(C)C N159372 [0,1,0,0,0,0|3,0,0]=4 612 B6R0.3 CC(C(CO)N)O S134976 [0,1,0,0,0,0|1,0,2]=4 613 B6R0.3 CC(C(CO)N)O T117147 [0,1,0,0,0,0|1,0,2]=4 614 B6R0.3 CC(C(CO)O)O B152043 [0,1,0,0,0,0|1,0,2]=4 615 B6R0.3 CC(C)C(=O)OC M100041 [0,1,0,0,0,0|2,0,1]=4 616 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|0,0,2]=3 617 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|0,0,2]=3 618 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|0,0,2]=3 619 B6R0.3 CC=C(C)C(C)C C153480 [0,1,0,0,0,0|1,0,1]=3 620 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|1,0,2]=4 621 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|1,0,1]=3 622 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|1,0,1]=3 623 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|1,0,1]=3 624 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.4 C(C(=O)O)NC=O N159822 [0,1,0,0,0,0|2,0,1]=4 626 B6R0.4 CC(=CCCBr)C B470663 [0,1,0,0,0,0|1,0,2]=4 627 B6R0.4 CC(=O)CCC=C H113634 [0,1,0,0,0,0|2,0,1]=4 628 B6R0.4 CC(=O)OCC=C A107305 [0,1,0,0,0,0|2,0,1]=4 629 B6R0.4 CC(C)CCC#N I157667 [0,1,0,0,0,0|1,0,1]=3 630 B6R0.4 CC(C)CCC=O M586390 [0,1,0,0,0,0|0,0,0]=1 631 B6R0.4 CC(C)CCCBr B152440 [0,1,0,0,0,0|1,0,1]=3 632 B6R0.4 CC(C)CCCO I136441 [0,1,0,0,0,0|0,0,2]=3 633 B6R0.4 CC(C)CN=C=S I140612 [0,1,0,0,0,0|0,1,1]=3 634 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|1,0,0]=2 635 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|1,0,0]=2 636 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|0,0,0]=1 637 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|0,0,0]=1 638 B6R0.4 CC(C)CON=O I157486 [0,1,0,0,0,0|1,0,0]=2 639 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|1,0,0]=2 640 B6R0.4 CC(C)NCCN N159348 [0,1,0,0,0,0|1,0,1]=3 641 B6R0.4 CC(C)NCCO I157482 [0,1,0,0,0,0|0,0,2]=3 642 B6R0.4 CC(C)NCCO I431393 [0,1,0,0,0,0|0,0,2]=3 643 B6R0.4 CC(C)OCCO I106814 [0,1,0,0,0,0|0,0,2]=3 644 B6R0.4 CC(CCCBr)Br D155307 [0,1,0,0,0,0|2,0,1]=4 645 B6R0.4 CC(CCCO)O P171240 [0,1,0,0,0,0|1,0,2]=4 646 B6R0.4 CCCCC(C)C M158516 [0,1,0,0,0,0|1,0,1]=3 647 B6R0.4 CCCCC(C)Cl C153661 [0,1,0,0,0,0|2,0,1]=4 648 B6R0.4 CCCCC(C)N B301374 [0,1,0,0,0,0|2,0,1]=4 649 B6R0.4 CCCCC(C)O H105565 [0,1,0,0,0,0|2,0,1]=4 650 B6R0.4 CCCCC(C)O I170762 [0,1,0,0,0,0|2,0,1]=4 651 B6R0.4 CCCCC(C)O R588494 [0,1,0,0,0,0|2,0,1]=4 652 B6R0.4 CCCCN(C)C D108036 [0,1,0,0,0,0|2,0,1]=4 653 B6R0.4 CCCSC(C)C I157608 [0,1,0,0,0,0|1,0,1]=3 654 B6R0.4 CCOCC(C)O E110143 [0,1,0,0,0,0|2,0,1]=4 655 B6R0.4 CN(C)C=CC#N D155421 [0,1,0,0,0,0|2,0,1]=4 656 B6R0.4 CN(C)C=CC#N I169860 [0,1,0,0,0,0|2,0,1]=4 657 B6R0.4 CN(C)C=CC=O D139445 [0,1,0,0,0,0|1,0,1]=3 658 B6R0.4 CN(C)CCC#N D135309 [0,1,0,0,0,0|2,0,1]=4 659 B6R0.4 CN(C)CCCBr B194072 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.4 CN(C)CCCCl C353600 [0,1,0,0,0,0|2,0,1]=4 661 B6R0.4 CN(C)CCCCl D154697 [0,1,0,0,0,0|2,0,1]=4 662 B6R0.4 CN(C)CCCN D110909 [0,1,0,0,0,0|2,0,1]=4 663 B6R0.4 CN(C)CCCN N493682 [0,1,0,0,0,0|2,0,1]=4 664 B6R0.4 CN(C)CCCN N494190 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.4 CN(C)CCCO D106344 [0,1,0,0,0,0|1,0,2]=4 666 B6R0.4 CNCCN(C)C N159374 [0,1,0,0,0,0|2,0,1]=4 667 B6R0.4 CNCCN(C)C N192745 [0,1,0,0,0,0|2,0,1]=4 668 B6R0.5 CC(C)(C)CC=O D133103 [0,1,0,0,0,0|0,0,0]=1 669 B6R0.5 CC(C)(C)CCBr B405387 [0,1,0,0,0,0|1,0,1]=3 670 B6R0.5 CC(C)(C)CCN D468789 [0,1,0,0,0,0|1,0,1]=3 671 B6R0.5 CC(C)(C)CCO D139098 [0,1,0,0,0,0|0,0,2]=3 672 B6R0.5 CC(C)(C)N=C=S B101363 [0,1,0,0,0,0|1,1,1]=4 673 B6R0.5 CC(C)(C)NC=O N159292 [0,1,0,0,0,0|1,0,0]=2 674 B6R0.5 CC(C)(C)OC=C T139444 [0,1,0,0,0,0|2,0,0]=3 675 B6R0.5 CC(C)(C)OC=O T341498 [0,1,0,0,0,0|1,0,0]=2 676 B6R0.5 CC(C)(C)ON=O B106794 [0,1,0,0,0,0|2,0,0]=3 677 B6R0.5 CC(C)(CC#N)O H167089 [0,1,0,0,0,0|1,0,1]=3 678 B6R0.5 CC(C)(CCN)O A483316 [0,1,0,0,0,0|1,0,1]=3 679 B6R0.5 CC(C)(CCO)O M106425 [0,1,0,0,0,0|0,0,2]=3 680 B6R0.5 CC(C)(CCO)S M138699 [0,1,0,0,0,0|0,0,2]=3 681 B6R0.5 CC(C)(CSC)N M588894 [0,1,0,0,0,0|2,0,0]=3 682 B6R0.5 CCCC(C)(C)C D106287 [0,1,0,0,0,0|1,0,1]=3 683 B6R0.5 CCC[N+](C)(C)C T162053 [0,1,0,0,0,0|2,0,1]=4 684 B6R0.5 CCC[Si](C)(C)Cl C153294 [0,1,0,0,0,0|1,1,1]=4 685 B6R0.5 CCOC(C)(C)C B108911 [0,1,0,0,0,0|2,0,1]=4 686 B6R0.5 CCOC(C)(C)C B108912 [0,1,0,0,0,0|2,0,1]=4 687 B6R0.5 COC[Si](C)(C)C M157801 [0,1,0,0,0,0|2,1,0]=4 688 B6R0.5 CS(=O)(=O)CC=C A468089 [0,1,0,0,0,0|3,0,0]=4 689 B6R0.5 C[N+](C)(C)CC#N C340935 [0,1,0,0,0,0|2,0,1]=4 690 B6R0.5 C[N+](C)(C)CC=C A191081 [0,1,0,0,0,0|2,0,0]=3 691 B6R0.5 C[N+](C)(C)CCBr B108989 [0,1,0,0,0,0|2,0,1]=4 692 B6R0.5 C[N+](C)(C)CCCl C113520 [0,1,0,0,0,0|2,0,1]=4 693 B6R0.5 C[N+](C)(C)CCCl C114434 [0,1,0,0,0,0|2,0,1]=4 694 B6R0.5 C[N+](C)(C)CCCl C114435 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.5 C[N+](C)(C)CCN A339683 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.5 C[N+](C)(C)CCO C108896 [0,1,0,0,0,0|1,0,2]=4 697 B6R0.5 C[N+](C)(C)CCO C108897 [0,1,0,0,0,0|1,0,2]=4 698 B6R0.5 C[N+](C)(C)CCO C108898 [0,1,0,0,0,0|1,0,2]=4 699 B6R0.5 C[N+](C)(C)CCO C153893 [0,1,0,0,0,0|1,0,2]=4 700 B6R0.5 C[N+](C)(C)CCO C166651 [0,1,0,0,0,0|1,0,2]=4 701 B6R0.5 C[N+](C)(C)CCO C333456 [0,1,0,0,0,0|1,0,2]=4 702 B6R0.5 C[N+](C)(C)CCO C425396 [0,1,0,0,0,0|1,0,2]=4 703 B6R0.5 C[N+](C)(C)CCO C471988 [0,1,0,0,0,0|1,0,2]=4 704 B6R0.5 C[N+](C)(C)CCO C472029 [0,1,0,0,0,0|1,0,2]=4 705 B6R0.5 C[Si](C)(C)C=CBr B170236 [0,1,0,0,0,0|1,1,1]=4 706 B6R0.5 C[Si](C)(C)C=CBr B493164 [0,1,0,0,0,0|1,1,1]=4 707 B6R0.5 C[Si](C)(C)CC#C T339136 [0,1,0,0,0,0|1,1,1]=4 708 B6R0.5 C[Si](C)(C)CC#N T305246 [0,1,0,0,0,0|1,1,1]=4 709 B6R0.5 C[Si](C)(C)CC=C A107288 [0,1,0,0,0,0|1,1,0]=3 710 B6R0.5 C[Si](C)(C)CCBr B135566 [0,1,0,0,0,0|1,1,1]=4 711 B6R0.5 C[Si](C)(C)CCO T111253 [0,1,0,0,0,0|0,1,2]=4 712 B6R0.5 C[Si](C)(C)N=C=O T162529 [0,1,0,0,0,0|1,1,1]=4 713 B6R0.5 C[Si](C)(C)N=C=O T466834 [0,1,0,0,0,0|1,1,1]=4 714 B6R0.5 C[Si](C)(C)OC=C T161744 [0,1,0,0,0,0|2,1,0]=4 715 B6R0.5 C[Si](C)(CC=C)Cl A151246 [0,1,0,0,0,0|1,1,0]=3 716 B6R0.5 C[Si](CC=C)(Cl)Cl A332846 [0,1,0,0,0,0|2,1,0]=4 717 B6R1.2 C1C=CCC1O C141167 [0,0,0,1,0,0|2,0,0]=3 718 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|2,0,1]=4 719 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|2,0,1]=4 720 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|2,0,1]=4 721 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|2,0,1]=4 722 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|2,0,1]=4 723 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|2,0,1]=4 724 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|2,0,1]=4 725 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|2,0,1]=4 726 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|2,0,1]=4 727 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|2,0,1]=4 728 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|2,0,1]=4 729 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|2,0,1]=4 730 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|2,0,1]=4 731 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|2,0,1]=4 732 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|2,0,1]=4 733 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|2,0,1]=4 734 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|2,0,1]=4 735 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|2,0,1]=4 736 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|2,0,1]=4 737 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|1,0,2]=4 738 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|1,0,2]=4 739 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|1,0,2]=4 740 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|1,0,2]=4 741 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|1,0,2]=4 742 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|1,0,2]=4 743 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|1,0,2]=4 744 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|1,0,2]=4 745 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|1,0,2]=4 746 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|1,0,1]=3 747 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|1,0,1]=3 748 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|1,0,1]=3 749 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|2,0,1]=4 750 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|2,0,1]=4 751 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|2,0,1]=4 752 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|2,0,1]=4 753 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|2,0,1]=4 754 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|2,0,1]=4 755 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|2,0,1]=4 756 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|2,0,1]=4 757 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|2,0,1]=4 758 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|1,0,1]=3 759 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|0,0,2]=3 760 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|1,0,2]=4 761 B6R1.2 CN1CCCC1 M109523 [0,0,0,1,0,0|2,0,1]=4 762 B6R1.3 C1C(O1)CCBr D302399 [0,0,0,1,0,0|2,0,1]=4 763 B6R1.3 C1CC1CC#N C339744 [0,0,0,1,0,0|1,0,1]=3 764 B6R1.3 C1CC1CCI I176162 [0,0,0,1,0,0|1,0,1]=3 765 B6R1.3 C1CC1CON O194839 [0,0,0,1,0,0|2,0,0]=3 766 B6R1.3 C1CC1N=C=O I184669 [0,0,0,1,0,0|1,0,1]=3 767 B6R1.3 C1CC1N=C=S C140532 [0,0,0,1,0,0|1,1,1]=4 768 B6R1.3 C1CN1CCO H157166 [0,0,0,1,0,0|1,0,2]=4 769 B6R1.3 CCCC1CO1 E156390 [0,0,0,1,0,0|2,0,1]=4 770 B6R1.3 COCC1CO1 G156840 [0,0,0,1,0,0|3,0,0]=4 771 B6R1.3 COCC1CO1 R160880 [0,0,0,1,0,0|3,0,0]=4 772 B6R1.3 COCC1CO1 S139136 [0,0,0,1,0,0|3,0,0]=4 773 B6R1.5 C1C(CC1O)N C172673 [0,0,0,1,0,0|1,0,2]=4 774 B6R1.5 C1C(CC1O)N T172530 [0,0,0,1,0,0|1,0,2]=4 775 B6R1.5 CC1CC(=O)O1 B152852 [0,0,0,1,0,0|1,0,0]=2 776 B6R1.5 CN1CC(C1)O H586376 [0,0,0,1,0,0|1,0,2]=4 777 B6R1.5 CN1CC(C1)O M175942 [0,0,0,1,0,0|1,0,2]=4 778 B6R1.10 CC1(CCC1)N M174981 [0,0,0,1,0,0|2,0,1]=4 779 B6R1.10 CC1(CCC1)O M491477 [0,0,0,1,0,0|2,0,1]=4 780 B6R1.10 CC1(COC1)N M136750 [0,0,0,1,0,0|3,0,0]=4 781 B6R1.10 CC1(COC1)O M174660 [0,0,0,1,0,0|3,0,0]=4 782 B6R1.10 C[Si]1(CCC1)C D168803 [0,0,0,1,0,0|1,1,1]=4 783 B6R1.11 CC(C1CC1)N B300122 [0,0,0,1,0,0|2,0,1]=4 784 B6R1.11 CC(C1CC1)N R587936 [0,0,0,1,0,0|2,0,1]=4 785 B6R1.11 CC(C1CC1)N S175013 [0,0,0,1,0,0|2,0,1]=4 786 B6R1.11 CC(C1CC1)O C153900 [0,0,0,1,0,0|2,0,1]=4 787 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|1,0,1]=4 788 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|1,0,1]=4 789 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|1,0,1]=4 790 B3R0.1 C(=O)NN F109757 [2,0,0,0,0,0|2,0,0]=4 791 B3R0.1 C(CBr)Cl B106996 [2,0,0,0,0,0|2,0,0]=4 792 B3R0.1 C(CBr)N B109291 [2,0,0,0,0,0|2,0,0]=4 793 B3R0.1 C(CBr)O B111177 [2,0,0,0,0,0|1,0,1]=4 794 B3R0.1 C(CBr)O B111178 [2,0,0,0,0,0|1,0,1]=4 795 B3R0.1 C(CBr)O B136478 [2,0,0,0,0,0|1,0,1]=4 796 B3R0.1 C(CCl)Cl D115109 [2,0,0,0,0,0|2,0,0]=4 797 B3R0.1 C(CCl)Cl D116246 [2,0,0,0,0,0|2,0,0]=4 798 B3R0.1 C(CCl)Cl D116247 [2,0,0,0,0,0|2,0,0]=4 799 B3R0.1 C(CCl)Cl D116248 [2,0,0,0,0,0|2,0,0]=4 800 B3R0.1 C(CCl)Cl D116249 [2,0,0,0,0,0|2,0,0]=4 801 B3R0.1 C(CCl)Cl D116251 [2,0,0,0,0,0|2,0,0]=4 802 B3R0.1 C(CCl)Cl D116253 [2,0,0,0,0,0|2,0,0]=4 803 B3R0.1 C(CCl)Cl D119458 [2,0,0,0,0,0|2,0,0]=4 804 B3R0.1 C(CCl)Cl D128127 [2,0,0,0,0,0|2,0,0]=4 805 B3R0.1 C(CCl)Cl D431341 [2,0,0,0,0,0|2,0,0]=4 806 B3R0.1 C(CCl)N C107599 [2,0,0,0,0,0|2,0,0]=4 807 B3R0.1 C(CF)N F138873 [2,0,0,0,0,0|2,0,0]=4 808 B3R0.1 C(CF)O F110315 [2,0,0,0,0,0|1,0,1]=4 809 B3R0.1 C(CI)Cl C140416 [2,0,0,0,0,0|2,0,0]=4 810 B3R0.1 C(CI)F F194951 [2,0,0,0,0,0|2,0,0]=4 811 B3R0.1 C(CI)I D155311 [2,0,0,0,0,0|2,0,0]=4 812 B3R0.1 C(CI)O I137311 [2,0,0,0,0,0|1,0,1]=4 813 B3R0.1 C(CI)O I575056 [2,0,0,0,0,0|1,0,1]=4 814 B3R0.1 C(CN)N D129174 [2,0,0,0,0,0|2,0,0]=4 815 B3R0.1 C(CN)N D189014 [2,0,0,0,0,0|2,0,0]=4 816 B3R0.1 C(CN)N E108437 [2,0,0,0,0,0|2,0,0]=4 817 B3R0.1 C(CN)N E112132 [2,0,0,0,0,0|2,0,0]=4 818 B3R0.1 C(CN)N E112640 [2,0,0,0,0,0|2,0,0]=4 819 B3R0.1 C(CN)N E112642 [2,0,0,0,0,0|2,0,0]=4 820 B3R0.1 C(CN)N E112643 [2,0,0,0,0,0|2,0,0]=4 821 B3R0.1 C(CN)N E137281 [2,0,0,0,0,0|2,0,0]=4 822 B3R0.1 C(CN)N E156113 [2,0,0,0,0,0|2,0,0]=4 823 B3R0.1 C(CN)N E431349 [2,0,0,0,0,0|2,0,0]=4 824 B3R0.1 C(CN)N E468771 [2,0,0,0,0,0|2,0,0]=4 825 B3R0.1 C(CN)N E472137 [2,0,0,0,0,0|2,0,0]=4 826 B3R0.1 C(CN)N E492758 [2,0,0,0,0,0|2,0,0]=4 827 B3R0.1 C(CN)N E492761 [2,0,0,0,0,0|2,0,0]=4 828 B3R0.1 C(CN)N E492905 [2,0,0,0,0,0|2,0,0]=4 829 B3R0.1 C(CN)N P121256 [2,0,0,0,0,0|2,0,0]=4 830 B3R0.1 C(CO)N A301834 [2,0,0,0,0,0|1,0,1]=4 831 B3R0.1 C(CO)N E103802 [2,0,0,0,0,0|1,0,1]=4 832 B3R0.1 C(CO)N E103806 [2,0,0,0,0,0|1,0,1]=4 833 B3R0.1 C(CO)N E103808 [2,0,0,0,0,0|1,0,1]=4 834 B3R0.1 C(CO)N E103809 [2,0,0,0,0,0|1,0,1]=4 835 B3R0.1 C(CO)N E103810 [2,0,0,0,0,0|1,0,1]=4 836 B3R0.1 C(CO)N E120635 [2,0,0,0,0,0|1,0,1]=4 837 B3R0.1 C(CO)N E292771 [2,0,0,0,0,0|1,0,1]=4 838 B3R0.1 C(CO)N E292783 [2,0,0,0,0,0|1,0,1]=4 839 B3R0.1 C(CO)N E301792 [2,0,0,0,0,0|1,0,1]=4 840 B3R0.1 C(CO)N E422436 [2,0,0,0,0,0|1,0,1]=4 841 B3R0.1 C(CO)N E491883 [2,0,0,0,0,0|1,0,1]=4 842 B3R0.1 C(CO)O E103318 [2,0,0,0,0,0|1,0,1]=4 843 B3R0.1 C(CO)O E103319 [2,0,0,0,0,0|1,0,1]=4 844 B3R0.1 C(CO)O E103321 [2,0,0,0,0,0|1,0,1]=4 845 B3R0.1 C(CO)O E103322 [2,0,0,0,0,0|1,0,1]=4 846 B3R0.1 C(CO)O E103323 [2,0,0,0,0,0|1,0,1]=4 847 B3R0.1 C(CO)O E119700 [2,0,0,0,0,0|1,0,1]=4 848 B3R0.1 C(CO)O E336117 [2,0,0,0,0,0|1,0,1]=4 849 B3R0.1 C(CO)O E431350 [2,0,0,0,0,0|1,0,1]=4 850 B3R0.1 C(CO)O E472164 [2,0,0,0,0,0|1,0,1]=4 851 B3R0.1 C(CS)N C106201 [2,0,0,0,0,0|1,1,0]=4 852 B3R0.1 C(CS)N C106461 [2,0,0,0,0,0|1,1,0]=4 853 B3R0.1 C(CS)N C406662 [2,0,0,0,0,0|1,1,0]=4 854 B3R0.1 C(CS)N C421874 [2,0,0,0,0,0|1,1,0]=4 855 B3R0.1 C(CS)N C425002 [2,0,0,0,0,0|1,1,0]=4 856 B3R0.1 C(CS)N E491887 [2,0,0,0,0,0|1,1,0]=4 857 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|1,0,1]=4 858 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|1,0,1]=4 859 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|1,0,1]=4 860 B3R0.1 C(CS)S E106222 [2,0,0,0,0,0|1,1,0]=4 861 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|0,0,2]=4 862 B3R0.1 C=CCBr A108658 [2,0,0,0,0,0|1,0,1]=4 863 B3R0.1 C=CCCl A103820 [2,0,0,0,0,0|1,0,1]=4 864 B3R0.1 C=CCCl A103821 [2,0,0,0,0,0|1,0,1]=4 865 B3R0.1 C=CCCl A103822 [2,0,0,0,0,0|1,0,1]=4 866 B3R0.1 C=CCCl A141152 [2,0,0,0,0,0|1,0,1]=4 867 B3R0.1 C=CCI A109401 [2,0,0,0,0,0|1,0,1]=4 868 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|1,0,1]=4 869 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|1,0,1]=4 870 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|1,0,1]=4 871 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|1,0,1]=4 872 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|1,0,1]=4 873 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,1]=4 874 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,1]=4 875 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,0]=2 876 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,0]=2 877 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,0]=3 878 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,0]=3 879 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,0]=3 880 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,0]=3 881 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,0]=3 882 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,0]=3 883 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,0]=3 884 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,0]=3 885 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,0]=3 886 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,0]=3 887 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,0]=3 888 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,0]=3 889 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,0]=3 890 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,0]=3 891 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,0,1]=3 892 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,0,1]=3 893 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,0,1]=3 894 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,0,1]=3 895 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,0,1]=3 896 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,0,1]=3 897 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,0,1]=3 898 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,0,1]=3 899 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,0,1]=3 900 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,1,0]=3 901 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,1,0]=3 902 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|0,0,1]=3 903 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|0,0,1]=3 904 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|0,0,1]=3 905 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|0,0,1]=3 906 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|0,0,1]=3 907 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,0,1]=3 908 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,0,1]=3 909 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,1,0]=3 910 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,0,1]=4 911 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 912 B3R0.1 CCSC E140654 [2,0,0,0,0,0|1,0,1]=4 913 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|0,0,2]=4 914 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|1,0,1]=4 915 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|1,0,1]=4 916 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|1,0,1]=4 917 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|1,0,0]=3 918 B3R0.1 COC=C P304875 [2,0,0,0,0,0|1,0,1]=4 919 B3R0.1 COCBr B138143 [2,0,0,0,0,0|2,0,0]=4 920 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|2,0,0]=4 921 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,1]=4 922 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|0,0,1]=3 923 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|0,0,1]=3 924 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|0,0,1]=3 925 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|0,0,1]=3 926 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|0,0,1]=3 927 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|0,0,1]=3 928 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|0,0,1]=3 929 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|0,0,1]=3 930 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|0,0,1]=3 931 B3R0.2 CC(=O)Br A109619 [2,0,0,0,0,0|1,0,1]=4 932 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,0,1]=3 933 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,0,1]=3 934 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,0,1]=3 935 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,0,1]=3 936 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,0,1]=3 937 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,0,1]=3 938 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,0,1]=3 939 B3R0.2 CC(=O)Cl A108662 [2,0,0,0,0,0|1,0,1]=4 940 B3R0.2 CC(=O)Cl A108664 [2,0,0,0,0,0|1,0,1]=4 941 B3R0.2 CC(=O)Cl A121289 [2,0,0,0,0,0|1,0,1]=4 942 B3R0.2 CC(=O)Cl A140638 [2,0,0,0,0,0|1,0,1]=4 943 B3R0.2 CC(=O)I A151620 [2,0,0,0,0,0|1,0,1]=4 944 B3R0.2 CC(=O)N A108460 [2,0,0,0,0,0|1,0,1]=4 945 B3R0.2 CC(=O)N A108461 [2,0,0,0,0,0|1,0,1]=4 946 B3R0.2 CC(=O)N A108462 [2,0,0,0,0,0|1,0,1]=4 947 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|1,0,1]=4 948 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|1,0,1]=4 949 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|1,0,1]=4 950 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|1,0,1]=4 951 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|1,0,1]=4 952 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|1,0,1]=4 953 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|1,0,1]=4 954 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|1,0,1]=4 955 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|1,0,1]=4 956 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|1,0,1]=4 957 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|1,0,1]=4 958 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|1,0,1]=4 959 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|1,0,1]=4 960 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|1,0,1]=4 961 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|1,0,1]=4 962 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|1,0,1]=4 963 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|1,0,1]=4 964 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|1,0,1]=4 965 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|1,0,1]=4 966 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|1,0,1]=4 967 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|1,0,1]=4 968 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|1,0,1]=4 969 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|1,0,1]=4 970 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|1,0,1]=4 971 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|1,0,1]=4 972 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|1,0,1]=4 973 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|1,0,1]=4 974 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|1,0,1]=4 975 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|1,0,1]=4 976 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|1,0,1]=4 977 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|1,0,1]=4 978 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|1,0,1]=4 979 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|1,0,1]=4 980 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|1,0,1]=4 981 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|1,0,1]=4 982 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|1,0,1]=4 983 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|1,0,1]=4 984 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|1,0,1]=4 985 B3R0.2 CC(=O)S T112604 [2,0,0,0,0,0|1,0,1]=4 986 B3R0.2 CC(=O)[O-] A111331 [2,0,0,0,0,0|1,0,1]=4 987 B3R0.2 CC(=O)[O-] A112048 [2,0,0,0,0,0|1,0,1]=4 988 B3R0.2 CC(=O)[O-] A112055 [2,0,0,0,0,0|1,0,1]=4 989 B3R0.2 CC(=O)[O-] A112056 [2,0,0,0,0,0|1,0,1]=4 990 B3R0.2 CC(=O)[O-] A112057 [2,0,0,0,0,0|1,0,1]=4 991 B3R0.2 CC(=O)[O-] A112058 [2,0,0,0,0,0|1,0,1]=4 992 B3R0.2 CC(=O)[O-] A112059 [2,0,0,0,0,0|1,0,1]=4 993 B3R0.2 CC(=O)[O-] A112060 [2,0,0,0,0,0|1,0,1]=4 994 B3R0.2 CC(=O)[O-] A112061 [2,0,0,0,0,0|1,0,1]=4 995 B3R0.2 CC(=O)[O-] A121772 [2,0,0,0,0,0|1,0,1]=4 996 B3R0.2 CC(=O)[O-] A294961 [2,0,0,0,0,0|1,0,1]=4 997 B3R0.2 CC(=O)[O-] A294964 [2,0,0,0,0,0|1,0,1]=4 998 B3R0.2 CC(=O)[O-] A433166 [2,0,0,0,0,0|1,0,1]=4 999 B3R0.2 CC(=O)[O-] B102945 [2,0,0,0,0,0|1,0,1]=4 1000 B3R0.2 CC(=O)[O-] B102947 [2,0,0,0,0,0|1,0,1]=4 1001 B3R0.2 CC(=O)[O-] B102949 [2,0,0,0,0,0|1,0,1]=4 1002 B3R0.2 CC(=O)[O-] B303104 [2,0,0,0,0,0|1,0,1]=4 1003 B3R0.2 CC(=O)[O-] B303105 [2,0,0,0,0,0|1,0,1]=4 1004 B3R0.2 CC(=O)[O-] C100139 [2,0,0,0,0,0|1,0,1]=4 1005 B3R0.2 CC(=O)[O-] C100141 [2,0,0,0,0,0|1,0,1]=4 1006 B3R0.2 CC(=O)[O-] C105400 [2,0,0,0,0,0|1,0,1]=4 1007 B3R0.2 CC(=O)[O-] C106020 [2,0,0,0,0,0|1,0,1]=4 1008 B3R0.2 CC(=O)[O-] C106650 [2,0,0,0,0,0|1,0,1]=4 1009 B3R0.2 CC(=O)[O-] C106651 [2,0,0,0,0,0|1,0,1]=4 1010 B3R0.2 CC(=O)[O-] C108085 [2,0,0,0,0,0|1,0,1]=4 1011 B3R0.2 CC(=O)[O-] C108885 [2,0,0,0,0,0|1,0,1]=4 1012 B3R0.2 CC(=O)[O-] C108886 [2,0,0,0,0,0|1,0,1]=4 1013 B3R0.2 CC(=O)[O-] C110803 [2,0,0,0,0,0|1,0,1]=4 1014 B3R0.2 CC(=O)[O-] C110804 [2,0,0,0,0,0|1,0,1]=4 1015 B3R0.2 CC(=O)[O-] C110805 [2,0,0,0,0,0|1,0,1]=4 1016 B3R0.2 CC(=O)[O-] C110807 [2,0,0,0,0,0|1,0,1]=4 1017 B3R0.2 CC(=O)[O-] C118497 [2,0,0,0,0,0|1,0,1]=4 1018 B3R0.2 CC(=O)[O-] C118636 [2,0,0,0,0,0|1,0,1]=4 1019 B3R0.2 CC(=O)[O-] C118637 [2,0,0,0,0,0|1,0,1]=4 1020 B3R0.2 CC(=O)[O-] C131576 [2,0,0,0,0,0|1,0,1]=4 1021 B3R0.2 CC(=O)[O-] C153760 [2,0,0,0,0,0|1,0,1]=4 1022 B3R0.2 CC(=O)[O-] C197275 [2,0,0,0,0,0|1,0,1]=4 1023 B3R0.2 CC(=O)[O-] C305845 [2,0,0,0,0,0|1,0,1]=4 1024 B3R0.2 CC(=O)[O-] C433063 [2,0,0,0,0,0|1,0,1]=4 1025 B3R0.2 CC(=O)[O-] C433113 [2,0,0,0,0,0|1,0,1]=4 1026 B3R0.2 CC(=O)[O-] C472574 [2,0,0,0,0,0|1,0,1]=4 1027 B3R0.2 CC(=O)[O-] C485449 [2,0,0,0,0,0|1,0,1]=4 1028 B3R0.2 CC(=O)[O-] C616592 [2,0,0,0,0,0|1,0,1]=4 1029 B3R0.2 CC(=O)[O-] E347618 [2,0,0,0,0,0|1,0,1]=4 1030 B3R0.2 CC(=O)[O-] G302975 [2,0,0,0,0,0|1,0,1]=4 1031 B3R0.2 CC(=O)[O-] H283501 [2,0,0,0,0,0|1,0,1]=4 1032 B3R0.2 CC(=O)[O-] I157596 [2,0,0,0,0,0|1,0,1]=4 1033 B3R0.2 CC(=O)[O-] I192310 [2,0,0,0,0,0|1,0,1]=4 1034 B3R0.2 CC(=O)[O-] I432598 [2,0,0,0,0,0|1,0,1]=4 1035 B3R0.2 CC(=O)[O-] I432599 [2,0,0,0,0,0|1,0,1]=4 1036 B3R0.2 CC(=O)[O-] L102778 [2,0,0,0,0,0|1,0,1]=4 1037 B3R0.2 CC(=O)[O-] L102779 [2,0,0,0,0,0|1,0,1]=4 1038 B3R0.2 CC(=O)[O-] L105189 [2,0,0,0,0,0|1,0,1]=4 1039 B3R0.2 CC(=O)[O-] L105191 [2,0,0,0,0,0|1,0,1]=4 1040 B3R0.2 CC(=O)[O-] L105192 [2,0,0,0,0,0|1,0,1]=4 1041 B3R0.2 CC(=O)[O-] L106809 [2,0,0,0,0,0|1,0,1]=4 1042 B3R0.2 CC(=O)[O-] L106810 [2,0,0,0,0,0|1,0,1]=4 1043 B3R0.2 CC(=O)[O-] L118609 [2,0,0,0,0,0|1,0,1]=4 1044 B3R0.2 CC(=O)[O-] L118858 [2,0,0,0,0,0|1,0,1]=4 1045 B3R0.2 CC(=O)[O-] L168480 [2,0,0,0,0,0|1,0,1]=4 1046 B3R0.2 CC(=O)[O-] L189058 [2,0,0,0,0,0|1,0,1]=4 1047 B3R0.2 CC(=O)[O-] L196609 [2,0,0,0,0,0|1,0,1]=4 1048 B3R0.2 CC(=O)[O-] L331817 [2,0,0,0,0,0|1,0,1]=4 1049 B3R0.2 CC(=O)[O-] M108880 [2,0,0,0,0,0|1,0,1]=4 1050 B3R0.2 CC(=O)[O-] M108882 [2,0,0,0,0,0|1,0,1]=4 1051 B3R0.2 CC(=O)[O-] M108883 [2,0,0,0,0,0|1,0,1]=4 1052 B3R0.2 CC(=O)[O-] M108884 [2,0,0,0,0,0|1,0,1]=4 1053 B3R0.2 CC(=O)[O-] M131577 [2,0,0,0,0,0|1,0,1]=4 1054 B3R0.2 CC(=O)[O-] M168281 [2,0,0,0,0,0|1,0,1]=4 1055 B3R0.2 CC(=O)[O-] M302852 [2,0,0,0,0,0|1,0,1]=4 1056 B3R0.2 CC(=O)[O-] M433192 [2,0,0,0,0,0|1,0,1]=4 1057 B3R0.2 CC(=O)[O-] M587217 [2,0,0,0,0,0|1,0,1]=4 1058 B3R0.2 CC(=O)[O-] M615748 [2,0,0,0,0,0|1,0,1]=4 1059 B3R0.2 CC(=O)[O-] P100486 [2,0,0,0,0,0|1,0,1]=4 1060 B3R0.2 CC(=O)[O-] P108325 [2,0,0,0,0,0|1,0,1]=4 1061 B3R0.2 CC(=O)[O-] P108329 [2,0,0,0,0,0|1,0,1]=4 1062 B3R0.2 CC(=O)[O-] P108330 [2,0,0,0,0,0|1,0,1]=4 1063 B3R0.2 CC(=O)[O-] P111485 [2,0,0,0,0,0|1,0,1]=4 1064 B3R0.2 CC(=O)[O-] P111486 [2,0,0,0,0,0|1,0,1]=4 1065 B3R0.2 CC(=O)[O-] P160183 [2,0,0,0,0,0|1,0,1]=4 1066 B3R0.2 CC(=O)[O-] P283478 [2,0,0,0,0,0|1,0,1]=4 1067 B3R0.2 CC(=O)[O-] P283931 [2,0,0,0,0,0|1,0,1]=4 1068 B3R0.2 CC(=O)[O-] P299555 [2,0,0,0,0,0|1,0,1]=4 1069 B3R0.2 CC(=O)[O-] P299556 [2,0,0,0,0,0|1,0,1]=4 1070 B3R0.2 CC(=O)[O-] P639156 [2,0,0,0,0,0|1,0,1]=4 1071 B3R0.2 CC(=O)[O-] R102671 [2,0,0,0,0,0|1,0,1]=4 1072 B3R0.2 CC(=O)[O-] R283395 [2,0,0,0,0,0|1,0,1]=4 1073 B3R0.2 CC(=O)[O-] R304476 [2,0,0,0,0,0|1,0,1]=4 1074 B3R0.2 CC(=O)[O-] S104731 [2,0,0,0,0,0|1,0,1]=4 1075 B3R0.2 CC(=O)[O-] S104733 [2,0,0,0,0,0|1,0,1]=4 1076 B3R0.2 CC(=O)[O-] S111519 [2,0,0,0,0,0|1,0,1]=4 1077 B3R0.2 CC(=O)[O-] S111520 [2,0,0,0,0,0|1,0,1]=4 1078 B3R0.2 CC(=O)[O-] S111521 [2,0,0,0,0,0|1,0,1]=4 1079 B3R0.2 CC(=O)[O-] S111522 [2,0,0,0,0,0|1,0,1]=4 1080 B3R0.2 CC(=O)[O-] S112480 [2,0,0,0,0,0|1,0,1]=4 1081 B3R0.2 CC(=O)[O-] S116316 [2,0,0,0,0,0|1,0,1]=4 1082 B3R0.2 CC(=O)[O-] S116317 [2,0,0,0,0,0|1,0,1]=4 1083 B3R0.2 CC(=O)[O-] S116318 [2,0,0,0,0,0|1,0,1]=4 1084 B3R0.2 CC(=O)[O-] S116319 [2,0,0,0,0,0|1,0,1]=4 1085 B3R0.2 CC(=O)[O-] S116320 [2,0,0,0,0,0|1,0,1]=4 1086 B3R0.2 CC(=O)[O-] S118647 [2,0,0,0,0,0|1,0,1]=4 1087 B3R0.2 CC(=O)[O-] S118648 [2,0,0,0,0,0|1,0,1]=4 1088 B3R0.2 CC(=O)[O-] S118649 [2,0,0,0,0,0|1,0,1]=4 1089 B3R0.2 CC(=O)[O-] S118650 [2,0,0,0,0,0|1,0,1]=4 1090 B3R0.2 CC(=O)[O-] S118661 [2,0,0,0,0,0|1,0,1]=4 1091 B3R0.2 CC(=O)[O-] S121307 [2,0,0,0,0,0|1,0,1]=4 1092 B3R0.2 CC(=O)[O-] S299214 [2,0,0,0,0,0|1,0,1]=4 1093 B3R0.2 CC(=O)[O-] S299215 [2,0,0,0,0,0|1,0,1]=4 1094 B3R0.2 CC(=O)[O-] S301881 [2,0,0,0,0,0|1,0,1]=4 1095 B3R0.2 CC(=O)[O-] S301882 [2,0,0,0,0,0|1,0,1]=4 1096 B3R0.2 CC(=O)[O-] S305337 [2,0,0,0,0,0|1,0,1]=4 1097 B3R0.2 CC(=O)[O-] S306014 [2,0,0,0,0,0|1,0,1]=4 1098 B3R0.2 CC(=O)[O-] S331497 [2,0,0,0,0,0|1,0,1]=4 1099 B3R0.2 CC(=O)[O-] S335300 [2,0,0,0,0,0|1,0,1]=4 1100 B3R0.2 CC(=O)[O-] S339494 [2,0,0,0,0,0|1,0,1]=4 1101 B3R0.2 CC(=O)[O-] S421119 [2,0,0,0,0,0|1,0,1]=4 1102 B3R0.2 CC(=O)[O-] S431676 [2,0,0,0,0,0|1,0,1]=4 1103 B3R0.2 CC(=O)[O-] S431678 [2,0,0,0,0,0|1,0,1]=4 1104 B3R0.2 CC(=O)[O-] S431679 [2,0,0,0,0,0|1,0,1]=4 1105 B3R0.2 CC(=O)[O-] S431680 [2,0,0,0,0,0|1,0,1]=4 1106 B3R0.2 CC(=O)[O-] S434883 [2,0,0,0,0,0|1,0,1]=4 1107 B3R0.2 CC(=O)[O-] T303317 [2,0,0,0,0,0|1,0,1]=4 1108 B3R0.2 CC(=O)[O-] T304247 [2,0,0,0,0,0|1,0,1]=4 1109 B3R0.2 CC(=O)[O-] T331924 [2,0,0,0,0,0|1,0,1]=4 1110 B3R0.2 CC(=O)[O-] Z110777 [2,0,0,0,0,0|1,0,1]=4 1111 B3R0.2 CC(=O)[O-] Z110779 [2,0,0,0,0,0|1,0,1]=4 1112 B3R0.2 CC(=O)[O-] Z110780 [2,0,0,0,0,0|1,0,1]=4 1113 B3R0.2 CC(=O)[O-] Z110957 [2,0,0,0,0,0|1,0,1]=4 1114 B3R0.2 CC(=O)[O-] Z111245 [2,0,0,0,0,0|1,0,1]=4 1115 B3R0.2 CC(=O)[O-] Z119378 [2,0,0,0,0,0|1,0,1]=4 1116 B3R0.2 CC(=O)[O-] Z424741 [2,0,0,0,0,0|1,0,1]=4 1117 B3R0.2 CC(=O)[O-] Z424969 [2,0,0,0,0,0|1,0,1]=4 1118 B3R0.2 CC(=O)[O-] Z433041 [2,0,0,0,0,0|1,0,1]=4 1119 B3R0.2 CC(=O)[O-] Z434712 [2,0,0,0,0,0|1,0,1]=4 1120 B3R0.2 CC(=O)[O-] Z489311 [2,0,0,0,0,0|1,0,1]=4 1121 B3R0.2 CC(Br)Br D155317 [2,0,0,0,0,0|2,0,0]=4 1122 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,0]=3 1123 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,0]=3 1124 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,0]=3 1125 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,0]=3 1126 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,0]=3 1127 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,0]=3 1128 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,0]=3 1129 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,0]=3 1130 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,0]=3 1131 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,0]=3 1132 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,0,1]=3 1133 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,0,1]=3 1134 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,0,1]=3 1135 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,0,1]=3 1136 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,0,1]=3 1137 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,0,1]=3 1138 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,0,1]=3 1139 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,0,1]=3 1140 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,0,1]=3 1141 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,0,1]=3 1142 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,0,1]=3 1143 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,0,1]=3 1144 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,0,1]=3 1145 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,0,1]=3 1146 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,0,1]=3 1147 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,0,1]=3 1148 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,0,1]=3 1149 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,1,0]=3 1150 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|0,0,1]=3 1151 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,0,1]=3 1152 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,0,1]=3 1153 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,0,1]=3 1154 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,0,1]=3 1155 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,0,1]=3 1156 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,0,1]=3 1157 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,0,1]=3 1158 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,0,1]=3 1159 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,0,1]=3 1160 B3R0.2 CC(Cl)Cl D119825 [2,0,0,0,0,0|2,0,0]=4 1161 B3R0.2 CC(Cl)Cl D128120 [2,0,0,0,0,0|2,0,0]=4 1162 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|1,0,0]=3 1163 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|1,0,0]=3 1164 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|1,0,0]=3 1165 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|1,0,0]=3 1166 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|1,0,0]=3 1167 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|1,0,0]=3 1168 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|1,0,0]=3 1169 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|1,0,0]=3 1170 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,0,1]=4 1171 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,0]=3 1172 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,0]=3 1173 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,0]=3 1174 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,0]=3 1175 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,0]=3 1176 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,0]=3 1177 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,0]=3 1178 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,0]=3 1179 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,0]=3 1180 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,0]=3 1181 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,0]=3 1182 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,0]=3 1183 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,0]=3 1184 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,0]=3 1185 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,0]=3 1186 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,0]=3 1187 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,0]=3 1188 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,0]=3 1189 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,0]=3 1190 B3R0.2 CS(=O)Cl M589856 [2,0,0,0,0,0|2,0,0]=4 1191 B3R0.2 CS(=O)[O-] S161089 [2,0,0,0,0,0|2,0,0]=4 1192 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 1193 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|0,0,1]=3 1194 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|0,0,1]=3 1195 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|1,0,0]=3 1196 B3R0.2 C[N+](=O)[O-] N102268 [2,0,0,0,0,0|2,0,0]=4 1197 B3R0.2 C[N+](=O)[O-] N109661 [2,0,0,0,0,0|2,0,0]=4 1198 B3R0.2 C[N+](=O)[O-] N109662 [2,0,0,0,0,0|2,0,0]=4 1199 B3R0.2 C[N+](=O)[O-] N109664 [2,0,0,0,0,0|2,0,0]=4 1200 B3R0.2 C[N+](=O)[O-] N109665 [2,0,0,0,0,0|2,0,0]=4 1201 B3R0.2 C[N+](=O)[O-] N109666 [2,0,0,0,0,0|2,0,0]=4 1202 B3R0.2 C[N+](=O)[O-] N119666 [2,0,0,0,0,0|2,0,0]=4 1203 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,0,0]=3 1204 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 1205 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|1,0,0]=3 1206 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|1,0,0]=3 1207 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|1,0,0]=3 1208 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,1,0]=3 1209 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|1,0,0]=3 1210 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|1,0,0]=3 1211 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|1,0,0]=3 1212 B5R0.3 C(=O)C(C=O)Br B122442 [1,1,0,0,0,0|1,0,1]=4 1213 B5R0.3 C(C(C=O)O)O D134978 [1,1,0,0,0,0|1,0,0]=3 1214 B5R0.3 C(C(C=O)O)O D589509 [1,1,0,0,0,0|1,0,0]=3 1215 B5R0.3 C(C(C=O)O)O S138916 [1,1,0,0,0,0|1,0,0]=3 1216 B5R0.3 C(C(CBr)Br)Br T109520 [1,1,0,0,0,0|2,0,0]=4 1217 B5R0.3 C(C(CBr)Br)Cl D469912 [1,1,0,0,0,0|2,0,0]=4 1218 B5R0.3 C(C(CBr)Br)N D487237 [1,1,0,0,0,0|2,0,0]=4 1219 B5R0.3 C(C(CBr)Br)O D154495 [1,1,0,0,0,0|1,0,1]=4 1220 B5R0.3 C(C(CBr)O)Br D100260 [1,1,0,0,0,0|2,0,0]=4 1221 B5R0.3 C(C(CBr)O)O B133715 [1,1,0,0,0,0|1,0,1]=4 1222 B5R0.3 C(C(CCl)Cl)Cl T128156 [1,1,0,0,0,0|2,0,0]=4 1223 B5R0.3 C(C(CCl)Cl)O D154496 [1,1,0,0,0,0|1,0,1]=4 1224 B5R0.3 C(C(CCl)O)Cl D110862 [1,1,0,0,0,0|2,0,0]=4 1225 B5R0.3 C(C(CCl)O)Cl D110863 [1,1,0,0,0,0|2,0,0]=4 1226 B5R0.3 C(C(CCl)O)Cl D357372 [1,1,0,0,0,0|2,0,0]=4 1227 B5R0.3 C(C(CCl)O)N S192900 [1,1,0,0,0,0|2,0,0]=4 1228 B5R0.3 C(C(CCl)O)O C106058 [1,1,0,0,0,0|1,0,1]=4 1229 B5R0.3 C(C(CCl)O)O C106059 [1,1,0,0,0,0|1,0,1]=4 1230 B5R0.3 C(C(CCl)O)O C356973 [1,1,0,0,0,0|1,0,1]=4 1231 B5R0.3 C(C(CF)O)F D170430 [1,1,0,0,0,0|2,0,0]=4 1232 B5R0.3 C(C(CN)O)N D121823 [1,1,0,0,0,0|2,0,0]=4 1233 B5R0.3 C(C(CO)N)O A100952 [1,1,0,0,0,0|1,0,1]=4 1234 B5R0.3 C(C(CO)N)O A101351 [1,1,0,0,0,0|1,0,1]=4 1235 B5R0.3 C(C(CO)O)N A101946 [1,1,0,0,0,0|1,0,1]=4 1236 B5R0.3 C(C(CO)O)N A103187 [1,1,0,0,0,0|1,0,1]=4 1237 B5R0.3 C(C(CO)O)N A107504 [1,1,0,0,0,0|1,0,1]=4 1238 B5R0.3 C(C(CO)O)O G116202 [1,1,0,0,0,0|1,0,1]=4 1239 B5R0.3 C(C(CO)O)O G116203 [1,1,0,0,0,0|1,0,1]=4 1240 B5R0.3 C(C(CO)O)O G116205 [1,1,0,0,0,0|1,0,1]=4 1241 B5R0.3 C(C(CO)O)O G116206 [1,1,0,0,0,0|1,0,1]=4 1242 B5R0.3 C(C(CO)O)O G116208 [1,1,0,0,0,0|1,0,1]=4 1243 B5R0.3 C(C(CO)O)O G116209 [1,1,0,0,0,0|1,0,1]=4 1244 B5R0.3 C(C(CO)O)O G116213 [1,1,0,0,0,0|1,0,1]=4 1245 B5R0.3 C(C(CO)O)O G116214 [1,1,0,0,0,0|1,0,1]=4 1246 B5R0.3 C(C(CO)O)O G116215 [1,1,0,0,0,0|1,0,1]=4 1247 B5R0.3 C(C(CO)O)O G117555 [1,1,0,0,0,0|1,0,1]=4 1248 B5R0.3 C(C(CO)O)O G117556 [1,1,0,0,0,0|1,0,1]=4 1249 B5R0.3 C(C(CO)O)O G294877 [1,1,0,0,0,0|1,0,1]=4 1250 B5R0.3 C(C(CO)O)O G334451 [1,1,0,0,0,0|1,0,1]=4 1251 B5R0.3 C(C(CO)O)O G424796 [1,1,0,0,0,0|1,0,1]=4 1252 B5R0.3 C(C(CO)O)O G472031 [1,1,0,0,0,0|1,0,1]=4 1253 B5R0.3 C(C(CO)O)O G474157 [1,1,0,0,0,0|1,0,1]=4 1254 B5R0.3 C(C(CS)O)O T109440 [1,1,0,0,0,0|1,0,1]=4 1255 B5R0.3 C(C(CS)O)O T109441 [1,1,0,0,0,0|1,0,1]=4 1256 B5R0.3 C(C(CS)O)O T109442 [1,1,0,0,0,0|1,0,1]=4 1257 B5R0.3 C(C(CS)O)O T141418 [1,1,0,0,0,0|1,0,1]=4 1258 B5R0.3 C(C(CS)S)O D106477 [1,1,0,0,0,0|1,0,1]=4 1259 B5R0.3 C(C(CS)S)O D424962 [1,1,0,0,0,0|1,0,1]=4 1260 B5R0.3 C=CC(CCl)Cl D155424 [1,1,0,0,0,0|1,0,1]=4 1261 B5R0.3 C=CC(CO)O B589259 [1,1,0,0,0,0|1,0,1]=4 1262 B5R0.3 CC(C=C)C#N M158306 [1,1,0,0,0,0|0,0,2]=4 1263 B5R0.3 CC(CN)CO A483603 [1,1,0,0,0,0|0,0,1]=3 1264 B5R0.3 CC(CO)CBr R469876 [1,1,0,0,0,0|0,0,1]=3 1265 B5R0.3 CC(CO)CBr S469920 [1,1,0,0,0,0|0,0,1]=3 1266 B5R0.3 CC(CO)CO M141411 [1,1,0,0,0,0|0,0,1]=3 1267 B5R0.3 CC(CO)OC R194193 [1,1,0,0,0,0|0,0,1]=3 1268 B5R0.3 CC(OC)OC D155919 [1,1,0,0,0,0|1,0,1]=4 1269 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|0,0,1]=3 1270 B5R0.3 CCC(=C)C=O E189230 [1,1,0,0,0,0|0,0,2]=4 1271 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|0,0,2]=4 1272 B5R0.3 CCC(C)C#N M158304 [1,1,0,0,0,0|0,0,2]=4 1273 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|0,0,1]=3 1274 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|0,0,0]=2 1275 B5R0.3 CCC(C)CBr B120302 [1,1,0,0,0,0|0,0,1]=3 1276 B5R0.3 CCC(C)CBr B188983 [1,1,0,0,0,0|0,0,1]=3 1277 B5R0.3 CCC(C)CC M109051 [1,1,0,0,0,0|0,0,1]=3 1278 B5R0.3 CCC(C)CC M109052 [1,1,0,0,0,0|0,0,1]=3 1279 B5R0.3 CCC(C)CCl C153548 [1,1,0,0,0,0|0,0,1]=3 1280 B5R0.3 CCC(C)CCl S160982 [1,1,0,0,0,0|0,0,1]=3 1281 B5R0.3 CCC(C)CI I157547 [1,1,0,0,0,0|0,0,1]=3 1282 B5R0.3 CCC(C)CN S467250 [1,1,0,0,0,0|0,0,1]=3 1283 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|0,0,1]=3 1284 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|0,0,1]=3 1285 B5R0.3 CCC(C)CS M103069 [1,1,0,0,0,0|0,0,1]=3 1286 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|0,0,1]=3 1287 B5R0.3 CCC(C=C)O P160532 [1,1,0,0,0,0|1,0,1]=4 1288 B5R0.3 CCC(CBr)Br D102336 [1,1,0,0,0,0|1,0,1]=4 1289 B5R0.3 CCC(CBr)O B152045 [1,1,0,0,0,0|1,0,1]=4 1290 B5R0.3 CCC(CC)Br B106965 [1,1,0,0,0,0|1,0,1]=4 1291 B5R0.3 CCC(CC)N A133949 [1,1,0,0,0,0|1,0,1]=4 1292 B5R0.3 CCC(CC)O P109359 [1,1,0,0,0,0|1,0,1]=4 1293 B5R0.3 CCC(CCl)Cl D155318 [1,1,0,0,0,0|1,0,1]=4 1294 B5R0.3 CCC(CN)O A151121 [1,1,0,0,0,0|1,0,1]=4 1295 B5R0.3 CCC(CO)N A106025 [1,1,0,0,0,0|1,0,1]=4 1296 B5R0.3 CCC(CO)N A107264 [1,1,0,0,0,0|1,0,1]=4 1297 B5R0.3 CCC(CO)N A107265 [1,1,0,0,0,0|1,0,1]=4 1298 B5R0.3 CCC(CO)O B153217 [1,1,0,0,0,0|1,0,1]=4 1299 B5R0.3 CCC(CO)O B300651 [1,1,0,0,0,0|1,0,1]=4 1300 B5R0.3 CCC(CO)O R160952 [1,1,0,0,0,0|1,0,1]=4 1301 B5R0.3 CCC(CO)O S161003 [1,1,0,0,0,0|1,0,1]=4 1302 B5R0.3 CCC(CS)S B152748 [1,1,0,0,0,0|1,0,1]=4 1303 B5R0.3 CCN(C)CC N159249 [1,1,0,0,0,0|1,0,1]=4 1304 B5R0.3 CCN(C)N=O N114391 [1,1,0,0,0,0|2,0,0]=4 1305 B5R0.3 CC[Si](C)CC D337339 [1,1,0,0,0,0|0,1,1]=4 1306 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|1,0,0]=3 1307 B5R0.4 C(=O)C(Br)(Br)Br B151878 [1,1,0,0,0,0|2,0,0]=4 1308 B5R0.4 C(=O)C(Cl)(Br)Br C388500 [1,1,0,0,0,0|2,0,0]=4 1309 B5R0.4 C(=O)C(Cl)(Cl)Cl C154049 [1,1,0,0,0,0|2,0,0]=4 1310 B5R0.4 CC(C)(C#C)Cl W132347 [1,1,0,0,0,0|0,0,2]=4 1311 B5R0.4 CC(C)(C#C)N M138627 [1,1,0,0,0,0|0,0,2]=4 1312 B5R0.4 CC(C)(C#C)O M107736 [1,1,0,0,0,0|0,0,2]=4 1313 B5R0.4 CC(C)(C#N)I I157654 [1,1,0,0,0,0|1,0,1]=4 1314 B5R0.4 CC(C)(C#N)N A184859 [1,1,0,0,0,0|1,0,1]=4 1315 B5R0.4 CC(C)(C)C#N P160477 [1,1,0,0,0,0|1,0,1]=4 1316 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|0,0,1]=3 1317 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|0,0,0]=2 1318 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|0,0,0]=2 1319 B5R0.4 CC(C)(C)CBr B472553 [1,1,0,0,0,0|1,0,0]=3 1320 B5R0.4 CC(C)(C)CN D191210 [1,1,0,0,0,0|1,0,0]=3 1321 B5R0.4 CC(C)(C)CN N159082 [1,1,0,0,0,0|1,0,0]=3 1322 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|0,0,1]=3 1323 B5R0.4 CC(C)(C)N=[Ta] T283059 [1,1,0,0,0,0|2,0,0]=4 1324 B5R0.4 CC(C)(C)NC N339191 [1,1,0,0,0,0|1,0,1]=4 1325 B5R0.4 CC(C)(C)NN I135282 [1,1,0,0,0,0|2,0,0]=4 1326 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|1,0,1]=4 1327 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|1,0,1]=4 1328 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|1,0,1]=4 1329 B5R0.4 CC(C)(C)OC B108113 [1,1,0,0,0,0|1,0,1]=4 1330 B5R0.4 CC(C)(C)OC B108114 [1,1,0,0,0,0|1,0,1]=4 1331 B5R0.4 CC(C)(C)OC B108115 [1,1,0,0,0,0|1,0,1]=4 1332 B5R0.4 CC(C)(C)OC B108116 [1,1,0,0,0,0|1,0,1]=4 1333 B5R0.4 CC(C)(C)OC B108117 [1,1,0,0,0,0|1,0,1]=4 1334 B5R0.4 CC(C)(C)OC B108119 [1,1,0,0,0,0|1,0,1]=4 1335 B5R0.4 CC(C)(C)OC B108120 [1,1,0,0,0,0|1,0,1]=4 1336 B5R0.4 CC(C)(C)OC B108121 [1,1,0,0,0,0|1,0,1]=4 1337 B5R0.4 CC(C)(C)OC B119671 [1,1,0,0,0,0|1,0,1]=4 1338 B5R0.4 CC(C)(C)OC T432179 [1,1,0,0,0,0|1,0,1]=4 1339 B5R0.4 CC(C)(C)ON O135125 [1,1,0,0,0,0|2,0,0]=4 1340 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|1,0,1]=4 1341 B5R0.4 CC(C)(C)[N+]#[C-] B106836 [1,1,0,0,0,0|1,0,1]=4 1342 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|0,0,1]=3 1343 B5R0.4 CC(C)(CBr)Br D472522 [1,1,0,0,0,0|1,0,0]=3 1344 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|1,0,0]=3 1345 B5R0.4 CC(C)(CCl)Cl D589600 [1,1,0,0,0,0|1,0,0]=3 1346 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|1,0,0]=3 1347 B5R0.4 CC(C)(CN)N D155077 [1,1,0,0,0,0|1,0,0]=3 1348 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|1,0,0]=3 1349 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|0,0,1]=3 1350 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|0,0,1]=3 1351 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|0,0,1]=3 1352 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|0,0,1]=3 1353 B5R0.4 CC(CN)(F)F D195429 [1,1,0,0,0,0|2,0,0]=4 1354 B5R0.4 CC(CO)(F)F D169652 [1,1,0,0,0,0|1,0,1]=4 1355 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|0,0,1]=3 1356 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|0,0,1]=3 1357 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|0,0,1]=3 1358 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|0,0,1]=3 1359 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|0,0,1]=3 1360 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|0,0,1]=3 1361 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|0,0,1]=3 1362 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|0,0,1]=3 1363 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|0,0,1]=3 1364 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|0,0,1]=3 1365 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|0,0,1]=3 1366 B5R0.4 CCC(C)(Cl)Cl D155312 [1,1,0,0,0,0|1,0,1]=4 1367 B5R0.4 CC[N+](C)(C)C E156357 [1,1,0,0,0,0|1,0,1]=4 1368 B5R0.4 CC[Si](C)(C)Cl D155943 [1,1,0,0,0,0|0,1,1]=4 1369 B5R0.4 C[N+](C)(C)C=C T161689 [1,1,0,0,0,0|1,0,1]=4 1370 B5R0.4 C[Si](C)(C)C=C N124096 [1,1,0,0,0,0|0,1,1]=4 1371 B5R0.4 C[Si](C)(C)C=C V111798 [1,1,0,0,0,0|0,1,1]=4 1372 B5R0.4 C[Si](C)(C)CBr B152736 [1,1,0,0,0,0|1,1,0]=4 1373 B5R0.4 C[Si](C)(C)CCl C115785 [1,1,0,0,0,0|1,1,0]=4 1374 B5R0.4 C[Si](C)(C)CI I107729 [1,1,0,0,0,0|1,1,0]=4 1375 B5R0.4 C[Si](C)(C)CO T161625 [1,1,0,0,0,0|0,1,1]=4 1376 B5R0.4 C[Si](C)(C=C)Cl C153511 [1,1,0,0,0,0|0,1,1]=4 1377 B5R0.4 C[Si](C)(CCl)Cl C131795 [1,1,0,0,0,0|1,1,0]=4 1378 B5R0.5 B(C(C)C)(O)O I120299 [1,1,0,0,0,0|1,0,1]=4 1379 B5R0.5 C(C(=O)Cl)(Cl)Cl D106078 [1,1,0,0,0,0|2,0,0]=4 1380 B5R0.5 C(C(=O)N)(Cl)Cl D137671 [1,1,0,0,0,0|2,0,0]=4 1381 B5R0.5 C(C(=O)N)(F)F D184006 [1,1,0,0,0,0|2,0,0]=4 1382 B5R0.5 C(C(=O)O)(Br)Br D304215 [1,1,0,0,0,0|2,0,0]=4 1383 B5R0.5 C(C(=O)O)(Cl)Br B338271 [1,1,0,0,0,0|2,0,0]=4 1384 B5R0.5 C(C(=O)O)(Cl)Br K304415 [1,1,0,0,0,0|2,0,0]=4 1385 B5R0.5 C(C(=O)O)(Cl)Cl D104244 [1,1,0,0,0,0|2,0,0]=4 1386 B5R0.5 C(C(=O)O)(Cl)Cl D305467 [1,1,0,0,0,0|2,0,0]=4 1387 B5R0.5 C(C(=O)O)(Cl)Cl D472033 [1,1,0,0,0,0|2,0,0]=4 1388 B5R0.5 C(C(=O)O)(F)F D102056 [1,1,0,0,0,0|2,0,0]=4 1389 B5R0.5 C(C(=O)[O-])(Cl)Cl S161074 [1,1,0,0,0,0|2,0,0]=4 1390 B5R0.5 C(C(=O)[O-])(Cl)Cl S161233 [1,1,0,0,0,0|2,0,0]=4 1391 B5R0.5 C(C(=O)[O-])(Cl)Cl S422596 [1,1,0,0,0,0|2,0,0]=4 1392 B5R0.5 C(C(=O)[O-])(F)F L355087 [1,1,0,0,0,0|2,0,0]=4 1393 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|1,0,1]=4 1394 B5R0.5 CC(=C)C(=O)C I107938 [1,1,0,0,0,0|0,0,2]=4 1395 B5R0.5 CC(=C)C(=O)Cl M109517 [1,1,0,0,0,0|0,0,2]=4 1396 B5R0.5 CC(=C)C(=O)Cl M299463 [1,1,0,0,0,0|0,0,2]=4 1397 B5R0.5 CC(=C)C(=O)N M104042 [1,1,0,0,0,0|0,0,2]=4 1398 B5R0.5 CC(=C)C(=O)O M102640 [1,1,0,0,0,0|0,0,2]=4 1399 B5R0.5 CC(=C)C(=O)O M102641 [1,1,0,0,0,0|0,0,2]=4 1400 B5R0.5 CC(=C)C(=O)O M102642 [1,1,0,0,0,0|0,0,2]=4 1401 B5R0.5 CC(=C)C(=O)O M434201 [1,1,0,0,0,0|0,0,2]=4 1402 B5R0.5 CC(=C)C(=O)[O-] C347801 [1,1,0,0,0,0|0,0,2]=4 1403 B5R0.5 CC(=C)C(=O)[O-] P304402 [1,1,0,0,0,0|0,0,2]=4 1404 B5R0.5 CC(=C)C(=O)[O-] P580750 [1,1,0,0,0,0|0,0,2]=4 1405 B5R0.5 CC(=C)C(=O)[O-] S103167 [1,1,0,0,0,0|0,0,2]=4 1406 B5R0.5 CC(=C)C(=O)[O-] Z102681 [1,1,0,0,0,0|0,0,2]=4 1407 B5R0.5 CC(=C)C(O)=O P477951 [1,1,0,0,0,0|0,0,2]=4 1408 B5R0.5 CC(=O)C(=O)C B104601 [1,1,0,0,0,0|1,0,1]=4 1409 B5R0.5 CC(=O)C(=O)C B104602 [1,1,0,0,0,0|1,0,1]=4 1410 B5R0.5 CC(=O)C(=O)C B104603 [1,1,0,0,0,0|1,0,1]=4 1411 B5R0.5 CC(=O)C(=O)C B432715 [1,1,0,0,0,0|1,0,1]=4 1412 B5R0.5 CC(=O)C(=O)O P104136 [1,1,0,0,0,0|1,0,1]=4 1413 B5R0.5 CC(=O)C(=O)O P104138 [1,1,0,0,0,0|1,0,1]=4 1414 B5R0.5 CC(=O)C(=O)O P421121 [1,1,0,0,0,0|1,0,1]=4 1415 B5R0.5 CC(=O)C(=O)[O-] C135949 [1,1,0,0,0,0|1,0,1]=4 1416 B5R0.5 CC(=O)C(=O)[O-] L157766 [1,1,0,0,0,0|1,0,1]=4 1417 B5R0.5 CC(=O)C(=O)[O-] P332759 [1,1,0,0,0,0|1,0,1]=4 1418 B5R0.5 CC(=O)C(=O)[O-] S104174 [1,1,0,0,0,0|1,0,1]=4 1419 B5R0.5 CC(=O)C(=O)[O-] S345696 [1,1,0,0,0,0|1,0,1]=4 1420 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|1,0,0]=3 1421 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|1,0,0]=3 1422 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|1,0,0]=3 1423 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|1,0,0]=3 1424 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|1,0,0]=3 1425 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|1,0,0]=3 1426 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|1,0,0]=3 1427 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|1,0,0]=3 1428 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|1,1,0]=4 1429 B5R0.5 CC(C(=O)Br)Br B106918 [1,1,0,0,0,0|1,0,0]=3 1430 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|1,0,0]=3 1431 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|1,0,0]=3 1432 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|1,0,0]=3 1433 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|1,0,0]=3 1434 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|1,0,0]=3 1435 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|1,0,0]=3 1436 B5R0.5 CC(C(=O)Cl)Br B119905 [1,1,0,0,0,0|1,0,0]=3 1437 B5R0.5 CC(C(=O)Cl)Cl C102420 [1,1,0,0,0,0|1,0,0]=3 1438 B5R0.5 CC(C(=O)Cl)Cl C401784 [1,1,0,0,0,0|1,0,0]=3 1439 B5R0.5 CC(C(=O)N)Br B474352 [1,1,0,0,0,0|1,0,0]=3 1440 B5R0.5 CC(C(=O)N)Cl C169221 [1,1,0,0,0,0|1,0,0]=3 1441 B5R0.5 CC(C(=O)N)N A117207 [1,1,0,0,0,0|1,0,0]=3 1442 B5R0.5 CC(C(=O)N)N H589984 [1,1,0,0,0,0|1,0,0]=3 1443 B5R0.5 CC(C(=O)N)N R192946 [1,1,0,0,0,0|1,0,0]=3 1444 B5R0.5 CC(C(=O)N)O R139052 [1,1,0,0,0,0|1,0,0]=3 1445 B5R0.5 CC(C(=O)N)O S469819 [1,1,0,0,0,0|1,0,0]=3 1446 B5R0.5 CC(C(=O)O)Br B106080 [1,1,0,0,0,0|1,0,0]=3 1447 B5R0.5 CC(C(=O)O)Br B106920 [1,1,0,0,0,0|1,0,0]=3 1448 B5R0.5 CC(C(=O)O)Br R160937 [1,1,0,0,0,0|1,0,0]=3 1449 B5R0.5 CC(C(=O)O)Cl C106527 [1,1,0,0,0,0|1,0,0]=3 1450 B5R0.5 CC(C(=O)O)Cl C109467 [1,1,0,0,0,0|1,0,0]=3 1451 B5R0.5 CC(C(=O)O)Cl C140796 [1,1,0,0,0,0|1,0,0]=3 1452 B5R0.5 CC(C(=O)O)Cl R160939 [1,1,0,0,0,0|1,0,0]=3 1453 B5R0.5 CC(C(=O)O)F F469437 [1,1,0,0,0,0|1,0,0]=3 1454 B5R0.5 CC(C(=O)O)N A100051 [1,1,0,0,0,0|1,0,0]=3 1455 B5R0.5 CC(C(=O)O)N A108263 [1,1,0,0,0,0|1,0,0]=3 1456 B5R0.5 CC(C(=O)O)N A109095 [1,1,0,0,0,0|1,0,0]=3 1457 B5R0.5 CC(C(=O)O)N A117757 [1,1,0,0,0,0|1,0,0]=3 1458 B5R0.5 CC(C(=O)O)N A117758 [1,1,0,0,0,0|1,0,0]=3 1459 B5R0.5 CC(C(=O)O)N A118860 [1,1,0,0,0,0|1,0,0]=3 1460 B5R0.5 CC(C(=O)O)N D423466 [1,1,0,0,0,0|1,0,0]=3 1461 B5R0.5 CC(C(=O)O)N D472023 [1,1,0,0,0,0|1,0,0]=3 1462 B5R0.5 CC(C(=O)O)N D474151 [1,1,0,0,0,0|1,0,0]=3 1463 B5R0.5 CC(C(=O)O)N L424776 [1,1,0,0,0,0|1,0,0]=3 1464 B5R0.5 CC(C(=O)O)N S432937 [1,1,0,0,0,0|1,0,0]=3 1465 B5R0.5 CC(C(=O)O)O L107595 [1,1,0,0,0,0|1,0,0]=3 1466 B5R0.5 CC(C(=O)O)O L107596 [1,1,0,0,0,0|1,0,0]=3 1467 B5R0.5 CC(C(=O)O)O L108839 [1,1,0,0,0,0|1,0,0]=3 1468 B5R0.5 CC(C(=O)O)O L108841 [1,1,0,0,0,0|1,0,0]=3 1469 B5R0.5 CC(C(=O)O)O L122089 [1,1,0,0,0,0|1,0,0]=3 1470 B5R0.5 CC(C(=O)O)O L122090 [1,1,0,0,0,0|1,0,0]=3 1471 B5R0.5 CC(C(=O)O)O L291729 [1,1,0,0,0,0|1,0,0]=3 1472 B5R0.5 CC(C(=O)O)O L291730 [1,1,0,0,0,0|1,0,0]=3 1473 B5R0.5 CC(C(=O)O)O L291731 [1,1,0,0,0,0|1,0,0]=3 1474 B5R0.5 CC(C(=O)O)O L291732 [1,1,0,0,0,0|1,0,0]=3 1475 B5R0.5 CC(C(=O)O)O L425989 [1,1,0,0,0,0|1,0,0]=3 1476 B5R0.5 CC(C(=O)O)O P169115 [1,1,0,0,0,0|1,0,0]=3 1477 B5R0.5 CC(C(=O)O)O S161106 [1,1,0,0,0,0|1,0,0]=3 1478 B5R0.5 CC(C(=O)O)S T162374 [1,1,0,0,0,0|1,0,0]=3 1479 B5R0.5 CC(C(=O)[O-])O A303861 [1,1,0,0,0,0|1,0,0]=3 1480 B5R0.5 CC(C(=O)[O-])O C110506 [1,1,0,0,0,0|1,0,0]=3 1481 B5R0.5 CC(C(=O)[O-])O C304709 [1,1,0,0,0,0|1,0,0]=3 1482 B5R0.5 CC(C(=O)[O-])O D304649 [1,1,0,0,0,0|1,0,0]=3 1483 B5R0.5 CC(C(=O)[O-])O I350723 [1,1,0,0,0,0|1,0,0]=3 1484 B5R0.5 CC(C(=O)[O-])O L104219 [1,1,0,0,0,0|1,0,0]=3 1485 B5R0.5 CC(C(=O)[O-])O L133140 [1,1,0,0,0,0|1,0,0]=3 1486 B5R0.5 CC(C(=O)[O-])O M305218 [1,1,0,0,0,0|1,0,0]=3 1487 B5R0.5 CC(C(=O)[O-])O P113770 [1,1,0,0,0,0|1,0,0]=3 1488 B5R0.5 CC(C(=O)[O-])O P305067 [1,1,0,0,0,0|1,0,0]=3 1489 B5R0.5 CC(C(=O)[O-])O S108837 [1,1,0,0,0,0|1,0,0]=3 1490 B5R0.5 CC(C(=O)[O-])O S108838 [1,1,0,0,0,0|1,0,0]=3 1491 B5R0.5 CC(C(=O)[O-])O S301759 [1,1,0,0,0,0|1,0,0]=3 1492 B5R0.5 CC(C(=O)[O-])O S302327 [1,1,0,0,0,0|1,0,0]=3 1493 B5R0.5 CC(C(=O)[O-])O S334655 [1,1,0,0,0,0|1,0,0]=3 1494 B5R0.5 CC(C(=O)[O-])O S426464 [1,1,0,0,0,0|1,0,0]=3 1495 B5R0.5 CC(C(=O)[O-])O S465689 [1,1,0,0,0,0|1,0,0]=3 1496 B5R0.5 CC(C(C)Cl)Cl D155309 [1,1,0,0,0,0|1,0,1]=4 1497 B5R0.5 CC(C(C)O)O B103428 [1,1,0,0,0,0|1,0,1]=4 1498 B5R0.5 CC(C(C)O)O B424414 [1,1,0,0,0,0|1,0,1]=4 1499 B5R0.5 CC(C(C)O)O R135716 [1,1,0,0,0,0|1,0,1]=4 1500 B5R0.5 CC(C(C)O)O R422817 [1,1,0,0,0,0|1,0,1]=4 1501 B5R0.5 CC(C(C)O)O R470710 [1,1,0,0,0,0|1,0,1]=4 1502 B5R0.5 CC(C(C)O)O S160997 [1,1,0,0,0,0|1,0,1]=4 1503 B5R0.5 CC(C(C)S)O M102962 [1,1,0,0,0,0|1,0,1]=4 1504 B5R0.5 CC(C(C)S)O M158761 [1,1,0,0,0,0|1,0,1]=4 1505 B5R0.5 CC(C(C)S)S B102921 [1,1,0,0,0,0|1,0,1]=4 1506 B5R0.5 CC(C(Cl)Cl)Cl T162273 [1,1,0,0,0,0|2,0,0]=4 1507 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|0,0,1]=3 1508 B5R0.5 CC(C)C(=N)N I335550 [1,1,0,0,0,0|1,0,0]=3 1509 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,0,0]=2 1510 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,0,0]=2 1511 B5R0.5 CC(C)C(=O)Cl I107549 [1,1,0,0,0,0|0,0,0]=2 1512 B5R0.5 CC(C)C(=O)N I157612 [1,1,0,0,0,0|0,0,0]=2 1513 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|0,0,0]=2 1514 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|0,0,0]=2 1515 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|0,0,0]=2 1516 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|0,0,0]=2 1517 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|0,0,0]=2 1518 B5R0.5 CC(C)C(=O)[O-] P160181 [1,1,0,0,0,0|0,0,0]=2 1519 B5R0.5 CC(C)C(=S)N T140153 [1,1,0,0,0,0|0,1,0]=3 1520 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|0,0,1]=3 1521 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|0,0,1]=3 1522 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|0,0,1]=3 1523 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|0,0,1]=3 1524 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|0,0,1]=3 1525 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|0,0,1]=3 1526 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|0,0,1]=3 1527 B5R0.5 CC(C)N(C)C N159099 [1,1,0,0,0,0|1,0,1]=4 1528 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,1,0,0,0,0|1,0,0]=3 1529 B5R0.5 CC(C)[Si](C)C D356950 [1,1,0,0,0,0|0,1,1]=4 1530 B5R0.5 CN(C)C(=N)N D154660 [1,1,0,0,0,0|2,0,0]=4 1531 B5R0.5 CN(C)C(=O)Cl D106525 [1,1,0,0,0,0|1,0,0]=3 1532 B5R0.5 CN(C)C(=O)N D155381 [1,1,0,0,0,0|1,0,0]=3 1533 B5R0.5 CN(C)C(=S)Cl N135547 [1,1,0,0,0,0|1,1,0]=4 1534 B5R0.5 CN(C)C(=S)S D154695 [1,1,0,0,0,0|1,1,0]=4 1535 B5R0.5 CN(C)C(=S)[S-] C154089 [1,1,0,0,0,0|1,1,0]=4 1536 B5R0.5 CN(C)C(=S)[S-] F114609 [1,1,0,0,0,0|1,1,0]=4 1537 B5R0.5 CN(C)C(=S)[S-] F137780 [1,1,0,0,0,0|1,1,0]=4 1538 B5R0.5 CN(C)C(=S)[S-] S106280 [1,1,0,0,0,0|1,1,0]=4 1539 B5R0.5 CN(C)C(=S)[S-] Z162995 [1,1,0,0,0,0|1,1,0]=4 1540 B5R0.5 C[N+](=C(Cl)Cl)C D155316 [1,1,0,0,0,0|2,0,0]=4 1541 B5R0.2 C#CCCCCl C107731 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.2 C#CCCCI I465322 [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.2 C#CCCCO P106295 [1,1,0,0,0,0|1,0,1]=4 1544 B5R0.2 C(C#N)OC=O C153899 [1,1,0,0,0,0|1,0,1]=4 1545 B5R0.2 C(CBr)N=C=O B463144 [1,1,0,0,0,0|1,0,1]=4 1546 B5R0.2 C(CC#N)CBr B152157 [1,1,0,0,0,0|1,0,1]=4 1547 B5R0.2 C(CC#N)CCl C102368 [1,1,0,0,0,0|1,0,1]=4 1548 B5R0.2 C(CCBr)CBr D105749 [1,1,0,0,0,0|1,0,1]=4 1549 B5R0.2 C(CCBr)CCl B109690 [1,1,0,0,0,0|1,0,1]=4 1550 B5R0.2 C(CCBr)CF B122542 [1,1,0,0,0,0|1,0,1]=4 1551 B5R0.2 C(CCBr)CN B163034 [1,1,0,0,0,0|1,0,1]=4 1552 B5R0.2 C(CCBr)CO B136242 [1,1,0,0,0,0|0,0,2]=4 1553 B5R0.2 C(CCCl)CCl D103409 [1,1,0,0,0,0|1,0,1]=4 1554 B5R0.2 C(CCCl)CO C118833 [1,1,0,0,0,0|0,0,2]=4 1555 B5R0.2 C(CCI)CCl C153542 [1,1,0,0,0,0|1,0,1]=4 1556 B5R0.2 C(CCI)CI D155304 [1,1,0,0,0,0|1,0,1]=4 1557 B5R0.2 C(CCN)CN B292804 [1,1,0,0,0,0|1,0,1]=4 1558 B5R0.2 C(CCN)CN B304967 [1,1,0,0,0,0|1,0,1]=4 1559 B5R0.2 C(CCN)CN B492953 [1,1,0,0,0,0|1,0,1]=4 1560 B5R0.2 C(CCN)CN D106194 [1,1,0,0,0,0|1,0,1]=4 1561 B5R0.2 C(CCN)CN D423441 [1,1,0,0,0,0|1,0,1]=4 1562 B5R0.2 C(CCN)CN D472054 [1,1,0,0,0,0|1,0,1]=4 1563 B5R0.2 C(CCO)CN A109739 [1,1,0,0,0,0|0,0,2]=4 1564 B5R0.2 C(CCO)CO B110391 [1,1,0,0,0,0|0,0,2]=4 1565 B5R0.2 C(CCO)CO B110394 [1,1,0,0,0,0|0,0,2]=4 1566 B5R0.2 C(CCO)CO B110395 [1,1,0,0,0,0|0,0,2]=4 1567 B5R0.2 C(CCS)CO M338696 [1,1,0,0,0,0|0,0,2]=4 1568 B5R0.2 C(CCS)CS B152757 [1,1,0,0,0,0|0,1,1]=4 1569 B5R0.2 C(CCS)CS B419814 [1,1,0,0,0,0|0,1,1]=4 1570 B5R0.2 C(CCl)N=C=O C106493 [1,1,0,0,0,0|1,0,1]=4 1571 B5R0.2 C=CCCC#N P160479 [1,1,0,0,0,0|1,0,1]=4 1572 B5R0.2 C=CCCC=C C118545 [1,1,0,0,0,0|1,0,1]=4 1573 B5R0.2 C=CCCC=C H106694 [1,1,0,0,0,0|1,0,1]=4 1574 B5R0.2 C=CCCCBr B107734 [1,1,0,0,0,0|1,0,0]=3 1575 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|1,0,0]=3 1576 B5R0.2 C=COCCO E135293 [1,1,0,0,0,0|2,0,0]=4 1577 B5R0.2 CC=CCC=C H157263 [1,1,0,0,0,0|1,0,1]=4 1578 B5R0.2 CC=CCC=C T162375 [1,1,0,0,0,0|1,0,1]=4 1579 B5R0.2 CCC=CC#N P160478 [1,1,0,0,0,0|1,0,1]=4 1580 B5R0.2 CCC=CC=O T161487 [1,1,0,0,0,0|0,0,1]=3 1581 B5R0.2 CCC=CCC C153487 [1,1,0,0,0,0|1,0,1]=4 1582 B5R0.2 CCC=CCC H157267 [1,1,0,0,0,0|1,0,1]=4 1583 B5R0.2 CCC=CCC T162372 [1,1,0,0,0,0|1,0,1]=4 1584 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|0,0,2]=4 1585 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|0,0,2]=4 1586 B5R0.2 CCCC#CC H157356 [1,1,0,0,0,0|1,0,1]=4 1587 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|1,0,0]=3 1588 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|1,0,0]=3 1589 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|1,0,0]=3 1590 B5R0.2 CCCC=NO B152406 [1,1,0,0,0,0|0,0,1]=3 1591 B5R0.2 CCCCC#C H106703 [1,1,0,0,0,0|1,0,1]=4 1592 B5R0.2 CCCCC#N B100431 [1,1,0,0,0,0|1,0,1]=4 1593 B5R0.2 CCCCC#N B100432 [1,1,0,0,0,0|1,0,1]=4 1594 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|1,0,0]=3 1595 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|1,0,0]=3 1596 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|1,0,0]=3 1597 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|1,0,0]=3 1598 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|0,0,0]=2 1599 B5R0.2 CCCCCBr B104782 [1,1,0,0,0,0|1,0,1]=4 1600 B5R0.2 CCCCCBr B305762 [1,1,0,0,0,0|1,0,1]=4 1601 B5R0.2 CCCCCC H100107 [1,1,0,0,0,0|1,0,1]=4 1602 B5R0.2 CCCCCC H109653 [1,1,0,0,0,0|1,0,1]=4 1603 B5R0.2 CCCCCC H109654 [1,1,0,0,0,0|1,0,1]=4 1604 B5R0.2 CCCCCC H109656 [1,1,0,0,0,0|1,0,1]=4 1605 B5R0.2 CCCCCC H109659 [1,1,0,0,0,0|1,0,1]=4 1606 B5R0.2 CCCCCC H119662 [1,1,0,0,0,0|1,0,1]=4 1607 B5R0.2 CCCCCC H121283 [1,1,0,0,0,0|1,0,1]=4 1608 B5R0.2 CCCCCC H140380 [1,1,0,0,0,0|1,0,1]=4 1609 B5R0.2 CCCCCC H298923 [1,1,0,0,0,0|1,0,1]=4 1610 B5R0.2 CCCCCC N431441 [1,1,0,0,0,0|1,0,1]=4 1611 B5R0.2 CCCCCCl C109473 [1,1,0,0,0,0|1,0,1]=4 1612 B5R0.2 CCCCCCl C109474 [1,1,0,0,0,0|1,0,1]=4 1613 B5R0.2 CCCCCF F171115 [1,1,0,0,0,0|1,0,1]=4 1614 B5R0.2 CCCCCI I104798 [1,1,0,0,0,0|1,0,1]=4 1615 B5R0.2 CCCCCN A105343 [1,1,0,0,0,0|1,0,1]=4 1616 B5R0.2 CCCCCN P292685 [1,1,0,0,0,0|1,0,1]=4 1617 B5R0.2 CCCCCN P292697 [1,1,0,0,0,0|1,0,1]=4 1618 B5R0.2 CCCCCN P292701 [1,1,0,0,0,0|1,0,1]=4 1619 B5R0.2 CCCCCN P494144 [1,1,0,0,0,0|1,0,1]=4 1620 B5R0.2 CCCCCO N350217 [1,1,0,0,0,0|0,0,2]=4 1621 B5R0.2 CCCCCO P108125 [1,1,0,0,0,0|0,0,2]=4 1622 B5R0.2 CCCCCO P108126 [1,1,0,0,0,0|0,0,2]=4 1623 B5R0.2 CCCCCO P108127 [1,1,0,0,0,0|0,0,2]=4 1624 B5R0.2 CCCCCO P108128 [1,1,0,0,0,0|0,0,2]=4 1625 B5R0.2 CCCCCO P108129 [1,1,0,0,0,0|0,0,2]=4 1626 B5R0.2 CCCCCO P108130 [1,1,0,0,0,0|0,0,2]=4 1627 B5R0.2 CCCCCS A100028 [1,1,0,0,0,0|0,1,1]=4 1628 B5R0.2 CCCCOC B152821 [1,1,0,0,0,0|0,0,2]=4 1629 B5R0.2 CCCCON O184596 [1,1,0,0,0,0|0,0,2]=4 1630 B5R0.2 CCCCSC B152508 [1,1,0,0,0,0|0,1,1]=4 1631 B5R0.2 CCCC[Sn]Cl B302420 [1,1,0,0,0,0|1,0,1]=4 1632 B5R0.2 CCCN=C=S P140610 [1,1,0,0,0,0|0,1,1]=4 1633 B5R0.2 CCCNCC N159096 [1,1,0,0,0,0|1,0,1]=4 1634 B5R0.2 CCCOC=C P137362 [1,1,0,0,0,0|1,0,0]=3 1635 B5R0.2 CCCOC=O P160055 [1,1,0,0,0,0|0,0,0]=2 1636 B5R0.2 CCCOCC E156162 [1,1,0,0,0,0|1,0,1]=4 1637 B5R0.2 CCCSCC E134963 [1,1,0,0,0,0|1,0,1]=4 1638 B5R0.2 CCCSSC M103114 [1,1,0,0,0,0|1,1,0]=4 1639 B5R0.2 CCNCCN N138023 [1,1,0,0,0,0|1,0,1]=4 1640 B5R0.2 CCNCCO E156112 [1,1,0,0,0,0|0,0,2]=4 1641 B5R0.2 CCNCCO E301665 [1,1,0,0,0,0|0,0,2]=4 1642 B5R0.2 CCOC=CC E122346 [1,1,0,0,0,0|1,0,1]=4 1643 B5R0.2 CCOCC=C A151091 [1,1,0,0,0,0|1,0,0]=3 1644 B5R0.2 CCOCCBr B152837 [1,1,0,0,0,0|1,0,1]=4 1645 B5R0.2 CCOCCCl C153264 [1,1,0,0,0,0|1,0,1]=4 1646 B5R0.2 CCOCCN E156296 [1,1,0,0,0,0|1,0,1]=4 1647 B5R0.2 CCOCCO E110821 [1,1,0,0,0,0|0,0,2]=4 1648 B5R0.2 CCOCCO E110822 [1,1,0,0,0,0|0,0,2]=4 1649 B5R0.2 CCOCCO E118463 [1,1,0,0,0,0|0,0,2]=4 1650 B5R0.2 CCSCCCl C102885 [1,1,0,0,0,0|1,0,1]=4 1651 B5R0.2 CCSCCN E170901 [1,1,0,0,0,0|1,0,1]=4 1652 B5R0.2 CCSCCN E300178 [1,1,0,0,0,0|1,0,1]=4 1653 B5R0.2 CCSCCO E156428 [1,1,0,0,0,0|0,0,2]=4 1654 B5R0.2 CNCCC#N M104316 [1,1,0,0,0,0|1,0,1]=4 1655 B5R0.2 CNCCCN N104493 [1,1,0,0,0,0|1,0,1]=4 1656 B5R0.2 CNCCCO M133702 [1,1,0,0,0,0|0,0,2]=4 1657 B5R0.2 CNCCNC D106275 [1,1,0,0,0,0|2,0,0]=4 1658 B5R0.2 CNCCOC N159090 [1,1,0,0,0,0|2,0,0]=4 1659 B5R0.2 COCCC#N M158577 [1,1,0,0,0,0|1,0,1]=4 1660 B5R0.2 COCCCBr B136284 [1,1,0,0,0,0|1,0,1]=4 1661 B5R0.2 COCCCCl C108061 [1,1,0,0,0,0|1,0,1]=4 1662 B5R0.2 COCCCN M134485 [1,1,0,0,0,0|1,0,1]=4 1663 B5R0.2 COCCCN M587821 [1,1,0,0,0,0|1,0,1]=4 1664 B5R0.2 COCCCO M107732 [1,1,0,0,0,0|0,0,2]=4 1665 B5R0.2 COCCOC D299631 [1,1,0,0,0,0|2,0,0]=4 1666 B5R0.2 COCCOC E104387 [1,1,0,0,0,0|2,0,0]=4 1667 B5R0.2 COCCOC E104388 [1,1,0,0,0,0|2,0,0]=4 1668 B5R0.2 COCCOC E104391 [1,1,0,0,0,0|2,0,0]=4 1669 B5R0.2 COCCOC E119676 [1,1,0,0,0,0|2,0,0]=4 1670 B5R0.2 COCCOC I282413 [1,1,0,0,0,0|2,0,0]=4 1671 B5R0.2 COCCOC P107530 [1,1,0,0,0,0|2,0,0]=4 1672 B5R0.2 COCCOC P432396 [1,1,0,0,0,0|2,0,0]=4 1673 B5R0.2 COCCOC P432397 [1,1,0,0,0,0|2,0,0]=4 1674 B5R0.2 COCCOC P432398 [1,1,0,0,0,0|2,0,0]=4 1675 B5R0.2 CSCCC=O M109548 [1,1,0,0,0,0|0,0,0]=2 1676 B5R0.2 CSCCCN M158420 [1,1,0,0,0,0|1,0,1]=4 1677 B5R0.2 CSCCCO M102967 [1,1,0,0,0,0|0,0,2]=4 1678 B5R0.2 CSSCC=C M103119 [1,1,0,0,0,0|2,0,0]=4 1679 B5R0.2 ClCCOC=C V141139 [1,1,0,0,0,0|2,0,0]=4 1680 B5R0.2 OCCCCO P487355 [1,1,0,0,0,0|0,0,2]=4 1681 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,2,0,0,0,0|1,0,0]=3 1682 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,2,0,0,0,0|1,0,0]=3 1683 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,2,0,0,0,0|1,0,0]=3 1684 B7R0.2 CC(=CC(=O)OC)C M102001 [0,2,0,0,0,0|0,0,2]=4 1685 B7R0.2 CC(=O)CC(=O)OC M108598 [0,2,0,0,0,0|1,0,1]=4 1686 B7R0.2 CC(=O)CC(=O)OC M108599 [0,2,0,0,0,0|1,0,1]=4 1687 B7R0.2 CC(=O)CC(=O)OC M108601 [0,2,0,0,0,0|1,0,1]=4 1688 B7R0.2 CC(C)CC(=NO)C M302141 [0,2,0,0,0,0|0,0,1]=3 1689 B7R0.2 CC(C)CC(=O)OC M157988 [0,2,0,0,0,0|0,0,0]=2 1690 B7R0.2 CC(C)CC(C#C)O M157950 [0,2,0,0,0,0|0,0,2]=4 1691 B7R0.2 CC(C)CC(CO)N L117136 [0,2,0,0,0,0|0,0,2]=4 1692 B7R0.2 CC(C)CC(CO)N S133878 [0,2,0,0,0,0|0,0,2]=4 1693 B7R0.2 CC(C)NC(=O)C=C I106818 [0,2,0,0,0,0|1,0,0]=3 1694 B7R0.2 CC(C)NC(=O)C=C P303215 [0,2,0,0,0,0|1,0,0]=3 1695 B7R0.2 CC(C)NC(=O)C=C P432408 [0,2,0,0,0,0|1,0,0]=3 1696 B7R0.2 CC(C)NC(=O)CBr B194928 [0,2,0,0,0,0|1,0,0]=3 1697 B7R0.2 CC(C)NC(=S)NN I405745 [0,2,0,0,0,0|1,1,0]=4 1698 B7R0.2 CC(C)OC(=O)C=C I589892 [0,2,0,0,0,0|1,0,0]=3 1699 B7R0.2 CC(C)OC(=O)CCl I157694 [0,2,0,0,0,0|1,0,0]=3 1700 B7R0.2 CC(CC(=O)OC)N R190811 [0,2,0,0,0,0|1,0,0]=3 1701 B7R0.2 CC(CC(=O)OC)N S587134 [0,2,0,0,0,0|1,0,0]=3 1702 B7R0.2 CC(CC(=O)OC)O H124084 [0,2,0,0,0,0|1,0,0]=3 1703 B7R0.2 CC(CC(=O)OC)O H124101 [0,2,0,0,0,0|1,0,0]=3 1704 B7R0.2 CC(CN(C)C)CCl D134652 [0,2,0,0,0,0|2,0,0]=4 1705 B7R0.2 CCC(=O)CC(=O)C H192611 [0,2,0,0,0,0|1,0,1]=4 1706 B7R0.2 CCC(=O)CC(C)C E156458 [0,2,0,0,0,0|0,0,0]=2 1707 B7R0.2 CCC(=O)OC(C)C I157496 [0,2,0,0,0,0|1,0,0]=3 1708 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|0,0,0]=2 1709 B7R0.2 CCC(C)CC(C)C D155187 [0,2,0,0,0,0|1,0,1]=4 1710 B7R0.2 CCC(C)CC(C)N D135535 [0,2,0,0,0,0|1,0,1]=4 1711 B7R0.2 CCC(C)OC(=O)C B108576 [0,2,0,0,0,0|1,0,0]=3 1712 B7R0.2 CCC(C)OC(=O)C B108578 [0,2,0,0,0,0|1,0,0]=3 1713 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,2,0,0,0,0|1,0,0]=3 1714 B7R0.2 CCC(CC(=O)O)N A191758 [0,2,0,0,0,0|1,0,0]=3 1715 B7R0.2 CCC(CC(=O)O)N I167296 [0,2,0,0,0,0|1,0,0]=3 1716 B7R0.2 CN(C)CC(=O)OC N304465 [0,2,0,0,0,0|1,0,0]=3 1717 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,2,0,0,0,0|1,0,1]=4 1718 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,2,0,0,0,0|1,0,1]=4 1719 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,2,0,0,0,0|1,0,1]=4 1720 B7R0.2 COC(=O)CC(=O)O M132669 [0,2,0,0,0,0|1,0,1]=4 1721 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,2,0,0,0,0|1,0,1]=4 1722 B7R0.3 CC(CCCN)CN M158599 [0,2,0,0,0,0|1,0,1]=4 1723 B7R0.3 CC(CO)OCC#C P579546 [0,2,0,0,0,0|1,0,1]=4 1724 B7R0.3 CCC(C=CC=O)O E347259 [0,2,0,0,0,0|1,0,1]=4 1725 B7R0.3 CCCCC(C)CC M113650 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.3 CCCNC(C)CC N158968 [0,2,0,0,0,0|1,0,1]=4 1727 B7R0.5 CC(C(=O)O)NC=O N159048 [0,2,0,0,0,0|1,0,1]=4 1728 B7R0.5 CC(C)C(CCO)N A348373 [0,2,0,0,0,0|0,0,2]=4 1729 B7R0.5 CC(CC=C)C(=O)O M111848 [0,2,0,0,0,0|1,0,1]=4 1730 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|1,0,1]=4 1731 B7R0.5 CCCC(C)C(C)C D155209 [0,2,0,0,0,0|1,0,1]=4 1732 B7R0.7 CC(CCO)CCO M157872 [0,2,0,0,0,0|0,0,2]=4 1733 B7R0.7 CCCC(C)CCC M113651 [0,2,0,0,0,0|1,0,1]=4 1734 B7R0.7 CN(CC=C)CC=C D123282 [0,2,0,0,0,0|2,0,0]=4 1735 B7R0.10 C(C(C(C=O)O)O)O E120857 [0,2,0,0,0,0|1,0,0]=3 1736 B7R0.10 CCC(C(C)CO)S M404750 [0,2,0,0,0,0|1,0,1]=4 1737 B7R0.10 CCC(C)C(CO)N I117134 [0,2,0,0,0,0|0,0,2]=4 1738 B7R0.11 CC(C)(CC=C)C=O D299504 [0,2,0,0,0,0|1,0,0]=3 1739 B7R0.11 CC(C)(CCO)OC M158753 [0,2,0,0,0,0|0,0,2]=4 1740 B7R0.11 CCCC(C)(C)C#N D154620 [0,2,0,0,0,0|1,0,1]=4 1741 B7R0.11 C[Si](C)(CC=C)CCl A109763 [0,2,0,0,0,0|1,1,0]=4 1742 B7R0.11 C[Si](C)(CC=C)CCl A151177 [0,2,0,0,0,0|1,1,0]=4 1743 B7R0.12 CNCC(OC)OC M102352 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.12 COC(CC#N)OC D154668 [0,2,0,0,0,0|1,0,1]=4 1745 B7R0.12 COC(CCBr)OC B153148 [0,2,0,0,0,0|1,0,1]=4 1746 B7R0.12 COC(CSC)OC M133839 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.12 COCC(OC)OC T162575 [0,2,0,0,0,0|2,0,0]=4 1748 B7R0.9 B(CC(C)(C)C)(O)O N290783 [0,2,0,0,0,0|1,0,1]=4 1749 B7R0.9 C(C(=O)O)C(F)(F)F T162557 [0,2,0,0,0,0|2,0,0]=4 1750 B7R0.9 CC(=C)CC(C)(C)C D106367 [0,2,0,0,0,0|1,0,0]=3 1751 B7R0.9 CC(=C)CC(C)(C)C D106368 [0,2,0,0,0,0|1,0,0]=3 1752 B7R0.9 CC(=C)C[Si](C)(C)C T300066 [0,2,0,0,0,0|1,1,0]=4 1753 B7R0.9 CC(=CC(C)(C)C)C T161796 [0,2,0,0,0,0|1,0,1]=4 1754 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,2,0,0,0,0|0,0,0]=2 1755 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,2,0,0,0,0|0,0,0]=2 1756 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,2,0,0,0,0|0,0,0]=2 1757 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,2,0,0,0,0|0,0,0]=2 1758 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,2,0,0,0,0|0,0,0]=2 1759 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,2,0,0,0,0|0,0,0]=2 1760 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,2,0,0,0,0|0,0,0]=2 1761 B7R0.9 CC(=O)CC(F)(F)F T478863 [0,2,0,0,0,0|2,0,0]=4 1762 B7R0.9 CC(=O)CS(=O)(=O)C M349447 [0,2,0,0,0,0|2,0,0]=4 1763 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,2,0,0,0,0|1,1,0]=4 1764 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,2,0,0,0,0|1,0,0]=3 1765 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,2,0,0,0,0|1,1,0]=4 1766 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,2,0,0,0,0|0,0,0]=2 1767 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,2,0,0,0,0|0,0,0]=2 1768 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,2,0,0,0,0|1,0,0]=3 1769 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,2,0,0,0,0|0,0,0]=2 1770 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,2,0,0,0,0|0,0,0]=2 1771 B7R0.9 CC(C)(CN(C)C)N A483225 [0,2,0,0,0,0|2,0,0]=4 1772 B7R0.9 CC(C)CC(C)(C)C I103236 [0,2,0,0,0,0|1,0,1]=4 1773 B7R0.9 CC(C)CC(C)(C)C I103237 [0,2,0,0,0,0|1,0,1]=4 1774 B7R0.9 CC(C)CC(C)(C)C I103239 [0,2,0,0,0,0|1,0,1]=4 1775 B7R0.9 CC(C)CC(C)(C)C I103242 [0,2,0,0,0,0|1,0,1]=4 1776 B7R0.9 CC(C)CC(C)(C)C I103243 [0,2,0,0,0,0|1,0,1]=4 1777 B7R0.9 CC(C)CC(C)(C)C I113065 [0,2,0,0,0,0|1,0,1]=4 1778 B7R0.9 CC(C)CC(C)(C)C I302016 [0,2,0,0,0,0|1,0,1]=4 1779 B7R0.9 CC(C)CC(C)(C)C I432868 [0,2,0,0,0,0|1,0,1]=4 1780 B7R0.9 CC(C)CC(C)(C)C T119681 [0,2,0,0,0,0|1,0,1]=4 1781 B7R0.9 CC(C)CC(C)(C)C T128777 [0,2,0,0,0,0|1,0,1]=4 1782 B7R0.9 CC(C)CS(=O)(=O)Cl I169853 [0,2,0,0,0,0|1,0,0]=3 1783 B7R0.9 CC(C)C[Si](C)(C)Cl C337179 [0,2,0,0,0,0|1,1,0]=4 1784 B7R0.9 CC(C)C[Si](C)(Cl)Cl D351843 [0,2,0,0,0,0|1,1,0]=4 1785 B7R0.9 CC(C)C[Si](Cl)(Cl)Cl I157467 [0,2,0,0,0,0|1,1,0]=4 1786 B7R0.9 CC(C)OS(=O)(=O)C I304987 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.9 CC(CC(C)(C)C)O D346243 [0,2,0,0,0,0|0,0,2]=4 1788 B7R0.9 CC(CC(C)(C)O)O M108565 [0,2,0,0,0,0|0,0,2]=4 1789 B7R0.9 CC(CC(C)(C)O)O M420527 [0,2,0,0,0,0|0,0,2]=4 1790 B7R0.9 CS(=O)(=O)CC(=O)O M336540 [0,2,0,0,0,0|2,0,0]=4 1791 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,2,0,0,0,0|1,0,0]=3 1792 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,2,0,0,0,0|1,0,0]=3 1793 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [0,2,0,0,0,0|1,0,0]=3 1794 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [0,2,0,0,0,0|1,0,0]=3 1795 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [0,2,0,0,0,0|1,0,0]=3 1796 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [0,2,0,0,0,0|1,0,0]=3 1797 B7R0.9 C[Si](C)(C)CC(=C)Br B152728 [0,2,0,0,0,0|1,1,0]=4 1798 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,2,0,0,0,0|0,1,0]=3 1799 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,2,0,0,0,0|1,0,1]=4 1800 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,2,0,0,0,0|1,0,0]=3 1801 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,2,0,0,0,0|1,0,0]=3 1802 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,2,0,0,0,0|1,0,0]=3 1803 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,2,0,0,0,0|1,0,0]=3 1804 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,2,0,0,0,0|1,0,0]=3 1805 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,2,0,0,0,0|1,0,0]=3 1806 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,2,0,0,0,0|1,0,0]=3 1807 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,2,0,0,0,0|1,0,0]=3 1808 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,2,0,0,0,0|1,0,0]=3 1809 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,2,0,0,0,0|1,0,0]=3 1810 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,2,0,0,0,0|0,0,1]=3 1811 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,2,0,0,0,0|0,0,1]=3 1812 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,2,0,0,0,0|0,0,1]=3 1813 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,2,0,0,0,0|0,0,1]=3 1814 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,2,0,0,0,0|0,0,1]=3 1815 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,2,0,0,0,0|0,0,0]=2 1816 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,2,0,0,0,0|0,0,0]=2 1817 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,2,0,0,0,0|0,0,0]=2 1818 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,2,0,0,0,0|0,0,0]=2 1819 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,2,0,0,0,0|0,0,0]=2 1820 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,2,0,0,0,0|0,0,0]=2 1821 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,2,0,0,0,0|0,0,0]=2 1822 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,2,0,0,0,0|0,0,0]=2 1823 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,2,0,0,0,0|0,0,0]=2 1824 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,2,0,0,0,0|0,0,0]=2 1825 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,2,0,0,0,0|0,0,0]=2 1826 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,2,0,0,0,0|0,0,0]=2 1827 B7R0.16 CC(C)C(C(C)C)O D154153 [0,2,0,0,0,0|1,0,1]=4 1828 B7R0.16 CC(C)C(C)C(C)C T161705 [0,2,0,0,0,0|1,0,1]=4 1829 B7R0.13 CC(C)C(C)(C#C)O D154148 [0,2,0,0,0,0|1,0,1]=4 1830 B7R0.14 CC(C)(C)C(CO)N I132198 [0,2,0,0,0,0|0,0,2]=4 1831 B7R0.14 CC(C)(C)C(CO)N S160987 [0,2,0,0,0,0|0,0,2]=4 1832 B7R0.15 CCN(C(C)C)N=O N587539 [0,2,0,0,0,0|2,0,0]=4 1833 B7R0.4 CC(C)CCOC=O I117534 [0,2,0,0,0,0|0,0,0]=2 1834 B7R0.4 CC(C)CCOC=O I137773 [0,2,0,0,0,0|0,0,0]=2 1835 B7R0.4 CC(C)CCON=O I106092 [0,2,0,0,0,0|0,0,1]=3 1836 B7R0.4 CC(C)CCON=O I106093 [0,2,0,0,0,0|0,0,1]=3 1837 B7R0.4 CC(C)COCCO E156429 [0,2,0,0,0,0|0,0,2]=4 1838 B7R0.4 CC(C)CSCCO I157607 [0,2,0,0,0,0|0,0,2]=4 1839 B7R0.4 CC(C)NCCCO I157484 [0,2,0,0,0,0|0,0,2]=4 1840 B7R0.4 CC(C)NCCOC N158963 [0,2,0,0,0,0|0,0,2]=4 1841 B7R0.4 CC(C)OCCC#N I165912 [0,2,0,0,0,0|1,0,1]=4 1842 B7R0.4 CC(C)OCCCN A133357 [0,2,0,0,0,0|1,0,1]=4 1843 B7R0.4 CCCCCC(C)C M113649 [0,2,0,0,0,0|1,0,1]=4 1844 B7R0.4 CCCCCC(C)C M406726 [0,2,0,0,0,0|1,0,1]=4 1845 B7R0.6 CC(=C)COC(=O)C M158238 [0,2,0,0,0,0|0,0,2]=4 1846 B7R0.6 CC(=NNC(=O)N)C A112969 [0,2,0,0,0,0|1,0,1]=4 1847 B7R0.6 CC(=O)CCC(=O)C H106697 [0,2,0,0,0,0|1,0,1]=4 1848 B7R0.6 CC(=O)CCC(=O)C H106698 [0,2,0,0,0,0|1,0,1]=4 1849 B7R0.6 CC(=O)CCC(=O)C H106699 [0,2,0,0,0,0|1,0,1]=4 1850 B7R0.6 CC(=O)CCC(=O)O L104281 [0,2,0,0,0,0|1,0,1]=4 1851 B7R0.6 CC(=O)CCC(=O)O L278641 [0,2,0,0,0,0|1,0,1]=4 1852 B7R0.6 CC(=O)CCC(=O)O L298748 [0,2,0,0,0,0|1,0,1]=4 1853 B7R0.6 CC(=O)CCC(=O)O L421026 [0,2,0,0,0,0|1,0,1]=4 1854 B7R0.6 CC(=O)COC(=O)C A151657 [0,2,0,0,0,0|1,0,1]=4 1855 B7R0.6 CC(=O)NCC(=O)O A103973 [0,2,0,0,0,0|1,0,1]=4 1856 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,2,0,0,0,0|1,0,1]=4 1857 B7R0.6 CC(=O)OCC(=O)O A167143 [0,2,0,0,0,0|1,0,1]=4 1858 B7R0.6 CC(=O)OCC(F)F D154397 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.6 CC(=O)SCC(=O)O S131714 [0,2,0,0,0,0|1,0,1]=4 1860 B7R0.6 CC(=S)NCC(=O)O N159832 [0,2,0,0,0,0|1,0,1]=4 1861 B7R0.6 CC(C)C=CC(=O)C M170732 [0,2,0,0,0,0|0,0,1]=3 1862 B7R0.6 CC(C)C=CC(=O)O M158379 [0,2,0,0,0,0|0,0,1]=3 1863 B7R0.6 CC(C)CC=C(C)C D155272 [0,2,0,0,0,0|1,0,0]=3 1864 B7R0.6 CC(C)CCC(=C)C D155278 [0,2,0,0,0,0|1,0,0]=3 1865 B7R0.6 CC(C)CCC(=O)C M106666 [0,2,0,0,0,0|0,0,0]=2 1866 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,2,0,0,0,0|0,0,0]=2 1867 B7R0.6 CC(C)CCC(=O)O M117869 [0,2,0,0,0,0|0,0,0]=2 1868 B7R0.6 CC(C)CCC(C)C D155219 [0,2,0,0,0,0|1,0,1]=4 1869 B7R0.6 CC(C)CCC(C)N W299301 [0,2,0,0,0,0|1,0,1]=4 1870 B7R0.6 CC(C)CCC(C)O M157779 [0,2,0,0,0,0|0,0,2]=4 1871 B7R0.6 CC(C)COC(=O)C I110418 [0,2,0,0,0,0|0,0,0]=2 1872 B7R0.6 CC(C)COC(=O)C I110419 [0,2,0,0,0,0|0,0,0]=2 1873 B7R0.6 CC(C)COC(=O)Cl I105738 [0,2,0,0,0,0|0,0,0]=2 1874 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [0,2,0,0,0,0|1,0,0]=3 1875 B7R0.6 CC(C)NNC(=O)C N193444 [0,2,0,0,0,0|1,0,0]=3 1876 B7R0.6 CC(C)OCC(C)O I404594 [0,2,0,0,0,0|0,0,2]=4 1877 B7R0.6 CN(C)C=C[N+](=O)[O-] D166333 [0,2,0,0,0,0|1,0,1]=4 1878 B7R0.6 CN(C)CCC(=O)O D132248 [0,2,0,0,0,0|1,0,0]=3 1879 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,2,0,0,0,0|1,0,0]=3 1880 B7R0.8 C(C(F)(F)F)OC=O T134919 [0,2,0,0,0,0|2,0,0]=4 1881 B7R0.8 CC(C)(C)NCC=C N405609 [0,2,0,0,0,0|1,0,0]=3 1882 B7R0.8 CC(C)(C)OCCO E107660 [0,2,0,0,0,0|0,0,2]=4 1883 B7R0.8 CC(C)(C)ON=S=O T405132 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.8 CC(C)(C)SCCN T405389 [0,2,0,0,0,0|1,0,1]=4 1885 B7R0.8 CCCCC(C)(C)C D106282 [0,2,0,0,0,0|1,0,1]=4 1886 B7R0.8 CCCCC(C)(C)O M157782 [0,2,0,0,0,0|1,0,1]=4 1887 B7R0.8 C[Si](C)(C)C#CC=O T115786 [0,2,0,0,0,0|0,1,1]=4 1888 B7R0.8 C[Si](C)(C)CCC=C B405460 [0,2,0,0,0,0|1,1,0]=4 1889 B7R0.8 C[Si](C)(C)OCC=C A151337 [0,2,0,0,0,0|1,1,0]=4 1890 B5R1.2 C1C(CN1)F F134511 [1,0,0,1,0,0|2,0,0]=4 1891 B5R1.2 C1C(CN1)N A171689 [1,0,0,1,0,0|2,0,0]=4 1892 B5R1.2 C1C(CN1)O H102085 [1,0,0,1,0,0|2,0,0]=4 1893 B5R1.2 C1C(CO1)Br B170097 [1,0,0,1,0,0|1,0,1]=4 1894 B5R1.2 C1C(CO1)I I134383 [1,0,0,1,0,0|1,0,1]=4 1895 B5R1.2 C1C(CO1)N O135359 [1,0,0,1,0,0|1,0,1]=4 1896 B5R1.2 C1C(CO1)N O589249 [1,0,0,1,0,0|1,0,1]=4 1897 B5R1.2 C1C(CO1)O H123582 [1,0,0,1,0,0|1,0,1]=4 1898 B5R1.2 C1C(CS1)N T173228 [1,0,0,1,0,0|1,1,0]=4 1899 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|1,0,1]=4 1900 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|1,0,1]=4 1901 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|1,0,1]=4 1902 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|1,0,1]=4 1903 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|1,0,1]=4 1904 B5R1.3 C#CC1CC1 C108075 [1,0,0,1,0,0|0,0,2]=4 1905 B5R1.3 C1C(O1)CCl E100521 [1,0,0,1,0,0|2,0,0]=4 1906 B5R1.3 C1C(O1)CCl E108181 [1,0,0,1,0,0|2,0,0]=4 1907 B5R1.3 C1C(O1)CCl E108182 [1,0,0,1,0,0|2,0,0]=4 1908 B5R1.3 C1C(O1)CCl E108184 [1,0,0,1,0,0|2,0,0]=4 1909 B5R1.3 C1C(O1)CCl E108185 [1,0,0,1,0,0|2,0,0]=4 1910 B5R1.3 C1C(O1)CCl E109298 [1,0,0,1,0,0|2,0,0]=4 1911 B5R1.3 C1C(O1)CCl E137334 [1,0,0,1,0,0|2,0,0]=4 1912 B5R1.3 C1C(O1)CCl E325686 [1,0,0,1,0,0|2,0,0]=4 1913 B5R1.3 C1C(O1)CCl E401255 [1,0,0,1,0,0|2,0,0]=4 1914 B5R1.3 C1C(O1)CF E352987 [1,0,0,1,0,0|2,0,0]=4 1915 B5R1.3 C1C(O1)CO G106989 [1,0,0,1,0,0|1,0,1]=4 1916 B5R1.3 C1C(O1)CO R119621 [1,0,0,1,0,0|1,0,1]=4 1917 B5R1.3 C1C(O1)CO S119620 [1,0,0,1,0,0|1,0,1]=4 1918 B5R1.3 C1CC1C#N C153826 [1,0,0,1,0,0|1,0,1]=4 1919 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|0,0,0]=2 1920 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|1,0,0]=3 1921 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|1,0,0]=3 1922 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|1,0,0]=3 1923 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|1,0,0]=3 1924 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|1,0,0]=3 1925 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|0,0,1]=3 1926 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|0,0,1]=3 1927 B5R1.3 C=CC1CO1 V100986 [1,0,0,1,0,0|1,0,1]=4 1928 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|1,0,1]=4 1929 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|1,0,1]=4 1930 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|1,0,1]=4 1931 B5R1.3 CNC1CC1 N177134 [1,0,0,1,0,0|1,0,1]=4 1932 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|1,0,1]=4 1933 B5R1.5 CC1(CC1)N M178021 [1,0,0,1,0,0|1,0,1]=4 1934 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|0,0,1]=3 1935 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|0,1,0]=3 1936 B5R1.1 C1C=CCN1 D139123 [1,0,0,1,0,0|2,0,0]=4 1937 B5R1.1 C1C=CCN1 p103550 [1,0,0,1,0,0|2,0,0]=4 1938 B5R1.1 C1C=CCO1 D101471 [1,0,0,1,0,0|2,0,0]=4 1939 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|1,0,0]=3 1940 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|1,0,0]=3 1941 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|1,0,0]=3 1942 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|1,0,1]=4 1943 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|1,0,1]=4 1944 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|1,0,1]=4 1945 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|1,0,1]=4 1946 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|1,0,1]=4 1947 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|1,0,1]=4 1948 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|1,0,1]=4 1949 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|1,0,1]=4 1950 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|1,0,1]=4 1951 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|1,0,1]=4 1952 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|0,0,2]=4 1953 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|0,0,2]=4 1954 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|0,0,2]=4 1955 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|0,0,2]=4 1956 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|0,0,2]=4 1957 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|0,0,2]=4 1958 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|0,0,2]=4 1959 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|0,0,2]=4 1960 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|0,0,2]=4 1961 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|0,0,2]=4 1962 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|0,0,2]=4 1963 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|0,0,2]=4 1964 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|0,0,2]=4 1965 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|0,0,2]=4 1966 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|0,0,2]=4 1967 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|0,0,2]=4 1968 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|0,1,1]=4 1969 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|1,0,1]=4 1970 B5R1.1 C1CNOC1 I157665 [1,0,0,1,0,0|1,0,1]=4 1971 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|0,0,2]=4 1972 B7R1.1 C1C=CCC1CO C175895 [0,1,0,1,0,0|1,0,0]=3 1973 B7R1.1 C1CCC(C1)CBr B184164 [0,1,0,1,0,0|1,0,1]=4 1974 B7R1.1 C1CCC(C1)CI I169233 [0,1,0,1,0,0|1,0,1]=4 1975 B7R1.1 C1CCC(C1)CN C176870 [0,1,0,1,0,0|1,0,1]=4 1976 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,1,0,0|1,0,1]=4 1977 B7R1.1 C1COCC1CBr B174868 [0,1,0,1,0,0|0,0,2]=4 1978 B7R1.1 C1COCC1CN A167762 [0,1,0,1,0,0|0,0,2]=4 1979 B7R1.1 C1COCC1CN A168112 [0,1,0,1,0,0|0,0,2]=4 1980 B7R1.1 C1COCC1CO T136105 [0,1,0,1,0,0|0,0,2]=4 1981 B7R1.1 CCC1CCCC1 E156243 [0,1,0,1,0,0|1,0,1]=4 1982 B7R1.1 CNC1CCNC1 M124586 [0,1,0,1,0,0|1,0,1]=4 1983 B7R1.1 COC1CCCC1 C102202 [0,1,0,1,0,0|1,0,1]=4 1984 B7R1.1 COC1CCCC1 C119688 [0,1,0,1,0,0|1,0,1]=4 1985 B7R1.1 COC1CCCC1 C298967 [0,1,0,1,0,0|1,0,1]=4 1986 B7R1.1 COC1CCNC1 R176558 [0,1,0,1,0,0|1,0,1]=4 1987 B7R1.1 COC1CCNC1 S177181 [0,1,0,1,0,0|1,0,1]=4 1988 B7R1.1 COC1CCNC1 S586566 [0,1,0,1,0,0|1,0,1]=4 1989 B7R1.2 C1C(=O)COC1=O T101326 [0,1,0,1,0,0|1,0,1]=4 1990 B7R1.2 C1C(C=CC1=O)O H492879 [0,1,0,1,0,0|1,0,1]=4 1991 B7R1.2 C1C(CNC1=O)N A587603 [0,1,0,1,0,0|1,0,0]=3 1992 B7R1.2 C1C(CNC1=O)O H119311 [0,1,0,1,0,0|1,0,0]=3 1993 B7R1.2 C1C(CNC1=O)O H119312 [0,1,0,1,0,0|1,0,0]=3 1994 B7R1.2 C1C(CNC1=O)O H183207 [0,1,0,1,0,0|1,0,0]=3 1995 B7R1.2 C1C(COC1=O)N R189910 [0,1,0,1,0,0|1,0,0]=3 1996 B7R1.2 C1C(COC1=O)N S189909 [0,1,0,1,0,0|1,0,0]=3 1997 B7R1.2 C1C(COC1=O)O H107941 [0,1,0,1,0,0|1,0,0]=3 1998 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,1,0,1,0,0|2,0,0]=4 1999 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,1,0,1,0,0|2,0,0]=4 2000 B7R1.2 C1C(OC(=O)O1)F F120339 [0,1,0,1,0,0|2,0,0]=4 2001 B7R1.2 C1CC(=O)CC1=O C138777 [0,1,0,1,0,0|1,0,1]=4 2002 B7R1.2 CC1=CC(=O)CC1 M109537 [0,1,0,1,0,0|0,0,2]=4 2003 B7R1.2 CC1=CC(=O)OC1 M158202 [0,1,0,1,0,0|0,0,2]=4 2004 B7R1.2 CC1=CCC(=O)O1 A151155 [0,1,0,1,0,0|1,0,1]=4 2005 B7R1.2 CC1=CCC(=O)O1 A433012 [0,1,0,1,0,0|1,0,1]=4 2006 B7R1.2 CC1=NNC(=O)C1 M121614 [0,1,0,1,0,0|1,0,1]=4 2007 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|0,0,0]=2 2008 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,1,0,0|1,0,0]=3 2009 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|1,0,0]=3 2010 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,1,0,0|0,0,2]=4 2011 B7R1.2 CC1CNC(=S)N1 N132557 [0,1,0,1,0,0|1,1,0]=4 2012 B7R1.2 CC1COC(=O)O1 P105723 [0,1,0,1,0,0|1,0,0]=3 2013 B7R1.2 CC1COC(=O)O1 P105724 [0,1,0,1,0,0|1,0,0]=3 2014 B7R1.2 CC1COC(=O)O1 P105725 [0,1,0,1,0,0|1,0,0]=3 2015 B7R1.2 CC1COC(=O)O1 P105726 [0,1,0,1,0,0|1,0,0]=3 2016 B7R1.2 CC1COC(=O)O1 P122960 [0,1,0,1,0,0|1,0,0]=3 2017 B7R1.2 CC1COC(=O)O1 S135940 [0,1,0,1,0,0|1,0,0]=3 2018 B7R1.2 CC1COS(=O)O1 M120340 [0,1,0,1,0,0|2,0,0]=4 2019 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,1,0,0|1,0,0]=3 2020 B7R1.3 CC1=CCC=CC1 M113652 [0,1,0,1,0,0|1,0,1]=4 2021 B7R1.3 CC1CCCC=C1 M158227 [0,1,0,1,0,0|1,0,1]=4 2022 B7R1.3 CC1CCCCC1 M103329 [0,1,0,1,0,0|1,0,1]=4 2023 B7R1.3 CC1CCCCC1 M103330 [0,1,0,1,0,0|1,0,1]=4 2024 B7R1.3 CC1CCCCC1 M103331 [0,1,0,1,0,0|1,0,1]=4 2025 B7R1.3 CC1CCCCC1 M118385 [0,1,0,1,0,0|1,0,1]=4 2026 B7R1.3 CC1CCCCC1 M119670 [0,1,0,1,0,0|1,0,1]=4 2027 B7R1.3 CC1CCCCN1 I169537 [0,1,0,1,0,0|1,0,1]=4 2028 B7R1.3 CC1CCCCN1 M106737 [0,1,0,1,0,0|1,0,1]=4 2029 B7R1.3 CC1CCCNC1 M158771 [0,1,0,1,0,0|1,0,1]=4 2030 B7R1.3 CC1CCCNC1 R588230 [0,1,0,1,0,0|1,0,1]=4 2031 B7R1.3 CC1CCCNC1 S191141 [0,1,0,1,0,0|1,0,1]=4 2032 B7R1.3 CC1CCNCC1 M158650 [0,1,0,1,0,0|1,0,1]=4 2033 B7R1.3 CC1CCOCO1 M158047 [0,1,0,1,0,0|0,0,2]=4 2034 B7R1.3 CC1CNCCN1 M103218 [0,1,0,1,0,0|1,0,1]=4 2035 B7R1.3 CC1CNCCN1 M120020 [0,1,0,1,0,0|1,0,1]=4 2036 B7R1.3 CC1CNCCN1 R160832 [0,1,0,1,0,0|1,0,1]=4 2037 B7R1.3 CC1CNCCO1 M588524 [0,1,0,1,0,0|1,0,1]=4 2038 B7R1.3 CC1CNCCO1 R174894 [0,1,0,1,0,0|1,0,1]=4 2039 B7R1.3 CC1CNCCO1 S172145 [0,1,0,1,0,0|1,0,1]=4 2040 B7R1.3 CC1COCCN1 M193354 [0,1,0,1,0,0|0,0,2]=4 2041 B7R1.3 CC1COCCN1 R160948 [0,1,0,1,0,0|0,0,2]=4 2042 B7R1.3 CC1COCCN1 R177343 [0,1,0,1,0,0|0,0,2]=4 2043 B7R1.3 CC1COCCN1 S176218 [0,1,0,1,0,0|0,0,2]=4 2044 B7R1.3 CC1COCCN1 S189368 [0,1,0,1,0,0|0,0,2]=4 2045 B7R1.4 CC1CCCC1O B300625 [0,1,0,1,0,0|1,0,1]=4 2046 B7R1.6 C1C(CN1)CCO A174496 [0,1,0,1,0,0|0,0,2]=4 2047 B7R1.6 C1C(CO1)CCO O175897 [0,1,0,1,0,0|0,0,2]=4 2048 B7R1.10 C1C(CC1=O)C#N O175570 [0,1,0,1,0,0|0,0,1]=3 2049 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|0,0,0]=2 2050 B7R1.10 C=C1CC(C1)C#N M174561 [0,1,0,1,0,0|1,0,1]=4 2051 B7R1.10 COC1CC(C1)N T173972 [0,1,0,1,0,0|1,0,1]=4 2052 B7R1.25 CC1(CNC1)OC M178126 [0,1,0,1,0,0|2,0,0]=4 2053 B7R1.25 CC1(COC1)CBr B177446 [0,1,0,1,0,0|2,0,0]=4 2054 B7R1.25 CC1(COC1)CCl C153820 [0,1,0,1,0,0|2,0,0]=4 2055 B7R1.25 CC1(COC1)CN M174504 [0,1,0,1,0,0|2,0,0]=4 2056 B7R1.25 CC1(COC1)CO M104534 [0,1,0,1,0,0|2,0,0]=4 2057 B7R1.12 C1C(C1F)C(=O)O F191156 [0,1,0,1,0,0|1,0,0]=3 2058 B7R1.12 C1C(C1F)C(=O)O R586886 [0,1,0,1,0,0|1,0,0]=3 2059 B7R1.12 C1C(C1F)C(=O)O R587591 [0,1,0,1,0,0|1,0,0]=3 2060 B7R1.12 C1C(C1F)C(=O)O S587590 [0,1,0,1,0,0|1,0,0]=3 2061 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|0,0,0]=2 2062 B7R1.20 C1CC1CC(=O)O C134997 [0,1,0,1,0,0|0,0,0]=2 2063 B7R1.7 C=CCCC1CO1 E156386 [0,1,0,1,0,0|2,0,0]=4 2064 B7R1.14 CC1(CCCC1)N A468531 [0,1,0,1,0,0|1,0,1]=4 2065 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,1,0,0|1,0,1]=4 2066 B7R1.14 CC1(CCCN1)C D176967 [0,1,0,1,0,0|1,0,1]=4 2067 B7R1.14 CC1(CCNC1)C D177478 [0,1,0,1,0,0|1,0,1]=4 2068 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,1,0,0|1,0,1]=4 2069 B7R1.14 CC1(COC=N1)C D155260 [0,1,0,1,0,0|1,0,0]=3 2070 B7R1.14 CC1(COCN1)C D136350 [0,1,0,1,0,0|1,0,1]=4 2071 B7R1.14 CC1(NCCS1)C D123034 [0,1,0,1,0,0|0,1,1]=4 2072 B7R2.13 C1C2C1CNC2 A177313 [0,0,0,2,0,0|1,0,1]=4 2073 B7R2.5 C1C2CC1(C2)N B168724 [0,0,0,2,0,0|1,0,1]=4