0 B5R0.1 CC#CC(C)C M157953 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.1 CC(=CC#N)N A163009 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(=CC=O)C M158692 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.1 CC(=CCBr)C D104495 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(=CCBr)C D104497 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(=CCCl)C C189147 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=CCCl)C C638572 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(=CCO)C M106454 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(=CCO)C M106455 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CC(=O)COC M158844 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 CC(=O)NC=C N159504 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 CC(=O)OC=C P101483 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CC(=O)OC=C P101485 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(=O)OC=C P101486 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CC(=O)OC=C P301634 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CC(=O)OC=C P304876 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 CC(=O)OC=C P304877 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CC(=O)OC=C P304879 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.1 CC(=O)OC=C P304880 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.1 CC(=O)OC=C P304881 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 CC(=O)OC=C P432376 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.1 CC(=O)OC=C P489072 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.1 CC(=O)OC=C V104470 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 CC(=O)OC=C V104471 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.1 CC(=O)OC=C V104472 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 CC(C)CC#C M157952 [0,0,0,0,0,0|0,0,3]=3 26 B5R0.1 CC(C)CC#N I137312 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.1 CC(C)CC=C M158219 [0,0,0,0,0,0|0,0,2]=2 28 B5R0.1 CC(C)CC=O I103729 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.1 CC(C)CC=O I103733 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.1 CC(C)CCBr I109279 [0,0,0,0,0,0|1,0,2]=3 31 B5R0.1 CC(C)CCCl C105682 [0,0,0,0,0,0|1,0,2]=3 32 B5R0.1 CC(C)CCI I100674 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.1 CC(C)CCN I109581 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.1 CC(C)CCN I404590 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.1 CC(C)CCO M116196 [0,0,0,0,0,0|1,0,2]=3 36 B5R0.1 CC(C)CCO M116197 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.1 CC(C)CCO M116198 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 CC(C)CCO M116200 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.1 CC(C)CCO M116201 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 CC(C)CCO M119838 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CC(C)CCS M101609 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.1 CC(C)CNN I588327 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 CC(C)C[Zn]Br I465880 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 CC(C)N=C=S I138525 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.1 CC(C)OC=O I112304 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.1 CC(C)OCCl C189120 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 CC(C)SC#N I349763 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CC(CC#C)O P160660 [0,0,0,0,0,0|1,0,3]=4 49 B5R0.1 CC(CC=C)O P160534 [0,0,0,0,0,0|1,0,2]=3 50 B5R0.1 CC(CC=C)O R467366 [0,0,0,0,0,0|1,0,2]=3 51 B5R0.1 CC(CC=C)O S467331 [0,0,0,0,0,0|1,0,2]=3 52 B5R0.1 CC(CCBr)Br D155315 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.1 CC(CCBr)O B589640 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.1 CC(CCCl)Cl D155308 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.1 CC(CCO)N A123608 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CC(CCO)N A183438 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CC(CCO)N S176942 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.1 CC(CCO)O B111016 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.1 CC(CCO)O B111017 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CC(CCO)O B111018 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CC(CCO)O B119672 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CC(CCO)O R160960 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.1 CC(CCO)O S138551 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CC(CNC)O M587581 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.1 CC(COC)N M169973 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CC(COC)N S475332 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.1 CC(COC)N S586466 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.1 CC(COC)O M105264 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.1 CC(COC)O M105265 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.1 CC(COC)O M105266 [0,0,0,0,0,0|2,0,1]=3 71 B5R0.1 CC(COC)O M299436 [0,0,0,0,0,0|2,0,1]=3 72 B5R0.1 CC(COC)O R160841 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.1 CC(COC)O S161357 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.1 CC=CC(=O)C P139100 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.1 CC=CC(=O)Cl C102055 [0,0,0,0,0,0|2,0,1]=3 76 B5R0.1 CC=CC(=O)Cl C153881 [0,0,0,0,0,0|2,0,1]=3 77 B5R0.1 CC=CC(=O)N C153720 [0,0,0,0,0,0|2,0,1]=3 78 B5R0.1 CC=CC(=O)O C104149 [0,0,0,0,0,0|2,0,1]=3 79 B5R0.1 CC=CC(=O)O C104150 [0,0,0,0,0,0|2,0,1]=3 80 B5R0.1 CC=CC(C)C M158236 [0,0,0,0,0,0|0,0,0]=0 81 B5R0.1 CC=CC(C)C T162379 [0,0,0,0,0,0|0,0,0]=0 82 B5R0.1 CCC=C(C)C M158233 [0,0,0,0,0,0|0,0,2]=2 83 B5R0.1 CCCC(=C)C M158211 [0,0,0,0,0,0|0,0,4]=4 84 B5R0.1 CCCC(=O)C P103780 [0,0,0,0,0,0|1,0,3]=4 85 B5R0.1 CCCC(=O)C P103781 [0,0,0,0,0,0|1,0,3]=4 86 B5R0.1 CCCC(=O)C P103782 [0,0,0,0,0,0|1,0,3]=4 87 B5R0.1 CCCC(=O)C P103783 [0,0,0,0,0,0|1,0,3]=4 88 B5R0.1 CCCC(C)Br B400517 [0,0,0,0,0,0|1,0,2]=3 89 B5R0.1 CCCC(C)C I157548 [0,0,0,0,0,0|0,0,2]=2 90 B5R0.1 CCCC(C)C M105775 [0,0,0,0,0,0|0,0,2]=2 91 B5R0.1 CCCC(C)C M105776 [0,0,0,0,0,0|0,0,2]=2 92 B5R0.1 CCCC(C)C M105777 [0,0,0,0,0,0|0,0,2]=2 93 B5R0.1 CCCC(C)C M105778 [0,0,0,0,0,0|0,0,2]=2 94 B5R0.1 CCCC(C)C M137744 [0,0,0,0,0,0|0,0,2]=2 95 B5R0.1 CCCC(C)Cl C467357 [0,0,0,0,0,0|1,0,2]=3 96 B5R0.1 CCCC(C)N A151353 [0,0,0,0,0,0|1,0,2]=3 97 B5R0.1 CCCC(C)O P103442 [0,0,0,0,0,0|1,0,2]=3 98 B5R0.1 CCCC(C)O P103443 [0,0,0,0,0,0|1,0,2]=3 99 B5R0.1 CCCC(C)O R138651 [0,0,0,0,0,0|1,0,2]=3 100 B5R0.1 CCCC(C)O S138580 [0,0,0,0,0,0|1,0,2]=3 101 B5R0.1 CCCN(C)C N404354 [0,0,0,0,0,0|1,0,2]=3 102 B5R0.1 CCNC(=O)C I135660 [0,0,0,0,0,0|2,0,2]=4 103 B5R0.1 CCNC(C)C N159098 [0,0,0,0,0,0|1,0,1]=2 104 B5R0.1 CCOC(=N)C E132730 [0,0,0,0,0,0|2,0,2]=4 105 B5R0.1 CCOC(=O)C E116131 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.1 CCOC(=O)C E116132 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.1 CCOC(=O)C E116133 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.1 CCOC(=O)C E116134 [0,0,0,0,0,0|2,0,2]=4 109 B5R0.1 CCOC(=O)C E116135 [0,0,0,0,0,0|2,0,2]=4 110 B5R0.1 CCOC(=O)C E116136 [0,0,0,0,0,0|2,0,2]=4 111 B5R0.1 CCOC(=O)C E116137 [0,0,0,0,0,0|2,0,2]=4 112 B5R0.1 CCOC(=O)C E116138 [0,0,0,0,0,0|2,0,2]=4 113 B5R0.1 CCOC(=O)C E116139 [0,0,0,0,0,0|2,0,2]=4 114 B5R0.1 CCOC(=O)C E116141 [0,0,0,0,0,0|2,0,2]=4 115 B5R0.1 CCOC(=O)C E116142 [0,0,0,0,0,0|2,0,2]=4 116 B5R0.1 CCOC(=O)C E119698 [0,0,0,0,0,0|2,0,2]=4 117 B5R0.1 CCOC(=O)C E141165 [0,0,0,0,0,0|2,0,2]=4 118 B5R0.1 CCOC(=O)C E302266 [0,0,0,0,0,0|2,0,2]=4 119 B5R0.1 CCOC(=O)C E432070 [0,0,0,0,0,0|2,0,2]=4 120 B5R0.1 CCO[Si](C)C D191031 [0,0,0,0,0,0|1,1,1]=3 121 B5R0.1 CCSC(=O)C E107950 [0,0,0,0,0,0|2,0,2]=4 122 B5R0.1 CCSC(=S)C E338928 [0,0,0,0,0,0|2,0,2]=4 123 B5R0.1 CN(C)CC#C N159655 [0,0,0,0,0,0|1,0,3]=4 124 B5R0.1 CN(C)CC=C D117859 [0,0,0,0,0,0|1,0,2]=3 125 B5R0.1 CN(C)CC=O D587172 [0,0,0,0,0,0|2,0,1]=3 126 B5R0.1 CN(C)CCBr B183437 [0,0,0,0,0,0|2,0,2]=4 127 B5R0.1 CN(C)CCN D105347 [0,0,0,0,0,0|2,0,2]=4 128 B5R0.1 CN(C)CCN N404297 [0,0,0,0,0,0|2,0,2]=4 129 B5R0.1 CN(C)CCN N404298 [0,0,0,0,0,0|2,0,2]=4 130 B5R0.1 CN(C)CCO D109078 [0,0,0,0,0,0|2,0,2]=4 131 B5R0.1 CN(C)CCO D109079 [0,0,0,0,0,0|2,0,2]=4 132 B5R0.1 CN(C)CCO D109080 [0,0,0,0,0,0|2,0,2]=4 133 B5R0.1 CSCS(=O)C M158415 [0,0,0,0,0,0|3,0,1]=4 134 B4R0.1 B(=S(C)C)Cl C300429 [1,0,0,0,0,0|3,0,0]=4 135 B4R0.1 C=CC(=O)Cl A104614 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 C=CC(=O)N A108465 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 C=CC(=O)N A108466 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.1 C=CC(=O)N A108467 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.1 C=CC(=O)N A108468 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.1 C=CC(=O)N A108469 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 C=CC(=O)N A108470 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.1 C=CC(=O)N A353801 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.1 C=CC(=O)N P108471 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 C=CC(=O)N P434410 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.1 C=CC(=O)N P434411 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.1 C=CC(=O)N P477438 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 C=CC(=O)O A103525 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 C=CC(=O)O A103526 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 C=CC(=O)O A397753 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 C=CC(=O)O A434196 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 C=CC(=O)O A615488 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 C=CC(=O)O P104270 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 C=CC(=O)O P104272 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 C=CC(=O)O P131657 [1,0,0,0,0,0|2,0,1]=4 155 B4R0.1 C=CC(=O)O P131658 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 C=CC(=O)O P131659 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 C=CC(=O)O P299190 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 C=CC(=O)O P404949 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 C=CC(=O)O P639633 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.1 C=CC(=O)[O-] M304023 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 C=CC(=O)[O-] P304873 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 C=CC(=O)[O-] P434406 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 C=CC(=O)[O-] P434407 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 C=CC(=O)[O-] P434408 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 C=CC(=O)[O-] P434409 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 C=CC(=O)[O-] S108368 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 C=CC(=O)[O-] S165277 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 C=CC(=O)[O-] S298808 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 C=CC(=O)[O-] S304539 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 C=CC(=O)[O-] S434405 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.1 C=CC(=O)[O-] Z472262 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 CC(=C)C=O M133597 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.1 CC(=C)C=O M139714 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.1 CC(=CBr)C B163037 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.1 CC(=CCl)C C170698 [1,0,0,0,0,0|1,0,1]=3 176 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.1 CC(=O)C=O M109035 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 CC(=O)C=O M109036 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.1 CC(=O)NC M106450 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 CC(=O)OC M103353 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.1 CC(=O)OC M103354 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.1 CC(=O)OC M103356 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.1 CC(=O)OC M103357 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.1 CC(=O)OC M103358 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 CC(=O)OC M103359 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 CC(=O)SC S161332 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.1 CC(C#C)Br B476941 [1,0,0,0,0,0|1,0,2]=4 188 B4R0.1 CC(C#C)N B589081 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.1 CC(C#C)O B106248 [1,0,0,0,0,0|1,0,2]=4 190 B4R0.1 CC(C#C)O B301756 [1,0,0,0,0,0|1,0,2]=4 191 B4R0.1 CC(C#C)O R160842 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.1 CC(C#C)O S161362 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.1 CC(C#N)Br B168276 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.1 CC(C#N)Cl C122640 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.1 CC(C#N)N A186242 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|1,0,1]=3 197 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|1,0,0]=2 198 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|1,0,0]=2 200 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|1,0,1]=3 201 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|1,0,1]=3 203 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|1,0,1]=3 204 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|1,0,1]=3 209 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|1,0,1]=3 210 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|1,0,1]=3 211 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|1,0,1]=3 212 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|1,0,1]=3 213 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|1,0,1]=3 215 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|1,0,1]=3 216 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|1,0,1]=3 217 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|1,0,1]=3 218 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|1,0,0]=2 219 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|2,0,0]=3 220 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|2,0,0]=3 221 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|1,0,0]=2 222 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|1,0,0]=2 223 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|1,0,0]=2 224 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,1]=4 225 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|2,0,1]=4 226 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,1]=4 227 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,1]=4 228 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,1]=4 230 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|2,0,1]=4 233 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|2,0,1]=4 252 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|2,0,1]=4 255 B4R0.1 CC=C(C)Br B151979 [1,0,0,0,0,0|1,0,1]=3 256 B4R0.1 CC=C(C)Cl C153915 [1,0,0,0,0,0|1,0,1]=3 257 B4R0.1 CC=C(Cl)Cl D128125 [1,0,0,0,0,0|2,0,1]=4 258 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|1,0,2]=4 259 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|1,0,1]=3 260 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|1,0,1]=3 262 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|1,0,1]=3 263 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|1,0,1]=3 264 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|1,0,1]=3 265 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|1,0,1]=3 266 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|1,0,1]=3 267 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|1,0,1]=3 268 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|1,0,1]=3 269 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|1,0,1]=3 271 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|1,0,1]=3 272 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|1,0,1]=3 273 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|1,0,1]=3 274 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|0,1,1]=3 276 B4R0.1 CN(C)C#N D154667 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 CN(C)C=O D111998 [1,0,0,0,0,0|2,0,0]=3 278 B4R0.1 CN(C)C=O D111999 [1,0,0,0,0,0|2,0,0]=3 279 B4R0.1 CN(C)C=O D112000 [1,0,0,0,0,0|2,0,0]=3 280 B4R0.1 CN(C)C=O D112002 [1,0,0,0,0,0|2,0,0]=3 281 B4R0.1 CN(C)C=O D112003 [1,0,0,0,0,0|2,0,0]=3 282 B4R0.1 CN(C)C=O D112004 [1,0,0,0,0,0|2,0,0]=3 283 B4R0.1 CN(C)C=O D112007 [1,0,0,0,0,0|2,0,0]=3 284 B4R0.1 CN(C)C=O D112008 [1,0,0,0,0,0|2,0,0]=3 285 B4R0.1 CN(C)C=O D112009 [1,0,0,0,0,0|2,0,0]=3 286 B4R0.1 CN(C)C=O D119450 [1,0,0,0,0,0|2,0,0]=3 287 B4R0.1 CN(C)C=O D301788 [1,0,0,0,0,0|2,0,0]=3 288 B4R0.1 CN(C)C=O D639253 [1,0,0,0,0,0|2,0,0]=3 289 B4R0.1 CN(C)C=O N433309 [1,0,0,0,0,0|2,0,0]=3 290 B4R0.1 CN(C)C=S N139246 [1,0,0,0,0,0|2,0,0]=3 291 B4R0.1 CN(C)N=C F156632 [1,0,0,0,0,0|2,0,0]=3 292 B4R0.1 CN(C)N=O N396014 [1,0,0,0,0,0|3,0,0]=4 293 B4R0.1 CN(C)N=O N471951 [1,0,0,0,0,0|3,0,0]=4 294 B4R0.1 CN=[N+](C)[O-] A169090 [1,0,0,0,0,0|3,0,0]=4 295 B4R0.1 COC(Cl)Cl D109451 [1,0,0,0,0,0|3,0,0]=4 296 B4R0.1 C[N+](=CCl)C C153896 [1,0,0,0,0,0|2,0,0]=3 297 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|1,1,1]=4 298 B4R0.2 C(C=CCl)Cl C470045 [1,0,0,0,0,0|2,0,0]=3 299 B4R0.2 C(C=CCl)Cl D114577 [1,0,0,0,0,0|2,0,0]=3 300 B4R0.2 C(C=CCl)Cl D115814 [1,0,0,0,0,0|2,0,0]=3 301 B4R0.2 C(C=CCl)Cl D119391 [1,0,0,0,0,0|2,0,0]=3 302 B4R0.2 C(C=CCl)Cl D128134 [1,0,0,0,0,0|2,0,0]=3 303 B4R0.2 C(C=CO)Cl R303195 [1,0,0,0,0,0|2,0,0]=3 304 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|2,0,1]=4 305 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|1,0,2]=4 306 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|1,0,2]=4 307 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|1,0,2]=4 308 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|1,0,2]=4 309 B4R0.2 CC#CCO B111064 [1,0,0,0,0,0|1,0,2]=4 310 B4R0.2 CC=CC#N B111228 [1,0,0,0,0,0|1,0,1]=3 311 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|1,0,0]=2 312 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|1,0,0]=2 313 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|1,0,0]=2 314 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|0,0,2]=3 315 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|0,0,2]=3 316 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|1,0,1]=3 317 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|1,0,1]=3 318 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|1,0,1]=3 319 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|1,0,2]=4 320 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|1,0,2]=4 321 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|1,0,2]=4 322 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|1,0,2]=4 323 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|1,0,2]=4 324 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|1,0,2]=4 325 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|1,0,2]=4 326 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|1,0,2]=4 327 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|1,0,2]=4 328 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|1,0,2]=4 329 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|1,0,2]=4 330 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|1,0,2]=4 331 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|1,0,2]=4 332 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|1,0,2]=4 333 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|1,0,2]=4 334 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|1,0,2]=4 335 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|1,0,2]=4 336 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|1,0,2]=4 337 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|1,0,2]=4 338 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|1,0,2]=4 339 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|1,0,2]=4 340 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|1,0,2]=4 341 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|1,0,2]=4 342 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|1,0,2]=4 343 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|1,0,2]=4 344 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|1,0,2]=4 345 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|1,0,2]=4 346 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|1,0,2]=4 347 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|1,0,2]=4 348 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|1,0,2]=4 349 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|1,0,2]=4 350 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|1,0,2]=4 351 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|1,0,2]=4 352 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|1,0,2]=4 353 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|1,0,2]=4 354 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|1,0,2]=4 355 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|1,0,2]=4 356 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|1,0,2]=4 357 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|0,0,3]=4 358 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|0,0,3]=4 359 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|1,0,2]=4 360 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|1,0,2]=4 361 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|1,0,2]=4 362 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|1,0,2]=4 363 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|1,0,2]=4 364 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|1,0,2]=4 365 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|1,0,1]=3 366 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|1,0,1]=3 367 B4R0.2 CCN=C=S E140613 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|2,0,0]=3 369 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|1,0,1]=3 370 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|1,0,1]=3 371 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|1,0,1]=3 372 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|1,0,1]=3 373 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|1,0,1]=3 374 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|1,0,1]=3 375 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|1,0,1]=3 376 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|1,0,1]=3 377 B4R0.2 CCOC#C E113364 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.2 CCOC#C E579852 [1,0,0,0,0,0|1,0,2]=4 379 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|1,0,1]=3 380 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|2,0,0]=3 381 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|2,0,0]=3 382 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|2,0,0]=3 383 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|2,0,0]=3 384 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|2,0,0]=3 385 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|1,0,1]=3 386 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|1,0,1]=3 387 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|1,0,1]=3 388 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|1,0,1]=3 389 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|1,0,1]=3 390 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|1,0,1]=3 391 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|1,0,1]=3 392 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|1,0,1]=3 395 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|1,0,1]=3 396 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|1,0,1]=3 397 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|1,0,1]=3 398 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|0,1,1]=3 399 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|1,0,2]=4 400 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|2,0,1]=4 404 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|2,0,1]=4 405 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|1,0,2]=4 406 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|2,0,1]=4 408 B4R0.2 COCCN M138018 [1,0,0,0,0,0|2,0,1]=4 409 B4R0.2 COCCN M404735 [1,0,0,0,0,0|2,0,1]=4 410 B4R0.2 COCCN M493557 [1,0,0,0,0,0|2,0,1]=4 411 B4R0.2 COCCO M102852 [1,0,0,0,0,0|2,0,1]=4 412 B4R0.2 COCCO M102853 [1,0,0,0,0,0|2,0,1]=4 413 B4R0.2 COCCO M102854 [1,0,0,0,0,0|2,0,1]=4 414 B4R0.2 COCCO M102855 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.2 COCCO M102856 [1,0,0,0,0,0|2,0,1]=4 416 B4R0.2 COCCO M102857 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.2 COCCO M102858 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.2 COCCO M119725 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.2 COCOC D101433 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.2 COCOC D101436 [1,0,0,0,0,0|2,0,1]=4 421 B4R0.2 COCOC F431409 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|1,0,2]=4 423 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|2,0,1]=4 424 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|2,0,1]=4 425 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.2 CSCSC B140648 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.2 CSSSC D103087 [1,0,0,0,0,0|3,0,0]=4 429 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|1,0,1]=3 430 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|1,0,2]=4 431 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|1,0,1]=3 432 B6R0.1 CC=CC(=O)OC M109486 [0,1,0,0,0,0|1,0,1]=3 433 B6R0.1 CCC(=O)C=CC E404567 [0,1,0,0,0,0|1,0,1]=3 434 B6R0.1 CCC(=O)C=CC H111425 [0,1,0,0,0,0|1,0,1]=3 435 B6R0.1 CCC(C)N=C=S B140604 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|1,0,1]=3 437 B6R0.1 CCC(COC)N A151357 [0,1,0,0,0,0|2,0,1]=4 438 B6R0.1 CCC(COC)O M158749 [0,1,0,0,0,0|2,0,1]=4 439 B6R0.1 CCC=C(C)C=O M102187 [0,1,0,0,0,0|0,0,3]=4 440 B6R0.1 CCCC(C)C=O M158691 [0,1,0,0,0,0|0,0,3]=4 441 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|0,0,2]=3 442 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|0,0,2]=3 443 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|1,0,2]=4 444 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|1,0,2]=4 445 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|1,0,2]=4 446 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|1,0,2]=4 447 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.1 CNCC(CO)O M157918 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.1 COC(=O)C=CI E589680 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.1 COCC(CCl)O C153895 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.1 COCC(CN)O A479789 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.1 COCC(CO)O M135227 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.2 B(C=C(C)C)(O)O M587289 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.2 B(CC(C)C)(O)O M120307 [0,1,0,0,0,0|2,0,1]=4 456 B6R0.2 B(CC(C)C)(O)O M299536 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.2 CC(=C)OC(=O)C I108612 [0,1,0,0,0,0|1,0,2]=4 458 B6R0.2 CC(=CC(=O)C)C M105926 [0,1,0,0,0,0|0,0,1]=2 459 B6R0.2 CC(=CC(=O)C)C M105927 [0,1,0,0,0,0|0,0,1]=2 460 B6R0.2 CC(=CC(=O)C)C M105928 [0,1,0,0,0,0|0,0,1]=2 461 B6R0.2 CC(=CC(=O)C)N F156686 [0,1,0,0,0,0|1,0,1]=3 462 B6R0.2 CC(=CC(=O)C)O A118525 [0,1,0,0,0,0|1,0,1]=3 463 B6R0.2 CC(=CC(=O)C)O A118538 [0,1,0,0,0,0|1,0,1]=3 464 B6R0.2 CC(=CC(=O)C)O A579873 [0,1,0,0,0,0|1,0,1]=3 465 B6R0.2 CC(=CC(=O)C)O B152272 [0,1,0,0,0,0|1,0,1]=3 466 B6R0.2 CC(=CC(=O)C)O C109323 [0,1,0,0,0,0|1,0,1]=3 467 B6R0.2 CC(=CC(=O)C)O C140817 [0,1,0,0,0,0|1,0,1]=3 468 B6R0.2 CC(=CC(=O)C)O C283471 [0,1,0,0,0,0|1,0,1]=3 469 B6R0.2 CC(=CC(=O)C)O C486854 [0,1,0,0,0,0|1,0,1]=3 470 B6R0.2 CC(=CC(=O)C)O D302912 [0,1,0,0,0,0|1,0,1]=3 471 B6R0.2 CC(=CC(=O)C)O E302901 [0,1,0,0,0,0|1,0,1]=3 472 B6R0.2 CC(=CC(=O)C)O E347622 [0,1,0,0,0,0|1,0,1]=3 473 B6R0.2 CC(=CC(=O)C)O G304265 [0,1,0,0,0,0|1,0,1]=3 474 B6R0.2 CC(=CC(=O)C)O H107857 [0,1,0,0,0,0|1,0,1]=3 475 B6R0.2 CC(=CC(=O)C)O I138305 [0,1,0,0,0,0|1,0,1]=3 476 B6R0.2 CC(=CC(=O)C)O I294571 [0,1,0,0,0,0|1,0,1]=3 477 B6R0.2 CC(=CC(=O)C)O M106182 [0,1,0,0,0,0|1,0,1]=3 478 B6R0.2 CC(=CC(=O)C)O P101065 [0,1,0,0,0,0|1,0,1]=3 479 B6R0.2 CC(=CC(=O)C)O P119025 [0,1,0,0,0,0|1,0,1]=3 480 B6R0.2 CC(=CC(=O)C)O P119026 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.2 CC(=CC(=O)C)O P293928 [0,1,0,0,0,0|1,0,1]=3 482 B6R0.2 CC(=CC(=O)C)O R118502 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.2 CC(=CC(=O)C)O R118539 [0,1,0,0,0,0|1,0,1]=3 484 B6R0.2 CC(=CC(=O)C)O R118540 [0,1,0,0,0,0|1,0,1]=3 485 B6R0.2 CC(=CC(=O)C)O R294372 [0,1,0,0,0,0|1,0,1]=3 486 B6R0.2 CC(=CC(=O)C)O R639975 [0,1,0,0,0,0|1,0,1]=3 487 B6R0.2 CC(=CC(=O)C)O S298504 [0,1,0,0,0,0|1,0,1]=3 488 B6R0.2 CC(=CC(=O)C)O T283063 [0,1,0,0,0,0|1,0,1]=3 489 B6R0.2 CC(=CC(=O)C)O T302818 [0,1,0,0,0,0|1,0,1]=3 490 B6R0.2 CC(=CC(=O)C)O T302908 [0,1,0,0,0,0|1,0,1]=3 491 B6R0.2 CC(=CC(=O)C)O V109324 [0,1,0,0,0,0|1,0,1]=3 492 B6R0.2 CC(=CC(=O)C)O V109325 [0,1,0,0,0,0|1,0,1]=3 493 B6R0.2 CC(=CC(=O)C)O Y191992 [0,1,0,0,0,0|1,0,1]=3 494 B6R0.2 CC(=CC(=O)C)O Y283039 [0,1,0,0,0,0|1,0,1]=3 495 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,1,0,0,0,0|1,0,1]=3 496 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,1,0,0,0,0|1,0,1]=3 497 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,1,0,0,0,0|1,0,1]=3 498 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,1,0,0,0,0|1,0,1]=3 499 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,1,0,0,0,0|1,0,1]=3 500 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,1,0,0,0,0|1,0,1]=3 501 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,1,0,0,0,0|1,0,1]=3 502 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,1,0,0,0,0|1,0,1]=3 504 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,1,0,0,0,0|1,0,1]=3 506 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,1,0,0,0,0|1,0,1]=3 507 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,1,0,0,0,0|1,0,1]=3 508 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,1,0,0,0,0|1,0,1]=3 509 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,1,0,0,0,0|1,0,1]=3 510 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,1,0,0,0,0|1,0,1]=3 512 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,1,0,0,0,0|1,0,1]=3 513 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,1,0,0,0,0|1,0,1]=3 514 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,1,0,0,0,0|1,0,1]=3 515 B6R0.2 CC(=CC(=O)O)C D102028 [0,1,0,0,0,0|1,0,1]=3 516 B6R0.2 CC(=O)CC(=O)C A110366 [0,1,0,0,0,0|1,0,2]=4 517 B6R0.2 CC(=O)CC(=O)C A110367 [0,1,0,0,0,0|1,0,2]=4 518 B6R0.2 CC(=O)CC(=O)C A110370 [0,1,0,0,0,0|1,0,2]=4 519 B6R0.2 CC(=O)CN(C)C D167514 [0,1,0,0,0,0|1,0,1]=3 520 B6R0.2 CC(=O)OC(=O)C A302240 [0,1,0,0,0,0|2,0,1]=4 521 B6R0.2 CC(=O)OC(=O)C A474130 [0,1,0,0,0,0|2,0,1]=4 522 B6R0.2 CC(=O)SC(=O)C A151355 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,1,0,0,0,0|1,0,2]=4 524 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,1,0,0,0,0|1,0,2]=4 525 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,1,0,0,0,0|1,0,2]=4 526 B6R0.2 CC(C)C=C(C)C D155423 [0,1,0,0,0,0|0,0,0]=1 527 B6R0.2 CC(C)CC(=O)C M108736 [0,1,0,0,0,0|0,0,1]=2 528 B6R0.2 CC(C)CC(=O)C M108737 [0,1,0,0,0,0|0,0,1]=2 529 B6R0.2 CC(C)CC(=O)C M108738 [0,1,0,0,0,0|0,0,1]=2 530 B6R0.2 CC(C)CC(=O)C M108740 [0,1,0,0,0,0|0,0,1]=2 531 B6R0.2 CC(C)CC(=O)C M108741 [0,1,0,0,0,0|0,0,1]=2 532 B6R0.2 CC(C)CC(=O)C M492092 [0,1,0,0,0,0|0,0,1]=2 533 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,0,0,0,0|1,0,1]=3 534 B6R0.2 CC(C)CC(=O)O I108280 [0,1,0,0,0,0|1,0,1]=3 535 B6R0.2 CC(C)CC(=O)O I108281 [0,1,0,0,0,0|1,0,1]=3 536 B6R0.2 CC(C)CC(=O)O I424338 [0,1,0,0,0,0|1,0,1]=3 537 B6R0.2 CC(C)CC(=O)O I432771 [0,1,0,0,0,0|1,0,1]=3 538 B6R0.2 CC(C)CC(C)C D155236 [0,1,0,0,0,0|0,0,2]=3 539 B6R0.2 CC(C)CC(C)N D154510 [0,1,0,0,0,0|0,0,2]=3 540 B6R0.2 CC(C)CC(C)O M104491 [0,1,0,0,0,0|0,0,2]=3 541 B6R0.2 CC(C)NC(=O)C N586389 [0,1,0,0,0,0|1,0,0]=2 542 B6R0.2 CC(C)NC(C)C D108297 [0,1,0,0,0,0|1,0,1]=3 543 B6R0.2 CC(C)NC(C)C D108298 [0,1,0,0,0,0|1,0,1]=3 544 B6R0.2 CC(C)NC(C)C D108299 [0,1,0,0,0,0|1,0,1]=3 545 B6R0.2 CC(C)NC(C)C D108300 [0,1,0,0,0,0|1,0,1]=3 546 B6R0.2 CC(C)NC(C)C D108301 [0,1,0,0,0,0|1,0,1]=3 547 B6R0.2 CC(C)NC(C)C D135665 [0,1,0,0,0,0|1,0,1]=3 548 B6R0.2 CC(C)NC(C)C D154669 [0,1,0,0,0,0|1,0,1]=3 549 B6R0.2 CC(C)NC(C)C D399268 [0,1,0,0,0,0|1,0,1]=3 550 B6R0.2 CC(C)NC(C)C D404340 [0,1,0,0,0,0|1,0,1]=3 551 B6R0.2 CC(C)NC(C)C D494183 [0,1,0,0,0,0|1,0,1]=3 552 B6R0.2 CC(C)OC(=O)C I103453 [0,1,0,0,0,0|1,0,0]=2 553 B6R0.2 CC(C)OC(=O)C I103454 [0,1,0,0,0,0|1,0,0]=2 554 B6R0.2 CC(C)OC(=O)C I103455 [0,1,0,0,0,0|1,0,0]=2 555 B6R0.2 CC(C)OC(=O)N I157610 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,1,0,0,0,0|2,0,0]=3 557 B6R0.2 CC(C)OC(C)C I110454 [0,1,0,0,0,0|1,0,1]=3 558 B6R0.2 CC(C)OC(C)C I110455 [0,1,0,0,0,0|1,0,1]=3 559 B6R0.2 CC(C)OC(C)C I110457 [0,1,0,0,0,0|1,0,1]=3 560 B6R0.2 CC(C)OC(C)C I110458 [0,1,0,0,0,0|1,0,1]=3 561 B6R0.2 CC(C)OC(C)C I119694 [0,1,0,0,0,0|1,0,1]=3 562 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [0,1,0,0,0,0|3,0,0]=4 563 B6R0.2 CC(C)SC(C)C I157604 [0,1,0,0,0,0|1,0,1]=3 564 B6R0.2 CC(CC(=O)O)Br B169132 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.2 CC(CC(=O)O)Cl C153466 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.2 CC(CC(=O)O)N A100948 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.2 CC(CC(=O)O)N H117041 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.2 CC(CC(=O)O)N R184127 [0,1,0,0,0,0|2,0,1]=4 569 B6R0.2 CC(CC(=O)O)N S193074 [0,1,0,0,0,0|2,0,1]=4 570 B6R0.2 CC(CC(=O)O)O P347707 [0,1,0,0,0,0|2,0,1]=4 571 B6R0.2 CC(CC(=O)O)O R304188 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.2 CC(CC(=O)O)O R425172 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.2 CC(CC(=O)O)O S161108 [0,1,0,0,0,0|2,0,1]=4 574 B6R0.2 CC(CC(=O)O)O S194215 [0,1,0,0,0,0|2,0,1]=4 575 B6R0.2 CC(CC(=O)[O-])O B301134 [0,1,0,0,0,0|2,0,1]=4 576 B6R0.2 CC(CC(=O)[O-])O H121822 [0,1,0,0,0,0|2,0,1]=4 577 B6R0.2 CC(CC(=O)[O-])O X131756 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.2 CC(CC(C)Br)Br D155303 [0,1,0,0,0,0|1,0,2]=4 579 B6R0.2 CC(CC(C)O)O R160958 [0,1,0,0,0,0|1,0,2]=4 580 B6R0.2 CC(CC(C)O)O S161001 [0,1,0,0,0,0|1,0,2]=4 581 B6R0.2 CC(CN(C)C)Cl C153815 [0,1,0,0,0,0|1,0,2]=4 582 B6R0.2 CC(CN(C)C)O B282542 [0,1,0,0,0,0|1,0,2]=4 583 B6R0.2 CC(CN(C)C)O D155704 [0,1,0,0,0,0|1,0,2]=4 584 B6R0.2 CC(OC(=O)C)Br B303662 [0,1,0,0,0,0|2,0,0]=3 585 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.2 CN(C)CC(=O)O D115675 [0,1,0,0,0,0|2,0,1]=4 587 B6R0.2 CN(C)CC(=O)O N159831 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.2 CN(C)CC(=O)O N420632 [0,1,0,0,0,0|2,0,1]=4 589 B6R0.2 CN(C)CN(C)C N159372 [0,1,0,0,0,0|2,0,1]=4 590 B6R0.2 C[Si](C)N[Si](C)C T162577 [0,1,0,0,0,0|1,2,0]=4 591 B6R0.2 C[Si](C)O[Si](C)C T110097 [0,1,0,0,0,0|1,2,0]=4 592 B6R0.3 CC(=C)C(=O)NC N159439 [0,1,0,0,0,0|1,0,2]=4 593 B6R0.3 CC(=C)C(=O)NC N563684 [0,1,0,0,0,0|1,0,2]=4 594 B6R0.3 CC(=C)C(=O)OC M109623 [0,1,0,0,0,0|1,0,2]=4 595 B6R0.3 CC(=C)C(=O)OC M109626 [0,1,0,0,0,0|1,0,2]=4 596 B6R0.3 CC(=C)C(=O)OC M109629 [0,1,0,0,0,0|1,0,2]=4 597 B6R0.3 CC(=C)C(=O)OC P141442 [0,1,0,0,0,0|1,0,2]=4 598 B6R0.3 CC(=C)C(=O)OC P141443 [0,1,0,0,0,0|1,0,2]=4 599 B6R0.3 CC(=C)C(=O)OC P141444 [0,1,0,0,0,0|1,0,2]=4 600 B6R0.3 CC(=C)C(=O)OC P434521 [0,1,0,0,0,0|1,0,2]=4 601 B6R0.3 CC(=C)C(=O)OC P434523 [0,1,0,0,0,0|1,0,2]=4 602 B6R0.3 CC(=C)C(=O)OC P434524 [0,1,0,0,0,0|1,0,2]=4 603 B6R0.3 CC(=C)C(=O)OC P478276 [0,1,0,0,0,0|1,0,2]=4 604 B6R0.3 CC(=C)C(=O)OC P598682 [0,1,0,0,0,0|1,0,2]=4 605 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,0,0,0,0|2,0,1]=4 606 B6R0.3 CC(C(=O)NC)N L354750 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.3 CC(C(=O)OC)Br M117975 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.3 CC(C(=O)OC)Cl M102467 [0,1,0,0,0,0|2,0,0]=3 609 B6R0.3 CC(C(=O)OC)Cl M110142 [0,1,0,0,0,0|2,0,0]=3 610 B6R0.3 CC(C(=O)OC)Cl M158574 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.3 CC(C(=O)OC)N A100771 [0,1,0,0,0,0|2,0,0]=3 612 B6R0.3 CC(C(=O)OC)N A100815 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.3 CC(C(=O)OC)N A116955 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.3 CC(C(=O)OC)O M132799 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.3 CC(C(=O)OC)O M158257 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.3 CC(C(=O)OC)O M158854 [0,1,0,0,0,0|2,0,0]=3 617 B6R0.3 CC(C)C(=O)OC M100041 [0,1,0,0,0,0|1,0,0]=2 618 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|1,0,2]=4 619 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|1,0,2]=4 620 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|1,0,2]=4 621 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,0,0,0,0|1,0,1]=3 622 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,0,0,0,0|1,0,1]=3 623 B6R0.3 CC=C(C)C(=O)Cl T161611 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.3 CC=C(C)C(=O)O B137277 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.3 CC=C(C)C(=O)O T107164 [0,1,0,0,0,0|2,0,1]=4 626 B6R0.3 CC=C(C)C(C)C C153480 [0,1,0,0,0,0|0,0,0]=1 627 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,0,0,0,0|1,0,2]=4 628 B6R0.3 CCC(=O)C(C)C M158840 [0,1,0,0,0,0|0,0,1]=2 629 B6R0.3 CCC(=O)N(C)C D128096 [0,1,0,0,0,0|1,0,1]=3 630 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|0,0,2]=3 631 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|0,0,2]=3 632 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|0,0,2]=3 633 B6R0.3 CN(C)C(=O)C=C N159036 [0,1,0,0,0,0|1,0,1]=3 634 B6R0.3 CN(C)C(=O)CBr B185138 [0,1,0,0,0,0|2,0,1]=4 635 B6R0.3 CN(C)C(=O)CCl C107991 [0,1,0,0,0,0|2,0,1]=4 636 B6R0.3 CN(C)C(=O)CN A182307 [0,1,0,0,0,0|2,0,1]=4 637 B6R0.3 CN(C)C(=O)CO H587302 [0,1,0,0,0,0|2,0,1]=4 638 B6R0.3 CN(C)C(=S)NN D155254 [0,1,0,0,0,0|3,0,0]=4 639 B6R0.3 CNC(=O)N(C)C T348049 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.3 CNC(=S)N(C)C T162220 [0,1,0,0,0,0|2,0,0]=3 641 B6R0.3 COC(=O)C(Cl)Cl M106416 [0,1,0,0,0,0|3,0,0]=4 642 B6R0.3 COC(=O)C(F)F M158796 [0,1,0,0,0,0|3,0,0]=4 643 B6R0.4 B(C=CCCl)(O)O I168619 [0,1,0,0,0,0|3,0,0]=4 644 B6R0.4 C(C=CC(=O)O)Br B152770 [0,1,0,0,0,0|2,0,1]=4 645 B6R0.4 C(C=CC(=O)O)O T341890 [0,1,0,0,0,0|2,0,1]=4 646 B6R0.4 CC(=CCCBr)C B470663 [0,1,0,0,0,0|0,0,2]=3 647 B6R0.4 CC(=O)C=COC M113467 [0,1,0,0,0,0|1,0,1]=3 648 B6R0.4 CC(=O)C=COC M434875 [0,1,0,0,0,0|1,0,1]=3 649 B6R0.4 CC(C)CCC#N I157667 [0,1,0,0,0,0|0,0,3]=4 650 B6R0.4 CC(C)CCC=O M586390 [0,1,0,0,0,0|1,0,1]=3 651 B6R0.4 CC(C)CCCBr B152440 [0,1,0,0,0,0|0,0,2]=3 652 B6R0.4 CC(C)CCCO I136441 [0,1,0,0,0,0|0,0,2]=3 653 B6R0.4 CC(C)CN=C=S I140612 [0,1,0,0,0,0|1,0,2]=4 654 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|0,0,2]=3 655 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|0,0,2]=3 656 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|1,0,1]=3 657 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|1,0,1]=3 658 B6R0.4 CC(C)CON=O I157486 [0,1,0,0,0,0|2,0,1]=4 659 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|0,0,2]=3 660 B6R0.4 CC(C)NCCN N159348 [0,1,0,0,0,0|1,0,1]=3 661 B6R0.4 CC(C)NCCO I157482 [0,1,0,0,0,0|1,0,1]=3 662 B6R0.4 CC(C)NCCO I431393 [0,1,0,0,0,0|1,0,1]=3 663 B6R0.4 CC(C)OCCO I106814 [0,1,0,0,0,0|1,0,1]=3 664 B6R0.4 CC(CCCBr)Br D155307 [0,1,0,0,0,0|1,0,2]=4 665 B6R0.4 CC(CCCO)O P171240 [0,1,0,0,0,0|1,0,2]=4 666 B6R0.4 CC=CCC(=O)O P165142 [0,1,0,0,0,0|2,0,1]=4 667 B6R0.4 CCC=CC(=O)O T162309 [0,1,0,0,0,0|2,0,1]=4 668 B6R0.4 CCCCC(C)C M158516 [0,1,0,0,0,0|0,0,2]=3 669 B6R0.4 CCCCC(C)Cl C153661 [0,1,0,0,0,0|1,0,2]=4 670 B6R0.4 CCCCC(C)N B301374 [0,1,0,0,0,0|1,0,2]=4 671 B6R0.4 CCCCC(C)O H105565 [0,1,0,0,0,0|1,0,2]=4 672 B6R0.4 CCCCC(C)O I170762 [0,1,0,0,0,0|1,0,2]=4 673 B6R0.4 CCCCC(C)O R588494 [0,1,0,0,0,0|1,0,2]=4 674 B6R0.4 CCCCN(C)C D108036 [0,1,0,0,0,0|1,0,2]=4 675 B6R0.4 CCCSC(C)C I157608 [0,1,0,0,0,0|0,0,2]=3 676 B6R0.4 CCOCC(C)O E110143 [0,1,0,0,0,0|1,0,2]=4 677 B6R0.4 CN(C)C=CC#N D155421 [0,1,0,0,0,0|1,0,1]=3 678 B6R0.4 CN(C)C=CC#N I169860 [0,1,0,0,0,0|1,0,1]=3 679 B6R0.4 CN(C)C=CC=O D139445 [0,1,0,0,0,0|1,0,1]=3 680 B6R0.4 CN(C)CCCBr B194072 [0,1,0,0,0,0|1,0,2]=4 681 B6R0.4 CN(C)CCCCl C353600 [0,1,0,0,0,0|1,0,2]=4 682 B6R0.4 CN(C)CCCCl D154697 [0,1,0,0,0,0|1,0,2]=4 683 B6R0.4 CN(C)CCCN D110909 [0,1,0,0,0,0|1,0,2]=4 684 B6R0.4 CN(C)CCCN N493682 [0,1,0,0,0,0|1,0,2]=4 685 B6R0.4 CN(C)CCCN N494190 [0,1,0,0,0,0|1,0,2]=4 686 B6R0.4 CN(C)CCCO D106344 [0,1,0,0,0,0|1,0,2]=4 687 B6R0.4 CNCCN(C)C N159374 [0,1,0,0,0,0|1,0,2]=4 688 B6R0.4 CNCCN(C)C N192745 [0,1,0,0,0,0|1,0,2]=4 689 B6R0.5 CC#C[Si](C)(C)C T113981 [0,1,0,0,0,0|0,1,2]=4 690 B6R0.5 CC(C)(C)CC=O D133103 [0,1,0,0,0,0|1,0,1]=3 691 B6R0.5 CC(C)(C)CCBr B405387 [0,1,0,0,0,0|1,0,2]=4 692 B6R0.5 CC(C)(C)CCN D468789 [0,1,0,0,0,0|1,0,2]=4 693 B6R0.5 CC(C)(C)CCO D139098 [0,1,0,0,0,0|1,0,2]=4 694 B6R0.5 CC(C)(C)N=C=S B101363 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.5 CC(C)(C)NC=O N159292 [0,1,0,0,0,0|2,0,0]=3 696 B6R0.5 CC(C)(C)OC=C T139444 [0,1,0,0,0,0|1,0,1]=3 697 B6R0.5 CC(C)(C)OC=O T341498 [0,1,0,0,0,0|2,0,0]=3 698 B6R0.5 CC(C)(C)ON=O B106794 [0,1,0,0,0,0|3,0,0]=4 699 B6R0.5 CC(C)(CC#N)O H167089 [0,1,0,0,0,0|1,0,2]=4 700 B6R0.5 CC(C)(CCN)O A483316 [0,1,0,0,0,0|1,0,2]=4 701 B6R0.5 CC(C)(CCO)O M106425 [0,1,0,0,0,0|1,0,2]=4 702 B6R0.5 CC(C)(CCO)S M138699 [0,1,0,0,0,0|1,0,2]=4 703 B6R0.5 CC(C)(CSC)N M588894 [0,1,0,0,0,0|1,0,1]=3 704 B6R0.5 CCCC(C)(C)C D106287 [0,1,0,0,0,0|0,0,2]=3 705 B6R0.5 CCC[N+](C)(C)C T162053 [0,1,0,0,0,0|1,0,2]=4 706 B6R0.5 CCC[Si](C)(C)Cl C153294 [0,1,0,0,0,0|0,1,2]=4 707 B6R0.5 CCOC(C)(C)C B108911 [0,1,0,0,0,0|1,0,1]=3 708 B6R0.5 CCOC(C)(C)C B108912 [0,1,0,0,0,0|1,0,1]=3 709 B6R0.5 CCO[Si](C)(C)C E109944 [0,1,0,0,0,0|1,1,1]=4 710 B6R0.5 CCO[Si](C)(C)C E140804 [0,1,0,0,0,0|1,1,1]=4 711 B6R0.5 COC[Si](C)(C)C M157801 [0,1,0,0,0,0|1,1,1]=4 712 B6R0.5 C[N+](C)(C)CC=C A191081 [0,1,0,0,0,0|1,0,2]=4 713 B6R0.5 C[Si](C)(C)C=CBr B170236 [0,1,0,0,0,0|1,1,0]=3 714 B6R0.5 C[Si](C)(C)C=CBr B493164 [0,1,0,0,0,0|1,1,0]=3 715 B6R0.5 C[Si](C)(C)C=[N+]=[N-] T106617 [0,1,0,0,0,0|2,1,0]=4 716 B6R0.5 C[Si](C)(C)C=[N+]=[N-] T140538 [0,1,0,0,0,0|2,1,0]=4 717 B6R0.5 C[Si](C)(C)CC=C A107288 [0,1,0,0,0,0|0,1,2]=4 718 B6R0.5 C[Si](C)(C)OC=C T161744 [0,1,0,0,0,0|1,1,1]=4 719 B6R0.5 C[Si](C)(CC=C)Cl A151246 [0,1,0,0,0,0|0,1,2]=4 720 B6R1.2 C1C=CC(=O)N1 D344952 [0,0,0,1,0,0|2,0,1]=4 721 B6R1.2 C1C=CC(=O)O1 F107943 [0,0,0,1,0,0|2,0,1]=4 722 B6R1.2 C1C=CC(=O)S1 H472400 [0,0,0,1,0,0|2,0,1]=4 723 B6R1.2 C1C=CCC1O C141167 [0,0,0,1,0,0|1,0,2]=4 724 B6R1.2 C1CC(=O)C=C1 C139450 [0,0,0,1,0,0|1,0,1]=3 725 B6R1.2 C1CC(OC1)O H355199 [0,0,0,1,0,0|2,0,1]=4 726 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|1,0,2]=4 727 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|1,0,2]=4 728 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|1,0,2]=4 729 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|1,0,2]=4 730 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|1,0,2]=4 731 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|1,0,2]=4 732 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|1,0,2]=4 733 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|2,0,1]=4 734 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|2,0,1]=4 735 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|2,0,1]=4 736 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|2,0,1]=4 737 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|2,0,1]=4 738 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|2,0,1]=4 739 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|2,0,1]=4 740 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|2,0,1]=4 741 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|2,0,1]=4 742 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|2,0,1]=4 743 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|2,0,1]=4 744 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|2,0,1]=4 745 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|2,0,1]=4 746 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|2,0,1]=4 747 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|2,0,1]=4 748 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|2,0,1]=4 749 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|2,0,1]=4 750 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|2,0,1]=4 751 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|2,0,1]=4 752 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|2,0,1]=4 753 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|2,0,1]=4 754 B6R1.2 CC1=CC=CN1 M185725 [0,0,0,1,0,0|1,0,2]=4 755 B6R1.2 CC1=CC=CO1 M110932 [0,0,0,1,0,0|1,0,2]=4 756 B6R1.2 CC1=CC=CS1 M109554 [0,0,0,1,0,0|1,0,2]=4 757 B6R1.2 CC1=CC=NN1 M108005 [0,0,0,1,0,0|2,0,1]=4 758 B6R1.2 CC1=CC=NO1 M158646 [0,0,0,1,0,0|2,0,1]=4 759 B6R1.2 CC1=CCCC1 M158230 [0,0,0,1,0,0|0,0,2]=3 760 B6R1.2 CC1=CNC=C1 M139090 [0,0,0,1,0,0|1,0,2]=4 761 B6R1.2 CC1=COC=C1 M158541 [0,0,0,1,0,0|1,0,2]=4 762 B6R1.2 CC1=CSC=C1 M113676 [0,0,0,1,0,0|1,0,2]=4 763 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|1,0,2]=4 764 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|0,0,2]=3 765 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|0,0,2]=3 766 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|0,0,2]=3 767 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|1,0,1]=3 768 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|1,0,1]=3 769 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|1,0,1]=3 770 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|1,0,1]=3 771 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|1,0,1]=3 772 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|1,0,1]=3 773 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|1,0,1]=3 774 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|1,0,1]=3 775 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|1,0,1]=3 776 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|1,0,1]=3 777 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|1,0,1]=3 778 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|2,0,1]=4 779 B6R1.2 CC1OCCO1 M157785 [0,0,0,1,0,0|2,0,1]=4 780 B6R1.2 CN1C=CC=C1 M100701 [0,0,0,1,0,0|1,0,2]=4 781 B6R1.2 CN1C=CC=N1 M107967 [0,0,0,1,0,0|2,0,1]=4 782 B6R1.2 CN1C=CN=C1 M109227 [0,0,0,1,0,0|2,0,1]=4 783 B6R1.2 CN1C=CN=C1 M300816 [0,0,0,1,0,0|2,0,1]=4 784 B6R1.2 CN1C=CN=C1 M342188 [0,0,0,1,0,0|2,0,1]=4 785 B6R1.2 CN1CCCC1 M109523 [0,0,0,1,0,0|1,0,2]=4 786 B6R1.3 C1CC1CC#N C339744 [0,0,0,1,0,0|1,0,2]=4 787 B6R1.3 C1CC1CCI I176162 [0,0,0,1,0,0|1,0,2]=4 788 B6R1.3 C1CC1CON O194839 [0,0,0,1,0,0|2,0,1]=4 789 B6R1.3 C1CC1N=C=O I184669 [0,0,0,1,0,0|2,0,1]=4 790 B6R1.3 C1CC1N=C=S C140532 [0,0,0,1,0,0|2,0,1]=4 791 B6R1.3 CCCC1CO1 E156390 [0,0,0,1,0,0|1,0,2]=4 792 B6R1.3 COCC1CO1 G156840 [0,0,0,1,0,0|2,0,1]=4 793 B6R1.3 COCC1CO1 R160880 [0,0,0,1,0,0|2,0,1]=4 794 B6R1.3 COCC1CO1 S139136 [0,0,0,1,0,0|2,0,1]=4 795 B6R1.5 CC1CC(=O)O1 B152852 [0,0,0,1,0,0|2,0,0]=3 796 B6R1.5 CN1CC(C1)O H586376 [0,0,0,1,0,0|2,0,1]=4 797 B6R1.5 CN1CC(C1)O M175942 [0,0,0,1,0,0|2,0,1]=4 798 B6R1.10 CC1(CCC1)N M174981 [0,0,0,1,0,0|1,0,2]=4 799 B6R1.10 CC1(CCC1)O M491477 [0,0,0,1,0,0|1,0,2]=4 800 B6R1.10 CC1(COC1)N M136750 [0,0,0,1,0,0|2,0,1]=4 801 B6R1.10 CC1(COC1)O M174660 [0,0,0,1,0,0|2,0,1]=4 802 B6R1.10 C[Si]1(CCC1)C D168803 [0,0,0,1,0,0|0,1,2]=4 803 B6R1.11 CC(C1CC1)N B300122 [0,0,0,1,0,0|1,0,2]=4 804 B6R1.11 CC(C1CC1)N R587936 [0,0,0,1,0,0|1,0,2]=4 805 B6R1.11 CC(C1CC1)N S175013 [0,0,0,1,0,0|1,0,2]=4 806 B6R1.11 CC(C1CC1)O C153900 [0,0,0,1,0,0|1,0,2]=4 807 B3R0.1 C(=C/Cl)/Cl C470392 [2,0,0,0,0,0|2,0,0]=4 808 B3R0.1 C(=C/Cl)/Cl D119830 [2,0,0,0,0,0|2,0,0]=4 809 B3R0.1 C(=CBr)Br D154476 [2,0,0,0,0,0|2,0,0]=4 810 B3R0.1 C(=CCl)Cl D106417 [2,0,0,0,0,0|2,0,0]=4 811 B3R0.1 C(=CCl)Cl D106418 [2,0,0,0,0,0|2,0,0]=4 812 B3R0.1 C(=CCl)Cl D106419 [2,0,0,0,0,0|2,0,0]=4 813 B3R0.1 C(=CCl)Cl D119827 [2,0,0,0,0,0|2,0,0]=4 814 B3R0.1 C(=CCl)Cl D128118 [2,0,0,0,0,0|2,0,0]=4 815 B3R0.1 C(=CCl)Cl D294828 [2,0,0,0,0,0|2,0,0]=4 816 B3R0.1 C(=CCl)Cl D303936 [2,0,0,0,0,0|2,0,0]=4 817 B3R0.1 C(=CCl)Cl T278880 [2,0,0,0,0,0|2,0,0]=4 818 B3R0.1 C(=O)C=O G103129 [2,0,0,0,0,0|2,0,0]=4 819 B3R0.1 C(=O)C=O G103130 [2,0,0,0,0,0|2,0,0]=4 820 B3R0.1 C(=O)C=O G299082 [2,0,0,0,0,0|2,0,0]=4 821 B3R0.1 C=CC#N A299303 [2,0,0,0,0,0|1,0,1]=4 822 B3R0.1 C=CC#N A431344 [2,0,0,0,0,0|1,0,1]=4 823 B3R0.1 C=CC#N P303197 [2,0,0,0,0,0|1,0,1]=4 824 B3R0.1 C=CC#N P303199 [2,0,0,0,0,0|1,0,1]=4 825 B3R0.1 C=CC#N P303200 [2,0,0,0,0,0|1,0,1]=4 826 B3R0.1 C=CC=C P476125 [2,0,0,0,0,0|0,0,2]=4 827 B3R0.1 C=CC=C P478063 [2,0,0,0,0,0|0,0,2]=4 828 B3R0.1 C=CC=C P478297 [2,0,0,0,0,0|0,0,2]=4 829 B3R0.1 C=CC=O A112346 [2,0,0,0,0,0|1,0,1]=4 830 B3R0.1 C=CCBr A108658 [2,0,0,0,0,0|1,0,0]=3 831 B3R0.1 C=CCCl A103820 [2,0,0,0,0,0|1,0,0]=3 832 B3R0.1 C=CCCl A103821 [2,0,0,0,0,0|1,0,0]=3 833 B3R0.1 C=CCCl A103822 [2,0,0,0,0,0|1,0,0]=3 834 B3R0.1 C=CCCl A141152 [2,0,0,0,0,0|1,0,0]=3 835 B3R0.1 C=CCI A109401 [2,0,0,0,0,0|1,0,0]=3 836 B3R0.1 C=CCN A123283 [2,0,0,0,0,0|1,0,0]=3 837 B3R0.1 C=CCN P194734 [2,0,0,0,0,0|1,0,0]=3 838 B3R0.1 C=CCN P432587 [2,0,0,0,0,0|1,0,0]=3 839 B3R0.1 C=CCN P433384 [2,0,0,0,0,0|1,0,0]=3 840 B3R0.1 C=CCN P433385 [2,0,0,0,0,0|1,0,0]=3 841 B3R0.1 CC=CBr B120309 [2,0,0,0,0,0|1,0,0]=3 842 B3R0.1 CC=CBr B151977 [2,0,0,0,0,0|1,0,0]=3 843 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|2,0,0]=4 844 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|1,0,0]=3 845 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|1,0,0]=3 846 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,1]=4 847 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,1]=4 848 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,1]=4 849 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,1]=4 850 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,1]=4 851 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,1]=4 852 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,1]=4 853 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,1]=4 854 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,1]=4 855 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,1]=4 856 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,1]=4 857 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,1]=4 858 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,1]=4 859 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,1]=4 860 B3R0.1 CCCO P110342 [2,0,0,0,0,0|1,0,1]=4 861 B3R0.1 CCCO P110343 [2,0,0,0,0,0|1,0,1]=4 862 B3R0.1 CCCO P110345 [2,0,0,0,0,0|1,0,1]=4 863 B3R0.1 CCCO P110346 [2,0,0,0,0,0|1,0,1]=4 864 B3R0.1 CCCO P110347 [2,0,0,0,0,0|1,0,1]=4 865 B3R0.1 CCCO P110348 [2,0,0,0,0,0|1,0,1]=4 866 B3R0.1 CCCO P119680 [2,0,0,0,0,0|1,0,1]=4 867 B3R0.1 CCCO P301085 [2,0,0,0,0,0|1,0,1]=4 868 B3R0.1 CCCO V343786 [2,0,0,0,0,0|1,0,1]=4 869 B3R0.1 CCCS P100008 [2,0,0,0,0,0|1,0,1]=4 870 B3R0.1 CCCS P103444 [2,0,0,0,0,0|1,0,1]=4 871 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|0,0,2]=4 872 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|0,0,2]=4 873 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|0,0,2]=4 874 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|0,0,2]=4 875 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|0,0,2]=4 876 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|1,0,1]=4 877 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|1,0,1]=4 878 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|1,0,1]=4 879 B3R0.1 CCNO N193370 [2,0,0,0,0,0|2,0,0]=4 880 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 881 B3R0.1 CCSC E140654 [2,0,0,0,0,0|1,0,0]=3 882 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|0,0,1]=3 883 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|1,0,0]=3 884 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|1,0,0]=3 885 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|1,0,0]=3 886 B3R0.1 CNC=O M107591 [2,0,0,0,0,0|2,0,0]=4 887 B3R0.1 CNOC D123576 [2,0,0,0,0,0|2,0,0]=4 888 B3R0.1 COC=C P304875 [2,0,0,0,0,0|1,0,0]=3 889 B3R0.1 COCBr B138143 [2,0,0,0,0,0|2,0,0]=4 890 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|2,0,0]=4 891 B3R0.1 C[Se][Se]C D133995 [2,0,0,0,0,0|2,0,0]=4 892 B3R0.2 CC(=C)Br B124196 [2,0,0,0,0,0|1,0,1]=4 893 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|0,0,1]=3 894 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|0,0,1]=3 895 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|0,0,1]=3 896 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|0,0,1]=3 897 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|0,0,1]=3 898 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|0,0,1]=3 899 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|0,0,1]=3 900 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|0,0,1]=3 901 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|0,0,1]=3 902 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|1,0,1]=4 903 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|1,0,1]=4 904 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|1,0,1]=4 905 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|1,0,1]=4 906 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|1,0,1]=4 907 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|1,0,1]=4 908 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|1,0,1]=4 909 B3R0.2 CC(Br)Br D155317 [2,0,0,0,0,0|2,0,0]=4 910 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,0]=3 911 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,0]=3 912 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,0]=3 913 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,0]=3 914 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,0]=3 915 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,0]=3 916 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,0]=3 917 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,0]=3 918 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,0]=3 919 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,0]=3 920 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|1,0,0]=3 921 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|1,0,0]=3 922 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|1,0,0]=3 923 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|1,0,0]=3 924 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|1,0,0]=3 925 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|1,0,0]=3 926 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|1,0,0]=3 927 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|1,0,0]=3 928 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|1,0,0]=3 929 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|1,0,0]=3 930 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|1,0,0]=3 931 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|1,0,0]=3 932 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|1,0,0]=3 933 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|1,0,0]=3 934 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|1,0,0]=3 935 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|1,0,0]=3 936 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|1,0,0]=3 937 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|1,0,0]=3 938 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|0,0,1]=3 939 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|1,0,0]=3 940 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|1,0,0]=3 941 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|1,0,0]=3 942 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|1,0,0]=3 943 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|1,0,0]=3 944 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|1,0,0]=3 945 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|1,0,0]=3 946 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|1,0,0]=3 947 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|1,0,0]=3 948 B3R0.2 CC(Cl)Cl D119825 [2,0,0,0,0,0|2,0,0]=4 949 B3R0.2 CC(Cl)Cl D128120 [2,0,0,0,0,0|2,0,0]=4 950 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|1,0,0]=3 951 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|1,0,0]=3 952 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|1,0,0]=3 953 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|1,0,0]=3 954 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|1,0,0]=3 955 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|1,0,0]=3 956 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|1,0,0]=3 957 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|1,0,0]=3 958 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|2,0,0]=4 959 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|2,0,0]=4 960 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|2,0,0]=4 961 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|2,0,0]=4 962 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|2,0,0]=4 963 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|2,0,0]=4 964 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|2,0,0]=4 965 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|2,0,0]=4 966 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|2,0,0]=4 967 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|2,0,0]=4 968 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|2,0,0]=4 969 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|2,0,0]=4 970 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|2,0,0]=4 971 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|2,0,0]=4 972 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|2,0,0]=4 973 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|2,0,0]=4 974 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|2,0,0]=4 975 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|2,0,0]=4 976 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|2,0,0]=4 977 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|2,0,0]=4 978 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 979 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|0,0,1]=3 980 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|0,0,1]=3 981 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|1,0,0]=3 982 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|2,0,0]=4 983 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 984 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|1,0,0]=3 985 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|1,0,0]=3 986 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|1,0,0]=3 987 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|1,1,0]=4 988 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|1,0,0]=3 989 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|1,0,0]=3 990 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|1,0,0]=3 991 B5R0.3 C(C(C=O)O)O D134978 [1,1,0,0,0,0|2,0,0]=4 992 B5R0.3 C(C(C=O)O)O D589509 [1,1,0,0,0,0|2,0,0]=4 993 B5R0.3 C(C(C=O)O)O S138916 [1,1,0,0,0,0|2,0,0]=4 994 B5R0.3 C=CC(C=C)O P346741 [1,1,0,0,0,0|1,0,1]=4 995 B5R0.3 C=CC(CCl)Cl D155424 [1,1,0,0,0,0|1,0,0]=3 996 B5R0.3 C=CC(CO)O B589259 [1,1,0,0,0,0|1,0,0]=3 997 B5R0.3 CC(C=C)C#N M158306 [1,1,0,0,0,0|0,0,1]=3 998 B5R0.3 CC(CN)CO A483603 [1,1,0,0,0,0|1,0,1]=4 999 B5R0.3 CC(CO)CBr R469876 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.3 CC(CO)CBr S469920 [1,1,0,0,0,0|1,0,1]=4 1001 B5R0.3 CC(CO)CO M141411 [1,1,0,0,0,0|1,0,1]=4 1002 B5R0.3 CC(CO)OC R194193 [1,1,0,0,0,0|1,0,0]=3 1003 B5R0.3 CC(OC)OC D155919 [1,1,0,0,0,0|1,0,0]=3 1004 B5R0.3 CC=C(C)C#N M158305 [1,1,0,0,0,0|0,0,2]=4 1005 B5R0.3 CC=C(C)C=O T161495 [1,1,0,0,0,0|0,0,2]=4 1006 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|0,0,1]=3 1007 B5R0.3 CCC(C)C#N M158304 [1,1,0,0,0,0|0,0,2]=4 1008 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|0,0,0]=2 1009 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|1,0,0]=3 1010 B5R0.3 CCC(C)CBr B120302 [1,1,0,0,0,0|0,0,1]=3 1011 B5R0.3 CCC(C)CBr B188983 [1,1,0,0,0,0|0,0,1]=3 1012 B5R0.3 CCC(C)CC M109051 [1,1,0,0,0,0|0,0,1]=3 1013 B5R0.3 CCC(C)CC M109052 [1,1,0,0,0,0|0,0,1]=3 1014 B5R0.3 CCC(C)CCl C153548 [1,1,0,0,0,0|0,0,1]=3 1015 B5R0.3 CCC(C)CCl S160982 [1,1,0,0,0,0|0,0,1]=3 1016 B5R0.3 CCC(C)CI I157547 [1,1,0,0,0,0|0,0,1]=3 1017 B5R0.3 CCC(C)CN S467250 [1,1,0,0,0,0|0,0,1]=3 1018 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|0,0,1]=3 1019 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|0,0,1]=3 1020 B5R0.3 CCC(C)CS M103069 [1,1,0,0,0,0|0,0,1]=3 1021 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|0,0,1]=3 1022 B5R0.3 CCC(C=C)O P160532 [1,1,0,0,0,0|1,0,0]=3 1023 B5R0.3 CCC(CBr)Br D102336 [1,1,0,0,0,0|1,0,1]=4 1024 B5R0.3 CCC(CBr)O B152045 [1,1,0,0,0,0|1,0,1]=4 1025 B5R0.3 CCC(CC)Br B106965 [1,1,0,0,0,0|1,0,1]=4 1026 B5R0.3 CCC(CC)N A133949 [1,1,0,0,0,0|1,0,1]=4 1027 B5R0.3 CCC(CC)O P109359 [1,1,0,0,0,0|1,0,1]=4 1028 B5R0.3 CCC(CCl)Cl D155318 [1,1,0,0,0,0|1,0,1]=4 1029 B5R0.3 CCC(CN)O A151121 [1,1,0,0,0,0|1,0,1]=4 1030 B5R0.3 CCC(CO)N A106025 [1,1,0,0,0,0|1,0,1]=4 1031 B5R0.3 CCC(CO)N A107264 [1,1,0,0,0,0|1,0,1]=4 1032 B5R0.3 CCC(CO)N A107265 [1,1,0,0,0,0|1,0,1]=4 1033 B5R0.3 CCC(CO)O B153217 [1,1,0,0,0,0|1,0,1]=4 1034 B5R0.3 CCC(CO)O B300651 [1,1,0,0,0,0|1,0,1]=4 1035 B5R0.3 CCC(CO)O R160952 [1,1,0,0,0,0|1,0,1]=4 1036 B5R0.3 CCC(CO)O S161003 [1,1,0,0,0,0|1,0,1]=4 1037 B5R0.3 CCC(CS)S B152748 [1,1,0,0,0,0|1,0,1]=4 1038 B5R0.3 CCN(C)CC N159249 [1,1,0,0,0,0|1,0,1]=4 1039 B5R0.3 CC[Si](C)CC D337339 [1,1,0,0,0,0|0,1,1]=4 1040 B5R0.3 CN(C=O)OC N588715 [1,1,0,0,0,0|2,0,0]=4 1041 B5R0.3 CNC(=O)C=C N189941 [1,1,0,0,0,0|1,0,1]=4 1042 B5R0.3 COC(=O)C=C M100029 [1,1,0,0,0,0|1,0,1]=4 1043 B5R0.3 COC(=O)C=C M100030 [1,1,0,0,0,0|1,0,1]=4 1044 B5R0.3 COC(=O)C=C M100032 [1,1,0,0,0,0|1,0,1]=4 1045 B5R0.3 COC(=O)C=C M100033 [1,1,0,0,0,0|1,0,1]=4 1046 B5R0.4 C=CC(F)(F)Br B151991 [1,1,0,0,0,0|2,0,0]=4 1047 B5R0.4 CC(C)(C#C)Cl W132347 [1,1,0,0,0,0|0,0,2]=4 1048 B5R0.4 CC(C)(C#C)N M138627 [1,1,0,0,0,0|0,0,2]=4 1049 B5R0.4 CC(C)(C#C)O M107736 [1,1,0,0,0,0|0,0,2]=4 1050 B5R0.4 CC(C)(C#N)I I157654 [1,1,0,0,0,0|1,0,1]=4 1051 B5R0.4 CC(C)(C#N)N A184859 [1,1,0,0,0,0|1,0,1]=4 1052 B5R0.4 CC(C)(C)C#N P160477 [1,1,0,0,0,0|1,0,1]=4 1053 B5R0.4 CC(C)(C)C=C D111800 [1,1,0,0,0,0|0,0,0]=2 1054 B5R0.4 CC(C)(C)C=O T106594 [1,1,0,0,0,0|1,0,0]=3 1055 B5R0.4 CC(C)(C)C=O T639228 [1,1,0,0,0,0|1,0,0]=3 1056 B5R0.4 CC(C)(C)CBr B472553 [1,1,0,0,0,0|1,0,1]=4 1057 B5R0.4 CC(C)(C)CN D191210 [1,1,0,0,0,0|1,0,1]=4 1058 B5R0.4 CC(C)(C)CN N159082 [1,1,0,0,0,0|1,0,1]=4 1059 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|1,0,1]=4 1060 B5R0.4 CC(C)(C)N=[Ta] T283059 [1,1,0,0,0,0|2,0,0]=4 1061 B5R0.4 CC(C)(C)NC N339191 [1,1,0,0,0,0|1,0,0]=3 1062 B5R0.4 CC(C)(C)NN I135282 [1,1,0,0,0,0|2,0,0]=4 1063 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|2,0,0]=4 1064 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|2,0,0]=4 1065 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|2,0,0]=4 1066 B5R0.4 CC(C)(C)OC B108113 [1,1,0,0,0,0|1,0,0]=3 1067 B5R0.4 CC(C)(C)OC B108114 [1,1,0,0,0,0|1,0,0]=3 1068 B5R0.4 CC(C)(C)OC B108115 [1,1,0,0,0,0|1,0,0]=3 1069 B5R0.4 CC(C)(C)OC B108116 [1,1,0,0,0,0|1,0,0]=3 1070 B5R0.4 CC(C)(C)OC B108117 [1,1,0,0,0,0|1,0,0]=3 1071 B5R0.4 CC(C)(C)OC B108119 [1,1,0,0,0,0|1,0,0]=3 1072 B5R0.4 CC(C)(C)OC B108120 [1,1,0,0,0,0|1,0,0]=3 1073 B5R0.4 CC(C)(C)OC B108121 [1,1,0,0,0,0|1,0,0]=3 1074 B5R0.4 CC(C)(C)OC B119671 [1,1,0,0,0,0|1,0,0]=3 1075 B5R0.4 CC(C)(C)OC T432179 [1,1,0,0,0,0|1,0,0]=3 1076 B5R0.4 CC(C)(C)ON O135125 [1,1,0,0,0,0|2,0,0]=4 1077 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|2,0,0]=4 1078 B5R0.4 CC(C)(C)[N+]#[C-] B106836 [1,1,0,0,0,0|1,0,1]=4 1079 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|0,0,0]=2 1080 B5R0.4 CC(C)(CBr)Br D472522 [1,1,0,0,0,0|1,0,1]=4 1081 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|1,0,1]=4 1082 B5R0.4 CC(C)(CCl)Cl D589600 [1,1,0,0,0,0|1,0,1]=4 1083 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|1,0,1]=4 1084 B5R0.4 CC(C)(CN)N D155077 [1,1,0,0,0,0|1,0,1]=4 1085 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|1,0,1]=4 1086 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|1,0,1]=4 1087 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|1,0,1]=4 1088 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|1,0,1]=4 1089 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|1,0,1]=4 1090 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|0,0,1]=3 1091 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|0,0,1]=3 1092 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|0,0,1]=3 1093 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|0,0,1]=3 1094 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|0,0,1]=3 1095 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|0,0,1]=3 1096 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|0,0,1]=3 1097 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|0,0,1]=3 1098 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|0,0,1]=3 1099 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|0,0,1]=3 1100 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|0,0,1]=3 1101 B5R0.4 CCC(C)(Cl)Cl D155312 [1,1,0,0,0,0|1,0,1]=4 1102 B5R0.4 CC[N+](C)(C)C E156357 [1,1,0,0,0,0|1,0,1]=4 1103 B5R0.4 CC[Si](C)(C)Cl D155943 [1,1,0,0,0,0|0,1,1]=4 1104 B5R0.4 CO[Si](C)(C)C M158463 [1,1,0,0,0,0|1,1,0]=4 1105 B5R0.4 CO[Si](C)(C)C M489683 [1,1,0,0,0,0|1,1,0]=4 1106 B5R0.4 CS(=O)(=O)C=C M169945 [1,1,0,0,0,0|2,0,0]=4 1107 B5R0.4 C[N+](C)(C)C=C T161689 [1,1,0,0,0,0|1,0,0]=3 1108 B5R0.4 C[Si](C)(C)C=C N124096 [1,1,0,0,0,0|0,1,0]=3 1109 B5R0.4 C[Si](C)(C)C=C V111798 [1,1,0,0,0,0|0,1,0]=3 1110 B5R0.4 C[Si](C)(C=C)Cl C153511 [1,1,0,0,0,0|0,1,0]=3 1111 B5R0.4 C[Si](C=C)(Cl)Cl D154195 [1,1,0,0,0,0|1,1,0]=4 1112 B5R0.5 B(C(C)C)(O)O I120299 [1,1,0,0,0,0|2,0,0]=4 1113 B5R0.5 CC(=C(C)C)C D107648 [1,1,0,0,0,0|0,0,1]=3 1114 B5R0.5 CC(=C)C(=C)C D155426 [1,1,0,0,0,0|0,0,2]=4 1115 B5R0.5 CC(=C)C(=O)C I107938 [1,1,0,0,0,0|0,0,2]=4 1116 B5R0.5 CC(=O)C(=O)C B104601 [1,1,0,0,0,0|1,0,1]=4 1117 B5R0.5 CC(=O)C(=O)C B104602 [1,1,0,0,0,0|1,0,1]=4 1118 B5R0.5 CC(=O)C(=O)C B104603 [1,1,0,0,0,0|1,0,1]=4 1119 B5R0.5 CC(=O)C(=O)C B432715 [1,1,0,0,0,0|1,0,1]=4 1120 B5R0.5 CC(=O)N(C)C D108094 [1,1,0,0,0,0|1,0,0]=3 1121 B5R0.5 CC(=O)N(C)C D108095 [1,1,0,0,0,0|1,0,0]=3 1122 B5R0.5 CC(=O)N(C)C D108096 [1,1,0,0,0,0|1,0,0]=3 1123 B5R0.5 CC(=O)N(C)C D108098 [1,1,0,0,0,0|1,0,0]=3 1124 B5R0.5 CC(=O)N(C)C D108099 [1,1,0,0,0,0|1,0,0]=3 1125 B5R0.5 CC(=O)N(C)C D108100 [1,1,0,0,0,0|1,0,0]=3 1126 B5R0.5 CC(=O)N(C)C D119664 [1,1,0,0,0,0|1,0,0]=3 1127 B5R0.5 CC(=O)N(C)C D121274 [1,1,0,0,0,0|1,0,0]=3 1128 B5R0.5 CC(=S)N(C)C N140450 [1,1,0,0,0,0|1,0,0]=3 1129 B5R0.5 CC(C(=O)Br)Br B106918 [1,1,0,0,0,0|2,0,0]=4 1130 B5R0.5 CC(C(=O)C)Br B195163 [1,1,0,0,0,0|1,0,0]=3 1131 B5R0.5 CC(C(=O)C)Cl C136316 [1,1,0,0,0,0|1,0,0]=3 1132 B5R0.5 CC(C(=O)C)N A168580 [1,1,0,0,0,0|1,0,0]=3 1133 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|1,0,0]=3 1134 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|1,0,0]=3 1135 B5R0.5 CC(C(=O)C)S M102955 [1,1,0,0,0,0|1,0,0]=3 1136 B5R0.5 CC(C(=O)Cl)Br B119905 [1,1,0,0,0,0|2,0,0]=4 1137 B5R0.5 CC(C(=O)Cl)Cl C102420 [1,1,0,0,0,0|2,0,0]=4 1138 B5R0.5 CC(C(=O)Cl)Cl C401784 [1,1,0,0,0,0|2,0,0]=4 1139 B5R0.5 CC(C(=O)N)Br B474352 [1,1,0,0,0,0|2,0,0]=4 1140 B5R0.5 CC(C(=O)N)Cl C169221 [1,1,0,0,0,0|2,0,0]=4 1141 B5R0.5 CC(C(=O)N)N A117207 [1,1,0,0,0,0|2,0,0]=4 1142 B5R0.5 CC(C(=O)N)N H589984 [1,1,0,0,0,0|2,0,0]=4 1143 B5R0.5 CC(C(=O)N)N R192946 [1,1,0,0,0,0|2,0,0]=4 1144 B5R0.5 CC(C(=O)N)O R139052 [1,1,0,0,0,0|2,0,0]=4 1145 B5R0.5 CC(C(=O)N)O S469819 [1,1,0,0,0,0|2,0,0]=4 1146 B5R0.5 CC(C(=O)O)Br B106080 [1,1,0,0,0,0|2,0,0]=4 1147 B5R0.5 CC(C(=O)O)Br B106920 [1,1,0,0,0,0|2,0,0]=4 1148 B5R0.5 CC(C(=O)O)Br R160937 [1,1,0,0,0,0|2,0,0]=4 1149 B5R0.5 CC(C(=O)O)Cl C106527 [1,1,0,0,0,0|2,0,0]=4 1150 B5R0.5 CC(C(=O)O)Cl C109467 [1,1,0,0,0,0|2,0,0]=4 1151 B5R0.5 CC(C(=O)O)Cl C140796 [1,1,0,0,0,0|2,0,0]=4 1152 B5R0.5 CC(C(=O)O)Cl R160939 [1,1,0,0,0,0|2,0,0]=4 1153 B5R0.5 CC(C(=O)O)F F469437 [1,1,0,0,0,0|2,0,0]=4 1154 B5R0.5 CC(C(=O)O)N A100051 [1,1,0,0,0,0|2,0,0]=4 1155 B5R0.5 CC(C(=O)O)N A108263 [1,1,0,0,0,0|2,0,0]=4 1156 B5R0.5 CC(C(=O)O)N A109095 [1,1,0,0,0,0|2,0,0]=4 1157 B5R0.5 CC(C(=O)O)N A117757 [1,1,0,0,0,0|2,0,0]=4 1158 B5R0.5 CC(C(=O)O)N A117758 [1,1,0,0,0,0|2,0,0]=4 1159 B5R0.5 CC(C(=O)O)N A118860 [1,1,0,0,0,0|2,0,0]=4 1160 B5R0.5 CC(C(=O)O)N D423466 [1,1,0,0,0,0|2,0,0]=4 1161 B5R0.5 CC(C(=O)O)N D472023 [1,1,0,0,0,0|2,0,0]=4 1162 B5R0.5 CC(C(=O)O)N D474151 [1,1,0,0,0,0|2,0,0]=4 1163 B5R0.5 CC(C(=O)O)N L424776 [1,1,0,0,0,0|2,0,0]=4 1164 B5R0.5 CC(C(=O)O)N S432937 [1,1,0,0,0,0|2,0,0]=4 1165 B5R0.5 CC(C(=O)O)O L107595 [1,1,0,0,0,0|2,0,0]=4 1166 B5R0.5 CC(C(=O)O)O L107596 [1,1,0,0,0,0|2,0,0]=4 1167 B5R0.5 CC(C(=O)O)O L108839 [1,1,0,0,0,0|2,0,0]=4 1168 B5R0.5 CC(C(=O)O)O L108841 [1,1,0,0,0,0|2,0,0]=4 1169 B5R0.5 CC(C(=O)O)O L122089 [1,1,0,0,0,0|2,0,0]=4 1170 B5R0.5 CC(C(=O)O)O L122090 [1,1,0,0,0,0|2,0,0]=4 1171 B5R0.5 CC(C(=O)O)O L291729 [1,1,0,0,0,0|2,0,0]=4 1172 B5R0.5 CC(C(=O)O)O L291730 [1,1,0,0,0,0|2,0,0]=4 1173 B5R0.5 CC(C(=O)O)O L291731 [1,1,0,0,0,0|2,0,0]=4 1174 B5R0.5 CC(C(=O)O)O L291732 [1,1,0,0,0,0|2,0,0]=4 1175 B5R0.5 CC(C(=O)O)O L425989 [1,1,0,0,0,0|2,0,0]=4 1176 B5R0.5 CC(C(=O)O)O P169115 [1,1,0,0,0,0|2,0,0]=4 1177 B5R0.5 CC(C(=O)O)O S161106 [1,1,0,0,0,0|2,0,0]=4 1178 B5R0.5 CC(C(=O)O)S T162374 [1,1,0,0,0,0|2,0,0]=4 1179 B5R0.5 CC(C(=O)[O-])O A303861 [1,1,0,0,0,0|2,0,0]=4 1180 B5R0.5 CC(C(=O)[O-])O C110506 [1,1,0,0,0,0|2,0,0]=4 1181 B5R0.5 CC(C(=O)[O-])O C304709 [1,1,0,0,0,0|2,0,0]=4 1182 B5R0.5 CC(C(=O)[O-])O D304649 [1,1,0,0,0,0|2,0,0]=4 1183 B5R0.5 CC(C(=O)[O-])O I350723 [1,1,0,0,0,0|2,0,0]=4 1184 B5R0.5 CC(C(=O)[O-])O L104219 [1,1,0,0,0,0|2,0,0]=4 1185 B5R0.5 CC(C(=O)[O-])O L133140 [1,1,0,0,0,0|2,0,0]=4 1186 B5R0.5 CC(C(=O)[O-])O M305218 [1,1,0,0,0,0|2,0,0]=4 1187 B5R0.5 CC(C(=O)[O-])O P113770 [1,1,0,0,0,0|2,0,0]=4 1188 B5R0.5 CC(C(=O)[O-])O P305067 [1,1,0,0,0,0|2,0,0]=4 1189 B5R0.5 CC(C(=O)[O-])O S108837 [1,1,0,0,0,0|2,0,0]=4 1190 B5R0.5 CC(C(=O)[O-])O S108838 [1,1,0,0,0,0|2,0,0]=4 1191 B5R0.5 CC(C(=O)[O-])O S301759 [1,1,0,0,0,0|2,0,0]=4 1192 B5R0.5 CC(C(=O)[O-])O S302327 [1,1,0,0,0,0|2,0,0]=4 1193 B5R0.5 CC(C(=O)[O-])O S334655 [1,1,0,0,0,0|2,0,0]=4 1194 B5R0.5 CC(C(=O)[O-])O S426464 [1,1,0,0,0,0|2,0,0]=4 1195 B5R0.5 CC(C(=O)[O-])O S465689 [1,1,0,0,0,0|2,0,0]=4 1196 B5R0.5 CC(C(C)Cl)Cl D155309 [1,1,0,0,0,0|1,0,1]=4 1197 B5R0.5 CC(C(C)O)O B103428 [1,1,0,0,0,0|1,0,1]=4 1198 B5R0.5 CC(C(C)O)O B424414 [1,1,0,0,0,0|1,0,1]=4 1199 B5R0.5 CC(C(C)O)O R135716 [1,1,0,0,0,0|1,0,1]=4 1200 B5R0.5 CC(C(C)O)O R422817 [1,1,0,0,0,0|1,0,1]=4 1201 B5R0.5 CC(C(C)O)O R470710 [1,1,0,0,0,0|1,0,1]=4 1202 B5R0.5 CC(C(C)O)O S160997 [1,1,0,0,0,0|1,0,1]=4 1203 B5R0.5 CC(C(C)S)O M102962 [1,1,0,0,0,0|1,0,1]=4 1204 B5R0.5 CC(C(C)S)O M158761 [1,1,0,0,0,0|1,0,1]=4 1205 B5R0.5 CC(C(C)S)S B102921 [1,1,0,0,0,0|1,0,1]=4 1206 B5R0.5 CC(C)C(=C)C D101515 [1,1,0,0,0,0|0,0,0]=2 1207 B5R0.5 CC(C)C(=N)N I335550 [1,1,0,0,0,0|1,0,0]=3 1208 B5R0.5 CC(C)C(=O)C M103677 [1,1,0,0,0,0|0,0,0]=2 1209 B5R0.5 CC(C)C(=O)C M103678 [1,1,0,0,0,0|0,0,0]=2 1210 B5R0.5 CC(C)C(=O)Cl I107549 [1,1,0,0,0,0|1,0,0]=3 1211 B5R0.5 CC(C)C(=O)N I157612 [1,1,0,0,0,0|1,0,0]=3 1212 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|1,0,0]=3 1213 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|1,0,0]=3 1214 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|1,0,0]=3 1215 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|1,0,0]=3 1216 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|1,0,0]=3 1217 B5R0.5 CC(C)C(=O)[O-] P160181 [1,1,0,0,0,0|1,0,0]=3 1218 B5R0.5 CC(C)C(=S)N T140153 [1,1,0,0,0,0|1,0,0]=3 1219 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|0,0,1]=3 1220 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|0,0,1]=3 1221 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|0,0,1]=3 1222 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|0,0,1]=3 1223 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|0,0,1]=3 1224 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|0,0,1]=3 1225 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|0,0,1]=3 1226 B5R0.5 CC(C)N(C)C N159099 [1,1,0,0,0,0|1,0,0]=3 1227 B5R0.5 CC(C)[N+](=O)[O-] N107506 [1,1,0,0,0,0|2,0,0]=4 1228 B5R0.5 CC(C)[Si](C)C D356950 [1,1,0,0,0,0|0,1,0]=3 1229 B5R0.5 CN(C)C(=N)N D154660 [1,1,0,0,0,0|2,0,0]=4 1230 B5R0.5 CN(C)C(=O)Cl D106525 [1,1,0,0,0,0|2,0,0]=4 1231 B5R0.5 CN(C)C(=O)N D155381 [1,1,0,0,0,0|2,0,0]=4 1232 B5R0.5 CN(C)C(=S)Cl N135547 [1,1,0,0,0,0|2,0,0]=4 1233 B5R0.5 CN(C)C(=S)S D154695 [1,1,0,0,0,0|2,0,0]=4 1234 B5R0.5 CN(C)C(=S)[S-] C154089 [1,1,0,0,0,0|2,0,0]=4 1235 B5R0.5 CN(C)C(=S)[S-] F114609 [1,1,0,0,0,0|2,0,0]=4 1236 B5R0.5 CN(C)C(=S)[S-] F137780 [1,1,0,0,0,0|2,0,0]=4 1237 B5R0.5 CN(C)C(=S)[S-] S106280 [1,1,0,0,0,0|2,0,0]=4 1238 B5R0.5 CN(C)C(=S)[S-] Z162995 [1,1,0,0,0,0|2,0,0]=4 1239 B5R0.5 C[N+](=C(Cl)Cl)C D155316 [1,1,0,0,0,0|2,0,0]=4 1240 B5R0.2 C(C=CCBr)Br T121197 [1,1,0,0,0,0|1,0,0]=3 1241 B5R0.2 C(C=CCCl)Cl C141162 [1,1,0,0,0,0|1,0,0]=3 1242 B5R0.2 C(C=CCCl)Cl D102461 [1,1,0,0,0,0|1,0,0]=3 1243 B5R0.2 C(C=CCCl)Cl D102462 [1,1,0,0,0,0|1,0,0]=3 1244 B5R0.2 C(C=CCCl)Cl D155430 [1,1,0,0,0,0|1,0,0]=3 1245 B5R0.2 C(C=CCO)O B107560 [1,1,0,0,0,0|1,0,0]=3 1246 B5R0.2 C(C=CCO)O B111227 [1,1,0,0,0,0|1,0,0]=3 1247 B5R0.2 C(C=CCO)O T162684 [1,1,0,0,0,0|1,0,0]=3 1248 B5R0.2 C=CCCCBr B107734 [1,1,0,0,0,0|0,0,2]=4 1249 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|0,0,2]=4 1250 B5R0.2 C=COCCO E135293 [1,1,0,0,0,0|1,0,1]=4 1251 B5R0.2 CC#CCCO P160656 [1,1,0,0,0,0|0,0,2]=4 1252 B5R0.2 CC=CC=CC H113628 [1,1,0,0,0,0|0,0,1]=3 1253 B5R0.2 CC=CCC#N P338284 [1,1,0,0,0,0|0,0,1]=3 1254 B5R0.2 CC=CCC=C H157263 [1,1,0,0,0,0|0,0,1]=3 1255 B5R0.2 CC=CCC=C T162375 [1,1,0,0,0,0|0,0,1]=3 1256 B5R0.2 CCC#CCBr B136107 [1,1,0,0,0,0|0,0,2]=4 1257 B5R0.2 CCC#CCC H157357 [1,1,0,0,0,0|0,0,2]=4 1258 B5R0.2 CCC#CCO P160655 [1,1,0,0,0,0|0,0,2]=4 1259 B5R0.2 CCC=CC#N P160478 [1,1,0,0,0,0|0,0,1]=3 1260 B5R0.2 CCC=CC=O T161487 [1,1,0,0,0,0|0,0,1]=3 1261 B5R0.2 CCC=CCC C153487 [1,1,0,0,0,0|0,0,0]=2 1262 B5R0.2 CCC=CCC H157267 [1,1,0,0,0,0|0,0,0]=2 1263 B5R0.2 CCC=CCC T162372 [1,1,0,0,0,0|0,0,0]=2 1264 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|0,0,0]=2 1265 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|0,0,0]=2 1266 B5R0.2 CCCC#CC H157356 [1,1,0,0,0,0|0,0,2]=4 1267 B5R0.2 CCCC=CC C153486 [1,1,0,0,0,0|0,0,0]=2 1268 B5R0.2 CCCC=CC H157262 [1,1,0,0,0,0|0,0,0]=2 1269 B5R0.2 CCCC=CC T162371 [1,1,0,0,0,0|0,0,0]=2 1270 B5R0.2 CCCC=NO B152406 [1,1,0,0,0,0|1,0,1]=4 1271 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|0,0,2]=4 1272 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|0,0,2]=4 1273 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|0,0,2]=4 1274 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|0,0,2]=4 1275 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|1,0,1]=4 1276 B5R0.2 CCCCCBr B104782 [1,1,0,0,0,0|0,0,2]=4 1277 B5R0.2 CCCCCBr B305762 [1,1,0,0,0,0|0,0,2]=4 1278 B5R0.2 CCCCCC H100107 [1,1,0,0,0,0|0,0,2]=4 1279 B5R0.2 CCCCCC H109653 [1,1,0,0,0,0|0,0,2]=4 1280 B5R0.2 CCCCCC H109654 [1,1,0,0,0,0|0,0,2]=4 1281 B5R0.2 CCCCCC H109656 [1,1,0,0,0,0|0,0,2]=4 1282 B5R0.2 CCCCCC H109659 [1,1,0,0,0,0|0,0,2]=4 1283 B5R0.2 CCCCCC H119662 [1,1,0,0,0,0|0,0,2]=4 1284 B5R0.2 CCCCCC H121283 [1,1,0,0,0,0|0,0,2]=4 1285 B5R0.2 CCCCCC H140380 [1,1,0,0,0,0|0,0,2]=4 1286 B5R0.2 CCCCCC H298923 [1,1,0,0,0,0|0,0,2]=4 1287 B5R0.2 CCCCCC N431441 [1,1,0,0,0,0|0,0,2]=4 1288 B5R0.2 CCCCCCl C109473 [1,1,0,0,0,0|0,0,2]=4 1289 B5R0.2 CCCCCCl C109474 [1,1,0,0,0,0|0,0,2]=4 1290 B5R0.2 CCCCCF F171115 [1,1,0,0,0,0|0,0,2]=4 1291 B5R0.2 CCCCCI I104798 [1,1,0,0,0,0|0,0,2]=4 1292 B5R0.2 CCCCCN A105343 [1,1,0,0,0,0|0,0,2]=4 1293 B5R0.2 CCCCCN P292685 [1,1,0,0,0,0|0,0,2]=4 1294 B5R0.2 CCCCCN P292697 [1,1,0,0,0,0|0,0,2]=4 1295 B5R0.2 CCCCCN P292701 [1,1,0,0,0,0|0,0,2]=4 1296 B5R0.2 CCCCCN P494144 [1,1,0,0,0,0|0,0,2]=4 1297 B5R0.2 CCCCCO N350217 [1,1,0,0,0,0|0,0,2]=4 1298 B5R0.2 CCCCCO P108125 [1,1,0,0,0,0|0,0,2]=4 1299 B5R0.2 CCCCCO P108126 [1,1,0,0,0,0|0,0,2]=4 1300 B5R0.2 CCCCCO P108127 [1,1,0,0,0,0|0,0,2]=4 1301 B5R0.2 CCCCCO P108128 [1,1,0,0,0,0|0,0,2]=4 1302 B5R0.2 CCCCCO P108129 [1,1,0,0,0,0|0,0,2]=4 1303 B5R0.2 CCCCCO P108130 [1,1,0,0,0,0|0,0,2]=4 1304 B5R0.2 CCCCCS A100028 [1,1,0,0,0,0|0,0,2]=4 1305 B5R0.2 CCCCOC B152821 [1,1,0,0,0,0|0,0,2]=4 1306 B5R0.2 CCCCSC B152508 [1,1,0,0,0,0|0,0,2]=4 1307 B5R0.2 CCCNCC N159096 [1,1,0,0,0,0|0,0,2]=4 1308 B5R0.2 CCCOC=C P137362 [1,1,0,0,0,0|0,0,2]=4 1309 B5R0.2 CCCOC=O P160055 [1,1,0,0,0,0|1,0,1]=4 1310 B5R0.2 CCCOCC E156162 [1,1,0,0,0,0|0,0,2]=4 1311 B5R0.2 CCCSCC E134963 [1,1,0,0,0,0|0,0,2]=4 1312 B5R0.2 CCCSSC M103114 [1,1,0,0,0,0|1,0,1]=4 1313 B5R0.2 CCNCCN N138023 [1,1,0,0,0,0|1,0,1]=4 1314 B5R0.2 CCNCCO E156112 [1,1,0,0,0,0|1,0,1]=4 1315 B5R0.2 CCNCCO E301665 [1,1,0,0,0,0|1,0,1]=4 1316 B5R0.2 CCNNCC D487275 [1,1,0,0,0,0|1,0,1]=4 1317 B5R0.2 CCOC=CC E122346 [1,1,0,0,0,0|0,0,0]=2 1318 B5R0.2 CCOCC=C A151091 [1,1,0,0,0,0|0,0,2]=4 1319 B5R0.2 CCOCCBr B152837 [1,1,0,0,0,0|1,0,1]=4 1320 B5R0.2 CCOCCCl C153264 [1,1,0,0,0,0|1,0,1]=4 1321 B5R0.2 CCOCCN E156296 [1,1,0,0,0,0|1,0,1]=4 1322 B5R0.2 CCOCCO E110821 [1,1,0,0,0,0|1,0,1]=4 1323 B5R0.2 CCOCCO E110822 [1,1,0,0,0,0|1,0,1]=4 1324 B5R0.2 CCOCCO E118463 [1,1,0,0,0,0|1,0,1]=4 1325 B5R0.2 CCSCCCl C102885 [1,1,0,0,0,0|1,0,1]=4 1326 B5R0.2 CCSCCN E170901 [1,1,0,0,0,0|1,0,1]=4 1327 B5R0.2 CCSCCN E300178 [1,1,0,0,0,0|1,0,1]=4 1328 B5R0.2 CCSCCO E156428 [1,1,0,0,0,0|1,0,1]=4 1329 B5R0.2 CCSSCC D140646 [1,1,0,0,0,0|1,0,1]=4 1330 B5R0.2 CC[Se][Se]CC D155798 [1,1,0,0,0,0|1,0,1]=4 1331 B5R0.2 CNCCCN N104493 [1,1,0,0,0,0|1,0,1]=4 1332 B5R0.2 CNCCCO M133702 [1,1,0,0,0,0|1,0,1]=4 1333 B5R0.2 CNCCNC D106275 [1,1,0,0,0,0|1,0,1]=4 1334 B5R0.2 CNCCOC N159090 [1,1,0,0,0,0|1,0,1]=4 1335 B5R0.2 COCCCBr B136284 [1,1,0,0,0,0|1,0,1]=4 1336 B5R0.2 COCCCCl C108061 [1,1,0,0,0,0|1,0,1]=4 1337 B5R0.2 COCCCN M134485 [1,1,0,0,0,0|1,0,1]=4 1338 B5R0.2 COCCCN M587821 [1,1,0,0,0,0|1,0,1]=4 1339 B5R0.2 COCCCO M107732 [1,1,0,0,0,0|1,0,1]=4 1340 B5R0.2 COCCOC D299631 [1,1,0,0,0,0|1,0,1]=4 1341 B5R0.2 COCCOC E104387 [1,1,0,0,0,0|1,0,1]=4 1342 B5R0.2 COCCOC E104388 [1,1,0,0,0,0|1,0,1]=4 1343 B5R0.2 COCCOC E104391 [1,1,0,0,0,0|1,0,1]=4 1344 B5R0.2 COCCOC E119676 [1,1,0,0,0,0|1,0,1]=4 1345 B5R0.2 COCCOC I282413 [1,1,0,0,0,0|1,0,1]=4 1346 B5R0.2 COCCOC P107530 [1,1,0,0,0,0|1,0,1]=4 1347 B5R0.2 COCCOC P432396 [1,1,0,0,0,0|1,0,1]=4 1348 B5R0.2 COCCOC P432397 [1,1,0,0,0,0|1,0,1]=4 1349 B5R0.2 COCCOC P432398 [1,1,0,0,0,0|1,0,1]=4 1350 B5R0.2 CSCCC=O M109548 [1,1,0,0,0,0|1,0,1]=4 1351 B5R0.2 CSCCCN M158420 [1,1,0,0,0,0|1,0,1]=4 1352 B5R0.2 CSCCCO M102967 [1,1,0,0,0,0|1,0,1]=4 1353 B5R0.2 ClCCOC=C V141139 [1,1,0,0,0,0|1,0,1]=4 1354 B7R0.2 CC(=CC(=O)OC)C M102001 [0,2,0,0,0,0|0,0,1]=3 1355 B7R0.2 CC(=CC(=O)OC)N A102015 [0,2,0,0,0,0|1,0,1]=4 1356 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.2 CC(C)CC(=NO)C M302141 [0,2,0,0,0,0|0,0,1]=3 1359 B7R0.2 CC(C)CC(=O)OC M157988 [0,2,0,0,0,0|0,0,1]=3 1360 B7R0.2 CC(C)CC(CO)N L117136 [0,2,0,0,0,0|0,0,2]=4 1361 B7R0.2 CC(C)CC(CO)N S133878 [0,2,0,0,0,0|0,0,2]=4 1362 B7R0.2 CC(C)NC(=O)C=C I106818 [0,2,0,0,0,0|0,0,1]=3 1363 B7R0.2 CC(C)NC(=O)C=C P303215 [0,2,0,0,0,0|0,0,1]=3 1364 B7R0.2 CC(C)NC(=O)C=C P432408 [0,2,0,0,0,0|0,0,1]=3 1365 B7R0.2 CC(C)NC(=O)CBr B194928 [0,2,0,0,0,0|1,0,0]=3 1366 B7R0.2 CC(C)NC(=S)NN I405745 [0,2,0,0,0,0|2,0,0]=4 1367 B7R0.2 CC(C)OC(=O)C=C I589892 [0,2,0,0,0,0|0,0,1]=3 1368 B7R0.2 CC(C)OC(=O)CCl I157694 [0,2,0,0,0,0|1,0,0]=3 1369 B7R0.2 CC(CC(=O)OC)N R190811 [0,2,0,0,0,0|1,0,1]=4 1370 B7R0.2 CC(CC(=O)OC)N S587134 [0,2,0,0,0,0|1,0,1]=4 1371 B7R0.2 CC(CC(=O)OC)O H124084 [0,2,0,0,0,0|1,0,1]=4 1372 B7R0.2 CC(CC(=O)OC)O H124101 [0,2,0,0,0,0|1,0,1]=4 1373 B7R0.2 CC(CN(C)C)CCl D134652 [0,2,0,0,0,0|1,0,1]=4 1374 B7R0.2 CCC(=O)CC(C)C E156458 [0,2,0,0,0,0|0,0,1]=3 1375 B7R0.2 CCC(=O)OC(C)C I157496 [0,2,0,0,0,0|0,0,1]=3 1376 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|1,0,1]=4 1377 B7R0.2 CCC(C)CC(C)C D155187 [0,2,0,0,0,0|0,0,2]=4 1378 B7R0.2 CCC(C)CC(C)N D135535 [0,2,0,0,0,0|0,0,2]=4 1379 B7R0.2 CCC(C)OC(=O)C B108576 [0,2,0,0,0,0|1,0,0]=3 1380 B7R0.2 CCC(C)OC(=O)C B108578 [0,2,0,0,0,0|1,0,0]=3 1381 B7R0.2 CCC(C)OC(=O)Cl S189048 [0,2,0,0,0,0|2,0,0]=4 1382 B7R0.2 CN(C)CC(=O)OC N304465 [0,2,0,0,0,0|1,0,1]=4 1383 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,2,0,0,0,0|1,0,1]=4 1384 B7R0.3 CC(CCCN)CN M158599 [0,2,0,0,0,0|0,0,2]=4 1385 B7R0.3 CCC(C=CC=O)O E347259 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.3 CCCCC(C)CC M113650 [0,2,0,0,0,0|0,0,2]=4 1387 B7R0.3 CCCNC(C)CC N158968 [0,2,0,0,0,0|0,0,2]=4 1388 B7R0.3 COC(=O)C=CCBr M137638 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.3 COC(=O)C=CCBr M158855 [0,2,0,0,0,0|1,0,1]=4 1390 B7R0.3 COC=CC(=O)OC M105075 [0,2,0,0,0,0|1,0,1]=4 1391 B7R0.3 COC=CC(=O)OC M135197 [0,2,0,0,0,0|1,0,1]=4 1392 B7R0.5 CC(C)C(CCO)N A348373 [0,2,0,0,0,0|0,0,2]=4 1393 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|0,0,2]=4 1394 B7R0.5 CCCC(C)C(C)C D155209 [0,2,0,0,0,0|0,0,2]=4 1395 B7R0.5 CCOC(=O)C(C)Br E106089 [0,2,0,0,0,0|1,0,1]=4 1396 B7R0.5 CCOC(=O)C(C)Br E400066 [0,2,0,0,0,0|1,0,1]=4 1397 B7R0.5 CCOC(=O)C(C)C E156123 [0,2,0,0,0,0|0,0,1]=3 1398 B7R0.5 CCOC(=O)C(C)Cl E100647 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.5 CCOC(=O)C(C)F E135615 [0,2,0,0,0,0|1,0,1]=4 1400 B7R0.5 CCOC(=O)C(C)I E156364 [0,2,0,0,0,0|1,0,1]=4 1401 B7R0.5 CCOC(=O)C(C)N A109010 [0,2,0,0,0,0|1,0,1]=4 1402 B7R0.5 CCOC(=O)C(C)N A117183 [0,2,0,0,0,0|1,0,1]=4 1403 B7R0.5 CCOC(=O)C(C)N D304158 [0,2,0,0,0,0|1,0,1]=4 1404 B7R0.5 CCOC(=O)C(C)O E104551 [0,2,0,0,0,0|1,0,1]=4 1405 B7R0.5 CCOC(=O)C(C)O E104553 [0,2,0,0,0,0|1,0,1]=4 1406 B7R0.5 CCOC(=O)C(C)O E104554 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.5 CCOC(=O)C(C)O E108228 [0,2,0,0,0,0|1,0,1]=4 1408 B7R0.5 CCOC(=O)C(C)O E108230 [0,2,0,0,0,0|1,0,1]=4 1409 B7R0.5 CCOC(=O)C(C)O E465744 [0,2,0,0,0,0|1,0,1]=4 1410 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|1,0,1]=4 1411 B7R0.5 CN(C)C(=O)COC M589066 [0,2,0,0,0,0|1,0,1]=4 1412 B7R0.7 CCCC(C)CCC M113651 [0,2,0,0,0,0|0,0,2]=4 1413 B7R0.7 CCOC(=O)C=CC E156252 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.7 CCOC(C)OCC A109196 [0,2,0,0,0,0|1,0,1]=4 1415 B7R0.7 CCOC(C)OCC A109197 [0,2,0,0,0,0|1,0,1]=4 1416 B7R0.10 CC(C(=O)OC)NC S587983 [0,2,0,0,0,0|1,0,0]=3 1417 B7R0.10 CC(CBr)C(=O)OC M158847 [0,2,0,0,0,0|1,0,0]=3 1418 B7R0.10 CC(CBr)C(=O)OC M409449 [0,2,0,0,0,0|1,0,0]=3 1419 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|1,0,0]=3 1420 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|1,0,0]=3 1421 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|1,0,0]=3 1422 B7R0.10 CC=C(C)C(=O)OC M158196 [0,2,0,0,0,0|1,0,1]=4 1423 B7R0.10 CCC(=O)N(C)OC N404710 [0,2,0,0,0,0|1,0,1]=4 1424 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|1,0,1]=4 1425 B7R0.10 CCC(C(=O)OC)Br M110203 [0,2,0,0,0,0|2,0,0]=4 1426 B7R0.10 CCC(C(=O)OC)N D134538 [0,2,0,0,0,0|2,0,0]=4 1427 B7R0.10 CCC(C(=O)OC)N S304011 [0,2,0,0,0,0|2,0,0]=4 1428 B7R0.10 CCC(C(=O)OC)O M588620 [0,2,0,0,0,0|2,0,0]=4 1429 B7R0.10 CCC(C(=O)OC)O M590030 [0,2,0,0,0,0|2,0,0]=4 1430 B7R0.10 CCC(C(=O)OC)O R590029 [0,2,0,0,0,0|2,0,0]=4 1431 B7R0.10 CCC(C(C)CO)S M404750 [0,2,0,0,0,0|0,0,2]=4 1432 B7R0.10 CCC(C)C(=O)OC M157989 [0,2,0,0,0,0|1,0,0]=3 1433 B7R0.10 COC(=O)C(CBr)Br M167887 [0,2,0,0,0,0|2,0,0]=4 1434 B7R0.10 COC(=O)C(CCl)Cl M121841 [0,2,0,0,0,0|2,0,0]=4 1435 B7R0.10 COC(=O)C(CCl)N M588771 [0,2,0,0,0,0|2,0,0]=4 1436 B7R0.10 COC(=O)C(CCl)N S134256 [0,2,0,0,0,0|2,0,0]=4 1437 B7R0.10 COC(=O)C(CO)N S101064 [0,2,0,0,0,0|2,0,0]=4 1438 B7R0.10 COC(=O)C(CO)N S109008 [0,2,0,0,0,0|2,0,0]=4 1439 B7R0.10 COC(=O)C(CO)N S117181 [0,2,0,0,0,0|2,0,0]=4 1440 B7R0.10 COC(=O)C(CO)O R587787 [0,2,0,0,0,0|2,0,0]=4 1441 B7R0.10 COC(=O)C(CO)O S178884 [0,2,0,0,0,0|2,0,0]=4 1442 B7R0.10 COC(=O)C(CS)N C105474 [0,2,0,0,0,0|2,0,0]=4 1443 B7R0.10 COC(=O)C(CS)N S133993 [0,2,0,0,0,0|2,0,0]=4 1444 B7R0.11 CC(C)(CC=C)C=O D299504 [0,2,0,0,0,0|0,0,2]=4 1445 B7R0.11 CCC(C)(C)OCC T162410 [0,2,0,0,0,0|1,0,1]=4 1446 B7R0.11 CCCC(C)(C)C#N D154620 [0,2,0,0,0,0|0,0,2]=4 1447 B7R0.12 CNCC(OC)OC M102352 [0,2,0,0,0,0|1,0,1]=4 1448 B7R0.12 COC(CSC)OC M133839 [0,2,0,0,0,0|1,0,1]=4 1449 B7R0.12 COCC(OC)OC T162575 [0,2,0,0,0,0|1,0,1]=4 1450 B7R0.9 CC(=C)CC(C)(C)C D106367 [0,2,0,0,0,0|0,0,1]=3 1451 B7R0.9 CC(=C)CC(C)(C)C D106368 [0,2,0,0,0,0|0,0,1]=3 1452 B7R0.9 CC(=C)C[Si](C)(C)C T300066 [0,2,0,0,0,0|0,1,1]=4 1453 B7R0.9 CC(=C)O[Si](C)(C)C I157569 [0,2,0,0,0,0|1,1,0]=4 1454 B7R0.9 CC(=CC(C)(C)C)C T161796 [0,2,0,0,0,0|0,0,0]=2 1455 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,2,0,0,0,0|0,0,1]=3 1456 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,2,0,0,0,0|0,0,1]=3 1457 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,2,0,0,0,0|0,0,1]=3 1458 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,2,0,0,0,0|0,0,1]=3 1459 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,2,0,0,0,0|0,0,1]=3 1460 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,2,0,0,0,0|0,0,1]=3 1461 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,2,0,0,0,0|0,0,1]=3 1462 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,2,0,0,0,0|1,1,0]=4 1463 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,2,0,0,0,0|1,0,0]=3 1464 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,2,0,0,0,0|1,1,0]=4 1465 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,2,0,0,0,0|1,0,1]=4 1466 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,2,0,0,0,0|1,0,1]=4 1467 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,2,0,0,0,0|2,0,0]=4 1468 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,2,0,0,0,0|1,0,1]=4 1469 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,2,0,0,0,0|1,0,1]=4 1470 B7R0.9 CC(C)(CN(C)C)N A483225 [0,2,0,0,0,0|1,0,1]=4 1471 B7R0.9 CC(C)CC(C)(C)C I103236 [0,2,0,0,0,0|0,0,2]=4 1472 B7R0.9 CC(C)CC(C)(C)C I103237 [0,2,0,0,0,0|0,0,2]=4 1473 B7R0.9 CC(C)CC(C)(C)C I103239 [0,2,0,0,0,0|0,0,2]=4 1474 B7R0.9 CC(C)CC(C)(C)C I103242 [0,2,0,0,0,0|0,0,2]=4 1475 B7R0.9 CC(C)CC(C)(C)C I103243 [0,2,0,0,0,0|0,0,2]=4 1476 B7R0.9 CC(C)CC(C)(C)C I113065 [0,2,0,0,0,0|0,0,2]=4 1477 B7R0.9 CC(C)CC(C)(C)C I302016 [0,2,0,0,0,0|0,0,2]=4 1478 B7R0.9 CC(C)CC(C)(C)C I432868 [0,2,0,0,0,0|0,0,2]=4 1479 B7R0.9 CC(C)CC(C)(C)C T119681 [0,2,0,0,0,0|0,0,2]=4 1480 B7R0.9 CC(C)CC(C)(C)C T128777 [0,2,0,0,0,0|0,0,2]=4 1481 B7R0.9 CC(C)C[Si](C)(C)Cl C337179 [0,2,0,0,0,0|0,1,1]=4 1482 B7R0.9 CC(C)C[Si](C)(Cl)Cl D351843 [0,2,0,0,0,0|0,1,1]=4 1483 B7R0.9 CC(C)NC(C)(C)C N339196 [0,2,0,0,0,0|1,0,1]=4 1484 B7R0.9 CC(C)OS(=O)(=O)C I304987 [0,2,0,0,0,0|2,0,0]=4 1485 B7R0.9 CC(C)O[Si](C)(C)C I337328 [0,2,0,0,0,0|1,1,0]=4 1486 B7R0.9 CC(CC(C)(C)C)O D346243 [0,2,0,0,0,0|0,0,2]=4 1487 B7R0.9 CC(CC(C)(C)O)O M108565 [0,2,0,0,0,0|0,0,2]=4 1488 B7R0.9 CC(CC(C)(C)O)O M420527 [0,2,0,0,0,0|0,0,2]=4 1489 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,2,0,0,0,0|1,0,0]=3 1490 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,2,0,0,0,0|1,0,0]=3 1491 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,2,0,0,0,0|1,0,0]=3 1492 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,2,0,0,0,0|1,0,0]=3 1493 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,2,0,0,0,0|1,0,0]=3 1494 B7R0.16 CC(C)C(=O)C(C)C D111802 [0,2,0,0,0,0|0,0,1]=3 1495 B7R0.16 CC(C)C(=O)N(C)C N159316 [0,2,0,0,0,0|1,0,0]=3 1496 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,2,0,0,0,0|1,0,1]=4 1497 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,2,0,0,0,0|1,0,1]=4 1498 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,2,0,0,0,0|1,0,1]=4 1499 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,2,0,0,0,0|1,0,1]=4 1500 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,2,0,0,0,0|1,0,1]=4 1501 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,2,0,0,0,0|1,0,1]=4 1502 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,2,0,0,0,0|1,0,1]=4 1503 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,2,0,0,0,0|1,0,1]=4 1504 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,2,0,0,0,0|1,0,1]=4 1505 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,2,0,0,0,0|1,0,1]=4 1506 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,2,0,0,0,0|1,0,1]=4 1507 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,2,0,0,0,0|1,0,1]=4 1508 B7R0.16 CC(C)C(C(C)C)O D154153 [0,2,0,0,0,0|0,0,2]=4 1509 B7R0.16 CC(C)C(C)C(C)C T161705 [0,2,0,0,0,0|0,0,2]=4 1510 B7R0.16 CC(C)N(C)C(C)C I165554 [0,2,0,0,0,0|1,0,1]=4 1511 B7R0.16 CC(C)P(C(C)C)Cl C115613 [0,2,0,0,0,0|1,0,1]=4 1512 B7R0.16 CC(C)P(C(C)C)Cl C598444 [0,2,0,0,0,0|1,0,1]=4 1513 B7R0.16 CC(C)[Si](C(C)C)Cl C153458 [0,2,0,0,0,0|0,1,1]=4 1514 B7R0.16 CN(C)C(=N)N(C)C T105968 [0,2,0,0,0,0|2,0,0]=4 1515 B7R0.16 CN(C)C(=O)N(C)C T110881 [0,2,0,0,0,0|2,0,0]=4 1516 B7R0.16 CN(C)C(=O)N(C)C T110882 [0,2,0,0,0,0|2,0,0]=4 1517 B7R0.16 CN(C)C(=O)N(C)C T110883 [0,2,0,0,0,0|2,0,0]=4 1518 B7R0.16 CN(C)C(=S)N(C)C T162218 [0,2,0,0,0,0|2,0,0]=4 1519 B7R0.16 CN(C)C(=[N+](C)C)Cl T113346 [0,2,0,0,0,0|2,0,0]=4 1520 B7R0.16 CN(C)C(=[N+](C)C)Cl T117933 [0,2,0,0,0,0|2,0,0]=4 1521 B7R0.16 CN(C)C(=[N+](C)C)F F102846 [0,2,0,0,0,0|2,0,0]=4 1522 B7R0.13 CCS(=O)(=O)C(C)C E156276 [0,2,0,0,0,0|1,0,1]=4 1523 B7R0.14 CC(=NO)C(C)(C)C P160247 [0,2,0,0,0,0|2,0,0]=4 1524 B7R0.14 CC(=NO)C(C)(C)O H156964 [0,2,0,0,0,0|2,0,0]=4 1525 B7R0.14 CC(C)(C(=O)OC)Br A134370 [0,2,0,0,0,0|1,0,0]=3 1526 B7R0.14 CC(C)(C(=O)OC)F M158843 [0,2,0,0,0,0|1,0,0]=3 1527 B7R0.14 CC(C)(C(=O)OC)N M132255 [0,2,0,0,0,0|1,0,0]=3 1528 B7R0.14 CC(C)(C(=O)OC)N M586992 [0,2,0,0,0,0|1,0,0]=3 1529 B7R0.14 CC(C)(C(=O)OC)O M100572 [0,2,0,0,0,0|1,0,0]=3 1530 B7R0.14 CC(C)(C)C(=O)CBr B135643 [0,2,0,0,0,0|1,0,1]=4 1531 B7R0.14 CC(C)(C)C(=O)CCl C153945 [0,2,0,0,0,0|1,0,1]=4 1532 B7R0.14 CC(C)(C)C(=O)NN D184496 [0,2,0,0,0,0|2,0,0]=4 1533 B7R0.14 CC(C)(C)C(=O)OC M157979 [0,2,0,0,0,0|1,0,0]=3 1534 B7R0.14 CC(C)(C)C(=O)ON O404965 [0,2,0,0,0,0|2,0,0]=4 1535 B7R0.15 CCN(C(C)C)N=O N587539 [0,2,0,0,0,0|1,0,1]=4 1536 B7R0.4 CC(C)CCOC=O I117534 [0,2,0,0,0,0|1,0,1]=4 1537 B7R0.4 CC(C)CCOC=O I137773 [0,2,0,0,0,0|1,0,1]=4 1538 B7R0.4 CC(C)COCCO E156429 [0,2,0,0,0,0|0,0,2]=4 1539 B7R0.4 CC(C)CSCCO I157607 [0,2,0,0,0,0|0,0,2]=4 1540 B7R0.4 CC(C)NCCCO I157484 [0,2,0,0,0,0|0,0,2]=4 1541 B7R0.4 CC(C)NCCOC N158963 [0,2,0,0,0,0|0,0,2]=4 1542 B7R0.4 CC(C)OCCC#N I165912 [0,2,0,0,0,0|1,0,1]=4 1543 B7R0.4 CC(C)OCCCN A133357 [0,2,0,0,0,0|0,0,2]=4 1544 B7R0.4 CC=CC=CC(=O)C H156931 [0,2,0,0,0,0|1,0,1]=4 1545 B7R0.4 CCCC=CC(=O)C H156932 [0,2,0,0,0,0|1,0,1]=4 1546 B7R0.4 CCCCCC(C)C M113649 [0,2,0,0,0,0|0,0,2]=4 1547 B7R0.4 CCCCCC(C)C M406726 [0,2,0,0,0,0|0,0,2]=4 1548 B7R0.6 CC(=CC=C(C)C)C D103154 [0,2,0,0,0,0|0,0,1]=3 1549 B7R0.6 CC(C)C=CC(=O)C M170732 [0,2,0,0,0,0|0,0,0]=2 1550 B7R0.6 CC(C)C=CC(=O)O M158379 [0,2,0,0,0,0|0,0,1]=3 1551 B7R0.6 CC(C)CC=C(C)C D155272 [0,2,0,0,0,0|0,0,0]=2 1552 B7R0.6 CC(C)CCC(=C)C D155278 [0,2,0,0,0,0|0,0,1]=3 1553 B7R0.6 CC(C)CCC(=O)C M106666 [0,2,0,0,0,0|0,0,1]=3 1554 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,2,0,0,0,0|1,0,1]=4 1555 B7R0.6 CC(C)CCC(=O)O M117869 [0,2,0,0,0,0|1,0,1]=4 1556 B7R0.6 CC(C)CCC(C)C D155219 [0,2,0,0,0,0|0,0,2]=4 1557 B7R0.6 CC(C)CCC(C)N W299301 [0,2,0,0,0,0|0,0,2]=4 1558 B7R0.6 CC(C)CCC(C)O M157779 [0,2,0,0,0,0|0,0,2]=4 1559 B7R0.6 CC(C)COC(=O)C I110418 [0,2,0,0,0,0|0,0,1]=3 1560 B7R0.6 CC(C)COC(=O)C I110419 [0,2,0,0,0,0|0,0,1]=3 1561 B7R0.6 CC(C)COC(=O)Cl I105738 [0,2,0,0,0,0|1,0,1]=4 1562 B7R0.6 CC(C)NNC(=O)C N193444 [0,2,0,0,0,0|1,0,0]=3 1563 B7R0.6 CC(C)OCC(C)O I404594 [0,2,0,0,0,0|0,0,2]=4 1564 B7R0.6 CC(C)SSC(C)C D154913 [0,2,0,0,0,0|1,0,1]=4 1565 B7R0.6 CN(C)C=C[N+](=O)[O-] D166333 [0,2,0,0,0,0|2,0,0]=4 1566 B7R0.8 CC(C)(C)NCC=C N405609 [0,2,0,0,0,0|0,0,2]=4 1567 B7R0.8 CC(C)(C)OCCO E107660 [0,2,0,0,0,0|1,0,1]=4 1568 B7R0.8 CC(C)(C)SCCN T405389 [0,2,0,0,0,0|1,0,1]=4 1569 B7R0.8 CCCCC(C)(C)C D106282 [0,2,0,0,0,0|0,0,2]=4 1570 B7R0.8 CCCCC(C)(C)O M157782 [0,2,0,0,0,0|0,0,2]=4 1571 B7R0.8 C[Si](C)(C)C=CCO T113990 [0,2,0,0,0,0|0,1,0]=3 1572 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|1,0,1]=4 1573 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|1,0,1]=4 1574 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|1,0,1]=4 1575 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|1,0,1]=4 1576 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|1,0,1]=4 1577 B5R1.3 C#CC1CC1 C108075 [1,0,0,1,0,0|0,0,2]=4 1578 B5R1.3 C1CC1C#N C153826 [1,0,0,1,0,0|1,0,1]=4 1579 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|1,0,0]=3 1580 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|1,0,1]=4 1581 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|1,0,1]=4 1582 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|1,0,1]=4 1583 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|1,0,1]=4 1584 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|1,0,1]=4 1585 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|1,0,1]=4 1586 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|1,0,1]=4 1587 B5R1.3 C=CC1CO1 V100986 [1,0,0,1,0,0|1,0,0]=3 1588 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|1,0,1]=4 1589 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|1,0,1]=4 1590 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|1,0,1]=4 1591 B5R1.3 CNC1CC1 N177134 [1,0,0,1,0,0|1,0,0]=3 1592 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|1,0,1]=4 1593 B5R1.5 CC1(CC1)N M178021 [1,0,0,1,0,0|1,0,1]=4 1594 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|1,0,0]=3 1595 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|1,0,0]=3 1596 B5R1.1 C1C=CC=[C-]1 B283543 [1,0,0,1,0,0|0,0,2]=4 1597 B5R1.1 C1C=CC=[C-]1 H157415 [1,0,0,1,0,0|0,0,2]=4 1598 B5R1.1 C1C=CC=[C-]1 T106759 [1,0,0,1,0,0|0,0,2]=4 1599 B5R1.1 C1C=CCN1 D139123 [1,0,0,1,0,0|1,0,0]=3 1600 B5R1.1 C1C=CCN1 p103550 [1,0,0,1,0,0|1,0,0]=3 1601 B5R1.1 C1C=CCO1 D101471 [1,0,0,1,0,0|1,0,0]=3 1602 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|0,0,0]=2 1603 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|0,0,0]=2 1604 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|0,0,0]=2 1605 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|0,0,2]=4 1606 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|0,0,2]=4 1607 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|0,0,2]=4 1608 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|0,0,2]=4 1609 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|0,0,2]=4 1610 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|0,0,2]=4 1611 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|1,0,1]=4 1612 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|1,0,1]=4 1613 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|1,0,1]=4 1614 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|1,0,1]=4 1615 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|1,0,1]=4 1616 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|1,0,1]=4 1617 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|1,0,1]=4 1618 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|1,0,1]=4 1619 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|1,0,1]=4 1620 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|1,0,1]=4 1621 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|1,0,1]=4 1622 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|1,0,1]=4 1623 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|1,0,1]=4 1624 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|1,0,1]=4 1625 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|1,0,1]=4 1626 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|1,0,1]=4 1627 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|1,0,1]=4 1628 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|1,0,1]=4 1629 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|1,0,1]=4 1630 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|1,0,1]=4 1631 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|1,0,1]=4 1632 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|0,0,2]=4 1633 B5R1.1 C1CNOC1 I157665 [1,0,0,1,0,0|2,0,0]=4 1634 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|1,0,0]=3 1635 B7R1.1 C1C=CCC1CO C175895 [0,1,0,1,0,0|0,0,2]=4 1636 B7R1.1 C1CC(NC1)CN A121648 [0,1,0,1,0,0|1,0,1]=4 1637 B7R1.1 C1CC(NC1)CO P106015 [0,1,0,1,0,0|1,0,1]=4 1638 B7R1.1 C1CC(NC1)CO P117145 [0,1,0,1,0,0|1,0,1]=4 1639 B7R1.1 C1CC(NC1)CO P133858 [0,1,0,1,0,0|1,0,1]=4 1640 B7R1.1 C1CC(OC1)CBr T161718 [0,1,0,1,0,0|1,0,1]=4 1641 B7R1.1 C1CC(OC1)CCl T109587 [0,1,0,1,0,0|1,0,1]=4 1642 B7R1.1 C1CC(OC1)CN T111157 [0,1,0,1,0,0|1,0,1]=4 1643 B7R1.1 C1CC(OC1)CN T113724 [0,1,0,1,0,0|1,0,1]=4 1644 B7R1.1 C1CC(OC1)CN T119768 [0,1,0,1,0,0|1,0,1]=4 1645 B7R1.1 C1CC(OC1)CO T105718 [0,1,0,1,0,0|1,0,1]=4 1646 B7R1.1 C1CC(OC1)CO T105720 [0,1,0,1,0,0|1,0,1]=4 1647 B7R1.1 C1CCC(C1)CBr B184164 [0,1,0,1,0,0|0,0,2]=4 1648 B7R1.1 C1CCC(C1)CI I169233 [0,1,0,1,0,0|0,0,2]=4 1649 B7R1.1 C1CCC(C1)CN C176870 [0,1,0,1,0,0|0,0,2]=4 1650 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,1,0,0|0,0,2]=4 1651 B7R1.1 C1COCC1CBr B174868 [0,1,0,1,0,0|1,0,1]=4 1652 B7R1.1 C1COCC1CN A167762 [0,1,0,1,0,0|1,0,1]=4 1653 B7R1.1 C1COCC1CN A168112 [0,1,0,1,0,0|1,0,1]=4 1654 B7R1.1 C1COCC1CO T136105 [0,1,0,1,0,0|1,0,1]=4 1655 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,1,0,1,0,0|0,0,2]=4 1656 B7R1.1 CCC1CCCC1 E156243 [0,1,0,1,0,0|0,0,2]=4 1657 B7R1.1 CNC1CCNC1 M124586 [0,1,0,1,0,0|1,0,1]=4 1658 B7R1.1 COC1CCCC1 C102202 [0,1,0,1,0,0|0,0,2]=4 1659 B7R1.1 COC1CCCC1 C119688 [0,1,0,1,0,0|0,0,2]=4 1660 B7R1.1 COC1CCCC1 C298967 [0,1,0,1,0,0|0,0,2]=4 1661 B7R1.1 COC1CCNC1 R176558 [0,1,0,1,0,0|1,0,1]=4 1662 B7R1.1 COC1CCNC1 S177181 [0,1,0,1,0,0|1,0,1]=4 1663 B7R1.1 COC1CCNC1 S586566 [0,1,0,1,0,0|1,0,1]=4 1664 B7R1.2 C1C(C=CC1=O)O H492879 [0,1,0,1,0,0|1,0,1]=4 1665 B7R1.2 C1C(C=CC1O)O I169369 [0,1,0,1,0,0|1,0,0]=3 1666 B7R1.2 CC1=CC(=CN1)C D123132 [0,1,0,1,0,0|0,0,2]=4 1667 B7R1.2 CC1=CC(=CS1)C D304246 [0,1,0,1,0,0|0,0,2]=4 1668 B7R1.2 CC1=CC(=NN1)C D139167 [0,1,0,1,0,0|1,0,1]=4 1669 B7R1.2 CC1=CC(=NO1)C D122898 [0,1,0,1,0,0|1,0,1]=4 1670 B7R1.2 CC1=CC(=O)CC1 M109537 [0,1,0,1,0,0|0,0,1]=3 1671 B7R1.2 CC1=CC(=O)OC1 M158202 [0,1,0,1,0,0|1,0,1]=4 1672 B7R1.2 CC1=CC=C(N1)C D113404 [0,1,0,1,0,0|1,0,1]=4 1673 B7R1.2 CC1=CC=C(O1)C D113405 [0,1,0,1,0,0|1,0,1]=4 1674 B7R1.2 CC1=CC=C(S1)C D155809 [0,1,0,1,0,0|1,0,1]=4 1675 B7R1.2 CC1=CN(N=N1)C D589618 [0,1,0,1,0,0|2,0,0]=4 1676 B7R1.2 CC1=CN=C(N1)C D139451 [0,1,0,1,0,0|1,0,1]=4 1677 B7R1.2 CC1=COC(=N1)C D139217 [0,1,0,1,0,0|1,0,1]=4 1678 B7R1.2 CC1=CSC(=N1)C D119299 [0,1,0,1,0,0|1,0,1]=4 1679 B7R1.2 CC1=NN(C=C1)C D154769 [0,1,0,1,0,0|1,0,1]=4 1680 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|0,0,1]=3 1681 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,1,0,0|1,0,0]=3 1682 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|1,0,0]=3 1683 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,1,0,0|0,0,2]=4 1684 B7R1.2 CC1CCC(N1)C D169683 [0,1,0,1,0,0|1,0,1]=4 1685 B7R1.2 CC1CCC(O1)C D155243 [0,1,0,1,0,0|1,0,1]=4 1686 B7R1.2 CC1CNC(=S)N1 N132557 [0,1,0,1,0,0|2,0,0]=4 1687 B7R1.2 CC1COC(=O)O1 P105723 [0,1,0,1,0,0|2,0,0]=4 1688 B7R1.2 CC1COC(=O)O1 P105724 [0,1,0,1,0,0|2,0,0]=4 1689 B7R1.2 CC1COC(=O)O1 P105725 [0,1,0,1,0,0|2,0,0]=4 1690 B7R1.2 CC1COC(=O)O1 P105726 [0,1,0,1,0,0|2,0,0]=4 1691 B7R1.2 CC1COC(=O)O1 P122960 [0,1,0,1,0,0|2,0,0]=4 1692 B7R1.2 CC1COC(=O)O1 S135940 [0,1,0,1,0,0|2,0,0]=4 1693 B7R1.2 CC1COC(O1)C D404099 [0,1,0,1,0,0|1,0,1]=4 1694 B7R1.2 CN1C=C[N+](=C1)C D120486 [0,1,0,1,0,0|1,0,1]=4 1695 B7R1.2 CN1C=C[N+](=C1)C D121202 [0,1,0,1,0,0|1,0,1]=4 1696 B7R1.2 CN1C=C[N+](=C1)C D154827 [0,1,0,1,0,0|1,0,1]=4 1697 B7R1.2 CN1C=C[N+](=C1)C D281641 [0,1,0,1,0,0|1,0,1]=4 1698 B7R1.2 CN1C=C[N+](=C1)C D303174 [0,1,0,1,0,0|1,0,1]=4 1699 B7R1.2 CN1C=C[N+](=C1)C D305047 [0,1,0,1,0,0|1,0,1]=4 1700 B7R1.2 CN1C=C[N+](=C1)C H302630 [0,1,0,1,0,0|1,0,1]=4 1701 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,1,0,0|1,0,1]=4 1702 B7R1.3 C1CC=CC(C1)Br B152008 [0,1,0,1,0,0|1,0,0]=3 1703 B7R1.3 C1CC=CC(C1)O C137053 [0,1,0,1,0,0|1,0,0]=3 1704 B7R1.3 C1COC(=O)C=C1 D155403 [0,1,0,1,0,0|1,0,1]=4 1705 B7R1.3 CC1=CCC=CC1 M113652 [0,1,0,1,0,0|0,0,2]=4 1706 B7R1.3 CC1=CCCCC1 M158209 [0,1,0,1,0,0|0,0,2]=4 1707 B7R1.3 CC1=CCNCC1 M178460 [0,1,0,1,0,0|0,0,2]=4 1708 B7R1.3 CC1CCCC=C1 M158227 [0,1,0,1,0,0|0,0,0]=2 1709 B7R1.3 CC1CCCCC1 M103329 [0,1,0,1,0,0|0,0,2]=4 1710 B7R1.3 CC1CCCCC1 M103330 [0,1,0,1,0,0|0,0,2]=4 1711 B7R1.3 CC1CCCCC1 M103331 [0,1,0,1,0,0|0,0,2]=4 1712 B7R1.3 CC1CCCCC1 M118385 [0,1,0,1,0,0|0,0,2]=4 1713 B7R1.3 CC1CCCCC1 M119670 [0,1,0,1,0,0|0,0,2]=4 1714 B7R1.3 CC1CCCCN1 I169537 [0,1,0,1,0,0|0,0,2]=4 1715 B7R1.3 CC1CCCCN1 M106737 [0,1,0,1,0,0|0,0,2]=4 1716 B7R1.3 CC1CCCNC1 M158771 [0,1,0,1,0,0|0,0,2]=4 1717 B7R1.3 CC1CCCNC1 R588230 [0,1,0,1,0,0|0,0,2]=4 1718 B7R1.3 CC1CCCNC1 S191141 [0,1,0,1,0,0|0,0,2]=4 1719 B7R1.3 CC1CCNCC1 M158650 [0,1,0,1,0,0|0,0,2]=4 1720 B7R1.3 CC1CCOCO1 M158047 [0,1,0,1,0,0|1,0,1]=4 1721 B7R1.3 CC1CNCCN1 M103218 [0,1,0,1,0,0|1,0,1]=4 1722 B7R1.3 CC1CNCCN1 M120020 [0,1,0,1,0,0|1,0,1]=4 1723 B7R1.3 CC1CNCCN1 R160832 [0,1,0,1,0,0|1,0,1]=4 1724 B7R1.3 CC1CNCCO1 M588524 [0,1,0,1,0,0|1,0,1]=4 1725 B7R1.3 CC1CNCCO1 R174894 [0,1,0,1,0,0|1,0,1]=4 1726 B7R1.3 CC1CNCCO1 S172145 [0,1,0,1,0,0|1,0,1]=4 1727 B7R1.3 CC1COCCN1 M193354 [0,1,0,1,0,0|1,0,1]=4 1728 B7R1.3 CC1COCCN1 R160948 [0,1,0,1,0,0|1,0,1]=4 1729 B7R1.3 CC1COCCN1 R177343 [0,1,0,1,0,0|1,0,1]=4 1730 B7R1.3 CC1COCCN1 S176218 [0,1,0,1,0,0|1,0,1]=4 1731 B7R1.3 CC1COCCN1 S189368 [0,1,0,1,0,0|1,0,1]=4 1732 B7R1.3 CC1SCCCS1 M171134 [0,1,0,1,0,0|1,0,1]=4 1733 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,1,0,0|1,0,1]=4 1734 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,1,0,1,0,0|1,0,1]=4 1735 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,1,0,1,0,0|1,0,1]=4 1736 B7R1.4 C1CNC(=O)C1O H486731 [0,1,0,1,0,0|2,0,0]=4 1737 B7R1.4 C1COC(=O)C1Br B107924 [0,1,0,1,0,0|2,0,0]=4 1738 B7R1.4 C1COC(=O)C1N A101211 [0,1,0,1,0,0|2,0,0]=4 1739 B7R1.4 C1COC(=O)C1N I167498 [0,1,0,1,0,0|2,0,0]=4 1740 B7R1.4 C1COC(=O)C1N R137962 [0,1,0,1,0,0|2,0,0]=4 1741 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,1,0,0|2,0,0]=4 1742 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,1,0,0|2,0,0]=4 1743 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,1,0,0|2,0,0]=4 1744 B7R1.4 C1CSC(=O)C1N H108030 [0,1,0,1,0,0|2,0,0]=4 1745 B7R1.4 C1CSC(=O)C1N S169532 [0,1,0,1,0,0|2,0,0]=4 1746 B7R1.4 CC1=C(SC=C1)C D135046 [0,1,0,1,0,0|1,0,1]=4 1747 B7R1.4 CC1=CC=NN1C D154766 [0,1,0,1,0,0|1,0,1]=4 1748 B7R1.4 CC1=CCCC1=O M165952 [0,1,0,1,0,0|1,0,1]=4 1749 B7R1.4 CC1=NC=CN1C D106351 [0,1,0,1,0,0|2,0,0]=4 1750 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|1,0,1]=4 1751 B7R1.4 CC1C(=O)CCS1 M102985 [0,1,0,1,0,0|1,0,1]=4 1752 B7R1.4 CC1C(CCO1)S M102916 [0,1,0,1,0,0|1,0,1]=4 1753 B7R1.4 CC1CCCC1=O M138029 [0,1,0,1,0,0|0,0,1]=3 1754 B7R1.4 CC1CCCC1O B300625 [0,1,0,1,0,0|0,0,2]=4 1755 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|1,0,0]=3 1756 B7R1.4 CN1CCCC1=O M100588 [0,1,0,1,0,0|1,0,1]=4 1757 B7R1.4 CN1CCCC1=O M100589 [0,1,0,1,0,0|1,0,1]=4 1758 B7R1.4 CN1CCCC1=O M100590 [0,1,0,1,0,0|1,0,1]=4 1759 B7R1.4 CN1CCCC1=O M103246 [0,1,0,1,0,0|1,0,1]=4 1760 B7R1.4 CN1CCCC1=O M103247 [0,1,0,1,0,0|1,0,1]=4 1761 B7R1.4 CN1CCCC1=O M103248 [0,1,0,1,0,0|1,0,1]=4 1762 B7R1.4 CN1CCCC1=O M103250 [0,1,0,1,0,0|1,0,1]=4 1763 B7R1.4 CN1CCCC1=O M119668 [0,1,0,1,0,0|1,0,1]=4 1764 B7R1.4 CN1CCCC1=O M434296 [0,1,0,1,0,0|1,0,1]=4 1765 B7R1.4 CN1CCCC1=S M140448 [0,1,0,1,0,0|1,0,1]=4 1766 B7R1.4 CN1CCNC1=O M304416 [0,1,0,1,0,0|2,0,0]=4 1767 B7R1.4 CN1CCOC1=O M132701 [0,1,0,1,0,0|2,0,0]=4 1768 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|1,0,1]=4 1769 B7R1.22 C1CC1C(=NO)N N589318 [0,1,0,1,0,0|2,0,0]=4 1770 B7R1.22 C1CC1C(=O)CBr B186063 [0,1,0,1,0,0|1,0,1]=4 1771 B7R1.22 C1CC1C(=O)NN C177206 [0,1,0,1,0,0|2,0,0]=4 1772 B7R1.22 COC(=O)C1CC1 M108025 [0,1,0,1,0,0|1,0,0]=3 1773 B7R1.22 COC(=O)C1CN1 M111108 [0,1,0,1,0,0|2,0,0]=4 1774 B7R1.22 COC(=O)C1CO1 G303748 [0,1,0,1,0,0|2,0,0]=4 1775 B7R1.22 COC(=O)C1CO1 M344543 [0,1,0,1,0,0|2,0,0]=4 1776 B7R1.22 COC(=O)C1CO1 S179901 [0,1,0,1,0,0|2,0,0]=4 1777 B7R1.25 CC1(CNC1)OC M178126 [0,1,0,1,0,0|1,0,1]=4 1778 B7R1.25 CC1(COC1)CBr B177446 [0,1,0,1,0,0|1,0,1]=4 1779 B7R1.25 CC1(COC1)CCl C153820 [0,1,0,1,0,0|1,0,1]=4 1780 B7R1.25 CC1(COC1)CN M174504 [0,1,0,1,0,0|1,0,1]=4 1781 B7R1.25 CC1(COC1)CO M104534 [0,1,0,1,0,0|1,0,1]=4 1782 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|1,0,1]=4 1783 B7R1.20 C1CC1CC(=O)O C134997 [0,1,0,1,0,0|1,0,1]=4 1784 B7R1.14 CC1(CCCC1)N A468531 [0,1,0,1,0,0|0,0,2]=4 1785 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,1,0,0|0,0,2]=4 1786 B7R1.14 CC1(CCCN1)C D176967 [0,1,0,1,0,0|0,0,2]=4 1787 B7R1.14 CC1(CCNC1)C D177478 [0,1,0,1,0,0|0,0,2]=4 1788 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,1,0,0|1,0,1]=4 1789 B7R1.14 CC1(COC=N1)C D155260 [0,1,0,1,0,0|1,0,0]=3 1790 B7R1.14 CC1(COCN1)C D136350 [0,1,0,1,0,0|1,0,1]=4 1791 B7R1.14 CC1(NCCS1)C D123034 [0,1,0,1,0,0|1,0,1]=4 1792 B7R2.13 C1C2C1CNC2 A177313 [0,0,0,2,0,0|1,0,1]=4