0 B11R0.3 BrCCCCCCCCCCBr HR122947 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCCO HR109308 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.3 C=CCCCCCCCCC=O HR122631 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.3 C=CCCCCCCCCCBr HR106670 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 C=CCCCCCCCCCC HR132651 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 C=CCCCCCCCCCCl HR141276 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 CCCCCCCCCCC=O HR139744 [0,0,0,0,0,0|0,0,0]=0 7 B11R0.3 CCCCCCCCCCCBr HR134996 [0,0,0,0,0,0|1,0,1]=2 8 B11R0.3 CCCCCCCCCCCC HR136868 [0,0,0,0,0,0|1,0,1]=2 9 B11R0.3 CCCCCCCCCCCCl HR113982 [0,0,0,0,0,0|1,0,1]=2 10 B11R0.3 CCCCCCCCCCCO HR142946 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.3 CCCCCCCCCCCS HR121162 [0,0,0,0,0,0|0,1,1]=2 12 B11R0.3 CCCCCCCC\C=C\C=O HR113538 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.3 CCCCCCCC\C=C\C=O HR127942 [0,0,0,0,0,0|0,0,2]=2 14 B11R0.3 CCCCCCCC\C=C\C=O HR145487 [0,0,0,0,0,0|0,0,2]=2 15 B11R0.3 CCCCCC\C=C\C=C\C=O HR107761 [0,0,0,0,0,0|0,0,4]=4 16 B11R0.3 CCCCOCCOCCCC HR122987 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.3 CCCC\C=C\CCCCCC HR143316 [0,0,0,0,0,0|1,0,3]=4 18 B11R0.3 CNCCCCCCCCNC HR117576 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.3 ClCCCCCCCCCCCl HR128785 [0,0,0,0,0,0|2,0,1]=3 20 B11R0.3 ICCCCCCCCCCI HR145002 [0,0,0,0,0,0|2,0,1]=3 21 B11R0.3 N#CCCCCCCCCC#N HR137184 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.3 NCCCCCCCCCCN HR123960 [0,0,0,0,0,0|2,0,1]=3 23 B11R0.3 OCCCCCCCCCCBr HR116370 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.3 OCCCCCCCCCCO HR122374 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.3 SCCCCCCCCCCS HR127207 [0,0,0,0,0,0|1,1,1]=3 26 B11R0.3 [CH2]CCCCCCCCCCC HR143124 [0,0,0,0,0,0|1,0,1]=2 27 B10R0.71 BrCCCCCCCCCBr HR144509 [1,0,0,0,0,0|2,0,0]=3 28 B10R0.71 C=CCCCCCCCCBr HR109564 [1,0,0,0,0,0|1,0,1]=3 29 B10R0.71 C=CCCCCCCCCC HR105109 [1,0,0,0,0,0|0,0,1]=2 30 B10R0.71 CCCCCCC#CCCO HR137078 [1,0,0,0,0,0|0,0,3]=4 31 B10R0.71 CCCCCCCC#CCO HR11035 [1,0,0,0,0,0|0,0,3]=4 32 B10R0.71 CCCCCCCCCC=O HR134642 [1,0,0,0,0,0|0,0,0]=1 33 B10R0.71 CCCCCCCCCCBr HR134321 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.71 CCCCCCCCCCC HR127377 [1,0,0,0,0,0|0,0,1]=2 35 B10R0.71 CCCCCCCCCCN HR143248 [1,0,0,0,0,0|1,0,0]=2 36 B10R0.71 CCCCCCCCCCO HR128836 [1,0,0,0,0,0|0,0,1]=2 37 B10R0.71 CCCCCCCCCCS HR129083 [1,0,0,0,0,0|0,1,0]=2 38 B10R0.71 CCCCCCCCN=C=O HR123072 [1,0,0,0,0,0|1,0,1]=3 39 B10R0.71 CCCCCCC\C=C\C=O HR128736 [1,0,0,0,0,0|0,0,2]=3 40 B10R0.71 CCCCCCC\C=C\C=O HR131473 [1,0,0,0,0,0|0,0,2]=3 41 B10R0.71 CCCCCNCCCOC DEXF00702 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.71 CCCCOCCOCCO HR132951 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.71 CCCC\C=C\CCCCO HR142871 [1,0,0,0,0,0|0,0,3]=4 44 B10R0.71 ClCCCCCCCCCCl HR101114 [1,0,0,0,0,0|2,0,0]=3 45 B10R0.71 NCCCCCCCCCN HR142077 [1,0,0,0,0,0|2,0,0]=3 46 B10R0.71 OCCCCCCCCCBr HR126648 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.71 OCCCCCCCCCCl HR119905 [1,0,0,0,0,0|1,0,1]=3 48 B10R0.71 OCCCCCCCCCO HR125861 [1,0,0,0,0,0|1,0,1]=3 49 B10R0.71 SCCCCCCCCCS HR127476 [1,0,0,0,0,0|1,1,0]=3 50 B12R0.5 CCCCCCCCCCCC#N HR130787 [0,1,0,0,0,0|1,0,1]=3 51 B12R0.5 CCCCCCCCCCCCBr HR126999 [0,1,0,0,0,0|1,0,1]=3 52 B12R0.5 CCCCCCCCCCCCC HR137125 [0,1,0,0,0,0|1,0,1]=3 53 B12R0.5 CCCCCCCCCCCCCl HR124663 [0,1,0,0,0,0|1,0,1]=3 54 B12R0.5 CCCCCCCCCCCCN HR132072 [0,1,0,0,0,0|1,0,1]=3 55 B12R0.5 CCCCCCCCCCCCO HR130743 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.5 CCCCCCCCCCCCO HR142921 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.5 CCCCCCCCC\C=C\C=O HR128478 [0,1,0,0,0,0|0,0,1]=2 58 B12R0.5 CCCCCCC\C=C\C=C\C=O HR105608 [0,1,0,0,0,0|0,0,3]=4 59 B12R0.5 CCCCCCNCCCCCC HR141193 [0,1,0,0,0,0|1,0,1]=3 60 B12R0.5 CCCCCCOCCCCCC HR144687 [0,1,0,0,0,0|1,0,1]=3 61 B12R0.5 CCCCCCOCCOCCO HR117238 [0,1,0,0,0,0|1,0,2]=4 62 B12R0.5 NCCCCCCCCCCCN HR100270 [0,1,0,0,0,0|1,0,1]=3 63 B12R0.5 OCCCCCCCCCCCBr HR116420 [0,1,0,0,0,0|0,0,2]=3 64 B12R0.5 OCCCCCCCCCCCO HR123963 [0,1,0,0,0,0|0,0,2]=3 65 B12R0.5 OCCCCCCCCCCCS HR128521 [0,1,0,0,0,0|0,0,2]=3 66 B12R0.206 C=CCOC(=O)CCCCCCC HR110224 [0,1,0,0,0,0|2,0,1]=4 67 B12R0.234 C=CCCCCCCCCC(=O)Cl HR101878 [0,1,0,0,0,0|0,0,2]=3 68 B12R0.234 C=CCCCCCCCCC(=O)Cl HR144809 [0,1,0,0,0,0|0,0,2]=3 69 B12R0.234 C=CCCCCCCCCC(=O)O HR135063 [0,1,0,0,0,0|0,0,2]=3 70 B12R0.234 C=CCCCCCCCCC(=O)[O-] HR125768 [0,1,0,0,0,0|0,0,2]=3 71 B12R0.234 C=CCCCCCCCC[SiH](Cl)Cl HR112515 [0,1,0,0,0,0|2,1,0]=4 72 B12R0.234 CC(=O)NCCCNCCCCN HR100996 [0,1,0,0,0,0|3,0,0]=4 73 B12R0.234 CC(=O)OCCCCCCCCBr HR116347 [0,1,0,0,0,0|2,0,0]=3 74 B12R0.234 CCCCCCCCCCB(O)O HR112887 [0,1,0,0,0,0|1,0,1]=3 75 B12R0.234 CCCCCCCCCCC(=O)Cl HR103738 [0,1,0,0,0,0|0,0,0]=1 76 B12R0.234 CCCCCCCCCCC(=O)O HR117809 [0,1,0,0,0,0|0,0,0]=1 77 B12R0.234 CCCCCCCCCCN(C)C HR128838 [0,1,0,0,0,0|2,0,0]=3 78 B12R0.234 CCCCCCCCCOC(C)=O HR141094 [0,1,0,0,0,0|1,0,0]=2 79 B12R0.234 CCCCCCC\C=C\CC(C)=O HR112059 [0,1,0,0,0,0|0,0,2]=3 80 B12R0.234 O=C(O)CCCCCCCCCBr HR123779 [0,1,0,0,0,0|1,0,0]=2 81 B12R0.234 O=C(O)CCCCCCCCCO HR124047 [0,1,0,0,0,0|1,0,0]=2 82 B12R0.234 O=C(O)\C=C\CCCCCCCO HR135287 [0,1,0,0,0,0|1,0,2]=4 83 B12R0.234 O=C(O)\C=C\CCCCCCCO HR136848 [0,1,0,0,0,0|1,0,2]=4 84 B12R0.248 CCCCCCCCCC(=O)OC HR100694 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.248 CCCCCCCCCC(C)C=O HR143715 [0,1,0,0,0,0|0,0,0]=1 86 B12R1.372 CCCCCCC1CCCC1=O HR100603 [0,0,0,1,0,0|0,0,0]=1 87 B12R1.372 CCCCCCN1CCCC1=O HR104888 [0,0,0,1,0,0|1,0,0]=2 88 B12R1.550 C1CCCCCCCCCCC1 HR100626 [0,0,0,1,0,0|1,0,1]=3 89 B9R0.45 C#CCCCCCCCC HR139749 [2,0,0,0,0,0|0,0,2]=4 90 B9R0.45 C=CCCCCCCCBr HR120623 [2,0,0,0,0,0|1,0,1]=4 91 B9R0.45 CCCCCCCCC=O HR129436 [2,0,0,0,0,0|0,0,0]=2 92 B9R0.45 CCCCCCCCCBr HR131831 [2,0,0,0,0,0|1,0,0]=3 93 B9R0.45 CCCCCCCCCI HR142563 [2,0,0,0,0,0|1,0,0]=3 94 B9R0.45 CCCCCCCCCN HR127652 [2,0,0,0,0,0|1,0,0]=3 95 B9R0.45 CCCCCCCCCO HR119697 [2,0,0,0,0,0|0,0,1]=3 96 B9R0.45 CCCCCCCCCO HR129625 [2,0,0,0,0,0|0,0,1]=3 97 B9R0.45 CCCCCCCCCS HR128817 [2,0,0,0,0,0|0,1,0]=3 98 B9R0.45 CCCCCCCCSC HR129003 [2,0,0,0,0,0|1,0,0]=3 99 B9R0.45 CCCCCCCC[Mg]Br HR105143 [2,0,0,0,0,0|2,0,0]=4 100 B9R0.45 CCCCCCCNCC HR104307 [2,0,0,0,0,0|1,0,0]=3 101 B9R0.45 CCCCCCCOC=O HR112750 [2,0,0,0,0,0|1,0,0]=3 102 B9R0.45 CCCCCC\C=C\C=O HR102101 [2,0,0,0,0,0|0,0,2]=4 103 B9R0.45 CCCCCC\C=C\C=O HR125439 [2,0,0,0,0,0|0,0,2]=4 104 B9R0.45 CCCCC\C=C\CC=O HR101775 [2,0,0,0,0,0|0,0,2]=4 105 B9R0.45 CCCCSSCCCC HR122833 [2,0,0,0,0,0|2,0,0]=4 106 B9R0.45 CCNCCCCNCC HR104823 [2,0,0,0,0,0|2,0,0]=4 107 B9R0.45 NCCCCCCCCN HR126346 [2,0,0,0,0,0|2,0,0]=4 108 B9R0.45 OCCCCCCCCBr HR126753 [2,0,0,0,0,0|1,0,1]=4 109 B9R0.45 OCCCCCCCCCl HR122098 [2,0,0,0,0,0|1,0,1]=4 110 B9R0.45 OCCCCCCCCO HR125309 [2,0,0,0,0,0|1,0,1]=4 111 B9R0.45 SCCCCCCCCS HR127749 [2,0,0,0,0,0|1,1,0]=4 112 B11R0.40 C=CC(O)CCCCCCCC HR121436 [1,1,0,0,0,0|0,0,1]=3 113 B11R0.40 CCCCCCCCC(O)CO HR127759 [1,1,0,0,0,0|0,0,1]=3 114 B11R0.140 CCCCCC(=O)CCCCC HR123160 [1,1,0,0,0,0|0,0,2]=4 115 B11R0.140 CCCCCC(O)CCCCC HR121269 [1,1,0,0,0,0|0,0,1]=3 116 B11R0.148 C=CCCCCCCCC(=O)O HR100560 [1,1,0,0,0,0|0,0,2]=4 117 B11R0.148 CCCCCCCCCB(O)O HR124303 [1,1,0,0,0,0|1,0,1]=4 118 B11R0.148 CCCCCCCCCC(=O)Cl HR134539 [1,1,0,0,0,0|0,0,0]=2 119 B11R0.148 CCCCCCCCCC(=O)O HR134532 [1,1,0,0,0,0|0,0,0]=2 120 B11R0.148 CCCCCCCCCC(C)=O HR122893 [1,1,0,0,0,0|0,0,0]=2 121 B11R0.148 CCCCCCCCCC(C)C HR101329 [1,1,0,0,0,0|0,0,1]=3 122 B11R0.148 CCCCCCCCCC(C)O HR138194 [1,1,0,0,0,0|0,0,1]=3 123 B11R0.148 CCCCCCCCOC(=O)Cl HR136604 [1,1,0,0,0,0|1,0,0]=3 124 B11R0.148 CCCCCCCCOC(C)=O HR128593 [1,1,0,0,0,0|1,0,0]=3 125 B11R0.148 CCCCCCCCSC(=O)Cl HR106031 [1,1,0,0,0,0|1,0,0]=3 126 B11R0.148 CCCC\C=C\CCCC(=O)O HR126775 [1,1,0,0,0,0|0,0,2]=4 127 B11R0.148 CCCC\C=C\CCCC(=O)O HR134811 [1,1,0,0,0,0|0,0,2]=4 128 B13R0.2 CCCCCCCCCC(O)CCO HR113572 [0,2,0,0,0,0|0,0,2]=4 129 B13R0.54 CC(C)CCCCCCCCCC=O HR145372 [0,2,0,0,0,0|0,0,0]=2 130 B13R0.54 CC(C)CCCCCCCCCCO HR105381 [0,2,0,0,0,0|0,0,2]=4 131 B13R0.54 CC(C)CCCCCCCCCCO HR112005 [0,2,0,0,0,0|0,0,2]=4 132 B13R0.54 CCCCCCCCCCCC(=O)O HR127301 [0,2,0,0,0,0|0,0,0]=2 133 B13R0.54 CCCCCCCCCCCC(=O)O HR130279 [0,2,0,0,0,0|0,0,0]=2 134 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101213 [0,2,0,0,0,0|0,0,0]=2 135 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101732 [0,2,0,0,0,0|0,0,0]=2 136 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR110772 [0,2,0,0,0,0|0,0,0]=2 137 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR123306 [0,2,0,0,0,0|0,0,0]=2 138 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR134494 [0,2,0,0,0,0|0,0,0]=2 139 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR138770 [0,2,0,0,0,0|0,0,0]=2 140 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR145601 [0,2,0,0,0,0|0,0,0]=2 141 B13R0.54 CCCCCCCCCCCC(C)=O HR137937 [0,2,0,0,0,0|0,0,0]=2 142 B13R0.54 CCCCCCCCCCCC(C)O HR119004 [0,2,0,0,0,0|0,0,2]=4 143 B13R0.54 CCCCCCCCCCCC(N)=O HR139461 [0,2,0,0,0,0|0,0,0]=2 144 B13R0.54 CCCCCCCCCCOC(C)=O HR144588 [0,2,0,0,0,0|0,0,0]=2 145 B13R0.54 CCCCCCCCC\C=C\C(=O)O HR145698 [0,2,0,0,0,0|0,0,1]=3 146 B13R0.54 CCCCOCCOCCOC(C)=O HR132676 [0,2,0,0,0,0|2,0,0]=4 147 B13R0.54 NCCCCCCCCCCC(=O)O HR135586 [0,2,0,0,0,0|0,0,0]=2 148 B13R0.54 O=C(O)CCCCCCCCCCBr HR135855 [0,2,0,0,0,0|0,0,0]=2 149 B13R0.147 C=CC(O)CCCCCCCCCC LEXF01905 [0,2,0,0,0,0|1,0,0]=3 150 B13R0.147 C=CCCCCCCCCC(=O)OC HR126023 [0,2,0,0,0,0|0,0,2]=4 151 B13R0.147 CCCCCCCCCCC(=O)OC HR105374 [0,2,0,0,0,0|0,0,0]=2 152 B13R0.147 CCCCCCCCCCC(O)CO HR100286 [0,2,0,0,0,0|0,0,2]=4 153 B13R0.147 CCCCCCC\C=C\CC(=O)CC HR111744 [0,2,0,0,0,0|0,0,2]=4 154 B13R0.336 BrCCCCCCCCCCCCBr HR104190 [0,2,0,0,0,0|1,0,1]=4 155 B13R0.336 C=CCCCCCCCCCCCC HR133198 [0,2,0,0,0,0|1,0,0]=3 156 B13R0.336 CCCCCCCCCCCCCBr HR139846 [0,2,0,0,0,0|1,0,1]=4 157 B13R0.336 CCCCCCCCCCCCCC HR100025 [0,2,0,0,0,0|1,0,1]=4 158 B13R0.336 CCCCCCCCCCCCCCl HR104301 [0,2,0,0,0,0|1,0,1]=4 159 B13R0.336 CCCCCCCCCCCCCN HR126284 [0,2,0,0,0,0|1,0,1]=4 160 B13R0.336 CCCCCCCCCCCCCO HR144881 [0,2,0,0,0,0|0,0,2]=4 161 B13R0.336 CCCCCCCCCCCCSC HR123992 [0,2,0,0,0,0|0,1,1]=4 162 B13R0.336 CCCCCCCCCC\C=C\C=O HR128213 [0,2,0,0,0,0|0,0,0]=2 163 B13R0.336 NCCCCCCCCCCCCN HR138454 [0,2,0,0,0,0|1,0,1]=4 164 B13R0.336 OCCCCCCCCCCCCBr HR116101 [0,2,0,0,0,0|0,0,2]=4 165 B13R0.336 OCCCCCCCCCCCCO HR137940 [0,2,0,0,0,0|0,0,2]=4 166 B13R0.154 CCCCCCCC(=O)NCC(=O)O HR107840 [0,2,0,0,0,0|1,0,1]=4 167 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR115334 [0,2,0,0,0,0|1,0,1]=4 168 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR127424 [0,2,0,0,0,0|1,0,1]=4 169 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR136307 [0,2,0,0,0,0|1,0,1]=4 170 B13R0.179 O=C([O-])CCCCCCCCC(=O)O HR111169 [0,2,0,0,0,0|1,0,1]=4 171 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] HR122663 [0,2,0,0,0,0|1,0,1]=4 172 B13R0.202 COC(=O)CCCCCCCC(=O)O HR148820 [0,2,0,0,0,0|1,0,1]=4 173 B13R0.280 CCCCCCCCCCP(=O)(O)O HR108277 [0,2,0,0,0,0|1,0,0]=3 174 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] HR117255 [0,2,0,0,0,0|1,0,0]=3 175 B13R0.280 CCCCCCCCCC[N+](C)(C)C HR135769 [0,2,0,0,0,0|2,0,0]=4 176 B13R0.280 CCCCCCCCCC[N+](C)(C)C HR136038 [0,2,0,0,0,0|2,0,0]=4 177 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl HR111911 [0,2,0,0,0,0|1,1,0]=4 178 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl HR111593 [0,2,0,0,0,0|1,1,0]=4 179 B11R1.17 CC1CCCCN1CCCN HR142968 [1,0,0,1,0,0|2,0,0]=4 180 B11R1.17 CCCCC1CCCCC1=O HR135708 [1,0,0,1,0,0|0,0,0]=2 181 B11R1.101 O=C1CCCCCCCCC1 HR103181 [1,0,0,1,0,0|0,0,0]=2 182 B11R1.180 COCCCN1CCCC1=O HR102697 [1,0,0,1,0,0|2,0,0]=4 183 B13R1.279 NC1CCCCCCCCCCC1 HR141104 [0,1,0,1,0,0|1,0,1]=4 184 B13R1.279 O=C1CCCCCCCCCCC1 HR142951 [0,1,0,1,0,0|0,0,0]=2 185 B13R1.279 OC1CCCCCCCCCCC1 HR100123 [0,1,0,1,0,0|0,0,2]=4 186 B13R1.463 CCOC(=O)C1CCCCCC1=O HR118679 [0,1,0,1,0,0|1,0,1]=4 187 B13R1.470 CCOC(=O)CC1CCCCC1=O HR124642 [0,1,0,1,0,0|1,0,1]=4 188 B13R1.654 CCCCCCCC1CCCC1=O HR139354 [0,1,0,1,0,0|0,0,0]=2 189 B13R1.659 CCCCCCCCCCC1CO1 HR142181 [0,1,0,1,0,0|0,0,2]=4 190 B13R1.27 CCCCCCCC1CCC(=O)O1 HR128195 [0,1,0,1,0,0|0,0,0]=2 191 B13R1.27 CCCCCCCC1CCC(=O)O1 HR137523 [0,1,0,1,0,0|0,0,0]=2 192 B13R2.3 C1CCC(C2CCCCC2)CC1 HR142742 [0,0,0,2,0,0|1,0,1]=4 193 B13R2.14 O=C1NCCCC12CCCCN2 HR148821 [0,0,0,2,0,0|2,0,0]=4 194 B13R2.14 O=C1NCCCC12CCCNC2 HR149212 [0,0,0,2,0,0|2,0,0]=4 195 B13R2.14 O=C1NCCCC12CCNCC2 HR150919 [0,0,0,2,0,0|2,0,0]=4 196 B13R2.15 O=C1CCCN1C2CCCCC2 HR104256 [0,0,0,2,0,0|1,0,0]=3 197 B13R2.15 O=C1CCCN1C2CCNCC2 HR148085 [0,0,0,2,0,0|2,0,0]=4