0 B11R0.3 BrCCCCCCCCCCBr F11241 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCCC F10501 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.3 C#CCCCCCCCCCO AT18750 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.3 C=CCCCCCCCCCBr H10581 [0,0,0,0,0,0|2,0,0]=2 4 B11R0.3 C=CCCCCCCCCCC D70997 [0,0,0,0,0,0|1,0,0]=1 5 B11R0.3 C=CCCCCCCCCCO 74208 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 CCCCCCCCCCC=O H10685 [0,0,0,0,0,0|0,0,0]=0 7 B11R0.3 CCCCCCCCCCCCl D89276 [0,0,0,0,0,0|1,0,1]=2 8 B11R0.3 CCCCCCCCCCCN D88318 [0,0,0,0,0,0|1,0,1]=2 9 B11R0.3 CCCCCCCCCCCO C14193 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.3 CCCCCCCCNCCN 20292 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 CCCCCCCC\C=C\C=O A11393 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.3 CCCCOCCOCCCC F14779 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.3 CCNCCCCCCNCC D89829 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.3 ClCCCCCCCCCCCl D89619 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.3 ICCCCCCCCCCI D83366 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.3 N#CCCCCCCCCC#N D92215 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 NCCCCCCCCCCN D78157 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.3 NCCCCCCCCCCO T70607 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.3 OCCCCCCCCCCBr S12028 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.3 OCCCCCCCCCCCl A10970 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.3 OCCCCCCCCCCO D70495 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.3 SCCCCCCCCCCS D89576 [0,0,0,0,0,0|1,1,1]=3 23 B10R0.71 BrCCCCCCCCCBr O10362 [1,0,0,0,0,0|2,0,0]=3 24 B10R0.71 C#CCCCCCCCCO F16255 [1,0,0,0,0,0|0,0,3]=4 25 B10R0.71 C=CCCCCCCCCBr 29297 [1,0,0,0,0,0|1,0,1]=3 26 B10R0.71 CCCCCCCCCCI D95272 [1,0,0,0,0,0|1,0,0]=2 27 B10R0.71 CCCCCCCCCCN C93407 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.71 CCCCCCCCCCS D94658 [1,0,0,0,0,0|0,1,0]=2 29 B10R0.71 CCCCCCCCN=C=O D94691 [1,0,0,0,0,0|1,0,1]=3 30 B10R0.71 CCCCCCCCN=C=S D91876 [1,0,0,0,0,0|1,1,1]=4 31 B10R0.71 CCCCCCCCNC=O D91867 [1,0,0,0,0,0|1,0,0]=2 32 B10R0.71 CCCCCCC\C=C\C=O A11384 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.71 CCCCC\C=C\CCCO D90033 [1,0,0,0,0,0|0,0,3]=4 34 B10R0.71 CCCCOCOCCCC D89913 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.71 ClCCCCCCCCCCl 35145 [1,0,0,0,0,0|2,0,0]=3 36 B10R0.71 ClCCCCOCCCCCl D88715 [1,0,0,0,0,0|3,0,0]=4 37 B10R0.71 NCCCCCCCCCN F16023 [1,0,0,0,0,0|2,0,0]=3 38 B10R0.71 OCCCCCCCCCBr 54800 [1,0,0,0,0,0|1,0,1]=3 39 B10R0.71 OCCCCCCCCCCl D94653 [1,0,0,0,0,0|1,0,1]=3 40 B10R0.71 OCCCCCCCCCO F20315 [1,0,0,0,0,0|1,0,1]=3 41 B10R0.71 OCCCCNCCCCO A11650 [1,0,0,0,0,0|2,0,1]=4 42 B10R0.71 SCCCCCCCCCS D97848 [1,0,0,0,0,0|1,1,0]=3 43 B12R0.5 BrCCCCCCCCCCCBr D83367 [0,1,0,0,0,0|1,0,1]=3 44 B12R0.5 C=CCCCCCCCCCCBr A11303 [0,1,0,0,0,0|1,0,0]=2 45 B12R0.5 C=CCCCCCCCCCCC D92374 [0,1,0,0,0,0|1,0,0]=2 46 B12R0.5 CCCCCCCCCCCC#N D91248 [0,1,0,0,0,0|1,0,1]=3 47 B12R0.5 CCCCCCCCCCCC=O D77654 [0,1,0,0,0,0|0,0,0]=1 48 B12R0.5 CCCCCCCCCCCCI S12219 [0,1,0,0,0,0|1,0,1]=3 49 B12R0.5 CCCCCCCCCCCCN D89752 [0,1,0,0,0,0|1,0,1]=3 50 B12R0.5 CCCCCCNCCCCCC D77803 [0,1,0,0,0,0|1,0,1]=3 51 B12R0.5 CCCCCCSCCCCCC D90851 [0,1,0,0,0,0|1,0,1]=3 52 B12R0.5 N#CCCCCCCCCCC#N D92767 [0,1,0,0,0,0|1,0,2]=4 53 B12R0.5 NCCCCCCCCCCCN H11741 [0,1,0,0,0,0|1,0,1]=3 54 B12R0.5 OCCCCCCCCCCCBr A51044 [0,1,0,0,0,0|0,0,2]=3 55 B12R0.5 OCCCCCCCCCCCO 29000 [0,1,0,0,0,0|0,0,2]=3 56 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,1,0,0,0,0|0,0,2]=3 57 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,1,0,0,0,0|0,0,2]=3 58 B12R0.234 CCCCCCCCCCB(O)O I10259 [0,1,0,0,0,0|1,0,1]=3 59 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,1,0,0,0,0|0,0,0]=1 60 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,1,0,0,0,0|0,0,0]=1 61 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,1,0,0,0,0|0,0,0]=1 62 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [0,1,0,0,0,0|0,0,2]=3 63 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,1,0,0,0,0|1,0,0]=2 64 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,1,0,0,0,0|0,0,2]=3 66 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,1,0,0,0,0|1,0,0]=2 67 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,1,0,0,0,0|1,0,0]=2 68 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,1,0,0,0,0|1,0,0]=2 69 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.18 NCCCN1CCCCCC1=O F14229 [0,0,0,1,0,0|2,0,0]=3 71 B12R1.37 CCCCCCCC1OCCO1 D95406 [0,0,0,1,0,0|1,0,2]=4 72 B12R1.372 CCCCCCN1CCCC1=O 68655 [0,0,0,1,0,0|1,0,0]=2 73 B12R1.550 C1=CCCCCCCCCCC1 D89251 [0,0,0,1,0,0|1,0,0]=2 74 B12R1.550 C1CCCCCCCCCCC1 D89269 [0,0,0,1,0,0|1,0,1]=3 75 B12R1.1414 NCCCCN1CCCCCC1 D80725 [0,0,0,1,0,0|2,0,1]=4 76 B9R0.45 BrCCCCCCCCBr O10358 [2,0,0,0,0,0|2,0,0]=4 77 B9R0.45 C#CCCCCCCCC F11366 [2,0,0,0,0,0|0,0,2]=4 78 B9R0.45 C=CCCCCCCCBr I11993 [2,0,0,0,0,0|1,0,1]=4 79 B9R0.45 C=CCCCCCCCCl N12233 [2,0,0,0,0,0|1,0,1]=4 80 B9R0.45 C=CCCCCCCCO D91757 [2,0,0,0,0,0|1,0,1]=4 81 B9R0.45 CCCCC#CCCCC D73342 [2,0,0,0,0,0|0,0,2]=4 82 B9R0.45 CCCCCCCCC#N D91888 [2,0,0,0,0,0|1,0,1]=4 83 B9R0.45 CCCCCCCCCI D91171 [2,0,0,0,0,0|1,0,0]=3 84 B9R0.45 CCCCCCCCCO D70513 [2,0,0,0,0,0|0,0,1]=3 85 B9R0.45 CCCCCCCCNC O12029 [2,0,0,0,0,0|1,0,0]=3 86 B9R0.45 CCCCCCCNCC D90566 [2,0,0,0,0,0|1,0,0]=3 87 B9R0.45 CCCCCC\C=C\C=O D91718 [2,0,0,0,0,0|0,0,2]=4 88 B9R0.45 CCCCNCCCCO D88720 [2,0,0,0,0,0|1,0,1]=4 89 B9R0.45 CNCCCCCCNC F17013 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.45 COCCCCCCOC D90120 [2,0,0,0,0,0|2,0,0]=4 91 B9R0.45 ClCCCCCCCCCl O10360 [2,0,0,0,0,0|2,0,0]=4 92 B9R0.45 ICCCCCCCCI F19540 [2,0,0,0,0,0|2,0,0]=4 93 B9R0.45 NCCCCCCCCN F21311 [2,0,0,0,0,0|2,0,0]=4 94 B9R0.45 NCCCCCCCCO H11908 [2,0,0,0,0,0|1,0,1]=4 95 B9R0.45 OCCCCCCCCBr 54574 [2,0,0,0,0,0|1,0,1]=4 96 B9R0.45 OCCCCCCCCCl AC2187 [2,0,0,0,0,0|1,0,1]=4 97 B9R0.45 OCCCCCCCCO O12036 [2,0,0,0,0,0|1,0,1]=4 98 B9R0.45 SCCCCCCCCS D91866 [2,0,0,0,0,0|1,1,0]=4 99 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [1,1,0,0,0,0|0,0,1]=3 100 B11R0.40 CCCCCCCC[C@H](O)CO D90105 [1,1,0,0,0,0|0,0,1]=3 101 B11R0.140 CCCCCC(=O)CCCCC D92760 [1,1,0,0,0,0|0,0,2]=4 102 B11R0.140 CCCCCC(N)CCCCC T72322 [1,1,0,0,0,0|0,0,1]=3 103 B11R0.140 CCCCCC(O)CCCCC T72127 [1,1,0,0,0,0|0,0,1]=3 104 B11R0.148 C=CCCCCCCCC(=O)O N12000 [1,1,0,0,0,0|0,0,2]=4 105 B11R0.148 CC(C)CCCCCCCCO D93483 [1,1,0,0,0,0|0,0,1]=3 106 B11R0.148 CCCCCCCCCC(=O)O D70225 [1,1,0,0,0,0|0,0,0]=2 107 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [1,1,0,0,0,0|0,0,0]=2 108 B11R0.148 CCCCCCCCCC(C)=O F17694 [1,1,0,0,0,0|0,0,0]=2 109 B11R0.148 CCCCCCCCCC(C)C C11011 [1,1,0,0,0,0|0,0,1]=3 110 B11R0.148 CCCCCCCCCC(N)=O D89393 [1,1,0,0,0,0|0,0,0]=2 111 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [1,1,0,0,0,0|0,0,0]=2 112 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [1,1,0,0,0,0|0,0,1]=3 113 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [1,1,0,0,0,0|1,0,0]=3 114 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [1,1,0,0,0,0|0,0,2]=4 115 B11R0.148 CCCCOCCOCC(=O)O W16397 [1,1,0,0,0,0|2,0,0]=4 116 B11R0.148 O=C(O)CCCCCCCCBr 54506 [1,1,0,0,0,0|1,0,0]=3 117 B11R0.148 O=C(O)CCCCCCCCO 29995 [1,1,0,0,0,0|1,0,0]=3 118 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [0,2,0,0,0,0|0,0,0]=2 119 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [0,2,0,0,0,0|0,0,0]=2 120 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [0,2,0,0,0,0|0,0,0]=2 121 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [0,2,0,0,0,0|0,0,0]=2 122 B13R0.54 CCCCCCCCCCC[C@H](C)O D92373 [0,2,0,0,0,0|0,0,2]=4 123 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [0,2,0,0,0,0|0,0,0]=2 124 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [0,2,0,0,0,0|0,0,0]=2 125 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,2,0,0,0,0|0,0,0]=2 126 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,2,0,0,0,0|0,0,0]=2 127 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,2,0,0,0,0|0,0,0]=2 128 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,2,0,0,0,0|0,0,0]=2 129 B13R0.165 CCCCCCC(=O)CCCCCC O12155 [0,2,0,0,0,0|1,0,1]=4 130 B13R0.165 CCCCCCC(O)CCCCCC D93272 [0,2,0,0,0,0|1,0,1]=4 131 B13R0.336 BrCCCCCCCCCCCCBr F10847 [0,2,0,0,0,0|1,0,1]=4 132 B13R0.336 CCCCCCCCCCCCC#N D92403 [0,2,0,0,0,0|1,0,1]=4 133 B13R0.336 CCCCCCCCCCCCCBr H10622 [0,2,0,0,0,0|1,0,1]=4 134 B13R0.336 CCCCCCCCCCCCCCl T71361 [0,2,0,0,0,0|1,0,1]=4 135 B13R0.336 CCCCCCCCCCCCCN D88319 [0,2,0,0,0,0|1,0,1]=4 136 B13R0.336 CCCCCCCCCCCCCO H10847 [0,2,0,0,0,0|0,0,2]=4 137 B13R0.336 CCCCCCCCCCCCSC D90223 [0,2,0,0,0,0|0,1,1]=4 138 B13R0.336 NCCCCCCCCCCCCN F19630 [0,2,0,0,0,0|1,0,1]=4 139 B13R0.336 NCCCCCCCCCCCCO T71202 [0,2,0,0,0,0|0,0,2]=4 140 B13R0.336 OCCCCCCCCCCCCBr 66900 [0,2,0,0,0,0|0,0,2]=4 141 B13R0.336 OCCCCCCCCCCCCO 68427 [0,2,0,0,0,0|0,0,2]=4 142 B13R0.179 O=C(O)CCCCCCCCC(=O)O D70917 [0,2,0,0,0,0|1,0,1]=4 143 B13R0.202 COC(=O)CCCCCCCC(=O)O S10607 [0,2,0,0,0,0|1,0,1]=4 144 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] F10018 [0,2,0,0,0,0|1,0,0]=3 145 B13R0.280 CCCCCCCCCC[N+](C)(C)C D87915 [0,2,0,0,0,0|2,0,0]=4 146 B13R0.280 CCCCCCCCCC[N+](C)(C)C H11342 [0,2,0,0,0,0|2,0,0]=4 147 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl D89871 [0,2,0,0,0,0|1,1,0]=4 148 B11R1.28 BrCCCCC1CCCCC1 AB1243 [1,0,0,1,0,0|1,0,0]=3 149 B11R1.28 NCCCNC1CCCCC1 D84281 [1,0,0,1,0,0|2,0,0]=4 150 B11R1.28 OCCCCN1CCCCC1 65596 [1,0,0,1,0,0|1,0,1]=4 151 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,1,0,1,0,0|0,0,0]=2 152 B13R1.279 NC1CCCCCCCCCCC1 F16394 [0,1,0,1,0,0|1,0,1]=4 153 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,1,0,1,0,0|0,0,0]=2 154 B13R1.279 OC1CCCCCCCCCCC1 A10314 [0,1,0,1,0,0|0,0,2]=4 155 B13R1.463 CCOC(=O)[C@@H]1CCCCCC1=O FD9024 [0,1,0,1,0,0|1,0,1]=4 156 B13R1.659 CCCCCCCCCC[C@H]1CO1 D89968 [0,1,0,1,0,0|0,0,2]=4 157 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [0,1,0,1,0,0|0,0,0]=2 158 B13R2.3 C1CCC(C2CCCCC2)CC1 N10369 [0,0,0,2,0,0|1,0,1]=4 159 B13R2.14 O=C1NCCCC12CCNCC2 66151 [0,0,0,2,0,0|2,0,0]=4 160 B13R2.15 O=C1CCCN1C2CCNCC2 65181 [0,0,0,2,0,0|2,0,0]=4