0 B12R0.5 BrCCCCCCCCCCCBr D83367 [0,0,0,0,0,0|2,0,0]=2 1 B12R0.5 C=CCCCCCCCCCCBr A11303 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.5 C=CCCCCCCCCCCC D92374 [0,0,0,0,0,0|1,0,1]=2 3 B12R0.5 CCCCCCCCCCCC#N D91248 [0,0,0,0,0,0|1,0,1]=2 4 B12R0.5 CCCCCCCCCCCC=O D77654 [0,0,0,0,0,0|0,1,1]=2 5 B12R0.5 CCCCCCCCCCCCI S12219 [0,0,0,0,0,0|1,0,0]=1 6 B12R0.5 CCCCCCCCCCCCN D89752 [0,0,0,0,0,0|1,0,0]=1 7 B12R0.5 CCCCCCNCCCCCC D77803 [0,0,0,0,0,0|2,0,0]=2 8 B12R0.5 CCCCCCSCCCCCC D90851 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.5 N#CCCCCCCCCCC#N D92767 [0,0,0,0,0,0|2,0,2]=4 10 B12R0.5 NCCCCCCCCCCCN H11741 [0,0,0,0,0,0|2,0,0]=2 11 B12R0.5 OCCCCCCCCCCCBr A51044 [0,0,0,0,0,0|1,1,0]=2 12 B12R0.5 OCCCCCCCCCCCO 29000 [0,0,0,0,0,0|1,1,0]=2 13 B11R0.3 BrCCCCCCCCCCBr F11241 [1,0,0,0,0,0|2,0,0]=3 14 B11R0.3 C#CCCCCCCCCCC F10501 [1,0,0,0,0,0|0,0,2]=3 15 B11R0.3 C#CCCCCCCCCCO AT18750 [1,0,0,0,0,0|0,1,2]=4 16 B11R0.3 C=CCCCCCCCCCBr H10581 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.3 C=CCCCCCCCCCC D70997 [1,0,0,0,0,0|0,0,2]=3 18 B11R0.3 C=CCCCCCCCCCO 74208 [1,0,0,0,0,0|0,1,2]=4 19 B11R0.3 CCCCCCCCCCC=O H10685 [1,0,0,0,0,0|0,1,1]=3 20 B11R0.3 CCCCCCCCCCCCl D89276 [1,0,0,0,0,0|1,0,0]=2 21 B11R0.3 CCCCCCCCCCCN D88318 [1,0,0,0,0,0|1,0,0]=2 22 B11R0.3 CCCCCCCCCCCO C14193 [1,0,0,0,0,0|0,1,0]=2 23 B11R0.3 CCCCCCCCNCCN 20292 [1,0,0,0,0,0|2,0,0]=3 24 B11R0.3 CCCCOCCOCCCC F14779 [1,0,0,0,0,0|2,0,0]=3 25 B11R0.3 CCNCCCCCCNCC D89829 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.3 ClCCCCCCCCCCCl D89619 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.3 ICCCCCCCCCCI D83366 [1,0,0,0,0,0|2,0,0]=3 28 B11R0.3 NCCCCCCCCCCN D78157 [1,0,0,0,0,0|2,0,0]=3 29 B11R0.3 NCCCCCCCCCCO T70607 [1,0,0,0,0,0|1,1,0]=3 30 B11R0.3 OCCCCCCCCCCBr S12028 [1,0,0,0,0,0|1,1,0]=3 31 B11R0.3 OCCCCCCCCCCCl A10970 [1,0,0,0,0,0|1,1,0]=3 32 B11R0.3 OCCCCCCCCCCO D70495 [1,0,0,0,0,0|1,1,0]=3 33 B11R0.3 SCCCCCCCCCCS D89576 [1,0,0,0,0,0|1,0,0]=2 34 B13R0.2 CCCCCCCCCC(=O)OCCl D93248 [0,1,0,0,0,0|2,0,1]=4 35 B13R0.2 CCCCCCCCOC(=O)CCC D95731 [0,1,0,0,0,0|2,0,1]=4 36 B13R0.2 CCOC(=O)CCCCCCCCBr T70716 [0,1,0,0,0,0|2,0,1]=4 37 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [0,1,0,0,0,0|0,1,1]=3 38 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [0,1,0,0,0,0|0,1,1]=3 39 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [0,1,0,0,0,0|0,1,1]=3 40 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [0,1,0,0,0,0|0,1,1]=3 41 B13R0.54 CCCCCCCCCCC[C@H](C)O D92373 [0,1,0,0,0,0|0,1,0]=2 42 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [0,1,0,0,0,0|1,1,1]=4 43 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [0,1,0,0,0,0|1,1,1]=4 44 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,1,0,0,0,0|1,1,1]=4 45 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,1,0,0,0,0|1,1,1]=4 46 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,1,0,0,0,0|1,0,1]=3 47 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,1,0,0,0,0|2,0,1]=4 48 B13R0.165 CCCCCCC(=O)CCCCCC O12155 [0,1,0,0,0,0|1,0,1]=3 49 B13R0.165 CCCCCCC(O)CCCCCC D93272 [0,1,0,0,0,0|1,0,0]=2 50 B13R0.336 BrCCCCCCCCCCCCBr F10847 [0,1,0,0,0,0|1,0,0]=2 51 B13R0.336 CCCCCCCCCCCCC#N D92403 [0,1,0,0,0,0|1,0,0]=2 52 B13R0.336 CCCCCCCCCCCCCBr H10622 [0,1,0,0,0,0|1,0,0]=2 53 B13R0.336 CCCCCCCCCCCCCCl T71361 [0,1,0,0,0,0|1,0,0]=2 54 B13R0.336 CCCCCCCCCCCCCN D88319 [0,1,0,0,0,0|1,0,0]=2 55 B13R0.336 CCCCCCCCCCCCCO H10847 [0,1,0,0,0,0|0,1,0]=2 56 B13R0.336 CCCCCCCCCCCCSC D90223 [0,1,0,0,0,0|0,0,0]=1 57 B13R0.336 NCCCCCCCCCCCCN F19630 [0,1,0,0,0,0|1,0,0]=2 58 B13R0.336 NCCCCCCCCCCCCO T71202 [0,1,0,0,0,0|0,1,0]=2 59 B13R0.336 NCCCNCCCCNCCCN 41306 [0,1,0,0,0,0|3,0,0]=4 60 B13R0.336 NCCCNCCCCNCCCN D78081 [0,1,0,0,0,0|3,0,0]=4 61 B13R0.336 OCCCCCCCCCCCCBr 66900 [0,1,0,0,0,0|0,1,0]=2 62 B13R0.336 OCCCCCCCCCCCCO 68427 [0,1,0,0,0,0|0,1,0]=2 63 B13R0.338 CCCCCCCC(=O)OCCCC D91788 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.279 NC1CCCCCCCCCCC1 F16394 [0,0,0,1,0,0|1,0,0]=2 65 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,0,0,1,0,0|0,1,1]=3 66 B13R1.279 OC1CCCCCCCCCCC1 A10314 [0,0,0,1,0,0|0,1,0]=2 67 B13R1.659 CCCCCCCCCC[C@H]1CO1 D89968 [0,0,0,1,0,0|0,1,0]=2 68 B10R0.71 BrCCCCCCCCCBr O10362 [2,0,0,0,0,0|2,0,0]=4 69 B10R0.71 CCCCCCCCCCI D95272 [2,0,0,0,0,0|1,0,0]=3 70 B10R0.71 CCCCCCCCCCN C93407 [2,0,0,0,0,0|1,0,0]=3 71 B10R0.71 CCCCCCCCCCS D94658 [2,0,0,0,0,0|0,0,0]=2 72 B10R0.71 CCCCOCOCCCC D89913 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.71 ClCCCCCCCCCCl 35145 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.71 NCCCCCCCCCN F16023 [2,0,0,0,0,0|2,0,0]=4 75 B10R0.71 OCCCCCCCCCBr 54800 [2,0,0,0,0,0|1,1,0]=4 76 B10R0.71 OCCCCCCCCCCl D94653 [2,0,0,0,0,0|1,1,0]=4 77 B10R0.71 OCCCCCCCCCO F20315 [2,0,0,0,0,0|1,1,0]=4 78 B10R0.71 SCCCCCCCCCS D97848 [2,0,0,0,0,0|1,0,0]=3 79 B12R0.1 CCCCCCCCC(=O)OCC D70268 [1,1,0,0,0,0|1,0,1]=4 80 B12R0.206 CCCCCCCC(=O)OCCC D92187 [1,1,0,0,0,0|1,0,1]=4 81 B12R0.234 CCCCCCCCCCB(O)O I10259 [1,1,0,0,0,0|1,1,0]=4 82 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [1,1,0,0,0,0|0,1,1]=4 83 B12R0.234 CCCCCCCCCCC(=O)O P19940 [1,1,0,0,0,0|0,1,1]=4 84 B12R0.234 CCCCCCCCCCC(C)=O D89937 [1,1,0,0,0,0|0,0,1]=3 85 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [1,1,0,0,0,0|0,0,0]=2 86 B12R0.248 CCCCCCCCOC(=O)CS D92371 [1,1,0,0,0,0|1,0,1]=4 87 B14R0.393 CCCCCCCCCCC(=O)OCC 78222 [0,2,0,0,0,0|1,0,1]=4 88 B14R0.393 CCOC(=O)CCCCCCCCCBr T71050 [0,2,0,0,0,0|1,0,1]=4 89 B14R0.88 CCCCCCCCCCCP(=O)(O)O T72552 [0,2,0,0,0,0|1,1,0]=4 90 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] F17202 [0,2,0,0,0,0|1,1,0]=4 91 B14R0.337 C#C[C@@H](O)CCCCCCCCCCC W12316 [0,2,0,0,0,0|0,1,0]=3 92 B14R0.337 CCCCCCCCCCCC(=O)NC D91599 [0,2,0,0,0,0|0,1,1]=4 93 B14R0.337 CCCCCCCCCCCC(=O)OC D77652 [0,2,0,0,0,0|0,1,1]=4 94 B14R0.337 COC(=O)CCCCCCCCCCBr F20921 [0,2,0,0,0,0|1,0,1]=4 95 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O C74815 [0,2,0,0,0,0|0,1,1]=4 96 B14R0.394 CC(C)CCCCCCCCCCC=O F16552 [0,2,0,0,0,0|0,1,0]=3 97 B14R0.394 CCCCCCCCCCCCB(O)O H11393 [0,2,0,0,0,0|0,1,0]=3 98 B14R0.394 CCCCCCCCCCCCC(=O)O H10745 [0,2,0,0,0,0|0,1,0]=3 99 B14R0.394 CCCCCCCCCCCC[S@](C)=O D70250 [0,2,0,0,0,0|0,0,1]=3 100 B14R0.394 O=C(O)CCCCCCCCCCCBr F13219 [0,2,0,0,0,0|0,1,1]=4 101 B14R0.394 O=C(O)CCCCCCCCCCCO O10368 [0,2,0,0,0,0|0,1,1]=4 102 B14R0.179 CCCCCCCOC(=O)CCCCC D81374 [0,2,0,0,0,0|1,0,1]=4 103 B14R0.392 C=CCCCCCCCCCCCCC D83561 [0,2,0,0,0,0|1,0,0]=3 104 B14R0.392 CCCCCCCCCCCCCC=O H10276 [0,2,0,0,0,0|0,1,0]=3 105 B14R0.392 CCCCCCCCCCCCCCBr D70994 [0,2,0,0,0,0|1,0,0]=3 106 B14R0.392 CCCCCCCCCCCCCCC D97801 [0,2,0,0,0,0|1,0,0]=3 107 B14R0.392 CCCCCCCCCCCCCCCl F19566 [0,2,0,0,0,0|1,0,0]=3 108 B14R0.392 CCCCCCCCCCCCCCN F20969 [0,2,0,0,0,0|1,0,0]=3 109 B14R0.392 CCCCCCCCCCCCCCO D77653 [0,2,0,0,0,0|0,1,0]=3 110 B14R0.392 CCCCCCCCCCCCCCS D92299 [0,2,0,0,0,0|0,0,0]=2 111 B14R0.392 CCCCCCCCCCCCOC=O D93435 [0,2,0,0,0,0|0,1,0]=3 112 B14R0.392 CCCCCCCCCCCOCCO D80540 [0,2,0,0,0,0|0,1,0]=3 113 B14R0.392 CCCCCCCNCCCCCCC F17086 [0,2,0,0,0,0|1,0,0]=3 114 B14R0.392 CCCCOCCOCCOCCCC D72501 [0,2,0,0,0,0|2,0,0]=4 115 B14R0.392 OCCCCCCCCCCCCCBr 67368 [0,2,0,0,0,0|0,1,0]=3 116 B14R0.392 OCCCCCCCCCCCCCO C10359 [0,2,0,0,0,0|0,1,0]=3 117 B12R1.37 CCCCCCCC1OCCO1 D95406 [1,0,0,1,0,0|1,1,0]=4 118 B12R1.550 C1=CCCCCCCCCCC1 D89251 [1,0,0,1,0,0|0,0,2]=4 119 B12R1.550 C1CCCCCCCCCCC1 D89269 [1,0,0,1,0,0|0,0,0]=2 120 B12R1.1414 NCCCCN1CCCCCC1 D80725 [1,0,0,1,0,0|2,0,0]=4 121 B14R1.26 CCCCCCCC1OCCC(C)O1 D93037 [0,1,0,1,0,0|1,1,0]=4 122 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 D70226 [0,1,0,1,0,0|0,1,1]=4 123 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 D89886 [0,1,0,1,0,0|0,1,1]=4 124 B14R1.123 BrCCCCCCO[C@@H]1CCCCO1 D97413 [0,1,0,1,0,0|1,1,0]=4 125 B14R1.123 CCCCCCCCN1CCNCC1 A10338 [0,1,0,1,0,0|2,0,0]=4 126 B14R1.14 CCCCCCCC1CCC(=O)CC1 D83611 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.6 C1CCC(NC2CCCCC2)CC1 36650 [0,0,0,2,0,0|2,0,0]=4 128 B14R2.6 C1CCC(NC2CCCCC2)CC1 D86751 [0,0,0,2,0,0|2,0,0]=4 129 B14R2.24 CN1CCCCC1C2CCCCN2 F14625 [0,0,0,2,0,0|2,0,0]=4 130 B14R2.24 O=C1CCCC[C@H]1C2CCCCC2 D83891 [0,0,0,2,0,0|0,1,1]=4 131 B14R2.24 OC1CCCCC1C2CCCCC2 D89257 [0,0,0,2,0,0|0,1,0]=3