0 B11R0.4 CCCCCCCC(=O)CCC D92758 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.4 CCCCCCC[C@@H](O)CCC T72465 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.4 CCC\C=C\COC(=O)CCC D88749 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.1 C=CCCCCC(=O)OCC D86379 [1,0,0,0,0,0|0,0,2]=3 4 B10R0.1 C=CCNCCC(=O)OCC 92547 [1,0,0,0,0,0|1,0,2]=4 5 B10R0.1 CCCCCCC(=O)CCC D89875 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.1 CCCCCC[C@@H](O)CCC D89845 [1,0,0,0,0,0|1,0,2]=4 7 B10R0.71 CCC#CCCCCCCC D92755 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.71 CCC#CCCCCCCCl D89421 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 CCCCCCCC#CCO D89822 [1,0,0,0,0,0|2,0,1]=4 10 B10R0.71 CCCCCNCCCCC D89598 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 CCCCCSCCCCC D88303 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.74 C=CC(=O)OCCCCCC H12008 [1,0,0,0,0,0|1,0,2]=4 13 B10R0.74 CCCCCCCC(=O)CC D89798 [1,0,0,0,0,0|0,0,0]=1 14 B10R0.74 CCCCCCC[C@@H](O)CC D89804 [1,0,0,0,0,0|0,0,2]=3 15 B10R0.74 CCCCC\C=C\C(=O)OC D91565 [1,0,0,0,0,0|0,0,2]=3 16 B10R0.74 CCC\C=C\COC(=O)CC D92035 [1,0,0,0,0,0|1,0,2]=4 17 B12R0.1 CCCCCCC#CC(=O)OCC D91743 [0,1,0,0,0,0|0,0,1]=2 18 B12R0.4 CCCCCCCC(=O)OC(C)C D91821 [0,1,0,0,0,0|0,0,0]=1 19 B12R0.4 CCCCCCOC(=O)CC(C)=O D88349 [0,1,0,0,0,0|2,0,1]=4 20 B12R0.206 CCCCCCCC(=O)CCCC D89876 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.32 CCOC(=O)CC1CCCCC1 D89353 [0,0,0,1,0,0|0,0,0]=1 22 B12R1.32 CCOC(=O)CN1CCNCC1 D85741 [0,0,0,1,0,0|2,0,0]=3 23 B12R1.32 CCOC(=O)NC1CCNCC1 AT23020 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.32 NCCC(=O)NC1CCCCC1 F21041 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.51 CCCC(=O)OC[C@H]1CCCO1 D92411 [0,0,0,1,0,0|3,0,0]=4 26 B12R1.308 CCOC(=O)C1=C(C)OCCC1 F12642 [0,0,0,1,0,0|1,0,2]=4 27 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O AB1566 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.372 CCCCCC[C@H]1CCCC1=O F17042 [0,0,0,1,0,0|1,0,0]=2 29 B9R0.5 CCCCCC(=O)CCC D91706 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.45 CCCCCCCCCC S11595 [2,0,0,0,0,0|0,0,1]=3 31 B9R0.45 CCCCCCCCCCl D89217 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.45 CCCCCCCCCN D91670 [2,0,0,0,0,0|1,0,1]=4 33 B9R0.45 CCCCCCCCSC D91326 [2,0,0,0,0,0|0,1,1]=4 34 B9R0.45 CCCCCC\C=C\CO D91737 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.46 CCCCCCC(=O)CC D91660 [2,0,0,0,0,0|0,0,0]=2 36 B9R0.46 CCCCCC[C@@H](O)CC D91682 [2,0,0,0,0,0|0,0,2]=4 37 B9R0.46 COC(=O)COCCCBr AC2376 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.2 CCCCCCCC(C)C D91304 [2,0,0,0,0,0|1,0,1]=4 39 B9R0.2 CCCCCCC[13C](=O)O 41418 [2,0,0,0,0,0|0,0,0]=2 40 B9R0.2 CCCCCCC[13C](=O)[O-] 41397 [2,0,0,0,0,0|0,0,1]=3 41 B9R0.2 CCCCCCC[C@H](C)O D97855 [2,0,0,0,0,0|0,0,2]=4 42 B9R0.2 CCCCC\C=C\C(=O)O D91783 [2,0,0,0,0,0|0,0,2]=4 43 B9R0.2 CCCCC\C=C\C(C)=O D91739 [2,0,0,0,0,0|0,0,2]=4 44 B9R0.2 CCCC\C=C\CC(=O)O D84200 [2,0,0,0,0,0|0,0,2]=4 45 B11R0.5 CCOC(=O)CC(=O)CCOC D88169 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.81 CCCCCCC(=O)CCCC D92759 [1,1,0,0,0,0|1,0,0]=3 47 B11R0.3 C=CCOCCCCCCCC D88370 [1,1,0,0,0,0|0,0,2]=4 48 B11R0.3 CCCCCCCCCCCS D92772 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.3 CCCCCCCCCCSC D89932 [1,1,0,0,0,0|1,0,1]=4 50 B11R0.3 CCCCCCCC\C=C\CO F14361 [1,1,0,0,0,0|2,0,0]=4 51 B11R0.3 CCCC\C=C\CCCCCC T71264 [1,1,0,0,0,0|1,0,1]=4 52 B11R0.40 CCCCCCCCC(=O)CC D92753 [1,1,0,0,0,0|1,0,1]=4 53 B11R0.42 C=C(C)C(=O)OCCCCCC D97858 [1,1,0,0,0,0|1,0,1]=4 54 B11R0.124 CCCCCCCC(OC)OC D91826 [1,1,0,0,0,0|0,0,2]=4 55 B13R0.2 CCCCCCC\C=C\C(=O)OCC D90112 [0,2,0,0,0,0|0,0,0]=2 56 B13R0.2 CCCCC\C=C\CCC(=O)OCC D89947 [0,2,0,0,0,0|0,0,0]=2 57 B13R0.66 C=CCOC(=O)CCCCCCCC D88528 [0,2,0,0,0,0|0,0,1]=3 58 B13R0.87 CCOC(=O)CNCCCC(=O)OC AC3105 [0,2,0,0,0,0|1,0,1]=4 59 B13R0.335 CCCCCCCOC(=O)CC(C)=O D88351 [0,2,0,0,0,0|1,0,1]=4 60 B13R0.367 CCOC(=O)CCNCC(=O)OCC E72580 [0,2,0,0,0,0|1,0,1]=4 61 B13R0.286 CNCCCCNC(=O)OC(C)(C)C I11896 [0,2,0,0,0,0|2,0,0]=4 62 B13R0.65 CCCCCCCC(OCC)OCC D91870 [0,2,0,0,0,0|0,0,2]=4 63 B11R1.16 CCOC(=O)[C@@H]1CC=CCC1 D89336 [1,0,0,1,0,0|0,0,2]=4 64 B11R1.16 CCOC(=O)[C@@H]1COCCN1 77676 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.30 CCOC(=O)C[C@H]1CCCO1 F52125 [1,0,0,1,0,0|1,0,0]=3 66 B11R1.230 CCCCC1OC(=O)CC1C D91607 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.28 CCCCCC1CCCCC1 F16714 [1,0,0,1,0,0|1,0,1]=4 68 B11R1.1 CCCCC1CCC(N)CC1 D89044 [1,0,0,1,0,0|1,0,1]=4 69 B11R1.40 CCC(=O)OC1CCCCC1 D91966 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.40 COC(=O)NC1CCNCC1 AT23019 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.40 NCC(=O)NC1CCCCC1 20166 [1,0,0,1,0,0|2,0,0]=4 72 B13R1.42 CCOC(=O)CCN1CCCCC1 61578 [0,1,0,1,0,0|0,0,0]=2 73 B13R1.42 CCOC(=O)CCN1CCOCC1 W10823 [0,1,0,1,0,0|1,0,0]=3 74 B13R1.470 CCOC(=O)C[C@H]1CCCCC1=O AT25969 [0,1,0,1,0,0|0,0,1]=3 75 B13R1.654 CCCCCCC[C@H]1CCCC1=O D90905 [0,1,0,1,0,0|1,0,0]=3 76 B13R1.348 CC(C)CC(=O)OC1CCCCC1 D91099 [0,1,0,1,0,0|2,0,0]=4 77 B13R1.19 CCOC(=O)CC1CCC(N)CC1 D77419 [0,1,0,1,0,0|0,0,0]=2 78 B13R1.19 CCOC(=O)CN1CCN(C)CC1 63520 [0,1,0,1,0,0|2,0,0]=4 79 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 P15634 [0,1,0,1,0,0|0,0,0]=2 80 B13R2.12120 CC12CCCCC1C(=O)OC2=O FD14006 [0,0,0,2,0,0|1,0,1]=4