0 B10R0.71 CCCC#CC#CCCCO HMDB0038913 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CCCCC/C=C/C=C/CO HMDB0036196 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [0,0,0,0,0,0|0,0,2]=2 3 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.71 CCCCCCCCCC=C HMDB0029551 [0,0,0,0,0,0|1,0,1]=2 7 B10R0.71 CCCCCCCCCC=O HMDB0011623 [0,0,0,0,0,0|0,0,2]=2 8 B10R0.71 CCCCCCCCCCC HMDB0031445 [0,0,0,0,0,0|1,0,0]=1 9 B10R0.71 CCCCCCCCCCO HMDB0011624 [0,0,0,0,0,0|0,0,0]=0 10 B10R0.71 CSCCCCCCN=C=S HMDB0031574 [0,0,0,0,0,0|2,1,1]=4 11 B10R0.71 NCCCCCNCCCN HMDB0012189 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.71 NCCCCNCCCCN HMDB0031506 [0,0,0,0,0,0|3,0,0]=3 13 B10R0.71 OCCC=CCCCCCC HMDB0013810 [0,0,0,0,0,0|0,0,2]=2 14 B10R0.71 SCCCCCCCCCS HMDB0031710 [0,0,0,0,0,0|1,1,0]=2 15 B9R0.45 CC/C=C\CCCCCO HMDB0040581 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.45 CCCCC/C=C/CCO HMDB0041601 [1,0,0,0,0,0|0,0,2]=3 17 B9R0.45 CCCCC/C=C\CCO HMDB0030959 [1,0,0,0,0,0|0,0,2]=3 18 B9R0.45 CCCCCC/C=C/CO HMDB0041498 [1,0,0,0,0,0|0,0,2]=3 19 B9R0.45 CCCCCC/C=C\CO HMDB0041499 [1,0,0,0,0,0|0,0,2]=3 20 B9R0.45 CCCCCCCCCC HMDB0031450 [1,0,0,0,0,0|0,0,0]=1 21 B9R0.45 CCCCCCCCCO HMDB0031265 [1,0,0,0,0,0|0,0,0]=1 22 B9R0.45 CCCCSSCCCC HMDB0029569 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.45 CSCCCCCCC#N HMDB0031890 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.45 NCCCCNCCCN HMDB0001257 [1,0,0,0,0,0|3,0,0]=4 25 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [0,1,0,0,0,0|0,0,3]=4 26 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [0,1,0,0,0,0|0,0,1]=2 27 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [0,1,0,0,0,0|0,0,2]=3 28 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [0,1,0,0,0,0|0,0,1]=2 29 B11R0.3 CCCCCCCCCCCC HMDB0031444 [0,1,0,0,0,0|1,0,0]=2 30 B11R0.3 CCCCCCCCCCCO HMDB0013113 [0,1,0,0,0,0|0,0,0]=1 31 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [0,1,0,0,0,0|0,0,1]=2 32 B11R0.4 CCCCC/C=C/C(C)CCO HMDB0031065 [0,1,0,0,0,0|0,0,2]=3 33 B11R0.4 CCCCCC/C=C(/C)CCO HMDB0031064 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.4 CCCCCCOC(=O)CCC HMDB0033620 [0,1,0,0,0,0|2,0,1]=4 36 B11R0.40 CCCCCCCCC(=O)OC HMDB0031264 [0,1,0,0,0,0|2,0,1]=4 37 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,1,0,0,0,0|2,0,1]=4 38 B11R0.140 CCCCCC(=O)CCCCC HMDB0030943 [0,1,0,0,0,0|1,0,1]=3 39 B11R0.140 CCCCCC(=O)OCCCC HMDB0040211 [0,1,0,0,0,0|2,0,1]=4 40 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [0,1,0,0,0,0|0,0,3]=4 41 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [0,1,0,0,0,0|0,0,3]=4 42 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [0,1,0,0,0,0|0,0,3]=4 43 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [0,1,0,0,0,0|0,0,3]=4 44 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [0,1,0,0,0,0|0,0,0]=1 45 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [0,1,0,0,0,0|0,0,1]=2 46 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [0,1,0,0,0,0|1,0,2]=4 47 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [0,1,0,0,0,0|0,0,3]=4 48 B8R0.4 CC/C=C\CCCCO HMDB0031298 [2,0,0,0,0,0|0,0,2]=4 49 B8R0.4 CCCC/C=C/CCO HMDB0035768 [2,0,0,0,0,0|0,0,2]=4 50 B8R0.4 CCCCCCCC=C HMDB0031270 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.4 CCCCCCCC=O HMDB0001140 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|0,0,0]=2 53 B8R0.4 CCCCCCCCO HMDB0001183 [2,0,0,0,0,0|0,0,0]=2 54 B8R0.4 CCCCSCCCC HMDB0031660 [2,0,0,0,0,0|1,0,0]=3 55 B10R0.1 CCCCCCC(=O)CCO HMDB0037143 [1,1,0,0,0,0|0,0,1]=3 56 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,1,0,0,0,0|0,0,1]=3 59 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,1,0,0,0,0|0,0,1]=3 62 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.74 CCCCCCCC(O)C=C HMDB0039854 [1,1,0,0,0,0|0,0,2]=4 65 B10R0.74 CCCCCCCC(O)CC HMDB0031408 [1,1,0,0,0,0|0,0,0]=2 66 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [1,1,0,0,0,0|1,0,1]=4 68 B12R0.1 CCCCCCCCC(=O)OCC HMDB0040193 [0,2,0,0,0,0|1,0,1]=4 69 B12R0.1 CCCCCCCOC(=O)CCC HMDB0034460 [0,2,0,0,0,0|1,0,1]=4 70 B12R0.5 CCCCC/C=C/C/C=C/CCO HMDB0031102 [0,2,0,0,0,0|0,0,2]=4 71 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [0,2,0,0,0,0|0,0,2]=4 72 B12R0.5 CCCCCCCCCCCC=C HMDB0030930 [0,2,0,0,0,0|1,0,0]=3 73 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [0,2,0,0,0,0|0,0,1]=3 74 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [0,2,0,0,0,0|0,0,0]=2 75 B12R0.47 CCCCCCC(=O)OCCCC HMDB0041559 [0,2,0,0,0,0|1,0,1]=4 76 B12R0.47 CCCCCOC(=O)CCCCC HMDB0036229 [0,2,0,0,0,0|1,0,1]=4 77 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,2,0,0,0,0|0,0,1]=3 78 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [0,2,0,0,0,0|1,0,0]=3 79 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,2,0,0,0,0|0,0,0]=2 80 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,2,0,0,0,0|0,0,2]=4 81 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,2,0,0,0,0|0,0,2]=4 82 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,2,0,0,0,0|0,0,1]=3 83 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [0,2,0,0,0,0|0,0,1]=3 84 B12R0.248 CCCCCCCCOC(=O)CC HMDB0034134 [0,2,0,0,0,0|1,0,1]=4 85 B12R0.4 CCCCCCCC(=O)CC(O)=O HMDB0010724 [0,2,0,0,0,0|0,0,2]=4 86 B12R0.4 CCCCCCCC(O)CC(O)=O HMDB0002203 [0,2,0,0,0,0|0,0,1]=3 87 B12R0.4 [C@@H](O)(CCCCCCC)CC(O)=O HMDB0010725 [0,2,0,0,0,0|0,0,1]=3 88 B12R0.57 CCCCCCCCC(OC)OC HMDB0034151 [0,2,0,0,0,0|2,0,0]=4 89 B12R0.184 CCC(C)CCCCCCC(O)=O HMDB0038237 [0,2,0,0,0,0|0,0,1]=3 90 B12R0.111 CCCCCCC(CO)CCCC HMDB0041288 [0,2,0,0,0,0|1,0,0]=3 91 B12R0.268 CC(C)CCCCCCCC(O)=O HMDB0034456 [0,2,0,0,0,0|0,0,1]=3 92 B12R1.28 CCCCCC1CCOC(C)O1 HMDB0032155 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.51 CCCC(=O)OCC1CCCO1 HMDB0036188 [0,1,0,1,0,0|1,0,1]=4 94 B12R1.7 CCCCCCC1OCC(C)O1 HMDB0032302 [0,1,0,1,0,0|1,0,0]=3