0 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.3 CCCCCC/C=C/C=C/C=O HMDB0031359 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.3 CCCCCCCC/C=C/OC HMDB0032379 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.3 CCCCCCCCCCCC HMDB0031444 [0,0,0,0,0,0|1,0,1]=2 6 B11R0.3 CCCCCCCCCCCO HMDB0013113 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.71 CCCCC/C=C\CCCO HMDB0032206 [1,0,0,0,0,0|0,0,3]=4 9 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [1,0,0,0,0,0|0,0,3]=4 10 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.71 CCCCCCC/C=C/CO HMDB0032532 [1,0,0,0,0,0|0,0,3]=4 12 B10R0.71 CCCCCCCCCC=C HMDB0029551 [1,0,0,0,0,0|0,0,1]=2 13 B10R0.71 CCCCCCCCCC=O HMDB0011623 [1,0,0,0,0,0|0,0,0]=1 14 B10R0.71 CCCCCCCCCCC HMDB0031445 [1,0,0,0,0,0|0,0,1]=2 15 B10R0.71 CCCCCCCCCCO HMDB0011624 [1,0,0,0,0,0|0,0,1]=2 16 B10R0.71 NCCCCCNCCCN HMDB0012189 [1,0,0,0,0,0|3,0,0]=4 17 B10R0.71 NCCCCNCCCCN HMDB0031506 [1,0,0,0,0,0|3,0,0]=4 18 B10R0.71 OCCC=CCCCCCC HMDB0013810 [1,0,0,0,0,0|0,0,3]=4 19 B10R0.71 SCCCCCCCCCS HMDB0031710 [1,0,0,0,0,0|1,1,0]=3 20 B12R0.5 CCCCC/C=C\CC/C=C/C=O HMDB0032531 [0,1,0,0,0,0|0,0,3]=4 21 B12R0.5 CCCCCCC/C=C/C=C/C=O HMDB0039590 [0,1,0,0,0,0|0,0,3]=4 22 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [0,1,0,0,0,0|0,0,1]=2 23 B12R0.5 CCCCCCCCCCCC=C HMDB0030930 [0,1,0,0,0,0|1,0,0]=2 24 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [0,1,0,0,0,0|0,0,0]=1 25 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [0,1,0,0,0,0|0,0,2]=3 26 B12R0.206 CCCCCCCC(=O)OCC=C HMDB0040593 [0,1,0,0,0,0|2,0,1]=4 27 B12R0.234 CC(=O)NCCCCNCCCN HMDB0002189 [0,1,0,0,0,0|3,0,0]=4 28 B12R0.234 CC(=O)NCCCNCCCCN HMDB0001276 [0,1,0,0,0,0|3,0,0]=4 29 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [0,1,0,0,0,0|0,0,0]=1 30 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [0,1,0,0,0,0|1,0,1]=3 31 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [0,1,0,0,0,0|0,0,0]=1 32 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [0,1,0,0,0,0|1,0,0]=2 33 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [0,1,0,0,0,0|0,0,2]=3 34 B12R0.248 CCCCCCCCCC(=O)OC HMDB0033848 [0,1,0,0,0,0|2,0,1]=4 35 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [0,1,0,0,0,0|0,0,0]=1 36 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [0,0,0,1,0,0|0,0,2]=3 37 B12R1.1410 CCCCCC1OC1/C=C/C=O HMDB0013105 [0,0,0,1,0,0|1,0,2]=4 38 B9R0.45 CC/C=C\CCCCC=O HMDB0030958 [2,0,0,0,0,0|0,0,2]=4 39 B9R0.45 CCCC/C=C/CCC=O HMDB0032535 [2,0,0,0,0,0|0,0,2]=4 40 B9R0.45 CCCCCC/C=C\C=O HMDB0031269 [2,0,0,0,0,0|0,0,2]=4 41 B9R0.45 CCCCCCCCCC HMDB0031450 [2,0,0,0,0,0|0,0,0]=2 42 B9R0.45 CCCCCCCCCO HMDB0031265 [2,0,0,0,0,0|0,0,1]=3 43 B9R0.45 CCCCSSCCCC HMDB0029569 [2,0,0,0,0,0|2,0,0]=4 44 B9R0.45 NCCCNCCCC=O HMDB0012135 [2,0,0,0,0,0|2,0,0]=4 45 B11R0.140 CCCCCC(=O)CCCCC HMDB0030943 [1,1,0,0,0,0|0,0,2]=4 46 B11R0.148 CCCC/C=C/CCCC(O)=O HMDB0039768 [1,1,0,0,0,0|0,0,2]=4 47 B11R0.148 CCCCC/C=C\CCC(O)=O HMDB0004980 [1,1,0,0,0,0|0,0,2]=4 48 B11R0.148 CCCCCC/C=C\CC(O)=O HMDB0031002 [1,1,0,0,0,0|0,0,2]=4 49 B11R0.148 CCCCCCC/C=C/C(O)=O HMDB0010726 [1,1,0,0,0,0|0,0,2]=4 50 B11R0.148 CCCCCCCCCC(C)O HMDB0030942 [1,1,0,0,0,0|0,0,1]=3 51 B11R0.148 CCCCCCCCCC(O)=O HMDB0000511 [1,1,0,0,0,0|0,0,0]=2 52 B11R0.148 CCCCCCCCOC(C)=O HMDB0038602 [1,1,0,0,0,0|1,0,0]=3 53 B11R0.148 OC(=O)CCCCCCCC=C HMDB0031003 [1,1,0,0,0,0|0,0,2]=4 54 B13R0.66 CCCCCCCCC(=O)OCC=C HMDB0029763 [0,2,0,0,0,0|1,0,1]=4 55 B13R0.54 CCCCC/C=C\CCCOC(C)=O HMDB0032214 [0,2,0,0,0,0|0,0,2]=4 56 B13R0.54 CCCCCC/C=C\CCCC(O)=O HMDB0000529 [0,2,0,0,0,0|0,0,1]=3 57 B13R0.54 CCCCCCCCC/C=C/C(O)=O HMDB0010729 [0,2,0,0,0,0|0,0,1]=3 58 B13R0.54 CCCCCCCCCCCC(O)=O HMDB0000638 [0,2,0,0,0,0|0,0,0]=2 59 B13R0.54 CCCCCCCCCCOC(C)=O HMDB0040166 [0,2,0,0,0,0|0,0,0]=2 60 B13R0.54 OC(=O)CCCCCCCCCC=C HMDB0032248 [0,2,0,0,0,0|0,0,1]=3 61 B13R0.147 CCCCCCCCC#CC(=O)OC HMDB0030945 [0,2,0,0,0,0|0,0,2]=4 62 B13R0.147 COC(=O)CCCCCCC/C=C/C HMDB0037305 [0,2,0,0,0,0|0,0,2]=4 63 B13R0.147 COC(=O)CCCCCCCCC=C HMDB0029585 [0,2,0,0,0,0|0,0,2]=4 64 B13R0.336 CCCCCCCC/C=C/CCC=O HMDB0032247 [0,2,0,0,0,0|0,0,0]=2 65 B13R0.336 CCCCCCCCCC/C=C/C=O HMDB0037275 [0,2,0,0,0,0|0,0,0]=2 66 B13R0.336 CCCCCCCCCCCCC=O HMDB0030928 [0,2,0,0,0,0|0,0,0]=2 67 B13R0.336 CCCCCCCCCCCCCO HMDB0013316 [0,2,0,0,0,0|0,0,2]=4 68 B13R0.336 O=CCCNCCCCNCCC=O HMDB0013076 [0,2,0,0,0,0|1,0,1]=4 69 B13R0.1 CCCCCCC(=O)CCOC(C)=O HMDB0037179 [0,2,0,0,0,0|1,0,1]=4 70 B13R0.1 CCCCCCC(O)CCOC(C)=O HMDB0032443 [0,2,0,0,0,0|1,0,0]=3 71 B13R0.188 NCSCCC(S)CCCCC(N)=O HMDB0006239 [0,2,0,0,0,0|2,0,0]=4 72 B13R0.188 NCSCCC(S)CCCCC(O)=O HMDB0013639 [0,2,0,0,0,0|2,0,0]=4 73 B13R0.154 CCCCCCCC(=O)NCC(O)=O HMDB0000832 [0,2,0,0,0,0|1,0,1]=4 74 B13R0.179 OC(=O)CCCCCCCCC(O)=O HMDB0000792 [0,2,0,0,0,0|1,0,1]=4 75 B13R0.202 OC(CCCCCCCC(O)=O)C=C HMDB0032662 [0,2,0,0,0,0|0,0,2]=4 76 B13R0.412 CCCCCCCCCC(OC)OC HMDB0037310 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.180 CC/C=C/CC1CCCC1=O HMDB0032536 [1,0,0,1,0,0|0,0,2]=4 78 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,1,0,1,0,0|0,0,0]=2 79 B13R1.1133 CCCCCCC1=C(C)CCC1=O HMDB0031181 [0,1,0,1,0,0|0,0,2]=4 80 B13R1.1882 CCCCCCC1CC1CC(O)=O HMDB0031087 [0,1,0,1,0,0|0,0,0]=2