0 B12R0.5 CCCCC/C=C\CC/C=C/C=O HMDB0032531 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.5 CCCCCCC/C=C/C=C/C=O HMDB0039590 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.5 CCCCCCCCC/C=C/C=O HMDB0031020 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.5 CCCCCCCCCCCC=C HMDB0030930 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.5 CCCCCCCCCCCC=O HMDB0033933 [0,0,0,0,0,0|0,0,0]=0 5 B12R0.5 CCCCCCCCCCCCO HMDB0011626 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.3 C=CCCCCCCCCC=O HMDB0031128 [1,0,0,0,0,0|0,0,2]=3 7 B11R0.3 CCCCCCCC/C=C/CO HMDB0034856 [1,0,0,0,0,0|0,0,3]=4 8 B11R0.3 CCCCCCCCCCC=O HMDB0030941 [1,0,0,0,0,0|0,0,0]=1 9 B11R0.3 CCCCCCCCCCCC HMDB0031444 [1,0,0,0,0,0|0,0,1]=2 10 B11R0.3 CCCCCCCCCCCO HMDB0013113 [1,0,0,0,0,0|0,0,1]=2 11 B11R0.3 OCCCCCCCCCC=C HMDB0031016 [1,0,0,0,0,0|1,0,1]=3 12 B13R0.54 CCCCC/C=C\CCCOC(C)=O HMDB0032214 [0,1,0,0,0,0|1,0,2]=4 13 B13R0.54 CCCCCC/C=C\CCCC(O)=O HMDB0000529 [0,1,0,0,0,0|0,0,2]=3 14 B13R0.54 CCCCCCCCC/C=C/C(O)=O HMDB0010729 [0,1,0,0,0,0|0,0,2]=3 15 B13R0.54 CCCCCCCCCCCC(O)=O HMDB0000638 [0,1,0,0,0,0|0,0,0]=1 16 B13R0.54 CCCCCCCCCCOC(C)=O HMDB0040166 [0,1,0,0,0,0|1,0,0]=2 17 B13R0.54 OC(=O)CCCCCCCCCC=C HMDB0032248 [0,1,0,0,0,0|0,0,2]=3 18 B13R0.66 CCCCCCCCC(=O)OCC=C HMDB0029763 [0,1,0,0,0,0|2,0,1]=4 19 B13R0.147 COC(=O)CCCCCCCCC=C HMDB0029585 [0,1,0,0,0,0|2,0,1]=4 20 B13R0.336 CCCCCCCC/C=C/CCC=O HMDB0032247 [0,1,0,0,0,0|0,0,1]=2 21 B13R0.336 CCCCCCCCCC/C=C/C=O HMDB0037275 [0,1,0,0,0,0|0,0,1]=2 22 B13R0.336 CCCCCCCCCCCCC=O HMDB0030928 [0,1,0,0,0,0|0,0,0]=1 23 B13R0.336 CCCCCCCCCCCCCO HMDB0013316 [0,1,0,0,0,0|0,0,2]=3 24 B13R0.336 O=CCCNCCCCNCCC=O HMDB0013076 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.279 O=C1CCCCCCCCCCC1 HMDB0031341 [0,0,0,1,0,0|0,0,0]=1 26 B10R0.71 CCCCCC/C=C/CCC HMDB0031205 [2,0,0,0,0,0|0,0,2]=4 27 B10R0.71 CCCCCCC/C=C/C=O HMDB0030999 [2,0,0,0,0,0|0,0,2]=4 28 B10R0.71 CCCCCCCCCC=C HMDB0029551 [2,0,0,0,0,0|0,0,1]=3 29 B10R0.71 CCCCCCCCCC=O HMDB0011623 [2,0,0,0,0,0|0,0,0]=2 30 B10R0.71 CCCCCCCCCCC HMDB0031445 [2,0,0,0,0,0|0,0,0]=2 31 B10R0.71 CCCCCCCCCCO HMDB0011624 [2,0,0,0,0,0|0,0,1]=3 32 B10R0.71 SCCCCCCCCCS HMDB0031710 [2,0,0,0,0,0|1,1,0]=4 33 B12R0.234 CCCCCCCCCCC(C)=O HMDB0031019 [1,1,0,0,0,0|0,0,0]=2 34 B12R0.234 CCCCCCCCCCC(C)C HMDB0031287 [1,1,0,0,0,0|0,0,1]=3 35 B12R0.234 CCCCCCCCCCC(O)=O HMDB0000947 [1,1,0,0,0,0|0,0,0]=2 36 B12R0.234 CCCCCCCCCOC(C)=O HMDB0040266 [1,1,0,0,0,0|1,0,0]=3 37 B12R0.234 OC(=O)CCCCCCCCC=C HMDB0033724 [1,1,0,0,0,0|0,0,2]=4 38 B12R0.248 CCCCCCCCCC(C)C=O HMDB0031734 [1,1,0,0,0,0|0,0,0]=2 39 B14R0.391 CCCCCCCCCC(=O)CC(O)=O HMDB0010727 [0,2,0,0,0,0|0,0,1]=3 40 B14R0.391 CCCCCCCCCC(=O)CC([O-])=O HMDB0039847 [0,2,0,0,0,0|0,0,1]=3 41 B14R0.391 CCCCCCCCCC(O)CC(O)=O HMDB0000387 [0,2,0,0,0,0|0,0,0]=2 42 B14R0.391 [C@@H](O)(CCCCCCCCC)CC(O)=O HMDB0010728 [0,2,0,0,0,0|0,0,0]=2 43 B14R0.393 CCOC(=O)CCCCCCCCC=C HMDB0034286 [0,2,0,0,0,0|1,0,1]=4 44 B14R0.2 CCCCCCCC(O)CCCC(O)=O HMDB0040169 [0,2,0,0,0,0|0,0,0]=2 45 B14R0.68 OC(=O)CCCCCCCCCC(O)=O HMDB0000888 [0,2,0,0,0,0|1,0,1]=4 46 B14R0.337 CCCCCCCCC/C=C/C(=O)OC HMDB0031028 [0,2,0,0,0,0|0,0,2]=4 47 B14R0.337 CCCCCCCCCCCC(=O)OC HMDB0031018 [0,2,0,0,0,0|0,0,0]=2 48 B14R0.337 CCCCCCCCCCCC(C)CC HMDB0030300 [0,2,0,0,0,0|1,0,1]=4 49 B14R0.337 CCCCCCCCCCOC(=O)CC HMDB0037311 [0,2,0,0,0,0|1,0,0]=3 50 B14R0.340 NCCCCNCCCC[C@H](N)C(O)=O HMDB0011150 [0,2,0,0,0,0|2,0,0]=4 51 B14R0.344 CCCCCCCCC(=O)NCC(O)=O HMDB0013279 [0,2,0,0,0,0|1,0,1]=4 52 B14R0.394 CC(=O)OCCCCCCCCCC=C HMDB0031017 [0,2,0,0,0,0|0,0,2]=4 53 B14R0.394 CC(C)CCCCCCCCCCC=O HMDB0032432 [0,2,0,0,0,0|0,0,0]=2 54 B14R0.394 CCCCCCCCCCCCC(C)=O HMDB0030924 [0,2,0,0,0,0|0,0,0]=2 55 B14R0.394 CCCCCCCCCCCCC(O)=O HMDB0000910 [0,2,0,0,0,0|0,0,0]=2 56 B14R0.394 OCCCCCCCCCCCC(O)=O HMDB0002059 [0,2,0,0,0,0|0,0,0]=2 57 B14R0.392 CCCC/C=C/CCCCCCCC=O HMDB0032526 [0,2,0,0,0,0|0,0,0]=2 58 B14R0.392 CCCCCCC/C=C/CCCCCC HMDB0031083 [0,2,0,0,0,0|1,0,1]=4 59 B14R0.392 CCCCCCCCCCC/C=C/C=O HMDB0032525 [0,2,0,0,0,0|0,0,0]=2 60 B14R0.392 CCCCCCCCCCCCCC=C HMDB0031082 [0,2,0,0,0,0|1,0,0]=3 61 B14R0.392 CCCCCCCCCCCCCC=O HMDB0034283 [0,2,0,0,0,0|0,0,0]=2 62 B14R0.392 CCCCCCCCCCCCCCO HMDB0011638 [0,2,0,0,0,0|0,0,2]=4 63 B12R1.372 CCCCC/C=C1/CCCC1=O HMDB0031728 [1,0,0,1,0,0|0,0,2]=4 64 B14R1.122 CCCCC/C=C/CC1CCC(=O)O1 HMDB0030867 [0,1,0,1,0,0|0,0,2]=4 65 B14R1.122 CCCCC/C=C\CC1CCC(=O)O1 HMDB0032331 [0,1,0,1,0,0|0,0,2]=4