0 B10R0.3 CC(CCO)CCCC(C)=C HMDB0037171 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.3 CCCC(S)CCOC(C)=O HMDB0038920 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035093 [0,0,0,0,0,0|4,0,0]=4 3 B10R0.3 C[C@@H](CCO)CCC=C(C)C HMDB0035094 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.2 CC(=O)CCCCCC=C HMDB0035926 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [1,0,0,0,0,0|0,0,2]=3 6 B9R0.2 CC/C=C\CCOC(C)=O HMDB0040215 [1,0,0,0,0,0|0,0,2]=3 7 B9R0.2 CCC/C=C/CCC(C)=O HMDB0034761 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.2 CCC/C=C/COC(C)=O HMDB0040212 [1,0,0,0,0,0|0,0,2]=3 9 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.2 CCCCCCCC(C)O HMDB0033916 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,0,0,0,0,0|0,0,0]=1 16 B11R0.45 CCCC(CCOC(C)=O)SC HMDB0032427 [0,1,0,0,0,0|0,0,0]=1 17 B11R0.147 CCCCC(S)CCOC(C)=O HMDB0032372 [0,1,0,0,0,0|0,0,0]=1 18 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,0,0,0,1,0|1,1,1]=4 19 B11R0.176 OC(=O)CCCCC(S)CCS HMDB0012210 [0,0,0,0,0,1|3,0,0]=4 20 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [2,0,0,0,0,0|0,0,2]=4 21 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [2,0,0,0,0,0|0,0,2]=4 22 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [2,0,0,0,0,0|0,0,2]=4 23 B8R0.7 CCCCCCC(C)=O HMDB0031294 [2,0,0,0,0,0|0,0,0]=2 24 B8R0.7 CCCCCCC(C)C HMDB0031556 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.7 CCCCCCC(C)O HMDB0034261 [2,0,0,0,0,0|0,0,2]=4 26 B8R0.7 CCCCCCC(O)=O HMDB0000666 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 CCCCCOC(C)=O HMDB0039095 [2,0,0,0,0,0|0,0,0]=2 28 B8R0.7 CSCCCOC(C)=O HMDB0031717 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [2,0,0,0,0,0|1,0,0]=3 31 B8R0.4 CC/C=C\CCOC=O HMDB0040214 [2,0,0,0,0,0|0,0,2]=4 32 B8R0.4 CCC/C=C/COC=O HMDB0038271 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.4 CCCCC/C=C\C=O HMDB0030961 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.4 CCCCCCCC=C HMDB0031270 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.4 CCCCCCCCC HMDB0029595 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.4 CCCCCCOC=O HMDB0032874 [2,0,0,0,0,0|0,0,0]=2 37 B10R0.4 CCC/C=C/CCOC(C)=O HMDB0037618 [1,1,0,0,0,0|0,0,1]=3 38 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [1,1,0,0,0,0|0,0,1]=3 39 B10R0.4 CCCCCC/C=C\C(C)=O HMDB0031410 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.4 CCCCCC/C=C\C(O)=O HMDB0031271 [1,1,0,0,0,0|2,0,0]=4 41 B10R0.4 CCCCCCCCC(C)=O HMDB0031409 [1,1,0,0,0,0|1,0,0]=3 42 B10R0.4 CCCCCCCCC(O)=O HMDB0000847 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [1,1,0,0,0,0|0,0,0]=2 44 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.74 CC/C=C\CCOC(=O)CC HMDB0038275 [1,1,0,0,0,0|0,0,2]=4 46 B10R0.74 CCC/C=C/COC(=O)CC HMDB0038272 [1,1,0,0,0,0|0,0,2]=4 47 B10R0.74 CCCCC/C=C/C(=O)OC HMDB0032413 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.74 CCCCC/C=C\C(=O)OC HMDB0037496 [1,1,0,0,0,0|1,0,1]=4 49 B10R0.74 CCCCCC#CC(=O)OC HMDB0031302 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.74 CCCCCCCC(=O)CC HMDB0032212 [1,1,0,0,0,0|1,0,0]=3 51 B10R0.74 CCCCCCCC(=O)OC HMDB0031291 [1,1,0,0,0,0|1,0,0]=3 52 B10R0.74 CCCCCCCC(=O)OO HMDB0032827 [1,1,0,0,0,0|2,0,0]=4 53 B10R0.74 CCCCCCOC(=O)CC HMDB0034606 [1,1,0,0,0,0|0,0,0]=2 54 B10R0.78 CCCCC(C)CCC(O)=O HMDB0031557 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [1,1,0,0,0,0|0,0,0]=2 56 B12R0.233 CC/C=C\CC(O)CCOC(C)=O HMDB0030369 [0,2,0,0,0,0|0,1,0]=3 57 B12R0.285 CCCC(S)CCOC(=O)CCC HMDB0038948 [0,2,0,0,0,0|0,0,0]=2 58 B12R0.285 CCC[C@H](S)CCOC(=O)CCC HMDB0037765 [0,2,0,0,0,0|0,0,0]=2 59 B10R1.10 CCCC1CCCC(=O)O1 HMDB0038310 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.10 CCCC1CCOC(C)S1 HMDB0031572 [1,0,0,1,0,0|0,1,1]=4 61 B10R1.16 CCCCC1CCC(=O)O1 HMDB0035422 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [1,0,0,1,0,0|0,0,0]=2 65 B10R1.18 OC(=O)CC1CCCCC1 HMDB0031403 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [1,0,0,1,0,0|1,0,0]=3 67 B12R1.252 CC(=O)OCCC1CCCCC1 HMDB0031362 [0,1,0,1,0,0|1,0,0]=3 68 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [1,0,0,0,1,0|1,0,0]=3 69 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,0,0,0,2,0|1,0,0]=3 70 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,0,0,0,2,0|2,0,0]=4