0 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,0,0,0,0|0,0,1]=2 12 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,0,0,0,0,0|0,0,3]=4 14 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.4 CC/C=C/C=C/CCO HMDB0040149 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.4 CCCC/C=C/CCO HMDB0035768 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,0,0,0,0,0|0,0,2]=3 20 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,0,0,0,0,0|0,0,0]=1 21 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [1,0,0,0,0,0|0,0,2]=3 25 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.1 CCCCCCC(=O)OCC HMDB0000798 [0,1,0,0,0,0|0,0,2]=3 28 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.1 CCOC(=O)CC/C=C\CC HMDB0032265 [0,1,0,0,0,0|0,0,2]=3 30 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,1,0,0,0,0|0,0,1]=2 31 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,1,0,0,0,0|2,0,1]=4 32 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,1,0,0,0,0|1,0,1]=3 34 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.6 CCCCCC(=O)OC(C)C HMDB0040430 [0,1,0,0,0,0|0,0,2]=3 36 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.83 CCCCOC(=O)C(C)CC HMDB0039216 [0,1,0,0,0,0|2,0,1]=4 38 B10R0.91 C/C=C/C=C/C(=O)OCC=C HMDB0036227 [0,1,0,0,0,0|0,0,3]=4 39 B10R0.91 CCC/C=C/C(=O)OCC=C HMDB0038268 [0,1,0,0,0,0|0,0,1]=2 40 B10R0.91 CCCCCC(=O)OCC=C HMDB0040210 [0,1,0,0,0,0|0,0,3]=4 41 B10R0.91 CCCCCC(=O)OCCC HMDB0034165 [0,1,0,0,0,0|0,0,2]=3 42 B10R0.91 CCCCCC(=O)OCSC HMDB0038300 [0,1,0,0,0,0|0,0,2]=3 43 B10R0.91 CCCCOC(=O)CCCC HMDB0040295 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,1]=3 48 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|0,0,1]=3 49 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|1,0,1]=4 51 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|1,0,0]=3 52 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|0,0,0]=2 54 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [2,0,0,0,0,0|0,0,0]=2 55 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|0,0,0]=2 58 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [2,0,0,0,0,0|0,0,0]=2 59 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|0,0,2]=4 60 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|0,0,2]=4 61 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [1,1,0,0,0,0|0,0,2]=4 65 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [1,1,0,0,0,0|0,0,1]=3 68 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [1,1,0,0,0,0|0,0,0]=2 69 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [1,1,0,0,0,0|0,0,2]=4 70 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|0,0,1]=3 73 B9R0.45 CC/C=C\C/C=C\CCO HMDB0030957 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.45 CCCC/C=C/C=C/CO HMDB0034845 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.45 CCCC/C=C\C=C/CO HMDB0038400 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [1,1,0,0,0,0|0,0,2]=4 77 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.50 CCC/C=C/C(OC)OC HMDB0032225 [1,1,0,0,0,0|0,0,2]=4 79 B11R0.4 CCC/C=C/CCC(=O)OCC HMDB0039795 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.4 CCC/C=C/COC(=O)CCC HMDB0034581 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.4 CCCC/C=C/CC(=O)OCC HMDB0032275 [0,2,0,0,0,0|0,0,0]=2 82 B11R0.4 CCCCC/C=C\C(=O)OCC HMDB0037497 [0,2,0,0,0,0|0,0,0]=2 83 B11R0.4 CCCCCCCC(=O)OCC HMDB0040195 [0,2,0,0,0,0|0,0,2]=4 84 B11R0.4 CCOC(=O)CC/C=C/CC=C HMDB0031156 [0,2,0,0,0,0|0,0,2]=4 85 B11R0.62 CCOC(=O)/C=C\C(=O)OCC HMDB0038601 [0,2,0,0,0,0|0,0,1]=3 86 B11R0.81 CCCCCCC(=O)OCCC HMDB0034457 [0,2,0,0,0,0|0,0,2]=4 87 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,2,0,0,0,0|0,0,2]=4 88 B11R0.80 CCC/C=C/C(OCC)OCC HMDB0029760 [0,2,0,0,0,0|0,0,2]=4 89 B11R0.46 CCCCCC(=O)OCC(C)C HMDB0036228 [0,2,0,0,0,0|0,0,2]=4 90 B11R0.140 CCCCCC(=O)OCCCC HMDB0040211 [0,2,0,0,0,0|0,0,2]=4 91 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.11 CCC(=O)C1=NCCS1 HMDB0032493 [1,0,0,1,0,0|2,0,0]=4