0 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 CCCCCCC=C HMDB0032449 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.1 CCCCCCC=O HMDB0031475 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|0,0,1]=2 17 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.1 CC(CCC=C(C)C)C=O HMDB0031834 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.2 CC(=O)NCCCCCN HMDB0002284 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [0,1,0,0,0,0|0,0,2]=3 24 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,1,0,0,0,0|1,0,2]=4 27 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.47 NC(CCCC=O)C(O)=O HMDB0001263 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.6 OC(=O)C1CCCC=N1 HMDB0012130 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.41 NC(=O)N1CCCC1=O HMDB0029874 [0,0,0,1,0,0|3,0,0]=4 36 B6R0.6 C/C=C\CCCO HMDB0031502 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,2]=4 38 B6R0.6 CCCCON=O HMDB0031329 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.6 NCCCCC=O HMDB0012815 [2,0,0,0,0,0|1,0,1]=4 40 B6R0.6 O=CCCCC=O HMDB0029599 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,1]=3 42 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.4 CCCCCCCC=C HMDB0031270 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.6 CCCCCC(O)C=C HMDB0031299 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|0,0,1]=3 52 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,1,0,0,0,0|0,0,2]=4 56 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [1,1,0,0,0,0|1,0,0]=3 57 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [1,1,0,0,0,0|0,0,0]=2 58 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,1,0,0,0,0|0,0,2]=4 59 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [1,1,0,0,0,0|2,0,0]=4 62 B10R0.65 CC(C)=CCCC(C)(O)C=C HMDB0036100 [0,2,0,0,0,0|2,0,0]=4 63 B10R0.65 CC(C)=CCC[C@](C)(O)C=C HMDB0036101 [0,2,0,0,0,0|2,0,0]=4 64 B10R0.65 CC(C)=CCC[C@](C)(O)C=C HMDB0036102 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.82 CC(CCC(=O)C(C)=C)C=C HMDB0032120 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,2,0,0,0,0|1,0,0]=3 68 B10R0.4 CCCC/C=C/COC(C)=O HMDB0032307 [0,2,0,0,0,0|0,0,2]=4 69 B10R0.4 CCCCCCCOC(C)=O HMDB0031480 [0,2,0,0,0,0|0,0,2]=4 70 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [0,2,0,0,0,0|0,0,2]=4 71 B10R0.74 COC(=O)CC/C=C/CC=C HMDB0040285 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.97 CC(=O)NCCCCC(O)=O HMDB0012175 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.97 CC(C)CCCCOC(C)=O HMDB0032406 [0,2,0,0,0,0|0,0,2]=4 74 B10R0.87 CCCCC(CC)OC(C)=O HMDB0032309 [0,2,0,0,0,0|0,0,2]=4 75 B10R0.1 CCCC(=O)OCCCSC HMDB0032378 [0,2,0,0,0,0|1,0,1]=4 76 B10R0.1 CCCCCOC(=O)CCC HMDB0034162 [0,2,0,0,0,0|0,0,2]=4 77 B8R1.5 O=C1CCCCC1=O HMDB0031344 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|0,0,2]=4 79 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.18 CC(=O)OC1CCCCC1 HMDB0031352 [0,1,0,1,0,0|0,0,2]=4 83 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,1,0,1,0,0|0,0,2]=4 84 B10R1.113 CC(C)=C1CCCC(C)=C1 HMDB0037046 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,1,0,1,0,0|2,0,0]=4