0 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [1,0,0,0,0,0|0,0,3]=4 9 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.256 CCC1=C(O)C(=O)CC1C HMDB0036176 [0,0,0,1,0,0|0,0,2]=3 19 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,0,0,0,0,1|1,0,2]=4 20 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,0,0,0,0,1|1,0,0]=2 21 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,0,0,0,0,1|1,0,0]=2 22 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.1 CCCCCCCC HMDB0001485 [2,0,0,0,0,0|0,0,1]=3 24 B7R0.1 CCCCCCCO HMDB0031479 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.1 CCCCCCCS HMDB0032304 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.1 CCCCCCOC HMDB0032407 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.1 CCCCOCCO HMDB0031327 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.1 CCCCSSCC HMDB0032180 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.1 CCCSSCCC HMDB0031472 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,0]=2 31 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.3 CCCCC(C)CC HMDB0031583 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|0,0,2]=4 36 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|0,0,0]=2 37 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [2,0,0,0,0,0|1,1,0]=4 46 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.5 CC/C=C\CC(O)CCO HMDB0030368 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,1,0,0,0,0|1,0,1]=4 53 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,1,0,0,0,0|0,0,0]=2 54 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.5 CCCCCC(O)CCO HMDB0029359 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [1,1,0,0,0,0|0,0,0]=2 58 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.8 CCC(C)C(=O)SCSC HMDB0031714 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [1,1,0,0,0,0|0,0,2]=4 63 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [1,1,0,0,0,0|0,1,1]=4 65 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.19 CCOC(=O)C(C)(O)CC HMDB0032269 [1,1,0,0,0,0|1,0,0]=3 70 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.27 OC[C@@H](O)[C@@H](O)C(=O)CO HMDB0000621 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.27 OC[C@H](O)[C@@H](O)C(=O)CO HMDB0000751 [1,1,0,0,0,0|2,0,0]=4 74 B9R0.27 OC[C@H](O)[C@@H](O)C(=O)CO HMDB0001644 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.37 CCOC(=O)C(CC)CC HMDB0040298 [1,1,0,0,0,0|2,0,0]=4 76 B11R0.11 CCCCC(C)C(=C)CCCC HMDB0032236 [0,2,0,0,0,0|2,0,0]=4 77 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [1,0,0,1,0,0|0,0,2]=4 80 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [1,0,0,1,0,0|0,0,2]=4 81 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [1,0,0,1,0,0|0,0,2]=4 82 B11R2.566 CN1[C@@H]2CCC1(O)CCC2 HMDB0030338 [0,0,0,2,0,0|2,0,0]=4