0 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 CCOC(C)OCC HMDB0031644 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.7 CCSC(C)CCO HMDB0032277 [0,0,0,0,0,0|2,1,0]=3 7 B6R0.1 CCCC(=O)CC HMDB0000753 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCCC(C)C=O HMDB0031578 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCCC(O)CC HMDB0031493 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 CCOC(C)CC HMDB0031326 [1,0,0,0,0,0|0,0,0]=1 13 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,0|0,0,1]=2 31 B8R0.30 CCOP(O)(=O)OCC HMDB0012209 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.30 CCOP(O)(=S)OCC HMDB0001460 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,0,0,1,0,0|1,0,1]=3 38 B5R0.1 CC(C)CCN HMDB0031659 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CC(C)CCO HMDB0006007 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 CC(O)CCO HMDB0031320 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 CCCCCO HMDB0013036 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|1,1,0]=4 47 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|0,2,0]=4 49 B5R0.3 CCC(=O)OC HMDB0030062 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.3 CCC(C)C=O HMDB0031526 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.3 CCC(C)CN HMDB0032392 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.3 CCC(C)CO HMDB0031527 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.3 CC[C@H](C)C=O HMDB0031525 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.3 COC(=O)OC HMDB0029580 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.3 COC(C)OC HMDB0030061 [2,0,0,0,0,0|0,0,0]=2 56 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.11 CCCC(C)(C)CC HMDB0031418 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.11 CCCC(C)(S)CO HMDB0032374 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.1 CCCCCCCC HMDB0001485 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.1 CCCCCCCO HMDB0031479 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.1 CCCCCCCS HMDB0032304 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.1 CCCCCCOC HMDB0032407 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.1 CCCCOCCO HMDB0031327 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.1 CCCCSSCC HMDB0032180 [1,1,0,0,0,0|1,1,0]=4 70 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|1,0,1]=4 73 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,2,0,0,0,0|1,0,1]=4 75 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,2,0,0,0,0|1,0,1]=4 76 B7R1.2 CC1COC(C)O1 HMDB0032230 [1,0,0,1,0,0|0,0,0]=2 77 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,1,0,1,0,0|0,0,1]=3 80 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.34 CC1OC(C)OC(C)O1 HMDB0032456 [0,1,0,1,0,0|0,0,0]=2 82 B9R1.34 CC1SC(C)SC(C)S1 HMDB0031671 [0,1,0,1,0,0|0,2,0]=4