0 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 CCCCCC=O HMDB0005994 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 CNCCCCN HMDB0003661 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 NCCCCC=O HMDB0012815 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 NCCCCCN HMDB0002322 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 NCCNCCN HMDB0031413 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 OCCSCCO HMDB0042033 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|1,1,0]=3 19 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 CC/C=C\CCCO HMDB0031405 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.1 CCCCCCCC HMDB0001485 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.1 CCCCCCCO HMDB0031479 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.1 CCCCCCCS HMDB0032304 [0,1,0,0,0,0|2,1,0]=4 31 B7R0.1 CCCCCCOC HMDB0032407 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.1 CCCCOCCO HMDB0031327 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.1 CCCSSCCC HMDB0031472 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.1 SCCCCCCS HMDB0031709 [0,1,0,0,0,0|1,2,0]=4 35 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|2,1,0]=4 40 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|3,0,0]=4 47 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,2]=4 48 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,0]=3 50 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,0]=2 51 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,0]=3 52 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|0,0,0]=2 54 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,0]=3 55 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 56 B4R0.2 NCCCN HMDB0000002 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 58 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|0,0,2]=4 59 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|0,2,0]=4 60 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|1,0,1]=4 64 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|0,0,1]=3 65 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,0,1]=3 68 B8R0.4 CC/C=C\CCCCO HMDB0031298 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.4 CCCC/C=C/CCO HMDB0035768 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.4 CCCCCCCCO HMDB0001183 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.4 NCCCNCCCN HMDB0011634 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,2,0,0,0,0|2,0,0]=4 76 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|0,0,1]=3 80 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.19 OCC(O)CC(O)CO HMDB0031201 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,2,0,0,0,0|1,0,1]=4 86 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,2,0,0,0,0|1,0,1]=4 87 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|2,0,0]=4 88 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|0,0,0]=2 89 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|1,1,0]=4 90 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,1,0,0|0,1,0]=3 92 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,0,2]=4 93 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,0,1]=4 94 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,0,1]=4 95 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|1,0,1]=4