0 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCCC(S)CCO HMDB0040152 [0,0,0,0,0,0|4,0,0]=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)CCS HMDB0040410 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCOC(C)OCC HMDB0031644 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.7 CCSC(C)CCO HMDB0032277 [0,0,0,0,0,0|2,1,0]=3 8 B7R0.7 CCSC(C)SSC HMDB0033057 [0,0,0,0,0,0|1,2,0]=3 9 B6R0.1 CCC(C)CCO HMDB0033676 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCCC(C)C=O HMDB0031578 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(O)CC HMDB0031493 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 CCOC(C)CC HMDB0031326 [1,0,0,0,0,0|0,0,0]=1 15 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 CCCCCCS HMDB0039806 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 CCCCOC=O HMDB0040575 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 CCCSSCC HMDB0033053 [1,0,0,0,0,0|2,1,0]=4 23 B6R0.6 CCSSSCC HMDB0039524 [1,0,0,0,0,0|1,2,0]=4 24 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.1 CCSSC(C)SCC HMDB0033055 [0,1,0,0,0,0|0,2,0]=3 29 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.5 CCOC(=O)CC(C)O HMDB0040409 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,0|0,0,1]=2 39 B8R0.22 CCCC(CCO)SC HMDB0040153 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 CC1NC(C)SCS1 HMDB0039817 [0,0,0,1,0,0|2,1,0]=4 43 B8R1.8 CCCC1NCCS1 HMDB0040058 [0,0,0,1,0,0|2,1,0]=4 44 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.18 CC1OC(C)C(C)O1 HMDB0040279 [0,0,0,1,0,0|0,0,0]=1 47 B8R1.18 CC1SC(C)C(C)=N1 HMDB0038973 [0,0,0,1,0,0|1,1,1]=4 48 B5R0.1 CC(C)CCN HMDB0031659 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CC(C)CCS HMDB0033902 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(C)OC=O HMDB0040579 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(O)CCO HMDB0031320 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(O)CCS HMDB0041475 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CCCC(C)O HMDB0031599 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CCCC(C)S HMDB0041010 [2,0,0,0,0,0|1,1,0]=4 55 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|0,0,2]=4 56 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.2 CCCOC=O HMDB0040253 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|1,1,0]=4 61 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.2 CCSSCC HMDB0029572 [2,0,0,0,0,0|0,2,0]=4 63 B5R0.3 CCC(=O)OC HMDB0030062 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.3 CCC(C)C=O HMDB0031526 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.3 CCC(C)CN HMDB0032392 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.3 CCC(C)CO HMDB0031527 [2,0,0,0,0,0|1,0,0]=3 67 B5R0.3 CCC(C)CS HMDB0035418 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.3 CCC(S)CS HMDB0041492 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 CC[C@H](C)C=O HMDB0031525 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.3 COC(=O)OC HMDB0029580 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.3 COC(C)OC HMDB0030061 [2,0,0,0,0,0|0,0,0]=2 72 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.3 CCCCC(O)CC HMDB0031481 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.3 CCCSC(S)CC HMDB0040056 [1,1,0,0,0,0|1,1,0]=4 77 B7R0.3 CCSSC(C)SC HMDB0033046 [1,1,0,0,0,0|0,2,0]=4 78 B7R0.5 CCCC(C)C(C)C HMDB0037617 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.10 CCC(S)C(C)CO HMDB0034878 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.11 CCCC(C)(C)CC HMDB0031418 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.11 CCCC(C)(S)CO HMDB0032374 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.12 CCC(SC)SSC HMDB0033042 [1,1,0,0,0,0|1,1,0]=4 87 B7R0.1 CCCCCCCO HMDB0031479 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.1 CCCCCCCS HMDB0032304 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.1 CCCCCCOC HMDB0032407 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.1 CCCCOCCO HMDB0031327 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.1 CCCCSSCC HMDB0032180 [1,1,0,0,0,0|1,1,0]=4 92 B7R0.1 CCSCSSCC HMDB0033056 [1,1,0,0,0,0|0,2,0]=4 93 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.4 CCOCC=C(C)C HMDB0038052 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.5 CCCCOC(C)OCC HMDB0037635 [0,2,0,0,0,0|0,0,0]=2 98 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.35 CCOC(=O)C(C)SSC HMDB0038896 [0,2,0,0,0,0|1,1,0]=4 102 B9R0.40 CCSSC(CC)SCC HMDB0033045 [0,2,0,0,0,0|0,2,0]=4 103 B7R1.1 OCC1CCCO1 HMDB0031175 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.2 CC1COC(C)O1 HMDB0032230 [1,0,0,1,0,0|0,0,0]=2 106 B7R1.2 CC1OCC(C)=N1 HMDB0040518 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.3 CC1CCCCN1 HMDB0032416 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.3 CC1OCCCS1 HMDB0039826 [1,0,0,1,0,0|0,1,0]=3 109 B7R1.3 NC1CCCCC1 HMDB0031404 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.4 CC1CCOC1=O HMDB0035143 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.4 CC1OCCC1=O HMDB0031178 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.4 CC1OCCC1O HMDB0039799 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.4 CC1OCCC1S HMDB0036138 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.4 CC1SCCC1O HMDB0035244 [1,0,0,1,0,0|1,1,0]=4 115 B7R1.4 CC1SCCC1S HMDB0039790 [1,0,0,1,0,0|1,1,0]=4 116 B9R1.7 CCCC1CCC(=O)O1 HMDB0031681 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,1,0,1,0,0|0,0,1]=3 118 B9R1.8 CCCC1CCCCN1 HMDB0030285 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.34 CC1NC(C)SC(C)S1 HMDB0031187 [0,1,0,1,0,0|0,2,0]=4 120 B9R1.34 CC1OC(C)OC(C)O1 HMDB0032456 [0,1,0,1,0,0|0,0,0]=2 121 B9R1.34 CC1OC(C)SC(C)O1 HMDB0039653 [0,1,0,1,0,0|0,0,0]=2 122 B9R1.34 CC1SC(C)SC(C)S1 HMDB0031671 [0,1,0,1,0,0|0,2,0]=4