0 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.4 CC(C)COC=O HMDB0031247 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|0,0,0]=1 11 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.4 CCCOC(C)=O HMDB0034237 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCCSC(C)=O HMDB0033856 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.9 CCC(=O)OCC(C)C HMDB0034239 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.9 CSC(=O)CCC(C)C HMDB0039468 [0,1,0,0,0,0|0,1,2]=4 22 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,0|0,0,0]=1 25 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,0|0,0,1]=2 27 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,1,0,0,0,0|0,0,2]=3 31 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.51 CC1(C)OC(=O)C=C1 HMDB0040260 [0,0,0,1,0,0|0,0,0]=1 33 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,1,0|1,0,1]=3 34 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,1,0|0,0,1]=2 35 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,1,0|0,0,1]=2 36 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,1,0|2,0,0]=3 37 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,1,0|1,0,1]=3 38 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,1,0|2,0,1]=4 39 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,0,0,0,1|2,0,0]=3 40 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,1|1,0,1]=3 41 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,1|1,0,2]=4 42 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,1|1,0,2]=4 43 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,1|1,0,2]=4 44 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,0,0,0,1|1,0,0]=2 45 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,0,0,0,1|0,0,2]=3 46 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,1|1,0,2]=4 47 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,0,0,0,1|2,0,1]=4 48 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,0]=2 49 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|0,0,1]=3 51 B5R0.1 CC(C)=CCO HMDB0030124 [2,0,0,0,0,0|0,0,2]=4 52 B5R0.1 CC(C)CC=O HMDB0006478 [2,0,0,0,0,0|0,0,1]=3 53 B5R0.1 CC(C)OC=O HMDB0040579 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CCCC(C)=O HMDB0034235 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CCCC(N)=O HMDB0033870 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,1]=3 57 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 OC(=O)CCS HMDB0041604 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.2 C=C/C=C\C=O HMDB0031597 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.2 CC/C=C/SC HMDB0038892 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,0]=2 67 B5R0.2 CC/C=C\CO HMDB0031604 [2,0,0,0,0,0|0,0,1]=3 68 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,2]=4 69 B5R0.2 CCCOC=O HMDB0040253 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|0,0,2]=4 71 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|0,0,2]=4 73 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.4 CC(C)=CCOC=O HMDB0032490 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.4 CC(C)CCOC=O HMDB0034163 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [1,1,0,0,0,0|0,0,0]=2 79 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|0,0,2]=4 82 B7R0.4 CSS/C=C/C(C)C HMDB0038890 [1,1,0,0,0,0|1,1,0]=4 83 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,1,0,0,0,0|0,0,2]=4 84 B7R0.5 CC(=O)C(/C)=C\C=O HMDB0033569 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,1,0,0,0,0|0,0,0]=2 86 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|0,0,2]=4 88 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,1,0|1,0,1]=4 92 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,1,0|1,0,1]=4 93 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,1,0|1,0,0]=3 94 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,1,0|0,0,0]=2 95 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,1,0|0,0,1]=3 96 B7R0.16 CC(C)[C@H](N)C(O)=O HMDB0000883 [0,1,0,0,1,0|0,0,1]=3 97 B7R0.16 CC(O)C(=O)C(O)=O HMDB0039324 [0,1,0,0,1,0|1,0,0]=3 98 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,1,0,0,1,0|1,0,1]=4 99 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,1|0,0,2]=4 100 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,1,0,0,0,1|2,0,0]=4 101 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.64 CC(=C)/C=C/C(C)(C)C=C HMDB0041574 [0,2,0,0,0,0|2,0,0]=4 106 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.2 CC1CC(S)=CS1 HMDB0039796 [1,0,0,1,0,0|1,1,0]=4 108 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [1,0,0,1,0,0|0,0,2]=4 109 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,1,0,0|0,0,0]=2 110 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.35 CC(C)C1=CC=C(C)O1 HMDB0033238 [0,0,0,1,0,1|1,0,0]=3 115 B9R1.35 CC(C)C1=CSC(C)=N1 HMDB0040100 [0,0,0,1,0,1|2,0,0]=4 116 B9R1.35 CC(C)C1=NC(C)=CS1 HMDB0037156 [0,0,0,1,0,1|2,0,0]=4 117 B9R1.35 CC(C)C1OC(=O)C=C1 HMDB0041474 [0,0,0,1,0,1|0,0,0]=2 118 B9R1.35 CC(O)C1OC(=O)C=C1 HMDB0033285 [0,0,0,1,0,1|1,0,0]=3 119 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,1|0,0,2]=4 120 B9R1.10 CC1(O)CCC(=O)C=C1 HMDB0033629 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,1,0,1,0,0|0,0,2]=4 123 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.38 CC1=CC(=O)C(C)(C)C1 HMDB0040246 [0,1,0,1,0,0|2,0,0]=4 125 B5R0.5 CC(C)C(C)O HMDB0033777 [0,0,0,0,2,0|1,0,1]=4 126 B5R0.5 CC(S)C(C)=O HMDB0031982 [0,0,0,0,2,0|2,0,0]=4 127 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,2,0|1,0,0]=3 128 B9R0.55 CC(C)CC/C=C/C(C)=O HMDB0039461 [0,0,0,0,0,2|1,0,0]=3 129 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,0,0,0,0,2|0,0,2]=4