0 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.16 CC(C)[C@H](N)C(O)=O HMDB0000883 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.16 CC(O)C(=O)C(O)=O HMDB0039324 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.16 OC(=O)C(=O)C(O)=O HMDB0031522 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.16 OC(C(O)=O)C(O)=O HMDB0035227 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,0,0,0,0,0|1,1,0]=3 16 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.3 CC(C)C(S)CO HMDB0039781 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 CC(O)C(O)CO HMDB0034778 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.3 CCC(C)C(O)S HMDB0032373 [1,0,0,0,0,0|1,1,1]=4 24 B6R0.3 CCC(O)C(C)=O HMDB0031516 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 CCC(S)C(C)=O HMDB0034896 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 CSC(C)C(C)=O HMDB0041558 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.2 CC(O)C(O)C(O)CO HMDB0041486 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.2 CCC(C)C(N)C(O)=O HMDB0033923 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,1,0,0,0,0|0,0,0]=1 36 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.37 CC(=O)C(C)(O)C(O)=O HMDB0006833 [0,1,0,0,0,0|1,0,2]=4 38 B8R0.37 CC(=O)[C@](C)(O)C(O)=O HMDB0006855 [0,1,0,0,0,0|1,0,2]=4 39 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.50 CC1SC=C(O)C1S HMDB0039797 [0,0,0,1,0,0|2,1,0]=4 41 B8R1.50 O[C@@H]1COC(O)[C@@H]1O HMDB0002649 [0,0,0,1,0,0|1,0,2]=4 42 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [0,0,0,0,0,1|1,0,2]=4 43 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,0,0,0,0,1|2,0,1]=4 44 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,0,0,0,0,1|2,0,1]=4 45 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,0,0,0,0,1|2,0,0]=3 46 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,0,0,0,0,1|2,0,0]=3 47 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,0,0,0,0,1|1,0,0]=2 48 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,0,0,0,0,1|2,0,0]=3 49 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,0,1|1,0,1]=3 50 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,0,1|1,0,2]=4 51 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,0,1|2,0,1]=4 52 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,2]=4 53 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CC(=O)CCS HMDB0041015 [2,0,0,0,0,0|1,1,0]=4 56 B5R0.1 CC(C)CC=O HMDB0006478 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CC(C)OC=O HMDB0040579 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CC(O)CCO HMDB0031320 [2,0,0,0,0,0|0,0,1]=3 59 B5R0.1 CC(O)CCS HMDB0041475 [2,0,0,0,0,0|0,1,1]=4 60 B5R0.1 CCCC(C)=O HMDB0034235 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 CCCC(C)O HMDB0031599 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 CCCC(N)=O HMDB0033870 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,0]=2 64 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CSCC(C)=O HMDB0040170 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.1 OC(=O)CCS HMDB0041604 [2,0,0,0,0,0|0,1,0]=3 72 B5R0.3 CCC(C)C=O HMDB0031526 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.3 CCC(C)CO HMDB0031527 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.3 CCC(O)C=C HMDB0031605 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 CC[C@H](C)C=O HMDB0031525 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.5 CC(C)C(C)O HMDB0033777 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.5 CC(O)C(C)=C HMDB0039779 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.5 CC(O)C(C)S HMDB0040185 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.5 CC(S)C(C)=O HMDB0031982 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.5 CC(S)C(O)=O HMDB0031520 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.5 C[C@@H](O)[C@@H](C)O HMDB0033007 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,1,0,0,0,0|0,0,0]=2 83 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,1,0,0,0,0|0,0,0]=2 86 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,1,0,0,0,0|0,1,0]=3 87 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [1,1,0,0,0,0|1,1,0]=4 88 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|1,1,0]=4 89 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [1,1,0,0,0,0|1,1,0]=4 91 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [1,1,0,0,0,0|0,0,0]=2 96 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,1,0,0,0,0|0,0,0]=2 97 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|1,0,0]=3 100 B7R0.10 CCC(S)C(C)C=O HMDB0035176 [1,1,0,0,0,0|1,1,0]=4 101 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.15 OC(=O)C(CS)CS HMDB0035716 [1,1,0,0,0,0|1,1,0]=4 104 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,0,1|2,0,0]=4 105 B9R0.42 CCS(=O)CC(N)C(O)=O HMDB0037057 [0,1,0,0,0,1|1,0,1]=4 106 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [0,1,0,0,0,1|1,0,1]=4 107 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,0,1|0,0,0]=2 108 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.27 OC[C@@H](O)[C@@H](O)[C@H](O)C=O HMDB0029942 [0,2,0,0,0,0|1,0,1]=4 110 B7R1.4 CC1CCOC1=O HMDB0035143 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.4 NC1CCOC1=O HMDB0029387 [1,0,0,1,0,0|0,0,0]=2 112 B7R1.4 SC1COCC1=O HMDB0039786 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|0,0,0]=2 115 B7R1.19 NC1(CC1)C(O)=O HMDB0036458 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.35 CC(O)C1CCC(=O)O1 HMDB0033286 [0,0,0,1,0,1|2,0,0]=4 117 B9R1.35 CC(O)C1OC(=O)C=C1 HMDB0033285 [0,0,0,1,0,1|2,0,0]=4 118 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,1|1,0,0]=3 119 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,0,0,1,0,1|1,0,1]=4 120 B9R1.35 OC1CNC(C1)C(O)=O HMDB0036576 [0,0,0,1,0,1|0,0,0]=2 121 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.106 CC1(O)C(O)COC1=O HMDB0029884 [0,1,0,1,0,0|1,0,0]=3 124 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,0,0,0,0,1|1,0,1]=4 125 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,1|2,0,0]=4 126 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,1|1,0,0]=3 127 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [1,0,0,0,0,1|2,0,0]=4 128 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,1|2,0,0]=4 129 B9R0.7 C[S+](C)CCC(N)C(O)=O HMDB0038670 [0,0,0,0,0,2|2,0,0]=4 130 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,0,0,0,0,2|1,0,1]=4