0 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 CCC(=O)OCC(C)C HMDB0034239 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,0,0,0,0,0|1,0,1]=2 7 B8R0.9 CSC(=O)CCC(C)C HMDB0039468 [0,0,0,0,0,0|1,1,1]=3 8 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.3 CCC(=O)SCC=C HMDB0037493 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,0,0,0,0,0|0,0,1]=2 13 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,0,0,0,0,0|0,0,1]=2 15 B7R0.3 COC(=O)CCSC HMDB0034377 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.4 CC(=O)CCCC=O HMDB0033568 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.6 CC(=O)COC(C)=O HMDB0034466 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.6 OC(=O)CCN(=O)=O HMDB0034259 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.7 NC(=O)CCC(=O)C(O)=O HMDB0001552 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.23 CSC(=O)C(C)OC(C)=O HMDB0036204 [0,1,0,0,0,0|1,1,0]=3 34 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [0,1,0,0,0,0|0,0,2]=3 35 B9R0.24 COC(=O)CCC(=O)OC HMDB0033837 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.42 CCS(=O)CC(N)C(O)=O HMDB0037057 [0,1,0,0,0,0|3,0,0]=4 37 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,1,0,0,0,0|0,0,0]=1 41 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,1,0,0,0,0|1,0,1]=3 42 B9R1.35 CC(=O)C1CCC(=O)O1 HMDB0038072 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,0,0,1,0,0|2,1,0]=4 44 B9R1.69 CC1NC(=O)CNC1=O HMDB0031547 [0,0,0,1,0,0|3,0,0]=4 45 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,0,0,0,1,0|1,0,1]=3 46 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,0,0,0,1,0|0,0,2]=3 47 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,0,0,0,1,0|0,1,1]=3 48 B7R0.2 CSC(=O)CC(C)C HMDB0039843 [0,0,0,0,1,0|1,1,1]=4 49 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,0,0,0,1,0|1,1,1]=4 50 B9R0.1 CCC(=O)OCCC(C)C HMDB0034164 [0,0,0,0,0,1|2,0,1]=4 51 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,0,0,0,0,1|1,0,1]=3 52 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,0,0,0,0,1|1,0,0]=2 53 B6R0.1 CCC(=O)/C=C/C HMDB0035239 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.1 CCC(=O)CSC HMDB0037193 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,0]=2 56 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,0]=3 57 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,1]=3 60 B6R0.4 CCCOC(C)=O HMDB0034237 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.4 CCCSC(C)=O HMDB0033856 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,1,0]=3 64 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,1]=3 66 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|0,0,0]=2 67 B6R0.6 C/C=C/CCC=O HMDB0040271 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.6 C/C=C\CCC=O HMDB0033549 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.6 CC/C=C\CC=O HMDB0031498 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.6 CCC=CCC=O HMDB0031497 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.6 CSCCCC=O HMDB0037474 [2,0,0,0,0,0|0,1,1]=4 72 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|0,0,1]=3 74 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,1]=3 75 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|0,0,1]=3 77 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,1,0,0,0,0|0,0,1]=3 78 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.6 CCCCCC(=O)OC HMDB0035238 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.6 CCCCCC(=O)SC HMDB0039465 [1,1,0,0,0,0|0,1,1]=4 82 B8R0.6 CCCCOC(=O)CC HMDB0030052 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [1,1,0,0,0,0|0,0,2]=4 84 B8R0.6 COC(=O)CCCSC HMDB0037619 [1,1,0,0,0,0|0,0,1]=3 85 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.11 CCCC/C(=C\C)C=O HMDB0037152 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [1,1,0,0,0,0|1,0,0]=3 90 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.7 CCCCCOC(C)=O HMDB0039095 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.7 CSCCCOC(C)=O HMDB0031717 [1,1,0,0,0,0|0,1,1]=4 94 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,1,0,0,0,0|1,0,0]=3 95 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [1,1,0,0,0,0|2,0,0]=4 96 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [1,1,0,0,0,0|2,0,0]=4 97 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [1,1,0,0,0,0|0,0,0]=2 98 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.23 CC(OC(C)=O)C(C)=O HMDB0033698 [1,1,0,0,0,0|1,0,0]=3 103 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [1,1,0,0,0,0|1,0,0]=3 104 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [1,1,0,0,0,0|1,0,0]=3 105 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [1,1,0,0,0,0|1,0,0]=3 106 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,1,0,0,1,0|2,0,0]=4 107 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,1,0,0,1,0|0,0,2]=4 108 B10R0.46 CCC(=O)OC(C)C(=O)SC HMDB0040003 [0,2,0,0,0,0|1,1,0]=4 109 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,2,0,0,0,0|2,0,0]=4 110 B10R0.78 CCCOC(=O)CCC(C)=O HMDB0041616 [0,2,0,0,0,0|0,0,0]=2 111 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.13 CC(=O)C1CCC(C)=CC1 HMDB0033434 [0,0,0,1,0,1|2,0,0]=4 116 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [0,1,0,1,0,0|1,0,1]=4 117 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,0,0,1,0|1,0,0]=3 118 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,0,0,0,1,0|2,0,0]=4 119 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,0,0,0,1,0|0,0,0]=2 120 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,0,0,0,1,0|1,0,0]=3 121 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,0,0,0,1,0|1,0,1]=4 122 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,0,0,0,1,0|1,0,1]=4 123 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,1,0|1,0,1]=4 124 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,1,0|1,0,1]=4 125 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,0,0,0,1,0|0,1,1]=4 126 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,2,0|1,0,0]=3 127 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,0,0,0,2,0|1,0,0]=3 128 B6R0.3 COC(=O)C(C)C HMDB0031249 [0,0,0,0,2,0|1,0,1]=4