0 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.7 CCOC(C)OCC HMDB0031644 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCCC(=O)CC HMDB0000753 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.1 CCCC(=O)SC HMDB0031191 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCCC(O)C=C HMDB0031503 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,0,0,0,0|0,0,1]=2 12 B6R0.1 CCOC(C)CC HMDB0031326 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.1 COC(=O)CSC HMDB0035646 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.1 C/C=C\C(=O)OCC=C HMDB0032067 [0,1,0,0,0,0|0,0,1]=2 22 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [0,1,0,0,0,0|0,0,3]=4 23 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,0,0,0,0|0,0,2]=3 28 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,1,0,0,0,0|0,0,0]=1 33 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,1,0,0,0,0|0,0,2]=3 34 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,1,0,0,0,0|0,0,1]=2 37 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,1,0,0,0,0|0,0,1]=2 38 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,1,0,0,0,0|1,0,1]=3 41 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.30 CCOP(O)(=O)OCC HMDB0012209 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,0,0,1,0,0|0,0,2]=3 45 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,0,0,1,0,0|2,0,1]=4 49 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,0]=2 51 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,0]=2 52 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|0,0,2]=4 53 B5R0.1 CC(=O)OC=C HMDB0031209 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,2]=4 56 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|0,0,0]=2 58 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|0,1,0]=3 61 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 OC(=O)CC=O HMDB0011111 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.2 CC/C=C\CO HMDB0031604 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.2 C[Se]S/C=C/C HMDB0030880 [2,0,0,0,0,0|1,1,0]=4 67 B5R0.3 CCC(=O)C=C HMDB0031607 [2,0,0,0,0,0|0,0,0]=2 68 B5R0.3 CCC(=O)CO HMDB0031507 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.3 CCC(=O)OC HMDB0030062 [2,0,0,0,0,0|0,0,1]=3 70 B5R0.3 CCC(=O)SC HMDB0031192 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.3 CCC(O)C=C HMDB0031605 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.3 CNC(=O)NC HMDB0029198 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 COC(=O)OC HMDB0029580 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,1,0,0,0,0|0,0,1]=3 77 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,1,0,0,0,0|0,0,1]=3 81 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,1,0,0,0,0|0,0,2]=4 82 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|0,0,2]=4 83 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|0,0,2]=4 84 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|0,0,1]=3 85 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,1,0,0,0,0|0,0,2]=4 86 B7R0.3 COC(=O)CCSC HMDB0034377 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,1,0,0,0,0|0,0,1]=3 90 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,1,0,0,0,0|0,0,1]=3 91 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,1,0,0,0,0|0,0,0]=2 92 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|0,0,2]=4 94 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.1 C/C=C\C/C=C/CO HMDB0040339 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.1 CC/C=C/C=C/CO HMDB0032301 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|1,0,0]=3 100 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|2,0,0]=4 101 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,2,0,0,0,0|0,0,0]=2 103 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [0,2,0,0,0,0|0,0,0]=2 106 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,2,0,0,0,0|0,0,0]=2 107 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,2,0,0,0,0|0,0,2]=4 108 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.8 C/C=C(/C)C(=O)OCC=C HMDB0037625 [0,2,0,0,0,0|0,0,1]=3 110 B9R0.8 CSCCC(=O)C(/O)=C/O HMDB0012134 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,2,0,0,0,0|0,0,2]=4 113 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,2,0,0,0,0|0,0,2]=4 114 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,2,0,0,0,0|0,0,0]=2 115 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,2,0,0,0,0|0,0,0]=2 116 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,2,0,0,0,0|0,0,2]=4 118 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,2,0,0,0,0|0,0,0]=2 119 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,2,0,0,0,0|0,0,2]=4 121 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,2,0,0,0,0|0,0,1]=3 122 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.19 CCOC(=O)C(C)(O)CC HMDB0032269 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.23 C/C=C(/C)C(=O)OC(C)C HMDB0037624 [0,2,0,0,0,0|0,0,0]=2 125 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,2,0,0,0,0|2,0,0]=4 127 B9R0.37 CCOC(=O)C(CC)CC HMDB0040298 [0,2,0,0,0,0|0,0,2]=4 128 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,2,0,0,0,0|0,1,0]=3 130 B9R0.15 CCC/C(=C\CC)C(O)=O HMDB0013902 [0,2,0,0,0,0|1,0,1]=4 131 B9R0.15 CCCC(/C=C/C)C(O)=O HMDB0013904 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.15 CCCC(/C=C\C)C(O)=O HMDB0013903 [0,2,0,0,0,0|1,0,1]=4 133 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,1,0,0|0,0,0]=2 134 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|0,0,2]=4 135 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,1,0,0|0,0,0]=2 136 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.3 O=C1CCCCC1 HMDB0003315 [1,0,0,1,0,0|0,0,2]=4 140 B7R1.3 O=C1CCCCN1 HMDB0011749 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.4 NC1CCOC1=O HMDB0029387 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,1,0,1,0,0|0,0,0]=2 144 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,1,0,1,0,0|0,0,0]=2 147 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,1,0,1,0,0|0,0,2]=4