0 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,0,0|0,0,0]=0 8 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|0,0,2]=3 19 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,2]=3 23 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 CC(C)=CC=O HMDB0012157 [1,0,0,0,0,0|0,0,2]=3 25 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,0|1,0,1]=3 50 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,1,0,0,0,0|0,0,0]=1 51 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|0,0,0]=1 54 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,0,0|0,0,0]=1 56 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,0,0|0,0,0]=1 57 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.9 C[N+](C)(C)CC([O-])=O HMDB0000043 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|0,0,1]=2 65 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,0,0|2,0,0]=3 74 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|0,0,2]=3 76 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,0|2,0,1]=4 80 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,1,0|0,0,2]=3 81 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,1,0|1,0,1]=3 82 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,0,0,0,1,0|2,0,1]=4 83 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,1,0|1,0,0]=2 84 B5R0.5 CC(O)C(C)O HMDB0003156 [0,0,0,0,1,0|1,0,2]=4 85 B5R0.5 CC(S)C(C)S HMDB0031157 [0,0,0,0,1,0|1,1,1]=4 86 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,1,0|2,0,0]=3 87 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,1,0|2,0,0]=3 88 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,1,0|2,0,0]=3 89 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,1,0|2,0,0]=3 90 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,1,0|2,0,0]=3 91 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,1|0,0,2]=3 92 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,1|2,0,1]=4 93 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,1|2,0,1]=4 94 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,1|0,0,1]=2 95 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,1|1,0,1]=3 96 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,1|0,0,0]=1 97 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,1|1,0,0]=2 98 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,1|0,0,0]=1 99 B7R0.6 CC(C)SSC(C)C HMDB0029578 [0,0,0,0,0,1|2,0,1]=4 100 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,0]=3 104 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,0,0]=2 106 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|0,0,1]=3 107 B4R0.1 CC(C)CS HMDB0031245 [2,0,0,0,0,0|0,1,0]=3 108 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 CC(O)CN HMDB0012136 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 CC(S)CS HMDB0031631 [2,0,0,0,0,0|1,1,0]=4 112 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,0]=2 113 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 CN(C)N=O HMDB0031419 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,0]=2 125 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 126 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,2]=4 128 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,1]=4 129 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 136 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|0,0,2]=4 141 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.1 CC(CC=C)C=O HMDB0030332 [1,1,0,0,0,0|0,0,2]=4 145 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|0,0,1]=3 146 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|0,0,0]=2 147 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,0]=2 148 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,0,1]=3 150 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,0]=3 154 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.3 CC(CN)C(O)=O HMDB0003911 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|0,0,1]=3 158 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,1,0,0,0,0|0,0,2]=4 159 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.3 OC(CS)C(O)=O HMDB0002127 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,1,0,0,0,0|0,0,1]=3 181 B6R0.4 CC(C)CCC=O HMDB0001318 [1,1,0,0,0,0|0,0,0]=2 182 B6R0.4 CC(C)CN=C=S HMDB0032345 [1,1,0,0,0,0|0,1,1]=4 183 B6R0.4 CC(C)COC=O HMDB0031247 [1,1,0,0,0,0|0,0,0]=2 184 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,0]=2 190 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.5 C[N+](C)(C)CC=O HMDB0001252 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,1,0,0,1,0|1,0,0]=3 198 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,1,0,0,1,0|1,0,0]=3 199 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,1|0,0,1]=3 200 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,1,0,0,0,1|1,0,0]=3 201 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,1,0,0,0,1|0,0,2]=4 202 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,1|0,0,0]=2 203 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,1|1,0,1]=4 204 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,1|0,0,0]=2 205 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,1|1,0,0]=3 206 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,1,0,0,0,1|1,0,0]=3 207 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,1,0,0,0,1|1,0,0]=3 208 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,1,0,0,0,1|1,0,0]=3 209 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,1,0,0,0,1|1,0,0]=3 210 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,1,0,0,0,1|1,0,0]=3 211 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.2 CCC(C)C(C)C(C)C HMDB0030302 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,2,0,0,0,0|1,0,0]=3 215 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,2,0,0,0,0|2,0,0]=4 217 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|0,0,2]=4 221 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,0]=3 222 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,1]=4 223 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,2,0,0,0,0|1,0,0]=3 226 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,2,0,0,0,0|2,0,0]=4 228 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,2,0,0,0,0|0,0,0]=2 229 B8R0.16 OCC(CC)CC(C)C HMDB0013818 [0,2,0,0,0,0|0,0,2]=4 230 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|0,0,0]=2 231 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.27 CC(C)C(C)C(C)(C)C HMDB0030301 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,2,0,0,0,0|2,0,0]=4 234 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,1,0,0|1,1,0]=4 235 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|0,0,1]=3 236 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|0,0,1]=3 237 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,0]=2 238 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 239 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|1,0,0]=3 240 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,0]=3 242 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,1|0,0,0]=2 244 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|0,0,2]=4 248 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,1,0,1,0,0|0,1,1]=4 249 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|0,0,1]=3 250 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|2,0,0]=4 252 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,0,0,0,0,2|0,0,2]=4 253 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,0,0,0,2|1,0,1]=4 254 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,2|0,0,2]=4 255 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,2|0,0,1]=3 256 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,2|0,0,1]=3 257 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,2|0,0,1]=3 258 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,0,0,0,2|0,0,0]=2 259 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,0,0,0,2|1,0,0]=3 260 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,2|0,0,0]=2 261 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,0,0,0,0,2|2,0,0]=4 262 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,0,0,0,0,2|2,0,0]=4 263 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,0,0,0,0,2|2,0,0]=4