0 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,0,0|0,1,1]=2 6 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,0,0,0,0,0|1,1,2]=4 7 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,0,0,0,0,0|1,1,1]=3 8 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,0,0,0,0,0|1,1,0]=2 11 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,0,0,0,0,0|2,1,1]=4 15 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,0,0,0,0,0|2,1,1]=4 28 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,0,0,0,0,0|2,1,1]=4 29 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,0,0,0,0,0|2,1,0]=3 30 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,0,0,0,0,0|2,1,1]=4 31 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,0,0,0,0,0|2,1,0]=3 32 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,0,0,0,0,0|2,1,0]=3 33 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,0,0,0,0,0|2,1,0]=3 34 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.1 CC(=O)OC=C HMDB0031209 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|0,1,2]=4 61 B5R0.3 CCC(=O)OC HMDB0030062 [1,0,0,0,0,0|1,1,1]=4 62 B5R0.3 CCC(=O)SC HMDB0031192 [1,0,0,0,0,0|1,1,1]=4 63 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|1,0,0]=2 64 B5R0.3 CCC(C)CN HMDB0032392 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 CCC(C)CO HMDB0031527 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|0,1,1]=3 67 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.3 COC(C)OC HMDB0030061 [1,0,0,0,0,0|3,0,0]=4 69 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,0,0,0,0|1,1,0]=3 70 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,0,0,0,0,0|1,0,1]=3 71 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,0,0,0,0,0|0,1,1]=3 72 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,0,0,0,0,0|1,1,1]=4 73 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.5 CC(O)C(C)O HMDB0003156 [1,0,0,0,0,0|0,1,2]=4 75 B5R0.5 CC(S)C(C)S HMDB0031157 [1,0,0,0,0,0|0,1,1]=3 76 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,0,0,0,0,0|1,1,0]=3 79 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,0,0,0,0,0|1,1,0]=3 81 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|0,1,1]=3 85 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|1,1,1]=4 86 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,1,0,0,0,0|1,1,0]=3 88 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|1,1,1]=4 99 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,1,0,0,0,0|1,1,0]=3 100 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|0,1,1]=3 101 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,1,0,0,0,0|1,1,0]=3 103 B7R0.13 CC(O)(CO)C(O)=O HMDB0002601 [0,1,0,0,0,0|2,1,0]=4 104 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,1,0,0,0,0|1,1,0]=3 105 B7R0.13 CNC(C)(C)C(O)=O HMDB0002141 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,1,0,0,0,0|1,1,0]=3 108 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|0,1,1]=3 112 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|1,1,1]=4 113 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,0|1,1,0]=3 114 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,0,0|1,1,0]=3 117 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,0,0|1,1,0]=3 120 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|1,0,2]=4 122 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.4 NC1CCSC1=O HMDB0002287 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|2,0,0]=3 125 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,0,0,0,0,1|3,0,0]=4 126 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,0,0,0,0,1|2,0,0]=3 127 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,0,0,0,0,1|1,1,0]=3 128 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,0,0,0,0,1|1,1,1]=4 129 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,0,0,0,0,1|2,0,0]=3 130 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,0,0,0,0,1|2,1,0]=4 131 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|0,1,1]=4 132 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 133 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|0,1,0]=3 134 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|0,0,0]=2 135 B4R0.1 CC(=O)OO HMDB0031608 [2,0,0,0,0,0|1,1,0]=4 136 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 CC(C)CS HMDB0031245 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 CC(O)CN HMDB0012136 [2,0,0,0,0,0|1,1,0]=4 142 B4R0.1 CC(S)CS HMDB0031631 [2,0,0,0,0,0|1,0,0]=3 143 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,0]=2 144 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,1,0]=3 146 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|1,0,0]=3 148 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|0,1,0]=3 149 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|0,1,0]=3 150 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,1,0]=4 151 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|1,1,0]=4 154 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,0]=2 155 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 156 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 157 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,2]=4 158 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,1]=4 159 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.2 CSCSC HMDB0031317 [2,0,0,0,0,0|2,0,0]=4 168 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|0,0,2]=4 171 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 172 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,0]=3 174 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|0,0,1]=3 175 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|0,0,0]=2 176 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,0]=2 177 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,0,0]=2 178 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,0,1]=3 179 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|0,0,2]=4 180 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|1,0,0]=3 181 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,0]=3 182 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|0,0,1]=3 184 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|0,0,1]=3 186 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,1,0,0,0,0|1,0,1]=4 188 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,1,0,0,0,0|0,0,2]=4 189 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|0,0,0]=2 190 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|1,0,0]=3 192 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|0,0,0]=2 195 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,0,0]=2 200 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|0,0,0]=2 204 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|1,0,0]=3 205 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [1,1,0,0,0,0|2,0,0]=4 213 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,1,0,0,0,1|2,0,0]=4 214 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,1,0,0,0,1|1,1,0]=4 215 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,1,0,0,0,1|2,0,0]=4 216 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,1,0,0,0,1|2,0,0]=4 217 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,0,0,0,1|1,0,0]=3 218 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,1,0,0,0,1|0,1,1]=4 219 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,1,0,0,0,1|0,1,1]=4 220 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,1|1,0,0]=3 221 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,1,0,0,0,1|1,1,0]=4 222 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,1,0,0,0,1|1,1,0]=4 223 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,1,0,0,0,1|2,0,0]=4 225 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|0,1,1]=4 227 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|1,0,0]=3 228 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|0,1,1]=4 231 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,2,0,0,0,0|1,1,0]=4 233 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|1,1,0]=4 235 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [0,2,0,0,0,0|0,0,0]=2 243 B8R0.36 CCC(O)(CC)C(O)=O HMDB0001975 [0,2,0,0,0,0|1,1,0]=4 244 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,2,0,0,0,0|1,1,0]=4 245 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,2,0,0,0,0|1,1,0]=4 246 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,2,0,0,0,0|1,1,0]=4 247 B6R1.2 CC1=NCCS1 HMDB0029555 [1,0,0,1,0,0|1,1,0]=4 248 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,1]=4 249 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,0,0]=2 250 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 251 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|1,0,0]=3 252 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|1,0,0]=3 253 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|1,0,0]=3 254 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [0,0,0,1,0,1|1,0,1]=4 256 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,0,0,1,0,1|1,0,0]=3 257 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,1|1,0,1]=4 258 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,0,0,1,0,1|1,0,0]=3 259 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,1,0,1|1,0,1]=4 260 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,0,0,1,0,1|0,0,2]=4 261 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|0,1,1]=4 264 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.11 CCC1=C(C)N=CS1 HMDB0029732 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|0,1,1]=4 272 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,1,0]=4 273 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,1,0]=4 274 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,0,0,0,0,2|1,1,0]=4