0 B6R0.3 C/C(=N\O)C(O)=O HMDB0002455 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,0,0,0,0,0|1,0,1]=2 8 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.3 CCC(C)C(O)S HMDB0032373 [0,0,0,0,0,0|0,1,1]=2 10 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [0,0,0,0,0,0|1,0,1]=2 15 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|0,0,2]=3 35 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|0,0,0]=1 40 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|1,0,0]=2 48 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.3 CCC(=O)C=C HMDB0031607 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 CCC(=O)CO HMDB0031507 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.3 CCC(C)CN HMDB0032392 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.3 CCC(C)CO HMDB0031527 [1,0,0,0,0,0|0,0,1]=2 58 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|0,0,0]=1 60 B5R0.3 COC(C)OC HMDB0030061 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 OCC(O)C=O HMDB0001051 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.3 OCC(O)CCl HMDB0031334 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 OCC(O)CO HMDB0000131 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,0,0,0,0,0|0,0,0]=1 68 B5R0.5 CC(O)C(C)O HMDB0003156 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,0,0,0,0,0|1,0,0]=2 73 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,0,0,0,0,0|1,0,0]=2 74 B5R0.5 OC(=O)C(O)=O HMDB0002329 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,1,0,0,0,0|0,0,1]=2 76 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,1,0,0,0,0|0,0,1]=2 77 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|0,0,1]=2 78 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|0,0,2]=3 89 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [0,1,0,0,0,0|1,0,1]=3 91 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|0,0,0]=1 97 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.13 CC(O)(CO)C(O)=O HMDB0002601 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,1,0,0,0,0|0,0,0]=1 100 B7R0.13 CNC(C)(C)C(O)=O HMDB0002141 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,1,0,0,0,0|0,0,0]=1 102 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,1,0,0,0,0|0,0,0]=1 103 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,1,0,0,0,0|0,0,1]=2 105 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [0,1,0,0,0,0|0,0,2]=3 106 B7R0.16 CC(C(O)=O)C(O)=O HMDB0000202 [0,1,0,0,0,0|1,0,1]=3 107 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,0,0|0,0,0]=1 111 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,0,0|0,0,0]=1 112 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,0,0|0,0,0]=1 114 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,0,0|0,0,0]=1 115 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,0,0|1,0,0]=2 117 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.4 NC1CCOC1=O HMDB0029387 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.4 NC1CCSC1=O HMDB0002287 [0,0,0,1,0,0|1,1,0]=3 121 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|1,0,0]=2 122 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,0,0,0,0,1|1,0,0]=2 123 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,0,0,0,0,1|0,0,0]=1 124 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,0,0,0,0,1|1,0,0]=2 125 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,0,0,0,0,1|2,0,0]=3 126 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,0,0,0,0,1|2,0,0]=3 127 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|1,0,1]=4 130 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,0,0]=2 132 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|0,0,1]=3 133 B4R0.1 CC(C)CS HMDB0031245 [2,0,0,0,0,0|0,1,1]=4 134 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(O)CN HMDB0012136 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.1 CC(S)CS HMDB0031631 [2,0,0,0,0,0|1,1,0]=4 138 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,0,1]=3 139 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|1,0,0]=3 140 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,0,0]=2 141 B4R0.1 CN(C)N=O HMDB0031419 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 C[C@@H](O)C=O HMDB0006458 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 C[C@H](O)C=O HMDB0003052 [2,0,0,0,0,0|1,0,0]=3 146 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,0,0]=3 147 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|1,0,0]=3 148 B4R0.1 OC(=O)C#C HMDB0006804 [2,0,0,0,0,0|0,0,2]=4 149 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,2]=4 150 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|1,0,1]=4 151 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,0]=2 154 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 156 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,1]=3 157 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,1]=4 158 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 163 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 166 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|0,0,2]=4 167 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|1,0,0]=3 172 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,0]=2 173 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,1,0]=3 174 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,1,0,0,0,0|0,0,1]=3 182 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,1,0,0,0,0|0,0,2]=4 183 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|1,0,0]=3 184 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|0,0,0]=2 185 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|0,0,0]=2 187 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|0,0,0]=2 188 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|0,0,0]=2 191 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|0,0,0]=2 192 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,1,0,0,0,0|0,0,1]=3 194 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,0,0]=2 196 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|0,0,0]=2 197 B6R0.4 CCOCC(O)=O HMDB0031212 [1,1,0,0,0,0|0,0,0]=2 198 B6R0.4 CSCCC(C)=O HMDB0031316 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 CSCCC(O)=O HMDB0001527 [1,1,0,0,0,0|0,0,0]=2 200 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|0,0,0]=2 201 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,1,0,0,0,0|0,0,1]=3 202 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,1,0,0,0,0|0,0,1]=3 203 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,1,0,0,0,0|0,0,2]=4 204 B6R0.4 OCCCC(O)=O HMDB0000710 [1,1,0,0,0,0|0,0,0]=2 205 B6R0.5 CCOP(O)(O)=O HMDB0012228 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.5 NCCP(O)(O)=O HMDB0011747 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.5 NCCS(O)(=O)=O HMDB0000251 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.5 OS(=O)(=O)CCS HMDB0003745 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|0,0,0]=2 212 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [1,1,0,0,0,0|0,0,0]=2 213 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [1,1,0,0,0,0|0,0,0]=2 214 B6R0.7 OC(=O)C(Cl)(Cl)Cl HMDB0042048 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.7 OC(=O)C(F)(F)F HMDB0014118 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,1,0,0,0,1|1,0,1]=4 217 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,1,0,0,0,1|0,0,0]=2 218 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,1,0,0,0,1|1,0,0]=3 219 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,1,0,0,0,1|0,0,0]=2 220 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,1,0,0,0,1|0,0,0]=2 221 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,1,0,0,0,1|2,0,0]=4 222 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,1,0,0,0,1|1,0,1]=4 225 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,1,0,0,0,1|1,0,1]=4 226 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,0,0,0,1|1,0,0]=3 227 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,1|1,0,0]=3 229 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,1,0,0,0,1|1,0,0]=3 230 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,1,0,0,0,1|2,0,0]=4 231 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,1,0,0,0,1|1,0,0]=3 232 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,1,0,0,0,1|1,0,0]=3 233 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,1,0,0,0,1|1,0,1]=4 234 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [0,2,0,0,0,0|0,0,2]=4 235 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,0,0]=2 236 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,2,0,0,0,0|0,0,2]=4 237 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [0,2,0,0,0,0|0,0,0]=2 238 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|1,0,1]=4 239 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,2,0,0,0,0|1,0,0]=3 242 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|1,0,1]=4 244 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,2,0,0,0,0|1,0,0]=3 246 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,2,0,0,0,0|1,0,0]=3 251 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,2,0,0,0,0|1,0,0]=3 253 B8R0.14 N[C@@H](CCS)S(O)(=O)=O HMDB0002238 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.20 CCC(SC)C(=O)OC HMDB0041306 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.36 CCC(O)(CC)C(O)=O HMDB0001975 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.37 CC(=O)C(C)(O)C(O)=O HMDB0006833 [0,2,0,0,0,0|0,0,1]=3 257 B8R0.37 CC(=O)[C@](C)(O)C(O)=O HMDB0006855 [0,2,0,0,0,0|0,0,1]=3 258 B8R0.37 CC(C)(C(O)=O)C(O)=O HMDB0002001 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,2,0,0,0,0|0,0,0]=2 260 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.18 CCC(C(O)=O)C(O)=O HMDB0000622 [0,2,0,0,0,0|0,0,1]=3 262 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 264 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,0,0]=2 265 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,1,0]=3 266 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|0,0,2]=4 269 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,0,0,1,0,1|1,0,0]=3 270 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,1|1,0,1]=4 271 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,0,0,1,0,1|1,0,0]=3 272 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,1,0,1|1,0,1]=4 273 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,1,0,1,0,0|0,0,1]=3 277 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|0,0,0]=2 279 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|0,0,0]=2 280 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [0,1,0,1,0,0|0,0,2]=4 281 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|1,0,1]=4 282 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|0,0,1]=3 283 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|1,0,0]=3 285 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,0,0,0,0,2|1,0,1]=4