0 B5R0.1 C/C=C/C(C)=O HMDB0001184 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C/C=C/C(O)=O HMDB0010720 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C/C=C\C(O)=O HMDB0034439 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CC(=C)CCO HMDB0030126 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(=O)CC=C HMDB0031606 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(=O)OC=C HMDB0031209 [0,0,0,0,0,0|0,1,2]=3 6 B5R0.1 CC(C)=CC=O HMDB0012157 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(C)=CCO HMDB0030124 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CC(C)=CCS HMDB0031529 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CC(C)CCN HMDB0031659 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(C)CCO HMDB0006007 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(O)CCO HMDB0031320 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CCCC(O)=O HMDB0000039 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCNC(C)=O HMDB0031215 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CCOC(C)=O HMDB0031217 [0,0,0,0,0,0|0,1,0]=1 15 B5R0.1 CCOC(N)=O HMDB0031219 [0,0,0,0,0,0|1,1,0]=2 16 B5R0.1 CCOC(O)=O HMDB0031232 [0,0,0,0,0,0|1,1,0]=2 17 B5R0.1 CCSC(C)=O HMDB0031190 [0,0,0,0,0,0|0,0,0]=0 18 B5R0.1 CN(C)CCO HMDB0032231 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 CNCC(O)=O HMDB0000271 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 COCC(O)=O HMDB0041929 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 NCCC(O)=O HMDB0000056 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 NCCS(O)=O HMDB0000965 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 OC(=O)CC=O HMDB0011111 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 OC(=O)CCI HMDB0031252 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.1 OCCC(O)=O HMDB0000700 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.1 CC(=C)C=C HMDB0032344 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(=O)CN HMDB0002134 [1,0,0,0,0,0|1,0,0]=2 29 B4R0.1 CC(=O)CO HMDB0006961 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 CC(=O)CS HMDB0030025 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 CC(=O)OO HMDB0031608 [1,0,0,0,0,0|1,1,0]=3 32 B4R0.1 CC(C)CO HMDB0006006 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(C)CS HMDB0031245 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(Cl)CO HMDB0031335 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(O)CN HMDB0012136 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 CC(S)CS HMDB0031631 [1,0,0,0,0,0|1,1,1]=4 38 B4R0.1 CCC(C)=O HMDB0000474 [1,0,0,0,0,0|0,0,0]=1 39 B4R0.1 CCC(C)N HMDB0032179 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CCC(C)O HMDB0011469 [1,0,0,0,0,0|0,0,2]=3 41 B4R0.1 CNC(N)=N HMDB0001522 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 COC(C)=O HMDB0031523 [1,0,0,0,0,0|0,1,0]=2 43 B4R0.1 CSC(C)=O HMDB0031189 [1,0,0,0,0,0|0,0,0]=1 44 B4R0.1 C[C@H](O)CO HMDB0006213 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 NC(=O)C=C HMDB0004296 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 NC(=O)C=C HMDB0032161 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 NCC(O)=O HMDB0000123 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 OC(=O)C#C HMDB0006804 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 OC(=O)C=C HMDB0031647 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 OC(=O)C=O HMDB0000119 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 OC(=O)CCl HMDB0031331 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 OCC(O)=O HMDB0000115 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 C/C=C/SO HMDB0031636 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.2 CCCC=O HMDB0003543 [1,0,0,0,0,0|1,0,0]=2 55 B4R0.2 CCCCC HMDB0029603 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.2 CCCCN HMDB0031321 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 CCCCO HMDB0004327 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.2 CCCCS HMDB0031322 [1,0,0,0,0,0|1,1,1]=4 59 B4R0.2 CCCSO HMDB0030299 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 CCNCC HMDB0041878 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.2 CCOC=O HMDB0031229 [1,0,0,0,0,0|0,1,0]=2 62 B4R0.2 CCON=O HMDB0031239 [1,0,0,0,0,0|1,1,0]=3 63 B4R0.2 CCSCC HMDB0031666 [1,0,0,0,0,0|0,0,1]=2 64 B4R0.2 CSCC=C HMDB0031653 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 CSCC=O HMDB0031718 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 CSCCO HMDB0032425 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.2 CSCSC HMDB0031317 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.2 CSSSC HMDB0013780 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 CS[Se]SC HMDB0030876 [1,0,0,0,0,0|2,1,0]=4 70 B4R0.2 C[Se]CC=C HMDB0030878 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 ClC/C=C/Cl HMDB0013592 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 NCCC=O HMDB0001106 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 O=CCC#C HMDB0006853 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.2 O=CCC=O HMDB0006112 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 OCCC=C HMDB0031324 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 OCCC=O HMDB0003453 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.1 CCCC(=O)CC HMDB0000753 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.1 CCCC(=O)OC HMDB0033890 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.1 CCCC(=O)SC HMDB0031191 [0,1,0,0,0,0|1,0,0]=2 81 B6R0.1 CCCC(C)C=O HMDB0031578 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.1 CCCC(O)CC HMDB0031493 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.1 CCOC(=O)CC HMDB0030058 [0,1,0,0,0,0|0,1,0]=2 84 B6R0.1 CCOC(C)CC HMDB0031326 [0,1,0,0,0,0|1,1,1]=4 85 B6R0.1 COC(=O)CSC HMDB0035646 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.1 CSC/C(C)=C/C HMDB0032411 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,1,0,0,0,0|0,1,1]=3 89 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,1,0,0,0,0|0,1,1]=3 92 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,1,0,0,0,0|0,1,0]=2 97 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.3 CC(CN)C(O)=O HMDB0003911 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [0,1,0,0,0,0|2,0,0]=3 108 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 CCC(=O)C(C)C HMDB0005846 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.3 CCC(C)C(O)=O HMDB0002176 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CCC(O)C(O)=O HMDB0000008 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 COC(=O)C(C)=C HMDB0032385 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.3 OC(CS)C(O)=O HMDB0002127 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.3 OCC(O)C(O)=O HMDB0031818 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 CCCCC(C)=O HMDB0005842 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.4 CCCCC(O)=O HMDB0000892 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.4 CCNCC(O)=O HMDB0041945 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.4 CCOCC(O)=O HMDB0031212 [0,1,0,0,0,0|1,1,0]=3 138 B6R0.4 CSCCC(C)=O HMDB0031316 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.4 CSCCC(O)=O HMDB0001527 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 NCCCC(O)=O HMDB0000112 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.4 OCCCC(O)=O HMDB0000710 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.5 CCOP(O)(O)=O HMDB0012228 [0,1,0,0,0,0|2,1,0]=4 148 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [0,1,0,0,0,0|2,1,0]=4 149 B6R1.2 CC1=NCCS1 HMDB0029555 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.2 CC1CCCC1 HMDB0031542 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 CC1NCCS1 HMDB0031682 [0,0,0,1,0,0|1,0,1]=3 152 B6R1.2 O=C1CCCC1 HMDB0031407 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 O=C1CCCN1 HMDB0002039 [0,0,0,1,0,0|1,0,0]=2 154 B6R1.2 O=C1CCCO1 HMDB0000549 [0,0,0,1,0,0|0,1,0]=2 155 B6R1.2 O=C1CCCS1 HMDB0031253 [0,0,0,1,0,0|0,0,0]=1 156 B6R1.2 O=C1CCOC1 HMDB0002523 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 O=C1CCSC1 HMDB0031242 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 O=C1CN=CN1 HMDB0004363 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.2 O=C1OCC=C1 HMDB0032330 [0,0,0,1,0,0|0,1,2]=4 160 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 161 B3R0.1 C/C=N/O HMDB0003656 [2,0,0,0,0,0|2,0,0]=4 162 B3R0.1 CCC=O HMDB0003366 [2,0,0,0,0,0|0,0,0]=2 163 B3R0.1 CCCO HMDB0000820 [2,0,0,0,0,0|0,0,2]=4 164 B3R0.1 CCSC HMDB0031238 [2,0,0,0,0,0|0,0,0]=2 165 B3R0.1 CNC=O HMDB0001122 [2,0,0,0,0,0|1,0,0]=3 166 B3R0.1 COCCl HMDB0031332 [2,0,0,0,0,0|1,1,0]=4 167 B3R0.1 COOC HMDB0031430 [2,0,0,0,0,0|1,1,0]=4 168 B3R0.1 CSCS HMDB0032428 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.1 CSSC HMDB0005879 [2,0,0,0,0,0|1,0,0]=3 170 B3R0.1 CS[Se]C HMDB0030879 [2,0,0,0,0,0|1,0,0]=3 171 B3R0.1 O=CC#C HMDB0006803 [2,0,0,0,0,0|0,0,2]=4 172 B3R0.1 OCC=C HMDB0031652 [2,0,0,0,0,0|1,0,1]=4 173 B3R0.1 OCC=O HMDB0003344 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.1 SCC=C HMDB0031635 [2,0,0,0,0,0|1,0,1]=4 175 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,0]=2 176 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,2]=4 177 B3R0.2 CC(C)S HMDB0031634 [2,0,0,0,0,0|0,1,1]=4 178 B3R0.2 CC(N)=O HMDB0031645 [2,0,0,0,0,0|1,0,0]=3 179 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|0,1,0]=3 180 B3R0.2 CC(S)=O HMDB0031188 [2,0,0,0,0,0|0,0,0]=2 181 B3R0.2 CC(S)S HMDB0032253 [2,0,0,0,0,0|0,1,1]=4 182 B3R0.2 C[As](C)O HMDB0012216 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.2 C[S+](C)C HMDB0012295 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.2 C[Se+](C)C HMDB0042052 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.2 NC(N)=O HMDB0000294 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.2 NC(O)=O HMDB0003551 [2,0,0,0,0,0|1,1,0]=4 187 B3R0.2 OC(O)=O HMDB0003538 [2,0,0,0,0,0|1,1,0]=4 188 B3R0.2 OC([O-])=O HMDB0000595 [2,0,0,0,0,0|1,1,0]=4 189 B3R0.2 [O-]C([O-])=O HMDB0031453 [2,0,0,0,0,0|1,1,0]=4 190 B5R0.3 C/C=C(/C)C=O HMDB0031512 [1,1,0,0,0,0|0,0,1]=3 191 B5R0.3 CCC(=O)C=C HMDB0031607 [1,1,0,0,0,0|0,0,1]=3 192 B5R0.3 CCC(=O)CO HMDB0031507 [1,1,0,0,0,0|0,0,0]=2 193 B5R0.3 CCC(=O)OC HMDB0030062 [1,1,0,0,0,0|0,0,0]=2 194 B5R0.3 CCC(=O)SC HMDB0031192 [1,1,0,0,0,0|0,0,0]=2 195 B5R0.3 CCC(C)C=O HMDB0031526 [1,1,0,0,0,0|0,0,1]=3 196 B5R0.3 CCC(C)CN HMDB0032392 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.3 CCC(C)CO HMDB0031527 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,1,0,0,0,0|0,0,1]=3 199 B5R0.3 CNC(=O)NC HMDB0029198 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.3 COC(=O)OC HMDB0029580 [1,1,0,0,0,0|0,1,0]=3 201 B5R0.3 OCC(=O)CO HMDB0001882 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.4 CSS(C)(=O)=O HMDB0031832 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.5 CC(=C)C(C)=O HMDB0031530 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.5 CC(=O)C(C)=O HMDB0003407 [1,1,0,0,0,0|0,0,1]=3 205 B5R0.5 CC(=O)C(O)=O HMDB0000243 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,1,0,0,0,0|1,0,0]=3 207 B5R0.5 CC(O)C(C)O HMDB0003156 [1,1,0,0,0,0|0,0,2]=4 208 B5R0.5 CC(S)C(C)S HMDB0031157 [1,1,0,0,0,0|0,1,1]=4 209 B5R0.5 CC(S)C(O)=O HMDB0031520 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [1,1,0,0,0,0|1,0,0]=3 214 B5R0.2 C=CCCC=O HMDB0032458 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.2 CC/C=C\C=O HMDB0031601 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.2 CC/C=C\CO HMDB0031604 [1,1,0,0,0,0|1,0,0]=3 217 B5R0.2 CCCCC=O HMDB0031206 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.2 CCCCCC HMDB0029600 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 CCCCCO HMDB0013036 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 CCCCCS HMDB0032457 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 CCCSSC HMDB0031872 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.2 CCOCCO HMDB0031213 [1,1,0,0,0,0|0,1,1]=4 223 B5R0.2 CCSSCC HMDB0029572 [1,1,0,0,0,0|0,0,1]=3 224 B5R0.2 CSCCC=O HMDB0031857 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.2 CSCCCO HMDB0031716 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.2 CSCCSC HMDB0031708 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.2 CSCSSC HMDB0031875 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.2 C[Se]S/C=C/C HMDB0030880 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.2 C[Se]SCC=C HMDB0030877 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.2 NCCCC=O HMDB0001080 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [0,2,0,0,0,0|0,1,0]=3 234 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.2 COC(=O)CC(C)C HMDB0030027 [0,2,0,0,0,0|1,0,0]=3 238 B7R0.2 COC(=O)CC(C)O HMDB0041603 [0,2,0,0,0,0|1,0,0]=3 239 B7R0.2 COC(=O)CC(C)S HMDB0032409 [0,2,0,0,0,0|1,0,0]=3 240 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,2,0,0,0,0|0,1,1]=4 243 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,2,0,0,0,0|1,0,0]=3 244 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,2,0,0,0,0|0,1,0]=3 246 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,2,0,0,0,0|1,0,1]=4 247 B7R0.3 COC(=O)CCSC HMDB0034377 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,2,0,0,0,0|0,1,0]=3 255 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,2,0,0,0,0|0,1,0]=3 256 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,2,0,0,0,0|0,1,1]=4 257 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.7 CCCC(=O)OCC HMDB0033889 [0,2,0,0,0,0|0,1,0]=3 269 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [0,2,0,0,0,0|0,1,0]=3 271 B7R0.7 CCOC(=O)CSC HMDB0040263 [0,2,0,0,0,0|0,1,0]=3 272 B7R0.7 CCSC(C)CCO HMDB0032277 [0,2,0,0,0,0|0,0,2]=4 273 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.10 OC[C@H](O)C(=O)CO HMDB0006293 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.15 CCC(CO)C(O)=O HMDB0000396 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,2,0,0,0,0|1,0,0]=3 295 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,2,0,0,0,0|1,0,0]=3 296 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,2,0,0,0,0|0,1,0]=3 301 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,2,0,0,0,0|2,0,0]=4 309 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,2,0,0,0,0|0,1,0]=3 312 B7R0.6 CC(C)SSC(C)C HMDB0029578 [0,2,0,0,0,0|1,0,1]=4 313 B5R1.1 C1CC=NC1 HMDB0012497 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.1 C1CCNC1 HMDB0031641 [1,0,0,1,0,0|1,0,1]=4 315 B5R1.1 C1CCOC1 HMDB0000246 [1,0,0,1,0,0|0,1,1]=4 316 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,1,0,1,0,0|0,1,0]=3 319 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,1,0,1,0,0|0,1,1]=4 320 B7R1.2 CC1SSC(C)S1 HMDB0031470 [0,1,0,1,0,0|0,1,1]=4 321 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,1,0,1,0,0|0,1,1]=4 322 B7R1.3 CC1=CCCC=C1 HMDB0032395 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,1,0,1,0,0|1,0,0]=3 324 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.4 CC1=CCCC1=O HMDB0031545 [0,1,0,1,0,0|1,0,0]=3 326 B7R1.4 NC1CCOC1=O HMDB0029387 [0,1,0,1,0,0|0,1,0]=3 327 B7R1.4 NC1CCSC1=O HMDB0002287 [0,1,0,1,0,0|0,0,0]=2 328 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,1,0,1,0,0|2,0,0]=4