0 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.4 CCCCC(C)=O HMDB0005842 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.4 CCCCC(O)=O HMDB0000892 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.4 CCNCC(O)=O HMDB0041945 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.4 CCOCC(O)=O HMDB0031212 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.4 CSCCC(C)=O HMDB0031316 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CSCCC(O)=O HMDB0001527 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.4 NCCCC(O)=O HMDB0000112 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,0,0,0,0,0|0,0,2]=2 10 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,0,0,0,0,0|1,0,1]=2 11 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.4 OCCCC(O)=O HMDB0000710 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.1 C/C=C/C(C)=O HMDB0001184 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|0,0,0]=1 20 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CNCC(O)=O HMDB0000271 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 COCC(O)=O HMDB0041929 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 NCCC(O)=O HMDB0000056 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 NCCS(O)=O HMDB0000965 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 OC(=O)CC=O HMDB0011111 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.2 C=CCCC=O HMDB0032458 [1,0,0,0,0,0|0,0,2]=3 33 B5R0.2 CC/C=C\C=O HMDB0031601 [1,0,0,0,0,0|0,0,2]=3 34 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|0,0,3]=4 35 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,0]=1 36 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|0,0,1]=2 38 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,1,1]=3 39 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,0,1]=3 43 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.2 C[Se]SCC=C HMDB0030877 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.2 NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|0,0,0]=1 49 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|0,0,0]=1 55 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.3 COC(=O)CCSC HMDB0034377 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,1,0,0,0,0|0,0,3]=4 60 B7R0.4 CC(=O)NCCC=O HMDB0012880 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,0,0,0,0|0,0,1]=2 65 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|1,1,1]=4 68 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|0,0,0]=1 69 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|0,0,0]=1 74 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,1,0,0,0,0|0,0,1]=2 75 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [0,1,0,0,0,0|0,0,2]=3 76 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [0,1,0,0,0,0|0,0,2]=3 77 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,1,0,0,0,0|0,0,2]=3 78 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,1,0,0,0,0|0,0,1]=2 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|0,0,0]=1 82 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [0,1,0,0,0,0|0,0,0]=1 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|1,0,1]=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 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,1,0,0,0,0|0,0,1]=2 97 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,1,0,0,0,0|0,0,2]=3 100 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,1,0,0,0,0|0,0,0]=1 102 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.6 NC(=N)NCC(O)=O HMDB0000128 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.8 NCCOP(O)(O)=O HMDB0000224 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|1,0,1]=3 107 B7R1.2 CC1COC(=O)C1 HMDB0002167 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|0,0,2]=3 110 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,0|1,0,1]=3 111 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|1,0,0]=2 116 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|2,0,0]=4 118 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|2,0,0]=4 119 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|1,0,1]=4 121 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|2,0,0]=4 123 B4R0.1 NCC(O)=O HMDB0000123 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.1 OC(=O)C#C HMDB0006804 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,2]=4 126 B4R0.1 OC(=O)C=O HMDB0000119 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.1 OCC(O)=O HMDB0000115 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,0,0]=2 130 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 131 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,0,0]=2 133 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,0]=3 134 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 137 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 140 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 141 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 142 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 143 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,0]=3 144 B4R0.2 NCCCN HMDB0000002 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.2 O=CCC#C HMDB0006853 [2,0,0,0,0,0|0,0,2]=4 146 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 148 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|1,0,0]=3 149 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,1,0]=4 150 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,0]=2 153 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,1,0]=3 154 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,1,0,0,0,0|0,0,1]=3 162 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|0,0,0]=2 165 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|0,0,0]=2 167 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,1,0,0,0,0|0,0,0]=2 168 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|1,0,0]=3 170 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,1,0,0,0,0|0,0,0]=2 171 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,1,0,0,0,0|0,0,0]=2 172 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,1,0,0,0,0|0,0,2]=4 174 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,1,0,0,0,0|0,0,2]=4 175 B6R0.3 CC(C=O)C(O)=O HMDB0001172 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.3 CC(CN)C(O)=O HMDB0003911 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|0,0,1]=3 178 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,1,0,0,0,0|0,0,1]=3 180 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|0,0,0]=2 181 B6R0.3 CCC(C)C(O)S HMDB0032373 [1,1,0,0,0,0|0,1,1]=4 182 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,1,0,0,0,0|0,0,0]=2 183 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [1,1,0,0,0,0|0,0,0]=2 184 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|0,0,0]=2 185 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.3 C[C@@H](C=O)C(O)=O HMDB0002217 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [1,1,0,0,0,0|1,0,0]=3 197 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,1,0,0,0,0|1,0,1]=4 199 B6R0.3 OC(C=O)C(O)=O HMDB0006938 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.3 OC(CS)C(O)=O HMDB0002127 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [1,1,0,0,0,0|1,0,0]=3 205 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 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|0,0,2]=4 212 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,1,0,0,0,0|0,0,1]=3 213 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|0,0,2]=4 214 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|0,0,1]=3 215 B6R0.6 CCC=CCC=O HMDB0031497 [1,1,0,0,0,0|0,0,1]=3 216 B6R0.6 CCCC=CC=O HMDB0031496 [1,1,0,0,0,0|0,0,1]=3 217 B6R0.6 CCCCCC=O HMDB0005994 [1,1,0,0,0,0|0,0,0]=2 218 B6R0.6 CCCCCCC HMDB0031447 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.6 CCCCCCN HMDB0032323 [1,1,0,0,0,0|1,0,1]=4 220 B6R0.6 CCCCCCO HMDB0012971 [1,1,0,0,0,0|0,0,1]=3 221 B6R0.6 CCCCCSS HMDB0031160 [1,1,0,0,0,0|0,1,1]=4 222 B6R0.6 CCCCN=C=S HMDB0031328 [1,1,0,0,0,0|0,1,1]=4 223 B6R0.6 CCCCON=O HMDB0031329 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.6 CCCSCCC HMDB0031431 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.6 CNCCCCN HMDB0003661 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.6 NCCCCC=O HMDB0012815 [1,1,0,0,0,0|0,0,0]=2 227 B6R0.6 NCCCCCN HMDB0002322 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.6 O=CCCCC=O HMDB0029599 [1,1,0,0,0,0|0,0,1]=3 229 B6R0.6 OCCSCCO HMDB0042033 [1,1,0,0,0,0|1,0,1]=4 230 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,2,0,0,0,0|0,0,1]=3 231 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|0,0,1]=3 232 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,2,0,0,0,0|0,0,0]=2 233 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,2,0,0,0,0|0,0,0]=2 234 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,2,0,0,0,0|0,0,0]=2 235 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,2,0,0,0,0|1,0,0]=3 236 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,2,0,0,0,0|0,0,0]=2 239 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|1,0,1]=4 240 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,2,0,0,0,0|0,0,1]=3 244 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,2,0,0,0,0|0,0,0]=2 246 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,2,0,0,0,0|0,0,2]=4 249 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,2,0,0,0,0|0,0,1]=3 251 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,2,0,0,0,0|0,0,0]=2 252 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,2,0,0,0,0|0,0,0]=2 253 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,2,0,0,0,0|0,0,0]=2 254 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,2,0,0,0,0|0,0,0]=2 255 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,2,0,0,0,0|1,0,1]=4 260 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,2,0,0,0,0|1,0,1]=4 261 B8R0.23 N[C@@H](CS(=O)=O)C(O)=O HMDB0000996 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,2,0,0,0,0|1,0,1]=4 263 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,2,0,0,0,0|1,0,1]=4 264 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,2,0,0,0,0|0,0,0]=2 269 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,2,0,0,0,0|0,0,2]=4 272 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,1]=4 274 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,0,0]=2 275 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,2,0,0,0,0|0,0,1]=3 277 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,2,0,0,0,0|0,0,1]=3 279 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|0,0,0]=2 285 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|1,0,1]=4 287 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|0,0,1]=3 288 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,2,0,0,0,0|0,0,0]=2 290 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|0,0,0]=2 291 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [0,2,0,0,0,0|0,0,0]=2 292 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [0,2,0,0,0,0|0,0,0]=2 293 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,2,0,0,0,0|1,1,0]=4 294 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|0,0,1]=3 295 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|0,0,0]=2 296 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [0,2,0,0,0,0|0,0,0]=2 297 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|0,0,0]=2 298 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|0,0,1]=3 299 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|0,0,0]=2 300 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [0,2,0,0,0,0|0,0,0]=2 301 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [0,2,0,0,0,0|0,0,0]=2 302 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [0,2,0,0,0,0|1,0,0]=3 303 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [0,2,0,0,0,0|0,0,1]=3 304 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [0,2,0,0,0,0|0,0,1]=3 307 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,2,0,0,0,0|0,0,0]=2 308 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [0,2,0,0,0,0|0,0,1]=3 309 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [0,2,0,0,0,0|1,0,1]=4 310 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [0,2,0,0,0,0|0,0,2]=4 311 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.7 CC(=O)NCCCC=O HMDB0004226 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.7 CC(=O)NCCCCN HMDB0002064 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,2,0,0,0,0|1,0,1]=4 316 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,2,0,0,0,0|0,0,0]=2 317 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,2,0,0,0,0|1,0,1]=4 318 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,2,0,0,0,0|0,0,0]=2 319 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,2,0,0,0,0|1,0,1]=4 321 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|0,0,0]=2 322 B8R0.7 CCCCCC[N+](O)=O HMDB0013812 [0,2,0,0,0,0|1,0,0]=3 323 B8R0.7 CCCCOCC(O)=O HMDB0041844 [0,2,0,0,0,0|0,0,0]=2 324 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,2,0,0,0,0|1,0,0]=3 325 B8R0.7 NCCCCNC(N)=N HMDB0001432 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,2,0,0,0,0|0,0,0]=2 327 B8R0.7 OCCCCCC(O)=O HMDB0012843 [0,2,0,0,0,0|0,0,0]=2 328 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,2,0,0,0,0|1,0,1]=4 329 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,2,0,0,0,0|1,0,1]=4 330 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,2,0,0,0,0|1,0,1]=4 331 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,2,0,0,0,0|0,0,0]=2 332 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,2,0,0,0,0|0,0,0]=2 335 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,2,0,0,0,0|0,0,0]=2 336 B8R0.28 NC(=N)NCCC(O)=O HMDB0013222 [0,2,0,0,0,0|1,0,1]=4 337 B8R0.28 NC(=O)NCCC(O)=O HMDB0000026 [0,2,0,0,0,0|1,0,1]=4 338 B8R0.28 OC(=O)CCCC(O)=O HMDB0000661 [0,2,0,0,0,0|0,0,1]=3 339 B8R0.28 OC(=O)CSCC(O)=O HMDB0042032 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.14 N[C@@H](CCS)S(O)(=O)=O HMDB0002238 [0,2,0,0,0,0|2,0,0]=4 341 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|1,0,0]=3 342 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,0]=3 343 B6R1.2 O=C1CCCO1 HMDB0000549 [1,0,0,1,0,0|0,0,0]=2 344 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,1,0]=3 345 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|2,0,0]=4 346 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4 347 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|0,0,2]=4 348 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,1]=4 349 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,1]=4 350 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,1,0,1,0,0|0,0,0]=2 351 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [0,1,0,1,0,0|0,0,0]=2 353 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|0,0,1]=3 360 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|0,0,1]=3 362 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [0,1,0,1,0,0|0,0,1]=3 366 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [0,1,0,1,0,0|0,0,0]=2 368 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [0,1,0,1,0,0|0,0,0]=2 369 B8R1.7 [O-]C(=O)C1=[NH+]CCC1 HMDB0006875 [0,1,0,1,0,0|0,0,2]=4