0 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 CC(=O)CCCC=O HMDB0033568 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(O)CCCCO HMDB0031490 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.4 CCCCCC(C)O HMDB0033908 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.4 CCCCCC(C)S HMDB0032303 [0,0,0,0,0,0|1,1,1]=3 10 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.4 CCCNCC(C)C HMDB0031244 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CCOCC=C(C)C HMDB0038052 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 OC(=O)CCCC=O HMDB0012233 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.4 CC(=O)OCCN HMDB0038394 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|0,0,0]=1 19 B6R0.4 CCCOC(C)=O HMDB0034237 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CCCSC(C)=O HMDB0033856 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CSCCC(C)O HMDB0041476 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 C/C=C/CCC=O HMDB0040271 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.6 C/C=C\CCC=O HMDB0033549 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|0,0,3]=4 30 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|0,0,3]=4 32 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|0,0,3]=4 33 B6R0.6 CCC/C=C\C=O HMDB0040264 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.6 CCC=CCC=O HMDB0031497 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|0,0,1]=2 39 B6R0.6 CCCCCCS HMDB0039806 [1,0,0,0,0,0|0,1,1]=3 40 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|1,1,0]=3 41 B6R0.6 CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|1,1,1]=4 42 B6R0.6 CCCCOC=O HMDB0040575 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 CCCS/C=C/C HMDB0040244 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 CSCCCC=O HMDB0037474 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.6 CSCCCCO HMDB0041562 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 O=CCCCC=O HMDB0029599 [1,0,0,0,0,0|1,0,1]=3 49 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,1,0,0,0,0|0,0,2]=3 58 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.6 CCCCCC(=O)OC HMDB0035238 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,1,0,0,0,0|0,1,0]=2 62 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.6 CCCCCC(S)SC HMDB0039783 [0,1,0,0,0,0|0,2,1]=4 65 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.6 CCCCOC(C)OC HMDB0037636 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,1,0,0,0,0|0,0,1]=2 72 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,1,0,0,0,0|0,0,1]=2 75 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.7 CCCCCCC(C)C HMDB0031556 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,1,0,0,0,0|0,0,0]=1 79 B8R0.7 CCCCCOC(C)=O HMDB0039095 [0,1,0,0,0,0|1,0,0]=2 80 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.7 NCCCCNC(O)=N HMDB0033458 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,1,0,0,0,0|0,0,1]=2 83 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,1,0,0,0,0|0,0,0]=1 86 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,0|1,0,2]=4 94 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,1,0,0,0,0|2,0,1]=4 96 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,1,0,0,0,0|0,0,0]=1 100 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,0,0,1,0,0|1,0,0]=2 105 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,0,0,1,0,0|1,0,1]=3 106 B8R1.4 CC1CCCC(S)C1 HMDB0031537 [0,0,0,1,0,0|1,1,1]=4 107 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.7 CC(=O)C1CCCN1 HMDB0037293 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.7 CC(=O)C1CCSS1 HMDB0040230 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,0,0,1,0,0|2,0,0]=3 111 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,2]=4 112 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,2]=4 113 B5R0.1 CC(=O)CCS HMDB0041015 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 CCCC(C)=O HMDB0034235 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CCCC(C)O HMDB0031599 [2,0,0,0,0,0|1,0,1]=4 116 B5R0.1 CCCC(N)=O HMDB0033870 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,0]=2 118 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.1 CSCC(C)=O HMDB0040170 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 OC(=O)CCS HMDB0041604 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|0,0,2]=4 127 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,2]=4 128 B5R0.2 CC/C=C\CO HMDB0031604 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.2 CCCCC#N HMDB0040173 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,0]=2 131 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,1]=3 132 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|0,1,0]=3 133 B5R0.2 CCCOC=O HMDB0040253 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|0,0,0]=2 139 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|0,0,0]=2 142 B7R0.3 CCCCC(C)C=O HMDB0040191 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.3 CCCCC(O)CC HMDB0031481 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.3 COC(=O)CCC=C HMDB0040328 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.3 COC(=O)CCSC HMDB0034377 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,1,0,0,0,0|0,0,2]=4 148 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,1,0,0,0,0|0,0,2]=4 149 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,1,0,0,0,0|0,0,2]=4 158 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,1,0,0,0,0|0,0,0]=2 160 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.6 OC(=O)CCN(=O)=O HMDB0034259 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.8 CCCSS(O)(=O)=O HMDB0041066 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.1 CC/C=C\CCC=O HMDB0031483 [1,1,0,0,0,0|0,0,1]=3 165 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,1,0,0,0,0|0,0,2]=4 166 B7R0.1 CCCC/C=C/C=C HMDB0040966 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.1 CCCC/C=C/C=O HMDB0033827 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.1 CCCCCCC=C HMDB0032449 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.1 CCCCCCC=O HMDB0031475 [1,1,0,0,0,0|0,0,0]=2 170 B7R0.1 CCCCCCCO HMDB0031479 [1,1,0,0,0,0|0,0,1]=3 171 B7R0.1 CCCCCCCS HMDB0032304 [1,1,0,0,0,0|0,1,1]=4 172 B7R0.1 CCCCCCOC HMDB0032407 [1,1,0,0,0,0|0,0,1]=3 173 B7R0.1 CCCCCN=C=S HMDB0038433 [1,1,0,0,0,0|0,1,1]=4 174 B7R0.1 CCCCCOC=O HMDB0040327 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.1 CCCCCSSC HMDB0031161 [1,1,0,0,0,0|1,1,0]=4 176 B7R0.1 CCCCOCCO HMDB0031327 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.1 CCCSSCC=C HMDB0033912 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.1 SCCCCCCS HMDB0031709 [1,1,0,0,0,0|0,1,1]=4 179 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.7 CCCC(S)CCO HMDB0040152 [1,1,0,0,0,0|0,0,1]=3 181 B7R0.7 CCSC(C)CCO HMDB0032277 [1,1,0,0,0,0|1,0,1]=4 182 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,2,0,0,0,0|0,0,1]=3 183 B9R0.34 CCCC(O)CC(=O)OC HMDB0039407 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.53 CC(CC(O)=O)CC(O)=O HMDB0000752 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.1 CCC(=O)OCCC(C)C HMDB0034164 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,2,0,0,0,0|0,0,0]=2 188 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,2,0,0,0,0|0,0,1]=3 189 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,2,0,0,0,0|0,0,2]=4 190 B9R0.5 CCCCCC(=O)/C=C\C HMDB0035916 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.5 CCCCCC(=O)CC=C HMDB0035927 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,2,0,0,0,0|1,0,0]=3 193 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,2,0,0,0,0|0,0,0]=2 194 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,2,0,0,0,0|0,0,0]=2 195 B9R0.5 CCCCCC(O)CCO HMDB0029359 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,2,0,0,0,0|0,0,2]=4 199 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.24 COC(=O)CCC(=O)OC HMDB0033837 [0,2,0,0,0,0|1,0,1]=4 201 B9R0.46 CCC(=O)CCCCC=C HMDB0034758 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,2,0,0,0,0|0,0,1]=3 203 B9R0.46 CCCCC/C=C(/C)C=O HMDB0033554 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,2,0,0,0,0|1,0,0]=3 205 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.46 CCCCCCC(C)C=O HMDB0031684 [0,2,0,0,0,0|1,0,1]=4 207 B9R0.46 CCCCCCC(O)C=C HMDB0034152 [0,2,0,0,0,0|1,0,1]=4 208 B9R0.46 CCCCCCC(O)CC HMDB0031732 [0,2,0,0,0,0|1,0,1]=4 209 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,2,0,0,0,0|1,0,0]=3 210 B9R0.46 CCCCCOC(C)OC HMDB0038679 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.47 C/C=C\SCC(N)C(O)=O HMDB0029440 [0,2,0,0,0,0|0,0,2]=4 212 B9R0.47 CC(CSCCN)C(O)=O HMDB0002169 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.47 CCCCCC(=C)C(C)=O HMDB0037170 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,2,0,0,0,0|0,0,1]=3 215 B9R0.47 CCCCCC(C)C(O)=O HMDB0031587 [0,2,0,0,0,0|0,0,0]=2 216 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [0,2,0,0,0,0|0,0,1]=3 217 B9R0.47 CCCCOC(=O)C(C)C HMDB0040251 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.47 CCCCOC(=O)C(C)O HMDB0040254 [0,2,0,0,0,0|1,0,0]=3 219 B9R0.47 CCCSCC(N)C(O)=O HMDB0034324 [0,2,0,0,0,0|0,0,0]=2 220 B9R0.47 CSCCCC(N)C(O)=O HMDB0030406 [0,2,0,0,0,0|0,0,0]=2 221 B9R0.47 NC(CSCC=C)C(O)=O HMDB0034323 [0,2,0,0,0,0|0,0,2]=4 222 B9R0.47 NCCCC[C@H](N)C(O)=O HMDB0000182 [0,2,0,0,0,0|0,0,0]=2 223 B9R0.47 NCCSCC(N)C(O)=O HMDB0033518 [0,2,0,0,0,0|1,0,0]=3 224 B9R0.50 CCCC/C=C(/CC)C=O HMDB0037150 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.2 CC(=O)CCCCCC=C HMDB0035926 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [0,2,0,0,0,0|0,0,0]=2 228 B9R0.2 CC/C=C\CCOC(C)=O HMDB0040215 [0,2,0,0,0,0|1,0,1]=4 229 B9R0.2 CCC/C=C/CCC(C)=O HMDB0034761 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [0,2,0,0,0,0|0,0,0]=2 231 B9R0.2 CCC/C=C/COC(C)=O HMDB0040212 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.2 CCCCC/C=C/C(O)=O HMDB0001568 [0,2,0,0,0,0|0,0,0]=2 233 B9R0.2 CCCCC/C=C\C(C)=O HMDB0034764 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.2 CCCCC/C=C\C(O)=O HMDB0000392 [0,2,0,0,0,0|0,0,0]=2 235 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [0,2,0,0,0,0|1,0,0]=3 236 B9R0.2 CCCCCCCC(C)O HMDB0033916 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.2 CCCCCCCC(O)=O HMDB0000482 [0,2,0,0,0,0|0,0,0]=2 238 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.2 NCCCCCNC(N)=N HMDB0031505 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.48 CCOC(=O)CCC(C)=O HMDB0040433 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.55 CC(=O)NCCCC(O)=O HMDB0003681 [0,2,0,0,0,0|0,0,1]=3 242 B9R0.55 CC(C)CC/C=C/C(C)=O HMDB0039461 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,2,0,0,0,0|0,0,0]=2 244 B9R0.55 OC(=O)CCCCC(O)=O HMDB0000448 [0,2,0,0,0,0|0,0,1]=3 245 B9R0.55 OC(=O)CCNCC(O)=O HMDB0033550 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.7 CC(CCC(O)=O)C(O)=O HMDB0000422 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.7 C[S+](C)CCC(N)C(O)=O HMDB0038670 [0,2,0,0,0,0|1,0,0]=3 248 B9R0.7 N[C@H](CCC(O)=O)C(O)=O HMDB0003339 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [0,2,0,0,0,0|0,0,0]=2 250 B9R0.13 CCCCC(CO)C(C)=O HMDB0036165 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.42 CCS(=O)CC(N)C(O)=O HMDB0037057 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.43 CCC(CC)COC(C)=O HMDB0031703 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.56 CC(=O)OCCC(C)(C)S HMDB0039227 [0,2,0,0,0,0|2,0,0]=4 254 B9R0.56 C[N+](C)(C)CCCC(O)=O HMDB0001161 [0,2,0,0,0,0|1,0,0]=3 255 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [1,0,0,1,0,0|0,0,0]=2 257 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [1,0,0,1,0,0|0,1,0]=3 258 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,1,0,0|0,0,2]=4 259 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.3 O=C1CCC=CO1 HMDB0040145 [1,0,0,1,0,0|0,0,2]=4 261 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.1 O=CN1CCCC1 HMDB0034587 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.1 O=NN1CCCC1 HMDB0031642 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.1 OCC1CCCO1 HMDB0031175 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|0,0,2]=4 267 B7R1.4 CC1CCOC1=O HMDB0035143 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.4 CC1OCCC1=O HMDB0031178 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.4 CC1OCCC1O HMDB0039799 [1,0,0,1,0,0|1,0,1]=4 270 B7R1.4 CC1SCCC1=O HMDB0038556 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.4 CC1SCCC1O HMDB0035244 [1,0,0,1,0,0|1,0,1]=4 272 B7R1.4 NC1CCOC1=O HMDB0029387 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.4 SC1COCC1=O HMDB0039786 [1,0,0,1,0,0|2,0,0]=4 274 B9R1.7 CCCC1CCC(=O)O1 HMDB0031681 [0,1,0,1,0,0|0,0,0]=2 275 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,1,0,1,0,0|0,0,0]=2 276 B9R1.13 CC(=O)CN1CCCC1 HMDB0040030 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,1,0,1,0,0|0,0,0]=2 278 B9R1.22 OCC1OC(=O)CC1O HMDB0033958 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.34 CC1CC(O)CC(=O)O1 HMDB0033302 [0,1,0,1,0,0|0,0,0]=2 280 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.48 O=C1CCCCC(=O)O1 HMDB0040732 [0,1,0,1,0,0|0,0,1]=3 283 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.3 CC1CCCC(=O)C1=O HMDB0034080 [0,1,0,1,0,0|0,0,1]=3 285 B9R1.21 CCC1CCC(CC)O1 HMDB0029574 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.132 CCC1=C(O)C(=N)CC1 HMDB0039583 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,1,0,0|0,0,1]=3 288 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|0,0,1]=3 290 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,1,0,1,0,0|1,0,1]=4 291 B9R1.6 OC(=O)C1CCCCC1 HMDB0031342 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.35 CC(=O)C1CCC(=O)O1 HMDB0038072 [0,1,0,1,0,0|0,0,1]=3 293 B9R1.35 CC(C)C1OC(=O)C=C1 HMDB0041474 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.35 CC(O)C1CCC(=O)O1 HMDB0033286 [0,1,0,1,0,0|0,0,0]=2 295 B9R1.35 CC(O)C1OC(=O)C=C1 HMDB0033285 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.35 OC(=O)[C@@H]1CSS(=O)C1 HMDB0029612 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.35 OC1CNC(C1)C(O)=O HMDB0036576 [0,1,0,1,0,0|1,0,0]=3 300 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,1,0,1,0,0|0,0,0]=2 301 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [0,1,0,1,0,0|0,0,2]=4