0 B6R0.4 CC(=O)OCCN HMDB0038394 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.4 CCCCC(O)=O HMDB0000892 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.4 CCCOC(C)=O HMDB0034237 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 CCCSC(C)=O HMDB0033856 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 CCOCC(O)=O HMDB0031212 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.4 CSCCC(C)=O HMDB0031316 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CSCCC(C)O HMDB0041476 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.4 CSCCC(O)=O HMDB0001527 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.4 NCCNN(=O)=O HMDB0031226 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 OC(=O)CCC=C HMDB0031602 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.4 OC(=O)CCC=O HMDB0001259 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 C/C=C/C(O)=O HMDB0010720 [1,0,0,0,0,0|0,0,2]=3 13 B5R0.1 C/C=C\C(O)=O HMDB0034439 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC(=O)CC=C HMDB0031606 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.1 CC(=O)CCS HMDB0041015 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(O)CCS HMDB0041475 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CCCC(C)O HMDB0031599 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CCCC(C)S HMDB0041010 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.1 CCCC(N)=O HMDB0033870 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CCCC(O)=O HMDB0000039 [1,0,0,0,0,0|0,0,0]=1 24 B5R0.1 CCNC(C)=O HMDB0031215 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CCOC(N)=O HMDB0031219 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCOC(O)=O HMDB0031232 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 CCSC(C)=O HMDB0031190 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.1 CSCC(C)=O HMDB0040170 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 OC(=O)CCI HMDB0031252 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 OC(=O)CCS HMDB0041604 [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#N HMDB0040173 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,1,1]=3 39 B5R0.2 CCCOC=O HMDB0040253 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 CCSSC=C HMDB0033052 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 CSSCC=C HMDB0041389 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.2 C[Se]SCC=C HMDB0030877 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|0,0,0]=1 53 B7R0.3 CCCCC(C)C=O HMDB0040191 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.3 CCCCC(O)CC HMDB0031481 [0,1,0,0,0,0|1,0,1]=3 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)CCCC=O HMDB0033568 [0,1,0,0,0,0|1,0,1]=3 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 HMDB0031487 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.4 CC/C=C\CC(O)=O HMDB0031501 [0,1,0,0,0,0|0,0,1]=2 65 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,1,0,0,0,0|0,0,1]=2 67 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|1,1,1]=4 69 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|0,0,0]=1 70 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.4 CCOCC=C(C)C HMDB0038052 [0,1,0,0,0,0|2,0,1]=4 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(C)C(C)C HMDB0037617 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CSC[C@H](N)C(O)=O HMDB0002108 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [0,1,0,0,0,0|1,0,1]=3 85 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,1,0,0,0,0|1,0,1]=3 87 B7R0.6 CC(=O)COC(C)=O HMDB0034466 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,1,0,0,0,0|0,0,2]=3 90 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,1,0,0,0,0|0,0,0]=1 92 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.6 OC(=O)CCN(=O)=O HMDB0034259 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.8 CCCSS(O)(=O)=O HMDB0041066 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [0,0,0,1,0,0|1,0,1]=3 97 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,0,0,1,0,0|0,0,0]=1 98 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [0,0,0,1,0,0|0,1,0]=2 99 B7R1.2 CC1CN=C(C)N1 HMDB0037787 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 CC1COC(C)O1 HMDB0032230 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [0,0,0,1,0,0|0,0,2]=3 102 B7R1.2 CC1OCC(C)=N1 HMDB0040518 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.2 CC1SCC(C)=N1 HMDB0040331 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.2 O=C1CCC(=O)O1 HMDB0032523 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 CC1OCCCS1 HMDB0039826 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.3 O=C1CCC=CO1 HMDB0040145 [0,0,0,1,0,0|0,0,2]=3 109 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [0,0,0,1,0,0|1,0,0]=2 111 B4R0.1 CC(=O)CS HMDB0030025 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CCC(O)=O HMDB0000237 [2,0,0,0,0,0|0,0,0]=2 113 B4R0.1 COC(C)=O HMDB0031523 [2,0,0,0,0,0|2,0,0]=4 114 B4R0.1 CSC(C)=O HMDB0031189 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 OC(=O)C=C HMDB0031647 [2,0,0,0,0,0|0,0,2]=4 116 B4R0.1 OC(=O)CCl HMDB0031331 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.2 C/C=C\C=O HMDB0034233 [2,0,0,0,0,0|0,0,2]=4 118 B4R0.2 C/C=C\CO HMDB0033858 [2,0,0,0,0,0|0,0,2]=4 119 B4R0.2 CCC=S=O HMDB0040346 [2,0,0,0,0,0|1,0,1]=4 120 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 121 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,1,0]=3 123 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,0,0]=3 124 B4R0.2 CCOC=O HMDB0031229 [2,0,0,0,0,0|1,0,0]=3 125 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 CSCC=C HMDB0031653 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.2 CSCC=O HMDB0031718 [2,0,0,0,0,0|1,0,0]=3 129 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.2 C[Se]CC=C HMDB0030878 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|0,0,2]=4 132 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,1,0]=4 133 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.1 CCC(=O)CSC HMDB0037193 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.1 CCCC(=O)OC HMDB0033890 [1,1,0,0,0,0|0,0,0]=2 136 B6R0.1 CCCC(=O)SC HMDB0031191 [1,1,0,0,0,0|0,1,0]=3 137 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.1 CCOC(=O)C=C HMDB0033978 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.1 CCOC(=O)CC HMDB0030058 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.1 COC(=O)CSC HMDB0035646 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|0,0,0]=2 147 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.3 C/C=C(/C)C(O)=O HMDB0029608 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.3 C/C=C(\C)C(O)=O HMDB0001470 [1,1,0,0,0,0|0,0,2]=4 152 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,1,0,0,0,0|0,0,1]=3 153 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,1,0,0,0,0|0,0,0]=2 155 B6R0.3 CCC(C)C(O)S HMDB0032373 [1,1,0,0,0,0|0,1,1]=4 156 B6R0.3 CCC(O)C(C)=O HMDB0031516 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.3 CCC(S)C(C)=O HMDB0034896 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,1,0,0,0,0|0,0,0]=2 159 B6R0.3 CSC(C)C(C)=O HMDB0041558 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.3 OCC(O)C(O)=O HMDB0031818 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.5 CCOS(O)(=O)=O HMDB0031233 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.6 C/C=C/CCC=O HMDB0040271 [1,1,0,0,0,0|0,0,1]=3 163 B6R0.6 C/C=C\CCC=O HMDB0033549 [1,1,0,0,0,0|0,0,1]=3 164 B6R0.6 C/C=C\CCCO HMDB0031502 [1,1,0,0,0,0|0,0,2]=4 165 B6R0.6 CC/C=C\CC=O HMDB0031498 [1,1,0,0,0,0|0,0,1]=3 166 B6R0.6 CC/C=C\CCO HMDB0030003 [1,1,0,0,0,0|0,0,2]=4 167 B6R0.6 CCC/C=C/CO HMDB0030952 [1,1,0,0,0,0|0,0,1]=3 168 B6R0.6 CCC/C=C\C=O HMDB0040264 [1,1,0,0,0,0|0,0,1]=3 169 B6R0.6 CCC=CCC=O HMDB0031497 [1,1,0,0,0,0|0,0,1]=3 170 B6R0.6 CCCC=CC=O HMDB0031496 [1,1,0,0,0,0|0,0,1]=3 171 B6R0.6 CCCCCCC HMDB0031447 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.6 CCCCCCN HMDB0032323 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.6 CCCCCCO HMDB0012971 [1,1,0,0,0,0|0,0,1]=3 174 B6R0.6 CCCCCCS HMDB0039806 [1,1,0,0,0,0|0,1,1]=4 175 B6R0.6 CCCCCSS HMDB0031160 [1,1,0,0,0,0|0,1,1]=4 176 B6R0.6 CCCCN=C=S HMDB0031328 [1,1,0,0,0,0|0,1,1]=4 177 B6R0.6 CCCCOC=O HMDB0040575 [1,1,0,0,0,0|0,0,0]=2 178 B6R0.6 CCCCON=O HMDB0031329 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.6 CCCS/C=C/C HMDB0040244 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.6 CCCSCCC HMDB0031431 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.6 CSCCCC=O HMDB0037474 [1,1,0,0,0,0|0,0,0]=2 182 B6R0.6 CSCCCCO HMDB0041562 [1,1,0,0,0,0|0,0,1]=3 183 B6R0.6 O=CCCCC=O HMDB0029599 [1,1,0,0,0,0|0,0,1]=3 184 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,2,0,0,0,0|0,0,1]=3 185 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,2,0,0,0,0|0,0,1]=3 186 B8R0.2 CCC(C)C(N)C(O)=O HMDB0033923 [0,2,0,0,0,0|0,0,0]=2 187 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,2,0,0,0,0|0,0,0]=2 188 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,2,0,0,0,0|0,0,0]=2 189 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,2,0,0,0,0|1,0,0]=3 190 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,2,0,0,0,0|1,0,0]=3 192 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,2,0,0,0,0|2,0,0]=4 196 B8R0.19 CCC(C)CC(C)CO HMDB0037791 [0,2,0,0,0,0|1,0,1]=4 197 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,2,0,0,0,0|1,0,0]=3 198 B8R0.23 CC(=O)CC(O)C(O)=O HMDB0040531 [0,2,0,0,0,0|0,0,1]=3 199 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,2,0,0,0,0|0,0,2]=4 200 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,2,0,0,0,0|1,0,1]=4 201 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,2,0,0,0,0|0,0,1]=3 202 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,2,0,0,0,0|0,0,0]=2 203 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,2,0,0,0,0|0,0,0]=2 204 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,2,0,0,0,0|0,0,0]=2 205 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,2,0,0,0,0|0,0,0]=2 206 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,2,0,0,0,0|1,0,0]=3 207 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.34 CSC(C)(C)CC(C)=O HMDB0037621 [0,2,0,0,0,0|2,0,0]=4 210 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,2,0,0,0,0|1,0,0]=3 211 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,2,0,0,0,0|0,0,0]=2 212 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,2,0,0,0,0|2,0,0]=4 214 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,2,0,0,0,0|1,0,0]=3 216 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,2,0,0,0,0|0,0,0]=2 218 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,2,0,0,0,0|1,0,1]=4 219 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,2,0,0,0,0|0,0,1]=3 220 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,2,0,0,0,0|0,0,1]=3 222 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,2,0,0,0,0|1,0,0]=3 223 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,2,0,0,0,0|1,0,0]=3 224 B8R0.6 CCCCCC(=O)OC HMDB0035238 [0,2,0,0,0,0|0,0,0]=2 225 B8R0.6 CCCCCC(=O)SC HMDB0039465 [0,2,0,0,0,0|0,1,0]=3 226 B8R0.6 CCCCCC(O)C=C HMDB0031299 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,2,0,0,0,0|1,0,1]=4 228 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.6 CCCCOC(C)OC HMDB0037636 [0,2,0,0,0,0|1,0,1]=4 230 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,2,0,0,0,0|0,0,0]=2 231 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,2,0,0,0,0|0,0,1]=3 234 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [0,2,0,0,0,0|0,0,0]=2 236 B8R0.8 CCCOC(=O)C(C)C HMDB0036209 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,2,0,0,0,0|1,1,0]=4 238 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,2,0,0,0,0|0,0,1]=3 239 B8R0.8 CSCCC(N)C(O)=O HMDB0033951 [0,2,0,0,0,0|0,0,0]=2 240 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.8 CSCC[C@H](N)C(O)=O HMDB0000696 [0,2,0,0,0,0|0,0,0]=2 242 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [0,2,0,0,0,0|0,0,0]=2 243 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,2,0,0,0,0|0,0,1]=3 244 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [0,2,0,0,0,0|0,0,0]=2 245 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.9 CCC(=O)OCC(C)C HMDB0034239 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,2,0,0,0,0|0,0,1]=3 249 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,2,0,0,0,0|0,0,0]=2 250 B8R0.9 CSC(=O)CCC(C)C HMDB0039468 [0,2,0,0,0,0|0,1,0]=3 251 B8R0.11 CCCC/C(=C\C)C=O HMDB0037152 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.7 CC(=O)OCCCC=C HMDB0032460 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.7 CC(O)CCCCC=C HMDB0037181 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.7 CC/C=C\CCC(C)=O HMDB0035390 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [0,2,0,0,0,0|0,0,0]=2 257 B8R0.7 CCCC/C=C/C(C)=O HMDB0033547 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.7 CCCC/C=C/C(C)O HMDB0032450 [0,2,0,0,0,0|1,0,1]=4 259 B8R0.7 CCCC/C=C/C(O)=O HMDB0031484 [0,2,0,0,0,0|0,0,0]=2 260 B8R0.7 CCCCCCC(C)=O HMDB0031294 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.7 CCCCCCC(C)O HMDB0034261 [0,2,0,0,0,0|1,0,1]=4 262 B8R0.7 CCCCCCC(O)=O HMDB0000666 [0,2,0,0,0,0|0,0,0]=2 263 B8R0.7 CCCCCOC(C)=O HMDB0039095 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.7 CSCCCOC(C)=O HMDB0031717 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.7 NCCCCNC(O)=N HMDB0033458 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.7 OC(=O)CCCCC=O HMDB0012882 [0,2,0,0,0,0|0,0,0]=2 267 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,2,0,0,0,0|1,0,1]=4 268 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,2,0,0,0,0|1,0,1]=4 269 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,2,0,0,0,0|0,0,0]=2 271 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,2,0,0,0,0|2,0,0]=4 273 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 O=C1CCCS1 HMDB0031253 [1,0,0,1,0,0|0,1,0]=3 275 B6R1.2 O=C1CCON1 HMDB0039426 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 O=C1CCSC1 HMDB0031242 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.2 O=C1OCC=C1 HMDB0032330 [1,0,0,1,0,0|0,0,2]=4 278 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,1]=4 279 B6R1.1 C1CCNCC1 HMDB0034301 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,1]=4 281 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.4 CC1=CCCC(O)C1 HMDB0034372 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.18 CC1CC(S)C(C)O1 HMDB0032237 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.51 BrC1CCS(=O)(=O)C1 HMDB0040457 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.51 CC1(C)OC(=O)C=C1 HMDB0040260 [0,1,0,1,0,0|0,0,2]=4 290 B8R1.2 O=CN1CCCCC1 HMDB0031702 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,1,0,1,0,0|1,0,0]=3 292 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,1,0,1,0,0|0,0,1]=3 294 B8R1.50 CC1=C(O)C(=N)CC1 HMDB0039584 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.50 CC1=C(O)C(=O)CS1 HMDB0033548 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,1,0,1,0,0|0,0,1]=3 298 B8R1.7 CC(=O)C1=NCCC1 HMDB0031308 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.7 CC(=O)C1CCCN1 HMDB0037293 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.7 CC(=O)C1CCSS1 HMDB0040230 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.7 OC(=O)C1CSSC1 HMDB0029611 [0,1,0,1,0,0|1,0,0]=3