0 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,0,0,0,0,0|0,0,2]=2 3 B9R0.35 CCOC(=O)C(C)C=C=C HMDB0037196 [0,0,0,0,0,0|0,0,3]=3 4 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,0,0,0,0,0|0,0,2]=2 5 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,0,0,0,0|0,0,0]=1 8 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,0,0,0,0,0|0,0,0]=1 13 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [1,0,0,0,0,0|0,0,0]=1 16 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,0,0,0,0,1|1,0,1]=3 18 B10R0.2 CCCC(C)OC(=O)CCC HMDB0039219 [0,0,0,0,0,1|1,0,0]=2 19 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,0,0,0,0,1|1,0,0]=2 20 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,0,0,0,0,1|2,0,1]=4 21 B7R0.1 CC/C=C\CCCO HMDB0031405 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.1 CCCCCCCC HMDB0001485 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.1 CCCCSSCC HMDB0032180 [2,0,0,0,0,0|1,1,0]=4 24 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,0]=2 25 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|0,0,0]=2 26 B7R0.3 CCCCC(C)CC HMDB0031583 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.3 COC(=O)CCC=C HMDB0040328 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|0,0,0]=2 33 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.7 CCOC(C)OCC HMDB0031644 [2,0,0,0,0,0|1,0,0]=3 36 B7R0.7 CCSC(C)CCO HMDB0032277 [2,0,0,0,0,0|1,1,0]=4 37 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [2,0,0,0,0,0|0,0,0]=2 43 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [2,0,0,0,0,0|0,0,0]=2 46 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [2,0,0,0,0,0|1,0,1]=4 55 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [2,0,0,0,0,0|0,0,0]=2 56 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,1,0,0,0,0|0,0,1]=3 58 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,1,0,0,0,0|1,0,0]=3 59 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,1,0,0,0,0|0,0,0]=2 61 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [1,1,0,0,0,0|0,0,1]=3 63 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [1,1,0,0,0,0|0,0,1]=3 64 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [1,1,0,0,0,0|0,0,0]=2 65 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [1,1,0,0,0,0|0,0,0]=2 67 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|0,0,0]=2 68 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [1,1,0,0,0,0|0,0,0]=2 70 B9R0.19 CCOC(=O)C(C)(O)CC HMDB0032269 [1,1,0,0,0,0|0,0,0]=2 71 B9R0.23 C/C=C(/C)C(=O)OC(C)C HMDB0037624 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.23 CCC(C)C(=O)OC(C)C HMDB0039217 [1,1,0,0,0,0|0,0,0]=2 73 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [1,1,0,0,0,0|1,0,1]=4 75 B9R0.37 CCOC(=O)C(CC)CC HMDB0040298 [1,1,0,0,0,0|0,0,0]=2 76 B11R0.11 CCCCC(C)C(=C)CCCC HMDB0032236 [0,2,0,0,0,0|2,0,0]=4 77 B11R0.191 CCCCC(CC)C(=O)OCC HMDB0032264 [0,2,0,0,0,0|0,0,0]=2 78 B9R1.8 CCCC1CCCCN1 HMDB0030285 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [1,0,0,1,0,0|1,0,1]=4 81 B11R1.34 CCCC1CC(C)=CC(=O)C1 HMDB0031854 [0,0,0,1,0,1|1,0,1]=4 82 B11R1.598 CCOC1=C(C)OC(C)C1=O HMDB0032232 [0,1,0,1,0,0|1,0,1]=4