0 B9R1.37 CC1CC(C)C(=O)C1=O HMDB0037027 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.37 CC1OC(C)=C(O)C1=O HMDB0040594 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.18 CC1=CC(S)=C(C)O1 HMDB0040197 [1,0,0,0,0,0|0,1,1]=3 5 B8R1.18 CC1=NC(C)=C(C)O1 HMDB0040148 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.18 CC1OC(=O)C(C)=C1 HMDB0039778 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,0,0,0,0,0|0,0,0]=1 8 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.50 CC1=C(O)C(=N)CC1 HMDB0039584 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.50 CC1=C(O)C(=O)CO1 HMDB0031859 [1,0,0,0,0,0|0,0,0]=1 11 B8R1.50 CC1=C(O)C(=O)CS1 HMDB0033548 [1,0,0,0,0,0|0,1,0]=2 12 B8R1.50 CC1=C(S)C(=O)CS1 HMDB0039828 [1,0,0,0,0,0|0,2,0]=3 13 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [1,0,0,0,0,0|1,0,2]=4 14 B8R1.50 CC1SC=C(O)C1S HMDB0039797 [1,0,0,0,0,0|0,2,1]=4 15 B8R1.50 OC1=C(O)C(=O)C=C1 HMDB0039437 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.34 CCC1CC(=O)C(O)=C1C HMDB0039673 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.34 CCC1CC(C)C(=O)C1=O HMDB0037167 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.34 CCC1OC(=O)C(O)=C1C HMDB0033551 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.34 CCC1OC(C)=C(O)C1=O HMDB0033736 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.191 CC1C(C)C(=O)C(O)=C1C HMDB0039652 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.256 CCC1=C(O)C(=O)CC1C HMDB0036176 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.256 COC1=C(C)OC(C)C1=O HMDB0034230 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.271 CC1=C(O)C(=O)C(C)(O)S1 HMDB0035901 [0,1,0,0,0,0|0,1,0]=2 24 B10R1.271 CC1=C(O)C(=O)CC1(C)C HMDB0040526 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.271 CC1CC(C)(C)C(=O)C1=O HMDB0039680 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,0,1,0,0,0|2,0,1]=4 27 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.22 CC1=CC(C)=C(O)C(C)=C1 HMDB0032544 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.119 CC1=C(C)C(O)=C(C)C=C1 HMDB0029667 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.119 CC1=C(O)C(=O)C(O)=CO1 HMDB0032988 [0,0,0,0,0,1|1,0,1]=3 31 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,1,0,0,0|1,0,0]=3 32 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 CCOC(=O)C(C)O HMDB0040735 [1,0,1,0,0,0|1,0,1]=4 36 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,0,1,0,0,0|0,0,2]=4 38 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [1,0,1,0,0,0|1,0,1]=4 39 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [1,0,1,0,0,0|2,0,0]=4 40 B7R0.16 CC(O)C(=O)C(O)=O HMDB0039324 [1,0,1,0,0,0|1,0,0]=3 41 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,1,0,0,0|2,0,0]=4 42 B7R1.2 CC1=CC(=O)CC1 HMDB0031546 [2,0,0,0,0,0|1,0,0]=3 43 B7R1.2 CC1=CC(C)=CO1 HMDB0032965 [2,0,0,0,0,0|1,0,1]=4 44 B7R1.2 CC1=CC(S)=CO1 HMDB0039798 [2,0,0,0,0,0|0,1,1]=4 45 B7R1.2 CC1=CC=C(C)N1 HMDB0032973 [2,0,0,0,0,0|1,0,1]=4 46 B7R1.2 CC1=CC=C(C)O1 HMDB0033182 [2,0,0,0,0,0|0,0,1]=3 47 B7R1.2 CC1=CC=C(C)S1 HMDB0032979 [2,0,0,0,0,0|0,1,1]=4 48 B7R1.2 CC1=CN=C(C)O1 HMDB0032969 [2,0,0,0,0,0|1,0,1]=4 49 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [2,0,0,0,0,0|1,0,0]=3 50 B7R1.4 CC1=C(S)C=CO1 HMDB0036611 [2,0,0,0,0,0|0,1,1]=4 51 B7R1.4 CC1=C(S)CCO1 HMDB0040580 [2,0,0,0,0,0|0,1,1]=4 52 B7R1.4 CC1=CCCC1=O HMDB0031545 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.4 CC1OCCC1=O HMDB0031178 [2,0,0,0,0,0|0,0,2]=4 54 B9R0.23 CSC(=O)C(C)OC(C)=O HMDB0036204 [0,1,1,0,0,0|2,0,0]=4 55 B9R1.22 CSC1=C(C)OC(C)=C1 HMDB0040198 [1,1,0,0,0,0|0,1,1]=4 56 B9R1.38 CC1=CC(=O)C(C)(C)C1 HMDB0040246 [1,1,0,0,0,0|1,0,0]=3 57 B9R1.132 CCC1=C(O)C(=N)CC1 HMDB0039583 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.132 CCC1=C(O)C(=O)CO1 HMDB0031847 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.1361 CC1=C(O)C(=O)CC(C)(C)C1 HMDB0036177 [0,1,0,0,0,1|1,0,0]=3 61 B11R1.1361 CC1=C(O)C(=O)CC(C)(C)C1 HMDB0036239 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.72 COC1=C(C)OCC(O)C1=O HMDB0036380 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.598 CCOC1=C(C)OC(C)C1=O HMDB0032232 [0,2,0,0,0,0|0,0,0]=2 64 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,0,1,1,0,0|2,0,0]=4 65 B9R1.3 CC1=C(O)C(=O)C=CO1 HMDB0030776 [0,0,1,1,0,0|0,0,2]=4