0 B8R1.1 CC1=CC=C(S1)C=O HMDB0032431 [0,0,0,0,0,0|0,1,2]=3 1 B8R1.1 CCC1=CC=C(C)O1 HMDB0029728 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.1 CCC1=CC=C(C)S1 HMDB0029733 [0,0,0,0,0,0|1,1,0]=2 3 B8R1.1 CCC1=CSC(C)=N1 HMDB0029731 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 CCC1=NC(C)=CS1 HMDB0029730 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 C=CC1=CC=CS1 HMDB0029726 [1,0,0,0,0,0|1,1,1]=4 6 B7R1.1 O=CC1=CC=CS1 HMDB0029717 [1,0,0,0,0,0|0,1,2]=4 7 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,0,0|0,0,0]=1 8 B7R1.1 SCC1=CC=CS1 HMDB0031853 [1,0,0,0,0,0|0,2,0]=3 9 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,0,0,0|0,0,2]=3 10 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [0,0,1,0,0,0|2,0,1]=4 12 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [0,0,1,0,0,0|1,0,2]=4 14 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [0,0,1,0,0,0|1,0,2]=4 15 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [0,0,1,0,0,0|2,0,1]=4 16 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [0,0,0,0,0,1|1,0,2]=4 17 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.1 CCC1=CN=C(C)C=C1 HMDB0029729 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.1 COC1=CC=C(C)C=C1 HMDB0032076 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [0,0,0,0,0,1|1,0,2]=4 23 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [1,0,1,0,0,0|2,0,0]=4 24 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [1,0,1,0,0,0|1,0,0]=3 26 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,1,0,0,0|0,0,2]=4 28 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,0,1,0,0,0|1,0,0]=3 29 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,1,0,0,0|0,0,2]=4 30 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,1,0,0,0|0,0,2]=4 31 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,1,0,0,0|0,0,2]=4 32 B6R1.2 CC1=CC=CO1 HMDB0013749 [2,0,0,0,0,0|0,0,0]=2 33 B6R1.2 O=C1OCC=C1 HMDB0032330 [2,0,0,0,0,0|0,0,2]=4 34 B6R1.2 SC1=CC=CS1 HMDB0029720 [2,0,0,0,0,0|0,2,0]=4 35 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [0,1,1,0,0,0|1,0,1]=4 36 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,1,1,0,0,0|2,0,0]=4 37 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [1,1,0,0,0,0|1,0,1]=4 38 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [1,1,0,0,0,0|0,0,1]=3 39 B8R1.18 CC1=CC(C)=C(C)O1 HMDB0029721 [1,1,0,0,0,0|0,0,0]=2 40 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,1,0,0,0,0|0,0,1]=3 41 B8R1.50 CN1C(C)=CC=C1C HMDB0029722 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.1 CC1=CC=C(CC=O)C=C1 HMDB0029639 [0,1,0,0,0,1|1,0,1]=4 43 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.3 OCC1=CC=C(C=C1)[N+]#N HMDB0032593 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.13 CC1=CC=C(C=C1)C(O)=O HMDB0029635 [0,1,0,0,0,1|1,0,1]=4 47 B10R1.16 CC1=CC=C(O1)/C=C/C=O HMDB0032400 [0,2,0,0,0,0|0,0,2]=4 48 B10R1.31 OCC1=CC=C(O1)C(O)=O HMDB0002432 [0,2,0,0,0,0|0,0,1]=3 49 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 HMDB0032159 [0,2,0,0,0,0|0,0,2]=4 50 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,0,1,1,0,0|1,0,1]=4 51 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [0,0,1,1,0,0|0,0,2]=4 52 B8R1.5 O[C@@H]1C=CC=C[C@H]1O HMDB0001164 [0,0,1,1,0,0|0,0,2]=4