0 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.66 OC(=O)CCC1=CN=CN1 HMDB0002271 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.25 COC(=O)/C=C/C1=CC=CO1 HMDB0032399 [0,1,0,0,0,0|0,0,2]=3 3 B9R0.2 C/C=C/C=C/COC(C)=O HMDB0032311 [0,0,1,0,0,0|2,0,0]=3 4 B9R1.13 OC(=O)CC1=CN=CN1 HMDB0002024 [0,0,0,0,1,0|3,0,0]=4 5 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [0,0,0,0,0,1|1,0,2]=4 6 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [0,0,0,0,0,1|2,0,0]=3 7 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,0,0,0,1|1,0,2]=4 8 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,0,0,0,1|2,0,0]=3 9 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,0,0,0,0,1|3,0,0]=4 10 B11R1.172 CC(=O)NCCC1=CN=CN1 HMDB0013253 [0,0,0,0,0,1|2,0,0]=3 11 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,0,1,0,0,0|0,0,2]=4 12 B8R1.8 O=CCC1=CN=CN1 HMDB0003905 [2,0,0,0,0,0|2,0,0]=4 13 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [0,1,1,0,0,0|2,0,0]=4 14 B10R0.74 COC(=O)CC/C=C/CC=C HMDB0040285 [0,1,1,0,0,0|1,0,1]=4 15 B10R1.16 CC1=CC=C(O1)/C=C/C=O HMDB0032400 [1,1,0,0,0,0|0,0,2]=4 16 B10R1.21 CCCCCC1=CC=CO1 HMDB0013824 [1,1,0,0,0,0|0,0,1]=3 17 B10R1.21 CCCCCC1=CC=CO1 HMDB0031084 [1,1,0,0,0,0|0,0,1]=3 18 B10R1.27 NC(CC1=CNC=N1)C=O HMDB0012234 [1,1,0,0,0,0|2,0,0]=4 19 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,1,0,0,0,1|1,0,0]=3 22 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,1,0,0,0,1|1,0,0]=3 23 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,1,0,0,0,1|2,0,0]=4 24 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,1,0,0,0,1|2,0,0]=4 25 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.54 CC(=O)CCC(O)C1=COC=C1 HMDB0030473 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.54 OC(=O)CNC(=O)C1=CC=CO1 HMDB0000439 [0,1,0,0,0,1|1,0,1]=4 30 B12R1.51 CCOC(=O)/C=C\C1=CC=CO1 HMDB0041611 [0,2,0,0,0,0|0,0,2]=4 31 B12R1.51 CCOC(=O)CCC1=CC=CO1 HMDB0032921 [0,2,0,0,0,0|0,0,0]=2 32 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,0,1,1,0,0|0,0,2]=4 33 B8R1.7 OC(=O)C1=CC=CN1 HMDB0004230 [0,0,0,0,2,0|2,0,0]=4 34 B8R1.7 OC(=O)C1=CC=CO1 HMDB0000617 [0,0,0,0,2,0|1,0,0]=3 35 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,0,0,0,0,1|2,0,0]=4 36 B12R1.252 OC(=O)CCCC1=CC=CC=C1 HMDB0000543 [0,0,0,0,0,2|2,0,0]=4 37 B12R1.252 OC(=O)CCCC1=CC=CN=C1 HMDB0001007 [0,0,0,0,0,2|2,0,0]=4