0 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.28 O=C/C=C/CC1=CC=CC=C1 HMDB0029602 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,0,0,0,0|0,0,2]=3 6 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,0|0,0,2]=3 9 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HMDB0040411 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HMDB0031250 [0,1,0,0,0,0|2,0,1]=4 12 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.25 COC(=O)/C=C/C1=CC=CO1 HMDB0032399 [0,0,0,0,1,0|1,0,0]=2 14 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,1,0|0,0,1]=2 16 B13R1.718 COC(=O)CCCC1=CC=CC=C1 HMDB0036385 [0,0,0,0,0,1|0,0,2]=3 17 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [2,0,0,0,0,0|0,0,2]=4 18 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [2,0,0,0,0,0|0,0,1]=3 20 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [1,1,0,0,0,0|0,0,0]=2 22 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [1,1,0,0,0,0|0,0,0]=2 23 B12R1.21 OC(=O)CCC1=CC=C(O)C=C1 HMDB0002199 [1,1,0,0,0,0|0,0,2]=4 24 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [1,1,0,0,0,0|0,0,0]=2 25 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.43 OC(=O)C(/O)=C/C1=CC=CC=C1 HMDB0012225 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [1,1,0,0,0,0|0,0,1]=3 28 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [1,1,0,0,0,0|0,0,2]=4 30 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [1,1,0,0,0,0|0,0,2]=4 31 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.51 CCOC(=O)/C=C\C1=CC=CO1 HMDB0041611 [0,1,0,0,1,0|1,0,0]=3 36 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000859 [0,1,0,0,0,1|0,0,1]=3 37 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 HMDB0031618 [0,1,0,0,0,1|0,0,2]=4 38 B14R1.5 CCC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030905 [0,2,0,0,0,0|1,0,0]=3 39 B14R1.5 COC(=O)/C=C/C1=CC=C(OC)C=C1 HMDB0030752 [0,2,0,0,0,0|0,0,0]=2 40 B14R1.156 C=CCOC(=O)COC1=CC=CC=C1 HMDB0031610 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.77 COC(=O)C1=CC=CC=C1OC HMDB0032605 [0,0,1,1,0,0|1,0,1]=4 42 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [0,0,1,1,0,0|2,0,0]=4 43 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HMDB0012138 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [1,0,0,1,0,0|1,0,0]=3 45 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [1,0,0,1,0,0|0,1,1]=4 46 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 HMDB0029758 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 HMDB0029688 [0,1,0,1,0,0|1,0,0]=3 48 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 HMDB0032412 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,1,0|1,0,0]=3 50 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,1,0|1,0,1]=4 51 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,1,0|0,0,1]=3 52 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,1,0|1,0,1]=4 53 B10R1.66 OC(=O)/C=C/C1=CNC=N1 HMDB0000301 [1,0,0,0,1,0|2,0,0]=4 54 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,0,0,2,0|1,0,0]=3 55 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [0,0,0,0,2,0|2,0,0]=4 56 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,0,0,2,0|1,0,0]=3 57 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,0,0,2,0|0,1,0]=3 58 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,0,0,0,2,0|2,0,0]=4