0 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,0,0,0,0,0|1,0,3]=4 1 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,0,0,0,0,0|1,1,2]=4 2 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [1,0,0,0,0,0|1,0,2]=4 3 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.155 OC1=CC2=C(C=C1)C=CC(=O)O2 HMDB0029865 [0,1,0,0,0,0|0,0,2]=3 5 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,1,0,0,0,0|0,0,2]=3 6 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [0,1,0,0,0,0|0,0,2]=3 7 B11R1.17 OC1=CC=CC=C1/C=C/C=O HMDB0031725 [0,0,1,0,0,0|0,0,2]=3 8 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.86 CC(=O)OC1=CC=CC=C1C HMDB0032073 [0,0,1,0,0,0|0,0,0]=1 10 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [0,0,1,0,0,0|1,0,2]=4 13 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [0,0,1,0,0,0|2,0,0]=3 14 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,1,0,0,0|1,0,1]=3 15 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [0,0,1,0,0,0|0,0,2]=3 16 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [0,0,1,0,0,0|0,0,2]=3 17 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,0,1,0,0,0|0,0,0]=1 18 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,0,1,0,0,0|1,0,0]=2 19 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [0,0,0,0,1,0|2,0,1]=4 20 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [0,0,0,0,1,0|2,0,1]=4 21 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,0,1,0|1,0,0]=2 22 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,0,0,0,1,0|1,0,2]=4 23 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [0,0,0,0,1,0|2,0,0]=3 24 B11R2.10 S=C1NC2=C(S1)C=CC=C2 HMDB0030524 [0,0,0,0,1,0|1,2,0]=4 25 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,0,0,1|0,0,0]=1 26 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [1,0,1,0,0,0|0,0,2]=4 29 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,0,1,0,0,0|0,0,1]=3 33 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,1,0,0,0|1,0,0]=3 35 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [0,1,1,0,0,0|0,0,2]=4 38 B12R1.374 CCCCC1=C(O)C=CC(C)=C1 HMDB0032060 [0,1,1,0,0,0|1,0,1]=4 39 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,1,1,0,0,0|1,0,0]=3 40 B12R1.75 COC1=CC=CC=C1OC(C)=O HMDB0032030 [0,1,1,0,0,0|1,0,0]=3 41 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,1,1,0,0,0|2,0,0]=4 42 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,1,1,0,0,0|0,0,0]=2 43 B12R1.107 CC(CC(O)=O)C1=CC=CC=C1 HMDB0001955 [0,1,1,0,0,0|0,0,0]=2 44 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,1,1,0,0,0|1,0,1]=4 46 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,1,0,0,1,0|1,0,1]=4 47 B12R2.196 OC1=CC=CC2=C1COC2=O HMDB0032598 [0,1,0,0,1,0|1,0,0]=3 48 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 HMDB0029758 [0,2,0,0,0,0|0,0,2]=4 49 B14R2.8239 OC1=C(O)C=C2C=CC(=O)OC2=C1 HMDB0030819 [0,2,0,0,0,0|0,0,2]=4 50 B10R0.74 CCC(=O)OC/C=C/C=C/C HMDB0032314 [0,0,2,0,0,0|0,0,2]=4 51 B10R0.74 COC(=O)CC/C=C/CC=C HMDB0040285 [0,0,2,0,0,0|0,0,2]=4 52 B10R0.71 CC/C=C\C/C=C/C=C/C=O HMDB0032213 [0,0,2,0,0,0|1,0,1]=4 53 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,1,0,1,0|0,0,0]=2 54 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [0,0,1,0,1,0|0,0,2]=4 55 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [0,0,1,0,1,0|2,0,0]=4 56 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,1,0,1,0|2,0,0]=4 57 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,1,0,1,0|1,0,0]=3 58 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,0,1,0,1,0|1,0,0]=3 59 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [0,0,1,0,1,0|1,0,0]=3 60 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,0,1,0,1,0|1,0,0]=3 61 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [0,0,1,0,1,0|2,0,0]=4 62 B10R1.64 CC(=O)SC1=C(C)OC=C1 HMDB0032160 [0,0,1,0,1,0|1,1,0]=4 63 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [0,0,1,0,1,0|2,0,0]=4 64 B10R1.66 OC(=O)CCC1=CN=CN1 HMDB0002271 [0,0,1,0,1,0|2,0,0]=4 65 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,0,1,0|0,0,0]=2 66 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.252 OC(=O)C/C=C/C1=CN=CC=C1 HMDB0001424 [0,0,1,0,0,1|1,0,1]=4 68 B12R1.252 OC(=O)CCCC1=CC=CC=C1 HMDB0000543 [0,0,1,0,0,1|0,0,0]=2 69 B12R1.252 OC(=O)CCCC1=CC=CN=C1 HMDB0001007 [0,0,1,0,0,1|1,0,0]=3