0 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,0,0,0,0|1,0,0]=2 2 B9R1.15 COC1=C(C)N=CC=N1 HMDB0031852 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,0,0,0,0|0,0,1]=2 5 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [0,1,0,0,0,0|0,0,1]=2 9 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.53 NC(=O)C1=C(N=CC=C1)CC HMDB0013704 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [0,0,1,0,0,0|2,0,0]=3 13 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [0,0,0,1,0,0|1,0,1]=3 14 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [0,0,0,1,0,0|2,0,0]=3 15 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [0,0,0,1,0,0|1,0,1]=3 18 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|0,0,0]=2 20 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 21 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|1,0,0]=3 22 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|1,0,1]=4 23 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [2,0,0,0,0,0|1,0,1]=4 25 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [2,0,0,0,0,0|1,0,0]=3 27 B10R0.71 CC/C=C\C/C=C/C=C/C=O HMDB0032213 [0,1,1,0,0,0|1,0,1]=4 28 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|0,0,2]=4 29 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|0,0,2]=4 30 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|0,0,1]=3 33 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|0,0,1]=3 38 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|0,0,2]=4 39 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|0,0,2]=4 41 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.75 COC1=CC=CC=C1OC(C)=O HMDB0032030 [0,2,0,0,0,0|0,0,1]=3 43 B12R1.77 COC(=O)C1=CC=CC=C1OC HMDB0032605 [0,2,0,0,0,0|0,0,1]=3 44 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,1,1,0,0|2,0,0]=4 45 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,1,1,0,0|2,0,0]=4 46 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,1,1,0,0|1,1,0]=4 47 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,0,1,1,0,0|1,0,0]=3 49 B10R1.172 COC1=CC(OC)=CC=C1 HMDB0029672 [0,0,1,1,0,0|1,0,1]=4 50 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|0,0,1]=3 51 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,1,0,0|1,0,0]=3 52 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,1,0,1,0,0|1,0,1]=4 53 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,1,0,1,0,0|1,0,1]=4 54 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,1,0,1,0,0|2,0,0]=4 55 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,1,0,1,0,0|1,0,1]=4 56 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HMDB0012138 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.11 CC1=C(SC=N1)C=C HMDB0031858 [1,0,0,0,1,0|2,0,0]=4