0 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,0,0,0,0|0,0,0]=1 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|0,0,1]=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|0,1,0]=2 6 B9R1.15 OC1=C(COC=C1)C=O HMDB0031256 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.53 CCC1=NC=CN=C1C(C)=O HMDB0029410 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.53 NC(=O)C1=C(N=CC=C1)CC HMDB0013704 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.45 CC/C=C\C/C=C\CC=O HMDB0031152 [0,0,1,0,0,0|1,0,2]=4 14 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [0,0,1,0,0,0|1,0,0]=2 15 B9R0.45 CC/C=C\CC/C=C\C=O HMDB0031261 [0,0,1,0,0,0|1,0,2]=4 16 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,1,0,0|2,0,0]=3 19 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,0,0,1,0,0|1,0,2]=4 20 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [0,0,0,1,0,0|2,0,1]=4 22 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|0,0,2]=4 23 B8R1.2 C=CC1=CC=CC=C1 HMDB0032178 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.2 O=CC1=CC=CC=C1 HMDB0006115 [2,0,0,0,0,0|0,0,0]=2 26 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|0,1,1]=4 27 B8R1.5 CC1=C(S)C=CC=C1 HMDB0029634 [2,0,0,0,0,0|0,1,0]=3 28 B8R1.5 O=C1C=CC=CC1=O HMDB0012133 [2,0,0,0,0,0|0,0,1]=3 29 B8R1.5 OC1=CC=CC=C1Br HMDB0032059 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.5 OC1=CC=CC=C1O HMDB0000957 [2,0,0,0,0,0|0,0,1]=3 31 B10R0.71 CC/C=C\C/C=C/C=C/C=O HMDB0032213 [0,1,1,0,0,0|1,0,0]=3 32 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.25 CC1=CC(C)=C(C=O)C=C1 HMDB0032142 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.25 CC1=CC(O)=C(C=O)C=C1 HMDB0032603 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.25 COC1=C(C)C=C(C)C=C1 HMDB0032149 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,1,0,0,0,0|0,0,1]=3 38 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.61 CC(=O)C1=NC=CN=C1C HMDB0030001 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.39 CCN1C=CC=C1C(C)=O HMDB0029759 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.57 COC1=C(C=CC(C)=C1)C(C)C HMDB0035989 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.75 COC1=CC=CC=C1OC(C)=O HMDB0032030 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.77 COC(=O)C1=CC=CC=C1OC HMDB0032605 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.283 OC(=O)C1=CC=CC=C1NC=O HMDB0004089 [0,2,0,0,0,0|1,0,1]=4 51 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [0,0,1,1,0,0|2,0,0]=4 53 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|0,0,1]=3 54 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,1,0,0|1,0,1]=4 55 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,1,0,1,0,0|1,0,1]=4 56 B12R2.196 OC1=CC=CC2=C1COC2=O HMDB0032598 [0,1,0,1,0,0|2,0,0]=4