0 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,0,0,0,0,0|0,1,0]=1 1 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.20 C1=CC2=CC=CC=C2C=C1 HMDB0029751 [1,0,0,0,0,0|0,0,0]=1 3 B13R2.155 OC1=CC2=C(C=C1)C=CC(=O)O2 HMDB0029865 [0,1,0,0,0,0|1,1,0]=3 4 B13R2.162 OC1=CC2=C(O)C=CN=C2C=C1 HMDB0004077 [0,1,0,0,0,0|1,1,0]=3 5 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,1,0,0,0,0|1,1,0]=3 6 B13R2.3683 CC1=CC2=C(OC(=O)C=C2)C=C1 HMDB0032394 [0,1,0,0,0,0|1,1,0]=3 7 B11R1.1 CC1=CC=C(/C=C/C=O)C=C1 HMDB0029640 [0,0,1,0,0,0|2,0,0]=3 8 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [0,0,1,0,0,0|1,1,1]=4 9 B11R1.17 OC1=CC=CC=C1/C=C/C=O HMDB0031725 [0,0,1,0,0,0|1,1,0]=3 10 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,0,1,0,0,0|2,0,0]=3 11 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [0,0,1,0,0,0|0,1,1]=3 12 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [0,0,1,0,0,0|0,1,2]=4 13 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [0,0,1,0,0,0|1,1,0]=3 14 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [0,0,1,0,0,0|1,1,0]=3 15 B13R3.28 O1C2C=CC3=CC=CC=C3C12 HMDB0006215 [0,0,0,1,0,0|0,1,2]=4 16 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [0,0,0,0,1,0|2,0,0]=3 17 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [0,0,0,0,1,0|2,0,0]=3 18 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,0,1,0|1,1,1]=4 19 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,0,0,0,1,0|1,1,0]=3 20 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [0,0,0,0,1,0|3,0,0]=4 21 B11R2.10 S=C1NC2=C(S1)C=CC=C2 HMDB0030524 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.1 C/C=C\C1=CC=C(O)C=C1 HMDB0030839 [1,0,1,0,0,0|0,1,1]=4 23 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [1,0,1,0,0,0|0,1,0]=3 24 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,0,1,0,0,0|0,1,1]=4 25 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,0,1,0,0,0|0,1,1]=4 26 B12R1.21 OC(=O)/C=C/C1=CC=C(O)C=C1 HMDB0002035 [0,1,1,0,0,0|1,1,0]=4 27 B12R1.21 OC(=O)/C=C\C1=CC=C(O)C=C1 HMDB0030677 [0,1,1,0,0,0|1,1,0]=4 28 B12R1.71 COC1=CC=C(/C=C/C=O)C=C1 HMDB0032611 [0,1,1,0,0,0|1,1,0]=4 29 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [0,1,1,0,0,0|1,1,0]=4 30 B12R1.226 OC(=O)/C=C/C1=CC=CC(O)=C1 HMDB0001713 [0,1,1,0,0,0|1,1,0]=4 31 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,1,1,0,0,0|1,0,1]=4 32 B12R1.43 OC(=O)C(/O)=C/C1=CC=CC=C1 HMDB0012225 [0,1,1,0,0,0|1,1,0]=4 33 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HMDB0012138 [1,1,0,0,0,0|0,0,0]=2 34 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,1,0,0,1,0|2,0,0]=4 35 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,1,0,0,1,0|1,1,0]=4 36 B12R2.100 O=C1C=C2NC=CC2=CC1=O HMDB0006779 [0,1,0,0,1,0|1,1,0]=4 37 B12R2.100 OC1=C(O)C=C2C=CNC2=C1 HMDB0004058 [0,1,0,0,1,0|1,1,0]=4 38 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O HMDB0001892 [0,2,0,0,0,0|1,0,0]=3 39 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 HMDB0029688 [0,2,0,0,0,0|0,1,0]=3 40 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 HMDB0029758 [0,2,0,0,0,0|1,1,0]=4 41 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 HMDB0032412 [0,2,0,0,0,0|0,1,0]=3 42 B14R2.781 OC(=O)C1=NC2=C(C=CC=C2)C=C1 HMDB0000842 [0,2,0,0,0,0|1,1,0]=4 43 B14R2.1019 O=CC1=CC2=CC=CC=C2C(=O)O1 HMDB0030577 [0,2,0,0,0,0|1,1,0]=4 44 B14R2.8239 OC1=C(O)C=C2C=CC(=O)OC2=C1 HMDB0030819 [0,2,0,0,0,0|1,1,0]=4 45 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,0,1,0|1,0,0]=3