0 B11R1.280 COC1=C(O)C=CC(CO)=C1 HMDB0032012 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.280 COC1=CC(C=C)=CC=C1O HMDB0013744 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.280 COC1=CC(C=O)=CC=C1O HMDB0012308 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.280 COC1=CC(CN)=CC=C1O HMDB0012309 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.30 COC1=C(O)C=CC(C)=C1 HMDB0032136 [1,0,0,0,0,0|0,0,1]=2 5 B10R1.30 COC1=CC(=O)C=CC1=O HMDB0032576 [1,0,0,0,0,0|0,0,1]=2 6 B10R1.30 OC1=CC(C=O)=C(O)C=C1 HMDB0004062 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.172 COC1=CC(C=O)=CC=C1 HMDB0031459 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.172 COC1=CC(OC)=CC=C1 HMDB0029672 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.176 NCC1=CC=C(O)C(O)=C1 HMDB0012153 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 HMDB0032138 [0,1,0,0,0,0|0,0,0]=1 11 B12R1.270 CCOC1=C(O)C=CC(C=O)=C1 HMDB0029665 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 HMDB0032135 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.286 COC1=C(O)C=CC(CC=O)=C1 HMDB0005175 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.286 COC1=C(O)C=CC(CCN)=C1 HMDB0000022 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.47 N/C(=C/C=C\C=O)C(O)=O HMDB0001280 [1,0,1,0,0,0|2,0,0]=4 16 B9R1.2 CC1=CC(C=O)=CC=C1 HMDB0029637 [2,0,0,0,0,0|0,0,0]=2 17 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [2,0,0,0,0,0|0,0,0]=2 18 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [2,0,0,0,0,0|0,1,0]=3 20 B9R1.69 CC1=CC(C)=C(C)C=C1 HMDB0013733 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.69 CC1=CC(O)=C(C)C=C1 HMDB0030540 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.69 CC1=CC=C(O)C(O)=C1 HMDB0000873 [2,0,0,0,0,0|0,0,1]=3 23 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [2,0,0,0,0,0|1,0,1]=4 24 B9R1.69 OC1=C(Br)C=C(Br)C=C1 HMDB0032079 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.69 OC1=C(O)C=C(Cl)C=C1 HMDB0041810 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.69 OC1=CC(=N)C=CC1=O HMDB0031713 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.69 OC1=CC=C(Cl)C=C1Cl HMDB0004811 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 CC1=CC=C(C=O)C=C1 HMDB0029638 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [2,0,0,0,0,0|1,0,1]=4 30 B9R1.1 COC1=CC=C(O)C=C1 HMDB0029696 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.1 NCC1=CC=C(O)C=C1 HMDB0032578 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.1 OC1=CC=C(C=C)C=C1 HMDB0004072 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.1 OC1=CC=C(C=O)C=C1 HMDB0011718 [2,0,0,0,0,0|0,0,0]=2 34 B9R1.1 OCC1=CC=C(O)C=C1 HMDB0011724 [2,0,0,0,0,0|0,0,2]=4 35 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 HMDB0032132 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.9 COC1=CC(CO)=CC(O)=C1 HMDB0030570 [1,1,0,0,0,0|0,0,2]=4 39 B11R1.266 COC1=CC=CC(=C1)C(O)=O HMDB0032606 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.14 CC1=CC(C=O)=CC(C)=C1C HMDB0032017 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 HMDB0029661 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.21 CC1=C(C)C=C(C=C1)C(O)=O HMDB0002237 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.21 CC1=CC(=CC=C1O)C(O)=O HMDB0004815 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.21 CN1C=C(C=CC1=O)C(N)=O HMDB0004193 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.21 OC1=CC=C(C=C1O)[N+]([O-])=O HMDB0002916 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.192 OC1=C(O)C=C(CC=O)C=C1 HMDB0003791 [1,1,0,0,0,0|0,0,0]=2 48 B13R1.49 COC1=C(O)C=CC(=C1)C(O)C=O HMDB0004061 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.49 COC1=CC(=CC=C1O)C(O)CN HMDB0000819 [0,2,0,0,0,0|0,0,2]=4 50 B13R1.49 COC1=CC(=CC=C1O)C(O)CO HMDB0001490 [0,2,0,0,0,0|0,0,2]=4 51 B13R1.386 COC1=C(OC)C=C(CC=C)C=C1 HMDB0031864 [0,2,0,0,0,0|1,0,0]=3 52 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 HMDB0041806 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC HMDB0029685 [0,2,0,0,0,0|0,0,0]=2 54 B13R1.52 COC1=CC(CC(O)=O)=CC=C1O HMDB0000118 [0,2,0,0,0,0|0,0,0]=2 55 B13R1.575 COC1=CC(/C=C/CO)=CC=C1O HMDB0012915 [0,2,0,0,0,0|0,0,1]=3 56 B13R2.430 OC(=O)C1=CC2=C(OCO2)C=C1 HMDB0032613 [0,1,0,1,0,0|0,0,0]=2