0 B11R2.1 C=C1C=NC2=CC=CC=C12 HMDB0011664 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 CC1=CNC2=C1C=CC=C2 HMDB0000466 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.1 OC1=CNC2=CC=CC=C12 HMDB0004094 [0,0,0,0,0,0|2,0,0]=2 4 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,0,0,0|1,0,1]=3 5 B10R2.7 N1C=CC2=C1C=CC=C2 HMDB0000738 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.1 NCC1=CNC2=CC=CC=C12 HMDB0029740 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.1 O=CC1=CNC2=C1C=CC=C2 HMDB0029737 [0,1,0,0,0,0|2,0,1]=4 8 B12R2.196 OC1=CC=CC2=C1COC2=O HMDB0032598 [0,1,0,0,0,0|2,0,1]=4 9 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [0,0,1,0,0,0|2,0,1]=4 10 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,1,0,0,0|2,0,1]=4 13 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [0,0,1,0,0,0|2,0,1]=4 14 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [0,0,1,0,0,0|2,0,1]=4 15 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [0,0,1,0,0,0|2,0,1]=4 16 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [0,0,1,0,0,0|2,0,1]=4 17 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.20 COC1=CC=CC=C1OC HMDB0032139 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.61 CC(=O)C1=CC=CC=C1N HMDB0032630 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.61 CC(=O)C1=CC=CC=C1O HMDB0032568 [0,0,1,0,0,0|1,0,1]=3 21 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [0,0,1,0,0,0|2,0,1]=4 22 B10R1.61 OC(=O)C1=C(O)C=CC=N1 HMDB0013188 [0,0,1,0,0,0|2,0,0]=3 23 B12R2.24 OC1=CC2=CC=CC=C2C=C1 HMDB0012322 [0,0,0,0,0,1|2,0,0]=3 24 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 HMDB0029689 [0,0,0,0,0,1|2,1,0]=4 25 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 HMDB0012138 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,1,0,0,0|1,0,1]=4 27 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [1,0,1,0,0,0|0,0,2]=4 28 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [1,0,1,0,0,0|1,0,1]=4 29 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [1,0,1,0,0,0|1,0,1]=4 30 B9R1.8 C=CSC1=CC=CC=C1 HMDB0031825 [1,0,1,0,0,0|1,1,0]=4 31 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,1,0,0,0|1,0,1]=4 32 B9R1.15 CC1=CC=CC=C1C=O HMDB0029636 [1,0,1,0,0,0|1,0,1]=4 33 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,0,1,0,0,0|1,0,0]=3 34 B9R1.15 COC1=CC=CC=C1C HMDB0032074 [1,0,1,0,0,0|1,0,1]=4 35 B9R1.15 COC1=CC=CC=C1S HMDB0032571 [1,0,1,0,0,0|1,1,0]=4 36 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [0,1,1,0,0,0|1,0,1]=4 37 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [0,1,1,0,0,0|1,0,1]=4 38 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [0,1,1,0,0,0|1,0,0]=3 43 B11R1.53 CNC1=CC=CC=C1C(O)=O HMDB0032609 [0,1,1,0,0,0|2,0,0]=4 44 B11R1.53 COC1=CC=CC=C1C(C)=O HMDB0032569 [0,1,1,0,0,0|1,0,1]=4 45 B11R1.53 COC1=CC=CC=C1C(O)=O HMDB0032604 [0,1,1,0,0,0|1,0,0]=3 46 B11R1.53 OCC1=CC=CC=C1C(O)=O HMDB0032594 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.156 CC(=O)C1=C(O)C=CC=C1O HMDB0029660 [0,1,1,0,0,0|1,0,1]=4 48 B11R1.156 OC(=O)C1=C(O)C=CC=C1O HMDB0013676 [0,1,1,0,0,0|1,0,0]=3 49 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 HMDB0029658 [0,1,1,0,0,0|1,0,1]=4 50 B11R1.159 NC1=C(O)C=CC=C1C(O)=O HMDB0001476 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.159 OC(=O)C1=C(O)C(O)=CC=C1 HMDB0000397 [0,1,1,0,0,0|1,0,0]=3 52 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 HMDB0029659 [0,1,1,0,0,0|1,0,1]=4 53 B11R1.166 OC(=O)C1=C(O)C=C(O)C=C1 HMDB0029666 [0,1,1,0,0,0|1,0,0]=3 54 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 HMDB0032592 [0,1,1,0,0,0|1,0,1]=4 55 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 HMDB0032629 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 HMDB0000152 [0,1,1,0,0,0|1,0,0]=3 57 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,1,0,0,0,1|1,0,0]=3 59 B13R2.1 OCCC1=CNC2=CC=CC=C12 HMDB0003447 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [0,0,1,0,0,1|1,0,0]=3 61 B13R2.33 O=C1CCC2=CC=CC=C2OC1 HMDB0029714 [0,0,0,0,0,2|1,0,1]=4