0 B13R2.435 OC(=O)C1=CC2=C(N1)C=CC=C2 HMDB0002285 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,0,1,0,0,0|2,0,0]=3 2 B12R1.43 OC(=O)C(/O)=C/C1=CC=CC=C1 HMDB0012225 [0,0,1,0,0,0|1,0,0]=2 3 B12R1.43 OC(=O)C(=O)CC1=CC=CC=C1 HMDB0000205 [0,0,1,0,0,0|1,0,1]=3 4 B12R1.43 OC(CC1=CC=CC=C1)C(O)=O HMDB0000779 [0,0,1,0,0,0|1,0,2]=4 5 B12R1.43 O[C@H](CC1=CC=CC=C1)C(O)=O HMDB0000748 [0,0,1,0,0,0|1,0,2]=4 6 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(O)=O HMDB0000563 [0,0,1,0,0,0|1,0,2]=4 7 B12R1.125 OC(=O)/C=C/C1=CC=CC=C1O HMDB0002641 [0,0,1,0,0,0|1,0,0]=2 8 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 HMDB0032412 [0,0,0,0,0,1|2,0,0]=3 9 B14R2.781 OC(=O)C1=NC2=C(C=CC=C2)C=C1 HMDB0000842 [0,0,0,0,0,1|0,0,1]=2 10 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [1,0,1,0,0,0|1,0,0]=3 11 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,0,1,0,0,0|1,0,0]=3 12 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,1,0,0,0|1,0,1]=4 13 B11R1.91 OC(=O)/C=C/C1=CC=CC=C1 HMDB0000930 [1,0,1,0,0,0|0,0,0]=2 14 B11R1.91 OC(=O)/C=C\C1=CC=CC=C1 HMDB0000567 [1,0,1,0,0,0|0,0,0]=2 15 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,1,0,0,0|0,0,2]=4 16 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,1,0,0,0|1,0,1]=4 17 B11R1.17 OC1=CC=CC=C1/C=C/C=O HMDB0031725 [1,0,1,0,0,0|1,0,0]=3 18 B11R2.10 S=C1NC2=C(S1)C=CC=C2 HMDB0030524 [2,0,0,0,0,0|1,1,0]=4 19 B13R1.133 NC(CC1=CC=C(N)C=C1)C(O)=O HMDB0030397 [0,1,1,0,0,0|0,0,2]=4 20 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(O)=O HMDB0000158 [0,1,1,0,0,0|0,0,2]=4 21 B13R1.133 OC(=O)C(/O)=C/C1=CC=C(O)C=C1 HMDB0006915 [0,1,1,0,0,0|1,0,0]=3 22 B13R1.133 OC(=O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [0,1,1,0,0,0|1,0,1]=4 23 B13R1.148 OC(=O)C(=O)CC1=CC(O)=CC=C1 HMDB0011663 [0,1,1,0,0,0|1,0,1]=4 24 B13R1.152 N[C@@H](C(O)C1=CC=CC=C1)C(O)=O HMDB0002184 [0,1,1,0,0,0|0,0,2]=4 25 B13R1.202 NC(CC1=CC=CC=C1O)C(O)=O HMDB0006050 [0,1,1,0,0,0|0,0,2]=4 26 B13R1.150 OC(=O)C=CC1=C(O)C(O)=CC=C1 HMDB0032057 [0,1,1,0,0,0|1,0,0]=3 27 B15R2.1569 COC(=O)NC1=NC2=CC=CC=C2N1 HMDB0031769 [0,1,0,0,0,1|1,0,0]=3 28 B15R2.14951 OC(=O)C1=CC(=O)C2=CC=CC=C2N1 HMDB0000715 [0,1,0,0,0,1|0,0,0]=2 29 B15R2.1102 OC(=O)C1=CC2=C(N1)C=C(O)C(O)=C2 HMDB0001253 [0,2,0,0,0,0|0,0,0]=2 30 B15R2.1102 OC(=O)C1CC2=CC(=O)C(=O)C=C2N1 HMDB0011622 [0,2,0,0,0,0|0,0,2]=4 31 B15R2.1102 OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2N1 HMDB0004067 [0,2,0,0,0,0|0,0,2]=4 32 B15R2.1102 OC(=O)[C@H]1NC2=CC(=O)C(=O)CC2=C1 HMDB0001430 [0,2,0,0,0,0|0,0,2]=4 33 B15R2.1102 [O]C1=C(O)C=C2N[C@H](CC2=C1)C(O)=O HMDB0012931 [0,2,0,0,0,0|0,0,2]=4 34 B13R2.369 OC1=CC2=CC=CC=C2OC1=O HMDB0002149 [0,0,1,1,0,0|1,0,0]=3 35 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [0,0,1,0,1,0|0,0,2]=4 36 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [0,0,1,0,1,0|0,0,1]=3 37 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [0,0,1,0,1,0|1,0,0]=3 38 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [0,0,1,0,1,0|1,0,1]=4 39 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [0,0,1,0,1,0|1,0,1]=4 40 B15R2.1660 OC(=O)/C=C/C1=CC2=C(N1)C=CC=C2 HMDB0000734 [0,0,0,0,0,2|0,0,0]=2