0 B11R1.16 CNCC(O)C1=CC=CC=C1 HMDB0001387 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,0,0,0,0,0|0,0,2]=3 4 B10R1.15 CNC(=O)C1=CN=CC=C1 HMDB0003152 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.15 COC(=O)C1=CN=CC=C1 HMDB0029806 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [1,0,0,0,0,0|0,1,0]=2 7 B10R1.15 NCC(=O)C1=CC=CC=C1 HMDB0032628 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,0,0,0,0,0|0,0,1]=2 10 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 O=C/C=C\C1=CC=CC=C1 HMDB0032072 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 OC/C=C/C1=CC=CC=C1 HMDB0029698 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 OCC=CC1=CC=CC=C1 HMDB0029697 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HMDB0032573 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HMDB0031208 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HMDB0031761 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HMDB0032038 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.107 CC(OC(C)=O)C1=CC=CC=C1 HMDB0032620 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 HMDB0029817 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.308 NCCC(=O)C1=C(N)C=CC=C1 HMDB0012246 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.2 C1CN=C(C1)C2=CN=CC=C2 HMDB0030386 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,0,0,0,0,1|1,0,2]=4 23 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,0,0,0,0,1|0,0,0]=1 24 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [1,0,1,0,0,0|0,0,1]=3 25 B9R0.45 CC/C=C\C=C/C=C\C=O HMDB0032441 [1,0,1,0,0,0|2,0,0]=4 26 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [2,0,0,0,0,0|0,0,2]=4 29 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [2,0,0,0,0,0|0,1,1]=4 30 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 NC(=O)C1=CC=CC=C1 HMDB0004461 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 OC(=O)C1=CN=CC=C1 HMDB0001488 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|0,1,1]=4 37 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [2,0,0,0,0,0|1,0,1]=4 38 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [2,0,0,0,0,0|1,0,1]=4 39 B11R0.4 CCOC(=O)CC/C=C/CC=C HMDB0031156 [0,1,1,0,0,0|0,0,2]=4 40 B11R1.7 COP(O)(=O)C1=CC=CC=C1 HMDB0031868 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.22 COC(=O)C1=CC=C(O)C=C1 HMDB0032572 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.22 OCC(=O)C1=CC=C(O)C=C1 HMDB0029657 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.36 OC(=O)C(=O)C1=CC=CC=C1 HMDB0001587 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.222 COC(=O)C1=CC=CC=C1N HMDB0029703 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.1 OC/C=C/C1=CC=C(O)C=C1 HMDB0003654 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.91 CC(=O)/C=C/C1=CC=CC=C1 HMDB0031617 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,1,0,0,0,0|0,0,2]=4 48 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HMDB0031569 [0,1,0,0,0,1|1,0,0]=3 51 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 HMDB0032574 [0,2,0,0,0,0|0,0,0]=2 52 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 HMDB0032640 [0,2,0,0,0,0|0,0,0]=2 53 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 HMDB0032128 [0,2,0,0,0,0|1,0,0]=3 54 B13R1.446 NCCC(=O)C1=C(N)C=CC(O)=C1 HMDB0004076 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 HMDB0001240 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 HMDB0000714 [0,2,0,0,0,0|1,0,1]=4 57 B11R2.1 O=C1OCC2=CC=CC=C12 HMDB0032469 [1,0,0,1,0,0|0,0,0]=2 58 B11R2.20 C1CC2=C(CN1)C=CC=C2 HMDB0012489 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.11 CCC(=O)C1=CC=CN1 HMDB0032492 [1,0,0,0,1,0|1,0,0]=3 60 B9R1.11 COC(=O)C1=CC=CO1 HMDB0029750 [1,0,0,0,1,0|1,0,0]=3 61 B9R1.11 COC(=O)C1=CC=CS1 HMDB0029719 [1,0,0,0,1,0|1,0,0]=3 62 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 HMDB0040411 [0,0,0,0,0,2|0,0,0]=2