0 B11R1.40 C/C(C=O)=C/C1=CC=CC=C1 HMDB0031566 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 CCCCC1=CN=CC=C1 HMDB0032934 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 CSSCC1=CC=CC=C1 HMDB0040590 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 N#CCCC1=CC=CC=C1 HMDB0034236 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 N#CSCC1=CC=CC=C1 HMDB0034273 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 O=CCCC1=CC=CC=C1 HMDB0033716 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 O=COCC1=CC=CC=C1 HMDB0041485 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 OCCCC1=CC=CC=C1 HMDB0033962 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 OCCOC1=CC=CC=C1 HMDB0041607 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 S=C=NCC1=CC=CC=C1 HMDB0033969 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 CC(=O)OC1=CC=CC=C1 HMDB0040733 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(C)CC1=CC=CC=N1 HMDB0037291 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.18 CC(C)CC1=CN=CC=C1 HMDB0037287 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.32 CCOC(=O)CC1=CC=CC=C1 HMDB0032618 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.43 CC(=O)C(/C)=C\C1=CC=CC=C1 HMDB0031567 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.43 CC(=O)C(O)CC1=CC=CC=C1 HMDB0032336 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(O)=O HMDB0000159 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.118 COC(CC1=CC=CC=C1)OC HMDB0032615 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.371 CC(CC1=CC=CC=C1C)C=O HMDB0040245 [0,1,0,0,0,0|2,0,0]=3 24 B12R2.18 CC1=C(C)C2=CC=CC=C2O1 HMDB0033176 [0,0,0,1,0,0|2,0,1]=4 25 B12R2.18 CC1C(O)CC2=CC=NC=C12 HMDB0030175 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.15 CC(C=O)C1=CC=CC=C1 HMDB0031626 [0,0,0,0,1,0|2,0,0]=3 27 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [0,0,0,0,1,0|2,0,0]=3 28 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.15 COC(=O)C1=CC=CC=C1 HMDB0033968 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.15 CSC(=O)C1=CC=CC=C1 HMDB0029694 [0,0,0,0,1,0|2,0,1]=4 32 B10R1.15 OC(C#N)C1=CC=CC=C1 HMDB0034666 [0,0,0,0,1,0|3,0,0]=4 33 B12R1.27 CC(CCC1=CC=CC=C1)C=O HMDB0032415 [0,0,0,0,0,1|2,0,0]=3 34 B12R1.27 CCC(=O)OCC1=CC=CC=C1 HMDB0030063 [0,0,0,0,0,1|2,0,1]=4 35 B12R1.27 COC(=O)CCC1=CC=CC=C1 HMDB0030060 [0,0,0,0,0,1|2,0,1]=4 36 B9R0.45 CCCC/C=C/C=C\C=O HMDB0031685 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 CCCC1=CN=CC=N1 HMDB0041571 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 CSSC1=CC=CC=C1 HMDB0040939 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 N#CCC1=CC=CC=C1 HMDB0034171 [2,0,0,0,0,0|0,0,2]=4 42 B9R1.8 OCCC1=CC=CC=C1 HMDB0033944 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.1 CCOCC1=CC=C(O)C=C1 HMDB0039956 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.1 OCCCC1=CC=C(O)C=C1 HMDB0032599 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.17 CCOCC1=CC=CC=C1O HMDB0040449 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 CCCCCC1=CN=CC=C1 HMDB0034886 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.28 CCCCCC1=NC=CC=C1 HMDB0034893 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.28 O=COCCC1=CC=CC=C1 HMDB0040428 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.28 S=C=NCCC1=CC=CC=C1 HMDB0038445 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.86 CC(C)CC1=C(C)N=CC=N1 HMDB0036174 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.509 CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.12 COC(OC)C1=CC=CC=C1 HMDB0041326 [0,1,0,0,1,0|1,0,0]=3 57 B11R1.22 CC(C=O)C1=CC=C(C)C=C1 HMDB0033382 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.22 CC(CO)C1=CC=C(C)C=C1 HMDB0034846 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [0,1,0,0,0,1|1,0,0]=3 60 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 HMDB0031568 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.1327 CC(C)(CC1=CC=CC=C1)OC=O HMDB0036235 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.86 COC(OC)C(C)C1=CC=CC=C1 HMDB0032468 [0,2,0,0,0,0|1,0,0]=3 63 B13R2.10 CC1COC(O1)C2=CC=CC=C2 HMDB0037160 [0,0,0,1,0,1|2,0,0]=4 64 B9R1.12 CCCCC1=CC=CO1 HMDB0040272 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.6 CC(=O)C1=CC=CC=C1 HMDB0033910 [1,0,0,0,1,0|1,0,1]=4 66 B9R1.6 CC(C)C1=CC=CC=C1 HMDB0034029 [1,0,0,0,1,0|0,0,0]=2 67 B9R1.6 CC(C)C1=CN=CC=N1 HMDB0041570 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,1,0|1,0,0]=3 69 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,1,0|1,0,0]=3 70 B9R1.13 CC(C)CC1=NC=CS1 HMDB0031862 [1,0,0,0,1,0|2,0,0]=4