0 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.509 CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.6 CC(=O)C1=CN=CC=N1 HMDB0031861 [0,0,0,0,1,0|2,0,1]=4 13 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.6 OC(=O)C1=CC=CC=N1 HMDB0002243 [0,0,0,0,1,0|2,0,1]=4 18 B9R1.13 CC(C)CC1=NC=CS1 HMDB0031862 [0,0,0,0,1,0|1,0,0]=2 19 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.91 CC(C)COC1=CN=CC=N1 HMDB0032381 [0,0,0,0,0,1|1,0,0]=2 21 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [0,0,0,0,0,1|2,0,1]=4 22 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [0,0,0,0,0,1|2,0,0]=3 23 B8R0.4 CCC/C=C/C=C/C=O HMDB0031686 [1,0,1,0,0,0|1,0,0]=3 24 B8R0.4 CCC/C=C/C=C\CO HMDB0040151 [1,0,1,0,0,0|1,0,1]=4 25 B8R1.2 CCC1=CC=CN=C1 HMDB0029734 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.2 CCC1=CN=CC=N1 HMDB0031849 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.2 SCC1=CC=CC=C1 HMDB0029633 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.1 CCCC1=CC=C(O)C=C1 HMDB0032625 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.1 CCOC1=CC=C(O)C=C1 HMDB0032036 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.4 CCCC1=CC=CC=C1C HMDB0032627 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.4 CCCC1=CC=CC=C1O HMDB0032624 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.4 CCOC1=C(C)N=CC=N1 HMDB0031850 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.15 CC(CO)C1=CC=CC=C1 HMDB0031628 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.15 CCC(=O)C1=CC=CC=C1 HMDB0032623 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.15 CCC(O)C1=CC=CC=C1 HMDB0031627 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 NCC(O)C1=CC=CC=C1 HMDB0001065 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.17 CCOCC1=CC=CC=C1 HMDB0031312 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.17 COCCC1=CC=CC=C1 HMDB0032621 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 CC(C)C1=CC=C(C)CC1 HMDB0036995 [0,1,0,0,1,0|1,0,1]=4 43 B10R1.13 CC(C)C1=CC=C(O)C=C1 HMDB0031446 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.13 CC(C)C1CC=C(C)C=C1 HMDB0035850 [0,1,0,0,1,0|1,0,1]=4 45 B10R1.13 [C@@H]1(CC=C(C)C=C1)C(C)C HMDB0035851 [0,1,0,0,1,0|1,0,1]=4 46 B10R1.13 [C@H]1(CC=C(C)C=C1)C(C)C HMDB0034970 [0,1,0,0,1,0|1,0,1]=4 47 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 HMDB0001466 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [0,1,0,0,1,0|1,0,0]=3 49 B10R1.61 CC(C)C1=CC=CC=C1O HMDB0032029 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HMDB0032038 [0,1,0,0,0,1|1,0,1]=4 51 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.49 CC(CC1=CC=C(C)C=C1)C=O HMDB0031856 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.32 CCCC(O)CC1=CC=CC=C1 HMDB0031625 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.118 COC(CC1=CC=CC=C1)OC HMDB0032615 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.75 COC1=NC=CN=C1CC(C)C HMDB0031860 [0,2,0,0,0,0|1,0,0]=3 56 B10R2.7 C1=CC=C2C(OCC2)=C1 HMDB0013815 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.8 CSCC1=CSC=C1 HMDB0032429 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [1,0,0,0,1,0|2,0,0]=4