0 B11R1.509 CC(C)(O)CC1=CC=CC=C1 HMDB0031570 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.18 CC(=O)NC1=CC=CC=C1 HMDB0001250 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.18 NC(=O)CC1=CC=CC=C1 HMDB0010715 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.18 OC(=O)CC1=CC=CC=C1 HMDB0000209 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.18 OC(=O)CC1=CN=CC=C1 HMDB0001538 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 HMDB0001466 [0,0,0,0,1,0|1,0,1]=3 6 B10R1.28 [CH2]C(C)(C)C1=CC=CC=C1 HMDB0031788 [0,0,0,0,1,0|1,0,0]=2 7 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 HMDB0031866 [0,0,0,0,0,1|0,0,0]=1 8 B9R1.8 CCCC1=CC=CC=N1 HMDB0032497 [2,0,0,0,0,0|1,0,0]=3 9 B9R1.8 CSCC1=CC=CC=C1 HMDB0031314 [2,0,0,0,0,0|1,0,0]=3 10 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [2,0,0,0,0,0|1,0,0]=3 11 B9R1.8 O=CCC1=CC=CC=C1 HMDB0006236 [2,0,0,0,0,0|0,0,2]=4 12 B9R1.8 SCCC1=CC=CC=C1 HMDB0032637 [2,0,0,0,0,0|0,1,0]=3 13 B11R1.36 CC(C(O)=O)C1=CC=CC=C1 HMDB0011743 [1,1,0,0,0,0|1,0,1]=4 14 B11R1.36 CC(N(C)C)C1=CC=CC=C1 HMDB0032243 [1,1,0,0,0,0|1,0,0]=3 15 B11R1.36 NC(C(O)=O)C1=CC=CC=C1 HMDB0002210 [1,1,0,0,0,0|1,0,1]=4 16 B11R1.36 O[C@H](C(O)=O)C1=CC=CC=C1 HMDB0000703 [1,1,0,0,0,0|1,0,1]=4 17 B11R1.40 COC(=O)CC1=CC=CC=C1 HMDB0032617 [1,1,0,0,0,0|0,0,2]=4 18 B11R1.86 CC(C)OC1=CC=CC=C1O HMDB0041804 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.86 OC(=O)CC1=CC=CC=C1O HMDB0000669 [1,1,0,0,0,0|1,0,1]=4 20 B11R1.157 CC1=CC(CC(O)=O)=CC=C1 HMDB0002222 [1,1,0,0,0,0|1,0,1]=4 21 B11R1.7 COP(O)(=O)C1=CC=CC=C1 HMDB0031868 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.19 CC(C)(C)C1=CC=C(O)C=C1 HMDB0032063 [0,1,0,0,1,0|1,0,0]=3 23 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O HMDB0029652 [0,1,0,0,1,0|0,0,0]=2 24 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 HMDB0031731 [0,1,0,0,0,1|0,0,0]=2 25 B11R2.10 CC1=NC2=CC=CC=C2O1 HMDB0032390 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,0,0,0,1,0|1,0,0]=3 27 B9R1.6 CC(O)C1=CC=CC=C1 HMDB0032619 [1,0,0,0,1,0|0,0,0]=2 28 B9R1.6 CC(S)C1=CC=CC=C1 HMDB0032467 [1,0,0,0,1,0|0,1,0]=3 29 B9R1.6 CN(C)C1=CC=CC=C1 HMDB0001020 [1,0,0,0,1,0|1,0,0]=3 30 B9R1.13 CC(C)CC1=NC=CS1 HMDB0031862 [1,0,0,0,1,0|2,0,0]=4 31 B11R1.91 CC(=O)OCC1=CC=CC=C1 HMDB0031310 [1,0,0,0,0,1|0,0,2]=4 32 B11R1.91 CC(C)COC1=CN=CC=N1 HMDB0032381 [1,0,0,0,0,1|2,0,0]=4 33 B11R1.91 CC(O)/C=C\C1=CC=CC=C1 HMDB0031616 [1,0,0,0,0,1|0,0,1]=3 34 B11R1.91 CC(O)CCC1=CC=CC=C1 HMDB0031613 [1,0,0,0,0,1|0,0,0]=2 35 B11R1.91 OC(=O)CCC1=CC=CC=C1 HMDB0000764 [1,0,0,0,0,1|1,0,1]=4 36 B11R1.91 OC(=O)COC1=CC=CC=C1 HMDB0031609 [1,0,0,0,0,1|1,0,1]=4