0 B9R1.8 NCCC1=CC=CC=C1 HMDB0012275 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.2 COC1=CC=CC=C1 HMDB0033895 [1,0,0,0,0,0|1,0,0]=2 2 B8R1.2 NCC1=CC=CC=C1 HMDB0033871 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.1 NCCC1=CC=C(O)C=C1 HMDB0000306 [0,1,0,0,0,0|0,0,0]=1 4 B10R1.1 OCCC1=CC=C(O)C=C1 HMDB0004284 [0,1,0,0,0,0|1,0,0]=2 5 B10R1.10 NCCC1=CC(O)=CC=C1 HMDB0004989 [0,1,0,0,0,0|0,0,0]=1 6 B10R1.15 C=C(C=O)C1=CC=CC=C1 HMDB0060671 [0,1,0,0,0,0|1,0,2]=4 7 B10R1.15 NNC(=O)C1=CC=NC=C1 HMDB0015086 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.17 CNCCC1=CC=CC=N1 HMDB0015644 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.17 NNCCC1=CC=CC=C1 HMDB0014918 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.18 CC(N)CC1=CC=CC=C1 HMDB0014328 [0,1,0,0,0,0|0,0,0]=1 11 B10R1.18 C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.18 O=C(O)CC1=CC=CC=C1 HMDB0000209 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.18 O=C(O)CC1=CC=CC=N1 HMDB0060722 [0,1,0,0,0,0|2,0,1]=4 14 B10R2.7 C1=CC2=C(C=C1)NC=C2 HMDB0000738 [0,0,0,1,0,0|0,0,2]=3 15 B10R2.7 C1=CC=C2C(=C1)OCC2 HMDB0013815 [0,0,0,1,0,0|1,0,0]=2 16 B8R1.8 NCCC1=CC=NN1 HMDB0014417 [0,0,0,0,1,0|2,0,0]=3 17 B8R1.8 NCCC1=CNC=N1 HMDB0000870 [0,0,0,0,1,0|2,0,0]=3 18 B7R1.3 CC1=CC=CC=C1 HMDB0034168 [2,0,0,0,0,0|0,0,0]=2 19 B7R1.3 NC1=CC=CC=C1 HMDB0003012 [2,0,0,0,0,0|0,0,0]=2 20 B7R1.3 OC1=CC=CC=C1 HMDB0000228 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.15 C=C\C=C(/CCC)C(=O)O HMDB0060682 [0,1,1,0,0,0|2,0,0]=4 22 B9R1.1 CCC1=CC=C(O)C=C1 HMDB0029306 [1,1,0,0,0,0|0,0,0]=2 23 B9R1.1 O=CC1=CC=C(O)C=C1 HMDB0011718 [1,1,0,0,0,0|1,0,1]=4 24 B9R1.6 CC(N)C1=CC=CC=C1 HMDB0002017 [1,1,0,0,0,0|0,0,0]=2 25 B9R1.6 NC(=O)C1=CC=CN=C1 HMDB0001406 [1,1,0,0,0,0|1,0,1]=4 26 B9R1.6 O=C(O)C1=CC=CC=C1 HMDB0001870 [1,1,0,0,0,0|1,0,1]=4 27 B9R1.15 COC1=C(O)C=CC=C1 HMDB0001398 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.7 CN1C=NC(CCN)=C1 HMDB0000898 [0,1,0,0,1,0|2,0,0]=4 29 B9R1.33 CN1C=NC=C1CCN HMDB0001861 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HMDB0060765 [0,2,0,0,0,0|0,0,0]=2 31 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 HMDB0000020 [0,2,0,0,0,0|1,0,1]=4 32 B11R1.22 NC[C@H](O)C1=CC=C(O)C=C1 HMDB0004825 [0,2,0,0,0,0|0,0,0]=2 33 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 HMDB0012219 [0,2,0,0,0,0|0,0,0]=2 34 B11R1.192 NCCC1=CC(O)=C(O)C=C1 HMDB0000073 [0,2,0,0,0,0|0,0,0]=2 35 B11R1.192 OCCC1=CC=C(O)C(O)=C1 HMDB0005784 [0,2,0,0,0,0|1,0,0]=3 36 B11R1.86 O=C(O)CC1=CC=CC=C1O HMDB0000669 [0,2,0,0,0,0|1,0,1]=4 37 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 HMDB0000440 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 HMDB0011743 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 HMDB0001942 [0,2,0,0,0,0|0,0,0]=2 40 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 HMDB0002210 [0,2,0,0,0,0|1,0,1]=4 41 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 HMDB0000703 [0,2,0,0,0,0|1,0,1]=4 42 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,2,0,0,0,0|0,0,0]=2 43 B11R1.91 O=C(O)CCC1=CC=CC=C1 HMDB0000764 [0,2,0,0,0,0|1,0,0]=3 44 B11R1.509 CC(C)(N)CC1=CC=CC=C1 HMDB0014337 [0,2,0,0,0,0|0,0,0]=2 45 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,1,0,1,0,0|0,0,0]=2 46 B7R1.1 OCC1=CC=CO1 HMDB0013742 [1,0,0,0,1,0|2,0,0]=4