0  B10R1.17  O=C\C=C\C1=CC=CC=C1 YMDB01654 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,0,0,0,0,0|0,0,0]=1
2  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,0,0,0,0,0|1,0,1]=3
3  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,0,0,0,0,0|1,0,0]=2
4  B9R0.45  CCCC\C=C\C=C\C=O YMDB01795 [0,0,1,0,0,0|2,0,0]=3
5  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|1,0,1]=4
6  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|1,0,0]=3
7  B10R0.71  CCCCC\C=C\C=C\C=O YMDB01455 [0,1,1,0,0,0|1,0,1]=4
8  B10R1.1  CCCC1=NC=C(C)N=C1 YMDB01504 [1,1,0,0,0,0|2,0,0]=4
9  B10R1.1  NCCC1=CC=C(O)C=C1 YMDB01797 [1,1,0,0,0,0|0,0,0]=2
10  B10R1.1  OCCC1=CC=C(O)C=C1 YMDB01798 [1,1,0,0,0,0|1,0,0]=3
11  B10R1.4  OCCC1=CC=CC=C1O YMDB02314 [1,1,0,0,0,0|1,0,0]=3
12  B10R1.15  N#CC(O)C1=CC=CC=C1 YMDB01642 [1,1,0,0,0,0|0,0,2]=4
13  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [1,1,0,0,0,0|1,0,1]=4
14  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.21  CCCCCC1=CC=CO1 YMDB01439 [0,1,0,0,1,0|2,0,0]=4
16  B10R1.21  CCCCCC1=CC=CS1 YMDB01514 [0,1,0,0,1,0|2,0,0]=4
17  B12R1.107  CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,2,0,0,0,0|2,0,0]=4
18  B12R1.107  CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [0,2,0,0,0,0|2,0,0]=4
19  B12R1.252  CC(=O)OCCC1=CC=CC=C1 YMDB00574 [0,2,0,0,0,0|1,0,0]=3
20  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,2,0,0,0,0|2,0,0]=4
21  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,2,0,0,0,0|2,0,0]=4
22  B8R1.8  NCCC1=CNC=N1 YMDB01556 [1,0,0,0,1,0|2,0,0]=4
23  B8R1.8  SCCC1=CC=CO1 YMDB01460 [1,0,0,0,1,0|2,0,0]=4