0  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,0,0|0,1,1]=2
1  B9R1.6  NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,0,0|2,1,1]=4
2  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,0,0|1,1,1]=3
3  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [0,0,0,0,0,0|2,1,1]=4
4  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [1,0,0,0,0,0|0,1,1]=3
5  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [1,0,0,0,0,0|0,1,0]=2
6  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,0,0|0,1,1]=3
7  B10R1.13  CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,1,0,0,0,0|0,1,0]=2
8  B10R1.13  CC1=CN=C(C(C)C)C=N1 YMDB01446 [0,1,0,0,0,0|3,0,0]=4
9  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,1,0,0,0,0|1,1,1]=4
10  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,1,0,0,0,0|1,1,1]=4
11  B10R1.13  O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,1,0,0,0,0|2,1,0]=4
12  B10R1.15  N#CC(O)C1=CC=CC=C1 YMDB01642 [0,1,0,0,0,0|0,1,1]=3
13  B10R1.61  NC1=CC=CC=C1C(=O)O YMDB00278 [0,1,0,0,0,0|1,1,1]=4
14  B10R1.61  O=C(O)C1=CC=CC=C1O YMDB01322 [0,1,0,0,0,0|1,1,1]=4
15  B8R1.7  CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,0,1,0|1,1,1]=4
16  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,0,1|0,1,1]=3
17  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,0,1|1,1,1]=4
18  B7R1.3  CC1=NC=CC=C1 YMDB01458 [2,0,0,0,0,0|1,0,0]=3
19  B9R1.1  C=CC1=CC=C(O)C=C1 YMDB01627 [1,1,0,0,0,0|0,0,2]=4
20  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [1,1,0,0,0,0|0,0,0]=2
21  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,1,0,0,0,0|0,0,0]=2
22  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,1,0,0,0,0|0,0,1]=3
23  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,1,0,0,0,0|0,0,0]=2
24  B9R1.15  COC1=CC=CC=C1O YMDB01430 [1,1,0,0,0,0|1,0,0]=3
25  B11R1.21  CC1=C(O)C=C(C(C)C)C=C1 YMDB01647 [0,2,0,0,0,0|1,0,0]=3
26  B11R1.12  CC=C(C=O)C1=CC=CC=C1 YMDB01440 [0,2,0,0,0,0|0,1,1]=4
27  B11R1.222  COC(=O)C1=CC=CC=C1O YMDB01370 [0,2,0,0,0,0|0,1,1]=4
28  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,0,0,0,1,0|1,0,0]=3
29  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,0,0,0,1,0|2,0,0]=4
30  B7R1.1  CSC1=CSC=C1 YMDB01449 [1,0,0,0,1,0|2,0,0]=4
31  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,0,1,0|1,1,0]=4
32  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,0,0,0,1,0|1,0,0]=3