0  B8R1.8  NCCC1=CNC=N1 YMDB01556 [0,0,0,0,0,0|2,0,0]=2
1  B8R1.8  SCCC1=CC=CO1 YMDB01460 [0,0,0,0,0,0|3,0,0]=3
2  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,0,0,0,0,0|2,0,0]=3
3  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,0,0,0,0,0|3,0,0]=4
4  B7R1.1  CSC1=CSC=C1 YMDB01449 [1,0,0,0,0,0|1,0,0]=2
5  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,0,0,0,0,0|3,0,0]=4
7  B9R1.33  CC1=C(CCO)SC=N1 YMDB00706 [0,1,0,0,0,0|3,0,0]=4
8  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [0,0,0,0,0,1|1,0,0]=2
9  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [0,0,0,0,0,1|2,0,1]=4
10  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [0,0,0,0,0,1|2,0,0]=3
11  B6R0.6  CCC\C=C/C=O YMDB01655 [1,0,1,0,0,0|1,1,0]=4
12  B6R1.2  CC1=CC=CS1 YMDB01462 [2,0,0,0,0,0|2,0,0]=4
13  B6R1.2  CC1=CSC=N1 YMDB01620 [2,0,0,0,0,0|1,0,0]=3
14  B8R1.1  CCC1=CN=C(C)S1 YMDB01509 [1,1,0,0,0,0|2,0,0]=4
15  B8R1.11  CCC1=C(C)N=CO1 YMDB01498 [1,1,0,0,0,0|2,0,0]=4
16  B8R1.11  CSC1=C(C)OC=C1 YMDB01452 [1,1,0,0,0,0|1,1,0]=4
17  B10R1.1  CCCC1=NC=C(C)N=C1 YMDB01504 [0,1,0,0,0,1|2,0,0]=4
18  B10R1.1  NCCC1=CC=C(O)C=C1 YMDB01797 [0,1,0,0,0,1|1,0,0]=3
19  B10R1.1  OCCC1=CC=C(O)C=C1 YMDB01798 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.4  OCCC1=CC=CC=C1O YMDB02314 [0,1,0,0,0,1|2,0,0]=4
21  B10R1.27  N[C@H](CO)CC1=CN=CN1 YMDB00702 [0,2,0,0,0,0|2,0,0]=4