0  B8R1.7  CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,0,0,0|0,1,0]=1
1  B8R1.7  CC(=O)C1=NC=CS1 YMDB01581 [0,0,0,0,0,0|1,1,0]=2
2  B8R1.7  CC(=O)C1=NCCC1 YMDB01451 [0,0,0,0,0,0|1,0,3]=4
3  B8R1.7  CC(=O)C1=NCCS1 YMDB01448 [0,0,0,0,0,0|1,1,2]=4
4  B7R1.1  CCC1=CC=CO1 YMDB01437 [1,0,0,0,0,0|0,0,1]=2
5  B7R1.1  CCC1=NC=CS1 YMDB01505 [1,0,0,0,0,0|1,1,1]=4
6  B7R1.1  CSC1=CSC=C1 YMDB01449 [1,0,0,0,0,0|3,0,0]=4
7  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,0,0,0,0,0|0,0,0]=1
8  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,0,0,0|0,1,2]=4
9  B7R1.1  SCC1=CC=CO1 YMDB01433 [1,0,0,0,0,0|0,1,1]=3
10  B9R1.35  O=C(O)C1=CC=C(O)O1 YMDB02319 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.4  C\C=C\C=C\C(=O)O YMDB01784 [0,0,1,0,0,0|2,0,0]=3
12  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,0,1|1,0,0]=2
13  B9R1.6  NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,0,1|2,0,0]=3
14  B9R1.6  NC(=O)C1=NC=CN=C1 YMDB00976 [0,0,0,0,0,1|2,0,0]=3
15  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,0,1|2,0,0]=3
16  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [0,0,0,0,0,1|2,0,0]=3
17  B9R1.13  CC(=O)CC1=CC=CO1 YMDB01695 [0,0,0,0,0,1|0,0,0]=1
18  B6R0.6  C\C=C\C=C\CO YMDB01707 [1,0,1,0,0,0|0,0,1]=3
19  B6R1.2  CC1=CC=CS1 YMDB01462 [2,0,0,0,0,0|0,1,0]=3
20  B6R1.2  CC1=CSC=N1 YMDB01620 [2,0,0,0,0,0|2,0,0]=4
21  B8R1.1  CC1=CC=C(C=O)O1 YMDB01435 [1,1,0,0,0,0|0,0,0]=2
22  B8R1.1  CC1=CC=C(C=O)S1 YMDB01445 [1,1,0,0,0,0|0,1,0]=3
23  B8R1.1  CC1=CC=C(CS)O1 YMDB01503 [1,1,0,0,0,0|0,1,1]=4
24  B8R1.8  SCCC1=CC=CO1 YMDB01460 [1,1,0,0,0,0|0,0,1]=3
25  B8R1.11  CCC1=C(C)N=CO1 YMDB01498 [1,1,0,0,0,0|1,0,1]=4
26  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,0,1|1,0,0]=3
27  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,1,0,0,0,1|2,0,0]=4
28  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,1,0,0,0,1|2,0,0]=4
29  B10R1.61  NC1=CC=CC=C1C(=O)O YMDB00278 [0,1,0,0,0,1|2,0,0]=4
30  B10R1.61  O=C(O)C1=CC=CC=C1O YMDB01322 [0,1,0,0,0,1|2,0,0]=4
31  B10R1.113  C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,1,0,0,0,1|2,0,0]=4
32  B10R1.54  O=C(O)\C=C1/C=CC(=O)O1 YMDB00159 [0,1,0,0,0,1|1,0,0]=3
33  B8R1.4  CC1=CC=CC(O)=C1 YMDB01730 [0,0,1,1,0,0|1,0,0]=3
34  B8R1.5  CC1=CC=CC=C1O YMDB01457 [0,0,1,1,0,0|1,0,0]=3
35  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [1,0,0,0,0,1|1,0,0]=3
36  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,0,2|1,0,0]=3
37  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,0,2|2,0,0]=4