0  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,0,0|1,0,0]=1
1  B9R1.6  NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,0,0|2,0,0]=2
2  B9R1.6  NC(=O)C1=NC=CN=C1 YMDB00976 [0,0,0,0,0,0|3,0,0]=3
3  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,0,0|0,0,0]=0
4  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [0,0,0,0,0,0|1,0,0]=1
5  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [1,0,0,0,0,0|0,0,0]=1
6  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [1,0,0,0,0,0|0,0,1]=2
7  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,0,0|1,0,0]=2
8  B10R1.13  CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,1,0,0,0,0|1,0,1]=3
9  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,1,0,0,0,0|0,0,0]=1
10  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,1,0,0,0,0|0,0,0]=1
11  B10R1.13  O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,1,0,0,0,0|1,0,1]=3
12  B10R1.15  N#CC(O)C1=CC=CC=C1 YMDB01642 [0,1,0,0,0,0|1,0,1]=3
13  B10R1.61  NC1=CC=CC=C1C(=O)O YMDB00278 [0,1,0,0,0,0|0,0,0]=1
14  B10R1.61  O=C(O)C1=CC=CC=C1O YMDB01322 [0,1,0,0,0,0|0,0,0]=1
15  B10R1.113  C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,1,0,0,0,0|2,0,0]=3
16  B8R1.7  CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,0,1,0|2,0,0]=3
17  B8R1.7  CC(=O)C1=NC=CS1 YMDB01581 [0,0,0,0,1,0|3,0,0]=4
18  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,0,1|1,0,0]=2
19  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,0,1|0,0,0]=1
20  B7R0.4  C\C=C\C=C\C(=O)O YMDB01784 [1,0,1,0,0,0|0,0,1]=3
21  B7R1.3  CC1=NC=CC=C1 YMDB01458 [2,0,0,0,0,0|1,0,1]=4
22  B9R1.1  C=CC1=CC=C(O)C=C1 YMDB01627 [1,1,0,0,0,0|1,0,0]=3
23  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [1,1,0,0,0,0|1,0,1]=4
24  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,1,0,0,0,0|1,0,1]=4
25  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,1,0,0,0,0|0,0,0]=2
26  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,1,0,0,0,0|0,0,1]=3
27  B9R1.15  COC1=CC=CC=C1O YMDB01430 [1,1,0,0,0,0|2,0,0]=4
28  B9R1.35  O=C(O)C1=CC=C(O)O1 YMDB02319 [0,1,0,0,1,0|1,0,0]=3
29  B11R1.20  O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [0,1,0,0,0,1|0,0,0]=2
30  B11R1.3  COC1=CC=C(C(=O)O)C=C1 YMDB01638 [0,2,0,0,0,0|0,0,0]=2
31  B11R1.21  O=C(O)C1=CC=C(O)C(O)=C1 YMDB01321 [0,2,0,0,0,0|0,0,0]=2
32  B11R1.166  CC1=CC=C(C(=O)O)C(C)=C1 YMDB02315 [0,2,0,0,0,0|0,0,0]=2
33  B11R1.12  CC=C(C=O)C1=CC=CC=C1 YMDB01440 [0,2,0,0,0,0|1,0,0]=3
34  B11R1.222  COC(=O)C1=CC=CC=C1O YMDB01370 [0,2,0,0,0,0|0,0,0]=2
35  B11R1.159  NC1=C(O)C=CC=C1C(=O)O YMDB00254 [0,2,0,0,0,0|0,0,0]=2
36  B11R1.74  O=C1C=C(C(=O)O)NC(=O)N1 YMDB00405 [0,2,0,0,0,0|2,0,0]=4
37  B7R1.1  O=CC1=CC=CO1 YMDB01459 [1,0,0,0,1,0|1,0,0]=3
38  B7R1.1  OCC1=CC=CS1 YMDB01447 [1,0,0,0,1,0|1,0,1]=4
39  B11R1.91  O=C(O)\C=C\C1=CC=CC=C1 YMDB01324 [0,0,0,0,0,2|0,0,0]=2