0  B10R1.18  CC(=O)OC1=CC=CC=C1 YMDB00838 [0,0,0,0,0,0|0,0,0]=0
1  B10R1.18  O=C(O)CC1=CC=CC=C1 YMDB00891 [0,0,0,0,0,0|2,0,0]=2
2  B9R1.8  C\C=C\C1=CN=CC=N1 YMDB01512 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.8  NCCC1=CC=CC=C1 YMDB01558 [1,0,0,0,0,0|2,0,1]=4
4  B9R1.8  O=CCC1=CC=CC=C1 YMDB00116 [1,0,0,0,0,0|1,0,0]=2
5  B9R1.8  OCCC1=CC=CC=C1 YMDB01072 [1,0,0,0,0,0|1,0,2]=4
6  B11R1.20  O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [0,1,0,0,0,0|2,0,0]=3
7  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [0,0,0,0,1,0|0,0,0]=1
8  B9R1.6  NC(=O)C1=CC=CN=C1 YMDB00274 [0,0,0,0,1,0|2,0,0]=3
9  B9R1.6  NC(=O)C1=NC=CN=C1 YMDB00976 [0,0,0,0,1,0|3,0,0]=4
10  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [0,0,0,0,1,0|1,0,0]=2
11  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [0,0,0,0,1,0|2,0,0]=3
12  B9R1.13  CC(=O)CC1=CC=CO1 YMDB01695 [0,0,0,0,1,0|2,0,0]=3
13  B11R1.91  O=C(O)\C=C\C1=CC=CC=C1 YMDB01324 [0,0,0,0,0,1|2,0,0]=3
14  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|0,0,0]=2
15  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|0,0,2]=4
16  B10R1.17  O=C\C=C\C1=CC=CC=C1 YMDB01654 [1,1,0,0,0,0|1,0,0]=3
17  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [0,1,0,0,1,0|0,0,0]=2
18  B10R1.13  CC(O)C1=CC=C(O)C=C1 YMDB01404 [0,1,0,0,1,0|0,0,2]=4
19  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [0,1,0,0,1,0|1,0,0]=3
20  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [0,1,0,0,1,0|1,0,0]=3
21  B10R1.13  O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [0,1,0,0,1,0|2,0,0]=4
22  B10R1.61  NC1=CC=CC=C1C(=O)O YMDB00278 [0,1,0,0,1,0|1,0,0]=3
23  B10R1.61  O=C(O)C1=CC=CC=C1O YMDB01322 [0,1,0,0,1,0|1,0,0]=3
24  B10R1.113  C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [0,1,0,0,1,0|2,0,0]=4
25  B12R1.21  O=C(O)\C=C\C1=CC=C(O)C=C1 YMDB00498 [0,1,0,0,0,1|2,0,0]=4
26  B12R1.27  COC(=O)\C=C\C1=CC=CC=C1 YMDB01744 [0,1,0,0,0,1|1,0,0]=3
27  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O YMDB00304 [0,1,0,0,0,1|2,0,0]=4
28  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O YMDB00995 [0,1,0,0,0,1|2,0,0]=4
29  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 YMDB00786 [0,1,0,0,0,1|2,0,0]=4
30  B12R1.107  CC(=O)OC(C)C1=CC=CC=C1 YMDB01472 [0,1,0,0,0,1|0,0,0]=2
31  B12R1.107  CC(CC(=O)[O-])C1=CC=CC=C1 YMDB01773 [0,1,0,0,0,1|2,0,0]=4
32  B12R1.253  CC(O)(C(=O)O)C1=CC=CC=C1 YMDB01774 [0,2,0,0,0,0|2,0,0]=4
33  B12R1.478  O=C(O)C(CO)C1=CC=CC=C1 YMDB02309 [0,2,0,0,0,0|2,0,0]=4
34  B10R2.7  C1=CC=C2SC=NC2=C1 YMDB01432 [1,0,0,1,0,0|1,1,0]=4
35  B8R1.7  CC(=O)C1=CC=CS1 YMDB01431 [0,0,0,0,2,0|1,0,0]=3
36  B8R1.7  CC(=O)C1=NC=CS1 YMDB01581 [0,0,0,0,2,0|2,0,0]=4
37  B12R1.252  CC(=O)OCCC1=CC=CC=C1 YMDB00574 [0,0,0,0,0,2|0,0,0]=2