0  B11R1.21  CC1=C(O)C=C(C(C)C)C=C1 YMDB01647 [0,0,0,0,0,0|3,0,1]=4
1  B11R1.21  O=C(O)C1=CC=C(O)C(O)=C1 YMDB01321 [0,0,0,0,0,0|0,0,0]=0
2  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.13  CC(O)C1=CC=C(O)C=C1 YMDB01404 [1,0,0,0,0,0|1,0,1]=3
4  B10R1.13  NC1=CC=C(C(=O)O)C=C1 YMDB00493 [1,0,0,0,0,0|1,0,0]=2
5  B10R1.13  O=C(O)C1=CC=C(O)C=C1 YMDB00495 [1,0,0,0,0,0|0,0,0]=1
6  B10R1.13  O=[N+]([O-])C1=CC=C(O)C=C1 YMDB00316 [1,0,0,0,0,0|1,0,1]=3
7  B10R1.113  C[N+]1=CC=CC(C(N)=O)=C1 YMDB00348 [1,0,0,0,0,0|3,0,0]=4
8  B12R1.56  COC1=C(O)C=CC(C(C)=O)=C1 YMDB01631 [0,1,0,0,0,0|1,0,0]=2
9  B12R1.56  COC1=CC(C(=O)O)=CC=C1O YMDB01802 [0,1,0,0,0,0|0,0,0]=1
10  B12R1.1005  O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1 YMDB00390 [0,1,0,0,0,0|0,0,3]=4
11  B12R1.1005  O=C(O)C1=CC(O)=C(O)C(O)=C1 YMDB01323 [0,1,0,0,0,0|0,0,0]=1
12  B9R1.1  C=CC1=CC=C(O)C=C1 YMDB01627 [2,0,0,0,0,0|1,0,0]=3
13  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [2,0,0,0,0,0|1,0,1]=4
14  B9R1.6  CC(=O)C1=CC=CC=C1 YMDB01629 [2,0,0,0,0,0|1,0,0]=3
15  B9R1.6  NC(=O)C1=CC=CN=C1 YMDB00274 [2,0,0,0,0,0|2,0,0]=4
16  B9R1.6  O=C(O)C1=CC=CC=C1 YMDB02301 [2,0,0,0,0,0|0,0,0]=2
17  B9R1.6  O=C(O)C1=CN=CC=C1 YMDB00224 [2,0,0,0,0,0|1,0,0]=3
18  B11R1.3  COC1=CC=C(C(=O)O)C=C1 YMDB01638 [1,1,0,0,0,0|0,0,0]=2
19  B11R1.166  CC1=CC=C(C(=O)O)C(C)=C1 YMDB02315 [1,1,0,0,0,0|1,0,0]=3
20  B11R1.159  NC1=C(O)C=CC=C1C(=O)O YMDB00254 [1,1,0,0,0,0|0,0,0]=2
21  B11R1.280  C=CC1=CC=C(O)C(OC)=C1 YMDB01624 [1,1,0,0,0,0|1,0,0]=3
22  B11R1.280  CCC1=CC(OC)=C(O)C=C1 YMDB01615 [1,1,0,0,0,0|1,0,1]=4
23  B11R1.280  COC1=CC(C=O)=CC=C1O YMDB01803 [1,1,0,0,0,0|0,0,0]=2
24  B13R1.52  COC1=CC(CC(=O)O)=CC=C1O YMDB01711 [0,1,0,0,0,1|0,0,0]=2
25  B13R1.49  COC(=O)C1=CC(OC)=C(O)C=C1 YMDB01747 [0,2,0,0,0,0|0,0,0]=2
26  B9R1.35  O=C(O)C1=CC=C(O)O1 YMDB02319 [1,0,0,0,1,0|1,0,0]=3
27  B11R1.20  O=C(O)CC1=CC=C(O)C=C1 YMDB01486 [1,0,0,0,0,1|0,0,0]=2
28  B13R1.511  O=C(O)\C=C\C1=CC(O)=C(O)C=C1 YMDB01645 [0,0,0,0,0,2|0,0,0]=2