0  B11R1.91  CC(=O)CCC1=CC=CC=C1 M18315 [1,0,0,0,0,0|0,0,2]=3
1  B11R1.91  CC(=O)COc1ccccc1 M27826 [1,0,0,0,0,0|1,0,2]=4
2  B11R1.91  CC(=O)NCc1ccccc1 M22662 [1,0,0,0,0,0|1,0,2]=4
3  B11R1.91  CC(=O)OCc1ccccc1 M20248 [1,0,0,0,0,0|1,0,2]=4
4  B11R1.91  O=C(O)CCc1ccccc1 M18665 [1,0,0,0,0,0|1,0,1]=3
5  B13R1.353  CC(C)(C)\[N+]([O-])=C\c1ccccc1 M27667 [0,1,0,0,0,0|2,0,1]=4
6  B13R1.512  C[N+](C)(C)CCC1=CC=C(O)C=C1 M29452 [0,1,0,0,0,0|2,0,0]=3
7  B11R1.509  [*][N+](C)(C)CC1=CC=CC=C1 M15995 [0,0,0,0,1,0|2,0,0]=3
8  B10R1.17  CCOCc1ccccc1 M28093 [2,0,0,0,0,0|1,0,0]=3
9  B10R1.17  CNCCC1=CC=CC=N1 M14976 [2,0,0,0,0,0|2,0,0]=4
10  B10R1.17  CNCCC1=CC=CC=N1 M15030 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.17  CNCCc1ccccn1 M18815 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.17  NNCCC1=CC=CC=C1 M28748 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.17  NNCCc1ccccc1 M22671 [2,0,0,0,0,0|2,0,0]=4
14  B10R1.17  NNCCc1ccccc1 M28381 [2,0,0,0,0,0|2,0,0]=4
15  B10R1.17  OCCCC1=CC=CC=C1 M19330 [2,0,0,0,0,0|0,0,0]=2
16  B10R1.17  OCCOC1=CC=CC=C1 M23407 [2,0,0,0,0,0|1,0,0]=3
17  B10R1.17  OC\C=C\C1=CC=CC=C1 M17777 [2,0,0,0,0,0|0,0,2]=4
18  B12R1.21  CC(=O)CCC1=CC=C(O)C=C1 M18780 [1,1,0,0,0,0|0,0,2]=4
19  B12R1.21  CN(C)CCc1ccc(O)cc1 M18761 [1,1,0,0,0,0|1,0,0]=3
20  B12R1.21  C[C@@H](O)CCc1ccc(O)cc1 M27193 [1,1,0,0,0,0|0,0,0]=2
21  B12R1.21  O=C(O)CCc1ccc(O)cc1 M18668 [1,1,0,0,0,0|1,0,1]=4
22  B12R1.27  COC(=O)CCc1ccccc1 M28729 [1,1,0,0,0,0|0,0,2]=4
23  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O M15427 [1,1,0,0,0,0|1,0,1]=4
24  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O M15568 [1,1,0,0,0,0|1,0,1]=4
25  B12R1.43  O=C(O)C(O)Cc1ccccc1 M19335 [1,1,0,0,0,0|1,0,1]=4
26  B12R1.43  O=C(O)[C@@H](O)Cc1ccccc1 M20030 [1,1,0,0,0,0|1,0,1]=4
27  B12R1.43  O=C(O)[C@H](O)Cc1ccccc1 M19976 [1,1,0,0,0,0|1,0,1]=4
28  B12R1.43  [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O M28293 [1,1,0,0,0,0|1,0,1]=4
29  B12R1.107  CC(CC(=O)O)c1ccccc1 M27054 [1,1,0,0,0,0|1,0,1]=4
30  B12R1.125  CC(C)COc1ccccc1N M29512 [1,1,0,0,0,0|1,0,0]=3
31  B12R1.125  O=C(O)CCc1ccccc1O M19688 [1,1,0,0,0,0|1,0,1]=4
32  B12R1.226  O=C(O)CCc1cccc(O)c1 M20847 [1,1,0,0,0,0|1,0,1]=4
33  B14R1.684  C[N+](C)(C)CCC1=CC(O)=C(O)C=C1 M29453 [0,2,0,0,0,0|2,0,0]=4
34  B12R2.24  O=C1CCC2=C(C=CC=C2)C1 M14885 [1,0,0,1,0,0|0,0,2]=4
35  B12R2.24  O=C1CCC2=CC=CC=C2O1 M17874 [1,0,0,1,0,0|1,0,1]=4
36  B10R1.18  O=C(O)Cc1ccccc1 M19689 [1,0,0,0,1,0|1,0,1]=4
37  B12R1.252  O=C(O)CCCc1ccccc1 M20554 [1,0,0,0,0,1|1,0,1]=4