0  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O D00021 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 D02242 [1,0,0,0,0,0|3,0,0]=4
2  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 D08187 [1,0,0,0,0,0|3,0,0]=4
3  B11R1.40  CN[C@H](C)CC1=CC=CC=C1 D02291 [1,0,0,0,0,0|3,0,0]=4
4  B11R1.91  CC(=O)O[Hg]C1=CC=CC=C1 D05464 [1,0,0,0,0,0|3,0,0]=4
5  B13R1.133  NC(CC1=CC=C(Cl)C=C1)C(=O)O D04143 [0,1,0,0,0,0|0,0,0]=1
6  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O D00022 [0,1,0,0,0,0|0,0,0]=1
7  B11R1.35  N[C@@H](CC1=CNC=N1)C(=O)O D00032 [0,0,0,0,1,0|2,0,0]=3
8  B11R1.35  N[C@@H](CC1=CNC=N1)C(=O)O D02072 [0,0,0,0,1,0|2,0,0]=3
9  B11R1.36  O=C(O)C(O)C1=CC=CC=C1 D00856 [0,0,0,0,1,0|1,0,0]=2
10  B13R1.348  NC(=O)NC(=O)CC1=CC=CC=C1 D00504 [0,0,0,0,0,1|2,0,1]=4
11  B10R1.17  NNCCC1=CC=CC=C1 D00505 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.17  NNCCC1=CC=CC=C1 D08349 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.17  OCCOC1=CC=CC=C1 D08359 [2,0,0,0,0,0|1,0,1]=4
14  B10R1.18  CC(N)CC1=CC=CC=C1 D02074 [2,0,0,0,0,0|0,0,1]=3
15  B10R1.18  CC(N)CC1=CC=CC=C1 D07445 [2,0,0,0,0,0|0,0,1]=3
16  B10R1.18  C[C@@H](N)CC1=CC=CC=C1 D04704 [2,0,0,0,0,0|0,0,1]=3
17  B10R1.18  C[C@H](N)CC1=CC=CC=C1 D02078 [2,0,0,0,0,0|0,0,1]=3
18  B10R1.18  C[C@H](N)CC1=CC=CC=C1 D03740 [2,0,0,0,0,0|0,0,1]=3
19  B10R1.18  O=C(O)CC1=CC=CC=C1 D09942 [2,0,0,0,0,0|1,0,1]=4
20  B10R1.18  O=C([O-])CC1=CC=CC=C1 D05867 [2,0,0,0,0,0|1,0,1]=4
21  B12R1.32  C=CCC(N)CC1=CC=CC=C1 D02803 [1,1,0,0,0,0|1,0,0]=3
22  B12R1.20  N[C@H](C(=O)O)C1=CC=C(O)C=C1 D05292 [0,1,0,0,1,0|0,0,0]=2
23  B14R1.686  N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O D00059 [0,2,0,0,0,0|0,0,0]=2
24  B14R1.686  N[C@@H](CC1=CC=C(O)C([131I])=C1)C(=O)O D04597 [0,2,0,0,0,0|0,0,0]=2
25  B14R1.7626  CC(C)(OC1=CC=C(Cl)C=C1)C(=O)O D07723 [0,2,0,0,0,0|2,0,0]=4
26  B14R1.7626  C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O D00762 [0,2,0,0,0,0|0,0,0]=2
27  B12R1.252  O=C([O-])CCCC1=CC=CC=C1 D05868 [1,0,0,0,0,1|0,0,1]=3