0  B13R2.435  NC(=[NH2+])C1=CC2=C(C=CC=C2)S1 DB04446 [0,0,0,0,0,0|3,0,0]=3
1  B13R2.435  NC(=[NH2+])C1=CC2=C(N=CC=C2)S1 DB03876 [0,0,0,0,0,0|4,0,0]=4
2  B13R2.435  O=C(O)C1=NC2=CC=CC=C2N1 DB03028 [0,0,0,0,0,0|1,0,0]=1
3  B13R2.435  OB(O)C1=CC2=C(C=CC=C2)S1 DB04360 [0,0,0,0,0,0|2,0,1]=3
4  B14R2.7969  NC(=[NH2+])C1=CC2=C(C=CC=C2I)S1 DB03136 [0,1,0,0,0,0|3,0,0]=4
5  B12R1.43  N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,0,1,0,0,0|0,0,2]=3
6  B12R1.43  N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [0,0,1,0,0,0|0,0,0]=1
7  B12R1.43  O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,0,1,0,0,0|1,0,1]=3
8  B12R1.43  [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,0,1,0,0,0|1,0,2]=4
9  B12R1.43  [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,0,1,0,0,0|1,0,2]=4
10  B12R1.43  [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,0,1,0,0,0|1,0,2]=4
11  B12R1.125  O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,0,1,0,0,0|1,0,0]=2
12  B14R2.781  O=C(O)C1=NC2=C(C=CC=C2)C=C1 DB02428 [0,0,0,0,0,1|0,0,1]=2
13  B11R1.91  O=C(O)CCC1=CC=CC=C1 DB02024 [1,0,1,0,0,0|0,0,2]=4
14  B13R1.133  C(C1=CC=C([O-])C=C1)=C(/F)C(=O)O DB02384 [0,1,1,0,0,0|1,0,0]=3
15  B13R1.133  N[C@H](CC1=CC=C(O)C=C1)C(=O)O DB03839 [0,1,1,0,0,0|0,0,2]=4
16  B13R1.133  O=C(O)C(=O)CC1=CC=C(O)C=C1 DB07718 [0,1,1,0,0,0|1,0,1]=4
17  B13R1.133  [C@@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB04713 [0,1,1,0,0,0|0,0,2]=4
18  B13R1.133  [C@H](N)(CC1=CC=C(I)C=C1)C(=O)O DB03660 [0,1,1,0,0,0|0,0,2]=4
19  B13R1.135  [C@H](N)(CC1=CC=CC=C1)C(=O)OC DB06838 [0,1,1,0,0,0|0,0,2]=4
20  B13R1.148  CC1=CC=CC(C[C@H](N)C(=O)O)=C1 DB02685 [0,1,1,0,0,0|0,0,2]=4
21  B13R1.148  N[C@@H](CC1=CC=CC(O)=C1)C(=O)O DB03552 [0,1,1,0,0,0|0,0,2]=4
22  B13R1.164  C(C(=O)O)=CC1=C(O)C=C(O)C=C1 DB01704 [0,1,1,0,0,0|1,0,0]=3
23  B15R2.4441  O=S(=O)(O)C1=CC2=C(C=CC=C2)C=C1 DB08254 [0,1,0,0,0,1|2,0,0]=4
24  B15R2.16121  O=C(O)[C@]1(O)C=CC2=CC=CC=C2O1 DB06952 [0,1,0,0,0,1|1,0,1]=4
25  B13R2.5179  OC1=CC=C2C(O)=CC=CC2=C1 DB07661 [0,0,1,1,0,0|2,0,0]=4
26  B11R1.36  O=C(O)C(=O)C1=CC=CC=C1 DB02279 [0,0,1,0,1,0|1,0,0]=3
27  B11R1.36  O=C(O)[C@@H](O)C1=CC=CC=C1 DB03357 [0,0,1,0,1,0|1,0,1]=4
28  B11R1.36  O=C(O)[C@H](O)C1=CC=CC=C1 DB02280 [0,0,1,0,1,0|1,0,1]=4