0  B5R0.3  OCC(O)CO DB09462 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  OCC(S)CS DB06782 [0,0,0,0,0,0|2,1,1]=4
2  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|1,0,1]=3
3  B4R0.1  CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,1]=3
4  B4R0.1  NCC(=O)O DB00145 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  O=C(O)CO DB03085 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.3  N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.3  N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|3,0,0]=4
9  B6R0.3  [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|3,0,0]=4
10  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2
11  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4
12  B3R0.2  CC(=O)O DB03166 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3
14  B5R0.5  CC(O)C(=O)O DB04398 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|1,0,0]=3
16  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.5  C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.16  CC(C)[C@H](N)C(=O)O DB00161 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|2,0,0]=4
20  B5R1.2  O=C1CCO1 DB09348 [1,0,0,1,0,0|1,0,1]=4
21  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,1]=4