0  B5R0.3  OCC(O)CO DB09462 [0,0,0,0,0,0|0,0,0]=0
1  B5R0.3  OCC(S)CS DB06782 [0,0,0,0,0,0|0,2,0]=2
2  B4R0.1  CC(=O)NO DB00551 [1,0,0,0,0,0|1,0,2]=4
3  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|0,0,0]=1
4  B4R0.1  CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,2]=4
5  B4R0.1  NCC(=O)O DB00145 [1,0,0,0,0,0|1,0,2]=4
6  B4R0.1  O=C(O)CO DB03085 [1,0,0,0,0,0|0,0,2]=3
7  B6R0.3  N[C@@H](CO)C(=O)O DB00133 [0,1,0,0,0,0|1,0,1]=3
8  B6R0.3  N[C@@H](CS)C(=O)O DB00151 [0,1,0,0,0,0|1,1,1]=4
9  B6R0.3  N[C@H](CO)C(=O)O DB03929 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.3  [C@H](N)(CS)C(=O)O DB11197 [0,1,0,0,0,0|1,1,1]=4
11  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|0,0,0]=2
12  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4
13  B3R0.2  CC(=O)O DB03166 [2,0,0,0,0,0|0,0,2]=4
14  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,0]=2
15  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,0,1]=4
16  B3R0.2  O=[Se](O)O DB11127 [2,0,0,0,0,0|1,0,1]=4
17  B3R0.2  OB(O)O DB11326 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.5  CC(O)C(=O)O DB04398 [1,1,0,0,0,0|0,0,1]=3
19  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|0,0,2]=4
20  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|0,0,2]=4
21  B5R0.5  C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.18  NC(CO)(CO)CO DB03754 [0,2,0,0,0,0|0,0,0]=2
24  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,0]=3