0  B4R0.1  CC(=O)NO DB00551 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  CC(O)CO DB01839 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.1  NCC(O)=O DB00145 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  OCC(O)=O DB03085 [0,0,0,0,0,0|3,0,1]=4
4  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,0,0]=2
5  B3R0.2  CC(C)O DB02325 [1,0,0,0,0,0|1,0,0]=2
6  B3R0.2  CC(O)=O DB03166 [1,0,0,0,0,0|2,0,1]=4
7  B3R0.2  CC([O-])=O DB00258 [1,0,0,0,0,0|2,0,1]=4
8  B3R0.2  CC([O-])=O DB09395 [1,0,0,0,0,0|2,0,1]=4
9  B3R0.2  CS(C)=O DB01093 [1,0,0,0,0,0|2,0,0]=3
10  B3R0.2  NC(N)=N DB00536 [1,0,0,0,0,0|2,0,1]=4
11  B3R0.2  NC(O)=N DB11129 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  N[13C](O)=N DB09510 [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  N[14C](N)=O DB09513 [1,0,0,0,0,0|2,0,1]=4
14  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|2,0,0]=3
15  B5R0.3  OCC(S)CS DB06782 [0,1,0,0,0,0|2,0,0]=3
16  B5R0.5  CC(O)C(O)=O DB04398 [0,1,0,0,0,0|2,0,1]=4
17  B5R0.5  CC(O)C([O-])=O DB06768 [0,1,0,0,0,0|2,0,1]=4
18  B5R0.5  C[C@H](N)C(O)=O DB00160 [0,1,0,0,0,0|2,0,1]=4
19  B5R1.3  ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,0]=3
20  B2R0.1  CCO DB00898 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.5  C[N+](C)(C)CCO DB00122 [0,2,0,0,0,0|2,0,0]=4
22  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,2,0,0,0,0|2,0,0]=4