0  B4R0.1  CC(=O)CN 17573 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.3  C(C(CS)O)O 20824 [0,1,0,0,0,0|0,0,0]=1
2  B5R0.3  C([C@H](C=O)O)O 16493 [0,1,0,0,0,0|0,0,1]=2
3  B4R0.3  CN(=O)(C)C 17354 [1,1,0,0,0,0|1,0,1]=4
4  B4R0.3  CS(=O)(=O)C 20131 [1,1,0,0,0,0|1,0,1]=4
5  B6R0.2  CC(CC(=O)O)O 14148 [0,2,0,0,0,0|0,0,0]=2
6  B6R0.2  C[C@@H](CC(=O)[O-])O 21822 [0,2,0,0,0,0|0,0,1]=3
7  B6R0.3  C(C(=O)C(=O)O)O 21856 [0,2,0,0,0,0|1,0,1]=4
8  B6R0.4  CC(C)CCCO 18446 [0,2,0,0,0,0|1,0,0]=3
9  B6R1.2  C1COC[C@@H]1N 11391 [0,1,0,1,0,0|1,0,0]=3
10  B6R1.2  C1COC[C@H]1N 11390 [0,1,0,1,0,0|1,0,0]=3