0  B9R0.39  CC(=O)N[C@@H](CS)C(=O)N 5619 [0,0,0,0,0,0|1,0,0]=1
1  B9R0.39  CNC(CC(=O)O)C(=O)O 0114 [0,0,0,0,0,0|4,0,0]=4
2  B8R0.23  C([C@@H](C(=O)O)N)C(=O)O 0214 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.23  C([C@H](C(=O)O)N)C(=O)O 0213 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.16  CC(C(=O)O)C(=O)O 4979 [1,0,0,0,1,0|1,0,0]=3