0  B9R1.69  C[C@@H]1CNC(=O)NC1=O gut84_1 [0,1,0,0,0,0|3,0,0]=4
1  B9R1.69  C[C@H]1CNC(=O)NC1=O gut84_2 [0,1,0,0,0,0|3,0,0]=4
2  B7R1.2  C1CC(=O)OC1=O gut31 [0,0,0,0,1,0|2,0,0]=3
3  B6R0.4  C(CC(=O)[O-])C[NH3+] gut49 [1,0,1,0,0,0|2,0,0]=4