0  B7R1.2  C1CC(=O)OC1=O gut31 [0,0,0,1,0,0|3,0,0]=4
1  B4R0.1  C(C(=O)[O-])[NH3+] gut42 [2,0,0,0,0,0|1,1,0]=4
2  B6R0.4  C(CC(=O)[O-])C[NH3+] gut49 [1,1,0,0,0,0|2,0,0]=4