0  B9R0.39  CC(=O)N[C@@H](CS)C(=O)O D00221 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.39  CC(=O)N[C@@H](CS)C(=O)[O-] D07554 [0,0,0,0,0,0|0,0,1]=1
2  B8R0.23  NC(=O)C[C@H](N)C(=O)O D09738 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.23  N[C@@H](CC(=O)O)C(=O)O D00013 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.23  N[C@@H](CC(=O)[O-])C(=O)O D02026 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.23  O=C(O)CC(O)C(=O)O D04843 [1,0,0,0,0,0|2,1,0]=4
6  B10R1.64  CC(=O)NC1CCSC1=O D07105 [0,0,0,1,0,0|1,1,0]=3
7  B7R0.6  CC(=O)CCC(=O)[O-] D03298 [2,0,0,0,0,0|1,0,1]=4
8  B9R0.79  O=C(O)C(S)C(S)C(=O)O D02025 [1,1,0,0,0,0|2,0,0]=4
9  B9R0.79  O=C(O)[C@H](S)[C@H](S)C(=O)O D00572 [1,1,0,0,0,0|2,0,0]=4
10  B9R1.35  O=C1CC[C@@H](C(=O)[O-])N1 D07605 [1,0,0,1,0,0|1,0,1]=4