0  B9R0.7  NC(CC[C@H](N)C(O)=O)=O G0041 [0,1,0,0,0,0|2,0,1]=4
1  B9R0.56  NC(OCC[N+](C)(C)C)=O C0306 [0,1,0,0,0,0|3,0,0]=4
2  B9R0.56  [O-]C(CCN[N+](C)(C)C)=O M0558 [0,1,0,0,0,0|2,0,1]=4
3  B9R1.35  O=C1CC[C@@H](C(O)=O)O1 O0227 [0,0,0,1,0,0|2,0,1]=4
4  B9R1.35  O[C@H]1CN[C@H](C(O)=O)C1 T0254 [0,0,0,1,0,0|2,0,0]=3
5  B9R1.66  C[C@@]1(O)CCOC(=O)C1 M0662 [0,0,0,1,0,0|3,0,0]=4
6  B6R0.4  OC(CCCN)=O G0043 [2,0,0,0,0,0|1,0,0]=3
7  B6R0.6  CCCC/C=C/I I0047 [2,0,0,0,0,0|1,0,1]=4
8  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [1,1,0,0,0,0|1,0,0]=3
9  B8R0.8  O=C(O)C(N)CCSC D0444 [1,1,0,0,0,0|1,0,0]=3
10  B8R0.9  [NH3+]CC(CCC(O)=O)=O A0364 [1,1,0,0,0,0|1,0,1]=4
11  B10R0.31  C([N+](C)(C)C)C(CC(O)=O)O C1078 [0,2,0,0,0,0|1,0,0]=3
12  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [1,0,0,1,0,0|1,0,0]=3
13  B8R1.19  CC1(C)CCCC1=O D0333 [1,0,0,1,0,0|0,0,0]=2
14  B6R0.2  CC(O)CC([O-])=O H0080 [0,0,0,0,2,0|1,0,1]=4