0  B6R0.2  CC(O)CC([O-])=O H0080 [1,0,0,0,0,0|1,0,1]=3
1  B6R0.4  OC(CCCN)=O G0043 [1,0,0,0,0,0|1,0,0]=2
2  B8R0.23  O=C(O)[C@H](N)CC(O)=O A0326 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.3  OC[C@H](C)C([O-])=O H0292 [0,0,0,0,1,0|1,0,1]=3
4  B8R0.9  [NH3+]CC(CCC(O)=O)=O A0364 [0,0,0,0,0,1|2,0,1]=4
5  B5R0.1  CNCC(O)=O S0121 [2,0,0,0,0,0|1,0,0]=3
6  B5R0.2  BrCCCC=C B0624 [2,0,0,0,0,0|2,0,0]=4
7  B5R0.3  OCC(Cl)CO C0752 [2,0,0,0,0,0|2,0,0]=4
8  B7R1.18  OC([C@@H]1CCN1)=O A0051 [1,0,0,1,0,0|1,0,0]=3
9  B9R1.35  O=C1CC[C@@H](C(O)=O)O1 O0227 [0,0,0,1,0,1|1,0,1]=4
10  B9R1.35  O[C@H]1CN[C@H](C(O)=O)C1 T0254 [0,0,0,1,0,1|2,0,0]=4
11  B9R1.66  C[C@@]1(O)CCOC(=O)C1 M0662 [0,1,0,1,0,0|0,0,0]=2