0  B7R0.5  [NH3+]CCC([NH3+])C(O)=O D0154 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.3  OC[C@H](C)C([O-])=O H0292 [1,0,0,0,0,0|1,0,1]=3
2  B6R0.4  OC(CCCN)=O G0043 [1,0,0,0,0,0|1,0,0]=2
3  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [0,1,0,0,0,0|1,0,0]=2
4  B8R0.8  O=C(O)C(N)CCSC D0444 [0,1,0,0,0,0|1,0,0]=2
5  B8R0.23  O=C(O)[C@H](N)CC(O)=O A0326 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.5  BrC1CCCCC1=O B0249 [0,0,0,1,0,0|2,0,0]=3
7  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,0,0,1,0,0|1,0,0]=2
8  B5R0.1  CNCC(O)=O S0121 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.2  BrCCCC=C B0624 [2,0,0,0,0,0|2,0,0]=4
10  B9R0.7  NC(CC[C@H](N)C(O)=O)=O G0041 [0,2,0,0,0,0|1,0,1]=4
11  B9R0.47  NCCCC[C@H](N)C(O)=O L0110 [0,2,0,0,0,0|1,0,0]=3
12  B7R1.1  C1CCN(C1)N=O N0378 [1,0,0,1,0,0|2,0,0]=4
13  B7R1.4  O=C1[C@@H]([NH3+])CCO1 H0310 [1,0,0,1,0,0|2,0,0]=4
14  B7R1.18  OC([C@@H]1CCN1)=O A0051 [1,0,0,1,0,0|1,0,0]=3
15  B9R1.5  BrC1CCCCCC1=O B0101 [0,1,0,1,0,0|2,0,0]=4
16  B9R1.35  O=C1CC[C@@H](C(O)=O)O1 O0227 [0,1,0,1,0,0|1,0,1]=4
17  B9R1.35  O[C@H]1CN[C@H](C(O)=O)C1 T0254 [0,1,0,1,0,0|1,0,0]=3