0  B7R0.9  C[N+](C)(C)CC(=O)O DB04455 [0,0,0,0,0,0|0,0,1]=1
1  B7R0.9  C[N+](C)(C)CC(=O)[O-] DB01494 [0,0,0,0,0,0|0,0,0]=0
2  B7R0.9  C[N+](C)(C)CC(=O)[O-] DB06756 [0,0,0,0,0,0|0,0,0]=0
3  B6R0.2  CC(=O)CC(=O)O DB01762 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.2  CC(C)CC(=O)O DB03750 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.2  CN(C)CC(=O)O DB02083 [1,0,0,0,0,0|0,0,2]=3
6  B6R0.2  O=C([O-])CC(=O)[O-] DB02201 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.5  CC(C)(C)OC=O DB02768 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.5  C[N+](C)(C)CC=O DB04401 [1,0,0,0,0,0|0,0,0]=1
9  B6R0.5  C[N+](C)(C)CCO DB00122 [1,0,0,0,0,0|0,0,2]=3
10  B6R0.5  C[N+](C)(C)CCS DB01803 [1,0,0,0,0,0|0,1,1]=3
11  B6R0.5  C[N+](C)([11CH3])CCO DB09277 [1,0,0,0,0,0|0,0,2]=3
12  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [1,0,0,0,0,0|0,0,2]=3
13  B8R0.27  [C@H](N)(C(=O)O)C(C)(C)S DB00859 [0,1,0,0,0,0|2,0,1]=4
14  B6R0.7  CC(C)(N)C(=O)O DB02952 [0,0,0,0,1,0|2,0,1]=4
15  B5R0.1  CCCC(=O)O DB03568 [2,0,0,0,0,0|1,0,1]=4
16  B5R0.1  CCCC(N)=O DB02121 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.1  CNCC(=O)O DB12519 [2,0,0,0,0,0|0,0,2]=4
18  B5R0.1  CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,0]=3
19  B5R0.1  C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,0]=3
20  B5R0.1  C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,0]=3
21  B5R0.4  CC[Si](C)(C)C DB02265 [2,0,0,0,0,0|1,0,1]=4
22  B7R0.16  CC(C)[C@H](N)C(=O)O DB00161 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.16  [C@H](C)(C(=O)O)N(C)C DB02167 [1,1,0,0,0,0|0,0,2]=4
24  B9R0.25  CNC(=O)[C@@H](N)C(C)(C)C DB01949 [0,2,0,0,0,0|2,0,0]=4
25  B9R0.32  CC(C)(CO)[C@@H](O)C(=O)[O-] DB01930 [0,2,0,0,0,0|1,0,0]=3
26  B5R0.5  CC(=[NH2+])C(=O)[O-] DB04212 [1,0,0,0,1,0|2,0,0]=4
27  B5R0.5  CC(C)C(=O)O DB02531 [1,0,0,0,1,0|1,0,1]=4
28  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,0,0,0,1,0|2,0,0]=4
29  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,0,0,0,1,0|2,0,0]=4
30  B7R0.6  CC(=O)CCC(=O)[O-] DB13800 [1,0,0,0,0,1|2,0,0]=4
31  B7R0.6  CC(C)CCC(=O)O DB03993 [1,0,0,0,0,1|1,0,1]=4
32  B9R0.56  CC(=O)OCC[N+](C)(C)C DB03128 [0,0,0,0,0,2|1,0,0]=3
33  B9R0.56  C[N+](C)(C)CCOC(N)=O DB00411 [0,0,0,0,0,2|1,0,0]=3