0  B6R0.5  CCOP(=O)(O)O DB03822 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.5  C[N+](C)(C)CCS DB01803 [0,0,0,0,0,0|4,0,0]=4
2  B6R0.5  O=CCP(=O)(O)O DB03174 [0,0,0,0,0,0|1,1,2]=4
3  B5R0.1  CC(=O)CCO DB04094 [1,0,0,0,0,0|2,1,0]=4
4  B5R0.1  CC(O)CCO DB14110 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.1  CCCC(=O)O DB03568 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  CCCC(N)=O DB02121 [1,0,0,0,0,0|3,0,0]=4
7  B5R0.1  C[C@H](O)CCO DB02202 [1,0,0,0,0,0|2,1,0]=4
8  B5R0.1  NCCC(=O)O DB03107 [1,0,0,0,0,0|2,0,0]=3
9  B5R0.1  NOCC(=O)O DB02079 [1,0,0,0,0,0|3,0,0]=4
10  B5R0.1  O=C(O)CCO DB03688 [1,0,0,0,0,0|1,1,0]=3
11  B5R0.4  C=CS(=O)(=O)O DB04359 [1,0,0,0,0,0|0,0,2]=3
12  B5R0.4  CCS(=O)(=O)O DB03635 [1,0,0,0,0,0|0,0,0]=1
13  B5R0.4  O=P([O-])([O-])CS DB03498 [1,0,0,0,0,0|1,0,2]=4
14  B7R0.8  CCCCP(=O)(O)O DB03999 [0,1,0,0,0,0|2,0,1]=4
15  B7R0.8  NCCOP(=O)(O)O DB01738 [0,1,0,0,0,0|2,0,1]=4
16  B4R0.1  CCC(N)=O DB04161 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.1  CC[C@@H](C)O DB02606 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.1  O=C(O)CBr DB02198 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.2  CCCCO DB02145 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.2  OCCCO DB02774 [2,0,0,0,0,0|1,1,0]=4
21  B4R0.3  CS(C)(=O)=O DB14090 [2,0,0,0,0,0|1,0,0]=3
22  B4R0.3  C[As](C)(=O)O DB02994 [2,0,0,0,0,0|2,0,0]=4
23  B4R0.3  O=S(=O)([O-])[O-] DB13257 [2,0,0,0,0,0|0,1,1]=4
24  B4R0.3  O=S(=O)([O-])[O-] DB14180 [2,0,0,0,0,0|0,1,1]=4
25  B6R0.2  CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.3  CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.3  CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.3  N[C@@H](C[NH3+])C(=O)O DB03320 [1,1,0,0,0,0|2,0,0]=4
29  B6R0.3  N[C@@H](C[SeH])C(=O)O DB02345 [1,1,0,0,0,0|1,1,0]=4
30  B6R0.3  N[C@H](CO)C(=O)O DB03929 [1,1,0,0,0,0|1,1,0]=4
31  B6R0.3  N[C@H](CS)C(=O)O DB03201 [1,1,0,0,0,0|1,0,0]=3
32  B6R0.3  [C@H](N)(CS)C(=N)O DB03275 [1,1,0,0,0,0|2,0,0]=4
33  B6R0.4  CCCCC(=O)O DB02406 [1,1,0,0,0,0|2,0,0]=4
34  B6R1.2  O=C1CCCO1 DB04699 [1,0,0,1,0,0|2,0,0]=4