0  B9R0.56  CC(=O)SCC[N+](C)(C)C      AK-47972 [0,0,0,0,0,0|0,1,0]=1
1  B9R0.56  C[N+](C)(C)CCOC(C)=O      AK307467 [0,0,0,0,0,0|0,0,0]=0
2  B9R0.56  O=C([O-])CCN[N+](C)(C)C      AK276866 [0,0,0,0,0,0|3,0,0]=3
3  B8R0.21  CC(C)(S)CCOC=O      AK297149 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.28  CC(OCOC(C)=O)=O      AK112071 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.28  O=C(O)CCCN(C)C      AK-50053 [1,0,0,0,0,0|2,0,1]=4
6  B10R0.31  C[N+](C)(C)C[C@H](O)CC(O)=O      AK101175 [0,1,0,0,0,0|2,0,0]=3
7  B10R0.31  C[N+](C)(C)C[C@H](O)CC(O)=O      AK164495 [0,1,0,0,0,0|2,0,0]=3
8  B10R0.31  OC(C[N+](C)(C)C)CC([O-])=O      AK113129 [0,1,0,0,0,0|2,0,0]=3
9  B10R0.31  OC(C[N+](C)(C)C)CC([O-])=O      AK163426 [0,1,0,0,0,0|2,0,0]=3
10  B10R0.113  O=P([O-])([O-])OCC[N+](C)(C)C      AK548488 [0,1,0,0,0,0|2,0,0]=3
11  B10R1.350  O=C(O)CCCC1(C)CC1      AK137230 [0,0,0,1,0,0|3,0,0]=4
12  B8R0.29  CC(C)(C)OCC(O)=O      AK-57788 [0,0,0,0,1,0|3,0,0]=4
13  B8R0.29  O=C(O)CNC(C)(C)C      AK-75739 [0,0,0,0,1,0|3,0,0]=4
14  B7R0.4  CC(OCCCCl)=O      AK167628 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.4  NC(OCCCC)=O      AK116656 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.8  CCCC[N+](C)(C)C      AK-59431 [2,0,0,0,0,0|0,0,1]=3
17  B9R0.57  CC(C)(C)C[C@@H](N)C(O)=O      AK130118 [0,1,0,0,1,0|2,0,0]=4
18  B9R1.66  O=C1CC(C)(C)CCC1      AK-77355 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.35  O=C1OC[C@@H](C(C)C)N1      AK-36974 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.35  O=C1OC[C@H](C(C)C)N1      AK-33649 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.49  O=C1NCCN(C)CC1      AK-30047 [1,0,0,1,0,0|1,0,1]=4
22  B9R1.53  CC(OC1CC(C1)=O)=O      AK118872 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.10  C1(CCC(CC1)=O)(C)C      AK-32039 [0,0,0,1,1,0|1,0,0]=3
24  B9R1.164  CC1(C)CC(C1)C(O)=O      AK-74159 [0,0,0,1,1,0|2,0,0]=4
25  B7R0.6  C[S+](CCC(O)=O)C      AK114711 [1,0,0,0,1,0|2,0,0]=4
26  B7R0.6  O=C(O)CCN(C)C      AK-33348 [1,0,0,0,1,0|1,0,1]=4
27  B7R0.9  NC(OC(C)(C)C)=O      AK-40118 [0,0,0,0,2,0|2,0,0]=4
28  B7R0.9  O=C([O-])C[N+](C)(C)C      AK161873 [0,0,0,0,2,0|1,0,0]=3