0  B9R0.56  CC(=O)SCC[N+](C)(C)C C15407 [0,0,0,0,0,0|0,1,0]=1
1  B9R0.56  C[Si](C)(C)CCOC(=O)Cl S11034 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.21  CC(C)(C)OCCC=O AT13970 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.28  C=C(C)CCCC(C)C T70747 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.28  CC(=O)CCCC(C)=O AC9369 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.28  CC(=O)CCCN(C)C AC6136 [1,0,0,0,0,0|1,0,1]=3
6  B8R0.28  CC(C)CCOC(=O)Cl AC2336 [1,0,0,0,0,0|2,0,0]=3
7  B8R0.28  CN(C)CCCC(=O)O A11102 [1,0,0,0,0,0|2,0,1]=4
8  B10R0.31  CC(C)(C)C[C@H](N)CC(=O)O N14205 [0,1,0,0,0,0|3,0,0]=4
9  B10R0.60  C[N+](C)(C)CCOC(=O)CBr D86709 [0,1,0,0,0,0|0,0,0]=1
10  B10R1.55  CC(C)(C)[C@@H]1CNC(=O)C1 94581 [0,0,0,1,0,0|2,0,0]=3
11  B10R1.55  CC(C)(C)[C@@H]1COC(=O)N1 AT13635 [0,0,0,1,0,0|2,0,0]=3
12  B10R1.350  CC1(CCCC(=O)O)CC1 C15726 [0,0,0,1,0,0|3,0,0]=4
13  B8R0.29  CC(=O)CSC(C)(C)C F17486 [0,0,0,0,1,0|2,0,0]=3
14  B8R0.29  CC(C)(C)SCC(=O)O AT13960 [0,0,0,0,1,0|3,0,0]=4
15  B8R0.29  CC(C)CCC(C)(C)C T72348 [0,0,0,0,1,0|2,0,1]=4
16  B8R0.29  CP(C)(=O)CCC(=O)O AT13420 [0,0,0,0,1,0|2,1,0]=4
17  B7R0.4  CNCCNC(C)=O C77870 [2,0,0,0,0,0|1,0,1]=4
18  B7R0.8  COCCC(C)(C)N D75145 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.8  CONCC(C)(C)C AT24905 [2,0,0,0,0,0|2,0,0]=4
20  B9R0.10  CC(C)(C)[C@@H](N)CC(=O)O F53739 [0,1,0,0,1,0|2,0,0]=4
21  B11R0.202  CC(=O)OCCC(C)(C)C(=O)Cl AC8390 [0,2,0,0,0,0|1,0,1]=4
22  B9R1.10  CC1(C)CCC(=O)NC1 55120 [0,0,0,1,1,0|2,0,0]=4
23  B7R0.6  C[S+](C)CCC(=O)[O-] F16477 [1,0,0,0,1,0|2,0,0]=4
24  B7R0.9  C=C(C)CC(C)(C)C F21333 [0,0,0,0,2,0|2,0,0]=4
25  B7R0.9  CC(=O)CC(C)(C)N F18062 [0,0,0,0,2,0|2,0,0]=4
26  B7R0.9  C[N+](C)(C)CC(=O)Cl S12388 [0,0,0,0,2,0|1,0,0]=3