0  B6R0.5  C[N+](C)(C)CCCl M27322 [0,0,0,0,0,0|1,0,0]=1
1  B6R0.5  C[N+](C)(C)CCO M15467 [0,0,0,0,0,0|0,0,0]=0
2  B6R0.5  C[N+](C)(C)CCO M15578 [0,0,0,0,0,0|0,0,0]=0
3  B6R0.5  C[N+](C)(C)CCO M22630 [0,0,0,0,0,0|0,0,0]=0
4  B6R0.5  O=S(=O)([O-])CCO M19983 [0,0,0,0,0,0|4,0,0]=4
5  B5R0.1  CC(C)=CCO M19629 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.1  CC(C)\C=N\O M19919 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.1  C[C@H](O)CCO M23286 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.4  CCC(C)(C)O M19505 [1,0,0,0,0,0|2,0,0]=3
9  B7R0.9  CC(C)(O)CC(=O)O M15365 [0,1,0,0,0,0|2,0,1]=4
10  B7R0.9  CC(O)CC(C)(C)O M10306 [0,1,0,0,0,0|2,0,0]=3
11  B7R0.9  C[N+](C)(C)CC(=O)O M15185 [0,1,0,0,0,0|0,0,1]=2
12  B7R0.9  C[N+](C)(C)CC(=O)[O-] M10307 [0,1,0,0,0,0|0,0,2]=3
13  B4R0.1  CC(C)CO M20289 [2,0,0,0,0,0|1,0,0]=3
14  B4R0.1  CC(O)CO M20276 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.2  CCCCO M19029 [2,0,0,0,0,0|1,0,0]=3
16  B4R0.2  COCCO M19726 [2,0,0,0,0,0|1,0,0]=3
17  B4R0.2  OCCCO M28314 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.3  C[N+](C)(C)[O-] M20029 [2,0,0,0,0,0|0,0,1]=3
19  B6R0.2  CC(C)CC(=O)O M20269 [1,1,0,0,0,0|1,0,1]=4
20  B6R0.2  CN(C)CC(=O)O M17822 [1,1,0,0,0,0|0,0,2]=4
21  B8R0.30  C#CC[N+](C)(C)CCO M28160 [0,2,0,0,0,0|0,0,0]=2
22  B6R1.2  CN1CCCC1 M21557 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.72  C[N+]1([O-])CCOCC1 M15863 [0,1,0,1,0,0|1,0,0]=3