0  B6R0.5  C[N+](C)(C)CCO T1039 [0,0,0,0,0,0|0,0,0]=0
1  B6R0.5  C[N+](C)(C)CCO T14341 [0,0,0,0,0,0|0,0,0]=0
2  B6R0.5  O=S(=O)([O-])CCO T5303 [0,0,0,0,0,0|4,0,0]=4
3  B5R0.1  CC(C)=CCO T4747 [1,0,0,0,0,0|1,0,1]=3
4  B5R0.1  CC(C)\C=N\O T4930 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.1  C[C@@H](O)CCO T19538 [1,0,0,0,0,0|2,0,0]=3
6  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.9  CC(O)CC(C)(C)O T0763 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.9  C[N+](C)(C)CC(=O)O T0019 [0,1,0,0,0,0|0,0,1]=2
9  B7R0.9  C[N+](C)(C)CC(=O)[O-] T3243 [0,1,0,0,0,0|0,0,2]=3
10  B4R0.1  CC(O)CO T5619 [2,0,0,0,0,0|2,0,0]=4
11  B4R0.3  C[N+](C)(C)[O-] T5247 [2,0,0,0,0,0|0,0,1]=3
12  B6R0.2  CC(C)CC(=O)O T5609 [1,1,0,0,0,0|1,0,1]=4
13  B6R0.2  CN(C)CC(=O)O T4120 [1,1,0,0,0,0|0,0,2]=4
14  B8R0.13  C[C@](O)(CO)[C@H](O)CO TN2379 [0,2,0,0,0,0|2,0,0]=4
15  B8R1.72  C[N+]1([O-])CCOCC1 T0636 [0,1,0,1,0,0|1,0,0]=3