0  B5R0.1  CC(C)=CCO T4747 [0,0,0,0,0,0|1,1,2]=4
1  B5R0.1  CC(C)\C=N\O T4930 [0,0,0,0,0,0|2,1,0]=3
2  B5R0.1  C[C@@H](O)CCO T19538 [0,0,0,0,0,0|2,1,1]=4
3  B4R0.1  CC(O)CO T5619 [1,0,0,0,0,0|1,1,1]=4
4  B4R0.1  C\N=[N+](\C)[O-] T13565 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.2  CC(C)CC(=O)O T5609 [0,1,0,0,0,0|1,1,1]=4
6  B6R0.2  CC(C)CC(N)=O T0361 [0,1,0,0,0,0|1,1,1]=4
7  B6R0.2  CC(C)SC(=N)N T23300 [0,1,0,0,0,0|2,0,1]=4
8  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,1]=4
9  B3R0.2  CS(C)=O T0341 [2,0,0,0,0,0|1,1,0]=4
10  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,1,1]=4
11  B5R1.3  N#CC1CC1 T0536 [1,0,0,1,0,0|1,0,1]=4