0  B5R0.3  CCC(C)C=O T5090 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.3  O=C(O[Na])O[Na] T22426 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  CC(O)CO T5619 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.1  COC(N)=O T2151 [1,0,0,0,0,0|1,0,2]=4
4  B4R0.1  C\N=[N+](\C)[O-] T13565 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.2  CSSSC T8034 [1,0,0,0,0,0|1,2,0]=4
6  B6R0.1  COC(=O)CCN T8097 [0,1,0,0,0,0|2,0,1]=4
7  B3R0.1  NCCO T22327 [2,0,0,0,0,0|2,0,0]=4
8  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,0]=3
9  B3R0.2  CS(C)=O T0341 [2,0,0,0,0,0|1,0,1]=4
10  B3R0.2  O[AlH3](O)O T13545 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  CC(C)=CCO T4747 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.1  CC(C)\C=N\O T4930 [1,1,0,0,0,0|2,0,0]=4
13  B5R0.1  C[C@@H](O)CCO T19538 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.5  C[C@@H](O)C(=O)O T10943 [1,1,0,0,0,0|2,0,0]=4
15  B5R0.5  C[C@@H](O)C(=O)[O-] T5220 [1,1,0,0,0,0|2,0,0]=4
16  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.5  C[C@H](O)C(=O)[O-] T4103 [1,1,0,0,0,0|2,0,0]=4
19  B5R1.3  ClCC1CO1 T6344 [1,0,0,1,0,0|2,0,0]=4
20  B5R1.3  ClCC1CO1 T6666 [1,0,0,1,0,0|2,0,0]=4
21  B5R1.3  N#CC1CC1 T0536 [1,0,0,1,0,0|2,0,0]=4