0  B5R0.1  CC(C)=CCO T4747 [0,0,0,0,0,0|1,0,3]=4
1  B4R0.1  O=CC(=O)O T4843 [1,0,0,0,0,0|2,0,1]=4
2  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,1,0,0,0,0|1,0,1]=3
4  B6R0.2  CC(C)CC(N)=O T0361 [0,1,0,0,0,0|1,0,0]=2
5  B6R0.2  CC(O)CC(=O)O T4947 [0,1,0,0,0,0|2,0,0]=3
6  B3R0.2  CC(N)=O BBP01223 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,1]=4
8  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,0,0]=2
9  B5R0.3  O=CC(O)CO T4918 [1,1,0,0,0,0|1,0,0]=3
10  B5R0.5  CC(=O)C(=O)O T4804 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.5  CC(=O)C(C)=O T4774 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|0,0,0]=2
13  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|1,0,0]=3
16  B7R0.9  CC(=O)CC(C)(C)N BBP01274 [0,2,0,0,0,0|1,0,0]=3
17  B7R0.9  CC(C)(O)CC(=O)O T0613 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.9  C[N+](C)(C)CC(=O)O T0019 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.9  C[N+](C)(C)CC(=O)[O-] T3243 [0,2,0,0,0,0|2,0,0]=4
20  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [0,2,0,0,0,0|1,0,0]=3
21  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,2,0,0,0,0|2,0,0]=4
22  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,1,0,1,0,0|2,0,0]=4