0  B3R0.1  NCCO T4910 [0,0,0,0,0,0|3,0,0]=3
1  B3R0.1  NCCS T1080 [0,0,0,0,0,0|3,0,0]=3
2  B2R0.1  NC=O T4767 [1,0,0,0,0,0|1,0,2]=4
3  B4R0.1  CCC(=O)O T4908 [0,1,0,0,0,0|2,0,1]=4
4  B4R0.1  CNC(=N)N T4904 [0,1,0,0,0,0|2,0,1]=4
5  B4R0.1  NCC(=O)O T2O2728 [0,1,0,0,0,0|3,0,0]=4
6  B4R0.2  CCCCO T7023 [0,1,0,0,0,0|2,0,0]=3
7  B4R0.2  NCCCN T4782 [0,1,0,0,0,0|2,0,0]=3
8  B3R0.2  CC(N)=O BBP01223 [1,1,0,0,0,0|1,0,1]=4
9  B3R0.2  CN(C)C T4827 [1,1,0,0,0,0|1,0,0]=3
10  B5R0.1  CC(C)=CCO T4747 [0,2,0,0,0,0|2,0,0]=4
11  B5R0.1  CCCC(=O)O T3943 [0,2,0,0,0,0|2,0,0]=4
12  B5R0.3  CCC(C)C=O T5090 [0,2,0,0,0,0|2,0,0]=4
13  B5R0.3  OCC(O)CO BBP03456 [0,2,0,0,0,0|2,0,0]=4
14  B5R0.3  OCC(O)CO T4776 [0,2,0,0,0,0|2,0,0]=4
15  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|2,0,0]=4
16  B5R0.2  NCCCCN T4865 [0,2,0,0,0,0|2,0,0]=4