0  B6R0.5  NCCP(=O)(O)O T4703 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.5  NCCS(=O)(=O)O T0022 [0,0,0,0,0,0|1,0,0]=1
2  B5R0.1  CCCC(=O)O T3943 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.1  NCCC(=O)O T0627 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.8  NCCCS(=O)(=O)O T0883 [0,1,0,0,0,0|1,0,0]=2
5  B7R0.8  NCCOP(=O)(O)O T4881 [0,1,0,0,0,0|2,0,1]=4
6  B4R0.1  CCC(=O)O T4908 [2,0,0,0,0,0|1,0,0]=3
7  B4R0.1  NCC(=O)O T2O2728 [2,0,0,0,0,0|2,0,0]=4
8  B4R0.2  CCCCO T7023 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.2  CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,1,0]=4
10  B6R0.3  CC(CN)C(=O)O T4887 [1,1,0,0,0,0|2,0,0]=4
11  B6R0.3  NCC(N)C(=O)O T4755 [1,1,0,0,0,0|2,0,0]=4
12  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [1,1,0,0,0,0|1,1,0]=4
13  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.4  CCCCC(=O)O T4792 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.4  NCCCC(=O)O T0508 [1,1,0,0,0,0|2,0,0]=4