0  B6R0.5  O=S(=O)(O)CCO CS-W019640 [0,0,0,0,0,0|0,1,0]=1
1  B5R0.1  CC(=O)CCO CS-0044370 [1,0,0,0,0,0|2,1,0]=4
2  B5R0.4  CNS(C)(=O)=O CS-W008054 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.4  COS(C)(=O)=O CS-W004702 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.9  CC(C)OS(C)(=O)=O CS-W022766 [0,1,0,0,0,0|3,0,0]=4
5  B4R0.1  CCC(=N)O CS-W016688 [2,0,0,0,0,0|2,0,0]=4
6  B4R0.2  NCCCO CS-W020089 [2,0,0,0,0,0|2,0,0]=4
7  B4R0.3  CS(=O)(=O)[O-] CS-0084592 [2,0,0,0,0,0|0,0,1]=3
8  B4R0.3  CS(C)(=O)=O CS-0017786 [2,0,0,0,0,0|1,0,0]=3
9  B4R0.3  CS(N)(=O)=O CS-W020062 [2,0,0,0,0,0|1,0,0]=3
10  B6R0.1  COC(=O)CCS CS-0000049 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.2  [C@H](C)(N)CC(=O)O CS-0044025 [1,1,0,0,0,0|2,0,0]=4
12  B6R0.2  [C@H](C)(N)CC(=O)O CS-W005235 [1,1,0,0,0,0|2,0,0]=4
13  B6R0.4  COCCC(=O)O CS-W009112 [1,1,0,0,0,0|1,1,0]=4
14  B6R0.7  CN(C)S(N)(=O)=O CS-W011181 [1,1,0,0,0,0|2,0,0]=4
15  B8R0.30  O=S(=O)(CCO)CCO CS-W019027 [0,2,0,0,0,0|0,1,0]=3
16  B6R1.2  O=C1CCSC1 CS-W011310 [1,0,0,1,0,0|2,0,0]=4
17  B6R1.11  O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.51  NC1CCS(=O)(=O)C1 CS-W005500 [0,1,0,1,0,0|2,0,0]=4