0  B5R0.4  CNS(C)(=O)=O CS-W008054 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.4  COS(C)(=O)=O CS-W004702 [0,0,0,0,0,0|1,0,0]=1
2  B4R0.1  CCC(=N)O CS-W016688 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  COC(=N)N CS-W019574 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.3  CS(=O)(=O)[O-] CS-0084592 [1,0,0,0,0,0|0,0,1]=2
5  B4R0.3  CS(C)(=O)=O CS-0017786 [1,0,0,0,0,0|1,0,0]=2
6  B4R0.3  CS(N)(=O)=O CS-W020062 [1,0,0,0,0,0|1,0,0]=2
7  B4R0.3  C[S+](C)(C)=O CS-W018549 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.5  O=S(=O)(O)CCO CS-W019640 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.7  CN(C)S(N)(=O)=O CS-W011181 [0,1,0,0,0,0|2,0,0]=3
10  B3R0.2  CC(=O)O CS-W019776 [2,0,0,0,0,0|1,0,0]=3
11  B3R0.2  CC(=O)[O-] CS-0082496 [2,0,0,0,0,0|1,0,1]=4
12  B3R0.2  CC(=O)[O-] CS-0084525 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CC(=O)[O-] CS-W002072 [2,0,0,0,0,0|1,0,1]=4
14  B3R0.2  CC(=O)[O-] CS-W004700 [2,0,0,0,0,0|1,0,1]=4
15  B3R0.2  CC(=O)[O-] CS-W020594 [2,0,0,0,0,0|1,0,1]=4
16  B5R0.1  COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|2,0,0]=4
17  B5R0.3  COC(=O)CN CS-W018508 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.3  COC(=O)NN CS-0015902 [1,1,0,0,0,0|2,0,0]=4
19  B5R0.5  CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.9  CC(C)OS(C)(=O)=O CS-W022766 [0,2,0,0,0,0|1,0,0]=3