0  B5R0.4  NOS(=O)(=O)O CS-D1413 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  CCS(=O)[O-] CS-0020098 [1,0,0,0,0,0|1,0,2]=4
2  B4R0.3  NS(=O)(=O)Cl CS-0008551 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.3  O=S(=O)(O)O CS-W013315 [1,0,0,0,0,0|0,0,0]=1
4  B4R0.3  O=S(=O)([O-])[O-] CS-0021580 [1,0,0,0,0,0|0,0,2]=3
5  B4R0.3  O=S(=O)([O-])[O-] CS-B1716 [1,0,0,0,0,0|0,0,2]=3
6  B6R0.5  CS(=O)(=O)CCBr CS-0084612 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.7  CC(C)S(N)(=O)=O CS-W005008 [0,1,0,0,0,0|2,0,0]=3
8  B3R0.1  CNOC CS-D1361 [2,0,0,0,0,0|2,0,0]=4
9  B3R0.2  CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|1,0,1]=4
10  B3R0.2  CS(=O)[O-] CS-0019422 [2,0,0,0,0,0|0,0,2]=4
11  B5R0.1  CC#CC(=O)O CS-W007936 [1,1,0,0,0,0|2,0,0]=4
12  B5R0.1  CNCC(=O)O CS-W013507 [1,1,0,0,0,0|2,0,0]=4
13  B5R0.1  COCC(=O)O CS-W020123 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.1  COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|2,0,0]=4
15  B5R0.3  COC(C)CO CS-W011348 [1,1,0,0,0,0|2,0,0]=4
16  B5R0.5  C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|2,0,0]=4
17  B7R0.8  CCCNS(N)(=O)=O CS-0008706 [0,2,0,0,0,0|2,0,0]=4
18  B7R0.8  CCCNS(N)(=O)=O CS-0012532 [0,2,0,0,0,0|2,0,0]=4
19  B7R0.8  CCCNS(N)(=O)=O CS-M1494 [0,2,0,0,0,0|2,0,0]=4
20  B7R0.8  CS(=O)(=O)CCCO CS-W004952 [0,2,0,0,0,0|2,0,0]=4
21  B7R0.8  NCCOS(=O)(=O)O CS-0059227 [0,2,0,0,0,0|0,0,0]=2
22  B7R0.17  O=S(=O)(O)C(F)(F)F CS-0035193 [0,2,0,0,0,0|2,0,0]=4
23  B7R1.14  O=S1(=O)CCCO1 CS-W011195 [0,1,0,1,0,0|1,0,0]=3
24  B7R1.14  O=S1(=O)OCCO1 CS-W007741 [0,1,0,1,0,0|0,0,0]=2
25  B7R1.26  NS(=O)(=O)C1CC1 CS-D1514 [0,1,0,1,0,0|2,0,0]=4