0  B4R0.1  CC(=O)CN CS-W004850 [0,0,0,0,0,0|4,0,0]=4
1  B4R0.1  CC(=O)CO CS-0017823 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  CCS(=O)[O-] CS-0020098 [0,0,0,0,0,0|3,0,1]=4
3  B3R0.2  CC(=O)[O-] CS-0084981 [1,0,0,0,0,0|2,0,1]=4
4  B3R0.2  CS(=O)[O-] CS-0019422 [1,0,0,0,0,0|2,0,1]=4
5  B3R0.2  O=C([O-])[O-] CS-B1764 [1,0,0,0,0,0|1,0,2]=4
6  B5R0.4  NOS(=O)(=O)O CS-D1413 [0,1,0,0,0,0|3,0,0]=4
7  B5R0.5  CC(=O)C(=O)[O-] CS-W016629 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.5  O=C(O)C(=O)O CS-W004907 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.3  NS(=O)(=O)Cl CS-0008551 [1,1,0,0,0,0|1,1,0]=4
10  B4R0.3  O=S(=O)(O)O CS-W013315 [1,1,0,0,0,0|1,0,1]=4
11  B4R0.3  O=S(=O)([O-])[O-] CS-0021580 [1,1,0,0,0,0|1,0,1]=4
12  B4R0.3  O=S(=O)([O-])[O-] CS-B1716 [1,1,0,0,0,0|1,0,1]=4