0  B6R0.3  C#CC(=O)C(C)C 1200 [0,1,0,0,0,0|1,0,2]=4
1  B6R0.3  CC(CO)C(=O)[O-] 4034 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.3  CC[C@H](O)C(=O)O 3680 [0,1,0,0,0,0|1,0,2]=4
3  B6R0.3  NC(=O)[C@H](N)CS 361 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.3  O=C(O)[C@@H](O)CO 3697 [0,1,0,0,0,0|1,0,2]=4
5  B6R0.7  CC(C)(C)C(N)=O 213 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.1  O=C(O)\C=N\O 1812 [1,1,0,0,0,0|1,0,1]=4
7  B5R0.3  CNC(=O)NN 657 [1,1,0,0,0,0|2,0,0]=4
8  B7R0.10  C=C(CBr)C(=O)OC 1082 [0,2,0,0,0,0|1,0,0]=3
9  B7R1.19  CC(=O)C1(Cl)CC1 1907 [0,1,0,1,0,0|1,0,1]=4