0  B5R0.2  C(CCO)CO 8064 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.2  C\C=C\CC#N 5324707 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.1  CCCC(C)CO 7745 [1,1,0,0,0,0|0,0,1]=3