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