0  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.1  CCCC(C)CO 7745 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  C(CCO)CO 8064 [2,0,0,0,0,0|2,0,0]=4
3  B9R0.5  CCCC(=O)NCCSC 2245988 [0,2,0,0,0,0|0,0,0]=2
4  B9R1.15  CCN1CCCSC1=S 275659 [0,1,0,1,0,0|1,1,0]=4