0  B8R1.50  CN1C(=O)CSC1=S 72900 [0,1,0,0,0,0|3,0,0]=4
1  B6R0.1  CCCC(C)CO 7745 [0,0,1,0,0,0|1,0,2]=4
2  B5R0.2  C(CCO)CO 8064 [1,0,1,0,0,0|1,0,1]=4
3  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [0,1,1,0,0,0|1,0,0]=3
4  B7R0.12  CCN(CC)CCO 7497 [0,1,1,0,0,0|2,0,0]=4