0  B9R0.5  CCCC(=O)NCCSC 2245988 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.7  CCOC(=O)CC[NH3+] 10855676 [2,0,0,0,0,0|1,0,0]=3
2  B11R1.248  C1CCCCC(=NO)CCC1 274631 [0,1,0,1,0,0|1,0,1]=4
3  B11R2.678  C1CC2CC(C1)NC(=S)C2 3945419 [0,0,0,2,0,0|1,1,0]=4