0  B5R0.3  CCC(CC)N R000SG [2,0,0,0,0,0|2,0,0]=4
1  B5R0.4  CC(CO)(F)F R0016K [2,0,0,0,0,0|2,0,0]=4
2  B7R1.25  CC1(COC1)CO R000YW [1,0,0,1,0,0|1,0,0]=3