0  B4R0.1  C\C(N)=N/O PKCBB_00009 [0,1,0,0,0,0|2,0,1]=4
1  B5R0.3  CC\C(N)=N/O PKCBB_00008 [0,2,0,0,0,0|2,0,0]=4
2  B5R1.3  CNC1CC1 PKCBB_01231 [0,1,0,1,0,0|1,0,0]=3