0  B6R0.1  CCC\C(N)=N/O PKCBB_00015 [0,0,1,0,0,0|2,0,1]=4
1  B7R0.15  CC(=O)C(CO)CO ASIS-0171 [0,1,1,0,0,0|2,0,0]=4
2  B5R1.3  CNC1CC1 PKCBB_01231 [0,0,0,0,2,0|2,0,0]=4