0  B5R0.1  NCCC(N)=O 4088784 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  CC(=O)CN 4088212 [1,0,0,0,0,0|1,0,1]=3
2  B6R1.2  CC1=CC=NN1 3020386 [0,0,0,1,0,0|3,0,0]=4
3  B7R1.1  NCC1=CC=NO1 4088965 [0,1,0,1,0,0|2,0,0]=4
4  B7R1.1  NCC1=NC=CS1 4090081 [0,1,0,1,0,0|1,1,0]=4