0  B3R0.1  CC[N+]#[C-] ISN-0734 [1,0,0,0,0,0|3,0,0]=4
1  B5R0.1  C(C#N)C(=S)N MIX-0610 [0,1,0,0,0,0|1,1,1]=4
2  B6R0.2  CC(=O)NC(=N)N MIX-0913 [0,2,0,0,0,0|1,0,1]=4