0  B3R0.1  CC[N+]#[C-] ISN-0734 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.1  C(C#N)C(=S)N MIX-0610 [0,1,0,0,0,0|1,1,1]=4
2  B5R0.3  CCC(C)[N+]#[C-] ISN-0025 [0,1,0,0,0,0|1,0,1]=3
3  B6R0.2  CC(=O)NC(=N)N MIX-0913 [0,2,0,0,0,0|1,0,1]=4
4  B6R0.4  CN(C)CC[N+]#[C-] ISN-0105 [0,2,0,0,0,0|2,0,0]=4
5  B6R0.8  CCC(C)(CO)N BAL-0315 [0,2,0,0,0,0|0,0,2]=4