0  B5R0.3  CCC(C)[N+]#[C-] ISN-0025 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.8  CCC(C)(CO)N BAL-0315 [0,1,0,0,0,0|0,0,2]=3
2  B3R0.1  CC[N+]#[C-] ISN-0734 [2,0,0,0,0,0|1,0,1]=4
3  B5R0.2  CCCC[N+]#[C-] ISN-0088 [1,1,0,0,0,0|1,0,1]=4
4  B5R0.2  COCC[N+]#[C-] ISN-0740 [1,1,0,0,0,0|2,0,0]=4
5  B7R0.13  CCC(C)(C(=O)O)N AAA-0486 [0,2,0,0,0,0|0,0,0]=2
6  B7R1.1  C1CC(NC1)CO C5A-0373 [0,1,0,1,0,0|0,0,2]=4
7  B7R1.1  C1C[C@@H](NC1)CO C5A-0373 [0,1,0,1,0,0|0,0,2]=4