0  B6R0.6  COCCC[N+]#[C-] ISN-0107 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.2  CCCC[N+]#[C-] ISN-0088 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  COCC[N+]#[C-] ISN-0740 [1,0,0,0,0,0|1,1,1]=4
3  B7R0.3  CSCCC(CO)N BAL-0316 [0,1,0,0,0,0|3,0,0]=4
4  B8R1.8  CSCC1CCCN1 C5A-0003 [0,1,0,1,0,0|2,0,0]=4
5  B8R1.8  CSCC1CCCN1 C5A-0003 [0,1,0,1,0,0|2,0,0]=4