0  B5R0.1  C(C#N)C(=S)N MIX-0610 [0,0,0,0,0,0|1,1,1]=3
1  B6R0.2  CC(=O)NC(=N)N MIX-0913 [0,1,0,0,0,0|2,0,1]=4
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|0,0,2]=4
4  B5R0.2  COCC[N+]#[C-] ISN-0740 [1,1,0,0,0,0|2,0,0]=4
5  B7R0.3  CCCCC(CO)N BAL-0317 [0,2,0,0,0,0|0,0,2]=4
6  B7R0.3  CSCCC(CO)N BAL-0316 [0,2,0,0,0,0|0,0,2]=4
7  B7R0.7  CCOC(=O)C[N+]#[C-] ISN-0528 [0,2,0,0,0,0|1,0,1]=4
8  B7R0.9  CC(C)(C)OC(=O)N MIX-0831 [0,2,0,0,0,0|1,0,0]=3
9  B7R0.13  CCC(C)(C(=O)O)N AAA-0486 [0,2,0,0,0,0|1,0,0]=3
10  B7R1.1  C1CC(NC1)CO C5A-0373 [0,1,0,1,0,0|0,0,2]=4
11  B7R1.1  C1C[C@@H](NC1)CO C5A-0373 [0,1,0,1,0,0|0,0,2]=4