0  B3R0.2  CS(=O)[O-] BB12-1172 [0,0,0,0,0,0|1,0,0]=1
1  B4R0.1  C\C(N)=N\O BB53-1937 [0,1,0,0,0,0|2,0,1]=4
2  B3R0.1  NNC=O BB12-2770 [1,1,0,0,0,0|2,0,0]=4
3  B3R0.1  [C-]#[N+]CC BB56-1802 [1,1,0,0,0,0|1,0,1]=4
4  B5R0.1  CCOC(C)=N BB12-3674 [0,2,0,0,0,0|2,0,0]=4
5  B5R0.1  CNCC(C)=O BB12-3010 [0,2,0,0,0,0|1,0,0]=3
6  B5R0.1  CNCC(C)O BB12-1288 [0,2,0,0,0,0|1,0,1]=4
7  B5R0.3  CCC(C)NC BB53-1672 [0,2,0,0,0,0|2,0,0]=4
8  B5R0.3  CNC(C)CO BB12-1570 [0,2,0,0,0,0|1,0,1]=4
9  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,2,0,0,0,0|2,0,0]=4
10  B5R0.4  CC(C)(N)CO BB17-0635 [0,2,0,0,0,0|1,0,1]=4
11  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,2,0,0,0,0|2,0,0]=4
12  B5R1.2  O=C1CNC1 BB20-3400 [0,1,0,1,0,0|1,0,0]=3