0  B4R0.1  C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|2,0,1]=3
1  B3R0.1  NNC=O BB12-2770 [1,0,0,0,0,0|2,0,0]=3
2  B3R0.1  N\C=N/O BB12-3512 [1,0,0,0,0,0|2,0,1]=4
3  B3R0.1  [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|2,0,1]=4
4  B3R0.2  CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|1,0,1]=3
5  B5R0.1  CCOC(C)=N BB12-3674 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.1  CNCC(C)=O BB12-3010 [0,1,0,0,0,0|1,0,1]=3
7  B5R0.3  CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.3  CNC(=S)NN BB12-2784 [0,1,0,0,0,0|2,1,0]=4
9  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|1,0,1]=3
10  B5R1.2  O=C1CNC1 BB20-3400 [0,0,0,1,0,0|1,0,1]=3
11  B6R0.1  C#CC(=O)OCC BB53-1426 [0,2,0,0,0,0|1,0,1]=4
12  B6R0.1  CNC(=O)CC#N BB12-1423 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.1  CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.1  CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|1,0,1]=4
15  B6R0.1  CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|0,0,2]=4
16  B6R0.1  CNCC(=O)NN BB12-1497 [0,2,0,0,0,0|2,0,0]=4
17  B6R0.1  COC(=O)CCN BB12-2761 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.1  COC(=O)CCO BB12-1300 [0,2,0,0,0,0|0,0,2]=4
19  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|1,0,1]=4
21  B6R0.3  CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.3  CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|0,0,2]=4
23  B6R0.3  CN(C)C(=O)NN BB12-2766 [0,2,0,0,0,0|2,0,0]=4
24  B6R0.3  CNC(=O)C(C)Br BB12-1295 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  COC(=O)N(C)N BB12-2783 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|0,1,1]=4
27  B6R0.3  NC(=O)\C(N)=N\O BB12-3387 [0,2,0,0,0,0|1,0,1]=4
28  B6R0.3  NNC(=O)C(N)=O BB12-2523 [0,2,0,0,0,0|1,0,0]=3
29  B6R0.5  C(=O)NC(C)(C)C BB20-3385 [0,2,0,0,0,0|1,0,1]=4
30  B6R1.2  CC1=CC=NN1 BB56-1939 [0,1,0,1,0,0|2,0,0]=4
31  B6R1.2  CC1=NC=CS1 BB20-4630 [0,1,0,1,0,0|1,1,0]=4
32  B6R1.2  CC1=NNC=N1 BB12-3430 [0,1,0,1,0,0|2,0,0]=4
33  B6R1.2  CC1=NSN=C1 BB12-1747 [0,1,0,1,0,0|1,1,0]=4