0  B4R0.1  C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|3,0,0]=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|3,0,0]=4
3  B3R0.1  [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|1,0,2]=4
4  B3R0.2  CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|1,1,0]=3
5  B5R0.1  CCOC(C)=N BB12-3674 [0,1,0,0,0,0|1,1,0]=3
6  B5R0.1  CNCC(C)=O BB12-3010 [0,1,0,0,0,0|1,0,0]=2
7  B5R0.1  CNCC(C)O BB12-1288 [0,1,0,0,0,0|1,0,2]=4
8  B5R0.3  CCC(C)NC BB53-1672 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.3  CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.3  CNC(=S)NN BB12-2784 [0,1,0,0,0,0|2,1,0]=4
11  B5R0.3  CNC(C)CO BB12-1570 [0,1,0,0,0,0|1,0,2]=4
12  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|2,0,0]=3
14  B5R1.2  O=C1CNC1 BB20-3400 [0,0,0,1,0,0|2,0,0]=3
15  B4R0.2  CSCCCl BB53-1396 [1,1,0,0,0,0|0,0,1]=3
16  B4R0.2  CSCCN BB12-0970 [1,1,0,0,0,0|0,0,1]=3
17  B6R0.1  C#CC(=O)OCC BB53-1426 [0,2,0,0,0,0|0,1,1]=4
18  B6R0.1  CNC(=O)CC#N BB12-1423 [0,2,0,0,0,0|1,0,0]=3
19  B6R0.1  CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.1  CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|1,0,0]=3
21  B6R0.1  CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|1,0,0]=3
22  B6R0.1  CNCC(=O)NN BB12-1497 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.1  COC(=O)CCN BB12-2761 [0,2,0,0,0,0|0,1,0]=3
24  B6R0.1  COC(=O)CCO BB12-1300 [0,2,0,0,0,0|0,1,0]=3
25  B6R0.1  CSC\C(N)=N\O BB12-3469 [0,2,0,0,0,0|1,0,1]=4
26  B6R0.2  CC(=O)NC(=N)N BB56-2578 [0,2,0,0,0,0|1,0,1]=4
27  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.3  CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.3  CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|1,0,0]=3
30  B6R0.3  CN(C)C(=O)NN BB12-2766 [0,2,0,0,0,0|2,0,0]=4
31  B6R0.3  CNC(=O)C(C)Br BB12-1295 [0,2,0,0,0,0|1,0,0]=3
32  B6R0.3  COC(=N)C(C)C BB12-3132 [0,2,0,0,0,0|1,1,0]=4
33  B6R0.3  COC(=O)N(C)N BB12-2783 [0,2,0,0,0,0|0,1,0]=3
34  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|0,0,1]=3
35  B6R0.4  CC(C)SCCCl BB53-1373 [0,2,0,0,0,0|1,0,1]=4
36  B6R0.4  CC(C)SCCN BB53-1544 [0,2,0,0,0,0|1,0,1]=4
37  B6R0.4  CC(C)SCCO BB53-1392 [0,2,0,0,0,0|1,0,1]=4
38  B6R0.4  CCSCC(=O)O BB12-3264 [0,2,0,0,0,0|1,0,0]=3
39  B6R0.4  CNCCC(=O)O BB12-1452 [0,2,0,0,0,0|2,0,0]=4
40  B6R0.4  COCCC(=O)Cl BB20-1617 [0,2,0,0,0,0|1,1,0]=4
41  B6R0.4  CSCCC(=N)N BB12-3715 [0,2,0,0,0,0|2,0,0]=4
42  B6R0.5  CS(=O)(=O)CCN BB53-1620 [0,2,0,0,0,0|2,0,0]=4
43  B6R0.5  CS(=O)(=O)CCO BB53-1360 [0,2,0,0,0,0|2,0,0]=4
44  B6R1.2  CC1=NC=CS1 BB20-4630 [0,1,0,1,0,0|1,0,1]=4
45  B6R1.2  CC1=NSN=C1 BB12-1747 [0,1,0,1,0,0|2,0,0]=4