0  B4R0.1  C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|2,0,1]=3
1  B3R0.1  N\C=N/O BB12-3512 [1,0,0,0,0,0|2,0,1]=4
2  B3R0.1  [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.2  CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.1  CCOC(C)=N BB12-3674 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.1  CNCC(C)=O BB12-3010 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.1  CNCC(C)O BB12-1288 [0,1,0,0,0,0|2,0,0]=3
7  B5R0.3  CCC(C)NC BB53-1672 [0,1,0,0,0,0|1,0,0]=2
8  B5R0.3  CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.3  CNC(C)CO BB12-1570 [0,1,0,0,0,0|0,0,0]=1
10  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [0,1,0,0,0,0|1,0,1]=3
11  B5R0.4  CC(C)(N)CO BB17-0635 [0,1,0,0,0,0|0,0,0]=1
12  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|1,0,2]=4
13  B5R1.2  O=C1CNC1 BB20-3400 [0,0,0,1,0,0|2,0,1]=4
14  B4R0.2  CSCCCl BB53-1396 [1,1,0,0,0,0|1,0,0]=3
15  B4R0.2  CSCCN BB12-0970 [1,1,0,0,0,0|1,0,0]=3
16  B6R0.1  CC(CN)CCN BB12-1906 [0,2,0,0,0,0|1,0,0]=3
17  B6R0.1  CCNC(C)CO BB12-1659 [0,2,0,0,0,0|0,0,0]=2
18  B6R0.1  CC[C@H](N)COC BB20-3253 [0,2,0,0,0,0|1,0,0]=3
19  B6R0.1  CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|1,0,1]=4
20  B6R0.1  CNC(C)CCO BB12-1373 [0,2,0,0,0,0|0,0,0]=2
21  B6R0.1  COC(=O)CCO BB12-1300 [0,2,0,0,0,0|1,0,1]=4
22  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|1,0,0]=3
23  B6R0.3  CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|0,0,2]=4
24  B6R0.3  CC(C)\C(N)=N\O BB53-1938 [0,2,0,0,0,0|0,0,1]=3
25  B6R0.3  CC(CN)N(C)C BB12-3256 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.3  CC(CO)[N+](=O)[O-] BB12-1675 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.3  CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.3  COC(=N)C(C)C BB12-3132 [0,2,0,0,0,0|0,0,1]=3
29  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|0,0,1]=3
30  B6R0.4  C=CCNC(C)C BB12-1319 [0,2,0,0,0,0|1,0,0]=3
31  B6R0.4  CC(C)CN=C=O BB01-8145 [0,2,0,0,0,0|0,0,1]=3
32  B6R0.4  CC(C)SCCCl BB53-1373 [0,2,0,0,0,0|1,0,0]=3
33  B6R0.4  CC(C)SCCN BB53-1544 [0,2,0,0,0,0|1,0,0]=3
34  B6R0.4  CC(C)SCCO BB53-1392 [0,2,0,0,0,0|0,0,0]=2
35  B6R0.4  CCNCC(C)O BB12-1676 [0,2,0,0,0,0|2,0,0]=4
36  B6R0.4  [C-]#[N+]CCN(C)C BB56-1617 [0,2,0,0,0,0|2,0,0]=4
37  B6R0.5  C(=O)NC(C)(C)C BB20-3385 [0,2,0,0,0,0|0,0,2]=4
38  B6R0.5  COCC(C)(C)N BB53-1697 [0,2,0,0,0,0|0,0,0]=2
39  B6R0.5  CS(=O)(=O)CCO BB53-1360 [0,2,0,0,0,0|2,0,0]=4
40  B6R0.8  CCC(C)(N)CO BB56-2220 [0,2,0,0,0,0|0,0,0]=2
41  B6R0.9  CCC(C#N)NC BB12-1702 [0,2,0,0,0,0|1,0,1]=4
42  B6R1.2  OC1CNOC1 BB12-1709 [0,1,0,1,0,0|1,0,0]=3
43  B6R1.2  O[C@@H]1CCNC1 BB12-3487 [0,1,0,1,0,0|2,0,0]=4
44  B6R1.3  CC#CC1CC1 BB12-2979 [0,1,0,1,0,0|1,0,1]=4
45  B6R1.3  S=C=NC1CC1 BB53-1314 [0,1,0,1,0,0|0,1,1]=4
46  B6R1.11  N=C(N)C1CC1 BB53-1675 [0,1,0,1,0,0|1,0,1]=4
47  B6R1.11  NC(=S)C1CC1 BB12-3485 [0,1,0,1,0,0|0,1,1]=4
48  B6R1.6  NCC1CCC1 BB12-1679 [0,1,0,1,0,0|1,0,0]=3