0  B5R0.5  CC(Cl)C(N)=O BB12-1307 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.3  CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|2,0,0]=3
3  B6R0.3  CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.3  CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.3  CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.3  CN(C)C(=O)NN BB12-2766 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.3  CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  COC(=N)C(C)C BB12-3132 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.3  COC(=O)N(C)N BB12-2783 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.3  CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|0,1,0]=2
11  B6R0.3  NC(=O)\C(N)=N\O BB12-3387 [0,1,0,0,0,0|2,0,1]=4
12  B6R1.11  N=C(N)C1CC1 BB53-1675 [0,0,0,1,0,0|3,0,0]=4
13  B6R1.11  NC(=S)C1CC1 BB12-3485 [0,0,0,1,0,0|2,1,0]=4
14  B6R0.2  CC(N)CC(=O)O BB12-2890 [0,0,0,0,0,1|1,0,0]=2
15  B3R0.1  NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4
16  B3R0.1  N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.1  [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|2,0,0]=4
18  B3R0.2  CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.1  CCOC(C)=N BB12-3674 [1,1,0,0,0,0|2,0,0]=4
20  B5R0.1  CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.1  CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,0,1]=4
22  B5R0.3  CC\C(N)=N\O BB12-3467 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.3  CNC(C)CO BB12-1570 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.4  CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|1,0,1]=4
25  B7R0.2  CC(C)CC(=O)NN BB12-2655 [0,1,0,0,0,1|2,0,0]=4
26  B7R0.2  CCN(C)CC(=O)O BB12-1321 [0,1,0,0,0,1|2,0,0]=4
27  B7R0.2  CNC(=O)CC(C)N BB12-1658 [0,1,0,0,0,1|2,0,0]=4
28  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,1,0,0,0,1|1,0,0]=3
29  B7R0.9  CC(C)(C)OC(N)=O BB56-2323 [0,1,0,0,0,1|2,0,0]=4
30  B7R0.16  CC(C(=O)O)C(=O)O BB20-4558 [0,1,0,0,0,1|1,0,1]=4
31  B7R0.16  CC(C(=O)O)N(C)C BB12-1429 [0,1,0,0,0,1|2,0,0]=4
32  B7R0.5  CC(NC=O)C(=O)O BB12-1345 [0,2,0,0,0,0|0,0,1]=3
33  B7R0.5  CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|0,1,0]=3
34  B7R0.5  CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4
35  B7R0.5  CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|1,0,0]=3
36  B7R0.10  CNC(=O)C(C)NC BB12-3606 [0,2,0,0,0,0|2,0,0]=4
37  B7R0.13  CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|1,0,0]=3
38  B7R0.14  CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|2,0,0]=4
39  B7R0.14  CC(C)(C)C(=O)NN BB12-2638 [0,2,0,0,0,0|2,0,0]=4
40  B5R1.2  O=C1CNC1 BB20-3400 [1,0,0,1,0,0|2,0,0]=4
41  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,0,0,1,0,1|1,0,1]=4
42  B7R1.4  NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|2,0,0]=4
43  B7R1.18  NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|2,0,0]=4
44  B7R1.22  N\C(=N/O)C1CC1 BB10-0038 [0,1,0,1,0,0|2,0,0]=4
45  B7R0.6  CC(C)SCC(=O)O BB12-3365 [0,0,0,0,0,2|1,0,0]=3