0  B5R0.3  CC\C(N)=N\O BB12-3467 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.3  CNC(C)CO BB12-1570 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.1  C#CC(=O)OCC BB53-1426 [0,1,0,0,0,0|2,0,1]=4
4  B6R0.1  CCC\C(N)=N\O BB10-0037 [0,1,0,0,0,0|3,0,0]=4
5  B6R0.1  CCNC(C)CO BB12-1659 [0,1,0,0,0,0|2,0,1]=4
6  B6R0.1  CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.1  CNC(=O)CC#N BB12-1423 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.1  CNC(=O)CCCl BB12-1619 [0,1,0,0,0,0|3,0,0]=4
9  B6R0.1  CNC(=O)CCN BB12-1715 [0,1,0,0,0,0|3,0,0]=4
10  B6R0.1  CNC(=O)CCO BB12-3660 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.1  CNCC(=O)NN BB12-1497 [0,1,0,0,0,0|3,0,0]=4
12  B6R0.1  COC(=O)CCN BB12-2761 [0,1,0,0,0,0|3,0,0]=4
13  B6R0.1  COC(=O)CCO BB12-1300 [0,1,0,0,0,0|2,0,0]=3
14  B6R0.1  COC\C(N)=N\O BB20-4328 [0,1,0,0,0,0|2,0,0]=3
15  B6R0.1  CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|2,1,0]=4
16  B6R0.1  N\C(CCO)=N/O BB12-3471 [0,1,0,0,0,0|2,0,0]=3
17  B6R0.3  CC(C)C(=O)NN BB12-1583 [0,1,0,0,0,0|3,0,0]=4
18  B6R0.3  CC(C)\C(N)=N\O BB53-1938 [0,1,0,0,0,0|3,0,0]=4
19  B6R0.3  CN(C)C(=O)CO BB12-3698 [0,1,0,0,0,0|2,0,0]=3
20  B6R0.3  CNC(=O)C(C)Br BB12-1295 [0,1,0,0,0,0|3,0,0]=4
21  B6R0.8  CCC(C)(N)CO BB56-2220 [0,1,0,0,0,0|2,0,1]=4
22  B6R1.2  OC1CNOC1 BB12-1709 [0,0,0,1,0,0|1,0,2]=4
23  B3R0.1  NNC=O BB12-2770 [2,0,0,0,0,0|2,0,0]=4
24  B3R0.1  N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4
25  B3R0.2  CS(=O)[O-] BB12-1172 [2,0,0,0,0,0|1,0,1]=4
26  B5R0.1  CCOC(C)=N BB12-3674 [1,1,0,0,0,0|2,0,0]=4
27  B5R0.1  CNCC(C)=O BB12-3010 [1,1,0,0,0,0|1,0,0]=3
28  B5R0.4  CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|1,0,1]=4
29  B5R0.5  CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|2,0,0]=4
30  B7R0.3  C=CCNC(=O)CCl BB17-2019 [0,2,0,0,0,0|2,0,0]=4
31  B7R0.3  CCC(=O)NCCN BB12-2323 [0,2,0,0,0,0|2,0,0]=4
32  B7R0.3  COCCC(=O)NN BB20-4502 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.3  COCC\C(N)=N\O BB12-3470 [0,2,0,0,0,0|2,0,0]=4
34  B7R0.5  CN(C)C(=O)CCO BB12-3663 [0,2,0,0,0,0|2,0,0]=4
35  B7R0.7  CCOC(=O)CCO BB12-1446 [0,2,0,0,0,0|1,0,0]=3
36  B7R0.10  CCN(C)C(=O)CCl BB12-2479 [0,2,0,0,0,0|2,0,0]=4
37  B7R0.11  CCS(=O)(=O)CCO BB53-1534 [0,2,0,0,0,0|2,0,0]=4
38  B7R0.14  CC(C)(C)C(=O)CN BB12-1271 [0,2,0,0,0,0|2,0,0]=4
39  B5R1.2  O=C1CNC1 BB20-3400 [1,0,0,1,0,0|1,0,0]=3
40  B7R1.1  OCC1=COC=C1 BB12-2281 [0,1,0,1,0,0|1,0,1]=4
41  B7R1.2  O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|1,0,1]=4
42  B7R1.4  NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|2,0,0]=4