0  B6R0.1  C#CC(=O)OCC BB53-1426 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.1  CCC\C(N)=N\O BB10-0037 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.1  CCNC(=S)NN BB12-3098 [0,0,0,0,0,0|4,0,0]=4
3  B6R0.1  CCNC(C)CO BB12-1659 [0,0,0,0,0,0|1,0,3]=4
4  B5R0.1  CCOC(C)=N BB12-3674 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.1  CNCC(C)=O BB12-3010 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.3  CCC(C)NC BB53-1672 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.3  CC\C(N)=N\O BB12-3467 [1,0,0,0,0,0|2,0,1]=4
8  B5R0.3  [C-]#[N+]C(C)CC BB56-1204 [1,0,0,0,0,0|2,0,1]=4
9  B7R0.2  C\C(C=O)=C\N(C)C BB12-3546 [0,1,0,0,0,0|1,0,0]=2
10  B7R0.3  CCO\C=C(\C)C=O BB12-3547 [0,1,0,0,0,0|0,0,0]=1
11  B7R0.5  CCSC(C)C(=O)O BB12-3261 [0,1,0,0,0,0|1,0,1]=3
12  B7R0.5  CNCC(C)C(=O)O BB12-1637 [0,1,0,0,0,0|1,0,2]=4
13  B7R1.2  CC1=CC(C)=NO1 BB01-6357 [0,0,0,1,0,0|1,0,2]=4
14  B7R1.4  CC1=C(Br)SC=C1 BB56-2325 [0,0,0,1,0,0|2,0,1]=4
15  B6R0.2  CC(N)CC(=O)O BB12-2890 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.4  CCSCC(=O)O BB12-3264 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.4  CNCCC(=O)O BB12-1452 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.4  COCCC(=O)Cl BB20-1617 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.3  CCOC(=O)C(=O)CC BB12-2925 [0,2,0,0,0,0|2,0,0]=4
20  B8R1.1  CC1=CC(C=O)=NN1 BB12-3191 [0,1,0,1,0,0|1,0,1]=4
21  B8R1.1  CC1=CSC(CN)=N1 BB12-3520 [0,1,0,1,0,0|1,1,0]=4
22  B8R1.1  CC1=CSC(CO)=N1 BB12-3372 [0,1,0,1,0,0|1,1,0]=4
23  B8R1.1  CCC1=NC=C(Br)S1 BB17-0162 [0,1,0,1,0,0|2,0,0]=4
24  B8R1.1  CCN1C=C(Br)C=N1 BB55-3825 [0,1,0,1,0,0|2,0,0]=4
25  B8R1.1  CN1C=C(C=O)C=N1 BB12-1724 [0,1,0,1,0,0|1,0,1]=4
26  B8R1.1  CN1C=C(CN)C=N1 BB12-1597 [0,1,0,1,0,0|2,0,0]=4
27  B8R1.2  O=CC1CC=CCC1 BB01-8334 [0,1,0,1,0,0|0,0,2]=4
28  B8R1.3  CC1=CN=C(C)N=C1 BB17-2149 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.50  CN1C(=O)CNC1=O BB26-0158 [0,1,0,1,0,0|2,0,0]=4
30  B8R1.7  NC(=O)[C@@H]1CCCN1 BB12-3488 [0,1,0,1,0,0|1,0,1]=4
31  B8R1.11  CC1=C(CCl)NC=N1 BB12-3020 [0,1,0,1,0,0|2,0,0]=4
32  B8R1.11  CC1=C(CCl)SC=N1 BB12-3521 [0,1,0,1,0,0|1,1,0]=4
33  B8R1.11  CC1=C(CN)NC=N1 BB12-3035 [0,1,0,1,0,0|2,0,0]=4
34  B8R1.11  CC1=C(CN)SC=C1 BB12-1657 [0,1,0,1,0,0|1,1,0]=4
35  B8R1.11  CC1=C(CO)C=CO1 BB90-0116 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.11  CCC1=NNC=C1Br BB12-3523 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.11  CCC1CCCC1=O BB12-2911 [0,1,0,1,0,0|0,0,2]=4
38  B8R1.11  CN1N=CC=C1C=O BB55-3814 [0,1,0,1,0,0|1,0,1]=4