0  B4R0.1  C#CC(C)N F8880-5914 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(Br)CCl F0001-2454 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.1  CC(F)CO F2147-5480 [0,0,0,0,0,0|2,0,0]=2
3  B5R0.1  CC(O)CC#N F1913-2479 [0,1,0,0,0,0|1,0,1]=3
4  B5R0.1  CC(O)CCN F8880-3625 [0,1,0,0,0,0|1,0,0]=2
5  B5R0.1  CNCC(N)=O F8880-4275 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.3  CCC(Cl)C#N F8880-4664 [0,1,0,0,0,0|1,0,2]=4
7  B5R0.3  COC(C)CN F3377-0028 [0,1,0,0,0,0|0,0,0]=1
8  B5R0.4  C=CC(C)(C)N F1913-0538 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.4  CC(F)(F)CN F8881-8998 [0,1,0,0,0,0|1,0,0]=2
10  B5R1.2  CC1CCN1 F8888-7636 [0,0,0,1,0,0|2,0,0]=3
11  B5R1.2  NC1CSC1 F1907-0861 [0,0,0,1,0,0|2,0,0]=3
12  B4R0.2  C#CCCI F8886-7611 [1,1,0,0,0,0|1,0,1]=4
13  B4R0.2  NOCCO F8881-5119 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.1  CCC(C)CNC F8889-4114 [0,2,0,0,0,0|0,0,0]=2
15  B6R0.1  CCS(=O)CCN F2147-1018 [0,2,0,0,0,0|2,0,0]=4
16  B6R0.1  COCC(N)CO F8888-1239 [0,2,0,0,0,0|2,0,0]=4
17  B6R0.2  CC(=O)CC(C)N F1791-1136 [0,2,0,0,0,0|1,0,1]=4
18  B6R0.2  CC(=O)CC(C)N F1997-0017 [0,2,0,0,0,0|1,0,1]=4
19  B6R0.3  CC(CN)N(C)C F2186-0046 [0,2,0,0,0,0|0,0,0]=2
20  B6R0.3  CN(C)C(=O)CO F8888-3631 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.4  CC(C)CN=[N+]=[N-] F8886-6502 [0,2,0,0,0,0|0,0,1]=3
22  B6R0.4  CC(C)NCCCl F2147-1524 [0,2,0,0,0,0|1,0,0]=3
23  B6R0.4  CCCNC(C)C F8889-6089 [0,2,0,0,0,0|1,0,0]=3
24  B6R0.4  CCNCC(C)C F8880-2710 [0,2,0,0,0,0|0,0,0]=2
25  B6R0.4  CCOCC(C)N F2167-3742 [0,2,0,0,0,0|2,0,0]=4
26  B6R0.5  CNCC(C)(C)C F8888-7503 [0,2,0,0,0,0|0,0,0]=2
27  B6R0.8  CNC(C)(C)C#N F1983-0019 [0,2,0,0,0,0|0,0,2]=4
28  B6R0.8  CSC(C)(C)C=O F2147-8708 [0,2,0,0,0,0|1,0,1]=4
29  B6R0.8  CSC(C)(C)CN F2147-8709 [0,2,0,0,0,0|0,0,0]=2
30  B6R0.8  CSC(C)(C)CN F8880-5004 [0,2,0,0,0,0|0,0,0]=2
31  B6R1.2  NC1CCSC1 F2147-1613 [0,1,0,1,0,0|2,0,0]=4
32  B6R1.3  CCNC1CC1 F8889-2389 [0,1,0,1,0,0|1,0,0]=3
33  B6R1.3  NNCC1CC1 F8881-7483 [0,1,0,1,0,0|0,0,0]=2
34  B6R1.3  NOCC1CC1 F8885-6337 [0,1,0,1,0,0|0,0,0]=2
35  B6R1.5  CC1CC(C)N1 F8887-5508 [0,1,0,1,0,0|1,0,0]=3
36  B6R1.9  NC1CC1(F)F F2147-3887 [0,1,0,1,0,0|1,0,0]=3
37  B6R1.10  CC1(C)CNC1 F8889-6575 [0,1,0,1,0,0|0,0,0]=2
38  B6R1.10  CC1(F)CNC1 F8888-7530 [0,1,0,1,0,0|0,0,0]=2
39  B6R1.6  CCC1CNC1 F8881-5075 [0,1,0,1,0,0|0,0,0]=2