0  B5R0.1  C=CNC(N)=O F2163-0175 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CC(C)=CCN F8888-0116 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CC(C)=CCN F8888-1877 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  N#CCC(=O)Cl F8889-2769 [0,0,0,0,0,0|2,0,2]=4
4  B4R0.1  C=CC(C)N F8888-5527 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.3  CCC(F)C(=O)O F2147-5487 [0,1,0,0,0,0|0,0,2]=3
6  B6R0.4  C#C\C=C\C(=O)O F1913-6731 [0,1,0,0,0,0|0,0,1]=2
7  B6R0.4  CSSCC(=O)O F8881-3230 [0,1,0,0,0,0|1,0,1]=3
8  B6R0.4  NC\C=C\C(N)=O F1913-0315 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.4  O=C(Cl)\C=C\CBr F1913-5652 [0,1,0,0,0,0|1,0,0]=2
10  B6R0.4  O=C(Cl)\C=C\CCl F1913-6643 [0,1,0,0,0,0|1,0,0]=2
11  B6R0.4  O=C(O)\C=C\CF F0006-0316 [0,1,0,0,0,0|0,0,0]=1
12  B6R1.2  FC1=CSC=C1 F2158-1265 [0,0,0,1,0,0|3,0,0]=4
13  B6R1.2  NC1C=CCC1 F2167-7627 [0,0,0,1,0,0|2,0,1]=4
14  B6R1.5  CC1CC(=O)N1 F8883-7271 [0,0,0,1,0,0|1,0,2]=4
15  B5R0.5  CC(=O)C(C)N F1967-1159 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.5  CC(=O)C(N)=S F8881-3127 [1,1,0,0,0,0|1,1,0]=4
17  B5R0.2  N#C\C=C\CN F1913-0335 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.2  N#C\C=C\CS F1913-7699 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.2  C#CC(C)CC(=O)O F1913-0982 [0,2,0,0,0,0|0,0,2]=4
20  B7R0.3  CNC(=O)\C=C\CBr F1913-2923 [0,2,0,0,0,0|1,0,0]=3
21  B7R0.3  CNC(=O)\C=C\CCl F1913-6644 [0,2,0,0,0,0|1,0,0]=3
22  B7R0.3  COC(=O)\C=C\CF F1913-6628 [0,2,0,0,0,0|0,0,0]=2
23  B7R0.3  COC(=O)\C=C\CS F1913-7698 [0,2,0,0,0,0|0,0,0]=2
24  B7R0.5  CCSC(F)C(=O)O F8884-4602 [0,2,0,0,0,0|0,0,2]=4
25  B7R0.5  NC(CCF)C(=O)O F1913-7468 [0,2,0,0,0,0|0,0,2]=4
26  B7R0.5  O=C(O)\C(Br)=C\CO F1913-6627 [0,2,0,0,0,0|0,0,0]=2
27  B7R0.5  O=C(O)\C(F)=C\CO F1913-6626 [0,2,0,0,0,0|0,0,0]=2
28  B7R0.16  CC(C)C(F)C(=O)O F8889-5916 [0,2,0,0,0,0|0,0,2]=4
29  B7R0.15  COC(CN)C(=O)O F8888-0400 [0,2,0,0,0,0|1,0,1]=4
30  B7R0.4  C#CCOCC(=O)O F8885-6186 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.4  CNC\C=C\C(N)=O F1913-0316 [0,2,0,0,0,0|1,0,0]=3
32  B7R0.4  C\C=C\C=C/C(=O)O F2191-0241 [0,2,0,0,0,0|0,0,0]=2
33  B7R0.4  O=C(O)C#CCCO F1913-6697 [0,2,0,0,0,0|0,0,2]=4
34  B7R0.6  O=C(O)CCC(F)F F8880-4978 [0,2,0,0,0,0|0,0,2]=4
35  B7R0.6  O=C(O)COC(F)F F8888-1299 [0,2,0,0,0,0|1,0,1]=4
36  B7R0.6  O=C(O)\C=C\C(F)F F1913-6630 [0,2,0,0,0,0|0,0,0]=2
37  B7R0.8  CC(C)(O)\C=C/CO F1913-7149 [0,2,0,0,0,0|1,0,1]=4
38  B7R1.1  C=CC1=CC=CO1 F1967-3022 [0,1,0,1,0,0|1,0,1]=4
39  B7R1.1  N#CC1=CCCO1 F8881-7352 [0,1,0,1,0,0|1,0,1]=4
40  B7R1.4  O=C1CCCC1O F8888-4387 [0,1,0,1,0,0|0,0,2]=4
41  B7R1.4  OC1=CNN=C1O F2147-5190 [0,1,0,1,0,0|2,0,0]=4
42  B7R1.20  O=C(O)C=C1CC1 F8880-6304 [0,1,0,1,0,0|0,0,0]=2
43  B7R1.18  O=C(O)C1=CCC1 F8889-7863 [0,1,0,1,0,0|0,0,0]=2