0  B6R1.2  BrC1CCSC1 F-399969 [0,0,0,0,0,0|1,0,1]=2
1  B6R1.2  NC1=NCCC1 F-399833 [0,0,0,0,0,0|3,0,0]=3
2  B6R1.2  NC1CCSC1 F-399967 [0,0,0,0,0,0|1,0,1]=2
3  B6R1.2  OC1CCSC1 F-399966 [0,0,0,0,0,0|0,0,2]=2
4  B7R1.2  NC1=CC(=O)CC1 F-369124 [0,1,0,0,0,0|1,0,1]=3
5  B7R1.2  O=C1C=C(Cl)CC1 F-369123 [0,1,0,0,0,0|1,0,1]=3
6  B7R1.4  O=C1OCCC1Br F-333022 [0,1,0,0,0,0|2,0,0]=3
7  B7R1.14  CC1(N)CCCC1 F-361345 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.1  CS(=O)CCN E-004174 [0,0,1,0,0,0|2,0,0]=3
9  B5R0.1  NC(=O)CCCl F-399354 [0,0,1,0,0,0|2,0,0]=3
10  B5R0.2  CNCCSC F-396987 [0,0,1,0,0,0|2,0,0]=3
11  B5R0.3  CNC(=O)CN F-397067 [0,0,1,0,0,0|2,0,0]=3
12  B7R1.3  ClC1CCOCC1 F-332464 [0,0,0,0,0,1|1,1,1]=4
13  B7R1.3  NC1=NCCCC1 F-399847 [0,0,0,0,0,1|2,0,0]=3
14  B7R1.3  NC1CCOCC1 F-368940 [0,0,0,0,0,1|1,1,1]=4
15  B7R1.3  NC1CCSCC1 F-369047 [0,0,0,0,0,1|1,0,1]=3
16  B6R0.1  CCS(=O)CCN F-396992 [0,1,1,0,0,0|2,0,0]=4
17  B6R0.1  CNC(=O)CCCl F-399352 [0,1,1,0,0,0|1,0,0]=3
18  B6R0.4  CNCCS(C)=O F-396988 [0,1,1,0,0,0|2,0,0]=4
19  B6R0.4  O=C([O-])CCCO F-434693 [0,1,1,0,0,0|1,1,0]=4
20  B6R0.6  COCCN=C=O F-332005 [0,1,1,0,0,0|0,1,1]=4
21  B8R1.2  ON=C1CCSCC1 F-369044 [0,1,0,0,0,1|0,0,1]=3
22  B8R1.3  NC1CCS(=O)CC1 F-369046 [0,1,0,0,0,1|2,0,0]=4
23  B8R1.3  O=S1CCC(Cl)CC1 F-369041 [0,1,0,0,0,1|2,0,0]=4
24  B8R1.3  O=S1CCC(O)CC1 F-369038 [0,1,0,0,0,1|2,0,0]=4
25  B8R1.4  O=C1C=C(Cl)CCC1 F-332849 [0,1,0,0,0,1|1,0,1]=4
26  B8R1.72  O=S1(=O)CCCCN1 F-415573 [0,1,0,0,0,1|2,0,0]=4
27  B8R1.8  O=C=NC1CCCC1 F-332006 [0,2,0,0,0,0|1,0,1]=4
28  B8R1.51  O=S1(=O)CCC(Br)C1 F-399968 [0,2,0,0,0,0|2,0,0]=4
29  B8R1.51  O=S1(=O)CCC(O)C1 POD_59/0178 [0,2,0,0,0,0|2,0,0]=4
30  B8R1.22  NC1=NCCCCC1 POD_72/0484 [0,0,0,0,0,2|2,0,0]=4