0  B7R0.4  CNCCCC(=O)O 242011 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.4  O=[N+]([O-])OCCCBr 105835 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.4  CC(C)CCCBr 113000 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.4  CCCCC(C)=O 098350 [1,0,0,0,0,0|0,0,0]=1
4  B8R0.7  O=[N+]([O-])OCCCCO 105836 [0,1,0,0,0,0|2,0,0]=3
5  B8R0.8  CCCCC(N)C(C)C 214312 [0,1,0,0,0,0|2,0,1]=4
6  B8R1.4  C[C@@H]1CCCC(=O)O1 329497 [0,0,0,1,0,0|2,0,0]=3
7  B5R0.1  CCOC(=S)Cl 470560 [2,0,0,0,0,0|1,1,0]=4
8  B5R0.1  CCOC(N)=S 105176 [2,0,0,0,0,0|1,1,0]=4
9  B5R0.1  [2H]C(=O)OCC 105259 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.2  N#CCCC=O 101160 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.3  C=CCOC(=O)CBr 246134 [1,1,0,0,0,0|0,0,2]=4
12  B7R0.5  C=CCC(F)C(C)=O 049763 [1,1,0,0,0,0|0,0,2]=4
13  B7R0.5  CCCC(N)C(C)C 214316 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.5  NC(=O)C(Br)CCBr 105247 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.6  CN(C)CCC(N)=O 043225 [1,1,0,0,0,0|2,0,0]=4
16  B7R0.8  CCCCS(=O)(=O)F 070503 [1,1,0,0,0,0|2,0,0]=4
17  B7R0.1  CCCCCN=C=O 050959 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.1  CCOCCOCC 106089 [1,1,0,0,0,0|0,0,1]=3
19  B7R0.1  COCCOCCN 222494 [1,1,0,0,0,0|1,0,1]=4
20  B9R0.5  CCOC(=O)CCCOC 105225 [0,2,0,0,0,0|2,0,0]=4
21  B9R0.46  COC(=O)CCOCCO 105172 [0,2,0,0,0,0|2,0,0]=4
22  B9R0.55  CC(C)CCSCC(=O)O 354742 [0,2,0,0,0,0|1,1,0]=4
23  B9R1.80  O=C(CCl)NCC1CC1 095990 [0,1,0,1,0,0|1,0,0]=3
24  B9R1.6  NC(=O)N1CCOCC1 215207 [0,1,0,1,0,0|2,0,0]=4
25  B9R1.6  O=C(Cl)N1CCCCC1 513907 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.85  O=C(O)COCC1CC1 538806 [0,1,0,1,0,0|1,0,0]=3
27  B9R1.35  CC(=O)N1CC[C@H](N)C1 087771 [0,1,0,1,0,0|1,0,0]=3
28  B9R1.163  O=C(Cl)C1(Br)CCCC1 075509 [0,1,0,1,0,0|2,0,0]=4