0  B7R0.4  C=C(F)CCCCO 102348 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.4  C=CCCCC(=O)O 102353 [0,0,0,0,0,0|2,0,2]=4
2  B7R0.4  CC(=O)OC\C=C/Br 103141 [0,0,0,0,0,0|1,0,2]=3
3  B7R0.4  CCO\C=C\C(=O)O 103160 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.4  O=[N+]([O-])OCCCBr 22206 [0,0,0,0,0,0|3,0,0]=3
5  B6R0.4  CCCN[N+](=O)[O-] 22283 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.6  CCC#CCCC 102645 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.6  C\C=C/CCCO 102707 [1,0,0,0,0,0|2,0,0]=3
8  B8R0.6  CCCCCC(O)CF 100185 [0,1,0,0,0,0|1,0,2]=4
9  B8R0.6  CCN\C=C\C(=O)OC 13304 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.6  COC(=O)CCCCO 102453 [0,1,0,0,0,0|2,0,0]=3
11  B8R0.7  C=C(C)COCCCC 102301 [0,1,0,0,0,0|1,0,0]=2
12  B8R0.7  C=CCCCOC(C)=O 102329 [0,1,0,0,0,0|0,0,1]=2
13  B8R0.7  CCCC\C=C\C(=O)O 16793 [0,1,0,0,0,0|2,0,0]=3
14  B8R0.7  CCCC\C=C\C(=O)[O-] 12809 [0,1,0,0,0,0|2,0,0]=3
15  B8R0.9  COC(=O)CNC(C)=O 22216 [0,1,0,0,0,0|2,0,1]=4
16  B8R1.1  O=C1CC[C@H](CBr)N1 22002 [0,0,0,1,0,0|3,0,0]=4
17  B8R1.1  O=C1CC[C@H](CBr)O1 21988 [0,0,0,1,0,0|3,0,0]=4
18  B8R1.1  O=S1OCC(CF)O1 9970 [0,0,0,1,0,0|3,0,0]=4
19  B8R1.1  [NH3+]C[C@H]1CCC(=O)O1 21998 [0,0,0,1,0,0|3,0,0]=4
20  B8R1.4  CC1=CC(=O)CCC1 19984 [0,0,0,1,0,0|1,0,2]=4
21  B7R0.3  C=CC(C)CCCC 102712 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.1  CCCCC\C=C\I 102635 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.1  C\C=C/CCCCC 102713 [1,1,0,0,0,0|1,0,0]=3
24  B7R0.1  C\C=C/CCCCO 102708 [1,1,0,0,0,0|1,0,0]=3
25  B9R0.5  CCCCCC(C)CC=O 21557 [0,2,0,0,0,0|1,0,1]=4
26  B9R0.46  CCCCCCC(=O)NN 841 [0,2,0,0,0,0|2,0,0]=4
27  B9R0.47  CCCCCC(O)C(=O)O 12808 [0,2,0,0,0,0|2,0,0]=4
28  B9R0.2  CCC#CCCOC(C)=O 102447 [0,2,0,0,0,0|0,0,0]=2
29  B9R0.2  CCCCCC\C=C(\C)I 102863 [0,2,0,0,0,0|2,0,0]=4
30  B9R0.2  O=C(O)CCCCCCBr 102846 [0,2,0,0,0,0|2,0,0]=4
31  B9R0.48  CCCC(O)CCC(=O)[O-] 12807 [0,2,0,0,0,0|2,0,0]=4
32  B9R0.48  CCCC(O)CCC(=O)[O-] 12810 [0,2,0,0,0,0|2,0,0]=4
33  B9R0.55  C=C(F)CCCOC(C)=O 102339 [0,2,0,0,0,0|0,0,1]=3
34  B7R1.3  FC1CCCCC1 102292 [1,0,0,1,0,0|1,0,1]=4
35  B7R1.3  O=C1C=CCCC1 19980 [1,0,0,1,0,0|0,0,2]=4
36  B7R1.4  CC1CC=CC1=O 16115 [1,0,0,1,0,0|1,0,1]=4
37  B9R1.7  [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,1,0,1,0,0|1,0,0]=3
38  B9R1.1  COC1CCC(=O)CC1 11320 [0,1,0,1,0,0|2,0,0]=4