0  B11R0.191  CCCCC(CC)C(OCC)=O M10049843P [0,0,0,0,0,0|0,0,0]=0
1  B10R0.16  CCC(COC=C)CCCC M10003070P [1,0,0,0,0,0|0,0,3]=4
2  B10R0.19  CCCCC(Br)C(OCC)=O M10016197P [1,0,0,0,0,0|1,0,0]=2
3  B10R0.19  CCCCC(C(OCC)=O)=O M10080038P [1,0,0,0,0,0|1,0,1]=3
4  B10R0.19  O=C(OCC)C(Br)CCCBr M10207591P [1,0,0,0,0,0|2,0,0]=3
5  B10R0.19  O=C(OCC)[C@@H](N)CCCN M10499010P [1,0,0,0,0,0|2,0,0]=3
6  B12R0.337  CCCCC(C(C)=O)C(OCC)=O M10032459P [0,1,0,0,0,0|0,0,1]=2
7  B12R1.16  O=C(C1CCC(O)CC1)OCC M10147626P [0,0,0,1,0,0|1,0,0]=2
8  B12R1.308  O=C(C1C(O)CCCC1)OCC M10054562P [0,0,0,1,0,0|1,0,0]=2
9  B12R1.308  O=C(C1CNCCC1=O)OCC M10065004P [0,0,0,1,0,0|2,0,1]=4
10  B9R0.5  O=C(OCC)COCCCl M10148096P [2,0,0,0,0,0|2,0,0]=4
11  B9R0.8  CCCCC(Br)C(OC)=O M10064420P [2,0,0,0,0,0|1,0,0]=3
12  B9R0.8  CCCCC(Br)C(OC)=O M10437847P [2,0,0,0,0,0|1,0,0]=3
13  B9R0.8  O=C(OC)[C@@H](N)CCCN M10242020P [2,0,0,0,0,0|2,0,0]=4
14  B9R0.35  CCCC(C(O)CCC)=O M10012297P [2,0,0,0,0,0|2,0,0]=4
15  B9R0.35  CCCC(C(OCC)=O)=O M10254180P [2,0,0,0,0,0|1,0,1]=4
16  B9R0.35  O=C(OCC)C(Cl)OCC M10222370P [2,0,0,0,0,0|2,0,0]=4
17  B9R0.37  CCC(C#N)C(OCC)=O M10033717P [2,0,0,0,0,0|1,0,1]=4
18  B9R0.13  CCCCC(CC)C(Cl)=O M10020004P [2,0,0,0,0,0|1,0,0]=3
19  B9R0.13  CCCCC(CC)C([O-])=O M10188990P [2,0,0,0,0,0|0,0,1]=3
20  B9R0.13  CCCCC(CC)C([O-])=O M12014329P [2,0,0,0,0,0|0,0,1]=3
21  B11R0.155  CCCCCC(C(OCC)=O)=O M10120553P [1,1,0,0,0,0|1,0,1]=4
22  B11R0.247  CCCCC(F)(F)C(OCC)=O M10454418P [1,1,0,0,0,0|1,0,0]=3
23  B13R0.753  O=C(OCC)C(C(C)C)C(OCC)=O M10019972P [0,2,0,0,0,0|1,0,1]=4
24  B13R0.1176  O=C(OCC)C(OCC)C(OCC)=O M10233646P [0,2,0,0,0,0|1,0,1]=4
25  B11R1.16  O=C(C1CCNCC1)OCC M10771698P [1,0,0,1,0,0|1,0,0]=3
26  B11R1.16  O=C(C1CNCCC1)OCC M10066727P [1,0,0,1,0,0|1,0,0]=3
27  B11R1.16  O=C(C1CNCCC1)OCC M10067963P [1,0,0,1,0,0|1,0,0]=3
28  B11R1.16  O=C(C1NCCCC1)OCC M10466005P [1,0,0,1,0,0|1,0,0]=3
29  B11R1.16  O=C(C1NCCNC1)OCC M10586758P [1,0,0,1,0,0|2,0,0]=4
30  B11R1.819  O=C(C1(O)CCCC1)OCC M10245335P [1,0,0,1,0,0|1,0,0]=3
31  B11R1.199  O=C([C@H]1[C@@H](O)CCC1)OCC M10340054P [1,0,0,1,0,0|1,0,0]=3
32  B11R1.22  O=C(C1CCC(O)CC1)OC M10149669P [1,0,0,1,0,0|1,0,0]=3
33  B11R1.22  O=C(C1CCN(C)CC1)OC M10034838P [1,0,0,1,0,0|1,0,0]=3
34  B11R1.22  O=C([C@H]1CC[C@H](O)CC1)OC M10084042P [1,0,0,1,0,0|1,0,0]=3
35  B11R1.852  O=C(C1CCCCCC1)OC M10314157P [1,0,0,1,0,0|0,0,0]=2
36  B13R1.463  O=C(C1C(CCCCC1)=O)OCC M10020506P [0,1,0,1,0,0|0,0,1]=3
37  B13R1.463  O=C(C1CCNCCC1=O)OCC M12277741P [0,1,0,1,0,0|1,0,1]=4
38  B13R1.132  O=C(N1CCC(O)CC1)OC(C)C M10988493P [0,1,0,1,0,0|2,0,0]=4
39  B13R1.12  O=C(C1C(C(Br)CCC1)=O)OCC M10208762P [0,1,0,1,0,0|1,0,1]=4