0  B6R0.6  CCCCCCI M10197538P [0,0,0,0,0,0|4,0,0]=4
1  B6R0.6  CCCCC[Mg]Br M10018552P [0,0,0,0,0,0|4,0,0]=4
2  B6R0.6  CCCOCCCl M10247973P [0,0,0,0,0,0|3,1,0]=4
3  B6R0.6  COBCCCC M10104694P [0,0,0,0,0,0|3,1,0]=4
4  B6R0.6  COCCCCCl M10152312P [0,0,0,0,0,0|3,1,0]=4
5  B6R0.6  NCCSCCN M10022220P [0,0,0,0,0,0|4,0,0]=4
6  B6R0.6  OCCCCNC M10247660P [0,0,0,0,0,0|4,0,0]=4
7  B6R0.6  OCCSCCO M10003812P [0,0,0,0,0,0|4,0,0]=4
8  B6R0.6  [Li]CCCCCC M10170025P [0,0,0,0,0,0|4,0,0]=4
9  B5R0.2  C=CCOCC M10014106P [1,0,0,0,0,0|1,1,1]=4
10  B5R0.2  CCOCCCl M10016975P [1,0,0,0,0,0|2,1,0]=4
11  B5R0.2  CCSCCCl M10018543P [1,0,0,0,0,0|2,0,0]=3
12  B5R0.2  CCSCCO M10003744P [1,0,0,0,0,0|2,0,0]=3
13  B5R0.2  CC[Se][Se]CC M10016980P [1,0,0,0,0,0|2,1,0]=4
14  B5R0.2  COCCOC M10003738P [1,0,0,0,0,0|0,2,0]=3
15  B5R0.2  C\C=C\OCC M10023285P [1,0,0,0,0,0|1,1,1]=4
16  B5R0.2  Cl[Mg]CCCC M10018540P [1,0,0,0,0,0|3,0,0]=4
17  B7R0.1  CCCCCCCI M10061657P [0,1,0,0,0,0|3,0,0]=4
18  B7R0.1  CCCSSCCC M10017032P [0,1,0,0,0,0|2,0,0]=3
19  B7R0.4  CC(N)CCCCC M10004600P [0,1,0,0,0,0|3,0,0]=4
20  B7R0.7  OC(COC)COC M10016663P [0,1,0,0,0,0|1,2,0]=4
21  B7R1.1  COC1CCCC1 M10078199P [0,0,0,1,0,0|2,1,0]=4
22  B7R1.1  COC1CNCC1 M10742008P [0,0,0,1,0,0|2,1,0]=4
23  B7R1.1  CSC1=NCCS1 M10163702P [0,0,0,1,0,0|2,0,1]=4
24  B7R1.3  C[C@H]1CNCCC1 M10841057P [0,0,0,1,0,0|3,0,0]=4
25  B7R1.6  COCC1CNC1 M10085751P [0,0,0,1,0,0|2,1,0]=4
26  B7R1.7  CCCCC1OC1 M10030748P [0,0,0,1,0,0|2,1,0]=4
27  B7R1.24  N1CCNCCC1 M10012608P [0,0,0,1,0,0|3,0,0]=4
28  B7R1.24  O1CCNCCC1 M10806668P [0,0,0,1,0,0|2,1,0]=4
29  B4R0.2  CCCCN M10058158P [2,0,0,0,0,0|2,0,0]=4
30  B4R0.2  CCCC[O-] M10026120P [2,0,0,0,0,0|1,1,0]=4
31  B4R0.2  CCC[Mg]Cl M10041602P [2,0,0,0,0,0|2,0,0]=4
32  B4R0.2  CCOCCl M10052059P [2,0,0,0,0,0|1,1,0]=4
33  B4R0.2  CC[Zn]CC M10014098P [2,0,0,0,0,0|1,0,0]=3
34  B4R0.2  CSCCO M10070197P [2,0,0,0,0,0|0,1,0]=3
35  B4R0.2  CSCSC M10033691P [2,0,0,0,0,0|0,0,0]=2
36  B4R0.2  ClCCNC M10064229P [2,0,0,0,0,0|2,0,0]=4
37  B4R0.2  NCCOC M10003657P [2,0,0,0,0,0|1,1,0]=4
38  B6R0.1  CC(OC)COC M10110559P [1,1,0,0,0,0|0,2,0]=4
39  B6R0.4  CNCCN(C)C M10005417P [1,1,0,0,0,0|2,0,0]=4
40  B6R0.4  O=C(O)CCSC M10017612P [1,1,0,0,0,0|2,0,0]=4
41  B8R0.4  CCCSSSCCC M10082979P [0,2,0,0,0,0|2,0,0]=4
42  B8R0.7  CSCCCOC(C)=O M10144018P [0,2,0,0,0,0|1,1,0]=4
43  B6R1.1  C1CCCCS1 M10033603P [1,0,0,1,0,0|1,0,0]=3
44  B6R1.1  N1CCCCC1 M10083674P [1,0,0,1,0,0|2,0,0]=4
45  B6R1.1  N1CCNCC1 M10005439P [1,0,0,1,0,0|2,0,0]=4
46  B6R1.1  N1CCSCC1 M10082418P [1,0,0,1,0,0|1,0,0]=3
47  B6R1.1  O1CCSCC1 M10139809P [1,0,0,1,0,0|0,1,0]=3
48  B6R1.1  [NH2+]1CCCCC1 M10064261P [1,0,0,1,0,0|2,0,0]=4
49  B6R1.2  CC1SCCS1 M10078227P [1,0,0,1,0,0|2,0,0]=4
50  B6R1.2  C[C@H]1NCCC1 M10246674P [1,0,0,1,0,0|2,0,0]=4
51  B6R1.3  COC[C@H]1OC1 M10404629P [1,0,0,1,0,0|0,2,0]=4
52  B6R1.3  CSCC1OC1 M10251280P [1,0,0,1,0,0|0,1,0]=3