0  B6R0.6  CCCNCCO      AK-60790 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.6  OCCCCNC      AK112657 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.2  N#CCCNC      AK116969 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.2  N#CCCOC      AK-46138 [1,0,0,0,0,0|2,1,0]=4
4  B5R0.2  NOCCCC      AK-85835 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.2  OCCCNC      AK112615 [1,0,0,0,0,0|2,1,0]=4
6  B7R0.3  N[C@@H](CCSC)CO      AK-81277 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.7  C(OC)C(O)COC      AK-46679 [0,1,0,0,0,0|1,2,0]=4
8  B7R0.7  NC(COC)COC      AK-79017 [0,1,0,0,0,0|1,2,0]=4
9  B7R0.7  O=C(COC)COC      AK116819 [0,1,0,0,0,0|1,2,0]=4
10  B7R1.1  CC[C@H]1NCCC1      AK131266 [0,0,0,1,0,0|3,0,0]=4
11  B7R1.1  CNC1COCC1      AK-48592 [0,0,0,1,0,0|2,1,0]=4
12  B7R1.1  COC1CNCC1      AK-33180 [0,0,0,1,0,0|2,1,0]=4
13  B7R1.1  CO[C@@H]1CNCC1      AK-36107 [0,0,0,1,0,0|2,1,0]=4
14  B7R1.1  CO[C@H]1CNCC1      AK-35279 [0,0,0,1,0,0|2,1,0]=4
15  B7R1.1  CSC1=NCCS1      AK-33966 [0,0,0,1,0,0|2,0,1]=4
16  B7R1.3  C[C@@H]1CNCCC1      AK141528 [0,0,0,1,0,0|3,0,0]=4
17  B7R1.3  C[C@H]1CNCCC1      AK-93998 [0,0,0,1,0,0|3,0,0]=4
18  B7R1.3  O=C1CSCCC1      AK112945 [0,0,0,1,0,0|3,0,0]=4
19  B7R1.4  CC1CSCC1=O      AK104742 [0,0,0,1,0,0|3,0,0]=4
20  B7R1.6  COCC1CNC1      AK-40838 [0,0,0,1,0,0|2,1,0]=4
21  B7R1.24  C1CNCCNC1      AK-29321 [0,0,0,1,0,0|3,0,0]=4
22  B7R1.24  O1CCNCCC1      AK-81388 [0,0,0,1,0,0|2,1,0]=4
23  B4R0.2  BrCCNC      AK153488 [2,0,0,0,0,0|2,0,0]=4
24  B4R0.2  ClCCNC      AK123132 [2,0,0,0,0,0|2,0,0]=4
25  B4R0.2  NNCCC      AK-76893 [2,0,0,0,0,0|2,0,0]=4
26  B6R0.4  CN(CCNC)C      AK-64867 [1,1,0,0,0,0|2,0,0]=4
27  B6R1.1  C1CSCCN1      AK110355 [1,0,0,1,0,0|1,0,0]=3
28  B6R1.1  N1CCOCC1      AK116221 [1,0,0,1,0,0|1,1,0]=4
29  B6R1.1  O1CNCCC1      AK-82623 [1,0,0,1,0,0|1,1,0]=4
30  B6R1.1  [NH2+]1CCCCC1      AK-41004 [1,0,0,1,0,0|2,0,0]=4
31  B6R1.1  [NH2+]1CCCCC1      AK-97257 [1,0,0,1,0,0|2,0,0]=4
32  B6R1.2  CC1CNCC1      AK-46149 [1,0,0,1,0,0|2,0,0]=4
33  B6R1.2  C[C@@H]1CCCN1      AK-28779 [1,0,0,1,0,0|2,0,0]=4
34  B6R1.2  C[C@@H]1CNCC1      AK-45142 [1,0,0,1,0,0|2,0,0]=4
35  B6R1.2  N1[C@@H](C)CCC1      AK-30035 [1,0,0,1,0,0|2,0,0]=4
36  B6R1.2  O=C1CSCC1      AK-40135 [1,0,0,1,0,0|2,0,0]=4
37  B6R1.6  CNC1CCC1      AK157567 [1,0,0,1,0,0|2,0,0]=4
38  B6R1.6  CNC1CNC1      AK158168 [1,0,0,1,0,0|2,0,0]=4
39  B6R1.6  COC1CNC1      AK-30498 [1,0,0,1,0,0|1,1,0]=4