0  B13R0.336  OCCCCCCCCCCCCBr Z1259040916 [0,0,0,0,0,0|0,0,0]=0
1  B12R0.5  CCCCCCCCCC#CCO Z1198168660 [1,0,0,0,0,0|0,0,2]=3
2  B12R0.5  CCCCCCCCCCCC#N Z966176448 [1,0,0,0,0,0|1,0,1]=3
3  B12R0.5  CCCCCCCCCCCCN Z104474358 [1,0,0,0,0,0|1,0,0]=2
4  B12R0.5  CCCCCCCCCCCCO Z104476554 [1,0,0,0,0,0|0,0,0]=1
5  B12R0.5  CCCCCCCCNCCCN Z600494288 [1,0,0,0,0,0|2,0,0]=3
6  B12R0.5  CCCCCCCCOCCCN Z1262237229 [1,0,0,0,0,0|2,0,0]=3
7  B12R0.5  CCCCCCNCCCCCC Z104475172 [1,0,0,0,0,0|2,0,0]=3
8  B12R0.5  NCCCCCCCCCCCO Z1198263294 [1,0,0,0,0,0|1,0,0]=2
9  B14R0.392  CCCCCCCNCCCCCCC Z104488332 [0,1,0,0,0,0|2,0,0]=3
10  B14R1.123  OCCCOCCCN1CCCCC1 Z825753286 [0,0,0,1,0,0|3,0,0]=4
11  B14R1.216  CCCCCCCCC1CCCC1=O Z813018306 [0,0,0,1,0,0|1,0,2]=4
12  B14R1.476  CCC1CCCCN1CCOCCO Z756092024 [0,0,0,1,0,0|3,0,0]=4
13  B14R1.845  O=CC1CCCCCCCCCCC1 Z1268606432 [0,0,0,1,0,0|1,0,2]=4
14  B14R1.845  ON=C1CCCCCCCCCCC1 Z49568438 [0,0,0,1,0,0|2,0,1]=4
15  B14R1.904  CCSC1CCCCC1NCCCO Z1817495882 [0,0,0,1,0,0|3,0,0]=4
16  B14R1.2352  OCCCCCCN1CCCOCC1 Z1349256627 [0,0,0,1,0,0|3,0,0]=4
17  B11R0.3  CCCCCCCCCCC=O Z993017862 [2,0,0,0,0,0|0,0,2]=4
18  B11R0.3  CCCCCCCCCCNC Z102767086 [2,0,0,0,0,0|1,0,0]=3
19  B11R0.3  CCCCCCCCSCCO Z425753146 [2,0,0,0,0,0|1,0,0]=3
20  B11R0.3  CCCCCCCNCCCO Z139305228 [2,0,0,0,0,0|1,0,0]=3
21  B13R0.54  CCCCCCCCCCCC(=O)O Z104476194 [1,1,0,0,0,0|0,0,1]=3
22  B13R0.54  O=C(O)CCCCCCCCCCBr Z57953031 [1,1,0,0,0,0|0,0,1]=3
23  B13R0.165  CCCCCCC(=O)CCCCCC Z104475286 [1,1,0,0,0,0|1,0,1]=4
24  B15R0.133  CCCCCCCC(=O)CCCCCCC Z104475298 [0,2,0,0,0,0|2,0,0]=4
25  B15R0.149  CCCCCCCCC(O)CCCCCC Z1258812218 [0,2,0,0,0,0|2,0,0]=4
26  B15R0.81  CCCCCCCCCCCCC(C)CO Z1270136853 [0,2,0,0,0,0|1,0,0]=3
27  B15R0.81  COC(=O)CCCCCCCCCCCO Z2718913196 [0,2,0,0,0,0|1,0,1]=4
28  B15R0.84  CCCCCCCCCCCC(O)C(=O)O Z2049964923 [0,2,0,0,0,0|1,0,1]=4
29  B15R0.70  CCCCCCCCCCCCCCNC Z1136895446 [0,2,0,0,0,0|2,0,0]=4
30  B15R0.164  CCCCCCCCCCCCCC(=O)O Z1954802504 [0,2,0,0,0,0|1,0,0]=3
31  B15R0.164  CCCCCCCCCCNCCC(=O)O Z1407659785 [0,2,0,0,0,0|1,0,1]=4
32  B15R0.3228  CCCCCCCCCCC(CO)CCC Z1270137916 [0,2,0,0,0,0|2,0,0]=4
33  B13R1.28  CCCCCCCN1CCCCC1 Z3965396724 [1,0,0,1,0,0|2,0,0]=4
34  B13R1.28  COCCCSCC1CCCCO1 Z1764052030 [1,0,0,1,0,0|2,0,0]=4
35  B13R1.28  NCCCCCOC1CCCCC1 Z823284604 [1,0,0,1,0,0|2,0,0]=4
36  B13R1.119  NCCCCCCCN1CCCC1 Z335286646 [1,0,0,1,0,0|2,0,0]=4
37  B13R1.279  O=C1CCCCCCCCCCC1 Z104473098 [1,0,0,1,0,0|0,0,2]=4
38  B13R1.659  CCCCCCCCCCC1CO1 Z1255485282 [1,0,0,1,0,0|0,0,0]=2
39  B13R1.1887  NCCCCOC1CCCCCC1 Z756084280 [1,0,0,1,0,0|2,0,0]=4
40  B15R1.52  CC1CCSCCN1CCCCCCO Z2063321019 [0,1,0,1,0,0|2,0,0]=4
41  B15R1.243  CC1(CCCCN1CCCCCF)CO Z2063265833 [0,1,0,1,0,0|1,1,0]=4
42  B15R1.220  CC1CCCCC1NCCSCCCO Z1440250760 [0,1,0,1,0,0|2,0,0]=4
43  B15R1.239  CCC1CCCCCN1CCCCCO Z1248934642 [0,1,0,1,0,0|1,0,0]=3
44  B15R1.1252  CC(CCO)CNCC1CCCCC1C Z1653565644 [0,1,0,1,0,0|2,0,0]=4