0  B10R0.71  CCCCC/C=C/C=C/C=O T9506 [0,0,0,0,0,0|0,0,0]=0
1  B10R0.71  CCCCCCCCCC=O T8086 [0,0,0,0,0,0|0,0,4]=4
2  B9R0.45  C=CCCC/C=C\CC=C T31277 [1,0,0,0,0,0|0,0,3]=4
3  B9R0.45  C=CCCCCCCCC T21040 [1,0,0,0,0,0|0,0,3]=4
4  B11R0.3  CCCCCC/C=C/CCC=O T29255 [0,1,0,0,0,0|0,0,2]=3
5  B11R0.40  CCCCCCCCC(=C)C=O T31306 [0,1,0,0,0,0|0,0,3]=4
6  B11R0.40  CCCCCCCCC(=O)C=O T31307 [0,1,0,0,0,0|0,0,3]=4
7  B11R0.81  CCCCCCC(=O)/C=C/C=O T31275 [0,1,0,0,0,0|0,0,1]=2
8  B11R0.148  CCCCCCC/C=C/C(O)=O T7332 [0,1,0,0,0,0|0,0,2]=3
9  B11R0.148  CCCCCCC/C=C\C(O)=O TQ0251 [0,1,0,0,0,0|0,0,2]=3
10  B11R0.148  CCCCCCC\C=C\C(O)=O T29343 [0,1,0,0,0,0|0,0,2]=3
11  B11R1.28  OCCCCc1ccccc1 T20370 [0,0,0,1,0,0|2,0,0]=3
12  B11R1.28  OCCOCc1ccccc1 T14013 [0,0,0,1,0,0|3,0,0]=4
13  B10R0.91  CCCCCC(O)/C=C/C=O T10148 [1,1,0,0,0,0|0,0,1]=3
14  B12R0.5  C/C=C/C=C/CCCCCCCO T20516 [0,2,0,0,0,0|1,0,1]=4
15  B12R0.5  CCCCCCCCC/C=C/C=O TN6927 [0,2,0,0,0,0|0,0,2]=4
16  B12R0.234  CCCCCCCC/C=C/C(O)=O T19589 [0,2,0,0,0,0|0,0,2]=4
17  B12R0.234  OCCCCCCC/C=C/C(O)=O T3250 [0,2,0,0,0,0|0,0,2]=4
18  B12R0.248  CCC/C=C\C=C\C=C\C(=O)OC T19110 [0,2,0,0,0,0|0,0,2]=4
19  B10R1.17  CCOCc1ccccc1 T36790 [1,0,0,1,0,0|1,0,1]=4
20  B10R1.17  CNCCc1ccccn1 T0246 [1,0,0,1,0,0|2,0,0]=4
21  B10R1.17  CNCCc1ccccn1 T0246L [1,0,0,1,0,0|2,0,0]=4
22  B10R1.17  CNCCc1ccccn1 T4195 [1,0,0,1,0,0|2,0,0]=4
23  B10R1.17  OCCCc1ccccc1 T3754 [1,0,0,1,0,0|1,0,1]=4
24  B10R1.21  CCCCCc1ccco1 TCS0324 [1,0,0,1,0,0|0,0,1]=3
25  B12R1.8  CCCCCOc1ccccc1 T25936 [0,1,0,1,0,0|1,0,0]=3
26  B12R1.37  CCCCCCCc1ccco1 T26381 [0,1,0,1,0,0|0,0,2]=4
27  B12R1.267  CCCCCc1ccccc1O T33809 [0,1,0,1,0,0|0,0,1]=3
28  B12R1.69  CCCCc1ccc(C)cc1O T33233 [0,1,0,1,0,0|0,0,2]=4
29  B12R1.69  CCCCc1ccc(O)cc1O T7125 [0,1,0,1,0,0|0,0,2]=4
30  B12R1.1  CCCCOc1ccc(O)cc1 T1350 [0,1,0,1,0,0|2,0,0]=4
31  B12R1.7  CCCC#C/C=C1\OC(=O)C=C1 TN5803 [0,1,0,1,0,0|0,0,2]=4
32  B12R1.30  CCCCC(O)c1ccccc1 T0857 [0,1,0,1,0,0|1,0,0]=3
33  B12R1.567  CCCCCC1=C(C)CCC1=O T8077 [0,1,0,1,0,0|0,0,2]=4
34  B12R1.125  CC(N)CCc1ccccc1Cl T24797 [0,1,0,1,0,0|1,0,1]=4
35  B12R2.24  CC1CCc2ccccc2N1 T20448 [0,0,0,2,0,0|1,0,1]=4
36  B12R2.1081  O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,0,0,2,0,0|2,0,0]=4