0  B12R1.7  CCCCCCC1CCC(=O)O1 PI-19854 [0,0,0,0,0,0|0,0,0]=0
1  B11R0.2  CCCCCCC(CC(=O)O)O PI-29567 [0,0,1,0,0,0|3,0,0]=4
2  B11R0.148  BrCCCCCCCCC(=O)O PI-29582 [0,0,1,0,0,0|1,0,0]=2
3  B11R0.148  CCCCCCCC=CC(=O)O PI-40909 [0,0,1,0,0,0|0,0,2]=3
4  B11R0.148  CCCCCCCCNC(=S)N PI-14651 [0,0,1,0,0,0|2,1,0]=4
5  B11R0.148  CCCCCCC\C=C\C(O)=O PI-37211 [0,0,1,0,0,0|0,0,2]=3
6  B11R0.148  CCCCCC\C=C\CC(O)=O PI-37094 [0,0,1,0,0,0|0,0,2]=3
7  B10R0.4  B(CCCCCCCC)(O)O PI-25412 [1,0,1,0,0,0|1,0,1]=4
8  B10R0.4  BrCCCCCCCC(=O)O PI-14490 [1,0,1,0,0,0|1,0,0]=3
9  B10R0.4  C(CCCC(=O)O)CCCO PI-20834 [1,0,1,0,0,0|1,0,0]=3
10  B10R0.4  CCCCCCCCC(=O)[O-] PI-46868 [1,0,1,0,0,0|0,0,1]=3
11  B10R0.4  CCCCCCCCC(=O)[O-] PI-47228 [1,0,1,0,0,0|0,0,1]=3
12  B10R0.4  NCCCCCCCC(=O)O PI-24013 [1,0,1,0,0,0|1,0,0]=3
13  B10R0.71  BrCCCCCCCCC=C PI-39247 [1,0,1,0,0,0|2,0,0]=4
14  B10R0.71  C(CCCCO)CCCCO PI-44645 [1,0,1,0,0,0|1,0,1]=4
15  B10R0.71  CCCCCC=CCCC=O PI-20940 [1,0,1,0,0,0|0,0,2]=4
16  B10R0.71  CCCCCCCCCCF PI-23565 [1,0,1,0,0,0|1,0,1]=4
17  B10R0.71  CCCCCCCCCCN PI-40487 [1,0,1,0,0,0|1,0,1]=4
18  B10R0.71  CCCCCCCCN=C=O PI-11406 [1,0,1,0,0,0|1,0,1]=4
19  B10R0.71  OCCCCCCCCCBr PI-38637 [1,0,1,0,0,0|1,0,1]=4
20  B10R0.74  CCCCCCCC(=O)NN PI-50239 [1,0,1,0,0,0|2,0,0]=4
21  B10R0.74  CCCCCCOC(=O)CN PI-15958 [1,0,1,0,0,0|1,0,0]=3
22  B12R0.4  CCCCCCCC(C)OC(=O)C PI-26149 [0,1,1,0,0,0|0,0,0]=2
23  B12R0.184  CC(C)CCCCCCC(=O)OC PI-29648 [0,1,1,0,0,0|2,0,0]=4
24  B12R0.248  CCCCCCCCOC(=O)CN PI-15959 [0,1,1,0,0,0|1,0,0]=3
25  B12R0.248  OCCCCCCCCC(=O)OC PI-29501 [0,1,1,0,0,0|2,0,0]=4
26  B12R0.234  C#CCCCCCCCCC(=O)O PI-47215 [0,1,1,0,0,0|0,0,1]=3
27  B12R0.234  C(CCCC=CC(=O)O)CCCO PI-39050 [0,1,1,0,0,0|0,0,2]=4
28  B12R0.234  CCCCCCCCCCC(=O)Cl PI-43373 [0,1,1,0,0,0|1,0,0]=3
29  B14R1.122  CCCCCCCCC1C=CC(=O)O1 PI-45420 [0,2,0,0,0,0|0,0,2]=4
30  B12R1.1  CCCCCC1CCC(=O)CC1 PI-12354 [0,0,1,1,0,0|1,0,0]=3
31  B12R1.28  CCCCCC1CCCC(=O)O1 PI-25804 [0,0,1,1,0,0|0,0,0]=2
32  B12R1.252  C1CCC(CC1)CCCC(=O)O PI-27597 [0,0,1,1,0,0|0,0,0]=2
33  B12R1.252  C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,0,1,1,0,0|0,0,1]=3
34  B12R1.252  C1CNCCC1CCCC(=O)O PI-26940 [0,0,1,1,0,0|1,0,0]=3
35  B12R2.375  COC1C2CC(=O)OC2CO1 PI-44466 [1,0,0,1,0,0|2,0,0]=4
36  B12R2.375  COC1C2CC(=O)OC2CO1 PI-44467 [1,0,0,1,0,0|2,0,0]=4
37  B12R2.2918  C1CCC2(CC1)CC(=O)NC2 PI-16814 [1,0,0,1,0,0|2,0,0]=4
38  B10R0.75  CCCCCCC(N)C(=O)O PI-30827 [0,0,1,0,1,0|2,0,0]=4