0  B13R0.54  C(CCCCCO)CCCCC(=O)O PI-20902 [0,0,0,0,0,0|3,0,0]=3
1  B13R0.54  C(CCCCCS)CCCCC(=O)O PI-46874 [0,0,0,0,0,0|3,0,0]=3
2  B13R0.54  NCCCCCCCCCCC(O)=O PI-42137 [0,0,0,0,0,0|3,0,0]=3
3  B13R0.54  O=C(O)CCCCCCCCCCBr PI-42134 [0,0,0,0,0,0|3,0,0]=3
4  B12R0.5  CCCCCCCCCCCC=C PI-47231 [1,0,0,0,0,0|1,0,1]=3
5  B12R0.5  CCCCCCCCCCCCCl PI-44619 [1,0,0,0,0,0|2,0,1]=4
6  B12R0.234  C#CCCCCCCCCC(=O)O PI-47215 [1,0,0,0,0,0|1,0,2]=4
7  B12R0.234  CCCCCCCCCCC(=O)Cl PI-43373 [1,0,0,0,0,0|1,0,0]=2
8  B14R0.337  CCCCCCCCCCCC(=O)NC PI-47221 [0,1,0,0,0,0|1,0,0]=2
9  B14R0.337  CCCCCCCCCCCC(=O)NN PI-50264 [0,1,0,0,0,0|2,0,0]=3
10  B14R0.337  O=C(OC)CCCCCCCCCCBr PI-37331 [0,1,0,0,0,0|2,0,0]=3
11  B14R0.394  C(CCCCCC(=O)O)CCCCCO PI-35661 [0,1,0,0,0,0|2,0,0]=3
12  B14R0.394  CCCCCCCCCCCCC(=O)N PI-44035 [0,1,0,0,0,0|2,0,0]=3
13  B14R0.394  CCCCCCCCCCCCC(=O)O PI-40495 [0,1,0,0,0,0|2,0,0]=3
14  B14R1.122  CCCCCCCCC1C=CC(=O)O1 PI-45420 [0,0,0,1,0,0|2,0,1]=4
15  B11R0.3  C=CCCCCCCCCC=O PI-47214 [2,0,0,0,0,0|0,0,2]=4
16  B11R0.3  C=CCCCCCCCCCBr PI-47212 [2,0,0,0,0,0|1,0,1]=4
17  B11R0.3  C=CCCCCCCCCCCl PI-47213 [2,0,0,0,0,0|1,0,1]=4
18  B11R0.3  C=CCCCCCCCCCN PI-47211 [2,0,0,0,0,0|1,0,1]=4
19  B11R0.3  C=CCCCCCCCCCO PI-40501 [2,0,0,0,0,0|1,0,1]=4
20  B11R0.3  CCCCCCCCCCCO PI-40504 [2,0,0,0,0,0|0,0,2]=4
21  B11R0.148  BrCCCCCCCCC(=O)O PI-29582 [2,0,0,0,0,0|2,0,0]=4
22  B13R0.147  CCCCCCCCCCC(=O)OC PI-43372 [1,1,0,0,0,0|2,0,0]=4
23  B13R0.336  CCCCCCCCCCCCC=O PI-47202 [1,1,0,0,0,0|1,0,0]=3
24  B13R0.336  CCCCCCCCCCCCCBr PI-47222 [1,1,0,0,0,0|1,0,1]=4
25  B13R0.336  CCCCCCCCCCCCCN PI-11228 [1,1,0,0,0,0|1,0,1]=4
26  B13R0.336  CCCCCCCCCCCCCO PI-40505 [1,1,0,0,0,0|1,0,1]=4
27  B15R0.81  CCCCCCCCCCCCC(=O)OC PI-47197 [0,2,0,0,0,0|1,0,0]=3
28  B15R0.366  CCOC(=O)CCCCCCCCCCBr PI-46873 [0,2,0,0,0,0|2,0,0]=4
29  B15R0.3221  CCCCCCCCCC(=O)CC(=O)OC PI-41859 [0,2,0,0,0,0|1,0,1]=4
30  B15R0.164  CCCCCCCCCCCCCC(=O)N PI-30820 [0,2,0,0,0,0|2,0,0]=4
31  B13R1.337  OC(=O)CCCCC1CCCCC1 PI-30754 [1,0,0,1,0,0|1,0,0]=3