0  B9R0.45  CCCCCCCCCBr 3809 [0,0,0,0,0,0|1,0,3]=4
1  B9R0.45  CCCCCCCCCI 3958 [0,0,0,0,0,0|1,0,3]=4
2  B8R0.4  C#CCCCCCCC 13060 [1,0,0,0,0,0|1,0,2]=4
3  B8R0.4  CCCCCCCCI 3959 [1,0,0,0,0,0|1,0,2]=4
4  B8R0.4  CCCCC\C=C\CO 18916 [1,0,0,0,0,0|1,0,1]=3
5  B8R0.4  CCCOCCCCCl 1931 [1,0,0,0,0,0|2,0,1]=4
6  B10R0.1  CCOC(=O)CCCCCBr 3953 [0,1,0,0,0,0|2,0,1]=4
7  B10R0.4  NCCCCCCCC(=O)O 13165 [0,1,0,0,0,0|1,0,2]=4
8  B10R1.4  CCOC1=CCCCC1=O 17651 [0,0,0,1,0,0|1,0,1]=3
9  B10R1.29  CCCCN1CCCC1=O 9159 [0,0,0,1,0,0|1,0,2]=4
10  B7R0.1  C#CCCCCCC 13059 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.1  C=CCCCCC=C 36540 [2,0,0,0,0,0|1,0,0]=3
12  B7R0.1  C=CCCCCCBr 26398 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.1  C=CCCCCCCl 25249 [2,0,0,0,0,0|1,0,1]=4
14  B7R0.1  CCCCCCCBr 3775 [2,0,0,0,0,0|1,0,1]=4
15  B7R0.1  CCCCCCCI 3944 [2,0,0,0,0,0|1,0,1]=4
16  B7R0.1  CCCC\C=C\CO 18918 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.1  CCOCCCCCl 1933 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.1  O=CCCCCC=O 21301 [2,0,0,0,0,0|1,0,0]=3
19  B9R0.2  CCCCCCCC(=O)[O-] 12870 [1,1,0,0,0,0|0,0,1]=3
20  B9R0.5  CCCCCC(=O)OCC 15737 [1,1,0,0,0,0|1,0,1]=4
21  B9R0.5  CCOC(=O)CCCCBr 3955 [1,1,0,0,0,0|2,0,0]=4
22  B9R0.5  CCOC(=O)CCCCN 31885 [1,1,0,0,0,0|2,0,0]=4
23  B11R0.147  CCCCC(O)CCCC(=O)O 9714 [0,2,0,0,0,0|0,0,2]=4
24  B11R0.148  CCCCCCCCCC(=O)[O-] 29720 [0,2,0,0,0,0|0,0,2]=4
25  B9R1.5  CN1CCCCCC1=O 36383 [1,0,0,1,0,0|1,0,1]=4
26  B9R1.15  CCC1CCCOC1=O 26311 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.15  O=C1CCCCC1CO 20380 [1,0,0,1,0,0|1,0,1]=4
28  B9R1.33  CCCN1CCCC1=O 9160 [1,0,0,1,0,0|1,0,1]=4
29  B9R1.89  O=CC1CCCCCC1 16219 [1,0,0,1,0,0|0,0,1]=3
30  B11R1.199  CCOC(=O)C1CCCC1=O 14157 [0,1,0,1,0,0|1,0,0]=3
31  B11R1.199  CCOC(=O)C1COCC1=O 35513 [0,1,0,1,0,0|2,0,0]=4
32  B11R1.91  O=C(O)CCC1CCCCC1 20248 [0,1,0,1,0,0|0,0,2]=4
33  B11R1.91  O=C(O)CCC1CCNCC1 19136 [0,1,0,1,0,0|1,0,1]=4
34  B11R1.742  O=C(O)CC1CCCCCC1 16200 [0,1,0,1,0,0|0,0,2]=4
35  B11R1.17  CCCCC1CCCCC1=O 20238 [0,1,0,1,0,0|0,0,2]=4
36  B11R1.381  CCN1CCCC[C@H](N)C1=O 6395 [0,1,0,1,0,0|1,0,1]=4