0  B8R0.4  C=CCCCCCC=O N11873 [1,0,0,0,0,0|0,0,2]=3
1  B8R0.4  C=CCCCCCCI W11175 [1,0,0,0,0,0|2,0,1]=4
2  B10R0.4  C=CCCCCCC[C@H](C)O W11241 [0,1,0,0,0,0|1,0,2]=4
3  B10R0.4  O=C(O)CCCCCCCO S10749 [0,1,0,0,0,0|1,0,2]=4
4  B10R1.78  O=C1CCCCCCCC1 AC8766 [0,0,0,1,0,0|0,0,2]=3
5  B10R1.78  O=C1CCCCCCCN1 D74918 [0,0,0,1,0,0|1,0,2]=4
6  B10R1.161  O=CC1CCCCCCC1 59424 [0,0,0,1,0,0|0,0,2]=3
7  B7R0.1  C=CCCCCNC R10008 [2,0,0,0,0,0|2,0,0]=4
8  B7R0.1  COCOCCC=O 32199 [2,0,0,0,0,0|2,0,0]=4
9  B9R0.2  C=CCCCCCC(=O)O I11997 [1,1,0,0,0,0|0,0,2]=4
10  B9R0.2  CCCCCCCC(=O)[O-] F12023 [1,1,0,0,0,0|0,0,1]=3
11  B9R0.2  CCC\C=C/CCC(=O)O E70288 [1,1,0,0,0,0|0,0,2]=4
12  B9R0.5  CCOC(=O)CCCC=O N10598 [1,1,0,0,0,0|1,0,0]=3
13  B9R0.5  CCOC(=O)CCCCN 23836 [1,1,0,0,0,0|2,0,0]=4
14  B11R0.4  CCOC(=O)CCCCCC=O N10484 [0,2,0,0,0,0|0,0,1]=3
15  B11R0.176  CCOC(=O)CCCCC(N)=O 81596 [0,2,0,0,0,0|1,0,0]=3
16  B11R0.30  CC(C)\C=C\CCCCC(=O)Cl T73099 [0,2,0,0,0,0|0,0,0]=2
17  B11R0.30  CC(C)\C=C\CCCCC(=O)O C16043 [0,2,0,0,0,0|0,0,0]=2
18  B11R0.40  COC(=O)CCCCCCC=O D94271 [0,2,0,0,0,0|1,0,1]=4
19  B11R0.42  CCCCCCC[C@H](N)C(=O)O W18676 [0,2,0,0,0,0|0,0,2]=4
20  B11R0.111  COC(=O)CCCCCC(=O)O A11369 [0,2,0,0,0,0|1,0,1]=4
21  B11R0.148  NCCCCCCCCC(=O)O D94864 [0,2,0,0,0,0|0,0,2]=4
22  B9R1.5  C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.5  C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.5  C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|1,0,1]=4
25  B9R1.8  O=CCC1CCCCC1 11388 [1,0,0,1,0,0|0,0,1]=3
26  B9R1.15  CCN1CCNCC1=O W18927 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.15  CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|1,0,1]=4
28  B9R1.15  O=CC1=C(Br)CCCC1 AC9040 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.15  O=CC1=C(Cl)CCCC1 31222 [1,0,0,1,0,0|2,0,0]=4
30  B9R1.15  OCC1=C(Br)CCCC1 AC8357 [1,0,0,1,0,0|2,0,0]=4
31  B9R1.50  O[C@@H]1C=CCCCCC1 AT23384 [1,0,0,1,0,0|1,0,1]=4
32  B9R1.50  O[C@@H]1CCC=CCCC1 C76726 [1,0,0,1,0,0|0,0,1]=3
33  B11R1.199  CCOC(=O)[C@@H]1CCNC1=O 38525 [0,1,0,1,0,0|2,0,0]=4
34  B11R1.86  CC(C)CN1CCCCC1=O 91963 [0,1,0,1,0,0|1,0,1]=4
35  B11R2.12  O=C1CCC12CCCCC2 84858 [0,0,0,2,0,0|0,0,2]=4
36  B11R2.164  O=CC1CC2C=CC1CC2 T70858 [0,0,0,2,0,0|0,0,2]=4