0  B10R0.3  CCCC(C)CCOC(C)=O 6114AL [0,0,0,0,0,0|3,0,0]=3
1  B9R0.1  CCC(C)OCCC(C)=O 6681AL [1,0,0,0,0,0|2,0,1]=4
2  B9R0.2  CC(=O)NCCCCCN 8354AL [1,0,0,0,0,0|3,0,0]=4
3  B9R0.5  CCCCCC(C)CCC 6610AL [1,0,0,0,0,0|1,0,2]=4
4  B11R0.6  CC(C)=CCCC(C)CC(=O)O 7466AL [0,1,0,0,0,0|0,0,1]=2
5  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 3960AL [0,0,0,1,0,0|0,0,2]=3
6  B11R1.166  CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Cl 5128AD [0,0,0,1,0,0|1,0,2]=4
7  B11R1.166  CC(C)[C@H]1CC[C@@H](C)C[C@H]1N 8671AA [0,0,0,1,0,0|1,0,2]=4
8  B9R0.48  CCCC(C)CCC(C)=O 6799AL [0,0,0,0,1,0|2,0,0]=3
9  B8R0.7  C=C(C)CCCCCCl 6449AD [2,0,0,0,0,0|1,0,1]=4
10  B8R0.7  CC(C)CNCCCO 9143AD [2,0,0,0,0,0|1,0,1]=4
11  B8R0.7  CN(C)CCCCCN 3543AB [2,0,0,0,0,0|2,0,0]=4
12  B8R0.7  CN(C)CCNCCO 2146AE [2,0,0,0,0,0|2,0,0]=4
13  B8R0.7  NC(=O)CCCCCO 3555AJ [2,0,0,0,0,0|2,0,0]=4
14  B8R0.7  O=C([O-])CCCCCO 0762AP [2,0,0,0,0,0|2,0,0]=4
15  B8R0.28  CC(C)\C=C\CC(C)C 5417AL [2,0,0,0,0,0|0,0,2]=4
16  B8R0.4  C=CCCCCCCO 6892AL [2,0,0,0,0,0|0,0,2]=4
17  B8R0.4  CC\C=C/CCCCO 7454AL [2,0,0,0,0,0|0,0,2]=4
18  B8R0.4  CNCCCCCCO 4396AE [2,0,0,0,0,0|1,0,1]=4
19  B8R0.4  C\C=C\CCCCCC 9212AL [2,0,0,0,0,0|1,0,0]=3
20  B10R1.171  CC1(C)CC(CO)CCO1 8441AH [1,0,0,1,0,0|1,0,1]=4
21  B10R1.1  CCCC1CC=C(Br)CC1 Z6635 [0,0,0,1,1,0|2,0,0]=4
22  B10R1.1  CN1CCC(CCN)CC1 V4272 [0,0,0,1,1,0|2,0,0]=4
23  B10R1.1  O=C1CCC(CCO)CC1 3716AB [0,0,0,1,1,0|1,0,0]=3
24  B10R1.1  OCCC1CCC(O)CC1 6184AL [0,0,0,1,1,0|1,0,1]=4
25  B8R0.9  CCC(C)CCC(C)O 6794AL [1,0,0,0,1,0|1,0,1]=4
26  B8R0.5  C=C(C)CC(C)CCC 5311AL [0,0,0,0,2,0|1,0,1]=4
27  B8R0.5  CCCC(C)CC(C)C 5321AL [0,0,0,0,2,0|1,0,1]=4