0  B12R2.612  CC1CCc2c(coc2C1)C Molport-003-960-080 [0,0,0,0,0,0|0,0,0]=0
1  B12R2.612  C[C@@H]1CCc2c(coc2C1)C Molport-051-571-932 [0,0,0,0,0,0|0,0,0]=0
2  B12R2.612  C[C@H]1CCc2c(coc2C1)C Molport-003-937-270 [0,0,0,0,0,0|0,0,0]=0
3  B11R2.1  O=C1CCC2=C1CCCC2 Molport-051-545-909 [1,0,0,0,0,0|2,0,1]=4
4  B11R1.166  CC1CCC(=C(C)C)C(=O)C1 Molport-001-766-015 [0,0,1,0,0,0|0,0,2]=3
5  B11R1.166  CC1CCC(C(C1)O)C(=C)C Molport-002-510-257 [0,0,1,0,0,0|0,0,2]=3
6  B11R1.166  C[C@@H]1CCC(=C(C)C)C(=O)C1 Molport-001-793-332 [0,0,1,0,0,0|0,0,2]=3
7  B11R1.166  C[C@@H]1CC[C@H](C(=O)C1)C(=C)C Molport-006-125-896 [0,0,1,0,0,0|0,0,2]=3
8  B11R1.166  C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C Molport-003-895-936 [0,0,1,0,0,0|0,0,2]=3
9  B11R1.166  C[C@H]1CCC(=C(C)C)C(=O)C1 Molport-003-930-148 [0,0,1,0,0,0|0,0,2]=3
10  B11R1.166  C[C@H]1CC[C@@H]([C@H](C1)O)C(=C)C Molport-003-932-880 [0,0,1,0,0,0|0,0,2]=3
11  B11R1.465  CCCCC1=C(CCC1=O)C Molport-001-767-082 [0,0,1,0,0,0|2,0,1]=4
12  B13R2.3683  CC1CCc2cc(ncc2C1)N Molport-044-653-763 [0,0,0,0,0,1|3,0,0]=4
13  B10R2.7  C1CCc2occc2C1 Molport-029-128-994 [2,0,0,0,0,0|0,0,0]=2
14  B12R1.57  CC1CCC(=C(C)C)/C(=N/O)/C1 Molport-002-914-979 [0,1,1,0,0,0|2,0,0]=4
15  B14R2.2332  CCC1CCc2cc(ccc2C1)O Molport-004-796-451 [0,1,0,0,0,1|2,0,0]=4
16  B14R2.24368  Cc1coc2c1C(=O)CC(C2)(C)C Molport-006-734-674 [0,2,0,0,0,0|0,0,1]=3
17  B10R0.3  CC(CCO)CCC=C(C)C Molport-001-769-687 [0,0,2,0,0,0|0,0,2]=4
18  B10R0.3  C[C@@H](CCO)CCC=C(C)C Molport-002-535-711 [0,0,2,0,0,0|0,0,2]=4
19  B10R0.3  C[C@H](CCO)CCC=C(C)C Molport-003-845-967 [0,0,2,0,0,0|0,0,2]=4