0  B13R1.337  C=C(C)\C=C\CCC1=CC=CC=C1 100777 [0,0,0,0,0,0|2,0,1]=3
1  B13R1.337  CC(=O)\C=C/NCC1=CC=CC=C1 13496 [0,0,0,0,0,0|2,0,1]=3
2  B14R1.420  CC(CCCC(=O)O)C1=CC=CC=C1 20250 [0,1,0,0,0,0|2,0,0]=3
3  B14R1.420  O=C(O)CCCC(=O)C1=CC=CC=C1 17078 [0,1,0,0,0,0|2,0,1]=4
4  B14R1.423  CC(CCC(=O)O)CC1=CC=CC=C1 20211 [0,1,0,0,0,0|2,0,0]=3
5  B14R1.818  CC(C)=CC(C)OCC1=CC=CC=C1 19786 [0,1,0,0,0,0|3,0,0]=4
6  B12R1.252  CC(=O)NCCC1=CC=CC=C1 13725 [0,0,0,0,1,0|1,0,0]=2
7  B12R1.252  CC(C)=CCCC1=CC=CC=C1 12062 [0,0,0,0,1,0|1,0,1]=3
8  B12R1.252  O=C(O)CCCC1=CC=CC=C1 18169 [0,0,0,0,1,0|1,0,0]=2
9  B12R1.252  O=C(O)CSCC1=CC=CC=C1 10410 [0,0,0,0,1,0|2,0,0]=3
10  B14R1.422  CC(C)=C\C=C\CCC1=CC=CC=C1 100776 [0,0,0,0,0,1|2,0,1]=4
11  B11R1.28  C\C=C\CNC1=CC=CC=C1 100873 [2,0,0,0,0,0|1,0,1]=4
12  B13R1.45  C=C(COC(C)=O)C1=CC=CC=C1 16688 [0,1,0,0,1,0|0,0,1]=3
13  B13R1.45  CC(=O)O\C=C(/C)C1=CC=CC=C1 16788 [0,1,0,0,1,0|0,0,2]=4
14  B13R1.45  O=C(O)CCC(=O)C1=CC=CC=C1 17073 [0,1,0,0,1,0|1,0,1]=4
15  B13R1.348  CC(=O)C\C(C)=C\C1=CC=CC=C1 16783 [0,1,0,0,1,0|0,0,2]=4
16  B13R1.348  CC(=O)\C=C(/C)CC1=CC=CC=C1 16782 [0,1,0,0,1,0|0,0,2]=4
17  B13R1.348  [2H]C(C=C(C)C)CC1=CC=CC=C1 100554 [0,1,0,0,1,0|1,0,1]=4
18  B13R1.351  NC(CCC1=CC=CC=C1)C(=O)O 21734 [0,1,0,0,1,0|1,0,0]=3
19  B13R1.351  NC(CCC1=CC=CC=C1)C(=O)O 22030 [0,1,0,0,1,0|1,0,0]=3
20  B13R2.1028  CCCCC1CC2=CC=CC=C21 16576 [1,0,0,1,0,0|1,0,1]=4
21  B13R2.5881  CC(=O)NC1CC2=CC=CC=C21 16603 [0,0,0,1,1,0|1,0,0]=3
22  B13R2.5881  CC(=O)OC1CC2=CC=CC=C21 16169 [0,0,0,1,1,0|0,0,0]=2
23  B13R2.5881  CC(=O)\C=C1/CC2=CC=CC=C21 16656 [0,0,0,1,1,0|0,0,2]=4
24  B15R2.53147  CC(=O)OC1=CC(C)C2=CC=CC=C12 16633 [0,1,0,1,0,0|0,0,2]=4
25  B15R2.53147  CC(=O)OC1C=C(C)C2=CC=CC=C21 16668 [0,1,0,1,0,0|0,0,2]=4
26  B15R2.53147  CC(=O)OC1OC(=O)C2=CC=CC=C21 15992 [0,1,0,1,0,0|1,0,1]=4
27  B11R1.91  O=C(O)CCC1=CC=CC=C1 19283 [0,0,0,0,2,0|1,0,0]=3