0  B11R1.40  CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,0,0,0,0|1,0,2]=4
1  B11R1.40  COC(=S)NC1=CC=CC=C1 10045 [1,0,0,0,0,0|1,1,1]=4
2  B11R1.40  FCC(F)CC1=CC=CC=C1 102361 [1,0,0,0,0,0|3,0,0]=4
3  B13R1.86  COP(OC)C(=O)C1=CC=CC=C1 15168 [0,1,0,0,0,0|1,0,1]=3
4  B13R1.417  COC(=CCC1=CC=CC=C1)OC 100955 [0,0,0,0,0,1|0,0,1]=2
5  B10R1.17  CO\C=C\C1=CC=CC=C1 103085 [2,0,0,0,0,0|0,0,2]=4
6  B10R1.18  CC(=O)CC1=CC=CC=C1 12126 [2,0,0,0,0,0|0,0,2]=4
7  B10R1.18  O=C(O)CC1=CC=CC=C1 12288 [2,0,0,0,0,0|0,0,2]=4
8  B10R1.18  O=C(O)CC1=CC=CC=C1 15735 [2,0,0,0,0,0|0,0,2]=4
9  B12R1.43  CC(CC1=CC=CC=C1)C(=O)O 17187 [1,1,0,0,0,0|2,0,0]=4
10  B14R1.2883  COP(=O)(OC)C(=O)C1=CC=CC=C1 15181 [0,2,0,0,0,0|1,0,1]=4
11  B14R1.2883  COP(=O)(OC)[13C](=O)C1=CC=CC=C1 15183 [0,2,0,0,0,0|1,0,1]=4
12  B14R1.4513  CC(=O)C(CC1=CC=CC=C1)C(C)=O 16771 [0,2,0,0,0,0|2,0,0]=4
13  B12R2.18  CC1=C(C)C2=CC=CC=C2C1 16651 [1,0,0,1,0,0|1,0,1]=4
14  B12R2.18  CC1CC2=CC=CC=C2C1=O 16626 [1,0,0,1,0,0|2,0,0]=4
15  B12R2.18  N[C@H]1C2=CC=CC=C2C[C@H]1O 19197 [1,0,0,1,0,0|2,0,0]=4
16  B12R2.24  CN1CCC2=CC=CC=C2C1 101931 [1,0,0,1,0,0|2,0,0]=4
17  B12R2.24  O=C1CC2=CC=CC=C2CO1 16340 [1,0,0,1,0,0|0,0,2]=4
18  B12R2.2051  C=CC1(C)CC2=CC=CC=C21 16580 [1,0,0,1,0,0|1,0,1]=4
19  B12R2.1  COC1=CCC2=CC=CC=C21 16665 [0,0,0,1,1,0|1,0,1]=4
20  B14R3.48  C1=CC=C2C(=C1)CC23OCCO3 16436 [0,0,0,2,0,0|0,0,0]=2
21  B10R1.15  CC(C#N)C1=CC=CC=C1 14750 [1,0,0,0,1,0|2,0,0]=4
22  B10R1.15  C\C=C(\C)C1=CC=CC=C1 103072 [1,0,0,0,1,0|1,0,1]=4
23  B10R1.15  NCC(O)C1=CC=CC=C1 12321 [1,0,0,0,1,0|2,0,0]=4
24  B10R1.15  OCC(O)C1=CC=CC=C1 731 [1,0,0,0,1,0|2,0,0]=4
25  B12R1.27  CCC(O)\C=C\C1=CC=CC=C1 100526 [1,0,0,0,0,1|1,0,1]=4
26  B12R1.27  COC(=O)CCC1=CC=CC=C1 19761 [1,0,0,0,0,1|0,0,2]=4