0  B12R1.286  COC1=C(F)C=CC(CCN)=C1 AT23332 [0,0,0,0,0,0|2,0,1]=3
1  B11R1.189  C#CCC1=CC=CC(OC)=C1 D75650 [1,0,0,0,0,0|0,0,2]=3
2  B11R1.189  COC1=NC(CCN)=CC=C1 D77536 [1,0,0,0,0,0|2,0,1]=4
3  B11R1.280  COC1=C(S)C=CC(C#N)=C1 C91011 [1,0,0,0,0,0|1,1,1]=4
4  B11R1.280  N#CC1=C(O)C=CC(CO)=C1 D76207 [1,0,0,0,0,0|3,0,0]=4
5  B13R1.49  COC1=C(F)C=CC([C@@H](N)CO)=C1 E72743 [0,1,0,0,0,0|2,0,1]=4
6  B13R2.599  COC1=CN2N=CC=C2C=C1N AT13950 [0,0,0,1,0,0|3,0,0]=4
7  B10R1.172  CNC1=CC=CC(CO)=C1 AT21038 [2,0,0,0,0,0|2,0,0]=4
8  B10R1.172  COC1=NC=CC(CBr)=C1 C71690 [2,0,0,0,0,0|2,0,0]=4
9  B10R1.172  [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [2,0,0,0,0,0|1,0,1]=4
10  B10R1.176  OCC1=CC(Cl)=C(O)C=C1 D88156 [2,0,0,0,0,0|2,0,0]=4
11  B10R1.176  OCC1=CC(O)=C(O)C=N1 F53447 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.30  CSC1=C(O)C=CC(F)=C1 C11142 [2,0,0,0,0,0|1,1,0]=4
13  B12R1.382  C#CCCC1=CC=CC(OC)=C1 D75649 [1,1,0,0,0,0|0,0,2]=4
14  B12R1.438  COC1=CC(CC(=O)O)=CN=C1 AT23273 [1,1,0,0,0,0|2,0,0]=4
15  B12R1.288  C\C=C\C1=CC(O)=C(OC)C=C1 A11367 [1,1,0,0,0,0|0,0,2]=4
16  B12R1.78  COC1=C(C#N)C=CC(CBr)=C1 E10134 [1,1,0,0,0,0|2,0,0]=4
17  B12R1.78  COC1=CC(CO)=CN=C1OC H10093 [1,1,0,0,0,0|2,0,0]=4
18  B12R1.78  COC1=CN=C(C=O)C=C1OC D85760 [1,1,0,0,0,0|2,0,0]=4
19  B12R1.449  CCC1=C(Br)C=C(F)C(OC)=C1 57978 [1,1,0,0,0,0|1,0,1]=4
20  B12R1.449  COC1=C(F)C=C(F)C(CO)=C1 E70253 [1,1,0,0,0,0|2,0,0]=4
21  B12R1.654  COC1=C(Cl)C(C=O)=CC=C1O C11952 [1,1,0,0,0,0|1,0,0]=3
22  B14R1.1864  COC1=C(OC)C=C([C@@H](N)CO)C=C1 D96462 [0,2,0,0,0,0|1,0,1]=4
23  B14R1.3237  C\C=C\C1=CC(OC)=C(OC)C(O)=C1 D75863 [0,2,0,0,0,0|0,0,2]=4
24  B14R1.42  COC1=C(Br)C=CC(CCC(=O)O)=C1 C90969 [0,2,0,0,0,0|1,0,1]=4
25  B12R2.44  COC1=CN2N=CC=C2C=C1 C90961 [1,0,0,1,0,0|2,0,0]=4
26  B12R2.1806  COC1=C2C(=O)CC2=CC=C1 70904 [1,0,0,1,0,0|1,0,0]=3
27  B12R2.100  OC1=C(Br)C=C2C=CNC2=C1 53493 [1,0,0,1,0,0|2,0,0]=4
28  B12R2.100  OC1=C(Br)C=C2NC=CC2=C1 P11882 [1,0,0,1,0,0|2,0,0]=4
29  B14R2.1128  COC1=CC2=CN=CC=C2C=C1Br 97592 [0,1,0,1,0,0|1,0,1]=4
30  B14R2.587  N#CCC1=CC(Cl)=C2OCOC2=C1 C93177 [0,1,0,1,0,0|1,0,1]=4
31  B14R2.587  N#CCC1=CC(F)=C2OCOC2=C1 C93183 [0,1,0,1,0,0|1,0,1]=4