0  B10R1.66  O=C(O)CCC1=CNC=N1 W10218 [0,0,0,0,0,0|4,0,0]=4
1  B10R1.66  O=C(O)\C=C/C1=CC=CS1 D86404 [0,0,0,0,0,0|2,1,1]=4
2  B10R1.66  O=C(O)\C=C\C1=CC=CN1 D87751 [0,0,0,0,0,0|3,0,1]=4
3  B10R1.66  O=[N+]([O-])\C=C\C1=CC=CO1 W10751 [0,0,0,0,0,0|3,0,1]=4
4  B11R1.25  COC(=O)CCC1=CNC=N1 28773 [0,1,0,0,0,0|3,0,0]=4
5  B11R1.35  N[C@@H](CC1=CC=CO1)C(=O)O F12115 [0,1,0,0,0,0|2,0,0]=3
6  B11R1.75  O=C(O)CCC1=CC(Br)=NO1 AT24334 [0,1,0,0,0,0|3,0,0]=4
7  B11R2.36  CC1=CC2=C(C=C1)OC=C2 AC2085 [0,0,0,1,0,0|2,0,1]=4
8  B9R1.13  CC(=O)NC1=CC=CS1 Y10605 [0,0,0,0,1,0|1,1,0]=3
9  B9R1.13  C[C@H](N)CC1=CC=CS1 AT16733 [0,0,0,0,1,0|1,1,1]=4
10  B9R1.13  O=C(O)CN1C=CC=C1 AT16135 [0,0,0,0,1,0|3,0,0]=4
11  B11R1.91  C=C(C)OCC1=CC=CC=C1 T70780 [0,0,0,0,0,1|2,1,0]=4
12  B11R1.91  CC(C)=NCC1=CC=CC=C1 92550 [0,0,0,0,0,1|3,0,0]=4
13  B8R1.8  CCCC1=CC=CO1 D92136 [2,0,0,0,0,0|0,0,1]=3
14  B10R1.11  C=CC[C@H](O)C1=CC=CO1 AT23581 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.54  CC1=CC=C(CC(=O)O)S1 94302 [0,1,0,0,1,0|1,1,0]=4
16  B10R1.64  CN1C=CC=C1CC(=O)O AT16218 [0,1,0,0,1,0|2,0,0]=4
17  B12R1.27  COC(=O)CCC1=CC=NC=C1 AC7192 [0,1,0,0,0,1|2,0,0]=4
18  B12R1.27  NCC(=O)OCC1=CC=CC=C1 H11970 [0,1,0,0,0,1|1,1,0]=4
19  B12R1.125  CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,1,0,0,0,1|2,0,0]=4
20  B12R1.226  CC(=O)NCC1=CC=CC(Br)=C1 C78150 [0,1,0,0,0,1|2,0,0]=4
21  B12R1.226  CC(=O)OCC1=NC(C)=CC=C1 C14592 [0,1,0,0,0,1|1,1,0]=4
22  B8R1.7  C=C(C)C1=CC=CO1 AC1466 [0,0,0,0,2,0|1,0,0]=3
23  B8R1.7  C=C(C)C1=CC=CS1 AC1467 [0,0,0,0,2,0|1,1,0]=4
24  B8R1.7  CC(=O)C1=CCC=C1 77833 [0,0,0,0,2,0|1,0,1]=4
25  B8R1.7  C[C@H](O)C1=CC=CO1 F17602 [0,0,0,0,2,0|0,0,2]=4
26  B8R1.7  O=C([O-])C1=CC=CS1 D80257 [0,0,0,0,2,0|1,1,0]=4
27  B12R1.252  CC(=O)CSCC1=CC=CC=C1 D85829 [0,0,0,0,0,2|1,0,0]=3
28  B12R1.252  O=C(O)CSCC1=CC=CC=C1 52680 [0,0,0,0,0,2|2,0,0]=4