0  B12R1.27  NNC(=O)CNC1=CC=CC=C1 B003339 [0,0,0,0,0,0|3,0,1]=4
1  B11R1.91  O=C(O)CCC1=NC=CC=C1 B039507 [1,0,0,0,0,0|1,0,2]=4
2  B11R1.91  O=C(O)CNC1=CC=CC=C1 B003332 [1,0,0,0,0,0|1,0,1]=3
3  B11R1.91  O=C(O)CSC1=NC=CC=C1 B003349 [1,0,0,0,0,0|2,0,1]=4
4  B13R1.14  COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,1,0,0,0,0|0,0,2]=3
5  B13R2.10  O=C1C=C(C2=CC=CC=C2)NN1 B028741 [0,0,0,1,0,0|2,0,0]=3
6  B13R2.10  OC1=CC(C2=CC=CC=C2)=NN1 B017756 [0,0,0,1,0,0|2,0,1]=4
7  B13R2.57  C(=O)C1=NC2=CC=CC=C2C=C1 B046312 [0,0,0,1,0,0|3,0,0]=4
8  B13R2.57  N#CC1=CC=C2C=CC=CC2=N1 B049270 [0,0,0,1,0,0|3,0,0]=4
9  B13R2.57  NCC1=NC2=CC=CC=C2C=C1 B029665 [0,0,0,1,0,0|3,0,0]=4
10  B12R1.21  CC1=CC=C(NCC(=O)O)C=C1 B003322 [1,1,0,0,0,0|1,0,1]=4
11  B12R1.21  NC1=CC=C(CCC(=O)O)C=C1 B039360 [1,1,0,0,0,0|0,0,2]=4
12  B12R1.21  O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [1,1,0,0,0,0|0,0,2]=4
13  B12R1.43  CC(=O)C(N)CC1=CC=CC=C1 B050535 [1,1,0,0,0,0|0,0,2]=4
14  B12R1.125  CC1=CC=CC=C1NCC(=O)O B003329 [1,1,0,0,0,0|1,0,1]=4
15  B12R1.226  CC1=CC(NCC(=O)O)=CC=C1 B003340 [1,1,0,0,0,0|1,0,1]=4
16  B12R1.226  O=C(O)CCC1=CC(F)=CC=C1 B049111 [1,1,0,0,0,0|0,0,2]=4
17  B12R1.51  CCOC(=O)\C=C\C1=CC=CO1 B048511 [0,1,0,0,1,0|1,0,0]=3
18  B12R1.34  COC(=O)C(N)C1=CC=CC=C1 B030337 [0,1,0,0,1,0|0,0,1]=3
19  B14R1.502  CCOC(=O)COC1=CC=C(I)C=C1 B047307 [0,2,0,0,0,0|1,0,1]=4
20  B14R1.32  CCOC(=O)COC1=CC(Cl)=CC=C1 B047305 [0,2,0,0,0,0|1,0,1]=4
21  B14R1.135  COC(=O)C(C)OC1=CC(Cl)=CC=C1 B006642 [0,2,0,0,0,0|1,0,1]=4
22  B12R1.354  COC(=O)C1=CC(N)=CC=C1Cl B049214 [0,0,1,1,0,0|2,0,0]=4
23  B12R1.435  COC(=O)C1=CC=CC(CBr)=C1 B020237 [0,0,1,1,0,0|1,0,1]=4
24  B12R2.2  C1=CC=C(C2=NNC=C2)C=C1 B028621 [1,0,0,1,0,0|2,0,0]=4
25  B12R2.44  COC1=CC2=C(C=C1)NC=C2 B038514 [0,0,0,1,1,0|2,0,0]=4
26  B14R2.95  COC(=O)C1=C2N=CC=CN2N=C1 B048898 [0,0,0,1,0,1|2,0,0]=4
27  B14R2.95  NNC(=O)C1=CNC2=C1C=CC=C2 B000103 [0,0,0,1,0,1|2,0,0]=4
28  B14R2.260  CN1NC(C2=CC=CC=C2)=CC1=O B028783 [0,1,0,1,0,0|1,0,0]=3
29  B14R2.1019  COC1=CC2=C(N=CC=C2)C(N)=C1 B050288 [0,1,0,1,0,0|2,0,0]=4
30  B14R2.20  CC1=CC=C(C2=NOC(N)=C2)C=C1 B036463 [0,1,0,1,0,0|2,0,0]=4
31  B14R2.20  CC1=CC=C(C2=NOC(N)=C2)C=C1 B046274 [0,1,0,1,0,0|2,0,0]=4
32  B14R2.972  COC(=N)C1=NC2=CC=CC=C2O1 B039579 [0,1,0,1,0,0|2,0,0]=4
33  B14R2.972  COC(=O)C1=CN2C=CC=NC2=N1 B039658 [0,1,0,1,0,0|2,0,0]=4
34  B14R2.972  COC(=O)C1=NN2C=CC=NC2=C1 B020796 [0,1,0,1,0,0|2,0,0]=4
35  B14R2.256  NC1=CC(C2=CC=CC=C2F)=NO1 B036462 [0,1,0,1,0,0|2,0,0]=4
36  B10R1.15  C#CC(=O)C1=CC=CC=C1 B048976 [0,0,0,0,2,0|1,0,1]=4