0 B11R1.266 CCC1=NC=CC(B(O)O)=C1 BA600-1 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.266 COC1=CC(C(N)=O)=NC=C1 HB041-1 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.266 COC1=CC=CC(C(=O)O)=N1 HB070-1 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.266 COC1=CC=CC(C(N)=O)=N1 HB080-1 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.266 COC1=CN=CC(C(C)=O)=C1 HB135-1 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.266 CSC1=CC(B(O)O)=CN=C1 BA359-1 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.113 CC1=NC=CC(B(O)O)=C1 BA616-1 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 HB040-1 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.113 O=C(O)C1=NC(I)=CC=C1 HB069-1 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.172 COC1=CC(CO)=NC=C1 HB042-1 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.172 COC1=CC=CC(CO)=N1 HB082-1 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.172 COC1=CN=CC(C#N)=C1 HB130-1 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.172 COC1=CN=CC(C=O)=C1 HB124-1 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.11 COC1=NC(C)=CC(B(O)O)=C1 BA2117-1 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.56 COC1=C(O)N=CC(C(=O)O)=C1 HB451-1 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.56 COC1=CC(B(O)O)=CN=C1Cl BA1820-1 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.279 CCOC1=NC(B(O)O)=CC=C1 BA219-1 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.435 COC(=O)C1=CC(OC)=CN=C1 HB129-1 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 HB078-1 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 HB046-1 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.435 COC1=CC(C(=O)NN)=NC=C1 HB043-1 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.435 COC1=CC=CC(C(=O)NN)=N1 HB081-1 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.440 COC1=NC=CC(B(O)O)=C1F BA2018-1 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.453 COC1=CN=C(Cl)C(B(O)O)=C1 BA1703-1 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.453 COC1=NC=C(F)C(B(O)O)=C1 BA661-1 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.2 COC1=CC(N)=NC=C1 HB048-1 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 COC1=CC=CC(N)=N1 HB083-1 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 COC1=CN=CC(Cl)=C1 HB131-1 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.2 COC1=CN=CC(I)=C1 HB113-1 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 COC1=CN=CC(O)=C1 HB125-1 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.2 COC1=NC(I)=CC=C1 HB068-1 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 COC1=NC=CC(N)=C1 HB049-1 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.2 O=CC1=CC(Cl)=CN=C1 HB111-1 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.2 O=CC1=CC(I)=CN=C1 HB110-1 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.21 O=C(O)C1=C[C@@H](O)[C@H](O)C=C1 RC520-1 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.23 COC(=O)C1=CC(I)=NC=C1 HB039-1 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.23 COC(=O)C1=NC(I)=CC=C1 HB072-1 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl HB476-1 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O HB535-1 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 HB478-1 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.167 CC1=CN=C(N)C(C(=O)O)=C1 HB477-1 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.167 NC1=NC=C(F)C=C1C(=O)O HB293-1 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl HB333-1 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl HB369-1 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.189 COC1=CN=CC(\C=N\O)=C1 HB141-1 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 HB548-1 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.3091 COC1=C(OC)N=CC(C(=O)O)=C1 HB446-1 [0,2,0,0,0,0|1,0,0]=3 47 B13R1.3091 COC1=CC=C(C(C)=O)N=C1OC HB602-1 [0,2,0,0,0,0|2,0,0]=4 48 B13R1.3091 COC1=CC=C([C@H](C)O)C=C1OC RC635-1 [0,2,0,0,0,0|1,0,1]=4 49 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 HC326-1 [0,1,0,1,0,0|1,0,1]=4 50 B11R1.3 COC1=CC=C(B(O)O)N=C1 BA137-1 [0,0,0,0,1,1|1,0,1]=4 51 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 RC634-1 [0,0,0,0,1,1|1,0,1]=4