0 B11R1.280 COC1=CC(OC)=C(I)N=C1 HB343-1 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 COC1=C(I)N=CC(O)=C1 HB342-1 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.30 COC1=CC(Br)=CN=C1Br HB406-1 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.30 COC1=CC(Br)=CN=C1Cl HB391-1 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.30 COC1=CC(Br)=CN=C1I HB380-1 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.30 COC1=CC(C)=CN=C1Cl HB482-1 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.30 COC1=CC(Cl)=CN=C1Cl HB337-1 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 COC1=CC(I)=CN=C1Br HB402-1 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.30 COC1=CC(I)=CN=C1I HB429-1 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.172 COC1=CC(CO)=NC=C1 HB042-1 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.172 COC1=CC=CC(CO)=N1 HB082-1 [1,0,0,0,0,0|1,0,0]=2 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|1,0,2]=4 13 B10R1.176 OCC1=CC=C(O)C(Br)=N1 HB526-1 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.56 COC1=C(O)N=CC(C(=O)O)=C1 HB451-1 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.56 COC1=CC(B(O)O)=CN=C1Cl BA1820-1 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.78 COC1=C(OC)N=C(C#N)C=C1 HB551-1 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 HB547-1 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.78 COC1=C(OC)N=C(CO)C=C1 HB549-1 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.78 COC1=C(OC)N=CC(C#N)=C1 HB416-1 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.78 COC1=C(OC)N=CC(C=O)=C1 HB409-1 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.78 COC1=C(OC)N=CC(CO)=C1 HB413-1 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.78 COC1=CC=C(OC)C(OC)=N1 HB536-1 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.2 COC1=CC(N)=NC=C1 HB048-1 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.2 COC1=CC=CC(N)=N1 HB083-1 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.2 COC1=CN=CC(Cl)=C1 HB131-1 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 COC1=CN=CC(I)=C1 HB113-1 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 COC1=CN=CC(O)=C1 HB125-1 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.2 COC1=NC(I)=CC=C1 HB068-1 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 COC1=NC=CC(N)=C1 HB049-1 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.2 NC1=NC=CC(CO)=C1 HB036-1 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.2 OCC1=CC(I)=CN=C1 HB115-1 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.2 OCC1=NC(I)=CC=C1 HB075-1 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.2 OCC1=NC=CC(Cl)=C1 HB045-1 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 COC1=C(I)C=NC=C1 HB089-1 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.69 CC1=CN=C(Cl)C(O)=C1 HB480-1 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.69 CC1=CN=C(O)C(I)=C1 HB470-1 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.37 COC1=C(OC)N=C(C)C=C1 HB553-1 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 HB544-1 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.37 COC1=C(OC)N=C(O)C=C1 HB546-1 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.37 COC1=C(OC)N=CC(I)=C1 HB422-1 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.37 COC1=CC(Br)=CN=C1CO HB407-1 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.37 COC1=CC(Br)=CN=C1OC HB396-1 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.37 COC1=CC(Cl)=CN=C1OC HB327-1 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.37 COC1=CC(O)=CN=C1OC HB465-1 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.37 COC1=CC=C(I)N=C1OC HB538-1 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.277 COC1=CC(O)=C(I)N=C1I HB221-1 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.189 COC1=CN=CC(\C=N\O)=C1 HB141-1 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.266 COC1=CC=CC(C(=O)O)=N1 HB070-1 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.14 OCC1=CC(I)=C(O)C(Br)=N1 HB179-1 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.279 COC1=CC=C(CO)N=C1Br HB527-1 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.3091 COC1=C(OC)N=C(C(=O)O)C=C1 HB548-1 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.3091 COC1=C(OC)N=CC(C(=O)O)=C1 HB446-1 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.3091 COC1=CC=C([C@H](C)O)C=C1OC RC635-1 [0,2,0,0,0,0|0,0,0]=2 54 B13R1.386 C=CCC1=NC(OC)=C(OC)C=C1 HB543-1 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.386 COC1=C(OC)N=C(\C=N\O)C=C1 HB552-1 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.386 COC1=C(OC)N=CC(\C=N\O)=C1 HB415-1 [0,2,0,0,0,0|1,0,1]=4 57 B13R2.57 OCC1=CN=C2OCCCC2=C1 HC511-1 [0,1,0,1,0,0|2,0,0]=4 58 B13R2.57 OCC1=CN=C2OCCOC2=C1 HC541-1 [0,1,0,1,0,0|1,0,0]=3