0 B11R1.280 COC1=C(S)C=CC(C#N)=C1 C91011 [0,0,0,0,0,0|1,1,1]=3 1 B11R1.280 N#CC1=C(O)C=CC(CO)=C1 D76207 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.280 N#CC1=CC(C=O)=CN=C1Cl D77540 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.280 O=CC1=CC(C=O)=C(Br)C=C1 P16880 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.30 COC1=C(F)C=CC(F)=N1 AT14289 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 COC1=C(N)C=CC(I)=N1 AT11695 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.172 C#CC1=CC(OC)=CN=C1 AT22617 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.172 CNC1=CC=CC(CO)=C1 AT21038 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.172 COC1=CN=CC(C=O)=N1 P12239 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.172 COC1=NC=CC(CBr)=C1 C71690 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.176 OCC1=CC(Cl)=C(O)C=C1 D88156 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.176 OCC1=CC(O)=C(O)C=N1 F53447 [1,0,0,0,0,0|1,0,2]=4 25 B12R1.56 COC1=C(F)C=NC(C(=O)O)=C1 AT26887 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.56 COC1=C(F)C=NC(C(C)=O)=C1 AT26885 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.56 NCC1=C(F)C=CC(C(=O)O)=C1 AC6784 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.78 COC1=C(C#N)C=CC(CBr)=C1 E10134 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.78 COC1=C(C#N)N=C(C=O)C=C1 F51301 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.78 COC1=C(CN)C=CC(C#N)=C1 D86042 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.78 COC1=CC(CO)=CN=C1OC H10093 [0,1,0,0,0,0|1,0,2]=4 32 B12R1.78 COC1=CN=C(C=O)C=C1OC D85760 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.286 COC1=C(F)C=CC(CCN)=C1 AT23332 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.449 CCC1=C(Br)C=C(F)C(OC)=C1 57978 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.449 COC1=C(F)C=C(F)C(CO)=C1 E70253 [0,1,0,0,0,0|1,0,2]=4 36 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C11952 [0,1,0,0,0,0|0,0,0]=1 37 B12R2.44 O=CC1=NC2=C(C=C1)OC=C2 AT24848 [0,0,0,1,0,0|2,0,1]=4 38 B12R2.44 OCC1=CC2=C(C=C1)CCO2 Y10546 [0,0,0,1,0,0|1,0,2]=4 39 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.8 COC1=C(Cl)C(C)=CC(Br)=C1 AT17651 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.8 COC1=C(F)C(C)=CC(N)=C1 D96231 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.8 COC1=CC(Br)=CC(Cl)=C1Cl AT17654 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.8 COC1=CC(F)=CC(F)=C1Br AC9852 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.72 COC1=C(Br)C=CC(N)=C1N D75051 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.167 C[C@H](N)C1=C(O)C=CC(Cl)=C1 50793 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.277 COC1=C(Br)C=C(O)C(C)=C1 AC9292 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.277 COC1=C(I)C=C(Cl)C(F)=C1 AT17645 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.277 COC1=C(I)C=C(F)C(Cl)=C1 AT17644 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.277 COC1=CC(=O)N(C)C=C1Br C90979 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.9 COC1=CC(O)=CC(C#N)=C1 D86039 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.189 C#CCC1=CC=CC(OC)=C1 D75650 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.189 COC1=CN=CC(\C=N\O)=C1 D74375 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.266 CCC1=CC(C(=O)O)=CN=C1 D86036 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.14 CC1=CC(C=O)=CC(C)=C1C E10158 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.14 O=CC1=CC(F)=C(O)C(O)=C1 C93179 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [1,1,0,0,0,0|1,1,0]=4 57 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.278 CC1=C(C=O)C=CC(Br)=C1F 97128 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.278 CC1=C(C=O)C=CC(O)=C1Cl D96245 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.278 CC1=C(O)C=CC(C#N)=C1N C11545 [1,1,0,0,0,0|1,0,1]=4 61 B13R1.298 COC1=CC(C(=O)O)=CC(S)=C1N C90535 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.3091 C=CC1=C(CO)C=CC(C(C)=O)=C1 AC4185 [0,2,0,0,0,0|1,0,1]=4 63 B13R1.3091 COC1=C(C#N)C=CC(C(=O)O)=N1 D76562 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.99 COC1=C(B(O)O)C=CC(CO)=C1 D71598 [0,2,0,0,0,0|0,0,2]=4 65 B13R1.2900 CCOC1=CC(C=O)=C(Br)C=C1C AT10785 [0,2,0,0,0,0|1,0,0]=3 66 B11R2.36 BrC1=NC2=C(C=C1)OCO2 AC9526 [1,0,0,1,0,0|2,0,0]=4 67 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCN2 F17560 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.430 CC(=O)C1=NC2=C(C=C1)CCO2 AT22074 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NO2 AC9135 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.430 O=C(O)C1=CC2=C(C=C1)ON=C2 P20499 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.57 O=CC1=CN=C2OCCCC2=C1 D75294 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.57 O=CC1=CN=C2OCCOC2=C1 D75313 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.669 O=CC1=CC2=C(C=C1)COB2O D74058 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.2130 CC1=COC2=C1C=CC(C=O)=C2 98468 [0,1,0,1,0,0|1,0,1]=4 75 B13R2.2130 CC1=NOC2=C1C=CC(C=O)=C2 D77028 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.2121 CC1=CC2=C(C=C(C=O)C=C2)N1 AC8723 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.599 CSC1=C(N)C=C2OCOC2=C1 AC8438 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.599 NC1=C(C=O)C=C2OCCC2=C1 C93109 [0,1,0,1,0,0|1,0,0]=3 79 B13R2.599 OCC1=C(I)C=C2OCOC2=C1 AC6631 [0,1,0,1,0,0|0,0,2]=4 80 B13R2.84 O=CC1=C(O)C2=C(C=C1)CCC2 AC2884 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.14 COC1=NSC=C1C=O AT11784 [1,0,0,0,1,0|2,0,0]=4