0 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 FC1=C(Cl)C=CN=C1Br Y10117 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.3 O=C1NC=CC(I)=C1F AC9810 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 O=C1C=COC(=O)C1 A11284 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 C11267 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.22 CC1=NC(Cl)=CC(Br)=C1N D96573 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.119 OC1=C(F)C=CC(Br)=C1O Y14674 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.245 CC1=CN=CC(C)=C1CO 51705 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.50 CC1=CNC(=O)N1C AT20167 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,0,0,0,1,0|2,1,0]=4 45 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.2 NCC1=CC(=O)N=CN1 38507 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.2 OCC1=NC=CC(F)=C1 79250 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.15 CC1=C(CO)C=CN=N1 F30531 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [0,2,0,0,0,0|1,0,1]=4 59 B11R1.159 CC(=O)C1=C(Br)C(C)=CC=C1 D82779 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.159 O=C(O)C1=C(O)C(F)=NC=C1 D94423 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.265 OCC1=CC=CC(Br)=C1CO 97055 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.267 N#CC1=CC=CC(C=O)=C1O Y14731 [0,2,0,0,0,0|1,0,1]=4 63 B11R1.278 CCN1C=CC(=O)C(O)=C1C 79576 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.278 O=CC1=C(O)C(F)=C(Br)C=C1 F53695 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.32 CC1=C(C)C(=O)C(I)=C(C)N1 W12382 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.41 CC(=O)C1=C(C)N=CO1 Y13954 [0,0,1,1,0,0|1,0,1]=4 67 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.4 CN1CC=CC1=O N13365 [1,0,0,0,1,0|2,0,0]=4