0 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.5 CC1=CC=CNC1=O CD09405 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.5 FC1=NC=CC=C1I MO00359 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 IC1=CC=NC=C1 MO00014 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 CC1=C(O)N=CN=C1Cl MAY00120 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [0,1,0,0,0,0|1,0,0]=2 7 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.3 OC1=NN=CC(Cl)=C1Cl BTB06282 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.15 COC1=CC=CN=C1Br NP43815 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.15 COC1=CC=CN=C1N NP45374 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.15 COC1=NC=CC=C1N SPB07839 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.15 N#CC1=CC=NC=C1Br NP45227 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.15 N#CC1=CN=CC=C1I NP43745 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.15 N#CC1=NC=CC=C1F MO07483 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.15 O=CC1=NC=CC=C1F CC30904 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.69 NC1=CC(Cl)=CN=C1Cl SPB06843 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.69 NC1=CC=C(Cl)N=C1Cl RF05052 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.69 NC1=NC=C(Br)C=C1Br BTB07310 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.4 CC1=C(I)C=NO1 CC26311 [0,0,0,0,1,0|3,0,0]=4 35 B7R1.4 CN1N=CC=C1I CC62311 [0,0,0,0,1,0|3,0,0]=4 36 B7R1.4 CN1N=CC=C1N GK03066 [0,0,0,0,1,0|3,0,0]=4 37 B7R1.4 ClC1=C(Br)C=CS1 AC25875 [0,0,0,0,1,0|3,0,0]=4 38 B8R1.2 ClCC1=NC=CC=N1 MAY00188 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.3 CC1=CN=C(N)C=N1 MO08458 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,1,0,0,0,0|1,0,0]=3 42 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [1,1,0,0,0,0|2,0,0]=4 44 B8R1.4 CC1=CC(Cl)=NC=N1 NP45412 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.4 FC1=NC=CC(I)=C1 MO07994 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [1,1,0,0,0,0|1,0,1]=4 51 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.4 OC1=NC=NC(Cl)=C1 MO07170 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,1,0,0,1,0|1,0,1]=4 55 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,1,0,0,1,0|2,0,0]=4 56 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,1,0,0,1,0|1,0,0]=3 57 B8R1.11 CN1C=CC=C1CN CC02713 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.11 CN1C=CN=C1CO CC20809 [0,1,0,0,1,0|2,0,0]=4 59 B8R1.11 CN1N=CC=C1CO CC62309 [0,1,0,0,1,0|2,0,0]=4 60 B8R1.11 NCC1=C(Br)SC=C1 SPB08448 [0,1,0,0,1,0|2,0,0]=4 61 B8R1.11 OCC1=CSC=C1Br CC54209 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.2 FC1=C(CBr)C=CC=C1Br MAY00216 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.22 CC1=C(N)C(N)=CC(Br)=C1 MO07383 [0,2,0,0,0,0|1,0,0]=3 64 B10R1.22 CC1=C(O)C(Cl)=CC(Br)=C1 SB01216 [0,2,0,0,0,0|0,0,0]=2 65 B10R1.22 CC1=CC(I)=CC(C)=C1O RDP00223 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.22 ClC1=CC(Cl)=C(I)C(Cl)=C1 TL00270 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.22 NC1=C(F)C=C(Br)C=C1Br BTB06640 [0,2,0,0,0,0|2,0,0]=4 68 B10R1.245 NNC1=C(Cl)C=CC=C1Cl BTB08663 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.4 CNCC1=NC=CC=C1F CC30946 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,2,0,0,0,0|0,1,0]=3 71 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,2,0,0,0,0|1,0,0]=3 72 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,2,0,0,0,0|1,0,1]=4 73 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,2,0,0,0,0|1,0,0]=3 74 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,2,0,0,0,0|1,0,1]=4 76 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,2,0,0,0,0|2,0,0]=4 78 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl DP01309 [0,2,0,0,0,0|1,0,1]=4 79 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [0,2,0,0,0,0|1,0,1]=4 80 B10R1.61 CC1=C(B(O)O)C=CC=N1 NP43039 [0,2,0,0,0,0|1,0,0]=3 81 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,2,0,0,0,0|2,0,0]=4 87 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 TL00770 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.118 CC1=CC(I)=C(C)C=C1I BTB13663 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.118 CC1=CC(N)=C(C)C=C1Cl MAY00162 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.118 CC1=NC(Cl)=C(Br)C=C1Br MAY00204 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,2,0,0,0,0|1,0,0]=3 92 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,2,0,0,0,0|1,0,0]=3 93 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [0,1,0,1,0,0|0,0,0]=2 94 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [0,1,0,1,0,0|1,0,0]=3 95 B6R1.2 BrC1=CC=CO1 CC02010 [1,0,0,0,1,0|2,0,0]=4