0 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 NC1=CC(Cl)=CN=C1Cl SPB06843 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 NC1=CC=C(Cl)N=C1Cl RF05052 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 NC1=NC=C(Br)C=C1Br BTB07310 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 NC1=NC=C(Br)N=C1N MAY00135 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.3 CC1=CN=C(N)C=N1 MO08458 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.3 NC1=NC=C(Br)N=C1 MO00943 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.5 CC1=CC=CNC1=O CD09405 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.5 FC1=NC=CC=C1I MO00359 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.118 CC1=CC(I)=C(C)C=C1I BTB13663 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.118 CC1=CC(N)=C(C)C=C1Cl MAY00162 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.118 CC1=NC(Cl)=C(Br)C=C1Br MAY00204 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.18 CN1C=C(Br)C(N)=N1 GK00323 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.50 CC1=C(Br)C(N)=NO1 BTB05698 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.50 CC1=NC=C(Br)N1C CC25110 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.50 CC1=NN=C(C)N1N CD08995 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.50 CC1=NNC(N)=C1Br KM01090 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.50 CC1=NOC(C)=C1Br CC00610 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.50 CC1=NOC(N)=C1C SB00914 [0,0,0,0,1,0|2,0,0]=3 35 B7R1.3 NC1=NC=CN=N1 AC14623 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.34 CC1=CC(C)=CC(F)=C1 HAN00040 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.34 CC1=CC(Cl)=CC(C)=N1 MAY00207 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.15 COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.15 COC1=NC=CC=C1N SPB07839 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.15 N#CC1=NC=CN=C1Cl KM04911 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,1,0|0,0,2]=4 52 B9R1.22 CC1=NN(C)C(C=O)=C1 CC12504 [0,1,0,0,1,0|1,0,1]=4 53 B9R1.22 CC1=NN(C)C(CCl)=C1 CC12524 [0,1,0,0,1,0|1,0,0]=3 54 B9R1.22 CC1=NN(C)C(CO)=C1 CC12509 [0,1,0,0,1,0|1,0,0]=3 55 B9R1.22 CN1C=C(Br)C(CCl)=N1 CC63924 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.22 CN1C=C(Br)C(CO)=N1 CC63909 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [0,1,0,0,1,0|1,0,1]=4 58 B9R1.23 CC1=CC(CO)=NN1C CC12609 [0,1,0,0,1,0|1,0,0]=3 59 B9R1.27 CC1=COC(C)=C1C=O CC65804 [0,1,0,0,1,0|1,0,1]=4 60 B9R1.27 CC1=NOC(C)=C1C=O CC00604 [0,1,0,0,1,0|1,0,1]=4 61 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.132 CC1=NC=C(C=O)N1C CC25104 [0,1,0,0,1,0|1,0,1]=4 63 B7R1.2 CC1=CC(C)=NO1 TL00573 [1,0,0,0,1,0|1,0,0]=3 64 B7R1.2 CC1=COC(N)=N1 KM08202 [1,0,0,0,1,0|2,0,0]=4 65 B7R1.2 CC1=NC(I)=CN1 MO00831 [1,0,0,0,1,0|1,0,1]=4 66 B7R1.4 CC1=C(I)C=NO1 CC26311 [1,0,0,0,1,0|2,0,0]=4