0 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 NC1=CC(Cl)=CN=C1Cl SPB06843 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 NC1=NC=C(Br)C=C1Br BTB07310 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.3 CC1=CN=C(N)C=N1 MO08458 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,0,0,0,0,0|0,0,2]=3 17 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.3 CC1=NNC(=O)CC1 BTB06143 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.5 CC1=CC=CNC1=O CD09405 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.5 FC1=NC=CC=C1I MO00359 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 TL00770 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.118 CC1=CC(I)=C(C)C=C1I BTB13663 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.118 CC1=CC(N)=C(C)C=C1Cl MAY00162 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.50 CC1=NNC(N)=C1Br KM01090 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,1,0,0,0,0|1,1,0]=4 36 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [1,1,0,0,0,0|1,0,1]=4 37 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|1,1,0]=4 40 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [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|1,0,1]=4 44 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.34 CC1=CC(C)=CC(F)=C1 HAN00040 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.34 NC1=CC(O)=CC(O)=C1 BTB10193 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.15 COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.22 CC1=CC(C)=C(C=O)N1 CC18004 [0,1,0,0,1,0|1,0,0]=3 53 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.11 NNC(=O)C1=CC=CO1 BTB07860 [0,0,1,1,0,0|1,0,1]=4