0 B7R1.4 CC1=C(I)C=NO1 CC26311 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.4 CC1OCCC1=O SB01113 [0,0,0,0,0,0|0,1,3]=4 2 B7R1.4 CN1N=CC=C1I CC62311 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.4 CN1N=CC=C1N GK03066 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.4 ClC1=C(Br)C=CS1 AC25875 [0,0,0,0,0,0|2,1,0]=3 5 B6R1.2 BrC1=CC=CO1 CC02010 [1,0,0,0,0,0|1,0,0]=2 6 B6R1.2 ClC1=NC=CS1 MO07794 [1,0,0,0,0,0|2,1,0]=4 7 B6R1.2 IC1=NNC=C1 NP44481 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 SC1=NNC=N1 SB00858 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,1,0,0,0,0|0,1,0]=2 10 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,1,0,0,0,0|2,1,0]=4 11 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,1,0,0,0,0|2,1,0]=4 12 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,1,0,0,0,0|0,1,0]=2 14 B8R1.11 CN1C=CC=C1CN CC02713 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.11 CN1C=CN=C1CO CC20809 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.11 CN1N=CC=C1C=O CC62304 [0,1,0,0,0,0|2,1,0]=4 17 B8R1.11 CN1N=CC=C1CO CC62309 [0,1,0,0,0,0|2,1,0]=4 18 B8R1.11 N#CC1=C(Br)SC=C1 CC56616 [0,1,0,0,0,0|2,1,0]=4 19 B8R1.11 N#CC1=C(N)SC=C1 GK01096 [0,1,0,0,0,0|2,1,0]=4 20 B8R1.11 NCC1=C(Br)SC=C1 SPB08448 [0,1,0,0,0,0|2,1,0]=4 21 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [0,1,0,0,0,0|1,1,1]=4 22 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [0,1,0,0,0,0|1,2,0]=4 23 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [0,1,0,0,0,0|1,1,1]=4 24 B8R1.11 OCC1=CSC=C1Br CC54209 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.50 CC1=C(Br)C(N)=NO1 BTB05698 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.50 CC1=NC=C(Br)N1C CC25110 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.50 CC1=NNC(N)=C1Br KM01090 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.50 CC1=NOC(C)=C1Br CC00610 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.50 CC1=NOC(N)=C1C SB00914 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.4 CC1=CC(Cl)=NC=N1 NP45412 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.4 ClC1=CC=CC(I)=C1 TL00516 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 FC1=NC=CC(I)=C1 MO07994 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.4 O=C1C=C(I)C=CN1 MO07919 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [0,0,0,0,0,1|2,0,0]=3 42 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [0,0,0,0,0,1|2,0,0]=3 43 B8R1.5 CC1=CC=CNC1=O CD09405 [0,0,0,0,0,1|1,1,0]=3 44 B8R1.5 FC1=NC=CC=C1I MO00359 [0,0,0,0,0,1|3,0,0]=4 45 B5R0.3 C\C(C=O)=C/N RH01431 [1,0,1,0,0,0|1,1,0]=4 46 B7R0.4 CCO\C=C\C(=O)O RH00924 [0,1,1,0,0,0|0,1,1]=4 47 B7R1.1 C#CC1=CC=CS1 CC13047 [1,1,0,0,0,0|0,1,1]=4 48 B7R1.1 NCC1=CN=CS1 MO08602 [1,1,0,0,0,0|1,1,0]=4 49 B7R1.1 NCC1=CSC=C1 CC13113 [1,1,0,0,0,0|1,1,0]=4 50 B7R1.1 NCC1=NC=CS1 CC09513 [1,1,0,0,0,0|1,1,0]=4 51 B7R1.1 O=CC1=CC=CN1 CC08704 [1,1,0,0,0,0|1,0,1]=4 52 B7R1.1 OCC1=NC=CN1 CC08909 [1,1,0,0,0,0|2,0,0]=4 53 B7R1.1 OCC1=NC=CS1 CC09509 [1,1,0,0,0,0|1,1,0]=4 54 B7R1.2 BrC1=CSC(Br)=C1 CC28510 [1,1,0,0,0,0|1,1,0]=4 55 B7R1.2 CC1=CC(C)=NO1 TL00573 [1,1,0,0,0,0|1,0,0]=3 56 B7R1.2 CC1=COC(N)=N1 KM08202 [1,1,0,0,0,0|2,0,0]=4 57 B7R1.2 CC1=NC(I)=CN1 MO00831 [1,1,0,0,0,0|2,0,0]=4 58 B7R1.2 CN1C=CC(Cl)=N1 MO08357 [1,1,0,0,0,0|2,0,0]=4 59 B7R1.2 CN1C=CC(I)=N1 CC48311 [1,1,0,0,0,0|2,0,0]=4 60 B7R1.2 CN1C=CC(N)=N1 GK00321 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [0,1,0,0,0,1|1,0,0]=3 62 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [0,1,0,0,0,1|1,1,0]=4 63 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [0,1,0,0,0,1|2,0,0]=4 64 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [0,1,0,0,0,1|2,0,0]=4 65 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [0,1,0,0,0,1|2,0,0]=4 66 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [0,1,0,0,0,1|2,0,0]=4 68 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [0,1,0,0,0,1|2,0,0]=4 69 B9R1.34 CC1=CC(C)=CC(F)=C1 HAN00040 [0,1,0,0,0,1|2,0,0]=4 70 B9R1.34 CC1=CC(Cl)=CC(C)=N1 MAY00207 [0,1,0,0,0,1|2,0,0]=4 71 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,1,0,0,0,1|2,0,0]=4 72 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [0,1,0,0,0,1|2,0,0]=4 73 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.15 COC1=CC=CN=C1Br NP43815 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.15 COC1=CC=CN=C1N NP45374 [0,1,0,0,0,1|2,0,0]=4 76 B9R1.15 COC1=NC=CC=C1N SPB07839 [0,1,0,0,0,1|2,0,0]=4 77 B9R1.14 COC1=C(CN)SC=C1 CC68613 [0,2,0,0,0,0|0,2,0]=4 78 B9R1.27 CC1=COC(C)=C1C=O CC65804 [0,2,0,0,0,0|0,1,0]=3 79 B9R1.27 CC1=NOC(C)=C1C=O CC00604 [0,2,0,0,0,0|1,1,0]=4 80 B9R1.33 CNCC1=C(Br)OC=C1 CC64796 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.33 CNCC1=C(C)C=CO1 CC55546 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.33 CNCC1=C(C)OC=C1 CC55446 [0,2,0,0,0,0|1,0,0]=3 83 B9R1.41 CC1=C(C(=O)Cl)C=NO1 CC26302 [0,2,0,0,0,0|1,1,0]=4 84 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,2,0,0,0,0|1,0,1]=4 85 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,2,0,0,0,0|1,0,1]=4 86 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,2,0,0,0,0|1,1,0]=4 87 B9R1.23 CC1=C(C)OC(C=O)=C1 BTB08889 [0,2,0,0,0,0|1,0,0]=3