0 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 NC1=CC=C(CO)C=N1 MO07396 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.1 O=CC1=CN=C(Cl)N=C1 NP43845 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.3 CC1=CN=C(N)C=N1 MO08458 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.3 NC1=CC=C(Br)N=N1 MO07086 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 NC1=CC=C(Cl)N=N1 BTB05877 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.3 NC1=CN=C(Cl)N=C1 NP43432 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.3 NC1=NC=C(Br)N=C1 MO00943 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.1 CCCC1=CN=C(Cl)N=C1 RJC02409 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.1 CNCC1=NC=C(Br)C=C1 MO07896 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.3 C#CC1=CC=C(CC)C=C1 BTB09906 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.3 COC1=CC=C(C#N)C=N1 SPB04785 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.3 O=CC1=CC=C(CBr)C=C1 MO07312 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.176 CC1=C(Cl)C=C(CN)C=C1 TL00917 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.176 OCC1=CC(O)=C(I)C=C1 MO07809 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 CC1=CC(CBr)=NO1 CC10408 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.1 CC1=CC(CCl)=NO1 SPB01262 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.1 CC1=CC(CN)=NO1 CC10413 [0,0,0,0,1,0|3,0,0]=4 34 B8R1.1 CC1=CC(CO)=NO1 CC10409 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.1 CC1=CC=C(C#N)S1 CC65016 [0,0,0,0,1,0|2,0,1]=4 36 B8R1.1 CC1=CC=C(CN)S1 CC65063 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [0,0,0,0,1,0|2,0,1]=4 38 B8R1.1 CC1=CSC(CN)=C1 CC30613 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.1 CC1=NC(C=O)=CN1 SB01361 [0,0,0,0,1,0|2,0,1]=4 40 B8R1.1 CC1=NC(C=O)=CO1 CC57904 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.1 CC1=NC(C=O)=CS1 CC05704 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.1 CC1=NC(CCl)=CS1 CD09497 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.1 CC1=NC(CN)=CS1 CC05713 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.1 CC1=NC(CO)=CS1 CC05709 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.1 CC1=NOC(CN)=C1 CC27013 [0,0,0,0,1,0|2,0,0]=3 46 B8R1.1 CC1=NOC(CO)=C1 CC27009 [0,0,0,0,1,0|2,0,0]=3 47 B8R1.1 CCC1=CC(N)=NN1 MAY00221 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.1 CN1C=CC(CO)=N1 CC48309 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.1 CN1C=NC(CN)=C1 CC03613 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.1 OCC1=CC(Br)=CS1 CC28509 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 ClCC1=CC(Br)=CN=C1 CC67174 [1,1,0,0,0,0|1,0,0]=3 55 B9R1.2 N#CC1=CC(Br)=CN=C1 KM08398 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,1,0,0,0,0|0,0,0]=2 59 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,1,0,0,0,0|0,0,0]=2 61 B9R1.8 S=C=NC1=CC=CN=C1 CC04107 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.15 COC1=CC=CN=C1N NP45374 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.15 N#CC1=CN=CC=C1I NP43745 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [1,1,0,0,0,0|1,0,0]=3 69 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.69 NC1=CC(Cl)=CN=C1Cl SPB06843 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.69 NC1=CC=C(Cl)N=C1Cl RF05052 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 NC1=NC=C(Br)C=C1Br BTB07310 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.7 CC1=CSC(CC#N)=N1 SB02109 [0,1,0,0,1,0|1,0,1]=4 76 B9R1.7 CC1=NC(CCN)=CS1 CC54613 [0,1,0,0,1,0|1,0,0]=3 77 B9R1.7 CC1=NC(CCO)=CS1 CC54609 [0,1,0,0,1,0|1,0,0]=3 78 B9R1.7 CNCC1=CC(C)=CS1 CC30646 [0,1,0,0,1,0|1,0,0]=3 79 B9R1.7 CNCC1=CC(C)=NO1 CC27046 [0,1,0,0,1,0|1,0,0]=3 80 B9R1.7 CNCC1=CC=C(C)S1 CC65096 [0,1,0,0,1,0|1,0,0]=3 81 B9R1.7 CNCC1=COC(C)=N1 CC57946 [0,1,0,0,1,0|1,0,0]=3 82 B9R1.7 CNCC1=CSC(C)=N1 CC05746 [0,1,0,0,1,0|1,0,0]=3 83 B9R1.7 CNCC1=NOC(C)=C1 CC10446 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.22 CC1=NN(C)C(CCl)=C1 CC12524 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.22 CC1=NN(C)C(CO)=C1 CC12509 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.22 CN1C=C(Br)C(CCl)=N1 CC63924 [0,1,0,0,1,0|2,0,0]=4 87 B9R1.22 CN1C=C(Br)C(CO)=N1 CC63909 [0,1,0,0,1,0|2,0,0]=4 88 B9R1.23 CC1=CC(CO)=NN1C CC12609 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.132 CC1=CC=C(CN)N1C SP01447 [0,1,0,0,1,0|1,0,1]=4 90 B11R1.83 C#CC1=CC=C(CCC)C=C1 BTB09905 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.83 CCC1=CC=C(CNC)C=C1 MO00891 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.83 CNCC1=CC=C(OC)C=C1 MO00889 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.83 N#CC1=CC=C(CCO)C=C1 TL00139 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.3 CC(C)C1=CC=C(C#N)C=C1 SB00932 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 NP43106 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SB01749 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,2,0,0,0,0|1,0,1]=4 99 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,1,0,1,0,0|2,0,0]=4 100 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.1 NCC1=CN=CS1 MO08602 [1,0,0,0,1,0|2,0,0]=4 102 B7R1.1 NCC1=CSC=C1 CC13113 [1,0,0,0,1,0|2,0,0]=4 103 B7R1.1 NCC1=NC=CS1 CC09513 [1,0,0,0,1,0|2,0,0]=4 104 B7R1.1 OCC1=NC=CN1 CC08909 [1,0,0,0,1,0|2,0,0]=4 105 B7R1.1 OCC1=NC=CS1 CC09509 [1,0,0,0,1,0|2,0,0]=4 106 B7R1.2 CC1=CC(C)=NO1 TL00573 [1,0,0,0,1,0|1,0,0]=3 107 B7R1.2 CC1=COC(N)=N1 KM08202 [1,0,0,0,1,0|2,0,0]=4 108 B7R1.2 CC1=NC(I)=CN1 MO00831 [1,0,0,0,1,0|2,0,0]=4 109 B7R1.2 CN1C=CC(Cl)=N1 MO08357 [1,0,0,0,1,0|2,0,0]=4 110 B7R1.2 CN1C=CC(I)=N1 CC48311 [1,0,0,0,1,0|2,0,0]=4 111 B7R1.2 CN1C=CC(N)=N1 GK00321 [1,0,0,0,1,0|2,0,0]=4