0 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [0,0,0,0,0,0|1,1,1]=3 1 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 BrC1=CN=C2C=CC=CN12 CC25410 [0,1,0,0,0,0|2,0,0]=3 3 B11R2.1 BrC1=CN=C2C=CC=NN12 MAY00252 [0,1,0,0,0,0|3,0,0]=4 4 B11R2.1 BrC1=COC2=C1C=CC=C2 CC27510 [0,1,0,0,0,0|1,1,0]=3 5 B11R2.1 ClC1=NOC2=C1C=CC=C2 MO00450 [0,1,0,0,0,0|2,1,0]=4 6 B11R2.1 NC1=CSC2=NC=CN=C12 MO07822 [0,1,0,0,0,0|3,0,0]=4 7 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [0,1,0,0,0,0|2,1,0]=4 8 B11R2.1 SC1=NN=C2C=CC=CN12 MO07000 [0,1,0,0,0,0|3,0,0]=4 9 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 CC06610 [0,1,0,0,0,0|1,1,0]=3 10 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 CC12210 [0,1,0,0,0,0|1,0,0]=2 11 B11R2.10 OC1=NC2=C(C=CC=N2)O1 SPB06586 [0,1,0,0,0,0|1,1,0]=3 12 B11R2.10 SC1=NC2=C(N=CC=C2)S1 RH00329 [0,1,0,0,0,0|1,0,0]=2 13 B11R2.36 BrC1=CC2=C(C=C1)N=CS2 CC05910 [0,1,0,0,0,0|0,0,0]=1 14 B11R2.36 BrC1=CC2=C(C=C1)NC=N2 CC45910 [0,1,0,0,0,0|1,0,0]=2 15 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [0,1,0,0,0,0|1,1,0]=3 16 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,1,0,0,0,0|1,1,1]=4 17 B11R2.36 BrC1=CC2=NON=C2C=C1 CC09710 [0,1,0,0,0,0|2,0,0]=3 18 B11R2.36 BrC1=CC2=NSN=C2C=C1 CC09210 [0,1,0,0,0,0|2,0,0]=3 19 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [0,1,0,0,0,0|2,0,1]=4 20 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [0,1,0,0,0,0|2,0,1]=4 21 B11R2.36 NC1=CC2=C(C=C1)N=CS2 CC05914 [0,1,0,0,0,0|0,0,0]=1 22 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [0,1,0,0,0,0|1,1,0]=3 23 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,1,0,0,0,0|1,1,1]=4 24 B11R2.36 NC1=CC2=C(C=C1)SC=C2 CC24814 [0,1,0,0,0,0|1,0,0]=2 25 B11R2.36 NC1=CC2=C(C=C1)SC=N2 MO07036 [0,1,0,0,0,0|0,0,0]=1 26 B11R2.106 BrC1=CC=CC2=C1NC=C2 MO00800 [0,1,0,0,0,0|1,0,1]=3 27 B11R2.106 BrC1=CC=CC2=C1OC=C2 MAY00313 [0,1,0,0,0,0|1,1,0]=3 28 B11R2.106 BrC1=CC=CC2=C1OCO2 CC01710 [0,1,0,0,0,0|1,1,1]=4 29 B11R2.106 BrC1=CC=CC2=C1SC=C2 CC29410 [0,1,0,0,0,0|1,0,0]=2 30 B11R2.106 BrC1=CC=CC2=NSN=C12 CC09110 [0,1,0,0,0,0|2,0,0]=3 31 B11R2.106 ClC1=CC=NC2=CC=NN12 NP43849 [0,1,0,0,0,0|3,0,0]=4 32 B11R2.106 ClC1=NC=CC2=C1C=CO2 MO00326 [0,1,0,0,0,0|2,1,0]=4 33 B11R2.106 ClC1=NC=NC2=C1C=CS2 GK02802 [0,1,0,0,0,0|3,0,0]=4 34 B11R2.106 ClC1=NC=NC2=C1SC=C2 GK00377 [0,1,0,0,0,0|3,0,0]=4 35 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [0,1,0,0,0,0|1,1,1]=4 36 B11R2.106 IC1=CC=CC2=NSN=C12 CC09111 [0,1,0,0,0,0|2,0,0]=3 37 B11R2.106 NC1=CC=CC2=C1C=NN2 MAY00334 [0,1,0,0,0,0|2,0,1]=4 38 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [0,1,0,0,0,0|1,1,1]=4 39 B11R2.106 NC1=CC=CC2=NON=C12 BTB13048 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.8 S=C=NC1=CC=CN=C1 CC04107 [0,0,1,0,0,0|1,0,2]=4 41 B11R2.20 C1=CC=C2OCCNC2=C1 MAY00300 [0,0,0,0,0,1|0,1,2]=4 42 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.1 S=C=NC1=CC=C(I)C=C1 S00350 [0,1,1,0,0,0|0,0,2]=4 44 B10R1.10 S=C=NC1=CC(Cl)=CC=C1 TL00490 [0,1,1,0,0,0|0,0,2]=4 45 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [0,1,1,0,0,0|1,0,0]=3 46 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,1,1,0,0,0|0,0,2]=4 47 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,1,1,0,0,0|0,0,2]=4 48 B12R2.24 BrC1=CC2=C(C=C1)C=NC=C2 NP42946 [0,1,0,0,0,1|1,0,0]=3 49 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CC11710 [0,1,0,0,0,1|1,0,0]=3 50 B12R2.24 NC1=CC2=CC=CC=C2C=N1 BTB10019 [0,1,0,0,0,1|1,0,0]=3 51 B12R2.24 NC1=CC2=NC=CN=C2C=C1 CC11714 [0,1,0,0,0,1|1,0,0]=3 52 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 CC04310 [0,1,0,0,0,1|1,0,0]=3 53 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 CC05010 [0,1,0,0,0,1|1,0,0]=3 54 B12R2.1 NCC1=CSC2=C1C=CC=C2 CC12313 [0,2,0,0,0,0|1,0,0]=3 55 B12R2.1 OCC1=CSC2=C1C=CC=C2 CC12309 [0,2,0,0,0,0|1,0,0]=3 56 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,2,0,0,0,0|0,1,1]=4 57 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,2,0,0,0,0|1,0,0]=3 58 B12R2.132 CN1C=CC2=CC=C(Br)C=C21 CC44210 [0,2,0,0,0,0|1,0,1]=4 59 B12R2.196 CN1C=CC2=C1C=CC=C2Br CC45810 [0,2,0,0,0,0|1,0,1]=4 60 B12R2.203 CN1C=CC2=C1C(Br)=CC=C2 CC66910 [0,2,0,0,0,0|1,0,1]=4 61 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 CC41410 [0,2,0,0,0,0|1,0,1]=4 62 B12R2.612 CN1C=CC2=CC(N)=CC=C21 CC41414 [0,2,0,0,0,0|1,0,1]=4 63 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 MWP00042 [0,2,0,0,0,0|1,0,1]=4 64 B12R2.32 BrCC1=NC2=CC=CC=C2S1 CC06008 [0,2,0,0,0,0|0,0,0]=2 65 B12R2.32 NCC1=CC2=C(C=CC=C2)S1 CC12213 [0,2,0,0,0,0|1,0,0]=3 66 B12R2.32 NCC1=NC2=CC=CC=C2S1 CC06013 [0,2,0,0,0,0|0,0,0]=2 67 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CC12204 [0,2,0,0,0,0|1,0,0]=3 68 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 CC05604 [0,2,0,0,0,0|2,0,0]=4 69 B12R2.32 O=CC1=CN2C=CC=CC2=N1 CC31304 [0,2,0,0,0,0|2,0,0]=4 70 B12R2.32 O=CC1=NC2=CC=CC=C2S1 CC06004 [0,2,0,0,0,0|0,0,0]=2 71 B12R2.32 OCC1=CC2=C(N=CC=C2)S1 CC05609 [0,2,0,0,0,0|2,0,0]=4 72 B12R2.32 OCC1=CN2C=CC=CC2=N1 CC31309 [0,2,0,0,0,0|2,0,0]=4 73 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 MAY00305 [0,2,0,0,0,0|0,1,0]=3 74 B12R2.202 CN1C=C2C=CC=C(N)C2=N1 NP43245 [0,2,0,0,0,0|2,0,0]=4 75 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=C2 MO07070 [0,2,0,0,0,0|1,0,0]=3 76 B12R2.606 CC1=NC2=C(C=C(I)C=C2)S1 CC54711 [0,2,0,0,0,0|0,0,0]=2 77 B12R2.606 CN1C=C2C=CC(N)=CC2=N1 NP43243 [0,2,0,0,0,0|2,0,0]=4 78 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)S2 SB01025 [0,2,0,0,0,0|0,0,0]=2 79 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,2,0,0,0,0|0,1,1]=4 80 B12R2.606 NC1=CC=C2NC(S)=NC2=C1 AC34641 [0,2,0,0,0,0|1,0,0]=3 81 B12R2.606 NC1=NC2=CC=C(Cl)C=C2S1 BTB04800 [0,2,0,0,0,0|0,0,0]=2 82 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,2,0,0,0,0|1,0,1]=4 83 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,2,0,0,0,0|0,1,1]=4 84 B12R2.44 BrCC1=CC2=NON=C2C=C1 CC09708 [0,2,0,0,0,0|2,0,0]=4 85 B12R2.44 BrCC1=CC2=NSN=C2C=C1 CC09208 [0,2,0,0,0,0|2,0,0]=4 86 B12R2.44 ClCC1=CC2=C(C=C1)N=CS2 NP44135 [0,2,0,0,0,0|0,0,0]=2 87 B12R2.44 N#CC1=CC2=C(C=C1)OC=C2 CC07116 [0,2,0,0,0,0|1,1,0]=4 88 B12R2.44 N#CC1=CC2=C(C=C1)SC=C2 CC24816 [0,2,0,0,0,0|1,0,0]=3 89 B12R2.44 N#CC1=CN2C=CN=C2C=C1 CC33116 [0,2,0,0,0,0|2,0,0]=4 90 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 NP43115 [0,2,0,0,0,0|0,0,0]=2 91 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 CC45904 [0,2,0,0,0,0|1,0,0]=3 92 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 CC07104 [0,2,0,0,0,0|1,1,0]=4 93 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 CC24804 [0,2,0,0,0,0|1,0,0]=3 94 B12R2.44 O=CC1=CC2=NSN=C2C=C1 CC09204 [0,2,0,0,0,0|2,0,0]=4 95 B12R2.44 O=CC1=CN2C=CN=C2C=C1 CC33104 [0,2,0,0,0,0|2,0,0]=4 96 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 CC07109 [0,2,0,0,0,0|1,1,0]=4 97 B12R2.44 OCC1=CN2C=CN=C2C=C1 CC33109 [0,2,0,0,0,0|2,0,0]=4 98 B12R2.246 CC1=CC2=C(OC=C2)C(Br)=C1 MAY00316 [0,2,0,0,0,0|1,1,0]=4 99 B12R2.315 BrCC1=CC=CC2=NSN=C12 CC09108 [0,2,0,0,0,0|2,0,0]=4 100 B12R2.315 O=CC1=CC=CC2=C1OC=C2 CC78204 [0,2,0,0,0,0|1,1,0]=4 101 B12R2.315 O=CC1=CC=CC2=CC=NN12 MAY00231 [0,2,0,0,0,0|2,0,0]=4 102 B12R2.315 O=CC1=CC=CC2=NSN=C12 CC09104 [0,2,0,0,0,0|2,0,0]=4 103 B12R2.315 OCC1=CC=CC2=NON=C12 CC09609 [0,2,0,0,0,0|2,0,0]=4