0 B11R2.1 BrC1=CN=C2C=CC=CN12 CC25410 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=COC2=C1C=CC=C2 CC27510 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 ClC1=NOC2=C1C=CC=C2 MO00450 [0,0,0,0,0,0|1,0,0]=1 3 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [0,0,0,0,0,0|0,0,0]=0 4 B11R2.1 SC1=NN=C2C=CC=CN12 MO07000 [0,0,0,0,0,0|2,1,0]=3 5 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,0,0,0|2,0,0]=3 6 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.1 NCC1=CSC2=C1C=CC=C2 CC12313 [0,1,0,0,0,0|2,1,0]=4 8 B12R2.1 OCC1=CSC2=C1C=CC=C2 CC12309 [0,1,0,0,0,0|1,1,0]=3 9 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,1,0,0,0,0|2,1,0]=4 11 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.132 NC1=NNC2=CC=C(I)C=C21 NP43580 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 MO08226 [0,1,0,0,0,0|1,0,0]=2 14 B12R2.132 OC1=NOC2=C1C=C(Cl)C=C2 RF01279 [0,1,0,0,0,0|0,0,0]=1 15 B12R2.196 CC1=CC=CC2=C1ON=C2O RF03630 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.203 NC1=NNC2=C1C(I)=CC=C2 NP43575 [0,1,0,0,0,0|2,0,0]=3 17 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 NP42952 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.2028 CN1N=C(Br)C2=C1N=CC=C2 CC70910 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.2028 CN1N=C(N)C2=CC=CC=C21 NP43572 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [0,0,1,0,0,0|1,0,0]=2 23 B10R1.15 N\C(=N/O)C1=CC=CN=C1 S01204 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,0,1,0,0,0|3,0,0]=4 31 B12R2.24 NC1=CC2=CC=CC=C2C=N1 BTB10019 [0,0,0,0,0,1|2,0,0]=3 32 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,1,0,0,0|1,0,1]=4 36 B9R1.6 OB(O)C1=CC=NC=C1 CC04212 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,1,1,0,0,0|1,0,0]=3 38 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.222 CC1=CC=CN=C1\C(N)=N\O MO01289 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BTB09548 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [0,1,1,0,0,0|2,0,0]=4 43 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,1,0,0,0|1,0,1]=4 44 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,1,1,0,0,0|2,0,0]=4 45 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,1,0,0,0|1,0,1]=4 46 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,1,0,0,0|2,0,0]=4 48 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,1,1,0,0,0|1,0,1]=4 49 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 CC06610 [1,1,0,0,0,0|1,0,0]=3 50 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 CC12210 [1,1,0,0,0,0|1,1,0]=4 51 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [1,1,0,0,0,0|1,0,0]=3 52 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [1,1,0,0,0,0|1,0,1]=4 53 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [1,1,0,0,0,0|1,0,0]=3 54 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [1,1,0,0,0,0|1,0,0]=3 55 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [1,1,0,0,0,0|1,0,0]=3 56 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [1,1,0,0,0,0|1,0,1]=4 57 B11R2.36 NC1=CC2=C(C=C1)SC=C2 CC24814 [1,1,0,0,0,0|1,1,0]=4 58 B11R2.106 BrC1=CC=CC2=C1NC=C2 MO00800 [1,1,0,0,0,0|2,0,0]=4 59 B11R2.106 BrC1=CC=CC2=C1OC=C2 MAY00313 [1,1,0,0,0,0|1,0,0]=3 60 B11R2.106 BrC1=CC=CC2=C1OCO2 CC01710 [1,1,0,0,0,0|2,0,0]=4 61 B11R2.106 BrC1=CC=CC2=C1SC=C2 CC29410 [1,1,0,0,0,0|1,1,0]=4 62 B11R2.106 ClC1=NC=CC2=C1C=CO2 MO00326 [1,1,0,0,0,0|2,0,0]=4 63 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [1,1,0,0,0,0|1,0,1]=4 64 B11R2.106 NC1=CC=CC2=C1C=NN2 MAY00334 [1,1,0,0,0,0|1,0,0]=3 65 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [0,1,0,0,0,1|2,0,0]=4 67 B13R2.57 OCC1COC2=CC=CC=C2C1 CC25809 [0,1,0,0,0,1|1,0,1]=4 68 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 RJC02157 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 NP45351 [0,1,0,0,0,1|1,0,1]=4 70 B13R2.371 O=C1NN=C(Cl)C2=CC=CC=C12 BTB09944 [0,1,0,0,0,1|1,0,1]=4 71 B13R2.1613 BrCC1=NC=CC2=CC=CC=C21 CC05108 [0,1,0,0,0,1|2,0,0]=4 72 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 CC04904 [0,1,0,0,0,1|1,0,1]=4 73 B13R2.4818 O=C1C=COC2=CC=CC(O)=C12 BTB09974 [0,1,0,0,0,1|1,0,1]=4 74 B13R2.4818 OC1=NC=NC2=C1C(F)=CC=C2 BTB04061 [0,1,0,0,0,1|1,0,0]=3 75 B13R2.1 OCCC1=COC2=C1C=CC=C2 CC40809 [0,2,0,0,0,0|1,0,0]=3 76 B13R2.72 O=C(Cl)C1=COC2=C1C=CC=C2 CC27502 [0,2,0,0,0,0|1,0,1]=4 77 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 CC12701 [0,2,0,0,0,0|2,0,0]=4 78 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CC12301 [0,2,0,0,0,0|1,1,0]=4 79 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 MO07468 [0,2,0,0,0,0|1,0,0]=3 80 B13R2.2136 OCC1=CSC2=CC=C(Br)C=C12 CC33509 [0,2,0,0,0,0|1,1,0]=4 81 B13R2.2931 CN1N=C(C=O)C2=CC=CC=C21 CC06304 [0,2,0,0,0,0|1,0,1]=4 82 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 CC06363 [0,2,0,0,0,0|2,0,0]=4 83 B13R2.582 COC1=CC=CC2=C1C(N)=NO2 MO00345 [0,2,0,0,0,0|1,0,0]=3