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|3,0,0]=3 2 B11R2.1 ClC1=NOC2=C1C=CC=C2 MO00450 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.1 SC1=NN=C2C=CC=CN12 MO07000 [0,0,0,0,0,0|3,1,0]=4 5 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,0,0,0|3,0,0]=4 6 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.1 NCC1=CSC2=C1C=CC=C2 CC12313 [0,1,0,0,0,0|3,0,0]=4 8 B12R2.1 OCC1=CSC2=C1C=CC=C2 CC12309 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.132 CC1=CSC2=C1C=C(Cl)C=C2 MWP00002 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.132 NC1=CC=C2COC(=O)C2=C1 KM08380 [0,1,0,0,0,0|0,0,0]=1 11 B12R2.132 NC1=NNC2=CC=C(I)C=C21 NP43580 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.132 NC1=NOC2=C1C=C(Br)C=C2 MO08226 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.132 OC1=NOC2=C1C=C(Cl)C=C2 RF01279 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.196 CC1=CC=CC2=C1ON=C2O RF03630 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.203 NC1=NNC2=C1C(I)=CC=C2 NP43575 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 CC58710 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,0,0,0|1,0,0]=2 18 B12R2.612 O=C1COC2=C1C=CC(O)=C2 SEW02738 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.2028 CN1N=C(N)C2=CC=CC=C21 NP43572 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 MWP00042 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,0,1,0,0,0|3,0,0]=4 24 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.61 CC1=C(B(O)O)C=CC=N1 NP43039 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,0,1,0,0,0|1,0,0]=2 27 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,0,1,0,0,0|1,0,0]=2 28 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,0,1,0,0,0|2,0,0]=3 29 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,0,1,0,0,0|2,0,0]=3 32 B12R2.24 NC1=CC2=CC=CC=C2C=N1 BTB10019 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,1,0,0,0|1,0,0]=3 35 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [1,0,1,0,0,0|2,0,0]=4 36 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 MO07903 [0,1,1,0,0,0|2,0,0]=4 38 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,1,1,0,0,0|2,0,0]=4 39 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 MO08502 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,1,1,0,0,0|1,0,0]=3 43 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,1,1,0,0,0|2,0,0]=4 44 B11R1.28 NCCOCC1=CC=CC=C1 MO07103 [0,1,1,0,0,0|1,0,1]=4 45 B11R1.41 CCC1=CC=CC=C1N=C=O AC31420 [0,1,1,0,0,0|1,0,1]=4 46 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] SB01264 [0,1,1,0,0,0|1,0,1]=4 47 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1F SPB06439 [0,1,1,0,0,0|2,0,0]=4 48 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,1,0,0,0|2,0,0]=4 49 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,1,1,0,0,0|1,0,0]=3 50 B11R1.159 O=C(O)C1=CC=NC(F)=C1F NP44677 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,1,0,0,0|2,0,0]=4 52 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,1,0,0,0|0,0,0]=2 53 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,1,1,0,0,0|1,0,0]=3 54 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,1,1,0,0,0|2,0,0]=4 55 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,1,1,0,0,0|1,0,0]=3 57 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,1,1,0,0,0|2,0,0]=4 58 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 CC06610 [1,1,0,0,0,0|2,0,0]=4 59 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 CC12210 [1,1,0,0,0,0|2,0,0]=4 60 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [1,1,0,0,0,0|2,0,0]=4 61 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [1,1,0,0,0,0|2,0,0]=4 62 B11R2.36 BrC1=CC2=NON=C2C=C1 CC09710 [1,1,0,0,0,0|2,0,0]=4 63 B11R2.36 IC1=CC2=C(C=C1)C=NN2 NP43242 [1,1,0,0,0,0|2,0,0]=4 64 B11R2.36 IC1=CC2=C(C=C1)NN=C2 NP43571 [1,1,0,0,0,0|2,0,0]=4 65 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [1,1,0,0,0,0|2,0,0]=4 66 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [1,1,0,0,0,0|2,0,0]=4 67 B11R2.36 NC1=CC2=C(C=C1)SC=C2 CC24814 [1,1,0,0,0,0|2,0,0]=4 68 B11R2.106 BrC1=CC=CC2=C1NC=C2 MO00800 [1,1,0,0,0,0|2,0,0]=4 69 B11R2.106 BrC1=CC=CC2=C1OC=C2 MAY00313 [1,1,0,0,0,0|2,0,0]=4 70 B11R2.106 BrC1=CC=CC2=C1SC=C2 CC29410 [1,1,0,0,0,0|2,0,0]=4 71 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [1,1,0,0,0,0|2,0,0]=4 72 B11R2.106 NC1=CC=CC2=C1C=NN2 MAY00334 [1,1,0,0,0,0|2,0,0]=4 73 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.106 NC1=CC=CC2=NON=C12 BTB13048 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 CC04404 [0,1,0,0,0,1|1,0,1]=4 76 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 CC03504 [0,1,0,0,0,1|2,0,0]=4 77 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 NP45351 [0,1,0,0,0,1|2,0,0]=4 78 B13R2.371 O=C1NN=C(Cl)C2=CC=CC=C12 BTB09944 [0,1,0,0,0,1|1,0,1]=4 79 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 CC04904 [0,1,0,0,0,1|1,0,1]=4 80 B13R2.4818 O=C1C=COC2=CC=CC(O)=C12 BTB09974 [0,1,0,0,0,1|1,0,1]=4 81 B13R2.72 O=C(Cl)C1=COC2=C1C=CC=C2 CC27502 [0,2,0,0,0,0|2,0,0]=4 82 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 CC12701 [0,2,0,0,0,0|2,0,0]=4 83 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 CC12301 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 MO07468 [0,2,0,0,0,0|2,0,0]=4 85 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 SB02061 [0,2,0,0,0,0|2,0,0]=4 86 B13R2.135 CN1N=C2C=CC=CC2=C1C=O CC44404 [0,2,0,0,0,0|2,0,0]=4 87 B13R2.2091 O=CC1=CNC2=CC=CC(Br)=C12 MO07344 [0,2,0,0,0,0|2,0,0]=4 88 B13R2.2136 O=CC1=CNC2=C1C=C(F)C=C2 NP44335 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.2931 CN1N=C(C=O)C2=CC=CC=C21 CC06304 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O MO07293 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.11 COC(=O)C1=NNC=C1 MAY00321 [0,0,1,0,1,0|2,0,0]=4 92 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,0,1,0,1,0|2,0,0]=4 93 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,0,1,0,1,0|2,0,0]=4 94 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,0,1,0,1,0|2,0,0]=4 95 B9R1.41 CN1C=NC=C1C(=O)O CC23601 [0,0,1,0,1,0|2,0,0]=4 96 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,0,1,0,1,0|2,0,0]=4 97 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,0,1,0,1,0|2,0,0]=4