0 B11R1.22 CCC(=O)C1=NC=C(Br)C=N1 C72382 [1,0,0,0,0,0|3,0,0]=4 1 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.1511 CCOC(=O)C1=C(N)N=C(C)C=C1 D85758 [0,1,0,0,0,0|2,0,0]=3 3 B13R1.1511 CCOC(=O)C1=C(N)N=C(Cl)C=N1 F53707 [0,1,0,0,0,0|3,0,0]=4 4 B13R2.5179 O=C1CCCC2=CC(Cl)=NC=C12 C77404 [0,0,0,1,0,0|3,0,0]=4 5 B13R2.5179 O=C1CCSC2=C1C=CC(Br)=C2 79383 [0,0,0,1,0,0|3,0,0]=4 6 B13R2.5179 O=C1COCC2=C1C=CC(Br)=C2 71881 [0,0,0,1,0,0|3,0,0]=4 7 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 89005 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.5187 CC1=CC2=C(C=C1)C(=O)C[C@@H]2C Y13724 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(Br)C=C2 Y14557 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(Cl)C=C2 Y14560 [0,0,0,1,0,0|2,0,0]=3 11 B11R1.15 CCOC(=O)C1=CC(N)=NO1 AC5337 [0,0,0,0,1,0|2,0,0]=3 12 B11R1.15 CCOC(=O)C1=NNC(F)=C1 P15484 [0,0,0,0,1,0|3,0,0]=4 13 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 P15081 [0,0,0,0,0,1|3,0,0]=4 14 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [1,1,0,0,0,0|2,0,0]=4 15 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [1,1,0,0,0,0|2,0,0]=4 16 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 C75626 [1,1,0,0,0,0|2,0,0]=4 17 B12R1.12 CCC(CC)C1=CC=C(N)C=C1 79032 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=N1 W11515 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 O11922 [1,1,0,0,0,0|2,0,0]=4 20 B12R1.367 COC(=O)C1=CC=C(N)C(I)=N1 52591 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=N1 BL010140 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 79101 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.1703 COC(=O)C1=CN=C(F)C=C1N D96958 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.313 CCOC(=O)C1=C(N)SC(Br)=C1 D77189 [0,1,0,0,1,0|2,0,0]=4 30 B14R1.967 CCOC(=O)CC1=CC(N)=C(Cl)C=C1 W15278 [0,1,0,0,0,1|1,0,0]=3 31 B14R1.967 CCOC(=O)CC1=NC(C)=C(F)C=C1 P19419 [0,1,0,0,0,1|2,0,0]=4 32 B14R1.7265 CCOC(=O)C1=C(N)C(N)=C(F)C=C1 C13269 [0,2,0,0,0,0|1,0,0]=3 33 B14R1.7265 CCOC(=O)C1=CN=C(Cl)C(Cl)=C1Cl 85641 [0,2,0,0,0,0|2,0,0]=4 34 B14R1.18811 CCOC(=O)C1=C(C)N=C(Cl)C=C1C O11813 [0,2,0,0,0,0|2,0,0]=4 35 B14R1.18811 CCOC(=O)C1=C(C)NC(=O)C=C1C AT10264 [0,2,0,0,0,0|2,0,0]=4 36 B12R2.2302 BrC1=CC=C([C@@H]2CCO2)C=C1 AT23935 [1,0,0,1,0,0|1,0,1]=4 37 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [1,0,0,1,0,0|1,0,1]=4 38 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [1,0,0,1,0,0|1,0,0]=3 39 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 AT19618 [1,0,0,1,0,0|1,0,1]=4 40 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 P18085 [1,0,0,1,0,0|1,0,1]=4 42 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.202 O=C1OCCC2=C1SC(Br)=C2 W18182 [0,0,0,1,1,0|2,0,0]=4 45 B14R2.8719 O=C1NCCCC2=C1C=CC(Br)=C2 51222 [0,1,0,1,0,0|2,0,0]=4 46 B14R2.938 NC1=CC=C(S(=O)(=O)C2CC2)C=C1 52459 [0,1,0,1,0,0|2,0,0]=4 47 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Cl)C=C2 84390 [0,1,0,1,0,0|2,0,0]=4 48 B14R2.1812 COC1=CC2=C(C=C1)C(=O)C[C@@H]2C Y13797 [0,1,0,1,0,0|2,0,0]=4 49 B14R2.8038 CC1=CC=C2C(=O)CCCC2=C1Br N10661 [0,1,0,1,0,0|2,0,0]=4 50 B14R2.28472 CC1=C(Br)C=C2C(=O)NCCC2=C1 Y14758 [0,1,0,1,0,0|2,0,0]=4 51 B14R2.28472 O=C1CCCC2=C1C=C(O)C(O)=C2 Y14183 [0,1,0,1,0,0|2,0,0]=4 52 B14R2.28472 O=C1CCCC2=CC(F)=C(O)C=C12 Y14125 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.9203 O=C(C1=C(F)C=C(F)C=C1)C2CC2 Y13653 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.14 COC(=O)C1=NC=C(N)S1 P13279 [1,0,0,0,1,0|2,0,0]=4 55 B12R1.32 CCOC(=O)CC1=NN=CC=C1 P11834 [1,0,0,0,0,1|2,0,0]=4 56 B12R1.32 CCOC(=O)NC1=NC=CC=C1 D96330 [1,0,0,0,0,1|1,0,0]=3 57 B14R1.502 CCOC(=O)CCC1=CN=C(F)C=C1 79500 [0,0,0,0,0,2|2,0,0]=4