0 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 P39821 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 P39820 [0,0,0,0,0,0|0,1,2]=3 2 B14R2.20 NC1=NC=C(C2=CC=C(Br)C=C2)N1 P37143 [0,0,0,0,0,0|1,0,3]=4 3 B14R2.20 O=C1CC(C2=CC=C(O)C=C2)CN1 L19829 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [1,0,0,0,0,0|0,0,2]=3 5 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 P39998 [1,0,0,0,0,0|0,1,2]=4 6 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 O34051 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 Q54186 [1,0,0,0,0,0|1,1,1]=4 9 B13R2.12 BrC1=CC=C(C2=COC=N2)C=C1 O32395 [1,0,0,0,0,0|0,0,2]=3 10 B13R2.12 BrC1=CC=C(C2=NOC=C2)C=C1 C-2423 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.12 BrC1=CC=C(C2CCCC2)C=C1 N26374 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 O28918 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.12 BrC1=CC=C(C2CCNC2)C=C1 P42400 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,0,1,0,0,0|2,1,0]=4 16 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,0,1,0,0,0|2,1,0]=4 17 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 O28809 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 O28606 [0,0,1,0,0,0|3,0,0]=4 21 B13R2.147 CC1=CC=C(C2CC(=O)N2)C=C1 P39794 [0,0,0,0,1,0|2,0,1]=4 22 B13R2.147 FC1CC(C2=CC=C(Br)C=C2)C1 P43353 [0,0,0,0,1,0|2,0,1]=4 23 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,0,0,0,1,0|2,0,0]=3 24 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 L20848 [0,0,0,0,1,0|1,0,1]=3 25 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 P39793 [0,0,0,0,1,0|1,1,1]=4 26 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 P35036 [0,0,0,0,1,0|1,1,1]=4 27 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)=NN1 P38510 [0,0,0,0,0,1|2,0,1]=4 28 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 O30228 [0,0,0,0,0,1|3,0,0]=4 29 B15R2.28 NC1=NC=CC(C2=CC=C(Br)C=C2)=N1 P38350 [0,0,0,0,0,1|1,0,2]=4 30 B12R1.1 NCCCCC1=CC=C(Br)C=C1 P42241 [1,0,1,0,0,0|1,0,1]=4 31 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [1,0,1,0,0,0|1,0,1]=4 32 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,0,1,0,0,0|1,0,1]=4 34 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 M23296 [0,1,1,0,0,0|2,0,0]=4 35 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 P34742 [0,1,1,0,0,0|2,0,0]=4 36 B14R2.4398 NC1(C2=CC=C(Br)C=C2)CCOC1 L14636 [1,1,0,0,0,0|1,0,1]=4 37 B14R2.134 COC1=CC2=C(C=CC(Br)=C2)C=N1 O29932 [0,0,1,1,0,0|1,0,1]=4 38 B14R2.4402 O=C(O)C1CC1C2=CC=C(Br)C=C2 O34336 [0,0,1,1,0,0|2,0,0]=4 39 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [0,0,1,0,1,0|2,0,0]=4 40 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 Q53249 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 I-9270 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 P34974 [0,0,1,0,1,0|1,1,0]=4 44 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 P36216 [0,0,1,0,1,0|1,1,0]=4 45 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 P51478 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.20 CC1=CC=C([C@H](C)C(=O)O)C=C1 P51479 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 P36483 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 P42008 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 M22620 [0,0,1,0,1,0|2,0,0]=4 51 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [1,0,0,0,1,0|1,0,1]=4 52 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [1,0,0,0,1,0|1,0,1]=4 53 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [1,0,0,0,1,0|1,0,1]=4 54 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [1,0,0,0,1,0|2,0,0]=4 55 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [1,0,0,0,1,0|1,0,1]=4 56 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [1,0,0,0,1,0|2,0,0]=4 57 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 N25053 [1,0,0,0,1,0|1,0,1]=4 58 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 P44403 [1,0,0,0,1,0|1,0,1]=4 59 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 G-7440 [1,0,0,0,1,0|0,0,1]=3 60 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [0,0,0,0,2,0|1,0,1]=4 61 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 O34315 [0,0,0,0,2,0|0,0,1]=3 62 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 Q69959 [0,0,0,0,2,0|0,0,1]=3 63 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 Q69961 [0,0,0,0,2,0|0,1,1]=4 64 B12R2.79 NC1CC1C2=CC=C(F)C=C2 O34585 [0,0,0,0,2,0|0,1,1]=4 65 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 O34571 [0,0,0,0,2,0|0,1,1]=4 66 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 O34573 [0,0,0,0,2,0|0,1,1]=4 67 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [0,0,0,0,2,0|1,0,1]=4 68 B12R2.79 N[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 L14757 [0,0,0,0,2,0|1,0,1]=4 69 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [1,0,0,0,0,1|2,0,0]=4 70 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 O34390 [1,0,0,0,0,1|1,0,1]=4