0 B14R2.20 CC1=CC=C(C2=CSC(N)=N2)C=C1 86971 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 71539 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.20 NC1=CC(C2=CC=C(Cl)C=C2)=NO1 AR2447 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CS1 86950 [0,0,0,0,0,0|0,1,2]=3 4 B14R2.20 NC1=NC(C2=CC=C(F)C=C2)=CS1 86953 [0,0,0,0,0,0|0,2,2]=4 5 B14R2.20 NC1=NC(C2=CC=C(O)C=C2)=CS1 29705 [0,0,0,0,0,0|1,1,2]=4 6 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AR2465 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 S11474 [1,0,0,0,0,0|1,0,2]=4 8 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 84303 [1,0,0,0,0,0|0,1,2]=4 9 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 F17287 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 NC1=NSC(C2=CC=CC=C2)=N1 D95580 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 D92106 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [1,0,0,0,0,0|1,0,1]=3 14 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [1,0,0,0,0,0|1,0,1]=3 15 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [1,0,0,0,0,0|1,0,1]=3 16 B13R2.12 BrC1=CC=C(C2=CNC=N2)C=C1 AT14853 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.12 BrC1=CC=C(C2=NC=CN2)C=C1 29913 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.12 BrC1=CC=C(C2=NC=CS2)C=C1 C74406 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.12 BrC1=CC=C(C2=NCCC2)C=C1 AB8437 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.12 BrC1=CC=C(C2=NNC=N2)C=C1 27463 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.12 BrC1=CC=C(C2=NOC=C2)C=C1 37484 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.12 BrC1=CC=C(N2C=CC=N2)C=C1 F30993 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 54618 [1,0,0,0,0,0|1,0,2]=4 24 B15R2.2 CC1=NC(C2=CC=C(CBr)C=C2)=NO1 25167 [0,1,0,0,0,0|2,0,1]=4 25 B15R2.309 CC1=C(C2=CC=C(Br)C=C2)N=C(N)S1 91150 [0,1,0,0,0,0|0,1,2]=4 26 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 36030 [0,0,1,0,0,0|2,0,0]=3 27 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 AB7500 [0,0,1,0,0,0|2,1,0]=4 28 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 AB7531 [0,0,1,0,0,0|2,1,0]=4 29 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 N12285 [0,0,1,0,0,0|2,1,0]=4 30 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 35778 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 AC8692 [0,0,1,0,0,0|2,0,1]=4 32 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 F14966 [0,0,1,0,0,0|2,0,1]=4 33 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 56505 [0,0,1,0,0,0|3,0,0]=4 34 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 F13641 [0,0,1,0,0,0|3,0,0]=4 35 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 32390 [0,0,0,0,1,0|2,0,0]=3 36 B15R2.28 NC1=NC=CC(C2=CC=C(Br)C=C2)=N1 31198 [0,0,0,0,0,1|1,0,2]=4 37 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 56001 [0,0,0,0,0,1|2,0,1]=4 38 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 C78568 [1,0,1,0,0,0|1,0,1]=4 39 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AB3203 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [1,0,1,0,0,0|2,0,0]=4 42 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 N12080 [0,1,1,0,0,0|2,0,0]=4 43 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 AB3728 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 85543 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AB3932 [0,0,1,0,1,0|1,0,0]=3 46 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 76662 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 76653 [0,0,1,0,1,0|1,1,0]=4 48 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 AB7526 [0,0,1,0,1,0|1,1,0]=4 49 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 AC6509 [0,0,1,0,1,0|1,1,0]=4 50 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 50001 [0,0,1,0,1,0|2,0,0]=4 51 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 AB7450 [0,0,1,0,1,0|2,0,0]=4 52 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 35758 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O 91125 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 F19228 [0,0,1,0,1,0|2,0,0]=4 55 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 11021 [0,0,1,0,1,0|1,1,0]=4 56 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 24605 [0,0,1,0,1,0|1,1,0]=4 57 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 F17592 [0,0,1,0,1,0|2,0,0]=4 58 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 23737 [0,0,1,0,1,0|2,0,0]=4 59 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10975 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 C10958 [0,0,1,0,1,0|2,0,0]=4 61 B12R2.22 NC1CC(C2=CC=CC=C2)C1 75898 [1,0,0,0,1,0|1,0,1]=4 62 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 75897 [1,0,0,0,1,0|2,0,0]=4 63 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31087 [0,0,0,0,2,0|0,0,1]=3 64 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [1,0,0,0,0,1|2,0,0]=4 65 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [1,0,0,0,0,1|1,0,1]=4 66 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [1,0,0,0,0,1|1,0,1]=4 67 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 20399 [1,0,0,0,0,1|1,0,1]=4 68 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F50348 [1,0,0,0,0,1|1,0,1]=4 69 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F52521 [1,0,0,0,0,1|1,0,1]=4