0 B13R1.17 NCCNC(=O)C1=CC=C(Cl)C=N1 HY-14201 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 AC510776 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934 [1,0,0,0,0,0|0,0,0]=1 4 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AC180609 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 AC180649 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 AC190094 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 AC181794 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.16 CCOC(=O)C1=NC=C(Br)C=N1 AC182710 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.16 CCOC(=O)C1=NC=C(Cl)N=C1 LN00337568 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 AC182513 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [1,0,0,0,0,0|1,0,2]=4 12 B12R1.16 ClC1=CC=C(C=C1)C(=O)CC#N AC021404 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.16 FC1=CC=C(C=C1)C(=O)CC#N AC020087 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 HY-B1430 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 HY-B1431 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.125 CC1=CC=C(C=C1)S(=O)(=O)OCCF AC511259 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.678 OC(=O)CCC(=O)C1=CC=C(O)C=C1 AC050966 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.68 OC1=CC=C(C=C1)C2CCCCC2 AC180403 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.8719 BrC1=CC=C2C(OCCCC2=O)=C1 AC040036 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.28 BrCCOCC1=CC=CC=C1 AC500208 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.28 C1=CC=C(C=C1)COCCBr LN00010106 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.28 C1=CC=C(C=C1)COCCN LN02222953 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.28 NCCOCC1=CC=CC=C1 AC181970 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.28 OCCOCC1=CC=CC=C1 AC511762 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.16 CCOC(=O)C1=CC=CC=N1 LN00174068 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.16 CCOC(=O)C1=CC=NC=N1 AC182470 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.16 ClCOC(=O)C1=CC=CC=C1 AC511140 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.16 O=C(CC#N)C1=CC=CC=C1 AC500022 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.22 C1=C(C=CC(=C1)Br)C(=O)CN LN00146620 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr AC500028 [2,0,0,0,0,0|2,0,0]=4 31 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br LN00225179 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.22 COC(=O)C1=CC=C(Br)C=N1 AC181779 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.22 COC(=O)C1=CC=C(Br)N=C1 AC181863 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.22 COC(=O)C1=CC=C(C)C=C1 AC021180 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.22 COC(=O)C1=CC=C(Cl)N=C1 AC190192 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.22 COC(=O)C1=CC=C(F)N=C1 AC510655 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.22 COC(=O)C1=CC=C(I)C=C1 AC130758 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.22 COC(=O)C1=CC=C(N)C=C1 AC500030 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.22 COC(=O)C1=CC=C(O)C=C1 AC190171 [2,0,0,0,0,0|0,0,0]=2 40 B11R1.22 COC(=O)C1=CN=C(C)C=C1 AC021708 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.22 COC(=O)C1=CN=C(N)C=C1 AC181104 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 AC512123 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.22 COC(=O)C1=NC=C(N)C=C1 AC160157 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.22 FC1=CC=C(C=C1)C(=O)CBr AC510754 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 AC512178 [2,0,0,0,0,0|2,0,0]=4 46 B13R1.21 CCC(C(=O)C1=CC=C(C=C1)Cl)Br LN01361649 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#C AC100003 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N AC180026 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 AC170040 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.452 CCOC(=O)C1=NC=C(N=C1)OC LN00337529 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.466 CCOC(=O)C1=CC(O)=C(O)C=C1 AC511412 [1,1,0,0,0,0|0,0,0]=2 52 B13R1.466 CCOC(=O)C1=CC=C(N)C(Br)=C1 AC200117 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.466 CCOC(=O)C1=CN=C(Cl)C(Cl)=C1 AC030198 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HY-B1308 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.1511 CCOC(=O)C1=C(C)N=C(F)C=C1 AC210026 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(Cl)N=C1 AC180946 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.1511 CCOC(=O)C1=C(N)C=C(Cl)N=C1 AC040074 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 AC181133 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.122 C1=CC=C(C=C1)S(=O)(=O)OCCO LN01277743 [1,1,0,0,0,0|2,0,0]=4 60 B15R1.979 CCC(C)OS(=O)(=O)C1=CC=C(C)C=C1 AC030209 [0,2,0,0,0,0|2,0,0]=4 61 B15R1.30 CCCCNNC(=O)C1=CC=C(Br)C=C1 HY-18976 [0,2,0,0,0,0|2,0,0]=4 62 B13R2.5179 BrC1=CC2=C(C=C1)C(=O)CCO2 AC182446 [1,0,0,1,0,0|2,0,0]=4 63 B13R2.5179 BrC1=CC2=C(C=C1)C(=O)NCC2 AC051169 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.5179 C1CC2=CC(=CC=C2C(=O)C1)Br LN00173644 [1,0,0,1,0,0|1,0,0]=3 65 B13R2.5179 C1CC2=CC(=CC=C2C(=O)C1)I LN01871805 [1,0,0,1,0,0|1,0,0]=3 66 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 AC220100 [1,0,0,1,0,0|1,0,0]=3 67 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 LN02026818 [1,0,0,1,0,0|1,0,0]=3 68 B13R2.5179 ClC1=CC2=C(C=C1)C(=O)CCC2 AC220099 [1,0,0,1,0,0|1,0,0]=3 69 B13R2.5179 ClC1=CC2=C(C=C1)C(=O)CCO2 AC310105 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.5179 ClC1=CC=C2C(=O)NCCC2=C1 AC181817 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.5179 FC1=CC2=C(C=C1)C(=O)CCC2 AC220114 [1,0,0,1,0,0|1,0,0]=3 72 B13R2.5179 FC1=CC=C2C(=O)CCOC2=C1 AC511848 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.5179 O=C1NC2=C(C=C1)C(=O)CCC2 AC511289 [1,0,0,1,0,0|1,0,1]=4 74 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 AC220095 [1,0,0,1,0,0|1,0,0]=3 75 B13R2.5252 O=C1CCCNC2=CC=CC=C12 AC181659 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.5252 O=C1CCNCC2=CC=CC=C12 AC010008 [1,0,0,1,0,0|2,0,0]=4 77 B15R2.29 OC1=CC=C(OC2CCCCO2)C=C1 HY-B1461 [0,0,0,1,0,1|1,0,1]=4 78 B15R2.308 FC1=CC=C(C=C1)C2CCCCC2=O AC020664 [0,0,0,1,0,1|2,0,0]=4 79 B15R2.22338 COC1=CC=C2C(CNCCC2=O)=C1 AC010027 [0,1,0,1,0,0|2,0,0]=4 80 B15R2.7543 FC1=C(C=CC(Br)=C1)C(=O)NC2CC2 AC040035 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.15 CCOC(=O)C1=CC=C(Br)S1 AC181496 [1,0,0,0,1,0|2,0,0]=4 82 B11R1.15 CCOC(=O)C1=CC=C(C)N1 AC181161 [1,0,0,0,1,0|2,0,0]=4