0 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.5 CC[C@H](N)C1=CN=C(OC)C=C1 D96415 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 C75626 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 55104 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 Y13931 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.22 COC(=O)C1=NC=C(N)C=N1 82661 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13687 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y13688 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.95 CC[C@H](N)C1=C(O)C=C(OC)C=C1 Y14528 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.95 COC(=O)C1=C(N)N=C(OC)C=C1 F53788 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y13618 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.139 CCOC1=CC=C([C@H](C)NC)C=C1 Y14156 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.537 COC(=O)C1=CN=C([C@H](C)N)C=C1 Y14865 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.537 COC(=O)C1=NC=C(B(O)O)C=C1 69545 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.3088 C#CC1=C(F)C=C(C(=O)OC)C=C1 C72769 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y13751 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y13801 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.3088 CC[C@H](N)C1=CC(O)=C(OC)C=C1 Y14319 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14788 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.2130 COC1=CC2=C(C=C1)[C@@H](N)CC2 Y14789 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)NC2 83784 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 C72657 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.2130 O=C1NCC2=C1C=CC(CO)=C2 F17814 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.44 CCC1=CNC(C(=O)OC)=C1 C15752 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.44 COC(=O)C1=CC(CO)=CN1 D72120 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.44 COC(=O)C1=CC=C(C#N)N1 C77228 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C73585 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.48 COC1=C(Cl)C=C([C@H](C)N)C=C1 Y14818 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20151 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.452 C#CC1=CC(Cl)=C(C(=O)O)C=C1 C74066 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.452 C#CC1=CC(F)=C(C(=O)O)C=C1 C76347 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.452 CC1=C(C(=O)O)C=CC(C=O)=C1 79034 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y12288 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13671 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13674 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13965 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 Y13791 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=N1 W11515 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 O11922 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.367 COC(=O)C1=CC=C(N)C(I)=N1 52591 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.367 COC(=O)C1=CN=C(C)C(Cl)=N1 W15307 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 C76222 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=N1 D79779 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.1703 COC(=O)C1=C(Br)C=C(C)N=C1 AT25160 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=N1 BL010140 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=N1 79101 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.1703 COC(=O)C1=C(N)N=C(C)C=C1 D82960 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.1703 COC(=O)C1=CN=C(F)C=C1N D96958 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.1703 COC(=O)C1=NC=C(C)C=C1N D96703 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl C76776 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.1703 COC(=O)C1=NC=C(N)C=C1C P13246 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.71 COC1=CC=C(CCCCl)C=C1 D75832 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.2334 CCC1=CC(CC)=C(C(=O)OC)C=C1 W11606 [0,2,0,0,0,0|1,0,0]=3 65 B14R1.65 COC(=O)C1=CC=C(CCCN)C=C1 78996 [0,2,0,0,0,0|1,0,0]=3 66 B14R1.719 COC(=O)C1=CC=C(C(C)(C)O)C=C1 Y14706 [0,2,0,0,0,0|1,0,0]=3 67 B14R1.719 COC(=O)C1=NC=C(C(C)(C)C)C=C1 D85975 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.1864 CCC(=O)C1=CC(OC)=C(OC)C=C1 Y14672 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.1864 COC(=O)C1=NC(OC)=C(OC)C=C1 Y13491 [0,2,0,0,0,0|1,0,0]=3 70 B12R2.612 CC1=CC2=C(C=C1)C(=O)CO2 Y14103 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.612 O=C1CCC2=C1C=CC(O)=N2 79948 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 F17861 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCS2 Y13645 [0,1,0,1,0,0|1,0,0]=3 74 B14R2.36882 COC1=CC(Br)=C2C(=O)CCC2=C1 Y13937 [0,1,0,1,0,0|1,0,0]=3 75 B14R2.36882 COC1=CC(F)=C2C(=O)CCC2=C1 W16444 [0,1,0,1,0,0|1,0,0]=3 76 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCO2 D72144 [0,1,0,1,0,0|1,0,0]=3 77 B14R2.1812 COC1=CC2=C(C=C1)C(=O)C[C@@H]2C Y13797 [0,1,0,1,0,0|1,0,0]=3 78 B14R2.1416 COC1=C(Br)C=C2C(=O)NCC2=C1 D77138 [0,1,0,1,0,0|1,0,0]=3 79 B14R2.1416 COC1=C(Cl)C=C2C(=O)CCC2=C1 A10710 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.31 COC1=CNC(C(=O)O)=C1 AC8161 [1,0,0,0,1,0|1,0,0]=3 82 B10R1.14 COC(=O)C1=NC=C(C)N1 Y14700 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.49 COC(=O)CC1=NC=C(O)C=N1 72519 [1,0,0,0,0,1|2,0,0]=4 84 B12R1.435 COC(=O)C1=CC=NC(SC)=N1 D79892 [0,0,0,0,1,1|1,1,0]=4 85 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 C13965 [0,0,0,0,1,1|2,0,0]=4