0 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 D75637 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.5 C#CC1=NC=C(C(=O)OC)C=N1 P19249 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P12852 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P14737 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.5 COC(=O)C1=NN=C(C=O)C=C1 AT17791 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [1,0,0,0,0,0|2,1,0]=4 8 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.83 C#CCC1=CC=C(OC)C=C1 D75643 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.83 CNCC1=CC=C(SC)C=C1 D76957 [1,0,0,0,0,0|1,1,1]=4 12 B13R1.36 COC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15672 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.95 C=CC1=CC(Cl)=C(C(=O)OC)C=C1 D75600 [0,1,0,0,0,0|1,0,1]=3 14 B13R1.95 COC(=O)C1=C(C)C=C(CO)C=C1 79095 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=N1 D74866 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.95 COC(=O)C1=NC=C(C#N)C=C1C D80160 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.95 COC(=O)C1=NC=C(OC)N=C1Cl AT14362 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.139 CCOC1=NC=C(C(=O)OC)C=C1 21172 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.139 COC(=O)C1=CC=C(CCI)C=C1 D74745 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.139 [C-]#[N+]CC1=CC=C(C(=O)OC)C=C1 AC9492 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.3088 C#CC1=C(Br)C=C(C(=O)OC)C=C1 AT26860 [0,1,0,0,0,0|1,0,1]=3 22 B11R0.120 COC(=O)\C=C\C(=O)C(=O)OC D75969 [0,0,1,0,0,0|2,0,0]=3 23 B13R2.2130 COC1=CC2=C(C=C1)C(Br)=NN2 20298 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 P13621 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.44 C#CC1=CC=C(C(=O)OC)S1 AT16413 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.44 CCC1=CC=C(C(=O)OC)N1 D75267 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.44 CCN1C=NC(C(=O)OC)=C1 AT22471 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.44 COC(=O)C1=CC=C(CN)S1 AT24854 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.5 COC(=O)CC1=NC=C(OC)N=C1 AT23464 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.13 CC(=O)C1=NC=C(O)C=N1 AT23878 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.6 [2H]C([2H])(O)C1=CC=C(OC)C=C1 D98788 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.48 COC1=C(Br)C=C(B(O)O)C=C1 D71888 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 C74152 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.16 CCOC(=O)C1=NC=C(O)C=N1 AT23880 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.367 CCC(=O)C1=CC(Cl)=C(O)C=C1 AT26585 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 89605 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=N1 AT22218 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.288 C\C=C\C1=CC(O)=C(OC)C=C1 A11367 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.63 COC(=O)C1=CC(OC)=C(Br)S1 O11953 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.312 CCOC(=O)C1=CC=C(CC)N1 D75268 [0,1,0,0,1,0|2,0,0]=4 62 B12R1.359 COC(=O)C1=CC=C(C(C)C)N1 E70199 [0,1,0,0,1,0|2,0,0]=4 63 B14R1.7 COC(=O)[C@H](N)C1=CC=C(C#N)C=C1 56713 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.7 COC(=O)[C@H](N)C1=CC=C(C#N)C=C1 56721 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.3276 COC(=O)CC1=CC(Br)=C(OC)C=N1 AC3424 [0,1,0,0,0,1|1,0,0]=3 66 B14R1.2294 COC(=O)C1=C(F)C=C(C#N)C(N)=C1 D76825 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.2294 COC(=O)C1=CC(F)=C(OC)C=C1N D76401 [0,2,0,0,0,0|0,0,0]=2 68 B14R1.2316 COC(=O)C1=C(F)C(F)=C(CBr)C=C1 AT25156 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.7234 C=CC1=CC(Br)=C(C(=O)OCC)C=C1 D77020 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 F16972 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.718 COC(=O)C1=NC=C([C@@H](N)CO)C=C1 N14646 [0,2,0,0,0,0|2,0,0]=4 72 B14R1.719 COC(=O)C1=CN=C(C(C)(C)O)C=C1 AT15502 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.1864 COC(=O)C1=CC(C#N)=C(SC)C=C1 AT14387 [0,2,0,0,0,0|0,1,0]=3 74 B12R2.612 CC1=CC2=C(C=C1)B(O)OC2 D73935 [1,0,0,1,0,0|1,0,1]=4 75 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.1 COC1=CC=C(C2=CN=CO2)C=C1 O11293 [0,1,0,1,0,0|1,0,1]=4 77 B14R2.36882 COC1=CC(O)=C2C(=O)COC2=C1 AC5700 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.966 COC(=O)C1=CN=C2CCCC2=C1 F53744 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.966 COC(=O)C1=NC2=C(C=C1)CCC2 F53577 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.6412 O=CCC1=CC2=C(C=C1)C(=O)OC2 56634 [0,1,0,1,0,0|1,0,1]=4 81 B14R2.1812 COC1=CC2=C(C=C1)C(=O)CC2=O AC8776 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.31 COC1=CC(C(=O)O)=NN1 D77183 [1,0,0,0,1,0|2,0,0]=4 84 B10R1.31 COC1=NSC(C(=O)O)=C1 AT11833 [1,0,0,0,1,0|2,0,0]=4 85 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [1,0,0,0,1,0|1,0,0]=3 88 B12R1.435 CNC(=O)C1=NC=CC(NC)=C1 D76699 [0,0,0,0,1,1|2,0,0]=4 89 B12R1.435 COC(=O)C1=NN=CC(OC)=C1 F31234 [0,0,0,0,1,1|1,0,0]=3