0 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B050800 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.435 CC(N)C1=CC2=CC=CC=C2O1 B050376 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.435 FC(F)C1=NC2=C(C=CC=C2)N1 B037542 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 B006869 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B030509 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 B001269 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.435 O=C(O)C1=NN2C=CC=NC2=N1 B001275 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,0,0,0,0,0|1,0,2]=3 8 B12R2.32 ClCC1=NC2=CC=CC=C2N1 B036351 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 B038617 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.32 NCC1=NC2=CC=CC=C2N1 B036389 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.32 O=CC1=NC2=CC=CC=C2S1 B059742 [1,0,0,0,0,0|1,0,1]=3 12 B12R2.32 OCC1=NC2=CC=CC=C2N1 B036344 [1,0,0,0,0,0|1,0,1]=3 13 B14R2.450 NC(=O)C1=C(N)C2=C(C=CC=C2)O1 B050414 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.450 O=C(O)C1=C(F)N2C=CC=CC2=N1 B049852 [0,1,0,0,0,0|1,0,1]=3 15 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Br B001271 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.450 O=C(O)C1=NN2C=CC=NC2=C1Cl B001270 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.972 COC(=N)C1=NC2=CC=CC=C2O1 B039579 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.972 COC(=O)C1=CN2C=CC=NC2=N1 B039658 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 B020796 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.972 OC(CCl)C1=NC2=C(C=CC=C2)N1 B048709 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.3129 O=S(=O)(Cl)C1=CC2=C(C=CC=C2)S1 B059671 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.4529 CC(=O)C1=NC2=CC=C(Cl)C=C2N1 B039526 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.4529 CC(O)C1=NC2=CC(Br)=CC=C2N1 B039466 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.4529 CC1=CC=C2NC(C(C)O)=NC2=C1 B039659 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.4529 CC1=CN2N=C(C(=O)O)C=C2N=C1 B044502 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.4529 CC1=NC2=CC(C(=O)O)=NN2C=C1 B060413 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B050293 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 B039277 [0,1,0,0,0,0|0,0,0]=1 29 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 B049120 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 B038513 [0,1,0,0,0,0|1,0,1]=3 31 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 B039408 [0,1,0,0,0,0|1,0,0]=2 32 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=NC2=C1 B036179 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.7969 CC1=C2N=C(C(C)O)NC2=CC=C1 B039663 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.7969 CC1=CC=NC2=CC(C(=O)O)=NN12 B060411 [0,1,0,0,0,0|2,0,1]=4 35 B14R2.7969 NC1=CC=NC2=CC(C(=O)O)=NN12 B062236 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,0,1,0,0,0|0,0,2]=3 38 B14R2.768 NC(=O)CC1=NC2=C(C=CC=C2)N1 B049324 [0,0,0,0,0,1|2,0,0]=3 39 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 B017726 [0,0,0,0,0,1|0,0,2]=3 40 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [1,0,1,0,0,0|0,0,1]=3 41 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O B005809 [0,1,1,0,0,0|1,0,1]=4 43 B13R2.43 CC1=CC=C2NC(CO)=NC2=C1 B036346 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.43 OCC1=NC2=CC(Br)=CC=C2N1 B039465 [1,1,0,0,0,0|1,0,1]=4 45 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 B029492 [1,1,0,0,0,0|1,0,0]=3 46 B13R2.45 CN1C2=CC=CC=C2N=C1CO B039671 [1,1,0,0,0,0|1,0,1]=4 47 B15R2.984 NC(=O)C1=CC2=C(C=CC=C2)N=C1N B048954 [0,1,0,0,0,1|1,0,1]=4 48 B15R2.1601 COC(=O)C1CC2=C(C=CC=C2)CN1 B037159 [0,1,0,0,0,1|0,0,2]=4 49 B15R2.4190 O=CC1=C(C(=O)O)NC2=CC=CC=C21 B049732 [0,2,0,0,0,0|0,0,0]=2 50 B15R2.13463 CC1=C(C(=O)O)NC2=C1C=CC=C2Cl B050750 [0,2,0,0,0,0|0,0,0]=2 51 B15R2.14758 O=C(Cl)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 B001514 [0,2,0,0,0,0|2,0,0]=4 52 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 B006870 [0,2,0,0,0,0|1,0,1]=4 53 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 B038467 [0,2,0,0,0,0|1,0,1]=4 54 B15R2.1590 COC(=O)C1=CC2=C(C=CC(F)=C2)N1 B049635 [0,2,0,0,0,0|0,0,0]=2 55 B15R2.1598 COC(=O)C1=CC2=C(Cl)C=CC=C2N1 B049817 [0,2,0,0,0,0|0,0,0]=2 56 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 B049886 [0,2,0,0,0,0|1,0,0]=3 57 B15R2.20824 COC1=C2C=C(C(=O)O)NC2=CC=C1 B049667 [0,2,0,0,0,0|0,0,0]=2 58 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,0,1,0,1,0|2,0,0]=4 59 B13R2.57 C(=O)C1=NC2=CC=CC=C2C=C1 B046312 [1,0,0,0,0,1|0,0,1]=3 60 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 B035681 [1,0,0,0,0,1|2,0,0]=4 61 B13R2.57 O=CC1=NC2=C(C=CC=C2)N=C1 B000386 [1,0,0,0,0,1|0,0,1]=3 62 B13R2.57 OCC1=CC2=C(C=CC=C2)N=C1 B037016 [1,0,0,0,0,1|0,0,2]=4 63 B15R2.1660 O=C(O)CCC1=NC2=C(C=CC=C2)N1 B049363 [0,0,0,0,0,2|1,0,0]=3 64 B15R2.1660 O=C(O)CSC1=NC2=CC=CC=C2O1 B039598 [0,0,0,0,0,2|1,0,1]=4