0 B14R2.28472 CC1=CC2=CC=CC(C)=C2N=C1Cl OR307903 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.28472 CC1=CC2=CC=CC(C)=C2N=C1N OR307518 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.28472 CC1=NC=CC2=NC(O)=C(I)C=C12 OR303091 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.28472 ClC1=NC2=C(Br)C=CC=C2C=C1I OR8710 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.162 CC1=CC2=C(C=CC=C2C)C=C1 OR3959 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.162 CC1=CC=C2C=CC=C(Br)C2=C1 OR55098 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 CC1=CC=C2C=CC=C(S)C2=N1 OR52643 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 OR470553 [1,0,0,0,0,0|0,0,2]=3 8 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 OR307890 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 OR27930 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.162 FC1=CC=CC2=C1N=C(Cl)C=C2 PC520725 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.162 NC1=NC2=C(F)C=CC=C2C=C1 PC201122 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.162 O=C1CCC2=C(N1)C(Br)=CC=C2 OR450045 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.162 O=C1CCC2=C(N1)C(Cl)=CC=C2 OR450049 [1,0,0,0,0,0|1,0,2]=4 14 B13R2.162 O=C1CCC2=C(N1)C(F)=CC=C2 PC250018 [1,0,0,0,0,0|1,0,2]=4 15 B13R2.369 BrC1=CC2=C(C=CC=C2)C=C1Br OR302155 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.369 CC1=CC2=CC=CC=C2N=C1N OR309451 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O OR300638 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.369 CC1=NC2=CC=CC=C2C=C1N OR309366 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 CC1SC2=C(C=CC=C2)NC1=O OR110446 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 NC1=CC2=CC=CC=C2OC1=O OR6156 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.369 O=C1NC2=C(C=NC=C2)NC1=O OR54537 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl OR345156 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.369 OC1=NC2=CC=CC=C2N=C1O OR30493 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 OR310786 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.5179 CC1=NC=CC2=C1C=CC(Br)=C2 OR43680 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 PC407025 [1,0,0,0,0,0|2,0,1]=4 27 B13R2.5179 FC1=CC2=CC=CC(Br)=C2N=C1 PC201317 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.5179 NC1=CC2=CC=CC(F)=C2N=C1 PC49034 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.5179 NC1=CC=CC2=C1N=CC(Cl)=C2 OR310905 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.5179 NC1=CC=CC2=C1N=CC(I)=C2 OR303092 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.5179 OC1=CC=C2C(O)=CC=NC2=C1 OR302275 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.5179 OC1=NC2=CC=CC(Br)=C2C=C1 OR302486 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.2039 CC1=C2N=C(Cl)C(C#N)=CC2=CC=C1 OR307833 [0,1,0,0,0,0|2,0,1]=4 34 B15R2.2039 CC1=C2N=C(Cl)C(C=O)=CC2=CC=C1 OR309277 [0,1,0,0,0,0|1,0,2]=4 35 B15R2.2039 CC1=C2N=C(Cl)C(CO)=CC2=CC=C1 OR309268 [0,1,0,0,0,0|1,0,1]=3 36 B15R2.13612 CC1=NC2=C(C)C=CC=C2C(O)=C1Br OR309372 [0,1,0,0,0,0|2,0,1]=4 37 B15R2.59733 CC1=CC(=O)OC2=CC(O)=C(O)C=C12 OR345106 [0,1,0,0,0,0|2,0,1]=4 38 B15R2.63633 CC1=CC2=C(N=C1Cl)C(C)=CC=C2F PC1864X [0,1,0,0,0,0|2,0,1]=4 39 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CCl OR29215 [0,0,1,0,0,0|1,0,2]=4 40 B13R2.4825 CC1=C(C)C2=C(N1)C(N)=CC=C2 OR52532 [0,0,0,0,1,0|3,0,0]=4 41 B13R2.4825 CN1C(=O)NC2=C(Br)C=CC=C21 OR311049 [0,0,0,0,1,0|3,0,0]=4 42 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O PC0328 [0,0,0,0,1,0|1,0,1]=3 43 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O OR471280 [0,0,0,0,1,0|1,0,1]=3 44 B13R2.4856 O=C1NC2=C(C1=O)C(I)=CC=C2 OR471590 [0,0,0,0,1,0|2,0,1]=4 45 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O PC201235 [0,0,0,0,1,0|2,0,1]=4 46 B12R1.224 CC1=CC=CC(CC(=O)O)=C1F PC9910 [1,0,1,0,0,0|1,0,1]=4 47 B12R1.371 CCC(=O)NC1=CC=CC=C1C OR111521 [1,0,1,0,0,0|0,0,2]=4 48 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC3729 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 PC8812 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 OR300762 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 OR350254 [1,0,1,0,0,0|1,0,0]=3 52 B12R1.226 O=C(O)C=CC1=CC(F)=CC=C1 PC3731 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O OR350264 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.1009 CC1=C(CC(=O)O)C(F)=CC=C1 PC501113 [1,0,1,0,0,0|2,0,0]=4 55 B12R2.24 FC1=CC2=CC=CC=C2C=C1 PC2378 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 O=C1COC2=C(C=CC=C2)N1 OR322066 [2,0,0,0,0,0|1,0,1]=4 57 B12R2.1081 CC1=CN=CC2=CC=CC=C12 OR300045 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 PC3205 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 PC3830 [2,0,0,0,0,0|2,0,0]=4 60 B14R2.142 O=CC1=CC2=C(C=CC=C2Br)C=C1 OR314074 [1,1,0,0,0,0|2,0,0]=4 61 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 OR322386 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.4513 CC1=CC=C2C=CC(Br)=C(C)C2=N1 OR309320 [1,1,0,0,0,0|1,0,1]=4 63 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 OR345097 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.8045 CC1=C2NC(=O)NC(=O)C2=CC=C1 OR323138 [1,1,0,0,0,0|1,0,0]=3 65 B14R2.8045 CC1=CC(C)=NC2=C(C)C=CC=C12 OR309465 [1,1,0,0,0,0|1,0,1]=4 66 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(Cl)=C1 OR307821 [1,1,0,0,0,0|1,0,1]=4 67 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(N)=C1 OR307859 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(O)=C1 OR307842 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.8045 O=C1NC2=C(F)C=CC=C2C(=O)O1 PC8703 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.8751 CC1=NC2=C(C)C=CC(Cl)=C2C=C1 OR307991 [1,1,0,0,0,0|1,0,1]=4 71 B14R2.11684 COC1=CC=CC2=C1NC(=O)CC2 OR450051 [1,1,0,0,0,0|0,0,2]=4 72 B14R2.1128 CCC1=NC2=C(C=CC=C2)NC1=O OR25840 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.1128 N#CC1=C(O)C=C2C=CC=CC2=C1 OR471069 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O OR345027 [1,1,0,0,0,0|2,0,0]=4 75 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl OR309269 [1,1,0,0,0,0|1,0,1]=4 76 B14R2.8038 CC1=C2N=CC(Br)=C(Cl)C2=CC=C1 OR309330 [1,1,0,0,0,0|1,0,1]=4 77 B14R2.4220 O=C1NC2=C(C=CC=C2F)\C1=N\O PC3583 [0,1,0,0,1,0|1,0,0]=3 78 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O PC408007 [0,1,0,0,1,0|1,0,1]=4 79 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(Br)=C1 OR471591 [0,1,0,0,1,0|1,0,1]=4 80 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 OR322609 [0,1,0,0,1,0|0,0,1]=3 81 B16R2.189529 CCC1=C2N=C(Cl)C(CO)=CC2=CC=C1 OR309267 [0,2,0,0,0,0|1,0,1]=4 82 B16R2.189529 COC1=C2OC(=O)C(C#N)=CC2=CC=C1 OR351033 [0,2,0,0,0,0|2,0,0]=4 83 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Br)=C2)O1 OR110915 [0,0,1,1,0,0|2,0,0]=4 84 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 OR110910 [0,0,1,1,0,0|2,0,0]=4 85 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 OR110952 [0,0,1,1,0,0|2,0,0]=4 86 B14R2.7969 NC(=O)C1=CC2=C(S1)C(Br)=CC=C2 OR111179 [0,0,1,1,0,0|1,1,0]=4 87 B12R2.202 CC1=C2NC(O)=NC2=CC=C1 OR323101 [1,0,0,0,1,0|1,0,1]=4 88 B12R2.202 CC1=CC2=C(N1)C(C)=CC=C2 OR301289 [1,0,0,0,1,0|1,0,0]=3 89 B12R2.202 CC1=CC=CC2=C1NC(=O)O2 OR200061 [1,0,0,0,1,0|1,0,0]=3 90 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 PC1738 [1,0,0,0,1,0|1,0,1]=4 91 B12R2.202 O=C1NC2=C(C=CC=C2Cl)O1 OR400445 [1,0,0,0,1,0|2,0,0]=4 92 B12R2.202 O=C1NC2=C(F)C=CC=C2O1 PC52116 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 OR315745 [1,0,0,0,1,0|1,0,1]=4 94 B12R2.196 BrC1=CC=CC2=C1NC=C2I OR305203 [1,0,0,0,1,0|2,0,0]=4 95 B12R2.196 CC1=CC=CC2=C1NNC2=O OR305499 [1,0,0,0,1,0|1,0,1]=4