0 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 21848 [1,0,0,0,0,0|2,0,1]=4 1 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 5878 [1,0,0,0,0,0|1,0,1]=3 2 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 5852 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 24684 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=C1 16930 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 23770 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.162 NC1=NC2=C(Br)C=CC=C2C=C1 27726 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 O=C1C=CC2=CC=CC(Br)=C2N1 27901 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.162 O=C1COC2=C(N1)C(F)=CC=C2 27628 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [1,0,0,0,0,0|1,0,2]=4 11 B13R2.369 CC1=C(O)C=C2C=CC=NC2=C1 34451 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl 12431 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 CC1=NC2=CC=CC=C2N=C1O 15424 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br 35526 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 NC1=CC2=CC=CC=C2C=C1N 15532 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.369 NC1CC2=CC=CC=C2NC1=O 17875 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.369 OC1=NC2=CC=CC=C2N=C1O 25656 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 27663 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 34782 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 35230 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.5179 OC1=CC2=NC=CC(Cl)=C2N=C1 34626 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.2039 CC1=C2N=C(Cl)C(C=O)=CC2=CC=C1 24682 [0,1,0,0,0,0|1,0,2]=4 25 B15R2.63633 CC1=CC2=C(F)C=CC(C)=C2N=C1Cl 5943 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CCl 14912 [0,0,1,0,0,0|1,0,2]=4 27 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,0,0,0,1,0|1,0,1]=3 28 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,0,0,0,1,0|1,0,1]=3 29 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,0,0,0,1,0|1,0,1]=3 30 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,0,0,0,1,0|1,0,1]=3 31 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [0,0,0,0,1,0|2,0,1]=4 32 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [0,0,0,0,1,0|2,0,1]=4 33 B12R1.224 CC1=CC=CC(CC(=O)O)=C1Br 31485 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.224 CC1=CC=CC(CC(=O)O)=C1C 2466 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.1009 CC1=CC=CC(C)=C1CC(=O)O 31501 [1,0,1,0,0,0|1,0,1]=4 43 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [2,0,0,0,0,0|1,0,1]=4 46 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [2,0,0,0,0,0|1,0,1]=4 53 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [2,0,0,0,0,0|1,0,1]=4 55 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 O=C1C=CC2=CC=NC=C2N1 25763 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 O=C1C=CC2=CN=CC=C2N1 27583 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [2,0,0,0,0,0|0,0,1]=3 61 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [2,0,0,0,0,0|1,1,0]=4 67 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 5816 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.1081 Brc1cccc2ccccc12 36195 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 5806 [2,0,0,0,0,0|0,0,1]=3 70 B12R2.1081 CC1=NC=CC2=CC=CC=C21 17034 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 10742 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 7574 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 17430 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 SC1=C2N=CC=CC2=CC=C1 5830 [2,0,0,0,0,0|1,0,1]=4 80 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 13303 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 34483 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O 8675 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.1073 COC1=CC=CC2=C1OCC(O)=C2 9570 [1,1,0,0,0,0|1,0,1]=4 84 B14R2.1801 COC1=CC=C2C(=C1)C=CC=[N+]2C 26047 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.28480 CC1=CC(O)=NC2=CC=CC(C)=C12 35043 [1,1,0,0,0,0|2,0,0]=4 86 B14R2.8620 CC1=C2C(=O)C(=O)NC2=C(F)C=C1 29126 [0,1,0,0,1,0|1,0,1]=4 87 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Br)C=C1 13603 [0,1,0,0,1,0|0,0,1]=3 88 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Cl)C=C1 29243 [0,1,0,0,1,0|0,0,1]=3 89 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 29121 [0,1,0,0,1,0|0,0,1]=3 90 B14R2.8620 O=C1NC2=C(Br)C=CC(F)=C2C1=O 20357 [0,1,0,0,1,0|1,0,1]=4 91 B14R2.8620 O=C1NC2=C(F)C=CC(F)=C2C1=O 15260 [0,1,0,0,1,0|1,0,1]=4 92 B14R2.8737 CC1=C2NC(=O)C(=O)C2=CC=C1F 29125 [0,1,0,0,1,0|0,0,1]=3 93 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 17138 [0,1,0,0,1,0|1,0,1]=4 94 B14R2.8737 CC1=CC=C2C(=O)C(=O)NC2=C1F 29127 [0,1,0,0,1,0|1,0,1]=4 95 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 13601 [0,1,0,0,1,0|0,0,1]=3 96 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 29123 [0,1,0,0,1,0|0,0,1]=3 97 B14R2.9184 CC1=CC(Br)=C2NC(=O)C(=O)C2=C1 7944 [0,1,0,0,1,0|1,0,1]=4 98 B14R2.9184 CC1=CC(F)=C2NC(=O)C(=O)C2=C1 17970 [0,1,0,0,1,0|1,0,1]=4 99 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 22561 [0,1,0,0,1,0|1,0,1]=4 100 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 27688 [0,1,0,0,1,0|0,0,1]=3 101 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 15517 [0,1,0,0,1,0|0,0,1]=3 102 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 32492 [0,0,1,1,0,0|1,0,0]=3 103 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 28835 [0,0,1,1,0,0|2,0,0]=4 104 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)O1 24755 [0,0,1,1,0,0|1,0,0]=3 105 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 20509 [0,0,1,1,0,0|2,0,0]=4 106 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)O1 28019 [0,0,1,1,0,0|2,0,0]=4 107 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 28034 [0,0,1,1,0,0|2,0,0]=4 108 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 28035 [0,0,1,1,0,0|2,0,0]=4 109 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 32491 [0,0,1,1,0,0|1,0,0]=3 110 B14R2.7969 CC1=CC=CC2=C1SC(C(=O)O)=C2 27993 [0,0,1,1,0,0|1,1,0]=4 111 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Br)=CC=C2 32476 [0,0,1,1,0,0|2,0,0]=4 112 B14R2.7969 O=C(O)C1=CC2=C(O1)C(F)=CC=C2 32474 [0,0,1,1,0,0|2,0,0]=4 113 B12R1.24 NC1=C(C(=O)C=O)C=CC=C1F 28931 [0,0,1,0,1,0|1,0,1]=4 114 B12R2.202 CC1=C2NC(=O)NC2=NC=C1 18670 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.202 CC1=CC=CC2=C1NC(=O)S2 21873 [1,0,0,0,1,0|1,0,0]=3 116 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [1,0,0,0,1,0|1,0,1]=4 117 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [1,0,0,0,1,0|1,0,1]=4 118 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [1,0,0,0,1,0|1,0,1]=4 119 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 21835 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 21838 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 19846 [1,0,0,0,1,0|0,0,2]=4 122 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [1,0,0,0,1,0|2,0,0]=4 123 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [1,0,0,0,1,0|0,0,1]=3 124 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [1,0,0,0,1,0|1,0,1]=4 125 B12R2.196 CC1=C2NC=C(Br)C2=CC=C1 8324 [1,0,0,0,1,0|1,0,0]=3 126 B12R2.196 ClC1=C2NC=C(Br)C2=CC=C1 7965 [1,0,0,0,1,0|2,0,0]=4