0 B13R2.162 CC1=CC=C2C=CN=C(Cl)C2=C1 34167 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 5852 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 5894 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 20825 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.162 ClC1=CC=NC2=CC=C(I)C=C12 14688 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 23770 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 5845 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 NC1=CC=CC2=CC=C(O)C=C12 22270 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.162 OC1=CC=C2C=CN=C(Cl)C2=C1 34766 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 8309 [1,0,0,0,0,0|2,1,0]=4 10 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 7554 [1,0,0,0,0,0|3,0,0]=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 CC1=CC=C2C(Cl)=CC=NC2=C1 34410 [1,0,0,0,0,0|3,0,0]=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 ClC1=CC=C2C(=C1)C=CN=C2Cl 29719 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 5880 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5179 ClC1=CC=NC2=CC(Br)=CC=C12 14669 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.5179 ClC1=CC=NC2=CC(I)=CC=C12 23080 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 24683 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.5179 ClC1=NC2=NC=CC(Cl)=C2C=C1 18425 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.5179 ClC1=NC=CC2=CC(Br)=CC=C21 23144 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 12474 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.5179 NC1=CC=CC2=CC(F)=CC=C12 34829 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 27897 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.5179 NC1=NC2=CC=CC(Cl)=C2C=N1 14696 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 17936 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 24134 [1,0,0,0,0,0|1,0,2]=4 33 B13R2.5179 O=C1COC2=C(C=CC=C2O)N1 27895 [1,0,0,0,0,0|2,0,1]=4 34 B15R2.2039 O=CC1=CC2=CC=CC(Cl)=C2N=C1Cl 23769 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.4825 CC1CC2=C(Cl)C=CC=C2C1=O 32284 [0,0,0,0,1,0|1,0,2]=4 36 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [0,0,0,0,1,0|1,1,1]=4 37 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [0,0,0,0,1,0|1,0,1]=3 38 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [0,0,0,0,1,0|1,1,1]=4 39 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [0,0,0,0,1,0|1,1,1]=4 40 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O 3903 [0,0,0,0,1,0|0,1,1]=3 41 B13R2.4856 O=C1NC2=CC=CC(Cl)=C2C1=O 13911 [0,0,0,0,1,0|0,0,1]=2 42 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 25681 [1,0,1,0,0,0|1,0,0]=3 43 B12R1.224 O=C(O)CC1=C(Br)C(Cl)=CC=C1 31465 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.224 O=C(O)CC1=C(Cl)C(Cl)=CC=C1 26145 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.224 O=C(O)CC1=C(F)C(Cl)=CC=C1 7138 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 8190 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 8211 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 3756 [1,0,1,0,0,0|1,1,0]=4 50 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 3628 [1,0,1,0,0,0|1,0,0]=3 51 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 3488 [1,0,1,0,0,0|1,1,0]=4 52 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 8214 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl 4323 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F 4254 [1,0,1,0,0,0|1,0,1]=4 55 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 18776 [1,0,1,0,0,0|1,1,0]=4 56 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 9426 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 5814 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 21827 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 CC1=CC2=CC=CC=C2N=C1 2344 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 CC1=NC2=CC=CC=C2C=C1 5809 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 9464 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 14555 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 7580 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 FC1=CC2=CC=CC=C2C=C1 19886 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 IC1=NC2=CC=CC=C2C=C1 24681 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 NC1=CC2=CC=CC=C2C=C1 23236 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 NC1=CC2=CC=CC=C2N=C1 12769 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.24 NC1=NC2=CC=CC=C2C=C1 5818 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 O=C1C=CC2=CC=CC=C2O1 21620 [2,0,0,0,0,0|1,0,0]=3 70 B12R2.24 O=C1C=CC2=CC=NC=C2N1 25763 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.24 O=C1C=CC2=CN=CC=C2N1 27583 [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 O=C1COC2=C(C=CC=C2)N1 18791 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.24 OC1=CC2=CC=CC=C2N=C1 12770 [2,0,0,0,0,0|0,0,1]=3 74 B12R2.24 OC1=CC=C2C=CC=NC2=C1 5841 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 OC1=CC=C2C=CN=CC2=C1 6264 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 OC1=CC=C2C=NC=CC2=C1 6260 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 OC1=CC=C2N=CC=CC2=C1 5840 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 OC1=NC2=CC=CC=C2N=C1 15472 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 SC1=CC2=CC=CC=C2C=C1 6833 [2,0,0,0,0,0|1,1,0]=4 80 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 7116 [2,0,0,0,0,0|0,1,1]=4 81 B12R2.1081 Brc1cccc2ccccc12 36195 [2,0,0,0,0,0|1,1,0]=4 82 B12R2.1081 ClC1=C2C=CC=NC2=CC=N1 14684 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.1081 ClC1=C2C=NC=CC2=CC=C1 6216 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 10742 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.1081 ClC1=CC=CC2=CC=CC=C12 9388 [2,0,0,0,0,0|1,0,0]=3 86 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 13906 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.1081 FC1=CC=CC2=CC=CC=C12 10866 [2,0,0,0,0,0|1,1,0]=4 88 B12R2.1081 IC1=CC=CC2=CC=CC=C12 28941 [2,0,0,0,0,0|1,1,0]=4 89 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 7576 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.1081 NC1=CC=CC2=CC=CC=C12 23886 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.1081 OC1=C2C=CC=NC2=CC=C1 12784 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.1081 OC1=CC=CC2=CC=CC=C12 16938 [2,0,0,0,0,0|2,0,0]=4 93 B14R2.142 COC1=CC=C2N=CC=C(Cl)C2=C1 13808 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O 8675 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.28480 O=C1NC2=CC=CC(Cl)=C2C(=O)O1 13597 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.28480 O=C1NC2=CC=CC(F)=C2C(=O)O1 13595 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O 22561 [0,1,0,0,1,0|1,0,1]=4 98 B14R2.4506 CC1=CC=C2NC(=O)C(=O)C2=C1Br 13604 [0,1,0,0,1,0|0,1,1]=4 99 B14R2.27750 O=C1NC2=CC(F)=CC(Cl)=C2C1=O 31700 [0,1,0,0,1,0|0,0,1]=3 100 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 1671 [0,0,1,1,0,0|2,0,0]=4 101 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 15895 [0,0,1,0,1,0|1,0,1]=4 102 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 5743 [0,0,1,0,1,0|1,0,1]=4 103 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 5742 [0,0,1,0,1,0|1,0,1]=4 104 B12R2.202 CC1=CC2=C(Cl)C=CC=C2C1 35009 [1,0,0,0,1,0|1,0,1]=4 105 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 9379 [1,0,0,0,1,0|2,0,0]=4 106 B12R2.203 CC1=CNC2=NC=CC(Cl)=C12 19350 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.203 CC1=CSC2=C1C(Cl)=CC=C2 33022 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 32535 [1,0,0,0,1,0|2,0,0]=4 109 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br 33044 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.203 ClC1=C2C(=CC=C1)NN=C2I 33045 [1,0,0,0,1,0|2,0,0]=4 111 B12R2.203 ClC1=C2C(Br)=CNC2=NC=C1 19335 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.203 ClC1=C2C(I)=CNC2=NC=C1 26767 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.203 ClC1=NC=CC2=C1C(Br)=CN2 14732 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.203 ClC1=NC=CC2=C1C(I)=CN2 26774 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.203 FC1=CNC2=NC=CC(Cl)=C12 19332 [1,0,0,0,1,0|2,0,0]=4 116 B12R2.203 NC1=NNC2=CC=CC(Cl)=C21 32562 [1,0,0,0,1,0|2,0,0]=4 117 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 7334 [1,0,0,0,1,0|2,0,0]=4 118 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [1,0,0,0,1,0|0,0,1]=3 119 B12R2.18 O=C1NC2=NC=CC=C2C1=O 26690 [1,0,0,0,1,0|1,0,1]=4 120 B12R2.196 CC1=CSC2=C1C=CC=C2Cl 13563 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.196 ClC1=C2NC=C(Br)C2=CC=C1 7965 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 5340 [1,0,0,0,1,0|0,0,2]=4 123 B12R2.196 O=C1COC2=C1C=CC=C2Cl 17867 [1,0,0,0,1,0|1,0,1]=4 124 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 25129 [1,0,0,0,1,0|1,0,1]=4 125 B12R2.196 O=C1OCC2=C(Cl)C=CC=C12 19470 [1,0,0,0,1,0|1,0,1]=4