0 B12R2.612 BrC1=NC=C2C(=C1)NN=C2I CS-0037118 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.612 CC1=NC=C2C(I)=NNC2=N1 CS-B0591 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 CC1=NNC2=NC(Cl)=NC=C12 CS-0059044 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.612 CN1N=CC2=NC(Cl)=CC=C21 CS-0644621 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 ClC1=CC2=C(N=C1)C(Br)=NN2 CS-0444972 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.612 ClC1=CN2C=NC(Br)=C2C=N1 CS-0136684 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 ClC1=CN=C2C(Br)=CNC2=N1 CS-0568138 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 CS-0054255 [0,0,0,0,0,0|1,1,0]=2 8 B12R2.612 NC1=CNC2=CC(Br)=CC=C12 CS-0255974 [0,0,0,0,0,0|2,1,0]=3 9 B12R2.612 NC1=NN=C2C=C(Br)C=CN12 CS-0781873 [0,0,0,0,0,0|2,1,1]=4 10 B12R2.612 O=C1NCC2=CC(I)=CC=C12 CS-0466975 [0,0,0,0,0,0|1,1,2]=4 11 B12R2.612 OC1=NN=C2C=C(Cl)C=CN12 CS-0321520 [0,0,0,0,0,0|1,0,1]=2 12 B11R2.1 BrC1=NC=C2C=CC=CN21 CS-0198899 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 CC1=CNC2=C1C=CN=C2 CS-0056698 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 CC1=NC=C2C=CC=CN21 CS-0669417 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 NC1=CNC2=CC=CN=C12 CS-0141583 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 BrC1=CN2N=NC=C2C=C1 CS-0181051 [1,0,0,0,0,0|1,1,1]=4 17 B11R2.36 CC1=NC=C2C=NNC2=N1 CS-B0806 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.36 ClC1=CC2=C(C=C1)C=NO2 CS-0269309 [1,0,0,0,0,0|1,0,0]=2 19 B11R2.36 FC1=CC2=C(C=C1)C=NO2 CS-0530447 [1,0,0,0,0,0|1,1,0]=3 20 B13R2.662 NCC1=NOC2=CC(F)=CC=C21 CS-0286263 [0,1,0,0,0,0|2,1,0]=4 21 B13R2.662 O=CC1=CNC2=C1C=CC(O)=C2 CS-B1236 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.662 O=CC1=CNC2=C1N=CC(Cl)=C2 CS-0268514 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.662 OCC1=CN=C2C=C(Cl)C=CN12 CS-0736749 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.2130 N#CC1=CC2=C(C=N1)C(Br)=NN2 CS-0471894 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.2130 O=CC1=CC2=C(C=C1)C(I)=NN2 CS-0039521 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.5180 CC1=C(I)C2=C(C=C1)C(N)=NO2 CS-0610278 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.5180 NC1=NNC2=C1C=CC(F)=C2F CS-0130534 [0,1,0,0,0,0|1,1,0]=3 28 B13R2.5187 CN1N=C(I)C2=CN=C(Cl)N=C21 CS-0641501 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.5187 CN1N=C(N)C2=C1C=C(Cl)C=C2 CS-0440071 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.11634 CC1=CNC2=C1C=C(F)C(Br)=C2 CS-0055943 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.11642 CC1=COC2=CC(Cl)=CC(Cl)=C12 CS-0597744 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 CC1=CC=C(\C(C)=N\O)C=C1 CS-0324021 [0,0,1,0,0,0|3,0,0]=4 33 B11R1.22 NCC(=O)C1=CC=C(I)C=C1 CS-0764716 [0,0,1,0,0,0|1,1,1]=4 34 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 CS-0168493 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.22 O[C@H](CCl)C1=CC=C(Cl)C=C1 CS-0566714 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 CS-0091222 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 CS-W006736 [0,0,1,0,0,0|1,1,1]=4 38 B11R1.166 N=C(N)C1=CC=C(Br)C=C1F CS-M2562 [0,0,1,0,0,0|2,1,0]=4 39 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1N CS-B0236 [0,0,1,0,0,0|1,0,2]=4 40 B13R2.3683 ClC1=CC2=C(C=C1)C=C(Br)N=C2 CS-0082163 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.3683 FC1=CC2=CN=C(Cl)N=C2C=C1 CS-0148873 [0,0,0,0,0,1|2,1,0]=4 42 B13R2.3683 NC1=NC=C2C=C(F)C=CC2=N1 CS-0084750 [0,0,0,0,0,1|2,1,0]=4 43 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2N1 CS-0155444 [0,0,0,0,0,1|2,0,1]=4 44 B13R2.3683 OC1=CC2=C(C=N1)C=C(Br)C=C2 CS-0054289 [0,0,0,0,0,1|1,1,0]=3 45 B13R2.3683 OC1=CC=C2C=C(I)C=CC2=C1 CS-0312290 [0,0,0,0,0,1|2,1,0]=4 46 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=C1 CS-0216850 [0,0,0,0,0,1|1,0,1]=3 47 B13R2.5179 BrC1=CC2=C(C=C1)C(Br)=CN=C2 CS-0139734 [0,0,0,0,0,1|2,1,0]=4 48 B13R2.5179 CC1=NC=CC2=CC(Br)=CC=C21 CS-0210851 [0,0,0,0,0,1|2,1,0]=4 49 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NN=C1 CS-0133637 [0,0,0,0,0,1|1,1,1]=4 50 B13R2.5179 ClC1=CC=C2C(I)=CC=NC2=C1 CS-0135559 [0,0,0,0,0,1|2,0,1]=4 51 B13R2.5179 OC1=CC=NC2=CC(Cl)=CC=C12 CS-W017251 [0,0,0,0,0,1|1,0,1]=3 52 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-0000291 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [1,0,1,0,0,0|1,1,0]=4 54 B10R1.15 C\C(=N/O)C1=CC=CC=C1 CS-0160349 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.25 CCC1=CC=C(Cl)C=C1N CS-0137219 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS-0188334 [1,0,1,0,0,0|2,0,0]=4 57 B10R2.7 C1=CC=C2NC=NC2=C1 CS-0379189 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl CS-0033723 [0,1,1,0,0,0|0,0,2]=4 59 B12R1.226 C(C(=O)O)=CC1=CC(Cl)=CC=C1 CS-W017081 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O CS-0028798 [0,1,1,0,0,0|1,1,0]=4 61 B12R1.452 C#CC1=CC=C(C(=O)O)C(N)=C1 CS-0609643 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.452 N#CC1=CC=C(C(=O)O)C(N)=C1 CS-0102040 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.893 NC1=C(C(=O)O)C=NC(Cl)=C1F CS-0343122 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)C=C1 CS-0193548 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.1000 CC1=C(C(=O)O)C(I)=CC(Cl)=C1 CS-0613326 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.1000 CC1=C(C(=O)O)C(N)=CC(Br)=C1 CS-0196551 [0,1,1,0,0,0|1,1,0]=4 67 B12R1.1000 CC1=CC(Cl)=CC(C)=C1C(=O)O CS-0194785 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.1000 NC1=CC(Cl)=NC(Cl)=C1C(=O)O CS-W022067 [0,1,1,0,0,0|2,0,0]=4 69 B12R2.1 OCC1=NC=C2C=CC=CN21 CS-1038486 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.132 CC1=CC2=C(C=N1)NN=C2Br CS-0469092 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.132 CC1=CC=C2NN=C(Br)C2=N1 CS-WAA0151 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 CS-0063939 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.132 CC1=NNC2=C1N=C(Br)C=C2 CS-0197757 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.132 ClC1=CNC2=C1C=C(Br)C=C2 CS-0375925 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.132 NC1=CC2=C(C=C1)NC=C2Br CS-0284272 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.132 OC1=NOC2=CC=C(Cl)C=C21 CS-0005505 [1,1,0,0,0,0|1,0,0]=3 77 B12R2.196 BrC1=CC=CC2=C1NN=C2I CS-0050084 [1,1,0,0,0,0|1,0,0]=3 78 B12R2.196 BrC1=NC=CC2=C1NN=C2I CS-0433511 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.196 OC1=NOC2=C1C=CC=C2Br CS-0453174 [1,1,0,0,0,0|1,0,0]=3 80 B12R2.203 CC1=CNC2=CC=CC(F)=C12 CS-0439764 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.203 CC1=NOC2=CC=CC(O)=C21 CS-0340451 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.203 NC1=NNC2=C1C(=O)NC=C2 CS-0171518 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.203 NC1=NNC2=C1C(Br)=CC=C2 CS-W009221 [1,1,0,0,0,0|1,0,0]=3 84 B12R2.2028 CN1C=C(N)C2=C1C=CC=C2 CS-0693770 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.44 C#CC1=CC2=C(C=CN2)C=C1 CS-0266225 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.44 NCC1=CC=C2N=NNC2=C1 CS-0254527 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.44 OCC1=CC=C2C=NNC2=C1 CS-0052543 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.82 ClC1=C(Br)C2=C(C=CN2)C=C1 CS-0564497 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.82 ClC1=C(Br)C=CC2=C1NC=C2 CS-0617788 [1,1,0,0,0,0|1,1,0]=4 90 B12R2.82 ClC1=CC=C2C=COC2=C1Br CS-0029765 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.100 ClC1=C(Cl)N=C2C=CNC2=C1 CS-0103503 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.100 ClC1=C(I)C=C2C=NNC2=N1 CS-0653097 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.100 FC1=C(Cl)C=C2NCCC2=C1 CS-0657200 [1,1,0,0,0,0|1,0,1]=4 94 B12R2.100 FC1=C(Cl)N=C2NC=CC2=C1 CS-0050220 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.100 FC1=CC2=C(C=C1Cl)NN=C2 CS-0050221 [1,1,0,0,0,0|0,0,0]=2 96 B12R2.100 FC1=CC2=C(C=NN2)C=C1Br CS-D1263 [1,1,0,0,0,0|0,1,0]=3 97 B12R2.100 NC1=C(F)C=C2C=CNC2=C1 CS-0155537 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.100 NC1=CC2=C(C=C1Cl)NC=C2 CS-0055868 [1,1,0,0,0,0|1,0,0]=3 99 B12R2.246 CC1=C2C=CNC2=CC(N)=C1 CS-0542379 [1,1,0,0,0,0|2,0,0]=4 100 B12R2.246 CC1=C2C=NNC2=NC(Cl)=C1 CS-0183987 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.246 CC1=C2C=NNC2=NC(Cl)=N1 CS-0447392 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.246 CC1=CC(O)=C2C=NNC2=N1 CS-0529511 [1,1,0,0,0,0|2,0,0]=4 103 B12R2.246 CC1=NC(Cl)=CC2=C1C=NN2 CS-0492676 [1,1,0,0,0,0|1,0,0]=3 104 B12R2.246 ClC1=CC(Br)=CC2=C1C=CN2 CS-W019333 [1,1,0,0,0,0|1,1,0]=4 105 B12R2.246 ClC1=CC(Cl)=C2CCNC2=C1 CS-0271919 [1,1,0,0,0,0|1,0,1]=4 106 B12R2.246 ClC1=CC(Cl)=C2NN=CC2=C1 CS-0317713 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=N1 CS-0653654 [0,1,0,0,0,1|1,1,0]=4 108 B14R2.8239 NC1=NC2=CC(Cl)=C(Cl)C=C2C=N1 CS-0490248 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.8751 ClC1=CC2=C(Cl)N=CC(Br)=C2C=C1 CS-M1530 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.29365 CC1=CC2=C(C=CC(Cl)=C2)C(Br)=N1 CS-0885932 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.29365 CC1=NC(Cl)=C2C=CC(Cl)=CC2=C1 CS-0884144 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.300 CC(=O)C1=NNC2=C1C=CC(Br)=C2 CS-0324758 [0,2,0,0,0,0|0,1,1]=4 113 B14R2.300 NC1=CC2=C(C=C1)C(C(=O)O)=NN2 CS-0312280 [0,2,0,0,0,0|1,0,0]=3 114 B14R2.4217 O=C1NC2=C(C=CC(Cl)=C2)\C1=N\O CS-0626905 [0,2,0,0,0,0|1,0,0]=3 115 B14R2.36882 COC1=CC2=C(C(F)=C1)C(I)=NN2 CS-0646859 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.49 CC1=CC=C(N\C(S)=N\N)C=C1 CS-W016002 [0,0,1,0,0,1|1,1,0]=4