0 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.18 S=C(Cl)OC1=CC=CC=C1 CS-W008892 [1,0,0,0,0,0|2,1,0]=4 8 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 CS-W017890 [0,1,0,0,0,0|3,0,0]=4 10 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W007567 [0,1,0,0,0,0|1,0,2]=4 12 B12R2.18 CC1=C(Br)C2=CC=CC=C2O1 CS-0061201 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 CS-W010999 [0,0,0,1,0,0|2,0,0]=3 14 B12R2.24 BrC1=CC2=C(C=CC=C2)C=N1 CS-B0168 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS-W007537 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS-W019978 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 CS-W019889 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS-D0847 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 CS-W016386 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.24 CC1=NC2=CC=CN=C2C=C1 CS-0021495 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS-D0870 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS-W007925 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 CS-W016083 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.24 FC1=CC=C2C=CN=CC2=C1 CS-W006329 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.24 IC1=CC2=CC=CC=C2C=C1 CS-W005581 [0,0,0,1,0,0|2,0,0]=3 26 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 CS-W018597 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS-W009009 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS-0037457 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS-W007404 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.32 N#CC1=CC2=C(C=CC=C2)S1 CS-W022576 [0,0,0,1,0,0|2,0,1]=4 32 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 CS-0058435 [0,0,0,1,0,0|2,0,0]=3 33 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS-W016366 [0,0,0,1,0,0|1,0,0]=2 34 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CS-W004842 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.32 O=CC1=CC2=CC=CC=C2S1 CS-W007442 [0,0,0,1,0,0|1,0,0]=2 36 B12R2.32 O=CC1=NC2=CC=CC=C2S1 CS-W013251 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.32 OCC1=CC2=CC=CC=C2S1 CS-W017901 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [2,0,0,0,0,0|0,0,2]=4 40 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 CS-W019538 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.86 CC(=O)CC1=CC=CC=C1Cl CS-0043797 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.86 O=C(O)CC1=CC=CC=C1Br CS-W007544 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS-B0132 [1,1,0,0,0,0|0,0,1]=3 52 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 CS-0094851 [0,1,0,0,1,0|1,0,0]=3 55 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS-M0172 [0,1,0,0,0,1|0,0,2]=4 56 B13R1.133 [C@H](C)(OC1=CC=C(O)C=C1)C(=O)O CS-WAA0110 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.148 C\C(=C/C1=CC=CC(Br)=C1)[N+](=O)[O-] CS-M0875 [0,2,0,0,0,0|1,0,0]=3 58 B11R2.1 BrC1=CSC2=CC=CC=C12 CS-W005311 [1,0,0,1,0,0|2,0,0]=4 59 B11R2.1 CN1C=CC2=C1C=CC=C2 CS-W008981 [1,0,0,1,0,0|2,0,0]=4 60 B11R2.1 NN1C=CC2=C1C=CC=C2 CS-D0779 [1,0,0,1,0,0|2,0,0]=4 61 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [1,0,0,1,0,0|0,1,0]=3 62 B11R2.10 CC1=CC2=CC=CN=C2N1 CS-D0723 [1,0,0,1,0,0|2,0,0]=4 63 B11R2.10 CC1=NC2=CC=CC=C2N1 CS-W013410 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [1,0,0,1,0,0|1,0,0]=3 65 B11R2.10 O=C1CC2=CC=CN=C2N1 CS-W019704 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.10 O=C1CN2C=CC=CC2=N1 CS-0005554 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 CS-W012386 [0,0,0,1,0,1|2,0,0]=4 69 B13R2.32 CN1C=CC2=C(C=CC=C2)C1=O CS-W009059 [0,0,0,1,0,1|1,0,0]=3 70 B13R2.32 NC1=C(Cl)C2=CC=CC=C2N=C1 CS-0060572 [0,0,0,1,0,1|2,0,0]=4 71 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS-W007565 [0,0,0,1,0,1|2,0,0]=4 72 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS-W002012 [0,0,0,1,0,1|0,0,1]=3 73 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS-W018545 [0,0,0,1,0,1|1,0,1]=4 74 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 CS-W020606 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.135 CN1N=C2C=CC=CC2=C1C=O CS-0101167 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.135 O=CC1=C(Br)NC2=C1C=CC=C2 CS-0037200 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.135 O=CC1C2=CC=CC=C2N=C1O CS-0043887 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 CS-W021278 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 CS-W017955 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [0,1,0,1,0,0|1,0,1]=4 81 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 CS-0063895 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.328 OC1=C2C=CC=CC2=CC(Br)=C1 CS-0040490 [0,1,0,1,0,0|1,0,1]=4 83 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 CS-0061738 [0,1,0,1,0,0|0,0,0]=2 84 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 CS-0103336 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1Br CS-W013032 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.369 CC1=CC2=C(C=CC=N2)C=C1Br CS-W007221 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O CS-0035849 [0,1,0,1,0,0|1,0,1]=4 88 B13R2.369 N=C1NC2=CC=CC=C2C=C1Br CS-W006722 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 CS-W021743 [0,1,0,1,0,0|0,0,2]=4 90 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,1,0,1,0,0|1,0,0]=3 91 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 CS-D0712 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CS-W004876 [0,1,0,1,0,0|1,0,0]=3 93 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-0037560 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CS-W022940 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 CS-M2631 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)N1 CS-B1690 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2S1 CS-0096056 [0,1,0,1,0,0|1,0,0]=3 98 B13R2.43 O=CC1=CN2C=C(Br)C=CC2=N1 CS-0042498 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.43 O=CC1=NC2=C(C=CC(F)=C2)N1 CS-0043844 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.3028 CN1CC2=C(C=C(Br)C=C2)C1=O CS-W022456 [0,1,0,1,0,0|1,0,1]=4 101 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O CS-D1123 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 CS-0062122 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.3683 BrC1=CC=C2C=C(I)C=CC2=C1 CS-0030382 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 CS-0041973 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 CS-0102646 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.54 O=CC1=CN2C(Br)=CC=CC2=N1 CS-0041955 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.54 O=CC1=CN2C(Cl)=CC=CC2=N1 CS-0100658 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CS-0032411 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 CS-0038993 [0,1,0,1,0,0|1,0,0]=3 110 B13R2.155 CC1=NC2=C(C=CC(Br)=C2)C=C1 CS-W006479 [0,1,0,1,0,0|2,0,0]=4 111 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS-W020576 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 CS-D0104 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O CS-W018814 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 CS-W023110 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O CS-W002793 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.5190 O=C1NC2=C(C=CC(F)=C2)C1=O CS-0020156 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.162 CC1=CC2=C(C=C1)C=NC=C2Br CS-0044900 [0,1,0,1,0,0|2,0,0]=4 118 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CS-0101612 [0,1,0,1,0,0|2,0,0]=4 119 B13R2.162 NC1=C2C=C(Br)C=NC2=CC=C1 CS-0058711 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 CS-D0205 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.162 OC1=CC=CC2=C1C=C(Br)C=N2 CS-W006714 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 CS-W007719 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [1,0,0,0,1,0|1,0,0]=3 124 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [1,0,0,0,1,0|1,0,0]=3 125 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [1,0,0,0,1,0|1,0,1]=4 127 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [1,0,0,0,1,0|1,0,1]=4 128 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [1,0,0,0,1,0|0,0,2]=4 129 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [1,0,0,0,1,0|1,0,0]=3