0 B13R2.3683 BrC1=CC2=CC=C(I)C=C2N=C1 CS-0062122 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.3683 BrC1=CC=C2C=C(I)C=CC2=C1 CS-0030382 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.3683 ClC1=CC2=C(C=C1)N=C(Cl)C=N2 CS-W008551 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.3683 NC1=NC2=NC=C(Br)C=C2C=C1 CS-W022447 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.3683 O=C1C=CC2=C(C=CC(F)=C2)N1 CS-0046872 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.3683 O=C1C=CC2=CC(Cl)=CN=C2N1 CS-0043046 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)C1 CS-B0116 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.3683 O=C1CCC2=C(C=CC(O)=C2)N1 CS-W002905 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 CS-W005367 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.3683 OC1=CC=C2C=C(Br)C=NC2=C1 CS-0041973 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 CS-0102646 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.24 BrC1=CC2=C(C=CC=C2)C=N1 CS-B0168 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS-W007537 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS-W019978 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 CS-W019889 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS-D0847 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 CS-W016386 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 CC1=NC2=CC=CN=C2C=C1 CS-0021495 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS-D0870 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS-W007925 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 ClC1=CC=C2N=CC=NC2=C1 CS-0106587 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 ClC1=NC2=CC=CC=C2N=C1 CS-W016083 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 FC1=CC=C2C=CN=CC2=C1 CS-W006329 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 IC1=CC2=C(C=C1)N=CC=N2 CS-W006975 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 IC1=CC2=CC=CC=C2C=C1 CS-W005581 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 NC1=CC2=C(C=C1)N=CC=N2 CS-W018250 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.24 NC1=CC2=C(C=CC=N2)C=C1 CS-W018597 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS-W009009 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS-0037457 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS-W007404 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 O=C1C=CC2=NC=CN=C2N1 CS-0097930 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [1,0,0,0,0,0|2,0,1]=4 34 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [1,0,0,0,0,0|1,0,1]=3 35 B12R2.24 OC1=CC=C2N=CC=CC2=N1 CS-0039082 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=C1 CS-W008969 [0,1,0,0,0,0|2,0,0]=3 37 B14R2.2332 COC1=CC=C2NC(=O)CSC2=C1 CS-0046231 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.2332 O=CC1=NC2=CC=C(F)C=C2C=C1 CS-0088148 [0,1,0,0,0,0|2,0,0]=3 39 B14R2.4493 CC1(C)C=CC2=C(C=CC(N)=C2)O1 CS-W020481 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 CS-0041628 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.8235 O=C1NC(=O)C2=C(C=CC(I)=C2)N1 CS-0060656 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.8235 O=C1NC(=O)C2=CC(F)=CC=C2N1 CS-D0544 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 CS-W017781 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 CS-W010558 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1Br CS-0097759 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [0,0,1,0,0,0|0,0,2]=3 47 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,0,1,0,0,0|0,0,0]=1 48 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 CS-0046821 [0,0,1,0,0,0|2,0,1]=4 50 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 CS-W023086 [0,0,0,0,1,0|3,0,0]=4 51 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)S2 CS-0072609 [0,0,0,0,1,0|3,0,0]=4 52 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 CS-0005465 [0,0,0,0,1,0|1,0,1]=3 53 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 CS-W007733 [0,0,0,0,1,0|2,0,0]=3 54 B12R2.606 CC1=CC2=C(C=C1)SC(N)=N2 CS-0039099 [0,0,0,0,1,0|2,1,0]=4 55 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS-W017747 [0,0,0,0,1,0|2,0,1]=4 56 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 CS-0045386 [0,0,0,0,1,0|2,0,0]=3 57 B12R2.606 CC1=CC=C2OC(=S)NC2=C1 CS-W013240 [0,0,0,0,1,0|1,1,0]=3 58 B12R2.606 CC1=NC2=C(C=CC(F)=C2)O1 CS-0043986 [0,0,0,0,1,0|3,0,0]=4 59 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS-W021726 [0,0,0,0,1,0|3,0,0]=4 60 B12R2.606 ClC1=CC2=C(C=C1)OC(Cl)=N2 CS-W019777 [0,0,0,0,1,0|3,0,0]=4 61 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 CS-W010983 [0,0,0,0,1,0|2,0,1]=4 62 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 CS-W019442 [0,0,0,0,1,0|3,0,0]=4 63 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 CS-W005800 [0,0,0,0,1,0|2,0,1]=4 64 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 CS-0042609 [0,0,0,0,1,0|3,0,0]=4 65 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 CS-0042122 [0,0,0,0,1,0|2,0,0]=3 66 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 CS-0038220 [0,0,0,0,1,0|2,0,0]=3 67 B12R2.606 O=C1NC2=CC=C(Br)C=C2S1 CS-W022468 [0,0,0,0,1,0|3,0,0]=4 68 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 CS-M1396 [0,0,0,0,1,0|2,1,0]=4 69 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 CS-B1579 [0,0,0,0,1,0|2,0,0]=3 70 B12R2.612 CC1=CC2=NC=C(Br)N2C=C1 CS-0038367 [0,0,0,0,1,0|3,0,0]=4 71 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS-D0685 [0,0,0,0,1,0|1,0,2]=4 72 B12R2.612 O=C1CCC2=CC(I)=CC=C12 CS-0001932 [0,0,0,0,1,0|1,0,2]=4 73 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 CS-D1613 [0,0,0,0,1,0|2,0,1]=4 74 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 CS-WAA0329 [0,0,0,0,1,0|2,0,1]=4 75 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS-W007667 [0,0,0,0,1,0|2,0,1]=4 76 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.37 COC1=C(C=O)C=C(C)C=C1 CS-M1298 [1,0,1,0,0,0|1,0,1]=4 78 B11R1.37 COC1=CC(C)=CC=C1C=O CS-W021710 [1,0,1,0,0,0|1,0,1]=4 79 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,1,0,0,0|1,0,0]=3 80 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,0,1,0,0,0|1,0,1]=4 81 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [1,0,1,0,0,0|1,0,0]=3 82 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [1,0,1,0,0,0|1,0,1]=4 83 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 CS-0073453 [0,1,1,0,0,0|1,0,1]=4 84 B13R2.32 CC1=C2C=CC=NC2=CC=C1Br CS-0042366 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.32 CN1C=CC2=C(C=CC=C2)C1=O CS-W009059 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS-W007565 [1,1,0,0,0,0|1,0,1]=4 87 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS-W005234 [1,1,0,0,0,0|1,0,1]=4 88 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 CS-0005444 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS-W017948 [1,1,0,0,0,0|1,0,0]=3 90 B13R2.57 COC1=NC2=CC=CC=C2C=C1 CS-W006119 [1,1,0,0,0,0|1,0,1]=4 91 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS-W023193 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 CS-0019004 [1,1,0,0,0,0|1,0,1]=4 93 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 CS-0007614 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS-W002012 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS-W018545 [1,1,0,0,0,0|1,0,1]=4 96 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CS-0032411 [1,1,0,0,0,0|0,0,0]=2 97 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 CS-0038993 [1,1,0,0,0,0|1,0,0]=3 98 B13R2.155 CC1=NC2=C(C=CC(Br)=C2)C=C1 CS-W006479 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 CS-W020576 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 CS-W006065 [1,1,0,0,0,0|1,0,0]=3 101 B13R2.155 OC1=CC2=CC(Br)=CC=C2N=C1 CS-D0104 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.155 OC1=CC2=NC(Cl)=CC=C2C=C1 CS-0060431 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.162 CC1=C2N=C(Cl)C=CC2=CC=C1 CS-W021670 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.162 CC1=CC2=C(C=C1)C=NC=C2Br CS-0044900 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CS-0101612 [1,1,0,0,0,0|0,0,0]=2 106 B13R2.162 ClC1=NC2=C(C=CC=C2Br)C=C1 CS-W005368 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.162 FC1=CC2=C(Br)C=CN=C2C=C1 CS-W013031 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.162 FC1=CC2=C(Cl)C=CN=C2C=C1 CS-W005166 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 CS-B1326 [1,1,0,0,0,0|0,0,0]=2 110 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 CS-D0205 [1,1,0,0,0,0|1,0,1]=4 111 B13R2.162 OC1=CC=NC2=CC=C(Cl)C=C12 CS-0042920 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.162 OC1=CC=NC2=CC=C(F)C=C12 CS-0044574 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS-0097736 [1,1,0,0,0,0|1,0,1]=4 114 B13R2.328 CC1=NC2=CC=CC=C2C(N)=C1 CS-W017955 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.328 ClC1=CC(Br)=C2N=CC=CC2=C1 CS-0101595 [1,1,0,0,0,0|2,0,0]=4 116 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 CS-D0244 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.328 FC1=C2N=CC=CC2=CC(Br)=C1 CS-W005225 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 CS-0101677 [1,1,0,0,0,0|0,0,0]=2 119 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CS-W010863 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.328 OC1=C2C=CC=CC2=CC(Br)=C1 CS-0040490 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.369 CC1=CC2=C(C=CC=N2)C=C1Br CS-W007221 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.369 N=C1NC2=CC=CC=C2C=C1Br CS-W006722 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 CS-W023110 [1,1,0,0,0,0|1,0,1]=4 124 B13R2.43 O=CC1=CC2=C(C=CC(Br)=C2)N1 CS-B1690 [0,1,0,0,1,0|2,0,0]=4 125 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2S1 CS-0096056 [0,1,0,0,1,0|1,1,0]=4 126 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 CS-W008520 [0,1,0,0,1,0|2,0,0]=4 127 B13R2.3028 O=C1NC2=C(C=C(Cl)C=C2)C1=O CS-D1123 [0,1,0,0,1,0|2,0,0]=4 128 B13R2.662 CC1=CC2=C(C=C1)C(C=O)=CN2 CS-W007833 [0,1,0,0,1,0|1,0,0]=3 129 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CS-0028341 [0,1,0,0,1,0|2,0,0]=4 130 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Br)=C2 CS-W019549 [0,1,0,0,1,0|2,0,0]=4 131 B15R2.4780 COC1=CC=C2C=C(C=O)C=CC2=C1 CS-W016900 [0,2,0,0,0,0|1,0,0]=3 132 B15R2.4780 COC1=CC=C2C=C(OC)C=CC2=C1 CS-M0857 [0,2,0,0,0,0|1,0,1]=4 133 B15R2.7180 CC(=O)C1=CC=C2C=C(Br)C=CC2=C1 CS-0041458 [0,2,0,0,0,0|2,0,0]=4 134 B15R2.7180 O=C(O)C1=CC2=CC=C(O)C=C2C=C1 CS-W016817 [0,2,0,0,0,0|2,0,0]=4 135 B15R2.7180 O=C(O)C1=CC=C2C=C(Br)C=CC2=C1 CS-W009021 [0,2,0,0,0,0|2,0,0]=4 136 B15R2.10252 CCOC1=CC=C2N=C(C)C=CC2=C1 CS-W015987 [0,2,0,0,0,0|2,0,0]=4 137 B13R2.371 CC1=C2C=CC=CC2=C(Br)C=C1 CS-0059152 [0,0,1,1,0,0|2,0,0]=4 138 B13R2.371 CC1=C2C=CC=NC2=C(O)C=C1 CS-W019183 [0,0,1,1,0,0|2,0,0]=4 139 B13R2.371 OC1=C2C=CC=CC2=C(F)C=C1 CS-0040737 [0,0,1,1,0,0|2,0,0]=4 140 B13R2.342 CC1=CC=CC2=C1C=CN=C2Cl CS-0101165 [0,0,1,1,0,0|2,0,0]=4 141 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS-W010777 [0,0,1,0,1,0|1,0,1]=4 142 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 CS-W004799 [0,0,1,0,1,0|1,0,1]=4 143 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS-W018148 [0,0,1,0,1,0|1,0,1]=4 144 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS-W005794 [0,0,1,0,1,0|2,0,0]=4 145 B11R2.1 BrC1=CSC2=CC=CC=C12 CS-W005311 [1,0,0,0,1,0|2,0,0]=4 146 B11R2.1 CN1C=CC2=C1C=CC=C2 CS-W008981 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 NN1C=CC2=C1C=CC=C2 CS-D0779 [1,0,0,0,1,0|2,0,0]=4 148 B11R2.10 CC1=CC2=C(C=CC=C2)S1 CS-W021725 [1,0,0,0,1,0|1,1,0]=4 149 B11R2.10 CC1=CC2=CC=CN=C2N1 CS-D0723 [1,0,0,0,1,0|2,0,0]=4 150 B11R2.10 N=C1NC2=CC=CC=C2O1 CS-W007637 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.10 O=C1CC2=CC=CC=C2O1 CS-M0764 [1,0,0,0,1,0|0,0,1]=3 152 B11R2.10 O=C1NC2=C(C=CC=C2)S1 CS-W019496 [1,0,0,0,1,0|1,1,0]=4 153 B11R2.10 O=C1NC2=NC=CC=C2O1 CS-0012220 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.10 SC1=NC2=CC=CC=C2O1 CS-W018116 [1,0,0,0,1,0|1,1,0]=4 155 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 CS-D0617 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.36 BrC1=CC=C2C=CNC2=C1 CS-D1020 [1,0,0,0,1,0|2,0,0]=4 157 B11R2.36 CC1=CC2=C(C=C1)OCO2 CS-M1002 [1,0,0,0,1,0|1,0,1]=4 158 B11R2.36 CC1=CC2=NC=CN2C=C1 CS-0036397 [1,0,0,0,1,0|2,0,0]=4 159 B11R2.36 CC1=CC=C2N=COC2=C1 CS-0100362 [1,0,0,0,1,0|2,0,0]=4 160 B11R2.36 FC1=CC=C2NC=CC2=C1 CS-D0680 [1,0,0,0,1,0|2,0,0]=4 161 B11R2.36 NC1=CC=C2C=COC2=C1 CS-0102042 [1,0,0,0,1,0|2,0,0]=4 162 B11R2.36 NC1=CC=C2OC=CC2=C1 CS-W004624 [1,0,0,0,1,0|1,0,0]=3 163 B11R2.36 NC1=CC=C2SC=CC2=C1 CS-W005352 [1,0,0,0,1,0|1,1,0]=4