0 B11R1.280 C#CC1=C(F)C=CC(CO)=C1 55282 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.280 CC1=NC=C(CO)C=C1C#N 91344 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.280 COC1=C(Br)C=CC(C=O)=N1 D70757 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.280 COC1=C(F)C=CC(CN)=N1 C14467 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.280 COC1=C(S)C=CC(C=O)=C1 AT20890 [0,0,0,0,0,0|0,1,2]=3 9 B11R1.280 COC1=CC(CBr)=CN=C1Cl 91756 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.280 COC1=CC(CCl)=NC=C1C C16782 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.280 COC1=CC(CO)=CN=C1Cl 91755 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.280 COC1=CC=C(O)C(OC)=N1 C16610 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.280 COC1=[N+]([O-])C=CC(CO)=C1 C92064 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.280 N#CC1=C(Cl)C=CC(CO)=C1 53565 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.280 N#CC1=C(F)C=CC(CN)=C1 C90792 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.30 CC1=CC(C#N)=C(S)C=C1 AT20893 [1,0,0,0,0,0|2,1,0]=4 18 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.30 CC1=NC(C#N)=C(O)C=C1 57115 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.30 COC1=CC(Br)=NC=C1F AT26883 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [1,0,0,0,0,0|2,1,0]=4 33 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [1,0,0,0,0,0|1,1,0]=3 34 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.172 CCC1=NC=CC(CN)=C1 57083 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.172 CNC1=CC=CC(SC)=C1 AT20859 [1,0,0,0,0,0|2,1,0]=4 41 B10R1.172 CNC1=NC=CC(CO)=C1 AT18191 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.172 CNC1=NC=CC(CO)=N1 D75561 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.172 COC1=CN=NC(CO)=C1 P14137 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.172 COC1=NC(CN)=CC=C1 79028 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.172 COC1=NC(NN)=CC=C1 F16103 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.172 COC1=NC=CC(CCl)=N1 F30444 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.172 COC1=NC=NC(CN)=C1 P12885 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [1,0,0,0,0,0|1,1,0]=3 53 B10R1.172 NCC1=CC=CC(CO)=C1 C75075 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.172 OCC1=CN=CC(CO)=C1 61754 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.176 BrCC1=CC(Br)=C(I)C=C1 AT26690 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.176 BrCC1=CC(I)=C(Br)C=C1 97476 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.176 C#CC1=CC(C)=C(Br)C=C1 C91264 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.176 CC1=C(Br)C=C(CO)N=C1 81452 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.176 CC1=C(Br)C=NC(CN)=C1 AC7093 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.176 CC1=C(Br)C=NC(CO)=C1 C72572 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.176 CC1=C(F)C=C(CO)C=N1 C77142 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.176 CC1=C(F)C=CC(CO)=N1 O10128 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [1,0,0,0,0,0|1,0,0]=2 67 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.176 CC1=CC(CCl)=CN=C1Cl 97209 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.176 CC1=CC(CO)=CN=C1C F53420 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.176 CN1C=C(CN)C=CC1=O P11875 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 W16546 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.176 FC1=C(Br)C=CC(CCl)=C1 96328 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.176 FC1=C(Cl)C=CC(CCl)=C1 CK1006 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.176 NC1=C(Cl)C=C(CO)C=N1 AT11640 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.176 OCC1=CC(Br)=C(Cl)N=C1 AC7185 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.176 OCC1=CN=C(Br)C(Cl)=C1 AT10810 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.176 OCC1=CN=C(Cl)C(F)=C1 D88117 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.56 CC(C)C1=CC(CN)=C(O)C=C1 F50674 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.56 CCC1=C(O)C=CC(B(O)O)=C1 N11749 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 N12676 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.56 COC1=C(Br)C=CC(C(=N)N)=C1 56647 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.56 COC1=C(Br)C=CC(C(C)C)=C1 D87066 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [0,1,0,0,0,0|1,0,0]=2 94 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.56 COC1=CC(B(O)O)=CN=C1Cl F17105 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.56 COC1=CC(B(O)O)=CN=C1F D71646 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br AT21522 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.56 COC1=CC(C(=O)O)=CN=C1F 91701 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.78 COC1=CC(C#N)=CN=C1OC D75059 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.78 COC1=CC(OC)=C(CS)C=C1 AT13685 [0,1,0,0,0,0|2,1,0]=4 102 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12477 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12478 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.78 COC1=CC(OC)=NC=C1CO 97682 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.78 COC1=CC=C(CN)N=C1OC F31028 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.78 COC1=CC=C(CO)N=C1OC D75064 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 AC7983 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.286 CCOC1=CC(OC)=C(N)C=C1 N14332 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63216 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.300 CCC1=C(O)C(C)=CC(C#N)=C1 85548 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 97135 [0,1,0,0,0,0|1,0,2]=4 113 B12R1.449 COC1=C(Cl)C=C(O)C(C=O)=C1 AC1919 [0,1,0,0,0,0|1,0,2]=4 114 B12R1.449 COC1=CC(OC)=C(Br)C=C1N S10834 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.453 CC(=O)C1=C(O)C=CC(CCl)=C1 F13165 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.453 CC(=O)C1=C(O)C=CC(CO)=C1 F13145 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N12705 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.453 COC1=CC([C@H](C)N)=C(O)C=C1 N14812 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.654 COC1=C(C)C(CN)=NC=C1C 52888 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.654 COC1=C(C)N=CC(CCl)=C1C P16641 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.654 COC1=C(F)C(CN)=CC=C1F D78500 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.654 COC1=C(O)C(OC)=C(Br)C=C1 N12750 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.654 COC1=CC=C(F)C(OC)=C1F F11163 [0,1,0,0,0,0|3,0,0]=4 124 B12R2.44 BrCC1=CC2=C(C=C1)CCC2 71843 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.44 BrCC1=CC2=C(C=C1)OC=C2 AC5003 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.44 ClCC1=CC2=C(C=C1)CCC2 AT13426 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.44 NCC1=CC2=C(C=C1)N=CO2 AC5137 [0,0,0,1,0,0|2,0,1]=4 128 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F13229 [0,0,0,1,0,0|2,0,1]=4 129 B12R2.44 NCC1=CC2=C(C=C1)OC=C2 F20150 [0,0,0,1,0,0|2,0,1]=4 130 B12R2.44 NCC1=CC2=C(C=C1)OC=N2 AC2206 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.44 OCC1=CC2=C(C=C1)CCC2 AT13427 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.2 COC1=CC(O)=NC=C1 F17762 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.2 COC1=CCC=C(C)C1 AC4015 [2,0,0,0,0,0|0,0,2]=4 136 B9R1.2 COC1=CN=CC(N)=C1 P11509 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.2 OCC1=CC(O)=NC=N1 59935 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 COC1=C(C)C=NC=C1 D74380 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [2,0,0,0,0,0|1,1,0]=4 146 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [2,0,0,0,0,0|1,1,0]=4 147 B9R1.69 CC1=CC(Br)=NC=C1O 96317 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.69 CC1=CC(I)=C(O)C=N1 96425 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [2,0,0,0,0,0|1,1,0]=4 150 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [2,0,0,0,0,0|1,1,0]=4 151 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [2,0,0,0,0,0|1,1,0]=4 152 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [2,0,0,0,0,0|1,1,0]=4 153 B9R1.69 CC1=CC=C(N)C(O)=N1 68793 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.69 NC1=C(O)C=CC(I)=C1 I10250 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.69 NC1=CC(O)=C(Br)C=C1 C91066 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.69 OC1=CC(I)=C(F)C=C1 79298 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.69 OC1=CC(S)=C(O)C=C1 79473 [2,0,0,0,0,0|0,1,0]=3 159 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [2,0,0,0,0,0|1,1,0]=4 161 B9R1.1 OCC1=NC=C(O)C=N1 72629 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [2,0,0,0,0,0|2,0,0]=4 163 B11R1.8 COC1=C(I)C(N)=CC(C)=N1 N10226 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.8 COC1=CC(Br)=CC(Cl)=C1F 56984 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.8 COC1=CC(Br)=CC(Cl)=C1O AC1897 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.8 COC1=CC(Br)=CC(F)=C1N AT21483 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.8 COC1=CC(C)=CC(Br)=C1N 53837 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.8 COC1=CC(Cl)=CC(Br)=C1Cl AT18856 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.8 COC1=CC(O)=CC(Br)=C1F 95330 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.37 C=CC1=C(OC)C=C(Br)C=C1 88322 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.37 COC1=C(C#N)C=CC(I)=C1 C90259 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.37 COC1=C(CO)C=CC(Br)=N1 Y10714 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.37 COC1=C(OC)N=C(Br)C=C1 AB21165 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.37 COC1=CC(Br)=CN=C1CO 97691 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.37 COC1=CC(Cl)=CN=C1OC N10224 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.37 COC1=CC(O)=CN=C1OC D75062 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.37 COC1=NC(O)=CC=C1C#N 50283 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.37 CSC1=C(CO)C=CC(Br)=C1 94653 [1,1,0,0,0,0|1,1,0]=4 181 B11R1.72 COC1=C(Br)C=CC(C)=C1Cl N12192 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.72 COC1=C(Br)C=CC(Cl)=C1C AT17643 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.72 COC1=C(Br)C=CC(F)=C1O F15494 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.72 COC1=C(F)C=CC(Br)=C1F FD10737 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.72 COC1=C(O)C=NC(F)=C1Cl 91693 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.167 CC(C)C1=C(Br)C=CC(O)=C1 57997 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.167 CC(C)C1=C(O)C=CC(N)=C1 F31161 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.167 CC1=CC(C(C)C)=C(O)C=C1 30812 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N12153 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 D81270 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.182 COCC1=C(Br)C=CC(F)=C1 N11817 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.277 CC1=C(Br)C=C(O)C(C=O)=C1 W17315 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.277 COC1=C(C)C=C(N)C(C)=C1 CL9499 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.277 COC1=C(I)C=C(Cl)C(C)=C1 58348 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.277 COC1=C(I)C=C(N)C(F)=C1 AC5469 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.277 COC1=CC(Cl)=C(Br)C=C1Cl F18820 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.277 COC1=CC(Cl)=C(Cl)C=C1N F10963 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.277 COC1=CC(F)=C(F)C=C1O F14425 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.277 COC1=CC(I)=C(C)C=C1Cl F14415 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.9 CCC1=CC(C)=CC(CC)=C1 I11339 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.9 CCC1=CC(OC)=CC(=O)O1 60933 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.9 COC1=CC(C#N)=CC(C)=C1 88823 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.9 COC1=CC(C)=CC(CBr)=C1 C90360 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.9 COC1=CC(CBr)=CC(Cl)=C1 F31067 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.9 COC1=CC(CO)=CC(Cl)=C1 F13565 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.9 COC1=CC(N)=CC(CO)=C1 C72079 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.9 COC1=NC(CO)=CC(Cl)=N1 97023 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.9 N#CC1=CC(CO)=CC(F)=C1 82002 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.189 COC1=NC=CC(CC#N)=C1 81696 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.189 COC1=NC=CC(CCN)=C1 AT18209 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.189 COCC1=CC(C#N)=CC=C1 O10889 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.266 CC(=O)C1=CC=CC(CBr)=C1 72814 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.266 CN(C)C1=CC=CC(CBr)=C1 D87630 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 N14218 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 90545 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 E72740 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.266 COC1=NC=CC([C@H](C)N)=C1 F16998 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.266 CSC1=CC([C@H](C)N)=CC=C1 N11121 [1,1,0,0,0,0|1,1,0]=4 225 B11R1.266 C[C@H](N)C1=CC=CC(CO)=N1 N14927 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.266 C[C@H](O)C1=CC(C#N)=CC=C1 AC3011 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.267 CCC1=CC=CC(CC)=C1[15NH2] D98564 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.267 CCC1=CC=CC(OC)=C1F 57989 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.267 CCC1=CC=CC(OC)=C1O O10769 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.267 COC1=C(C)C(C#N)=CC=C1 FD10708 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.267 COC1=C(C)C(CCl)=NC=C1 F15214 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.267 COC1=C(Cl)C(CO)=CC=C1 N12987 [1,1,0,0,0,0|0,0,0]=2 233 B11R1.267 COC1=C(Cl)C(CO)=CC=N1 E72782 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.267 COC1=CC=CC(CBr)=C1Cl C90795 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.267 COC1=CC=CC(OC)=C1S AT20891 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.267 O=CC1=C(Br)C(CO)=CC=C1 I11841 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.14 CC1=C(Br)C=C(CO)C=C1F 98279 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.14 O=CC1=CC(Cl)=C(O)C(O)=C1 C93174 [1,1,0,0,0,0|0,0,2]=4 239 B11R1.14 OCC1=CC(F)=C(O)C(F)=C1 W17314 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.21 CC1=C(Br)C=NC([C@H](C)O)=C1 D79321 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.21 CC1=C(Br)C=NC([C@H](C)O)=C1 D79322 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.21 CC1=C(O)C=CC([C@H](C)N)=C1 N14776 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.21 C[C@H](N)C1=CC(O)=C(F)C=C1 N14349 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.21 C[C@H](N)C1=CC(O)=C(F)C=C1 N14734 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11379 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11380 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.192 CC1=C(Cl)C=CC(CC#N)=C1 D96292 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.192 N#CCC1=CC(F)=C(O)C=C1 F13577 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.278 CC1=C(C)C(N)=C(CO)C=C1 AC4860 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.278 CC1=C(F)C=CC(CN)=C1F CK2403 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.278 CC1=CC=C(CO)C(F)=C1I 55477 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.278 NC1=C(F)C(F)=CC=C1CO W11423 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.278 OCC1=CC=C(Cl)C(Cl)=C1F AT21619 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.278 OCC1=CC=C(Cl)C(F)=C1Br 93549 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.278 OCC1=CC=C(F)C(Br)=C1Br C90831 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.279 COC1=C(F)C=C(CO)C=N1 97679 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.279 COC1=CC(O)=C(CO)C=C1 AC7760 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.279 COC1=CC=C(CO)N=C1Br F53393 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.279 COC1=CC=C(CO)N=C1I F53668 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [1,1,0,0,0,0|1,1,0]=4 268 B13R1.49 CCC1=C(O)C=CC(C(=O)OC)=C1 71709 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.49 COC1=C(C)C=CC(\C(N)=N\O)=C1 93024 [0,2,0,0,0,0|1,0,1]=4 270 B13R1.50 COC1=C(N)C=CC(C(F)(F)F)=C1 98233 [0,2,0,0,0,0|2,0,0]=4 271 B13R1.354 CCOC1=C(Br)C=CC(C(=O)O)=C1 D85821 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.354 CCOC1=C(C)C=CC(B(O)O)=C1 I12136 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.3091 COC1=C(OC)C=C([C@H](C)Cl)C=C1 92468 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.3230 COC1=C(F)C(B(O)O)=CC=C1F D71421 [0,2,0,0,0,0|2,0,0]=4 275 B13R1.386 CCCC1=CC(OC)=C(CO)C=C1 D85803 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 D87902 [0,2,0,0,0,0|0,0,1]=3 277 B13R1.386 COC1=CC(\C=N\O)=CN=C1OC D75058 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.386 COC1=CC=C(\C=N\O)N=C1OC D75061 [0,2,0,0,0,0|1,0,1]=4 279 B13R1.386 COCC1=CC(OC)=C(OC)C=N1 F12450 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.434 COC1=CC(OC)=C(CO)C(N)=C1 AC4815 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 F11610 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 C74058 [0,2,0,0,0,0|2,0,0]=4 283 B13R1.2200 COC1=C(OC)C=C(CO)C(N)=C1 AC4994 [0,2,0,0,0,0|0,0,0]=2 284 B13R1.2200 COC1=CC(Cl)=C(C#N)C=C1OC D87875 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.2430 COC1=C(B(O)O)C=C(CO)C=C1 D71538 [0,2,0,0,0,0|2,0,0]=4 286 B13R1.2430 O=[N+]([O-])C1=C(CO)C=CC(CO)=C1 T72118 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.384 CCOC1=C(O)C=CC(CCN)=C1 I11620 [0,2,0,0,0,0|1,0,0]=3 288 B13R1.2431 COC(=O)C1=C(O)C=CC(CO)=C1 D75890 [0,2,0,0,0,0|0,0,0]=2 289 B13R1.2900 CCOC1=CC(C#N)=C(Br)C=C1O 76846 [0,2,0,0,0,0|1,0,1]=4 290 B13R1.2900 COC1=C(N)C=C(C)C(CC#N)=C1 94728 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.52 COC1=C(N)C=CC(OC(F)F)=C1 D96229 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.575 COC1=C(C)C=CC(CCCO)=C1 W16773 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.1255 COC1=C(F)C(CCN)=CC=C1F O10451 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.44 COC(=O)C1=CC=C(CO)N1 D76272 [0,0,1,1,0,0|2,0,0]=4 297 B11R1.44 COC(=O)C1=CC=C(CO)O1 AT17170 [0,0,1,1,0,0|1,0,0]=3 298 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|2,0,0]=4 299 B13R2.430 C[C@H](Cl)C1=CC2=C(C=C1)OCC2 92474 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 N15488 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)CCO2 N15489 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 92495 [0,1,0,1,0,0|1,0,0]=3 303 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)CCO2 92507 [0,1,0,1,0,0|1,0,0]=3 304 B13R2.430 C[C@H](O)C1=CC2=C(C=C1)OCC2 92473 [0,1,0,1,0,0|1,0,0]=3 305 B13R2.2461 COC1=C(Cl)C=CC(C2CC2)=C1 AC9857 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.57 NNC1=CC2=C(C=C1)OCCO2 AC6897 [0,1,0,1,0,0|2,0,0]=4 307 B13R2.57 OCC1=CC2=C(C=C1)CNCC2 W14964 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.57 OCC1=CC2=C(C=C1)SCCN2 AT25306 [0,1,0,1,0,0|1,1,0]=4 309 B13R2.669 CC1=NOC2=C1C=C(CN)C=C2 F14012 [0,1,0,1,0,0|2,0,0]=4 310 B13R2.669 CCC1=CC2=C(C=C1)OCC2=O AC6735 [0,1,0,1,0,0|2,0,0]=4 311 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16570 [0,1,0,1,0,0|2,0,0]=4 312 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16571 [0,1,0,1,0,0|2,0,0]=4 313 B13R2.669 CCC1=CC2=C(C=C1)OC[C@@H]2N N16572 [0,1,0,1,0,0|2,0,0]=4 314 B13R2.669 CN1C=NC2=C1C=C(CO)C=C2 C73497 [0,1,0,1,0,0|2,0,0]=4 315 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16573 [0,1,0,1,0,0|2,0,0]=4 316 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16574 [0,1,0,1,0,0|2,0,0]=4 317 B13R2.2130 CCC1=CC2=C(C=C1)[C@@H](N)CO2 N16575 [0,1,0,1,0,0|2,0,0]=4 318 B13R2.2121 CC1=NC2=C(C=CC(CN)=C2)O1 54957 [0,1,0,1,0,0|2,0,0]=4 319 B13R2.2169 OCC1=CC(C2CC2)=C(F)C=C1 55283 [0,1,0,1,0,0|2,0,0]=4 320 B13R2.449 OCCC1=CC2=C(C=C1)OC=C2 71980 [0,1,0,1,0,0|1,0,1]=4 321 B13R2.654 COC1=CC(N)=C2OCOC2=C1 F14455 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.654 ClCC1=CC(Cl)=C2OCOC2=C1 C93176 [0,1,0,1,0,0|1,0,0]=3 323 B13R2.654 FC1=C2OCOC2=CC(CCl)=C1 C93182 [0,1,0,1,0,0|1,0,0]=3 324 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 C93175 [0,1,0,1,0,0|0,0,2]=4 325 B13R2.654 O=CC1=CC(F)=C2OCOC2=C1 C93180 [0,1,0,1,0,0|0,0,2]=4 326 B13R2.654 O=CC1=CC(O)=C2OCOC2=C1 F15182 [0,1,0,1,0,0|0,0,2]=4 327 B13R2.654 OCC1=CC(F)=C2OCOC2=C1 C93181 [0,1,0,1,0,0|0,0,0]=2 328 B9R1.21 COC1=NOC(CO)=C1 70864 [1,0,0,0,1,0|2,0,0]=4 329 B9R1.21 COC1=NSC(CO)=C1 AT21060 [1,0,0,0,1,0|2,0,0]=4 330 B11R1.265 CCC1=CC=CC(O)=C1OC O11000 [0,0,0,0,1,1|1,0,0]=3 331 B11R1.265 COC1=C(Br)C=CC=C1CO W15450 [0,0,0,0,1,1|1,0,0]=3 332 B11R1.265 COC1=C(CBr)C=CC=C1F 55557 [0,0,0,0,1,1|2,0,0]=4 333 B11R1.265 COC1=C(CCl)C=CC=C1F 55555 [0,0,0,0,1,1|2,0,0]=4 334 B11R1.265 COC1=C(CN)C=CC=C1C N12978 [0,0,0,0,1,1|2,0,0]=4 335 B11R1.265 COC1=C(CO)C=CC=C1C N12737 [0,0,0,0,1,1|1,0,0]=3 336 B11R1.265 COC1=C(F)C=CC=C1CN N14224 [0,0,0,0,1,1|2,0,0]=4 337 B11R1.265 COC1=C(O)C=CC=C1C#N 75841 [0,0,0,0,1,1|1,0,1]=4