0 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,0,0,0,0,0|1,1,1]=3 2 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.17 COCOC1=C(I)C=CN=C1 W18233 [0,0,0,0,0,0|3,1,0]=4 8 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.17 NCCCN1C=CC=CC1=O F15206 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,0,0,0,0,0|2,1,0]=3 16 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,0,0,0,0,0|2,1,0]=4 23 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.4 CNCC1=CC=CN=C1C AC2519 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.4 N#CCC1=C(Cl)C=NC=C1 AC8798 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,0,0,0,0,0|1,1,0]=3 31 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,0,0,0,0,0|1,1,0]=3 33 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,0,0,0,0,0|1,1,1]=4 34 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,0,0,0,0,0|1,1,1]=4 35 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,0,0,0,0,0|2,1,0]=4 36 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|0,0,2]=3 49 B12R1.25 CCNCC1=CC=CC(F)=C1F AC2475 [0,1,0,0,0,0|2,1,0]=4 50 B12R1.25 COCCN1C=CC=C(N)C1=O C71982 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 W12077 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.69 COCCN1C=CC(N)=CC1=O P17621 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 C71191 [0,1,0,0,0,0|2,1,0]=4 54 B12R1.69 ClCCOC1=C(Cl)C=C(Br)C=C1 W16058 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.267 FC1=C(OCCCBr)C=CC=C1 F50437 [0,1,0,0,0,0|2,1,0]=4 61 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [0,1,0,0,0,0|1,1,1]=4 62 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [0,1,0,0,0,0|1,1,0]=3 63 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y14255 [0,1,0,0,0,0|2,1,0]=4 67 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y14266 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.308 NC1=C([C@@H](N)CCO)C=CC=C1 51813 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,1,0,0,0,0|1,1,1]=4 71 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,1,0,0,0,0|0,0,1]=2 72 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,1,0,0,0,0|1,1,1]=4 73 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.371 C[C@@H](CN)OC1=C(Cl)C=CC=C1 AR3974 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,1,0,0,0,0|1,1,1]=4 77 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,1,0,0,0,0|2,1,0]=4 78 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 31606 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 31829 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.374 CCNCC1=C(O)C=CC(F)=C1 31723 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.1631 CCNCC1=C(Cl)C=CC=C1F I11017 [0,1,0,0,0,0|2,0,0]=3 83 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,0|1,0,0]=2 84 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,0|1,0,0]=2 85 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [0,0,0,1,0,0|1,0,0]=2 95 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.41 C1=CC2=C(C=C1)SCCNC2 52662 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 69935 [0,0,0,1,0,0|0,1,2]=4 103 B12R2.196 CN1C=CC2=C(O)C=CC=C21 25848 [0,0,0,1,0,0|1,0,2]=4 104 B12R2.196 CN1C=CC2=C1C=CC=C2N 51446 [0,0,0,1,0,0|1,0,2]=4 105 B12R2.196 CN1C=CC2=C1C=CN=C2Cl O11199 [0,0,0,1,0,0|1,0,2]=4 106 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 35894 [0,0,0,1,0,0|1,1,1]=4 107 B12R2.196 CN1C=NC2=C(N)C=CC=C21 O10421 [0,0,0,1,0,0|2,0,1]=4 108 B12R2.196 CN1N=CC2=C(I)C=CC=C21 P11317 [0,0,0,1,0,0|1,1,1]=4 109 B12R2.196 CN1N=CC2=C(O)C=CC=C21 24174 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.196 CN1N=CC2=C1C=CC=C2N 24173 [0,0,0,1,0,0|2,0,1]=4 111 B12R2.196 C[C@H]1CNC2=C(N)C=CC=C21 P20144 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,0,0,1,0,0|2,1,0]=4 113 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,0,0,1,0,0|2,1,0]=4 114 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,0,0,1,0,0|2,1,0]=4 115 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,0,0,1,0,0|2,1,0]=4 116 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,0,0,1,0,0|2,1,0]=4 117 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,0,0,1,0,0|2,1,0]=4 118 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,0,0,1,0,0|2,1,0]=4 121 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,0,0,1,0,0|2,1,0]=4 122 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,0,0,1,0,0|2,1,0]=4 123 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,0,0,1,0,0|3,0,0]=4 124 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,0,0,1,0,0|3,0,0]=4 125 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11240 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N16512 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,0,0,1,0,0|3,0,0]=4 130 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.196 O[C@H]1CCC2=C(Cl)C=CN=C21 26883 [0,0,0,1,0,0|3,0,0]=4 132 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,0,0,1,0,0|2,1,0]=4 133 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 AT13881 [0,0,0,1,0,0|2,1,0]=4 134 B12R2.517 ClC1=C(C2CCC2)N=CC=C1 86870 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.517 ClC1=C(C2CNC2)C=CC=C1 85612 [0,0,0,1,0,0|0,0,0]=1 136 B12R2.517 IC1=C(C2COC2)C=CC=C1 86794 [0,0,0,1,0,0|1,1,0]=3 137 B12R2.1081 BrC1=C2CCCCC2=CN=C1 84232 [0,0,0,1,0,0|2,1,0]=4 138 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,0,0,1,0,0|2,1,0]=4 139 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [0,0,0,1,0,0|1,1,0]=3 140 B12R2.1081 BrC1=C2CNCCC2=CC=C1 P10908 [0,0,0,1,0,0|2,1,0]=4 141 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [0,0,0,1,0,0|2,1,0]=4 142 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,0,0,1,0,0|2,1,0]=4 143 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,0,0,1,0,0|2,1,0]=4 144 B12R2.1081 CC1=C2CCNCC2=NC=N1 SC1111 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,0,0,1,0,0|2,0,0]=3 146 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [0,0,0,1,0,0|1,0,0]=2 148 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,0,0,1,0,0|1,0,0]=2 150 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [0,0,0,1,0,0|0,0,0]=1 151 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,0,0,1,0,0|2,0,0]=3 154 B12R2.1081 ClC1=C2OCCNC2=CC=C1 W10055 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 ClC1=NC=CC2=C1CCCN2 67470 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,0,0,1,0,0|2,1,0]=4 157 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,0,0,1,0,0|2,1,0]=4 158 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [0,0,0,1,0,0|0,1,0]=2 159 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [0,0,0,1,0,0|0,1,0]=2 160 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,0,0,1,0,0|2,1,0]=4 162 B12R2.1081 NC1=C2CNCCC2=CC=C1 81638 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.1081 NC1=NC=CC2=C1CCCC2 53695 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.1081 O=C1NC=CC2=C1CCNC2 67507 [0,0,0,1,0,0|2,0,0]=3 169 B12R2.1081 O=C1NC=NC2=C1CCNC2 SC3281 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.1081 OC1=C2CCCCC2=NC=C1 C16516 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [0,0,0,1,0,0|1,0,0]=2 173 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [0,0,0,1,0,0|1,0,0]=2 174 B12R2.1081 OC1=C2CNCCC2=CC=C1 F19176 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.8 BrCCC1=CC=NC=C1 C71689 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.8 CCNC1=CC=CN=C1 C15578 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.8 CNCC1=CN=NC=C1 P16258 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 CNCC1=NC=CC=N1 W11490 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.8 ClCCC1=CC=NC=C1 O11064 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 NCCC1=NC=CC=N1 P15951 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 NCCC1=NC=CN=C1 AR1061 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 NCCC1=NC=NC=C1 P18517 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 NNCC1=CC=CN=C1 78930 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 NNCC1=CC=NC=C1 37009 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.8 NNCC1=CC=NC=C1 BL009189 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 NNCC1=NC=CC=C1 78929 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|1,0,1]=4 190 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|0,0,2]=4 191 B9R1.15 CC1=CC=CN=C1CN C72913 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.15 CC1=NC=CC=C1CN 72802 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 CC1=NC=CC=C1CN AB7634 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [2,0,0,0,0,0|1,1,0]=4 195 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [2,0,0,0,0,0|1,1,0]=4 196 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [2,0,0,0,0,0|0,1,0]=3 197 B9R1.15 CCC1=C(O)C=CC=N1 71246 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.15 CCC1=CC=CN=C1Br D80252 [2,0,0,0,0,0|1,1,0]=4 199 B9R1.15 CCC1=CC=CN=C1N 55791 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.15 CCC1=CC=NN=C1Cl S11385 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.15 CNC1=C(I)C=NC=C1 D83398 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 CNC1=C(N)C=NC=C1 C73540 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 CNC1=CC=CN=C1N 94808 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 CNC1=NC=CC=C1N 72351 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [2,0,0,0,0,0|1,1,0]=4 210 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [2,0,0,0,0,0|1,1,0]=4 211 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [2,0,0,0,0,0|1,1,0]=4 212 B9R1.15 NCC1=C(Br)C=NC=C1 O10077 [2,0,0,0,0,0|1,1,0]=4 213 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.15 NCC1=C(Cl)C=NC=C1 D79765 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.15 NCC1=C(Cl)C=NC=C1 F50132 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.15 NCC1=C(F)C=CC=N1 37501 [2,0,0,0,0,0|1,1,0]=4 218 B9R1.15 NCC1=C(F)C=CC=N1 71993 [2,0,0,0,0,0|1,1,0]=4 219 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [2,0,0,0,0,0|1,1,0]=4 220 B9R1.15 NCC1=C(F)C=NC=C1 26837 [2,0,0,0,0,0|1,1,0]=4 221 B9R1.15 NCC1=C(F)C=NC=C1 78901 [2,0,0,0,0,0|1,1,0]=4 222 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [2,0,0,0,0,0|0,1,0]=3 223 B9R1.15 NCC1=CC=CN=C1Br D82416 [2,0,0,0,0,0|1,1,0]=4 224 B9R1.15 NCC1=CC=CN=C1Cl 51113 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.15 NCC1=CC=CN=C1N 89358 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.15 NCC1=CC=CN=C1O 55767 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.15 NCC1=NC=CC=C1N AC4283 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [2,0,0,0,0,0|1,1,0]=4 229 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [2,0,0,0,0,0|1,0,1]=4 230 B11R1.13 CCNC1=CC=CC(Cl)=C1Cl AB1375 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.13 CCOC1=C(N)C(N)=CC=C1 79683 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.13 CCOC1=CC=CC(F)=C1N D84510 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.13 CNCC1=CC=CC(Cl)=C1Cl 23580 [1,1,0,0,0,0|0,0,0]=2 234 B11R1.13 CNCC1=CC=CC(Cl)=C1F 36790 [1,1,0,0,0,0|0,1,0]=3 235 B11R1.13 CNCC1=CC=CC(Cl)=C1F 76700 [1,1,0,0,0,0|0,1,0]=3 236 B11R1.13 CNCC1=CC=CC(F)=C1F AC1201 [1,1,0,0,0,0|0,1,0]=3 237 B11R1.13 COCC1=CC=CC(Br)=C1F 79640 [1,1,0,0,0,0|1,1,0]=4 238 B11R1.13 NCCC1=CC=CC(F)=C1F Y13621 [1,1,0,0,0,0|0,1,0]=3 239 B11R1.13 OCCC1=CC=CC(F)=C1F A11216 [1,1,0,0,0,0|1,1,0]=4 240 B11R1.41 CCSC1=C(C=O)C=CC=C1 W12314 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.41 COC1=C(CCN)C=CC=C1 C11486 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.41 COC1=C(CCN)C=CN=C1 F13309 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.41 COC1=C(CCN)C=CN=C1 W19534 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.41 N#CC1=C(CCBr)C=CC=C1 C71089 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.41 N#CCC1=C(CCl)C=CC=C1 75268 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.81 CCCC1=C(O)C=C(O)C=C1 C73634 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 C75445 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.81 CCOC1=C(F)C=C(O)C=C1 36938 [1,1,0,0,0,0|1,1,0]=4 251 B11R1.81 COCC1=C(Br)C=C(F)C=C1 N11828 [1,1,0,0,0,0|1,1,0]=4 252 B11R1.81 COCC1=C(F)C=C(N)C=C1 I10129 [1,1,0,0,0,0|1,1,0]=4 253 B11R1.81 COCC1=C(N)C=C(Br)C=C1 CL9392 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.81 COCC1=CC=C(Cl)N=C1Cl W10447 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.81 ClC1=CC(Br)=C(CCBr)C=C1 O10665 [1,1,0,0,0,0|1,1,0]=4 256 B11R1.81 ClC1=CC(Cl)=C(CCBr)C=C1 C77752 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.81 OCCC1=C(Cl)C=C(Br)C=C1 F50644 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.81 OCCC1=C(Cl)C=C(F)C=C1 CL8845 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [1,1,0,0,0,0|0,1,0]=3 262 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.182 COCC1=C(F)C=CC(Br)=C1 N10199 [1,1,0,0,0,0|1,1,0]=4 267 B11R1.182 COCC1=C(N)C=CC(N)=C1 C74735 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.182 OCCC1=C(F)C=CC(F)=C1 A50721 [1,1,0,0,0,0|1,1,0]=4 269 B11R1.182 OCCC1=C(O)C=CC(Br)=C1 W15209 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [1,1,0,0,0,0|0,0,0]=2 283 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [1,1,0,0,0,0|0,1,0]=3 285 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [1,1,0,0,0,0|0,1,0]=3 286 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [1,1,0,0,0,0|0,0,0]=2 293 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [1,1,0,0,0,0|0,0,0]=2 294 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [1,1,0,0,0,0|0,1,0]=3 296 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [1,1,0,0,0,0|0,1,0]=3 297 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [1,1,0,0,0,0|1,1,0]=4 299 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [1,1,0,0,0,0|1,1,0]=4 300 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [1,1,0,0,0,0|1,1,0]=4 301 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [1,1,0,0,0,0|1,1,0]=4 302 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 C73732 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [1,1,0,0,0,0|1,1,0]=4 308 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [1,1,0,0,0,0|1,1,0]=4 309 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [1,1,0,0,0,0|1,1,0]=4 310 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [1,1,0,0,0,0|1,1,0]=4 311 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [1,1,0,0,0,0|1,1,0]=4 312 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.605 CCNC1=C(Cl)C=CC=C1Cl AB1378 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl 23581 [1,1,0,0,0,0|0,0,0]=2 315 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|0,0,0]=2 323 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,1,0,0,0,0|1,0,1]=4 331 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|0,0,0]=2 358 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,1,0,0,0,0|1,0,1]=4 364 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,1,0,0,0,0|1,0,1]=4 365 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,1,0,0,0,0|1,0,1]=4 371 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.369 CCCCOC1=C(Cl)C=C(Br)C=C1 D94467 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(F)C=C1 N11314 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(F)C=C1 Y11998 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.1511 CCC[C@H](N)C1=C(C)C=C(F)C=C1 Y11999 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.2679 CC[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 F20135 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.2679 COC(=O)CC1=C(Cl)C=C(Br)C=C1 76646 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.2679 N#C[C@@H](N)CC1=C(Cl)C=C(Cl)C=C1 A51214 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.2679 NNC(=O)CC1=C(Cl)C=C(F)C=C1 C76969 [0,2,0,0,0,0|1,0,1]=4 381 B13R1.84 CCCNCC1=C(OC)C=CC=C1 C78481 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.84 CNCCOC1=C(OC)C=CC=C1 75248 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.91 COC(=O)CC1=C(CCl)C=CC=C1 71911 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.485 CCOC1=C(CNNC)C=CC=C1 30194 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.572 COCCC1=C(C(=O)O)C=CC=C1 93002 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.201 CC(C)C[C@H](N)C1=C(N)C=CC=C1 F52561 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,2,0,0,0,0|2,0,0]=4 392 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [0,2,0,0,0,0|0,1,0]=3 395 B13R1.158 CN(C)CCOC1=C(Br)C=CC=C1 A11193 [0,2,0,0,0,0|0,1,0]=3 396 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.674 CCCCC(=O)C1=C(F)C=CC=C1 N13949 [0,2,0,0,0,0|1,1,0]=4 398 B13R1.8919 OCCOCC1=C(Cl)C=CC=C1Cl F11611 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.446 C=CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12877 [0,2,0,0,0,0|1,0,1]=4 400 B13R1.446 C=CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12909 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.446 C=CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12936 [0,2,0,0,0,0|1,0,1]=4 402 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12264 [0,2,0,0,0,0|1,1,0]=4 403 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13330 [0,2,0,0,0,0|1,1,0]=4 404 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13336 [0,2,0,0,0,0|1,1,0]=4 405 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y11992 [0,2,0,0,0,0|1,1,0]=4 406 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12041 [0,2,0,0,0,0|1,1,0]=4 407 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13017 [0,2,0,0,0,0|1,1,0]=4 408 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12444 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(C)=C1 Y12445 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12605 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13328 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y13334 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12168 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12169 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.446 CCC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12932 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12949 [0,2,0,0,0,0|1,1,0]=4 417 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y11996 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y11997 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.446 CCC[C@H](N)C1=C(O)C=CC(F)=C1 Y13006 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.696 COC(=O)[C@H](Cl)C1=C(Cl)C=CC=C1 23218 [0,2,0,0,0,0|1,0,1]=4 421 B13R1.696 COC(=O)[C@H](N)C1=C(Cl)C=CC=C1 Y11155 [0,2,0,0,0,0|1,0,1]=4 422 B13R1.696 COC(=O)[C@H](O)C1=C(Cl)C=CC=C1 I11790 [0,2,0,0,0,0|1,0,1]=4 423 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y12320 [0,2,0,0,0,0|1,1,0]=4 424 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y12856 [0,2,0,0,0,0|1,1,0]=4 425 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y13332 [0,2,0,0,0,0|1,1,0]=4 426 B13R1.2872 COC(=O)CC1=C(Cl)C=CC(Br)=C1 N13173 [0,2,0,0,0,0|1,0,1]=4 427 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [0,0,1,1,0,0|2,0,0]=4 428 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [1,0,0,1,0,0|1,0,0]=3 429 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [1,0,0,1,0,0|1,0,0]=3 430 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|1,0,1]=4 431 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,1,0,0|2,0,0]=4 432 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,1,0,0|2,0,0]=4 433 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,1,0,0|2,0,0]=4 434 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [1,0,0,1,0,0|2,0,0]=4 435 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|2,0,0]=4 436 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.55 BrC1=C(C2CC2)N=CC=C1 AC7391 [1,0,0,1,0,0|1,1,0]=4 438 B11R2.55 BrC1=NC=CC=C1C2CC2 O10674 [1,0,0,1,0,0|1,1,0]=4 439 B11R2.55 ClC1=NC=CC=C1C2CC2 C76816 [1,0,0,1,0,0|1,0,0]=3 440 B11R2.55 ClC1=NC=CN=C1C2CC2 96959 [1,0,0,1,0,0|2,0,0]=4 441 B11R2.55 FC1=NC=CC=C1C2CC2 F16374 [1,0,0,1,0,0|1,1,0]=4 442 B11R2.55 NC1=NC=CC=C1C2CC2 92679 [1,0,0,1,0,0|2,0,0]=4 443 B11R2.55 O=C1NC=CC=C1C2CC2 N13207 [1,0,0,1,0,0|2,0,0]=4 444 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [1,0,0,1,0,0|0,1,0]=3 445 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [1,0,0,1,0,0|1,0,0]=3 446 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [1,0,0,1,0,0|0,0,2]=4 447 B11R2.106 ClC1=C2CCCC2=NC=C1 85955 [1,0,0,1,0,0|1,0,0]=3 448 B11R2.106 ClC1=C2CCNC2=NC=C1 P15393 [1,0,0,1,0,0|1,0,0]=3 449 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [1,0,0,1,0,0|1,0,0]=3 450 B11R2.106 ClC1=C2CNCC2=CC=C1 SC1314 [1,0,0,1,0,0|0,0,0]=2 451 B11R2.106 ClC1=NC=CC2=C1CCN2 38710 [1,0,0,1,0,0|1,0,0]=3 452 B11R2.106 ClC1=NC=CC2=C1CCN2 83058 [1,0,0,1,0,0|1,0,0]=3 453 B11R2.106 ClC1=NC=CC2=C1CNC2 D97048 [1,0,0,1,0,0|1,0,0]=3 454 B11R2.106 ClC1=NC=NC2=C1CCN2 26722 [1,0,0,1,0,0|2,0,0]=4 455 B11R2.106 ClC1=NC=NC2=C1CNC2 P17445 [1,0,0,1,0,0|2,0,0]=4 456 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [1,0,0,1,0,0|0,1,0]=3 457 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [1,0,0,1,0,0|0,1,0]=3 458 B11R2.106 IC1=C2CCNC2=NC=C1 P20936 [1,0,0,1,0,0|1,1,0]=4 459 B11R2.106 NC1=C2CCCC2=NC=C1 27386 [1,0,0,1,0,0|2,0,0]=4 460 B11R2.106 NC1=C2NCCC2=CC=C1 AC5784 [1,0,0,1,0,0|2,0,0]=4 461 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [1,0,0,1,0,0|2,0,0]=4 462 B11R2.106 NC1=CC=CC2=C1CCN2 O11831 [1,0,0,1,0,0|1,0,0]=3 463 B11R2.106 NC1=CC=CC2=C1CNC2 62888 [1,0,0,1,0,0|1,0,0]=3 464 B11R2.106 NC1=CC=CC2=C1CNC2 C90573 [1,0,0,1,0,0|1,0,0]=3 465 B11R2.106 O=C1C=CC=C2NCCN12 O10575 [1,0,0,1,0,0|2,0,0]=4 466 B11R2.106 OC1=C2CCNC2=CC=C1 76585 [1,0,0,1,0,0|1,0,0]=3 467 B11R2.106 OC1=C2NCCC2=CC=C1 D82764 [1,0,0,1,0,0|2,0,0]=4 468 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|1,0,1]=4 469 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 470 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|0,0,0]=2 471 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [1,0,0,1,0,0|1,0,1]=4 472 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|2,0,0]=4 473 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|2,0,0]=4 474 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|1,0,0]=3 475 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|2,0,0]=4 476 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|2,0,0]=4 477 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|2,0,0]=4 479 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|2,0,0]=4 480 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|2,0,0]=4 481 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|2,0,0]=4 482 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [1,0,0,1,0,0|1,0,0]=3 483 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [1,0,0,1,0,0|2,0,0]=4 484 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|0,0,0]=2 485 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|1,0,0]=3 486 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|2,0,0]=4 487 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [1,0,0,1,0,0|1,0,0]=3 488 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [1,0,0,1,0,0|1,0,0]=3 490 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [1,0,0,1,0,0|2,0,0]=4 491 B13R2.32 CC1=C(O)C=CC2=C1CCNC2 54032 [0,1,0,1,0,0|1,0,0]=3 492 B13R2.32 FC1=C(Br)C=CC2=C1CCNC2 W10907 [0,1,0,1,0,0|0,1,0]=3 493 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,1,0,0|1,0,1]=4 494 B13R2.3022 FC1=C(F)C(C2CNC2)=CC=C1 85619 [0,1,0,1,0,0|0,1,0]=3 495 B13R2.4820 BrC1=C2CCCCNC2=CC=C1 69218 [0,1,0,1,0,0|1,1,0]=4 496 B13R2.4820 CC1=CC=CC2=C1NCCNC2 63890 [0,1,0,1,0,0|1,0,0]=3 497 B13R2.4820 ClC1=C2NCCNCC2=CC=C1 57708 [0,1,0,1,0,0|0,0,0]=2 498 B13R2.5180 CC1=C(Cl)C2=C(C=C1)C(=O)CC2 F52800 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.5180 N[C@H]1CCC2=C1C=CC(Cl)=C2Cl Y11816 [0,1,0,1,0,0|2,0,0]=4 500 B13R2.5180 O=C1CCC2=C1C=CC(Br)=C2Cl N11344 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Cl F52754 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 38466 [0,1,0,1,0,0|1,0,0]=3 503 B13R2.155 CN1CCC2=NC=C(N)C=C2C1 34303 [0,1,0,1,0,0|2,0,0]=4 504 B13R2.328 ClC1=CC(Cl)=C2CCNCC2=C1 68030 [0,1,0,1,0,0|0,0,0]=2 505 B13R2.328 ClC1=CC(Cl)=C2CCNCC2=C1 84340 [0,1,0,1,0,0|0,0,0]=2 506 B13R2.328 ClC1=CC(Cl)=NC2=C1CCCC2 39107 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.328 ClC1=NC(Cl)=C2CCNCC2=N1 SC3141 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.328 FC1=CC(F)=C2CCCCC2=C1 Y13362 [0,1,0,1,0,0|1,1,0]=4 509 B13R2.3742 N[C@H]1CCC2=C(Cl)C=C(Br)C=C21 Y13070 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.3742 O=C1CCC2=C(Cl)C=C(Cl)C=C12 F52750 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 91524 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 C72386 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.1613 BrCC1=C2CCCCC2=CC=C1 32180 [0,1,0,1,0,0|1,1,0]=4 516 B13R2.1613 COC1=C2CCCCC2=CC=C1 72829 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.1613 COC1=C2CCNCC2=CC=C1 90366 [0,1,0,1,0,0|1,0,0]=3 518 B13R2.1613 N#CC1=C2CCNCC2=CC=C1 66523 [0,1,0,1,0,0|1,0,0]=3 519 B13R2.1613 OCC1=C2CCCCC2=CC=C1 36389 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.216 OC1CC(C2=C(Cl)C=CC=C2)C1 AC1660 [0,1,0,1,0,0|1,0,0]=3 521 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.3587 FC1=C(OC[C@H]2CO2)C=CC=C1 28298 [0,1,0,1,0,0|1,1,0]=4 523 B13R2.3587 NC1=C(OCC2CC2)C=CC=C1 F21206 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.4848 CC1(C)CCC2=C(N)C=CC=C21 Y14422 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 F14432 [0,1,0,1,0,0|1,0,0]=3 526 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,1,0,1,0,0|1,1,0]=4 528 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,1,0,0|1,0,0]=3 529 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11180 [0,1,0,1,0,0|1,1,0]=4 530 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11181 [0,1,0,1,0,0|1,1,0]=4 531 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11214 [0,1,0,1,0,0|1,1,0]=4 532 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11215 [0,1,0,1,0,0|1,1,0]=4 533 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 28293 [0,1,0,1,0,0|0,1,0]=3 534 B13R2.18 BrC1=C([C@H]2CCNC2)C=CC=C1 N10931 [0,1,0,1,0,0|0,1,0]=3 535 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 AR1046 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 I11373 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10470 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10768 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 AB1344 [0,1,0,1,0,0|1,0,0]=3 540 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16861 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16959 [0,1,0,1,0,0|1,0,0]=3 542 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11034 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11068 [0,1,0,1,0,0|1,0,0]=3 544 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 33974 [0,1,0,1,0,0|1,1,0]=4 545 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11184 [0,1,0,1,0,0|1,1,0]=4 546 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11185 [0,1,0,1,0,0|1,1,0]=4 547 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11216 [0,1,0,1,0,0|1,1,0]=4 548 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11217 [0,1,0,1,0,0|1,1,0]=4 549 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C14895 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 N11372 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.26 CNCC1=NC2=C(C=CC=C2)S1 71599 [0,1,0,1,0,0|1,0,1]=4 552 B13R2.26 COC[C@H]1CC2=C(C=CC=C2)N1 20875 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11006 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N N11007 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11342 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y13380 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.342 CC1=CC=CC2=C1CCNC2=O 28056 [0,1,0,1,0,0|1,0,1]=4 558 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 F16968 [0,1,0,1,0,0|1,1,0]=4 559 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10659 [0,1,0,1,0,0|1,1,0]=4 560 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 I10755 [0,1,0,1,0,0|1,1,0]=4 561 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y10699 [0,1,0,1,0,0|1,1,0]=4 562 B13R2.342 N[C@H]1CCCC2=C(Br)C=CC=C21 Y11052 [0,1,0,1,0,0|1,1,0]=4 563 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10392 [0,1,0,1,0,0|1,0,0]=3 564 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10723 [0,1,0,1,0,0|1,0,0]=3 565 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10724 [0,1,0,1,0,0|1,0,0]=3 566 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10818 [0,1,0,1,0,0|1,0,0]=3 567 B13R2.342 N[C@H]1CCCC2=C(Cl)C=CC=C21 Y10819 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N10491 [0,1,0,1,0,0|1,1,0]=4 569 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 N11008 [0,1,0,1,0,0|1,1,0]=4 570 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10882 [0,1,0,1,0,0|1,1,0]=4 571 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y10920 [0,1,0,1,0,0|1,1,0]=4 572 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y11819 [0,1,0,1,0,0|1,1,0]=4 573 B13R2.342 N[C@H]1CCCC2=C(F)C=CC=C21 Y12018 [0,1,0,1,0,0|1,1,0]=4 574 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 I11330 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 I11334 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 I11433 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 Y10799 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.342 N[C@H]1CCOC2=C(Cl)C=CC=C21 Y13297 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 C74186 [0,1,0,1,0,0|0,1,1]=4 580 B13R2.342 O=C1NCCC2=C1C=CC=C2O F11844 [0,1,0,1,0,0|1,0,1]=4 581 B13R2.342 O[C@H]1CCCC2=C(Br)C=CC=C21 32335 [0,1,0,1,0,0|1,1,0]=4 582 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 F16879 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 Y11145 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.3097 N[C@H](C1=C(Cl)C=CC=C1)C2CC2 D81571 [0,1,0,1,0,0|1,0,0]=3 585 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 Y10275 [0,1,0,1,0,0|1,1,0]=4 586 B13R2.3097 N[C@H](C1=C(F)C=CC=C1)C2CC2 Y10276 [0,1,0,1,0,0|1,1,0]=4 587 B13R2.3569 CC1(C2=C(O)C=CC=C2)COC1 F31365 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.4818 N[C@H]1CCCC2=CC=CC(F)=C21 Y10845 [0,1,0,1,0,0|1,1,0]=4 589 B13R2.4818 O=C1CCCC2=CC=CC(Cl)=C12 58275 [0,1,0,1,0,0|1,0,1]=4 590 B13R2.217 OC1(CC2=C(Cl)C=CC=C2)CC1 P11938 [0,1,0,1,0,0|1,0,0]=3 591 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 82076 [0,1,0,1,0,0|0,1,1]=4 592 B13R2.371 FC1=C2CCCCC2=C(Br)C=C1 D81541 [0,1,0,1,0,0|1,1,0]=4 593 B13R2.371 FC1=C2CCNCC2=C(F)C=C1 11449 [0,1,0,1,0,0|0,1,0]=3 594 B13R2.371 NC1=C2CNCCC2=C(Br)C=C1 C72060 [0,1,0,1,0,0|0,1,0]=3 595 B13R2.3683 CN1CCC2=C(C=CC(F)=C2)C1 D80158 [0,1,0,1,0,0|1,0,0]=3 596 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 Y11307 [0,1,0,1,0,0|1,0,0]=3 597 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 F14525 [0,1,0,1,0,0|1,0,0]=3 598 B13R2.3683 C[C@H]1CCC2=C(C=CC(N)=C2)N1 W10064 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.5151 O=C1CCC2=C(Cl)C=CC(Br)=C12 F52757 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.5151 O=C1CCC2=C(Cl)C=CC(Cl)=C12 F52751 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.5151 O=C1CCC2=C(Cl)C=CC(F)=C12 F52755 [0,1,0,1,0,0|2,0,0]=4 602 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,2,0,0|2,0,0]=4 603 B9R1.33 CN1C=CC=C1CCN 70855 [1,0,0,0,1,0|2,0,0]=4 604 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|2,0,0]=4