0 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,0,0,0,0,0|1,1,1]=4 4 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,0,0,0,0,0|2,1,0]=4 7 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,0,0,0,0,0|2,1,0]=4 9 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,0,0,0,0,0|2,1,0]=4 12 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.90 COC1=C(CNC(C)C)C=CC=C1 C78446 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.164 O=C(O)CCC1=C(Cl)C=C(Br)C=C1 F52871 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.164 O=C(O)CCC1=C(Cl)C=C(O)C=C1 75610 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.201 CC(C)CC(=O)C1=C(Cl)C=CC=C1 F10466 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.201 CC(C)C[C@H](C)C1=C(N)C=CC=C1 C13510 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.201 CC(C)C[C@H](N)C1=C(N)C=CC=C1 F52561 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.201 C[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 F30270 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58172 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.201 N[C@@H](CC(=O)O)C1=C(Cl)C=CC=C1 58173 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O N14210 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O Y11804 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.893 CC1=CC(OCC(C)C)=C(N)C=C1 W16233 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.216 OC1CC(C2=C(Cl)C=CC=C2)C1 AC1660 [0,0,0,1,0,0|2,0,0]=3 29 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.435 CN(C)C1=NC2=C(C=CC=C2)S1 A10873 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.3587 NC1=C(OCC2CC2)C=CC=C1 F21206 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.4848 CC1(C)CCC2=C(N)C=CC=C21 Y14422 [0,0,0,1,0,0|2,0,0]=3 33 B13R2.4848 CC1(C)CNC2=C(Br)C=CC=C21 85452 [0,0,0,1,0,0|2,1,0]=4 34 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 F14432 [0,0,0,1,0,0|1,0,0]=2 35 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,0,0,1,0,0|2,1,0]=4 37 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [0,0,0,0,1,0|2,1,0]=4 41 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,0,0,0,1,0|2,0,0]=3 42 B13R1.158 CC(=O)NCCC1=C(Br)C=CC=C1 W16283 [0,0,0,0,0,1|2,1,0]=4 43 B13R1.158 CC(C)=CCOC1=C(C)C=CC=C1 D94395 [0,0,0,0,0,1|2,0,1]=4 44 B13R1.158 CN(C)CCOC1=C(Br)C=CC=C1 A11193 [0,0,0,0,0,1|0,1,0]=2 45 B13R1.158 O=C(O)CCOC1=C(Cl)C=CC=C1 W12416 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.4 CC1=CC=CN=C1CCN C80033 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.4 CNCC1=CC=CN=C1C AC2519 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [2,0,0,0,0,0|1,1,0]=4 52 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [2,0,0,0,0,0|1,1,0]=4 54 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.17 CNNCC1=CC=CN=C1 30189 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|0,0,2]=4 63 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [1,1,0,0,0,0|1,1,0]=4 64 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y14266 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [1,1,0,0,0,0|0,0,1]=3 70 B12R1.1631 CCNCC1=C(Cl)C=CC=C1F I11017 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 C90141 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.124 CC(C)C(=O)C1=C(Cl)C=CC=C1 N12696 [0,1,0,0,1,0|1,0,1]=4 87 B12R1.124 CN(C)C(=O)C1=C(Br)C=CC=C1 D71121 [0,1,0,0,1,0|0,1,1]=4 88 B12R1.127 CC(C)CC1=C(O)C=CC(O)=C1 A11730 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=C1 D76801 [0,1,0,0,1,0|1,1,0]=4 90 B12R1.151 CC(C)(O)CC1=C(Cl)C=CC=C1 P11161 [0,1,0,0,1,0|1,0,0]=3 91 B12R1.151 CC1=C(CC(C)(C)N)C=CC=C1 53104 [0,1,0,0,1,0|2,0,0]=4 92 B14R1.96 CN(C)CCOC1=C(C=O)C=CC=C1 N12385 [0,1,0,0,0,1|1,0,0]=3 93 B14R1.160 CC(C)NC[C@H](O)C1=C(Cl)C=CC=C1 C90468 [0,1,0,0,0,1|1,0,0]=3 94 B14R1.242 CS(=O)(=O)OCCC1=C(Cl)C=CC=C1 W12436 [0,1,0,0,0,1|2,0,0]=4 95 B14R1.4464 CN(C)CCOC1=C(N)C=C(Cl)C=C1 F21269 [0,1,0,0,0,1|1,0,0]=3 96 B14R1.6072 CN(C)CCOC1=C(N)C=CC(Br)=C1 AB10099 [0,1,0,0,0,1|1,0,0]=3 97 B14R1.5805 CC(C)C[C@](C)(O)C1=C(N)C=CC=C1 C13529 [0,2,0,0,0,0|2,0,0]=4 98 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [1,0,0,1,0,0|1,0,0]=3 99 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.517 ClC1=C(C2CCC2)N=CC=C1 86870 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.517 ClC1=C(C2CNC2)C=CC=C1 85612 [1,0,0,1,0,0|0,0,0]=2 107 B12R2.517 IC1=C(C2COC2)C=CC=C1 86794 [1,0,0,1,0,0|1,1,0]=4 108 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [1,0,0,1,0,0|1,1,0]=4 109 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [1,0,0,1,0,0|1,0,0]=3 111 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [1,0,0,1,0,0|1,0,0]=3 112 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [1,0,0,1,0,0|0,0,0]=2 113 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [1,0,0,1,0,0|0,1,0]=3 117 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [1,0,0,1,0,0|0,1,0]=3 118 B12R2.1081 O=C1NC=CC2=C1CCNC2 67507 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [1,0,0,1,0,0|2,0,0]=4 126 B12R2.202 CN1C=C2C=CC=C(Cl)C2=N1 D97309 [0,0,0,1,1,0|1,0,1]=4 127 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [0,0,0,1,1,0|2,0,0]=4 128 B14R2.256 O=C1C[C@H](C2=C(Cl)C=CC=C2)CN1 65781 [0,0,0,1,0,1|2,0,0]=4 129 B14R2.768 CN(C)CC1=CC2=C(C=CC=C2)N1 F52720 [0,0,0,1,0,1|1,0,1]=4 130 B14R2.2 CN(C)CN1C=CC2=C1C=CC=C2 P20211 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.6175 CC1(C)CCC2=C(C=CC=C2)C1=O H11153 [0,1,0,1,0,0|2,0,0]=4 132 B14R2.8052 C[C@H]1CC(C)(C)C2=CC=CC(N)=C21 F17604 [0,1,0,1,0,0|2,0,0]=4 133 B14R2.29496 CC1(C)C[C@H](N)C2=C(C=CC=C2)O1 F53096 [0,1,0,1,0,0|2,0,0]=4 134 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 C75062 [0,1,0,1,0,0|2,0,0]=4 135 B14R2.29496 C[C@H]1CC(C)(C)NC2=C1C=CC=C2 W16294 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O C11953 [0,1,0,1,0,0|1,0,1]=4 137 B14R2.8038 CN1C(=O)CCC2=C(Cl)C=CC=C21 66295 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,0,0,0,2,0|2,0,0]=4 139 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,0,0,0,2,0|1,1,0]=4 140 B10R1.61 CN(C)C1=C(Br)C=NC=C1 F19675 [0,0,0,0,2,0|1,1,0]=4 141 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,0,0,0,2,0|2,0,0]=4 142 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,0,0,0,2,0|2,0,0]=4 143 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,0,0,0,2,0|2,0,0]=4 144 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,0,0,0,2,0|2,0,0]=4 145 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,0,0,0,2,0|2,0,0]=4