0 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.286 CCOC1=CC(OC)=C(N)C=C1 N14332 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63216 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.189 COC1=NC=CC(CC#N)=C1 81696 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.189 COC1=NC=CC(CCN)=C1 AT18209 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.192 CC1=C(Cl)C=CC(CC#N)=C1 D96292 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 N#CCC1=CC(F)=C(O)C=C1 F13577 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.192 O=CCC1=CC(Cl)=C(Cl)C=C1 25894 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.280 COC1=C(Br)C=CC(C=O)=N1 D70757 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=C(F)C=CC(CN)=N1 C14467 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 COC1=C(S)C=CC(C=O)=C1 AT20890 [1,0,0,0,0,0|1,1,0]=3 17 B11R1.280 COC1=CC(CBr)=CN=C1Cl 91756 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.280 COC1=CC(CCl)=NC=C1C C16782 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.280 COC1=CC(CO)=CN=C1Cl 91755 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.280 COC1=CC=C(O)C(OC)=N1 C16610 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COC1=[N+]([O-])C=CC(CO)=C1 C92064 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.384 CCOC1=C(O)C=CC(CCN)=C1 I11620 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.386 CCCC1=CC(OC)=C(CO)C=C1 D85803 [0,1,0,0,0,0|0,0,2]=3 26 B13R1.386 COC1=C(OC)C=C(\C=N\O)C=C1 D87902 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.386 COCC1=CC(OC)=C(OC)C=N1 F12450 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.575 COC1=C(C)C=CC(CCCO)=C1 W16773 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.1255 COC1=C(F)C(CCN)=CC=C1F O10451 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.2900 COC1=C(N)C=C(C)C(CC#N)=C1 94728 [0,1,0,0,0,0|2,0,1]=4 31 B13R2.121 COC1=C(Br)C=NC2=C1C=CN2 P11659 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.599 COC1=C(I)C=C2C=NNC2=C1 76298 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.2461 COC1=C(Cl)C=CC(C2CC2)=C1 AC9857 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.172 CCC1=CC=CC(CO)=C1 D85939 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.172 CNC1=CC=CC(CO)=C1 AT21037 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.172 COC1=CC=CC(CCl)=N1 81766 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.172 COC1=NC(CN)=CC=C1 79028 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.172 CSC1=CC(CN)=CC=C1 N14326 [2,0,0,0,0,0|1,1,0]=4 45 B10R1.176 CC1=C(Br)C=CC(CCl)=C1 D87322 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [2,0,0,0,0,0|0,0,1]=3 50 B10R1.176 CCC1=NC(C)=C(O)C=C1 76361 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.176 NCC1=CC(O)=C(N)C=C1 F13360 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [2,0,0,0,0,0|1,1,0]=4 58 B12R1.280 COC1=C(O)C(CC#N)=CC=C1 S10158 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.280 COC1=C(O)C(CCN)=CC=C1 F30665 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.382 CCNCC1=CC=CC(OC)=C1 F16322 [1,1,0,0,0,0|0,0,2]=4 61 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [1,1,0,0,0,0|0,0,1]=3 62 B12R1.435 C=C[C@H](N)C1=CC(CC)=CC=C1 N15271 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.435 C=C[C@H](N)C1=CC(CC)=CC=C1 N15272 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.435 C=C[C@H](N)C1=CC(CC)=CC=C1 N15273 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15286 [1,1,0,0,0,0|0,0,0]=2 66 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15287 [1,1,0,0,0,0|0,0,0]=2 67 B12R1.435 C=C[C@H](N)C1=CC=CC(OC)=C1 N15288 [1,1,0,0,0,0|0,0,0]=2 68 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 N11148 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.435 CC[C@H](O)C1=CC=CC(OC)=C1 N12603 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.435 COC1=CC([C@@H](C)CN)=CC=C1 W13097 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.435 COC1=CC([C@@H](C)CN)=CC=C1 W19078 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13477 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13478 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13479 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13485 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13486 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.435 COC1=CC([C@@H](N)CN)=CC=C1 N13487 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.435 COC1=CC([C@@H](O)CN)=CC=C1 C78115 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 F13308 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 N10869 [1,1,0,0,0,0|0,0,2]=4 81 B12R1.438 COC1=CC=CC(NC(C)=S)=C1 81291 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.438 COC1=NC=CC(CC(=O)O)=C1 AT18202 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.367 C=C[C@H](N)C1=CC(C)=C(C)C=C1 N15442 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.367 C=C[C@H](N)C1=CC(C)=C(C)C=C1 N15443 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.367 C=C[C@H](N)C1=CC(C)=C(C)C=C1 N15444 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15411 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15412 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N15413 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(C)C=C1 N15414 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(C)C=C1 N15415 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(C)C=C1 N15416 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15407 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15409 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.367 C=C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N15410 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Br)C=C1 N15372 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Br)C=C1 N15373 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Br)C=C1 N15374 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.367 C=C[C@H](N)C1=CC(F)=C(C)C=C1 N15375 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.367 C=C[C@H](N)C1=CC(F)=C(C)C=C1 N15377 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.367 C=C[C@H](N)C1=CC(F)=C(C)C=C1 N15378 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Cl)C=C1 N15369 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Cl)C=C1 N15370 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.367 C=C[C@H](N)C1=CC(F)=C(Cl)C=C1 N15371 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.367 C=C[C@H](N)C1=CC(F)=C(F)C=C1 N15366 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.367 C=C[C@H](N)C1=CC(F)=C(F)C=C1 N15367 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.367 C=C[C@H](N)C1=CC(F)=C(F)C=C1 N15368 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 D97793 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D87854 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.56 COC1=C(Br)C=CC(C(=N)N)=C1 56647 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.56 COC1=C(Br)C=CC(C(C)C)=C1 D87066 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [1,1,0,0,0,0|0,0,1]=3 113 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [1,1,0,0,0,0|0,0,1]=3 114 B12R1.78 C=CC1=CC(OC)=C(C#N)C=N1 S10502 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.78 COC1=CC=C(CN)N=C1OC F31028 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.78 COC1=CC=C(CO)N=C1OC D75064 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.300 COC1=C(F)C(C)=CC(C=O)=C1 97135 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.449 COC1=C(Cl)C=C(O)C(C=O)=C1 AC1919 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.453 CC(=O)C1=C(O)C=CC(CCl)=C1 F13165 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.453 CC(=O)C1=C(O)C=CC(CO)=C1 F13145 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.654 COC1=C(F)C(CN)=CC=C1F D78500 [1,1,0,0,0,0|2,0,0]=4 123 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)C(C)=O)=C1 N16309 [0,2,0,0,0,0|1,0,1]=4 124 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(C)=O)=C1 N16303 [0,2,0,0,0,0|1,0,1]=4 125 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N12457 [0,2,0,0,0,0|1,0,0]=3 126 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14806 [0,2,0,0,0,0|1,0,0]=3 127 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14807 [0,2,0,0,0,0|1,0,0]=3 128 B14R1.1864 C#C[C@@H](O)C1=CC(OC)=C(OC)C=C1 AC6640 [0,2,0,0,0,0|0,0,2]=4 129 B14R1.3651 COC1=C(OC)C=C(CC(=N)N)C=C1 C11849 [0,2,0,0,0,0|1,0,0]=3 130 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 61355 [0,2,0,0,0,0|1,0,0]=3 131 B14R1.793 COC1=C(OC)C=C(CN=C=S)C=C1 AT21459 [0,2,0,0,0,0|1,0,1]=4 132 B14R1.10285 COC1=CC=C(CCN)C(Cl)=C1OC 83809 [0,2,0,0,0,0|1,0,1]=4 133 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 F52915 [0,2,0,0,0,0|1,0,1]=4 134 B12R2.43 COC1=CC(C2CC2)=CC=C1 AC8808 [1,0,0,1,0,0|0,0,2]=4 135 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [1,0,0,1,0,0|0,0,0]=2 137 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [1,0,0,1,0,0|1,1,0]=4 138 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [1,0,0,1,0,0|0,0,2]=4 140 B12R2.315 COC1=CC=CC2=C1N=CS2 76145 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.82 CC1=C(N)C=CC2=C1C=CN2 51990 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.100 CC1=C(O)C=C2C=CNC2=C1 85913 [1,0,0,1,0,0|1,0,0]=3 143 B12R2.100 FC1=C(F)C=C2CC=CC2=C1 F12459 [1,0,0,1,0,0|2,0,0]=4 144 B12R2.100 OC1=C(Cl)C=C2NC=CC2=C1 P11885 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 Y10133 [1,0,0,1,0,0|2,0,0]=4 146 B14R2.1008 C[C@H](O)CC1=CC2=C(C=C1)OCO2 W16411 [0,1,0,1,0,0|0,0,2]=4 147 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)CCO2 C14900 [0,1,0,1,0,0|2,0,0]=4 148 B14R2.1197 COC1=CC2=C(C=C1C)NC(=O)C2 85914 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.112 NCCC1=CC2=C(C=C1)OCCO2 C80003 [0,1,0,1,0,0|1,0,1]=4 150 B14R2.1238 COC1=C(OC)C2=C(C=C1)NC=C2 P16936 [0,1,0,1,0,0|1,0,0]=3 151 B14R2.3062 COC1=C(OC)C=C(C2CC2)C=C1 AC8508 [0,1,0,1,0,0|0,0,2]=4 152 B14R2.991 CNCCC1=CC2=C(C=C1)OCO2 AC6162 [0,1,0,1,0,0|0,0,2]=4 153 B14R2.3822 COC1=C(Br)C=CC2=C1C(=O)CC2 F52799 [0,1,0,1,0,0|1,0,1]=4 154 B14R2.3822 COC1=C(F)C=CC2=C1C(=O)CC2 F52788 [0,1,0,1,0,0|1,0,1]=4 155 B14R2.3822 COC1=C2C(=O)CCC2=CC=C1C F52794 [0,1,0,1,0,0|1,0,1]=4 156 B14R3.3046 C1=CC2=C(OCO2)C3=C1CNC3 56263 [0,0,0,2,0,0|1,0,1]=4 157 B14R3.3015 C1=CC2=C(C=C1C3CC3)OCO2 AC9453 [0,0,0,2,0,0|0,0,2]=4 158 B14R3.3022 C1=CC2=CC3=C(C=C2C1)OCO3 94586 [0,0,0,2,0,0|0,0,0]=2