0 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 BrCCOC1=CC=CC=C1 73688 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 BrCCSC1=CC=CC=C1 D88892 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 BrC\C=C\C1=CC=CC=C1 F14018 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.17 C#CCCC1=CC=CC=C1 D74342 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.17 C#CCOC1=CC=CC=C1 F21383 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 C#CCOC1=CN=CC=C1 CL0292 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 C=CCNC1=CC=CC=C1 D88344 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 C=CCOC1=CC=CC=C1 D77750 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 C=CCSC1=CC=CC=C1 S12094 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 C=COCC1=CC=CC=C1 P11489 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.17 CCCCC1=CC=CC=C1 H11923 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.17 CCCCC1=CC=CN=C1 F20500 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 CCCNC1=CC=CC=C1 D91987 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.17 CCNCC1=CC=CN=C1 30943 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.17 CCNCC1=CC=NC=C1 12139 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 CCNCC1=NC=CC=C1 29981 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.17 CCOCC1=CC=CC=C1 F30115 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.17 CNCCC1=CC=NC=C1 64165 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.17 CNCCC1=CC=NC=C1 AR3935 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 CNCCC1=NC=CC=C1 23018 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.17 CNCCC1=NC=CC=C1 AR1013 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 CNCCC1=NC=CC=C1 D87714 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.17 COCSC1=CC=CC=C1 D91464 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.17 ClCCOC1=CC=CC=C1 74955 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.17 ClCCSC1=CC=CC=C1 C10874 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.17 ClCOCC1=CC=CC=C1 76478 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.17 ClCSCC1=CC=CC=C1 D88878 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.17 ClC\C=C\C1=CC=CC=C1 76491 [0,0,0,0,0,0|1,0,3]=4 35 B10R1.17 ClC\C=C\C1=CC=CC=C1 D91905 [0,0,0,0,0,0|1,0,3]=4 36 B10R1.17 N#CC#CC1=CC=CC=C1 36388 [0,0,0,0,0,0|1,0,3]=4 37 B10R1.17 N#CCCC1=CC=CC=C1 D91984 [0,0,0,0,0,0|1,0,1]=2 38 B10R1.17 N#CCNC1=CC=CC=C1 H12014 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.17 N#CCOC1=CC=CC=C1 29593 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.17 N#CCSC1=CC=CC=C1 D92138 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.17 N#C\C=C\C1=CC=CC=C1 27206 [0,0,0,0,0,0|1,0,3]=4 42 B10R1.17 NCCCC1=CC=CC=C1 S10208 [0,0,0,0,0,0|1,0,1]=2 43 B10R1.17 NCCCC1=NC=CC=C1 70884 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.17 NCCNC1=CC=CC=C1 AC8789 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.17 NCCOC1=CC=CC=C1 33388 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.17 NCCOC1=CN=CC=C1 25606 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.17 NCCOC1=CN=CC=C1 Y10394 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 NCCOC1=NC=CC=C1 20311 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.17 NC\C=C\C1=CC=CC=C1 W12746 [0,0,0,0,0,0|1,0,3]=4 50 B10R1.17 O=C=NCC1=CC=CC=C1 D91149 [0,0,0,0,0,0|1,0,1]=2 51 B10R1.17 O=CC#CC1=CC=CC=C1 TD1326 [0,0,0,0,0,0|0,0,2]=2 52 B10R1.17 O=CCCC1=CC=CC=C1 C10629 [0,0,0,0,0,0|0,0,0]=0 53 B10R1.17 O=CNCC1=CC=CC=C1 D72481 [0,0,0,0,0,0|1,0,0]=1 54 B10R1.17 O=COCC1=CC=CC=C1 D70183 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.17 O=C\C=C\C1=CC=CC=C1 D72477 [0,0,0,0,0,0|0,0,2]=2 56 B10R1.17 OCC#CC1=CC=CC=C1 O11048 [0,0,0,0,0,0|0,0,4]=4 57 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [0,0,0,0,0,0|0,0,2]=2 58 B10R1.17 OCCCC1=CC=NC=C1 65430 [0,0,0,0,0,0|1,0,2]=3 59 B10R1.17 OCCCC1=CN=CC=C1 D84150 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.17 OCCCC1=NC=CC=C1 31622 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.17 OCCCC1=NC=CC=C1 38162 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.17 OCCNC1=CC=CC=C1 D70504 [0,0,0,0,0,0|1,0,2]=3 63 B10R1.17 OCCNC1=NC=CC=C1 D82807 [0,0,0,0,0,0|2,0,2]=4 64 B10R1.17 OCCSC1=CC=CC=C1 D83749 [0,0,0,0,0,0|1,0,2]=3 65 B10R1.17 OCCSC1=NC=CC=C1 D83595 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.17 OC\C=C/C1=CC=CC=C1 AC1182 [0,0,0,0,0,0|0,0,4]=4 67 B10R1.17 OC\C=C\C1=CC=CC=C1 D95443 [0,0,0,0,0,0|0,0,4]=4 68 B10R1.17 S=C=NCC1=CC=CC=C1 F16583 [0,0,0,0,0,0|1,1,1]=3 69 B9R1.8 BrCCC1=CC=CC=C1 S12296 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 BrCCC1=NC=CC=C1 54525 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 Br\C=C\C1=CC=CC=C1 D70190 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.8 C#CCC1=CC=CC=C1 A11825 [1,0,0,0,0,0|0,0,2]=3 73 B9R1.8 C=CCC1=CC=CC=C1 FD14063 [1,0,0,0,0,0|0,0,1]=2 74 B9R1.8 C=CSC1=CC=CC=C1 D92100 [1,0,0,0,0,0|1,0,1]=3 75 B9R1.8 CC#CC1=CC=CC=C1 D71012 [1,0,0,0,0,0|0,0,3]=4 76 B9R1.8 CCCC1=CC=CC=C1 F10002 [1,0,0,0,0,0|0,0,1]=2 77 B9R1.8 CCCC1=CC=NC=C1 D86491 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.8 CCCC1=NC=CC=C1 A10924 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.8 CCCC1=NC=CN=C1 D70525 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 CCNC1=NC=CC=C1 H11775 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 CCOC1=CC=CC=C1 D78866 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.8 CCOC1=NC=CC=C1 28909 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 CCSC1=CC=CC=C1 H10383 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.8 CNCC1=CC=CC=C1 AR1001 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.8 CNCC1=CC=CN=C1 28981 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 CNCC1=CC=CN=C1 AR1268 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 CNCC1=CC=NC=C1 30756 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 CNCC1=NC=CC=C1 29930 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 CNCC1=NC=CC=C1 AR1010 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 COCC1=CC=CC=C1 D88644 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.8 COCC1=NC=CC=C1 23564 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 C\N=C\C1=CC=CC=C1 D94771 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.8 ClCCC1=CC=CC=C1 D70839 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.8 ClCSC1=CC=CC=C1 D89325 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 ICCC1=CC=CC=C1 D70924 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.8 N#CCC1=CC=NC=C1 74034 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.8 N#CCC1=CC=NC=C1 81779 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 N#CCC1=CN=CC=C1 24086 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 N#CCC1=NC=CC=C1 73694 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 N#CC[N+]1=CC=CC=C1 D89308 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 N#COC1=CC=CC=C1 AB8955 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.8 NCCC1=CC=CC=C1 D78532 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.8 NCCC1=CC=CN=C1 51507 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.8 NCCC1=CC=CN=C1 51508 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 NCCC1=CC=NC=C1 51916 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 NCCC1=CC=NC=C1 N12034 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 NCCC1=NC=CC=C1 AB1583 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.8 NNCC1=CC=CC=C1 53542 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 NNCC1=CC=CC=C1 53594 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.8 NNCC1=CC=CC=C1 78678 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.8 NNCC1=CC=CN=C1 37010 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.8 NNCC1=CC=CN=C1 71680 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 NNCC1=NC=CC=C1 37011 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 NOCC1=CC=CC=C1 54239 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.8 NOCC1=CC=CC=C1 N10409 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 O=C=NC1=NC=CC=C1 P20838 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 O=CCC1=CC=CC=C1 D78329 [1,0,0,0,0,0|0,0,0]=1 118 B9R1.8 O=CNC1=CC=CC=C1 D70279 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.8 O=CNC1=NC=CC=C1 AB9953 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.8 O=COC1=CC=CC=C1 F20974 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.8 O=S=NC1=CC=CC=C1 H11314 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.8 OCCC1=CC=CC=C1 D70868 [1,0,0,0,0,0|0,0,1]=2 123 B9R1.8 OCCC1=CC=NC=C1 27360 [1,0,0,0,0,0|1,0,1]=3 124 B9R1.8 OCCC1=CN=CC=C1 29643 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.8 OCCC1=NC=CC=C1 D70485 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 OCCC1=NC=CN=C1 26585 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.8 ONCC1=CC=CC=C1 23229 [1,0,0,0,0,0|1,0,1]=3 128 B9R1.8 ONCC1=CC=CC=C1 70488 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.8 O\N=C\C1=CC=CC=C1 53644 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.8 O\N=C\C1=CC=CC=C1 D78196 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.8 S=C=NC1=CC=CC=C1 D77304 [1,0,0,0,0,0|1,1,1]=4 132 B9R1.8 SCCC1=CC=CC=C1 AC9387 [1,0,0,0,0,0|0,1,0]=2 133 B9R1.8 SCCC1=CC=NC=C1 H11399 [1,0,0,0,0,0|1,1,0]=3 134 B9R1.8 SCCC1=NC=CN=C1 T72349 [1,0,0,0,0,0|2,1,0]=4 135 B11R1.1 BrCCCC1=CC=C(Br)C=C1 AB12305 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.1 BrCCOC1=CC=C(Br)C=C1 88330 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.1 C#CCOC1=CC=C(F)C=C1 W16560 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.1 C#CCOC1=CC=C(N)C=C1 T72197 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.1 CC1=CC=C(OCCBr)C=C1 A12186 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.1 CC1=CC=C(OCCN)C=C1 30930 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.1 CC1=CC=C(OCCO)C=C1 D81782 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 27051 [0,1,0,0,0,0|0,0,2]=3 143 B11R1.1 CCCCC1=CC=C(Br)C=C1 28617 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.1 CCCCC1=CC=C(Cl)C=C1 D88987 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.1 CCCCC1=CC=C(I)C=C1 O10393 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.1 CCCCC1=CC=C(O)C=C1 D88733 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 A51103 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 C93467 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 C93476 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 S11229 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.1 CCCOC1=CC=C(Br)C=C1 AC8402 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.1 CCCOC1=CC=C(O)C=C1 D70163 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.1 CCNCC1=CC=C(Br)C=C1 30536 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.1 CCNCC1=CC=C(Cl)C=C1 30537 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.1 CCNCC1=CC=C(F)C=C1 31187 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.1 CCOCC1=CC=C(F)C=C1 I12057 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.1 CNCCC1=CC=C(O)C=C1 W16881 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.1 COCCC1=CC=C(O)C=C1 F11255 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.1 COCOC1=CC=C(Br)C=C1 29154 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.1 COCOC1=CC=C(O)C=C1 D93617 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.1 CONCC1=CC=C(Cl)C=C1 D80709 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.1 ClC1=CC=C(OCCBr)C=C1 34710 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.1 ClCCCC1=CC=C(Br)C=C1 C13894 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 S10875 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.1 FC1=CC=C(CN=C=S)C=C1 D97436 [0,1,0,0,0,0|1,1,1]=4 166 B11R1.1 FC1=CC=C(OCCBr)C=C1 75054 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.1 FC1=CC=C(OCCCl)C=C1 W16010 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 F16130 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.1 N#CCOC1=CC=C(Br)C=C1 76825 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 34073 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.1 NC1=CC=C(NCCO)C=C1 71218 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.1 NCCCC1=CC=C(Cl)C=C1 F20044 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.1 NCCOC1=CC=C(Cl)C=C1 30447 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.1 NCCOC1=CC=C(F)C=C1 29062 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.1 NCCOC1=CC=C(F)C=C1 Y10608 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.1 O=CCCC1=CC=C(F)C=C1 CL8850 [0,1,0,0,0,0|0,0,0]=1 177 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 78045 [0,1,0,0,0,0|0,0,2]=3 178 B11R1.1 O=C\C=C\C1=CC=C(Cl)C=C1 C10192 [0,1,0,0,0,0|0,0,2]=3 179 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 76119 [0,1,0,0,0,0|0,0,2]=3 180 B11R1.1 OCCCC1=CC=C(Br)C=C1 AB3206 [0,1,0,0,0,0|0,0,2]=3 181 B11R1.1 OCCCC1=CC=C(Cl)C=C1 W10512 [0,1,0,0,0,0|0,0,2]=3 182 B11R1.1 OCCCC1=CC=C(F)C=C1 AB3825 [0,1,0,0,0,0|0,0,2]=3 183 B11R1.1 OCCCC1=CC=C(O)C=C1 FD10610 [0,1,0,0,0,0|0,0,2]=3 184 B11R1.1 OCCCC1=CN=C(Br)C=C1 Y10949 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.1 OCCOC1=CC=C(Cl)C=C1 D89220 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 D92112 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 D81704 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.16 CN(CCN)C1=CC=CC=C1 35815 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D91127 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 65122 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.16 ClCC[C@H](Br)C1=CC=CC=C1 AB10338 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CL8636 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 20164 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 AB10355 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 D83101 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65209 [0,1,0,0,0,0|0,0,2]=3 197 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65210 [0,1,0,0,0,0|0,0,2]=3 198 B11R1.16 O=C(CCCl)C1=CC=CC=C1 20090 [0,1,0,0,0,0|1,0,2]=4 199 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 D80419 [0,1,0,0,0,0|0,0,2]=3 200 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58104 [0,1,0,0,0,0|1,0,1]=3 201 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58184 [0,1,0,0,0,0|1,0,1]=3 202 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58185 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.17 CC1=C(OCC#N)C=CC=C1 30970 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.17 CC1=C(OCCN)C=CC=C1 30874 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.17 CCCCC1=C(N)C=CC=C1 D88855 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.17 CCCOC1=C(N)C=CC=C1 31375 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.17 CCCOC1=C(O)C=CC=C1 D95014 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.17 CNCCC1=C(F)C=CC=C1 30544 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.17 ClC1=C(OCCBr)C=CC=C1 98070 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.17 N#CCCC1=C(Cl)C=CC=C1 D84144 [0,1,0,0,0,0|1,0,1]=3 211 B11R1.17 N#CCOC1=C(F)C=CC=C1 31603 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.17 N#CSCC1=C(Cl)C=CC=C1 D89528 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.17 NCCOC1=C(Cl)C=CC=C1 29710 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.17 NCCOC1=C(F)C=CC=C1 30849 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.17 O=CCCC1=C(F)C=CC=C1 CL8848 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 77932 [0,1,0,0,0,0|0,0,2]=3 217 B11R1.17 O=C\C=C\C1=C(Cl)C=CC=C1 C72544 [0,1,0,0,0,0|0,0,2]=3 218 B11R1.17 OCCCC1=C(Br)C=CC=C1 AB3204 [0,1,0,0,0,0|0,0,2]=3 219 B11R1.24 C#CCOC1=CC(C)=CC=C1 W16072 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.24 C#CCOC1=CC=CC(Br)=C1 W16066 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.24 C#CCOC1=CC=CC(Cl)=C1 W16060 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.24 CC1=CC=CC(OCC#N)=C1 31898 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.24 CC1=CC=CC(\C=C\C=O)=C1 D97428 [0,1,0,0,0,0|0,0,2]=3 224 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93457 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 D93268 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 D95727 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.24 CCNCC1=CC=CC(Br)=C1 29353 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.24 CCNCC1=CC=CC(Cl)=C1 78306 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.24 CCNCC1=CC=CC(Cl)=C1 N10024 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.24 CCNCC1=CC=CC(F)=C1 29329 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.24 CNCCC1=CC=CC(Cl)=C1 29813 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.24 CNCCC1=CC=CC(F)=C1 30539 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.24 COCOC1=CC(N)=CC=C1 H10442 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.24 COCOC1=CC=CC(F)=C1 71969 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.24 ClC1=CC=CC(OCCBr)=C1 34708 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.24 FC1=CC=CC(CCCBr)=C1 AB8465 [0,1,0,0,0,0|1,0,1]=3 237 B11R1.24 FC1=CC=CC(CN=C=S)=C1 75836 [0,1,0,0,0,0|1,1,1]=4 238 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 29588 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.24 N#CCOC1=CC=CC(F)=C1 31836 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.24 NCCOC1=CC=CC(Br)=C1 71826 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.24 NCCOC1=CC=CC(Cl)=C1 30850 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.24 NCCOC1=CC=CC(F)=C1 29764 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 AB6892 [0,1,0,0,0,0|0,0,0]=1 244 B11R1.24 O=C\C=C\C1=CC=CC(Br)=C1 25498 [0,1,0,0,0,0|0,0,2]=3 245 B11R1.24 O=C\C=C\C1=CC=CC(Cl)=C1 D75052 [0,1,0,0,0,0|0,0,2]=3 246 B11R1.24 OCCCC1=CC=CC(Br)=C1 AB3205 [0,1,0,0,0,0|0,0,2]=3 247 B11R1.24 OCCCC1=CC=CC(O)=C1 62422 [0,1,0,0,0,0|0,0,2]=3 248 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.28 BrCCCOC1=CC=CC=C1 73704 [0,1,0,0,0,0|1,0,1]=3 250 B11R1.28 BrCCOCC1=CC=CC=C1 29418 [0,1,0,0,0,0|1,0,1]=3 251 B11R1.28 C#CCOCC1=CC=CC=C1 H11649 [0,1,0,0,0,0|1,0,1]=3 252 B11R1.28 C=CCNCC1=CC=CC=C1 51314 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.28 C=CCNCC1=CC=CC=C1 51315 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.28 C=CCOCC1=CC=CC=C1 CS1050 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.28 CCCC#CC1=CC=CC=C1 D97343 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.28 CCCCOC1=NC=CC=C1 D88876 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [0,1,0,0,0,0|1,0,1]=3 259 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [0,1,0,0,0,0|1,0,1]=3 261 B11R1.28 CNC\C=C\C1=CC=CC=C1 A11412 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.28 COCCNC1=NC=CC=C1 D94270 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.28 COCCSC1=CC=CC=C1 W18561 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [0,1,0,0,0,0|1,0,1]=3 265 B11R1.28 ClCCCCC1=CC=NC=C1 56205 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.28 ClCCNCC1=CC=CC=C1 AB2649 [0,1,0,0,0,0|1,0,1]=3 267 B11R1.28 N#CCCNC1=CC=CC=C1 E70307 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.28 N#CCCOC1=CC=CC=C1 AB7705 [0,1,0,0,0,0|1,0,1]=3 269 B11R1.28 N#CCOCC1=CC=CC=C1 AC3964 [0,1,0,0,0,0|1,0,1]=3 270 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [0,1,0,0,0,0|1,0,1]=3 271 B11R1.28 NCCNCC1=CC=CC=C1 20546 [0,1,0,0,0,0|1,0,1]=3 272 B11R1.28 NCCOCC1=CC=CC=C1 CL4561 [0,1,0,0,0,0|1,0,1]=3 273 B11R1.28 NCCOCC1=CC=CC=C1 CL4570 [0,1,0,0,0,0|1,0,1]=3 274 B11R1.28 O=C=NCCC1=CC=CC=C1 D92144 [0,1,0,0,0,0|0,0,1]=2 275 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [0,1,0,0,0,0|0,0,0]=1 276 B11R1.28 O=CCOCC1=CC=CC=C1 35646 [0,1,0,0,0,0|0,0,0]=1 277 B11R1.28 OCCCCC1=CC=CC=C1 70774 [0,1,0,0,0,0|0,0,2]=3 278 B11R1.28 OCCCCC1=CC=NC=C1 30651 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.28 OCCCCC1=CN=CC=C1 32381 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.28 OCCCNC1=CC=CC=C1 D88515 [0,1,0,0,0,0|0,0,2]=3 281 B11R1.28 OCCCOC1=CC=CC=C1 A50719 [0,1,0,0,0,0|0,0,2]=3 282 B11R1.28 OCCNCC1=CC=CC=C1 AC7917 [0,1,0,0,0,0|0,0,2]=3 283 B11R1.28 OCCOCC1=CC=CC=C1 P17494 [0,1,0,0,0,0|0,0,2]=3 284 B11R1.28 S=C=NCCC1=CC=CC=C1 D92051 [0,1,0,0,0,0|0,1,1]=3 285 B11R1.40 C=CC(=O)NC1=CC=CC=C1 C10642 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.40 C=CC(=O)OC1=CC=CC=C1 AC8636 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.40 CCC(=O)CC1=CC=CC=C1 75226 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 D94692 [0,1,0,0,0,0|1,0,1]=3 289 B11R1.40 CN[C@@H](C)CC1=NC=CC=C1 D82185 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.40 COC(=O)CC1=CC=CC=C1 D77850 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 F17120 [0,1,0,0,0,0|1,0,2]=4 292 B11R1.40 C[C@H](CO)CC1=CC=CC=C1 D86956 [0,1,0,0,0,0|0,0,2]=3 293 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 47226 [0,1,0,0,0,0|0,0,2]=3 294 B11R1.40 N=C(CC1=CC=CC=C1)NO S10392 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR3947 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.40 NNC(=O)CC1=CC=CC=C1 AC1644 [0,1,0,0,0,0|2,0,1]=4 297 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26243 [0,1,0,0,0,0|0,0,2]=3 298 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26245 [0,1,0,0,0,0|0,0,2]=3 299 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 F10667 [0,1,0,0,0,0|0,0,2]=3 300 B11R1.40 N\C(CC1=CC=CC=C1)=N\O W10704 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.40 O=C\C(Br)=C/C1=CC=CC=C1 D88774 [0,1,0,0,0,0|0,0,2]=3 302 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [0,1,0,0,0,0|0,0,0]=1 304 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [0,1,0,0,0,0|0,0,2]=3 309 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [0,1,0,0,0,0|0,0,2]=3 310 B11R1.91 CC(C)NCC1=CC=CC=C1 C11247 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.91 C[C@H](Cl)COC1=CC=CC=C1 D91900 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [0,1,0,0,0,0|0,0,2]=3 314 B11R1.91 C[C@H](O)COC1=CC=CC=C1 D77637 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [0,1,0,0,0,0|1,0,0]=2 316 B11R1.91 N=C(N)NCC1=CC=CC=C1 D81805 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.91 N=C(N)SCC1=CC=CC=C1 D88650 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.91 NC(=O)C#CC1=CC=CC=C1 83537 [0,1,0,0,0,0|0,0,2]=3 319 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [0,1,0,0,0,0|0,0,0]=1 320 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [0,1,0,0,0,0|1,0,0]=2 321 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [0,1,0,0,0,0|1,0,0]=2 322 B11R1.91 NC(=O)NNC1=CC=CC=C1 D91929 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [0,1,0,0,0,0|1,0,0]=2 324 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [0,1,0,0,0,0|0,0,2]=3 325 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [0,1,0,0,0,0|0,0,2]=3 326 B11R1.91 NC(=S)NCC1=CC=CC=C1 D85863 [0,1,0,0,0,0|1,1,0]=3 327 B11R1.91 NC(=S)NNC1=CC=CC=C1 W18308 [0,1,0,0,0,0|2,1,0]=4 328 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.91 O=C(O)C#CC1=CC=CC=C1 33950 [0,1,0,0,0,0|0,0,2]=3 330 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [0,1,0,0,0,0|0,0,0]=1 331 B11R1.91 O=C(O)CCC1=CC=NC=C1 78791 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.91 O=C(O)CCC1=CN=CC=C1 A10240 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.91 O=C(O)CCC1=NC=CC=C1 S11406 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.91 O=C(O)COC1=CN=CC=C1 D82223 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.91 O=C(O)COC1=NC=CC=C1 P18645 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [0,1,0,0,0,0|1,0,0]=2 339 B11R1.91 O=C(O)CSC1=CC=NC=C1 F15983 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [0,1,0,0,0,0|0,0,2]=3 341 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 A10227 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 65474 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28919 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 C90173 [0,1,0,0,0,0|1,0,2]=4 345 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [0,1,0,0,0,0|0,0,2]=3 346 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 77768 [0,1,0,0,0,0|1,0,2]=4 350 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 D72576 [0,1,0,0,0,0|1,0,2]=4 351 B11R1.91 OB(O)CCC1=CC=CC=C1 28933 [0,1,0,0,0,0|1,0,1]=3 352 B9R0.45 CCCC\C=C\C=C\C=O D91726 [0,0,1,0,0,0|2,0,1]=4 353 B11R2.1 BrC1=COC2=C1C=CC=C2 30221 [0,0,0,1,0,0|2,0,1]=4 354 B11R2.1 BrC1=CSC2=C1C=CC=C2 73989 [0,0,0,1,0,0|2,0,1]=4 355 B11R2.1 BrC1=NNC2=C1C=CC=C2 23384 [0,0,0,1,0,0|3,0,0]=4 356 B11R2.1 CC1=CNC2=C1C=CC=C2 P10013 [0,0,0,1,0,0|2,0,1]=4 357 B11R2.1 CC1=COC2=C1C=CC=C2 F14546 [0,0,0,1,0,0|2,0,1]=4 358 B11R2.1 CC1=CSC2=C1C=CC=C2 O11035 [0,0,0,1,0,0|2,0,1]=4 359 B11R2.1 CC1=NNC2=C1C=CC=C2 27066 [0,0,0,1,0,0|3,0,0]=4 360 B11R2.1 CC1=NOC2=C1C=CC=C2 63502 [0,0,0,1,0,0|3,0,0]=4 361 B11R2.1 ClC1=CNC2=C1C=CC=C2 P16031 [0,0,0,1,0,0|2,0,1]=4 362 B11R2.1 ClC1=NOC2=C1C=CC=C2 23807 [0,0,0,1,0,0|3,0,0]=4 363 B11R2.1 IC1=CSC2=C1C=CC=C2 O11022 [0,0,0,1,0,0|2,0,1]=4 364 B11R2.1 IC1=NNC2=C1C=CC=C2 24850 [0,0,0,1,0,0|3,0,0]=4 365 B11R2.1 NC1=NCC2=C1C=CC=C2 SC5075 [0,0,0,1,0,0|2,0,0]=3 366 B11R2.1 NC1=NNC2=C1C=CC=C2 AR2288 [0,0,0,1,0,0|3,0,0]=4 367 B11R2.1 NC1=NOC2=C1C=CC=C2 68245 [0,0,0,1,0,0|3,0,0]=4 368 B11R2.1 NC1=NSC2=C1C=CC=C2 26742 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 36655 [0,0,0,1,0,0|1,0,1]=3 370 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41002 [0,0,0,1,0,0|1,0,1]=3 371 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67750 [0,0,0,1,0,0|1,0,1]=3 372 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67775 [0,0,0,1,0,0|1,0,1]=3 373 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67878 [0,0,0,1,0,0|1,0,1]=3 374 B11R2.1 O=C1CCC2=C1C=CC=C2 73679 [0,0,0,1,0,0|0,0,0]=1 375 B11R2.1 O=C1CCC2=C1C=CC=N2 SC1911 [0,0,0,1,0,0|1,0,0]=2 376 B11R2.1 O=C1CCC2=CC=CN=C12 26598 [0,0,0,1,0,0|1,0,0]=2 377 B11R2.1 O=C1COC2=C1C=CC=C2 85080 [0,0,0,1,0,0|1,0,0]=2 378 B11R2.1 O=C1NCC2=C1C=CC=C2 SC1218 [0,0,0,1,0,0|1,0,0]=2 379 B11R2.1 O=C1NNC2=C1C=CC=C2 S10203 [0,0,0,1,0,0|2,0,0]=3 380 B11R2.1 O=C1NSC2=C1C=CC=C2 28414 [0,0,0,1,0,0|2,0,0]=3 381 B11R2.1 O=C1OCC2=C1C=CC=C2 44483 [0,0,0,1,0,0|1,0,0]=2 382 B11R2.1 O=C1OCC2=C1C=CC=N2 FD1331 [0,0,0,1,0,0|2,0,0]=3 383 B11R2.1 O=C1SSC2=C1C=CC=C2 W18739 [0,0,0,1,0,0|2,0,0]=3 384 B11R2.1 OB1OCC2=C1C=CC=C2 R10002 [0,0,0,1,0,0|2,0,1]=4 385 B11R2.1 OC1=NOC2=C1C=CC=C2 30089 [0,0,0,1,0,0|2,0,1]=4 386 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 I10213 [0,0,0,1,0,0|0,0,2]=3 387 B11R2.1 O[C@H]1CCC2=CC=CN=C21 25176 [0,0,0,1,0,0|1,0,2]=4 388 B11R2.4 NC1CC1C2=CC=CC=C2 74589 [0,0,0,1,0,0|1,0,1]=3 389 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D81815 [0,0,0,1,0,0|1,0,1]=3 390 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 FD9050 [0,0,0,1,0,0|1,0,1]=3 391 B11R2.20 C1=CC2=C(C=C1)CC=CC2 O10351 [0,0,0,1,0,0|1,0,1]=3 392 B11R2.20 C1=CC2=C(C=C1)CCC=C2 H10885 [0,0,0,1,0,0|1,0,0]=2 393 B11R2.20 C1=CC2=C(C=C1)CNCC2 66636 [0,0,0,1,0,0|2,0,0]=3 394 B11R2.20 C1=CC2=C(C=C1)CNCC2 66637 [0,0,0,1,0,0|2,0,0]=3 395 B11R2.20 C1=CC2=C(C=C1)CNNC2 31576 [0,0,0,1,0,0|3,0,0]=4 396 B11R2.20 C1=CC2=C(C=C1)COCC2 25404 [0,0,0,1,0,0|2,0,0]=3 397 B11R2.20 C1=CC2=C(C=C1)NCCC2 66632 [0,0,0,1,0,0|1,0,1]=3 398 B11R2.20 C1=CC2=C(C=C1)NCCN2 69685 [0,0,0,1,0,0|2,0,1]=4 399 B11R2.20 C1=CC2=C(C=C1)OCCC2 F13522 [0,0,0,1,0,0|0,0,2]=3 400 B11R2.20 C1=CC2=C(C=C1)OCCN2 BL001953 [0,0,0,1,0,0|1,0,2]=4 401 B11R2.20 C1=CC2=C(C=C1)OCCO2 A10228 [0,0,0,1,0,0|1,0,2]=4 402 B11R2.20 C1=CC2=C(C=C1)SCCN2 77538 [0,0,0,1,0,0|1,1,1]=4 403 B11R2.20 C1=CC2=C(C=N1)CCCC2 67092 [0,0,0,1,0,0|2,0,1]=4 404 B11R2.20 C1=CC2=C(C=N1)CCCN2 29746 [0,0,0,1,0,0|2,0,1]=4 405 B11R2.20 C1=CC=C2C=CC=CC2=C1 D97670 [0,0,0,1,0,0|1,0,2]=4 406 B11R2.20 C1=CC=C2C=NC=CC2=C1 F52665 [0,0,0,1,0,0|2,0,1]=4 407 B11R2.20 C1=CC=C2N=CC=CC2=C1 D95732 [0,0,0,1,0,0|1,0,2]=4 408 B11R2.20 C1=CC=C2N=CC=CC2=C1 D97671 [0,0,0,1,0,0|1,0,2]=4 409 B11R2.20 C1=CC=C2N=CC=NC2=C1 81321 [0,0,0,1,0,0|2,0,1]=4 410 B11R2.20 C1=CC=C2N=CN=CC2=C1 23073 [0,0,0,1,0,0|2,0,1]=4 411 B11R2.20 C1=CN=C2CCCCC2=C1 66526 [0,0,0,1,0,0|2,0,1]=4 412 B11R2.20 C1=CN=C2CCNCC2=C1 SC2731 [0,0,0,1,0,0|3,0,0]=4 413 B11R2.20 C1=CN=C2CNCCC2=C1 37895 [0,0,0,1,0,0|3,0,0]=4 414 B11R2.20 C1=CN=C2NCCCC2=C1 RB3283 [0,0,0,1,0,0|2,0,1]=4 415 B11R2.238 C1=CC=C(NC2CC2)C=C1 D82826 [0,0,0,1,0,0|2,0,1]=4 416 B11R2.238 C1=CC=C(SC2CC2)C=C1 87296 [0,0,0,1,0,0|2,0,1]=4 417 B9R1.12 CCCCC1=CC=CO1 D88935 [0,0,0,0,1,0|2,0,1]=4 418 B9R1.12 CCCCC1=CC=CS1 F15458 [0,0,0,0,1,0|2,0,1]=4 419 B9R1.12 CCCCC1=CSC=C1 F10859 [0,0,0,0,1,0|2,0,1]=4 420 B9R1.12 N#CCCN1C=CC=C1 H10352 [0,0,0,0,1,0|2,0,1]=4 421 B9R1.12 NCCCC1=CC=CS1 F20202 [0,0,0,0,1,0|2,0,1]=4 422 B9R1.12 O=C\C=C\C1=CC=CO1 O10885 [0,0,0,0,1,0|1,0,2]=4 423 B9R1.12 OCCCC1=CC=CS1 30464 [0,0,0,0,1,0|1,0,2]=4 424 B9R1.12 OCCCN1C=CC=C1 79041 [0,0,0,0,1,0|1,0,2]=4 425 B8R0.4 CCC\C=C\C=C\C=O D71091 [1,0,1,0,0,0|1,0,1]=4 426 B8R1.2 BrCC1=CC=NC=C1 30281 [2,0,0,0,0,0|2,0,0]=4 427 B8R1.2 BrCC1=CN=CC=C1 30280 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.2 BrCC1=NC=CC=C1 77889 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.2 Br[Se]C1=CC=CC=C1 D92107 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.2 CCC1=NC=CN=C1 O10771 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.2 CC[N+]1=CC=CC=C1 C93440 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.2 CC[N+]1=CC=CC=C1 D83482 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.2 CNC1=CC=CC=C1 D91386 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.2 CNC1=CC=CN=C1 34276 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.2 CNC1=CC=NC=C1 76167 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.2 CNC1=NC=CC=C1 F19549 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.2 COC1=CC=NC=C1 78629 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.2 COC1=CN=CC=C1 35432 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.2 COC1=NC=CC=C1 26095 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.2 CSC1=CC=CC=C1 D72508 [2,0,0,0,0,0|1,0,0]=3 441 B8R1.2 CSC1=NC=CC=C1 75585 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.2 ClCC1=CC=NC=C1 82047 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.2 ClCC1=CN=CC=C1 83428 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.2 ClCC1=NC=CC=C1 75521 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.2 Cl[Se]C1=CC=CC=C1 D78353 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.2 FCC1=CC=NC=C1 76121 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.2 ICC1=CC=CC=C1 27443 [2,0,0,0,0,0|1,0,0]=3 448 B8R1.2 N#CC1=CC=CC=C1 P19035 [2,0,0,0,0,0|1,0,1]=4 449 B8R1.2 NCC1=CC=CC=C1 D70185 [2,0,0,0,0,0|1,0,0]=3 450 B8R1.2 NCC1=CC=CN=C1 D70555 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.2 NCC1=CC=NC=C1 F11237 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.2 NCC1=NC=CC=C1 F11236 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.2 NNC1=CC=CC=C1 D77767 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.2 NNC1=CC=CC=C1 D91921 [2,0,0,0,0,0|2,0,0]=4 455 B8R1.2 NOC1=CC=CC=C1 74130 [2,0,0,0,0,0|2,0,0]=4 456 B8R1.2 O=CC1=CC=NC=C1 20088 [2,0,0,0,0,0|1,0,0]=3 457 B8R1.2 O=CC1=CN=CC=C1 65498 [2,0,0,0,0,0|1,0,0]=3 458 B8R1.2 O=CC1=CN=CN=C1 67525 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.2 O=CC1=CN=NC=C1 37051 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.2 O=CC1=NC=CC=C1 D77679 [2,0,0,0,0,0|1,0,0]=3 461 B8R1.2 O=CC1=NC=CC=N1 29684 [2,0,0,0,0,0|2,0,0]=4 462 B8R1.2 O=CC1=NC=CN=C1 24785 [2,0,0,0,0,0|2,0,0]=4 463 B8R1.2 O=CC1=NN=CC=C1 37062 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.2 O=NC1=CC=CC=C1 I10262 [2,0,0,0,0,0|1,0,0]=3 465 B8R1.2 O=[As]C1=CC=CC=C1 D91908 [2,0,0,0,0,0|1,0,0]=3 466 B8R1.2 O=[IH2]C1=CC=CC=C1 A11021 [2,0,0,0,0,0|1,0,0]=3 467 B8R1.2 OCC1=CC=CC=C1 D70182 [2,0,0,0,0,0|0,0,1]=3 468 B8R1.2 OCC1=CC=NC=C1 20084 [2,0,0,0,0,0|1,0,1]=4 469 B8R1.2 OCC1=CN=CC=C1 P16746 [2,0,0,0,0,0|1,0,1]=4 470 B8R1.2 OCC1=NC=CC=C1 AC7883 [2,0,0,0,0,0|1,0,1]=4 471 B8R1.2 ONC1=CC=CC=C1 C10630 [2,0,0,0,0,0|1,0,1]=4 472 B10R1.1 BrC1=CC=C(CCI)C=C1 68585 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.1 BrCCC1=CC=C(Br)C=C1 68581 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.1 CC1=CC=C(CC#N)C=C1 67688 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.1 CC1=CC=C(CC=O)C=C1 W16820 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.1 CC1=CC=C(CCBr)C=C1 64231 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.1 CC1=CC=C(CCN)C=C1 66611 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.1 CC1=CC=C(CCN)C=C1 66612 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.1 CC1=CC=C(CCO)C=C1 CK2469 [1,1,0,0,0,0|0,0,1]=3 480 B10R1.1 CC1=CC=C(N=C=O)C=C1 D92322 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.1 CC1=CC=C(NC=O)C=C1 D85912 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.1 CCCC1=CC=C(Br)C=C1 36843 [1,1,0,0,0,0|0,0,1]=3 483 B10R1.1 CCCC1=CC=C(Cl)C=C1 D89488 [1,1,0,0,0,0|0,0,1]=3 484 B10R1.1 CCCC1=CC=C(N)C=C1 F11809 [1,1,0,0,0,0|0,0,1]=3 485 B10R1.1 CCCC1=CC=C(O)C=C1 F16572 [1,1,0,0,0,0|0,0,1]=3 486 B10R1.1 CCNC1=CC=C(Cl)C=C1 D84614 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.1 CCOC1=CC=C(Br)C=C1 AC1306 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.1 CCOC1=CC=C(F)C=C1 C13912 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.1 CCOC1=CC=C(I)C=C1 25454 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.1 CCOC1=CC=C(O)C=C1 23058 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.1 CCSC1=CC=C(Br)C=C1 H10118 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.1 CNCC1=CC=C(Br)C=C1 30718 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.1 CNCC1=CC=C(Br)C=C1 34885 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.1 CNCC1=CC=C(C)C=C1 31931 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.1 CNCC1=CC=C(C)C=C1 35837 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.1 CNCC1=CC=C(Cl)C=C1 23650 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.1 CNCC1=CC=C(Cl)C=C1 32294 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.1 CNCC1=CC=C(F)C=C1 48475 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.1 CNCC1=CC=C(N)C=C1 28703 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.1 COCC1=CC=C(Br)C=C1 N10190 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.1 COCC1=CC=C(Cl)C=C1 N10137 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.1 COCC1=CC=C(N)C=C1 29846 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.1 ClC1=CC=C(CCBr)C=C1 CL8864 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.1 ClCCC1=CC=C(Cl)C=C1 35628 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.1 FC1=CC=C(CCBr)C=C1 23623 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.1 N#CCC1=CC=C(Br)C=C1 P16510 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.1 N#CCC1=CC=C(Cl)C=C1 D70879 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.1 N#CCC1=CC=C(F)C=C1 S12395 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.1 N#CCC1=CC=C(I)C=C1 CK1021 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.1 N#CCC1=CC=C(N)C=C1 51112 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.1 N#CCC1=CC=C(O)C=C1 74178 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.1 NC1=CC=C(CCBr)C=C1 D92972 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.1 NC1=CC=C(CCO)C=C1 20136 [1,1,0,0,0,0|0,0,1]=3 514 B10R1.1 NCCC1=CC=C(Br)C=C1 56022 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.1 NCCC1=CC=C(Br)C=C1 56042 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.1 NCCC1=CC=C(Cl)C=C1 57784 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.1 NCCC1=CC=C(Cl)C=C1 57785 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.1 NCCC1=CC=C(F)C=C1 61110 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.1 NCCC1=CC=C(F)C=C1 D97693 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.1 NCCC1=CC=C(N)C=C1 51454 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.1 NCCC1=CC=C(N)C=C1 51455 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.1 NCCC1=CC=C(O)C=C1 AC1814 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.1 NCCC1=CC=C(O)C=C1 S12325 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.1 NCCC1=NC=C(Br)C=C1 AT24808 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.1 NNCC1=CC=C(Br)C=C1 37004 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.1 NNCC1=CC=C(Cl)C=C1 37007 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.1 NNCC1=CC=C(F)C=C1 25259 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.1 NOCC1=CC=C(F)C=C1 C10796 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 D78335 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.1 O=CCC1=CC=C(Br)C=C1 68586 [1,1,0,0,0,0|0,0,0]=2 531 B10R1.1 O=CCC1=CC=C(F)C=C1 H10605 [1,1,0,0,0,0|0,0,0]=2 532 B10R1.1 O=CNC1=CC=C(Cl)C=C1 57440 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.1 OC1=CC=C(CCBr)C=C1 C10633 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.1 OCCC1=CC=C(Br)C=C1 56096 [1,1,0,0,0,0|0,0,1]=3 535 B10R1.1 OCCC1=CC=C(Cl)C=C1 CK2459 [1,1,0,0,0,0|0,0,1]=3 536 B10R1.1 OCCC1=CC=C(F)C=C1 67685 [1,1,0,0,0,0|0,0,1]=3 537 B10R1.1 OCCC1=CC=C(I)C=C1 23437 [1,1,0,0,0,0|0,0,1]=3 538 B10R1.1 OCCC1=CC=C(O)C=C1 36252 [1,1,0,0,0,0|0,0,1]=3 539 B10R1.1 OCCC1=CN=C(Cl)C=C1 11172 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.4 BrCCC1=C(Br)C=CC=C1 AB10028 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.4 C=CCC1=C(Br)C=CC=C1 A10076 [1,1,0,0,0,0|0,0,1]=3 542 B10R1.4 C=CCC1=C(O)C=CC=C1 F18833 [1,1,0,0,0,0|0,0,1]=3 543 B10R1.4 CC1=C(CC#N)C=CC=C1 CK2042 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.4 CC1=C(CCBr)C=CC=C1 F19986 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.4 CC1=C(CCO)C=CC=C1 58187 [1,1,0,0,0,0|0,0,1]=3 546 B10R1.4 CC1=C(N=C=O)C=CC=C1 D78369 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.4 CC1=C(NC=O)C=CC=C1 W11048 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.4 CCCC1=C(N)C=CC=C1 65648 [1,1,0,0,0,0|0,0,1]=3 549 B10R1.4 CCNC1=C(N)C=CC=C1 D82949 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.4 CCOC1=C(Br)C=CC=C1 75484 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.4 CCOC1=C(O)C=CC=C1 D72674 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.4 CNCC1=C(Br)C=CC=C1 29110 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.4 CNCC1=C(C)C=CC=C1 I12011 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.4 CNCC1=C(Cl)C=CC=C1 30117 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.4 CNCC1=C(F)C=CC=C1 29111 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.4 CNCC1=C(O)C=CC=C1 D91425 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.4 CSCC1=C(Br)C=CC=C1 W18565 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.4 CSCC1=C(F)C=CC=C1 W18462 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.4 ClC1=C(CCBr)C=CC=C1 CL8847 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.4 FC1=C(CCBr)C=CC=C1 61062 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.4 FC1=C(CCCl)C=CC=C1 AC1210 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.4 N#CCC1=C(Br)C=CC=C1 AB10428 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.4 N#CCC1=C(Cl)C=CC=C1 S12394 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.4 N#CCC1=C(F)C=CC=C1 S12370 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.4 N#CCC1=C(I)C=CC=C1 CK2046 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.4 N#CCC1=C(N)C=CC=C1 CL8752 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.4 NC1=C(CCO)C=CC=C1 28778 [1,1,0,0,0,0|0,0,1]=3 568 B10R1.4 NCCC1=C(Br)C=CC=C1 36255 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.4 NCCC1=C(Cl)C=CC=C1 57778 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.4 NCCC1=C(Cl)C=CC=C1 57779 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.4 NCCC1=C(F)C=CC=C1 28446 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.4 NCCC1=C(N)C=CC=C1 51437 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.4 NNCC1=C(Cl)C=CC=C1 37008 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.4 NNCC1=C(F)C=CC=C1 24533 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.4 NNCC1=C(F)C=CC=C1 37003 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.4 NNCC1=C(F)C=CC=C1 H10997 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.4 NOCC1=C(F)C=CC=C1 F19860 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.4 O=C1C=CC=CN1CCBr AT19230 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.4 O=C1C=CC=CN1CCO AT19225 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 C13353 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.4 O=C=NC1=C(F)C=CC=C1 D91128 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.4 OCCC1=C(Br)C=CC=C1 35280 [1,1,0,0,0,0|0,0,1]=3 583 B10R1.4 OCCC1=C(Cl)C=CC=C1 29869 [1,1,0,0,0,0|0,0,1]=3 584 B10R1.4 OCCC1=C(F)C=CC=C1 67766 [1,1,0,0,0,0|0,0,1]=3 585 B10R1.4 OCCC1=C(I)C=CC=C1 I12014 [1,1,0,0,0,0|0,0,1]=3 586 B10R1.4 OCCC1=C(O)C=CC=C1 AB17761 [1,1,0,0,0,0|0,0,1]=3 587 B10R1.10 BrCCC1=CC=CC(Br)=C1 20780 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.10 CC1=CC=CC(CC#N)=C1 CK2045 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.10 CC1=CC=CC(CCBr)=C1 F20015 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.10 CC1=CC=CC(CCN)=C1 66804 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.10 CC1=CC=CC(CCN)=C1 79173 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.10 CC1=CC=CC(CCO)=C1 CK1130 [1,1,0,0,0,0|0,0,1]=3 593 B10R1.10 CC1=CC=CC(CCO)=N1 H11169 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.10 CC1=CC=CC(CNN)=C1 W16033 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.10 CCCC1=CC=CC(N)=N1 79666 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.10 CCCC1=NC=CC(Br)=C1 S10806 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.10 CCNC1=CC=CC(Br)=C1 AC1752 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.10 CCOC1=CC(N)=CC=C1 S10428 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.10 CCOC1=CC=CC(Br)=C1 56094 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.10 CCOC1=CC=CC(F)=C1 N11995 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.10 CNCC1=CC(N)=CC=C1 D84175 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.10 CNCC1=CC=CC(Br)=C1 31843 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.10 CNCC1=CC=CC(Br)=C1 55408 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.10 CNCC1=CC=CC(Cl)=C1 F16150 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.10 CNCC1=CC=CC(F)=C1 36788 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.10 CNCC1=CC=CC(F)=C1 FD7354 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.10 CNCC1=CC=CC(O)=C1 30625 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.10 COCC1=CC=CC(Br)=C1 N10086 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.10 ClC1=CC=CC(CCBr)=C1 31191 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.10 FC1=CC=CC(CCBr)=C1 CL8842 [1,1,0,0,0,0|1,0,0]=3 611 B10R1.10 N#CCC1=CC(N)=CC=C1 26201 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.10 N#CCC1=CC=CC(Br)=C1 67771 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.10 N#CCC1=CC=CC(F)=C1 67625 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.10 N#CCC1=CC=CC(I)=C1 CK2047 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.10 N#CCC1=CC=CC(O)=C1 C74311 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.10 NC1=CC=CC(CCO)=C1 AB8062 [1,1,0,0,0,0|0,0,1]=3 617 B10R1.10 NCCC1=CC=CC(Br)=C1 11061 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.10 NCCC1=CC=CC(Br)=C1 56020 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.10 NCCC1=CC=CC(Cl)=C1 57780 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.10 NCCC1=CC=CC(F)=C1 61108 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.10 NCCC1=CC=CC(N)=C1 51930 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.10 NCCC1=CC=CC(O)=C1 51439 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.10 NCCC1=CC=CC(O)=C1 51440 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.10 NNCC1=CC=CC(Cl)=C1 74964 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.10 NNCC1=CC=CC(F)=C1 37002 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.10 NNCC1=CC=CC(O)=C1 62430 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.10 O=C=NC1=CC=CC(Br)=C1 D91180 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.10 OC1=CC=CC(CCBr)=C1 D84479 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.10 OCCC1=CC=CC(Br)=C1 AB3194 [1,1,0,0,0,0|0,0,1]=3 630 B10R1.10 OCCC1=CC=CC(Cl)=C1 35417 [1,1,0,0,0,0|0,0,1]=3 631 B10R1.10 OCCC1=CC=CC(F)=C1 AB7288 [1,1,0,0,0,0|0,0,1]=3 632 B10R1.10 OCCC1=CC=CC(O)=C1 52366 [1,1,0,0,0,0|0,0,1]=3 633 B10R1.15 BrC[C@H](Br)C1=CC=CC=C1 D89942 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 AC1347 [1,1,0,0,0,0|0,0,2]=4 635 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 D74327 [1,1,0,0,0,0|1,0,1]=4 636 B10R1.15 CC[C@H](N)C1=CC=CC=C1 A11524 [1,1,0,0,0,0|0,0,1]=3 637 B10R1.15 CC[C@H](N)C1=CC=CC=C1 F11436 [1,1,0,0,0,0|0,0,1]=3 638 B10R1.15 CC[C@H](N)C1=CC=CN=C1 30679 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.15 CC[C@H](N)C1=NC=CC=C1 D80730 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.15 CC[C@H](O)C1=CC=CC=C1 S11247 [1,1,0,0,0,0|0,0,1]=3 641 B10R1.15 CN(N=O)C1=CC=CC=C1 F16699 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 30941 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 D82152 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 N12133 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 H11244 [1,1,0,0,0,0|0,0,0]=2 646 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 23817 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 28511 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 65652 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AC1145 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 F13480 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 F13479 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.15 N#C[C@@H](Br)C1=CC=CC=C1 26499 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11982 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 A11559 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.15 NCC(=O)C1=CC=CC=C1 22016 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.15 NC[C@H](O)C1=CC=CC=C1 52103 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.15 NC[C@H](O)C1=CC=CC=C1 66448 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1187 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1190 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.15 NC[C@H](O)C1=CN=CC=C1 26739 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.15 NC[C@H](O)C1=CN=CC=C1 AR2873 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.15 NC[C@H](O)C1=NC=CC=C1 AR2870 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 29543 [1,1,0,0,0,0|0,0,1]=3 664 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 29545 [1,1,0,0,0,0|0,0,1]=3 665 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 39463 [1,1,0,0,0,0|0,0,1]=3 666 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 O10643 [1,1,0,0,0,0|0,0,1]=3 667 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 S11997 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.15 O=C(CBr)C1=CC=CC=C1 22015 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.15 O=C(CF)C1=CC=CC=C1 71741 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.15 O=C(CO)C1=CC=CC=C1 11027 [1,1,0,0,0,0|0,0,2]=4 671 B10R1.15 O=CC(=O)C1=CC=CC=C1 O10845 [1,1,0,0,0,0|0,0,1]=3 672 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD10472 [1,1,0,0,0,0|0,0,1]=3 673 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD1181 [1,1,0,0,0,0|0,0,1]=3 674 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD1184 [1,1,0,0,0,0|0,0,1]=3 675 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 34752 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 D83182 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 D89568 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.18 CC(=O)NC1=CC=NC=C1 D88476 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.18 CC(=O)NC1=CN=CC=C1 D76087 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.18 CC(=O)NC1=NC=CC=C1 H10380 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.18 CC(=O)OC1=CN=CC=C1 D88394 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.18 CC(=S)NC1=CC=CC=C1 81311 [1,1,0,0,0,0|1,1,0]=4 689 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.18 CC(C)NC1=CC=CC=C1 D70367 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.18 CC(C)OC1=CC=CC=C1 I10258 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [1,1,0,0,0,0|0,0,1]=3 693 B10R1.18 C[Si](C)CC1=CC=CC=C1 D89172 [1,1,0,0,0,0|0,1,1]=4 694 B10R1.18 ClC(Cl)[SiH2]C1=CC=CC=C1 D97657 [1,1,0,0,0,0|1,1,0]=4 695 B10R1.18 FC(F)OC1=CC=CC=C1 I10218 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.18 N=C(N)NC1=CC=CC=C1 71104 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.18 N=C(N)NC1=CC=CC=C1 A11453 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [1,1,0,0,0,0|0,0,0]=2 699 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 D87783 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [1,1,0,0,0,0|0,0,0]=2 704 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [1,1,0,0,0,0|0,0,0]=2 705 B10R1.18 O=C(O)CC1=CC=NC=C1 65460 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.18 O=C(O)CC1=CC=NC=C1 65461 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.18 O=C(O)CC1=CN=CC=C1 23119 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.18 O=C(O)CC1=CN=CC=C1 28500 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.18 O=C(O)CC1=NC=CC=C1 31161 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.18 O=C(O)CC1=NC=CC=N1 29338 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.18 O=C(O)CC1=NC=CN=C1 69865 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 D85775 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.18 O=C([O-])CC1=NC=CC=N1 P14674 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.18 S=C(Cl)OC1=CC=CC=C1 C10635 [1,1,0,0,0,0|1,1,0]=4 715 B10R1.18 S=C(Cl)SC1=CC=CC=C1 D92096 [1,1,0,0,0,0|1,1,0]=4 716 B10R1.16 CC1=CC=C(CCC=O)O1 D82231 [0,1,0,0,1,0|1,0,0]=3 717 B10R1.21 O=C=NCCC1=CC=CS1 D95011 [0,1,0,0,1,0|1,0,1]=4 718 B10R1.66 CC(=O)OCC1=CC=CO1 F14839 [0,1,0,0,1,0|2,0,0]=4 719 B10R1.66 O=C(O)CCC1=CC=CO1 68597 [0,1,0,0,1,0|1,0,0]=3 720 B10R1.66 O=C(O)CCC1=CNC=N1 78777 [0,1,0,0,1,0|2,0,0]=4 721 B10R1.66 O=C(O)CCC1=CSC=C1 W13262 [0,1,0,0,1,0|1,0,0]=3 722 B10R1.66 O=C(O)CCN1C=CC=C1 30775 [0,1,0,0,1,0|1,0,0]=3 723 B10R1.66 O=C(O)CCN1C=CN=C1 25902 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.66 O=C(O)CCN1C=CN=C1 D83559 [0,1,0,0,1,0|2,0,0]=4 725 B12R1.1 BrCCCCC1=CC=C(Br)C=C1 D80497 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.1 CCCCCC1=CC=C(Br)C=C1 28615 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.1 CCCCCC1=CC=C(N)C=C1 D88359 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.1 CCCCCC1=CC=C(O)C=C1 27300 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.1 CCCCOC1=CC=C(N)C=C1 D70221 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.1 CCCCOC1=CC=C(O)C=C1 D70503 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.1 COCCOC1=CC=C(Br)C=C1 88344 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.1 COCCOC1=CC=C(N)C=C1 24464 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 20619 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 S10484 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 AC1674 [0,2,0,0,0,0|1,0,1]=4 736 B12R1.1 NCCCOC1=CC=C(F)C=C1 30579 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.1 OCCCOC1=CC=C(F)C=C1 50037 [0,2,0,0,0,0|0,0,2]=4 738 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 50781 [0,2,0,0,0,0|0,0,2]=4 739 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66823 [0,2,0,0,0,0|0,0,2]=4 740 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 N12380 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 D92240 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42155 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 51807 [0,2,0,0,0,0|0,0,2]=4 744 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55912 [0,2,0,0,0,0|0,0,2]=4 745 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55926 [0,2,0,0,0,0|0,0,2]=4 746 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58164 [0,2,0,0,0,0|0,0,2]=4 747 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58175 [0,2,0,0,0,0|0,0,2]=4 748 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61116 [0,2,0,0,0,0|0,0,2]=4 749 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61117 [0,2,0,0,0,0|0,0,2]=4 750 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 32309 [0,2,0,0,0,0|0,0,0]=2 751 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 D70581 [0,2,0,0,0,0|0,0,0]=2 752 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 73930 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 C78568 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 D83902 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 D97438 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.21 CC(=O)OCC1=CC=C(Cl)C=C1 C10410 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C11421 [0,2,0,0,0,0|0,0,2]=4 758 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 76168 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 A50584 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 71044 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC7520 [0,2,0,0,0,0|0,0,2]=4 762 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 S10418 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 40371 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 A10202 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 T72839 [0,2,0,0,0,0|0,0,2]=4 766 B12R1.21 N=C(N)SCC1=CC=C(Cl)C=C1 AR2243 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.21 NC(=O)C#CC1=CC=C(Cl)C=C1 83540 [0,2,0,0,0,0|0,0,2]=4 768 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 35369 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 68781 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 CK2534 [0,2,0,0,0,0|0,0,2]=4 771 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AB3203 [0,2,0,0,0,0|0,0,0]=2 772 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 33552 [0,2,0,0,0,0|0,0,0]=2 773 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AB7295 [0,2,0,0,0,0|0,0,0]=2 774 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 35011 [0,2,0,0,0,0|0,0,0]=2 775 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AT13193 [0,2,0,0,0,0|0,0,0]=2 776 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 CS1182 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 A50579 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 A50588 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 A50587 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 78056 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 AT23403 [0,2,0,0,0,0|1,0,0]=3 782 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 W11890 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 75256 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AB6442 [0,2,0,0,0,0|0,0,2]=4 785 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 S12285 [0,2,0,0,0,0|0,0,2]=4 786 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 78053 [0,2,0,0,0,0|0,0,2]=4 787 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC7879 [0,2,0,0,0,0|0,0,2]=4 788 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC7957 [0,2,0,0,0,0|0,0,2]=4 789 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CK2547 [0,2,0,0,0,0|0,0,2]=4 790 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 D95165 [0,2,0,0,0,0|0,0,2]=4 791 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C10910 [0,2,0,0,0,0|0,0,2]=4 792 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 D97455 [0,2,0,0,0,0|0,0,2]=4 793 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 74014 [0,2,0,0,0,0|1,0,1]=4 794 B12R1.71 C#CC1=CC=C(CCCC)C=C1 21008 [0,2,0,0,0,0|1,0,1]=4 795 B12R1.71 CCCCC1=CC=C(C#N)C=C1 D97359 [0,2,0,0,0,0|1,0,1]=4 796 B12R1.71 CCCCC1=CC=C(C=O)C=C1 D86806 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.71 CCCCC1=CC=C(CBr)C=C1 H10199 [0,2,0,0,0,0|1,0,1]=4 798 B12R1.71 CCCCC1=CC=C(CN)C=C1 D81948 [0,2,0,0,0,0|1,0,1]=4 799 B12R1.71 CNCCC1=CC=C(OC)C=C1 29820 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.71 COC1=CC=C(CCCN)C=C1 64244 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.71 COC1=CC=C(CCCN)C=C1 64245 [0,2,0,0,0,0|1,0,1]=4 802 B12R1.71 COC1=CC=C(CCCO)C=C1 F52593 [0,2,0,0,0,0|0,0,2]=4 803 B12R1.71 COC1=CC=C(CNC=O)C=C1 AB9534 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 D82618 [0,2,0,0,0,0|0,0,2]=4 805 B12R1.71 N#CC1=CC=C(CCCO)C=C1 36216 [0,2,0,0,0,0|0,0,2]=4 806 B12R1.385 CCCCC1=CC(C)=C(N)C=C1 D86259 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.385 CCCCC1=CC(O)=C(O)C=C1 D84238 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66832 [0,2,0,0,0,0|0,0,2]=4 809 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66833 [0,2,0,0,0,0|0,0,2]=4 810 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 80038 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D70603 [0,2,0,0,0,0|2,0,0]=4 812 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55913 [0,2,0,0,0,0|0,0,2]=4 813 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55915 [0,2,0,0,0,0|0,0,2]=4 814 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55917 [0,2,0,0,0,0|0,0,2]=4 815 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55924 [0,2,0,0,0,0|0,0,2]=4 816 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 11352 [0,2,0,0,0,0|0,0,2]=4 817 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62479 [0,2,0,0,0,0|0,0,2]=4 818 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62483 [0,2,0,0,0,0|0,0,2]=4 819 B12R1.30 C#CCN[C@@H](C)C1=CC=CC=C1 F53214 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.30 C=CCN[C@@H](C)C1=CC=CC=C1 D80854 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 D88886 [0,2,0,0,0,0|1,0,1]=4 822 B12R1.30 CCCCC(=O)C1=CC=CC=C1 AC8072 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.30 CCCCN(N)C1=CC=CC=C1 D88913 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.30 CN(C=CC=O)C1=CC=CC=C1 D95861 [0,2,0,0,0,0|0,0,2]=4 825 B12R1.30 CN(CCC#N)C1=CC=CC=C1 H10690 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.30 CN(CCCN)C1=CC=CC=C1 D88411 [0,2,0,0,0,0|1,0,1]=4 827 B12R1.30 CNCCC(=O)C1=CC=CC=C1 C74316 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.30 CNCC[C@H](O)C1=CC=CC=C1 F17750 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.39 C=CCS(=O)(=O)C1=CC=CC=C1 D88437 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.39 C=CC[C@](C)(O)C1=CC=CC=C1 D92113 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 77874 [0,2,0,0,0,0|0,0,1]=3 832 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 W15978 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 AC2474 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.107 CC(=O)N[C@@H](C)C1=CC=CC=C1 C11678 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 AR3518 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 31939 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 D88640 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65104 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65105 [0,2,0,0,0,0|0,0,0]=2 840 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 65106 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 F12097 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 FD1091 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 N12395 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 FD1325 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58180 [0,2,0,0,0,0|0,0,2]=4 846 B12R1.121 C=CCOC1=C(C=O)C=CC=C1 W11340 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.121 COC1=C(\C=C\C=O)C=CC=C1 O10862 [0,2,0,0,0,0|0,0,2]=4 848 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 CL8849 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 S12092 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 73977 [0,2,0,0,0,0|0,0,2]=4 851 B12R1.125 NC(=O)CCC1=C(O)C=CC=C1 D84146 [0,2,0,0,0,0|0,0,0]=2 852 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 AB3202 [0,2,0,0,0,0|0,0,0]=2 853 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 75611 [0,2,0,0,0,0|0,0,0]=2 854 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 AB3822 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 S10171 [0,2,0,0,0,0|0,0,0]=2 856 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 F16128 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 FD10490 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 30753 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.125 O=C(O)CSC1=C(Cl)C=CC=C1 C13412 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 28628 [0,2,0,0,0,0|0,0,2]=4 861 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 D73309 [0,2,0,0,0,0|0,0,2]=4 862 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 AC7821 [0,2,0,0,0,0|0,0,2]=4 863 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC7832 [0,2,0,0,0,0|0,0,2]=4 864 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 42496 [0,2,0,0,0,0|0,0,2]=4 865 B12R1.267 BrCCCOC1=C(Br)C=CC=C1 CS1173 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.267 CC1=C(OCCCN)C=CC=C1 29063 [0,2,0,0,0,0|1,0,1]=4 867 B12R1.267 COCCOC1=C(N)C=CC=C1 C78424 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.267 N#CCCOC1=C(Br)C=CC=C1 S10556 [0,2,0,0,0,0|1,0,1]=4 869 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N10848 [0,2,0,0,0,0|0,0,2]=4 870 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F A11927 [0,2,0,0,0,0|0,0,2]=4 871 B12R1.28 CC1=CC=CC(NCCC#N)=C1 D97374 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.28 CCCCOC1=CC(O)=CC=C1 D83059 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.100 OCCCC1=CC(Cl)=CC(Cl)=C1 D93902 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 66560 [0,2,0,0,0,0|0,0,0]=2 875 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 F16054 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 66558 [0,2,0,0,0,0|0,0,2]=4 877 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 AC7519 [0,2,0,0,0,0|0,0,2]=4 878 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 I11525 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 33491 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 33548 [0,2,0,0,0,0|0,0,0]=2 881 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 34301 [0,2,0,0,0,0|0,0,0]=2 882 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 61032 [0,2,0,0,0,0|0,0,0]=2 883 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 Y10997 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 37702 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 38120 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 F15419 [0,2,0,0,0,0|0,0,2]=4 887 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AB6441 [0,2,0,0,0,0|0,0,2]=4 888 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 75802 [0,2,0,0,0,0|0,0,2]=4 889 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC7822 [0,2,0,0,0,0|0,0,2]=4 890 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CK2538 [0,2,0,0,0,0|0,0,2]=4 891 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P19618 [0,2,0,0,0,0|0,0,2]=4 892 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 79770 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.382 CNCCC1=CC=CC(OC)=C1 C15606 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.382 COC1=CC(CCCO)=CC=C1 C78421 [0,2,0,0,0,0|0,0,2]=4 895 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.8 BrCCCCOC1=CC=CC=C1 C11349 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.8 BrCCCOCC1=CC=CC=C1 33009 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.8 C=CCCNCC1=CC=CC=C1 W12766 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.8 CCCCC#CC1=CC=CC=C1 D71011 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [0,2,0,0,0,0|1,0,1]=4 902 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.8 ClCCCCOC1=CC=CC=C1 D85909 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.8 N#CCCOCC1=CC=CC=C1 D84177 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.8 N#CCC[NH2+]CC1=CC=CC=C1 D85877 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.8 NCCCNCC1=CC=CC=C1 23518 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.8 O=CCCOCC1=CC=CC=C1 W18571 [0,2,0,0,0,0|0,0,0]=2 909 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [0,2,0,0,0,0|0,0,2]=4 910 B12R1.8 OCCCNCC1=CC=CC=C1 29589 [0,2,0,0,0,0|0,0,2]=4 911 B12R1.8 OCCCNCC1=CC=CC=C1 W11523 [0,2,0,0,0,0|0,0,2]=4 912 B12R1.8 OCCCOCC1=CC=CC=C1 29440 [0,2,0,0,0,0|0,0,2]=4 913 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 87488 [0,2,0,0,0,0|1,0,0]=3 914 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 AB6137 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.27 COC(=O)C#CC1=CC=CC=C1 D70333 [0,2,0,0,0,0|0,0,2]=4 916 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [0,2,0,0,0,0|0,0,0]=2 917 B12R1.27 COC(=O)CCC1=CN=CC=C1 D94758 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 P16737 [0,2,0,0,0,0|0,0,2]=4 920 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 79303 [0,2,0,0,0,0|0,0,2]=4 921 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 W12270 [0,2,0,0,0,0|0,0,2]=4 922 B12R1.27 NCC(=O)NCC1=CC=CC=C1 D97353 [0,2,0,0,0,0|1,0,0]=3 923 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F21128 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.27 NCC(=O)OCC1=CC=CC=C1 20050 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21614 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.27 NCC(=O)OCC1=CC=CC=C1 FD21621 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.27 NNC(=O)COC1=CC=CC=C1 D84136 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.27 NNC(=O)OCC1=CC=CC=C1 C93486 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.27 NNC(=S)NCC1=CC=CC=C1 32936 [0,2,0,0,0,0|1,1,0]=4 931 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 P19617 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 S11886 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 76813 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.27 O=C(CO)OCC1=CC=CC=C1 AB8174 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.27 O=C(CS)OCC1=CC=CC=C1 D96019 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.27 O=C(NO)OCC1=CC=CC=C1 70490 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 D92114 [0,2,0,0,0,0|0,0,2]=4 938 B12R1.32 CCCC(=O)CC1=CC=CC=C1 F19922 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.32 CN(CC#N)CC1=CC=CC=C1 AB6232 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.32 CN(CCN)CC1=CC=CC=C1 65355 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.32 CN(CCO)CC1=CC=CC=C1 D70360 [0,2,0,0,0,0|0,0,2]=4 942 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 90350 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.252 CN(C)CCOC1=CC=CC=C1 35711 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [0,2,0,0,0,0|0,0,2]=4 948 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [0,2,0,0,0,0|0,0,2]=4 949 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [0,2,0,0,0,0|0,0,2]=4 950 B12R1.252 Cl[SiH](Cl)CCCC1=CC=CC=C1 D95413 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [0,2,0,0,0,0|0,1,0]=3 952 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [0,2,0,0,0,0|0,0,0]=2 953 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [0,2,0,0,0,0|0,0,0]=2 954 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [0,2,0,0,0,0|0,0,0]=2 955 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [0,2,0,0,0,0|0,0,0]=2 956 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [0,2,0,0,0,0|0,0,0]=2 957 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [0,2,0,0,0,0|0,0,0]=2 958 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [0,2,0,0,0,0|0,0,0]=2 959 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [0,2,0,0,0,0|0,0,0]=2 960 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [0,2,0,0,0,0|0,0,1]=3 961 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [0,2,0,0,0,0|0,0,0]=2 962 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O F13740 [0,2,0,0,0,0|0,0,1]=3 963 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 65146 [0,2,0,0,0,0|1,0,0]=3 964 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O AR3815 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.43 C[C@H](OC1=CC=CC=C1)C(N)=O AR2180 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [0,2,0,0,0,0|0,0,0]=2 967 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [0,2,0,0,0,0|0,0,0]=2 968 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [0,2,0,0,0,0|0,0,0]=2 969 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [0,2,0,0,0,0|0,0,0]=2 972 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [0,2,0,0,0,0|0,0,0]=2 974 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [0,2,0,0,0,0|0,0,0]=2 975 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 50941 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O C10909 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O O10212 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O W16799 [0,2,0,0,0,0|1,0,0]=3 979 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 24145 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 34743 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O C74797 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O H10629 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50237 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50238 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A50249 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 D91915 [0,2,0,0,0,0|0,0,1]=3 987 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [0,2,0,0,0,0|0,0,0]=2 991 B12R1.194 CC[C@](C)(O)CC1=CC=CC=C1 D91562 [0,2,0,0,0,0|1,0,1]=4 992 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CL8740 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 D91950 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.891 O=S(=O)(O)CCC1=NC=CC=C1 D91949 [0,2,0,0,0,0|2,0,0]=4 995 B10R2.6 C1=CC=C(C2CC2)C=C1 59390 [1,0,0,1,0,0|0,0,1]=3 996 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 AC8296 [1,0,0,1,0,0|0,0,1]=3 997 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 F20441 [1,0,0,1,0,0|0,0,1]=3 998 B10R2.7 C1=CC2=C(C=C1)CC=C2 D72500 [1,0,0,1,0,0|0,0,1]=3 999 B10R2.7 C1=CC2=C(C=C1)CCC2 D97393 [1,0,0,1,0,0|0,0,1]=3 1000 B10R2.7 C1=CC2=C(C=C1)CNC2 62864 [1,0,0,1,0,0|1,0,1]=4 1001 B10R2.7 C1=CC2=C(C=C1)CNC2 SC3601 [1,0,0,1,0,0|1,0,1]=4 1002 B10R2.7 C1=CC2=C(C=C1)COC2 D77530 [1,0,0,1,0,0|1,0,1]=4 1003 B10R2.7 C1=CC2=C(C=C1)NC=N2 D70829 [1,0,0,1,0,0|2,0,0]=4 1004 B10R2.7 C1=CC2=C(C=C1)NCC2 P19974 [1,0,0,1,0,0|1,0,0]=3 1005 B10R2.7 C1=CC2=C(C=C1)NN=C2 P10014 [1,0,0,1,0,0|2,0,0]=4 1006 B10R2.7 C1=CC2=C(C=C1)OC=N2 H10149 [1,0,0,1,0,0|1,0,1]=4 1007 B10R2.7 C1=CC2=C(C=C1)OCC2 F10902 [1,0,0,1,0,0|0,0,1]=3 1008 B10R2.7 C1=CC2=C(C=C1)OCO2 D70968 [1,0,0,1,0,0|1,0,1]=4 1009 B10R2.7 C1=CC2=C(C=C1)ON=C2 53958 [1,0,0,1,0,0|2,0,0]=4 1010 B10R2.7 C1=CC2=C(C=C1)SC=C2 23043 [1,0,0,1,0,0|0,1,1]=4 1011 B10R2.7 C1=CC2=C(C=C1)SC=N2 D77749 [1,0,0,1,0,0|1,1,0]=4 1012 B10R2.7 C1=CC2=C(C=C1)SN=C2 D83233 [1,0,0,1,0,0|2,0,0]=4 1013 B10R2.7 C1=CC2=CNN=C2C=C1 D83794 [1,0,0,1,0,0|2,0,0]=4 1014 B10R2.7 C1=CN=C2CCCC2=C1 85228 [1,0,0,1,0,0|1,0,1]=4 1015 B10R2.7 C1=CN=C2CCNC2=C1 AC8217 [1,0,0,1,0,0|2,0,0]=4 1016 B10R2.7 C1=CN=C2NCCC2=C1 67567 [1,0,0,1,0,0|2,0,0]=4 1017 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 67855 [1,0,0,1,0,0|1,0,0]=3 1018 B10R2.320 O[C@H]1CC2=C1C=CC=C2 67860 [1,0,0,1,0,0|0,0,1]=3 1019 B10R2.32 O=C1CCC2=C1C=CS2 94514 [0,0,0,1,1,0|1,0,0]=3 1020 B10R2.32 O=C1CCC2=C1SC=C2 26495 [0,0,0,1,1,0|1,0,0]=3 1021 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 N10556 [0,1,0,1,0,0|1,0,1]=4 1022 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 51828 [0,1,0,1,0,0|1,0,1]=4 1023 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 VT1291 [0,1,0,1,0,0|1,0,1]=4 1024 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 51827 [0,1,0,1,0,0|2,0,0]=4 1025 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SC2011 [0,1,0,1,0,0|2,0,0]=4 1026 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 82299 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 83307 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 69845 [0,1,0,1,0,0|1,0,1]=4 1029 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 I11494 [0,1,0,1,0,0|0,0,2]=4 1030 B12R2.24 CC1=CC2=C(C=C1)CCNC2 26311 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.24 CC1=CC2=C(C=C1)CCNC2 71799 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.24 CC1=CC2=C(C=C1)CNCC2 64316 [0,1,0,1,0,0|2,0,0]=4 1033 B12R2.24 CC1=CC2=C(C=C1)NCCC2 D91482 [0,1,0,1,0,0|1,0,1]=4 1034 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [0,1,0,1,0,0|1,0,1]=4 1035 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 VT1294 [0,1,0,1,0,0|1,0,1]=4 1036 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 83051 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 36162 [0,1,0,1,0,0|1,0,1]=4 1038 B12R2.24 FC1=CC2=C(C=C1)CCNC2 90641 [0,1,0,1,0,0|2,0,0]=4 1039 B12R2.24 FC1=CC2=C(C=C1)CNCC2 61244 [0,1,0,1,0,0|2,0,0]=4 1040 B12R2.24 FC1=CC2=C(C=C1)CNCC2 W17761 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.24 FC1=CC2=C(C=C1)NCCC2 F11863 [0,1,0,1,0,0|1,0,1]=4 1042 B12R2.24 NC1=CC2=C(C=C1)CCCN2 28957 [0,1,0,1,0,0|1,0,1]=4 1043 B12R2.24 NC1=CC2=C(C=C1)CCNC2 28043 [0,1,0,1,0,0|2,0,0]=4 1044 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20327 [0,1,0,1,0,0|0,0,2]=4 1045 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [0,1,0,1,0,0|1,0,1]=4 1046 B12R2.24 O=C1C=C2C=CC=CC2=CN1 P10536 [0,1,0,1,0,0|1,0,1]=4 1047 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 D81844 [0,1,0,1,0,0|0,0,2]=4 1048 B12R2.24 O=C1C=NC2=C(C=CC=C2)N1 F16123 [0,1,0,1,0,0|1,0,1]=4 1049 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [0,1,0,1,0,0|1,0,0]=3 1050 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [0,1,0,1,0,0|0,0,0]=2 1051 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 64816 [0,1,0,1,0,0|0,0,0]=2 1052 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 D70234 [0,1,0,1,0,0|0,0,0]=2 1053 B12R2.24 O=C1CCN2C=CC=CC2=N1 77967 [0,1,0,1,0,0|1,0,0]=3 1054 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 69683 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.24 O=C1COC2=C(C=CC=C2)N1 64814 [0,1,0,1,0,0|1,0,0]=3 1056 B12R2.24 O=C1COC2=C(C=CC=C2)O1 W17423 [0,1,0,1,0,0|1,0,0]=3 1057 B12R2.24 O=C1COC2=CC=CN=C2N1 30018 [0,1,0,1,0,0|2,0,0]=4 1058 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 Y10089 [0,1,0,1,0,0|1,0,0]=3 1059 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 F19976 [0,1,0,1,0,0|1,0,0]=3 1060 B12R2.24 OC1=CC2=C(C=C1)CCCC2 O11319 [0,1,0,1,0,0|1,0,1]=4 1061 B12R2.24 OC1=CC2=C(C=C1)CCCN2 62510 [0,1,0,1,0,0|1,0,1]=4 1062 B12R2.24 OC1=CC2=C(C=C1)CNCC2 62444 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.24 OC1=CC2=C(C=C1)CNCC2 62445 [0,1,0,1,0,0|2,0,0]=4 1064 B12R2.24 OC1=CC2=C(C=C1)NCCC2 25056 [0,1,0,1,0,0|1,0,1]=4 1065 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [0,1,0,1,0,0|0,0,2]=4 1066 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31087 [0,1,0,1,0,0|1,0,1]=4 1067 B12R2.132 CC1=CC2=C(C=C1)CCC2=O 82947 [0,1,0,1,0,0|0,0,0]=2 1068 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2O 72142 [0,1,0,1,0,0|0,0,2]=4 1069 B12R2.132 NC1=CC2=C(C=C1)CCC2=O 82950 [0,1,0,1,0,0|0,0,0]=2 1070 B12R2.132 NC1=CC2=C(C=C1)CNC2=O 87918 [0,1,0,1,0,0|1,0,0]=3 1071 B12R2.132 NC1=CC2=C(C=C1)COC2=O 82287 [0,1,0,1,0,0|1,0,0]=3 1072 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 54608 [0,1,0,1,0,0|0,0,0]=2 1073 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 34238 [0,1,0,1,0,0|0,0,0]=2 1074 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 61632 [0,1,0,1,0,0|0,0,0]=2 1075 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 27647 [0,1,0,1,0,0|0,0,0]=2 1076 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 O11597 [0,1,0,1,0,0|0,0,0]=2 1077 B12R2.132 O=C1NCC2=C1C=C(Br)C=C2 82322 [0,1,0,1,0,0|1,0,0]=3 1078 B12R2.132 O=C1NCC2=C1C=C(Cl)C=C2 87204 [0,1,0,1,0,0|1,0,0]=3 1079 B12R2.132 O=C1NNC2=C1C=C(Br)C=C2 83301 [0,1,0,1,0,0|2,0,0]=4 1080 B12R2.132 O=C1OCC2=C1C=C(Br)C=C2 24767 [0,1,0,1,0,0|1,0,0]=3 1081 B12R2.2 C1=CC=C(C2SCCS2)C=C1 65391 [0,1,0,1,0,0|0,1,1]=4 1082 B12R2.2 C1=CC=C(N2CCCC2)C=C1 D70827 [0,1,0,1,0,0|1,0,1]=4 1083 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 23433 [0,1,0,1,0,0|1,0,1]=4 1084 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59897 [0,1,0,1,0,0|1,0,1]=4 1085 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 AR1028 [0,1,0,1,0,0|1,0,1]=4 1086 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 65218 [0,1,0,1,0,0|1,0,1]=4 1087 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69527 [0,1,0,1,0,0|1,0,1]=4 1088 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69530 [0,1,0,1,0,0|1,0,1]=4 1089 B12R2.2 C1=CC=C([C@H]2NCCS2)C=C1 S12217 [0,1,0,1,0,0|0,1,1]=4 1090 B12R2.22 NC1CC(C2=CC=CC=C2)C1 75898 [0,1,0,1,0,0|1,0,1]=4 1091 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 75897 [0,1,0,1,0,0|0,0,0]=2 1092 B12R2.116 NC1(C2=CC=CC=C2)CCC1 28133 [0,1,0,1,0,0|1,0,1]=4 1093 B12R2.116 NC1(C2=CC=CC=C2)CCC1 69082 [0,1,0,1,0,0|1,0,1]=4 1094 B12R2.1081 BrC1=C2CCCCC2=CC=C1 N12384 [0,1,0,1,0,0|1,0,1]=4 1095 B12R2.1081 BrC1=C2CCCNC2=CC=C1 69219 [0,1,0,1,0,0|1,0,1]=4 1096 B12R2.1081 BrC1=C2CCCNC2=CC=C1 VT1267 [0,1,0,1,0,0|1,0,1]=4 1097 B12R2.1081 BrC1=C2CCNCC2=CC=C1 25481 [0,1,0,1,0,0|2,0,0]=4 1098 B12R2.1081 BrC1=C2CCNCC2=CC=C1 54560 [0,1,0,1,0,0|2,0,0]=4 1099 B12R2.1081 BrC1=C2CNCCC2=CC=C1 82435 [0,1,0,1,0,0|2,0,0]=4 1100 B12R2.1081 CC1=CC=CC2=C1CCCN2 25700 [0,1,0,1,0,0|1,0,1]=4 1101 B12R2.1081 CC1=CC=CC2=C1NCCC2 36744 [0,1,0,1,0,0|1,0,1]=4 1102 B12R2.1081 CC1=NCCC2=C1C=CC=C2 63594 [0,1,0,1,0,0|1,0,0]=3 1103 B12R2.1081 CN1CCCC2=C1C=CC=C2 F13268 [0,1,0,1,0,0|1,0,1]=4 1104 B12R2.1081 CN1CCNC2=C1C=CC=C2 25611 [0,1,0,1,0,0|2,0,0]=4 1105 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24493 [0,1,0,1,0,0|1,0,1]=4 1106 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 24577 [0,1,0,1,0,0|1,0,1]=4 1107 B12R2.1081 ClC1=C2CCCNC2=CC=C1 25795 [0,1,0,1,0,0|1,0,1]=4 1108 B12R2.1081 ClC1=C2CNCCC2=CC=C1 O11670 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.1081 FC1=C2CNCCC2=CC=C1 33398 [0,1,0,1,0,0|2,0,0]=4 1110 B12R2.1081 NC1=C2CCCCC2=CC=C1 50818 [0,1,0,1,0,0|1,0,1]=4 1111 B12R2.1081 NC1=CC=CC2=C1CCNC2 81637 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52172 [0,1,0,1,0,0|1,0,1]=4 1113 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 52173 [0,1,0,1,0,0|1,0,1]=4 1114 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F13060 [0,1,0,1,0,0|1,0,1]=4 1115 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 F16883 [0,1,0,1,0,0|1,0,1]=4 1116 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 20284 [0,1,0,1,0,0|0,0,2]=4 1117 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 24954 [0,1,0,1,0,0|0,0,2]=4 1118 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87774 [0,1,0,1,0,0|0,0,2]=4 1119 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Y10074 [0,1,0,1,0,0|0,0,2]=4 1120 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 AB4075 [0,1,0,1,0,0|0,0,2]=4 1121 B12R2.1081 O=C1C=COC2=C1C=CC=C2 H10070 [0,1,0,1,0,0|0,0,2]=4 1122 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 24956 [0,1,0,1,0,0|1,0,1]=4 1123 B12R2.1081 O=C1CCCC2=C1C=CC=C2 P16483 [0,1,0,1,0,0|0,0,0]=2 1124 B12R2.1081 O=C1CCCC2=C1C=CC=N2 66292 [0,1,0,1,0,0|1,0,0]=3 1125 B12R2.1081 O=C1CCCC2=C1C=NC=C2 F12462 [0,1,0,1,0,0|1,0,0]=3 1126 B12R2.1081 O=C1CCCC2=CC=CN=C12 58440 [0,1,0,1,0,0|1,0,0]=3 1127 B12R2.1081 O=C1CCNC2=C1C=CC=C2 23896 [0,1,0,1,0,0|0,0,0]=2 1128 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SC3441 [0,1,0,1,0,0|0,0,0]=2 1129 B12R2.1081 O=C1CCOC2=C1C=CC=C2 30320 [0,1,0,1,0,0|0,0,0]=2 1130 B12R2.1081 O=C1CCSC2=C1C=CC=C2 F31314 [0,1,0,1,0,0|0,0,0]=2 1131 B12R2.1081 O=C1COCC2=C1C=CC=C2 25671 [0,1,0,1,0,0|0,0,0]=2 1132 B12R2.1081 O=C1CSCC2=C1C=CC=C2 D73303 [0,1,0,1,0,0|0,0,0]=2 1133 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 AB1219 [0,1,0,1,0,0|0,0,2]=4 1134 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 37898 [0,1,0,1,0,0|1,0,1]=4 1135 B12R2.1081 O=C1NCCC2=C1C=CC=C2 25054 [0,1,0,1,0,0|0,0,0]=2 1136 B12R2.1081 O=C1NCCC2=CC=CN=C12 N10641 [0,1,0,1,0,0|1,0,0]=3 1137 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 20031 [0,1,0,1,0,0|1,0,1]=4 1138 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 F10403 [0,1,0,1,0,0|2,0,0]=4 1139 B12R2.1081 O=C1OCCC2=C1C=CC=C2 23770 [0,1,0,1,0,0|0,0,0]=2 1140 B12R2.1081 OC1=C2CCCCC2=CC=C1 N11905 [0,1,0,1,0,0|1,0,1]=4 1141 B12R2.1081 OC1=C2NCCCC2=CC=C1 23213 [0,1,0,1,0,0|1,0,1]=4 1142 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 73935 [0,1,0,1,0,0|0,0,2]=4 1143 B12R2.2028 C[C@H]1CC(=O)C2=C1C=CC=C2 H10914 [0,1,0,1,0,0|0,0,0]=2 1144 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 AC1334 [0,1,0,1,0,0|0,0,1]=3 1145 B12R2.2028 O=C1C[C@H](Br)C2=C1C=CC=C2 25105 [0,1,0,1,0,0|0,0,0]=2 1146 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 AC7915 [0,1,0,1,0,0|1,0,0]=3 1147 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 D71106 [0,1,0,1,0,0|1,0,0]=3 1148 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 AC7863 [0,1,0,1,0,0|1,0,1]=4 1149 B12R2.2075 O[C@H](C1=CC=CC=C1)C2CC2 F52087 [0,1,0,1,0,0|1,0,1]=4 1150 B12R2.32 CNC1CC2=C(C=CC=C2)C1 A11850 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 52682 [0,1,0,1,0,0|0,0,2]=4 1152 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 53682 [0,1,0,1,0,0|0,0,2]=4 1153 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 82463 [0,1,0,1,0,0|0,0,2]=4 1154 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 82999 [0,1,0,1,0,0|1,0,1]=4 1155 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 73938 [0,1,0,1,0,0|1,0,1]=4 1156 B12R2.32 OCC1CC2=C(C=CC=C2)C1 83148 [0,1,0,1,0,0|0,0,2]=4 1157 B12R2.196 CC1=CC=CC2=C1CCC2=O 82948 [0,1,0,1,0,0|0,0,0]=2 1158 B12R2.196 NC1=CC=CC2=C1CCC2=O I11691 [0,1,0,1,0,0|0,0,0]=2 1159 B12R2.196 NC1=CC=CC2=C1CNC2=O 71711 [0,1,0,1,0,0|1,0,0]=3 1160 B12R2.196 NC1=CC=CC2=C1COC2=O 25927 [0,1,0,1,0,0|1,0,0]=3 1161 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20087 [0,1,0,1,0,0|1,0,1]=4 1162 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 56880 [0,1,0,1,0,0|0,0,0]=2 1163 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 82956 [0,1,0,1,0,0|0,0,0]=2 1164 B12R2.196 O=C1CCC2=C(F)C=CC=C12 82949 [0,1,0,1,0,0|0,0,0]=2 1165 B12R2.196 O=C1CCC2=C1C=CC=C2O 62442 [0,1,0,1,0,0|0,0,0]=2 1166 B12R2.196 O=C1COC2=C(Br)C=CC=C12 26556 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 51376 [0,1,0,1,0,0|1,0,0]=3 1168 B12R2.196 O=C1OCC2=C(Br)C=CC=C12 51375 [0,1,0,1,0,0|1,0,0]=3 1169 B12R2.196 O=C1OCC2=C(Cl)C=CC=C12 30486 [0,1,0,1,0,0|1,0,0]=3 1170 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 F30208 [0,1,0,1,0,0|0,0,2]=4 1171 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 Y10476 [0,1,0,1,0,0|0,0,0]=2 1172 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 56812 [0,1,0,1,0,0|0,0,0]=2 1173 B12R2.203 O=C1CCC2=CC=CC(F)=C12 61630 [0,1,0,1,0,0|0,0,0]=2 1174 B12R2.203 O=C1CCC2=CC=CC(O)=C12 82957 [0,1,0,1,0,0|0,0,0]=2 1175 B12R2.203 O=C1NCC2=CC=CC(Br)=C12 72224 [0,1,0,1,0,0|1,0,0]=3 1176 B12R2.203 O=C1NNC2=CC=CC(Br)=C12 32320 [0,1,0,1,0,0|2,0,0]=4 1177 B12R2.203 O=C1NNC2=CC=CC(F)=C12 F18027 [0,1,0,1,0,0|2,0,0]=4 1178 B12R2.203 O=C1OCC2=CC=CC(Cl)=C12 N12505 [0,1,0,1,0,0|1,0,0]=3 1179 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 82920 [0,1,0,1,0,0|0,0,0]=2 1180 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 36742 [0,1,0,1,0,0|0,0,0]=2 1181 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 27151 [0,1,0,1,0,0|1,0,0]=3 1182 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 Y11136 [0,1,0,1,0,0|2,0,0]=4 1183 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 80055 [0,1,0,1,0,0|1,0,0]=3 1184 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 F12583 [0,1,0,1,0,0|1,0,1]=4 1185 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 20447 [0,1,0,1,0,0|0,0,0]=2 1186 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 F11243 [0,1,0,1,0,0|0,0,0]=2 1187 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 28490 [0,1,0,1,0,0|0,0,0]=2 1188 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 62264 [0,1,0,1,0,0|0,0,0]=2 1189 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 23871 [0,1,0,1,0,0|1,0,0]=3 1190 B12R2.612 O=C1COC2=C1C=CC(F)=C2 29682 [0,1,0,1,0,0|1,0,0]=3 1191 B12R2.612 O=C1COC2=C1C=CC(O)=C2 33435 [0,1,0,1,0,0|1,0,0]=3 1192 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 52543 [0,1,0,1,0,0|1,0,0]=3 1193 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 84410 [0,1,0,1,0,0|1,0,0]=3 1194 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 82247 [0,1,0,1,0,0|1,0,0]=3 1195 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 25736 [0,1,0,1,0,0|2,0,0]=4 1196 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 11102 [0,1,0,1,0,0|1,0,0]=3 1197 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 50627 [0,1,0,1,0,0|1,0,0]=3 1198 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 50630 [0,1,0,1,0,0|1,0,0]=3 1199 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 F31394 [0,1,0,1,0,0|1,0,0]=3 1200 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 71622 [0,1,0,1,0,0|0,0,2]=4 1201 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 N12515 [0,1,0,1,0,0|0,0,2]=4 1202 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 69967 [0,1,0,1,0,0|0,0,2]=4 1203 B12R2.1 O=CC1=CNC2=C1C=CC=C2 25124 [0,1,0,1,0,0|0,0,2]=4 1204 B12R2.1 O=CC1=CSC2=C1C=CC=C2 33530 [0,1,0,1,0,0|0,0,2]=4 1205 B12R2.1 O=CC1=NNC2=C1C=CC=C2 88861 [0,1,0,1,0,0|1,0,1]=4 1206 B12R2.1 O=CN1CCC2=C1C=CC=C2 Y13562 [0,1,0,1,0,0|0,0,0]=2 1207 B12R2.1 O=CN1N=NC2=C1C=CC=C2 AB10129 [0,1,0,1,0,0|2,0,0]=4 1208 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 71087 [0,1,0,1,0,0|0,0,1]=3 1209 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 F53321 [0,1,0,1,0,0|0,0,2]=4 1210 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 38693 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.18 CN1SC2=C(C=CC=C2)C1=O A51204 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O 75581 [0,1,0,1,0,0|0,0,0]=2 1213 B12R2.18 C[C@H]1CC2=C(C=CC=C2)N1N D97185 [0,1,0,1,0,0|2,0,0]=4 1214 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20134 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20142 [0,1,0,1,0,0|1,0,1]=4 1216 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O P15222 [0,1,0,1,0,0|1,0,1]=4 1217 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 29193 [0,1,0,1,0,0|0,0,1]=3 1218 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O D70304 [0,1,0,1,0,0|1,0,1]=4 1219 B12R2.18 OC1C2=C(C=CC=C2)CC1Br A10217 [0,1,0,1,0,0|0,0,2]=4 1220 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br 31137 [0,1,0,1,0,0|0,0,2]=4 1221 B12R2.92 ClC1(Cl)C[C@@H]1C2=CC=CC=C2 AC1049 [0,1,0,1,0,0|1,0,1]=4 1222 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 79571 [0,1,0,1,0,0|2,0,0]=4 1223 B12R2.3190 O=C(O)[C@@H]1CC2=C1C=CC=C2 67881 [0,1,0,1,0,0|0,0,0]=2 1224 B8R1.8 BrCCN1C=CC=C1 11545 [1,0,0,0,1,0|2,0,0]=4 1225 B8R1.8 CCCC1=CC=CS1 F17557 [1,0,0,0,1,0|1,0,1]=4 1226 B8R1.8 CCCC1=CSC=C1 T71823 [1,0,0,0,1,0|1,0,1]=4 1227 B8R1.8 ClCCN1C=CC=C1 11544 [1,0,0,0,1,0|2,0,0]=4 1228 B8R1.8 NCCC1=CC=CO1 51136 [1,0,0,0,1,0|2,0,0]=4 1229 B8R1.8 NCCC1=CC=CS1 28447 [1,0,0,0,1,0|2,0,0]=4 1230 B8R1.8 NCCC1=CSC=C1 51624 [1,0,0,0,1,0|2,0,0]=4 1231 B8R1.8 NCCN1C=CC=C1 C74522 [1,0,0,0,1,0|2,0,0]=4 1232 B8R1.8 OCCC1=CC=CS1 P10012 [1,0,0,0,1,0|1,0,1]=4 1233 B8R1.8 OCCC1=CSC=C1 62948 [1,0,0,0,1,0|1,0,1]=4