0 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.10 CC#CC1=CC(Br)=CN=C1 F13546 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [0,0,0,0,0,0|2,1,0]=3 7 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [0,0,0,0,0,0|3,1,0]=4 10 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.10 CNCC1=CC=CC(Br)=N1 C76128 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.10 COCC1=CC(Br)=CN=C1 W19232 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.10 COCC1=CC(Cl)=NC=C1 CS1797 [0,0,0,0,0,0|3,1,0]=4 16 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.10 CSCC1=CC(N)=NC=C1 79313 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.10 N#CCC1=CC(Br)=CN=C1 69670 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.10 N#CCC1=CC(Br)=NC=C1 81694 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.10 N#CCC1=CC(Cl)=NC=C1 81695 [0,0,0,0,0,0|1,1,2]=4 23 B10R1.10 N#CCC1=CC(F)=CN=C1 39148 [0,0,0,0,0,0|1,1,2]=4 24 B10R1.10 N#CCC1=CC=CC(F)=N1 W13471 [0,0,0,0,0,0|1,1,2]=4 25 B10R1.10 N#CCC1=NC=CC(Br)=C1 O10478 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.10 N#CCC1=NC=CC(F)=C1 C71012 [0,0,0,0,0,0|1,1,2]=4 27 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [0,0,0,0,0,0|1,1,0]=2 30 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [0,0,0,0,0,0|1,1,1]=3 32 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.2 C#CC1=CC(Br)=CN=C1 50294 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.2 C#CC1=CC(Br)=NC=C1 D82593 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.2 C#CC1=CC=CC(Br)=N1 D82337 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [1,0,0,0,0,0|1,0,2]=4 39 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [1,0,0,0,0,0|1,0,2]=4 40 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [1,0,0,0,0,0|1,0,2]=4 43 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.2 CC1=CC(CN)=NC=C1 72801 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.2 CC1=CC(CN)=NC=C1 78899 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.2 CC1=CC=NC(CN)=N1 72797 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.2 CC1=CN=CC(CN)=C1 72799 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 CC1=NC=CC(CN)=C1 72809 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [1,0,0,0,0,0|2,1,0]=4 57 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,0,0,0,0,0|2,1,0]=4 59 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 CNC1=CC(Br)=NC=C1 CS1908 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.2 CNC1=CC(N)=CC=C1 36494 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.2 COC1=CC(=O)NC=C1 25837 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.2 COC1=NC=CC(Br)=N1 25350 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [1,0,0,0,0,0|1,1,0]=3 72 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,0,0,0,0,0|2,1,0]=4 74 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [1,0,0,0,0,0|2,1,0]=4 76 B9R1.2 ClC1=NC=CC(CBr)=C1 A10561 [1,0,0,0,0,0|2,1,0]=4 77 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [1,0,0,0,0,0|2,1,0]=4 78 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [1,0,0,0,0,0|2,1,0]=4 79 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [1,0,0,0,0,0|2,1,0]=4 80 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [1,0,0,0,0,0|2,1,0]=4 81 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.2 NC1=CC=CC(CF)=C1 32172 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.2 NC1=NC=CC(CBr)=C1 W11110 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [1,0,0,0,0,0|1,1,0]=3 90 B9R1.2 NCC1=CC(Cl)=NC=C1 71552 [1,0,0,0,0,0|1,1,0]=3 91 B9R1.2 NCC1=CC(F)=NC=C1 73765 [1,0,0,0,0,0|1,1,0]=3 92 B9R1.2 NCC1=CC=CC(=O)N1 78897 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [1,0,0,0,0,0|1,1,0]=3 95 B9R1.2 NCC1=CC=CC(F)=N1 25846 [1,0,0,0,0,0|1,1,0]=3 96 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,0,0,0,0,0|2,1,0]=4 99 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [1,0,0,0,0,0|1,1,0]=3 102 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [1,0,0,0,0,0|1,1,0]=3 103 B9R1.2 NNC1=CC(O)=NC=C1 W16830 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.2 O=C1C=C(CO)C=CN1 37365 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,0,0,0,0,0|2,1,0]=4 107 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,0,0,0,0,0|2,1,0]=4 109 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 111 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.8 NNCC1=CN=CN=C1 37093 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.8 NNCC1=NC=CN=C1 37235 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 OCCC1=CN=CN=C1 27368 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.13 CC1=C(Br)C=CC=C1CC#N CL9699 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.13 CC1=C(F)C=CC=C1CC#N 22476 [0,1,0,0,0,0|0,1,2]=4 132 B11R1.13 CC1=C(I)C=CC=C1CC#N CL9701 [0,1,0,0,0,0|0,1,2]=4 133 B11R1.13 CCNC1=CC=CC(Cl)=C1Cl AB1375 [0,1,0,0,0,0|2,1,0]=4 134 B11R1.13 CCOC1=C(N)C(N)=CC=C1 79683 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.13 CCOC1=CC=CC(F)=C1N D84510 [0,1,0,0,0,0|2,1,0]=4 136 B11R1.13 CNCC1=CC=CC(Cl)=C1Cl 23580 [0,1,0,0,0,0|2,1,0]=4 137 B11R1.13 CNCC1=CC=CC(Cl)=C1F 36790 [0,1,0,0,0,0|2,1,0]=4 138 B11R1.13 CNCC1=CC=CC(Cl)=C1F 76700 [0,1,0,0,0,0|2,1,0]=4 139 B11R1.13 CNCC1=CC=CC(F)=C1F AC1201 [0,1,0,0,0,0|2,1,0]=4 140 B11R1.13 COCC1=CC=CC(Br)=C1F 79640 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.13 NCCC1=CC=CC(F)=C1F Y13621 [0,1,0,0,0,0|0,1,0]=2 142 B11R1.13 OCCC1=CC=CC(F)=C1F A11216 [0,1,0,0,0,0|1,1,0]=3 143 B11R1.23 C#C[C@@H](O)C1=CC=CC(F)=C1 79796 [0,1,0,0,0,0|1,1,1]=4 144 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [0,1,0,0,0,0|1,0,0]=2 163 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [0,1,0,0,0,0|1,1,0]=3 167 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [0,1,0,0,0,0|1,1,0]=3 168 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [0,1,0,0,0,0|1,1,0]=3 169 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [0,1,0,0,0,0|1,1,0]=3 170 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [0,1,0,0,0,0|1,1,0]=3 171 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [0,1,0,0,0,0|1,1,0]=3 172 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,1,0,0,0,0|2,1,0]=4 177 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,1,0,0,0,0|2,1,0]=4 178 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,1,0,0,0,0|2,1,0]=4 179 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,1,0,0,0,0|2,1,0]=4 180 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,1,0,0,0,0|2,1,0]=4 181 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,1,0,0,0,0|2,1,0]=4 182 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13444 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [0,1,0,0,0,0|0,1,0]=2 184 B11R1.23 N[C@@H](CO)C1=CC(Br)=CN=C1 Y12868 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12116 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12865 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [0,1,0,0,0,0|1,1,0]=3 192 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [0,1,0,0,0,0|1,1,0]=3 193 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [0,1,0,0,0,0|1,1,0]=3 194 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [0,1,0,0,0,0|1,1,0]=3 195 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [0,1,0,0,0,0|1,1,0]=3 196 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [0,1,0,0,0,0|1,1,0]=3 197 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [0,1,0,0,0,0|1,1,0]=3 198 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [0,1,0,0,0,0|1,1,0]=3 199 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,0,0,0,0|1,1,1]=4 201 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [0,1,0,0,0,0|1,1,0]=3 202 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [0,1,0,0,0,0|1,1,0]=3 203 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,0,0,0,0|1,1,0]=3 206 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [0,1,0,0,0,0|1,1,0]=3 210 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,1,0,0,0,0|0,1,0]=2 211 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 BL006488 [0,1,0,0,0,0|1,1,1]=4 213 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,1,0,0,0,0|1,1,0]=3 214 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,1,0,0,0,0|1,1,0]=3 215 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [0,1,0,0,0,0|2,1,0]=4 216 B11R1.34 CCCC1=CC(F)=CC(F)=C1 T70464 [0,1,0,0,0,0|1,1,0]=3 217 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 77974 [0,1,0,0,0,0|2,1,0]=4 218 B11R1.34 CNCC1=CC(Cl)=CC(Cl)=C1 N16813 [0,1,0,0,0,0|2,1,0]=4 219 B11R1.34 CNCC1=CC(F)=CC(F)=C1 36789 [0,1,0,0,0,0|2,1,0]=4 220 B11R1.34 FC1=CC(F)=CC(CCBr)=C1 C78634 [0,1,0,0,0,0|1,1,0]=3 221 B11R1.34 N#CCC1=CC(Br)=CC(Br)=C1 60096 [0,1,0,0,0,0|0,0,2]=3 222 B11R1.34 N#CCC1=CC(Br)=CC(Cl)=C1 35726 [0,1,0,0,0,0|0,0,2]=3 223 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 CK1128 [0,1,0,0,0,0|1,1,0]=3 224 B11R1.34 OCCC1=CC(F)=CC(F)=C1 35629 [0,1,0,0,0,0|1,1,0]=3 225 B11R1.34 SCCC1=CC(Cl)=CC(Cl)=C1 F50628 [0,1,0,0,0,0|1,1,0]=3 226 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 72240 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [0,1,0,0,0,0|0,0,0]=1 231 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,0,0,0,0|1,1,0]=3 233 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.157 FC(F)OC1=CC(Br)=NC=C1 79328 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.157 FC(F)OC1=CC=CC(Br)=N1 O10687 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.157 FC(F)OC1=NC=CC(Br)=C1 P11741 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.157 FC1=CC(OC(F)F)=CC=C1 79106 [0,1,0,0,0,0|2,1,0]=4 238 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,1,0,0,0,0|1,0,1]=3 239 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,0,0|0,1,1]=3 241 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.157 OC1=CC=CC(OC(F)F)=C1 CL8486 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.182 C=CCC1=C(O)C=CC(C)=C1 D96076 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.182 CNCC1=C(O)C=CC(Cl)=C1 31930 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.182 CNCC1=C(O)C=CC(F)=C1 32252 [0,1,0,0,0,0|2,1,0]=4 247 B11R1.182 COCC1=C(F)C=CC(Br)=C1 N10199 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.182 COCC1=C(N)C=CC(N)=C1 C74735 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.182 OCCC1=C(F)C=CC(F)=C1 A50721 [0,1,0,0,0,0|1,1,0]=3 250 B11R1.182 OCCC1=C(O)C=CC(Br)=C1 W15209 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.189 CNCC1=CC=CC(C#N)=C1 C77059 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.189 COC1=CC=CC(CC=O)=C1 W16819 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.189 COC1=CC=CC(CSC)=C1 W19464 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.189 COC1=CN=CC(CCN)=C1 W10141 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.189 COC1=NC(CCN)=CC=C1 73037 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.189 COC1=NC=CC(CCN)=C1 W10138 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.189 COCC1=CC(CN)=CC=C1 O10066 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.189 COCC1=CC=CC(C=O)=C1 Y14420 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.189 N#CC1=CC(CNN)=CC=C1 D95131 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.189 N#CC1=CC=CC(CCO)=C1 72018 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.192 CC1=C(Br)C=CC(CC#N)=C1 AB8407 [0,1,0,0,0,0|1,0,2]=4 262 B11R1.192 CC1=C(Br)C=CC(CCN)=C1 AB8409 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 75825 [0,1,0,0,0,0|0,1,2]=4 264 B11R1.192 CC1=C(F)C=CC(CCO)=N1 P19192 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.192 CCCC1=CC(F)=C(Br)C=C1 A12131 [0,1,0,0,0,0|1,1,0]=3 266 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 AB1379 [0,1,0,0,0,0|2,1,0]=4 267 B11R1.192 CCOC1=CC(F)=C(N)C=C1 A12546 [0,1,0,0,0,0|2,1,0]=4 268 B11R1.192 CNCC1=CC(F)=C(F)C=C1 36786 [0,1,0,0,0,0|2,1,0]=4 269 B11R1.192 CNCC1=CC(O)=C(O)C=C1 31716 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.192 COCC1=CC(Br)=C(F)C=C1 N10448 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.192 COCC1=CC(N)=C(Br)C=C1 CL9396 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.192 N#CCC1=CC(O)=C(O)C=C1 D82364 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.192 NCCC1=CC(F)=C(Cl)C=C1 D79909 [0,1,0,0,0,0|0,1,0]=2 274 B11R1.192 OCCC1=CC(F)=C(F)C=C1 CL9076 [0,1,0,0,0,0|1,1,0]=3 275 B11R1.192 OCCC1=CC(O)=C(O)C=C1 68063 [0,1,0,0,0,0|2,0,0]=3 276 B11R2.35 BrC1=CC(C2CC2)=NC=C1 84229 [0,0,0,1,0,0|2,0,0]=3 277 B11R2.35 BrC1=CN=CC(C2CC2)=C1 F15531 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.35 BrC1=NC(C2CC2)=CN=C1 55122 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.35 BrC1=NC=CC(C2CC2)=C1 AB21162 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.35 ClC1=NC=CC(C2CC2)=C1 P11357 [0,0,0,1,0,0|2,1,0]=4 281 B11R2.35 NC1=CC(C2CC2)=CC=C1 C75291 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.35 NC1=NC=CC(C2CC2)=C1 80941 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [0,0,0,1,0,0|1,0,0]=2 284 B11R2.36 BrC1=CC2=C(C=C1)CCN2 73495 [0,0,0,1,0,0|2,0,0]=3 285 B11R2.36 BrC1=CC2=C(C=C1)COC2 71931 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 25694 [0,0,0,1,0,0|2,0,1]=4 287 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [0,0,0,1,0,0|2,0,0]=3 288 B11R2.36 BrC1=CN=C2CNCC2=C1 38863 [0,0,0,1,0,0|3,0,0]=4 289 B11R2.36 BrC1=CN=C2CNCC2=C1 68941 [0,0,0,1,0,0|3,0,0]=4 290 B11R2.36 BrC1=NC2=C(C=C1)NC=N2 82840 [0,0,0,1,0,0|2,0,1]=4 291 B11R2.36 BrC1=NC2=C(C=C1)NCC2 C72057 [0,0,0,1,0,0|1,0,0]=2 292 B11R2.36 BrC1=NC=C2CNCC2=C1 P17924 [0,0,0,1,0,0|3,0,0]=4 293 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [0,0,0,1,0,0|2,0,0]=3 294 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [0,0,0,1,0,0|1,1,0]=3 295 B11R2.36 ClC1=CC2=C(C=C1)CCN2 F11859 [0,0,0,1,0,0|2,1,0]=4 296 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AB6849 [0,0,0,1,0,0|2,1,0]=4 297 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [0,0,0,1,0,0|1,1,0]=3 298 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [0,0,0,1,0,0|1,1,1]=4 299 B11R2.36 ClC1=CN=C2NCCC2=C1 C71466 [0,0,0,1,0,0|1,1,0]=3 300 B11R2.36 ClC1=NC=C2NCCC2=C1 F18600 [0,0,0,1,0,0|1,1,0]=3 301 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [0,0,0,1,0,0|2,1,0]=4 302 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [0,0,0,1,0,0|2,1,0]=4 303 B11R2.36 FC1=CC2=C(C=C1)NN=N2 O11430 [0,0,0,1,0,0|2,1,0]=4 304 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [0,0,0,1,0,0|2,1,0]=4 305 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [0,0,0,1,0,0|1,1,0]=3 306 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [0,0,0,1,0,0|3,0,0]=4 307 B11R2.36 NC1=CC2=C(C=C1)CNC2 AB9521 [0,0,0,1,0,0|3,0,0]=4 308 B11R2.36 NC1=CC2=C(C=C1)OCO2 D97371 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.36 O=C1C=CC2=C(CCC2)N1 83506 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.36 OC1=CC2=C(C=C1)CCN2 C75271 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [0,0,0,1,0,0|3,0,0]=4 312 B11R2.36 OC1=CC2=C(C=C1)CNC2 20927 [0,0,0,1,0,0|3,0,0]=4 313 B11R2.36 OC1=CC2=C(C=C1)CNC2 52281 [0,0,0,1,0,0|3,0,0]=4 314 B11R2.36 OC1=CC2=C(C=C1)CNC2 52301 [0,0,0,1,0,0|3,0,0]=4 315 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [0,0,0,1,0,0|2,0,0]=3 316 B11R2.106 BrC1=C2C=NOC2=CC=C1 27210 [0,0,0,1,0,0|3,0,0]=4 317 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [0,0,0,1,0,0|1,0,0]=2 318 B11R2.106 BrC1=C2NC=CC2=NC=C1 73387 [0,0,0,1,0,0|1,0,2]=4 319 B11R2.106 BrC1=C2NC=NC2=NC=C1 80794 [0,0,0,1,0,0|2,0,1]=4 320 B11R2.106 BrC1=C2NN=CC2=CN=C1 38500 [0,0,0,1,0,0|2,0,1]=4 321 B11R2.106 BrC1=C2OCOC2=CC=C1 67234 [0,0,0,1,0,0|2,0,0]=3 322 B11R2.106 BrC1=C2ON=CC2=CC=C1 38088 [0,0,0,1,0,0|2,0,1]=4 323 B11R2.106 BrC1=C2SN=NC2=CC=C1 F30547 [0,0,0,1,0,0|3,0,0]=4 324 B11R2.106 BrC1=NC=CC2=C1NN=C2 24367 [0,0,0,1,0,0|2,0,1]=4 325 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [0,0,0,1,0,0|2,0,0]=3 326 B11R2.106 ClC1=C2CCCC2=NC=C1 85955 [0,0,0,1,0,0|2,1,0]=4 327 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [0,0,0,1,0,0|2,1,0]=4 328 B11R2.106 ClC1=C2CNCC2=CC=C1 SC1314 [0,0,0,1,0,0|2,1,0]=4 329 B11R2.106 ClC1=C2NN=NC2=CC=C1 C76113 [0,0,0,1,0,0|2,1,0]=4 330 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [0,0,0,1,0,0|1,1,0]=3 331 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [0,0,0,1,0,0|1,1,0]=3 332 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [0,0,0,1,0,0|0,1,2]=4 333 B11R2.106 NC1=C2CCCC2=NC=C1 27386 [0,0,0,1,0,0|3,0,0]=4 334 B11R2.106 NC1=C2NCCC2=CC=C1 AC5784 [0,0,0,1,0,0|1,0,0]=2 335 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [0,0,0,1,0,0|2,0,0]=3 336 B11R2.106 NC1=C2OCOC2=CC=C1 25897 [0,0,0,1,0,0|3,0,0]=4 337 B11R2.106 NC1=CC=CC2=C1CCN2 O11831 [0,0,0,1,0,0|3,0,0]=4 338 B11R2.106 NC1=CC=CC2=C1CNC2 62888 [0,0,0,1,0,0|3,0,0]=4 339 B11R2.106 NC1=CC=CC2=C1CNC2 C90573 [0,0,0,1,0,0|3,0,0]=4 340 B11R2.106 NC1=CC=CC2=C1NC=N2 26687 [0,0,0,1,0,0|2,0,1]=4 341 B11R2.106 OC1=C2CCNC2=CC=C1 76585 [0,0,0,1,0,0|3,0,0]=4 342 B11R2.106 OC1=C2NCCC2=CC=C1 D82764 [0,0,0,1,0,0|1,0,0]=2 343 B11R2.106 OC1=C2OCOC2=CC=C1 Y13605 [0,0,0,1,0,0|3,0,0]=4 344 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,0,0,0,1,0|2,0,0]=3 345 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,0,0,0,1,0|3,0,0]=4 346 B9R1.7 CN1C=C(CCN)C=N1 AC1366 [0,0,0,0,1,0|3,0,0]=4 347 B9R1.7 CN1C=NC(CCN)=C1 P10213 [0,0,0,0,1,0|3,0,0]=4 348 B9R1.7 N#CCC1=CC=C(Br)S1 C10185 [0,0,0,0,1,0|1,0,2]=4 349 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [0,0,0,0,1,0|1,0,0]=2 350 B9R1.7 OCCN1C=C(Br)C=N1 24184 [0,0,0,0,1,0|3,0,0]=4 351 B9R1.33 CC1=C(CCN)SC=N1 W16954 [0,0,0,0,1,0|3,0,0]=4 352 B9R1.33 CN1C=CC=C1CCN 70855 [0,0,0,0,1,0|2,0,0]=3 353 B9R1.33 CN1C=CC=C1CCO F13299 [0,0,0,0,1,0|3,0,0]=4 354 B9R1.33 CN1C=NC=C1CCN 70377 [0,0,0,0,1,0|3,0,0]=4 355 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|0,0,0]=2 357 B8R1.2 NCC1=CC=CN=N1 36976 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 NCC1=CC=CN=N1 AT13034 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 NCC1=CC=CN=N1 P15536 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|1,0,0]=3 361 B8R1.2 NCC1=CN=CN=C1 26963 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 NCC1=CN=NC=C1 27223 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 NCC1=CN=NC=C1 36975 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.2 NCC1=NC=CN=C1 67569 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.2 NNC1=CC=CN=C1 S12141 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 370 B8R1.4 CC1=CC(=S)NC=C1 I11274 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.4 CC1=CC=CC(I)=N1 S10876 [2,0,0,0,0,0|1,1,0]=4 372 B8R1.4 CC1=NC=CC(I)=C1 25628 [2,0,0,0,0,0|1,1,0]=4 373 B8R1.4 NC1=CC(N)=NC=C1 25421 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.4 NC1=CC(O)=CN=C1 24928 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.4 NC1=CC(O)=CN=C1 26279 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.4 NC1=CC=CC(I)=N1 76368 [2,0,0,0,0,0|1,1,0]=4 377 B8R1.4 NC1=CN=CC(N)=C1 26714 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.4 SC1=CC(Br)=CN=C1 AT25650 [2,0,0,0,0,0|2,0,0]=4 379 B10R1.2 BrCC1=CC=CC(I)=C1Br CL8690 [1,1,0,0,0,0|1,1,0]=4 380 B10R1.2 CC1=C(Br)C=CC=C1CBr 54940 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.2 CC1=C(Br)C=CC=C1CN 98269 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.2 CC1=C(Br)C=NC=C1CO W10840 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.2 CC1=C(I)C=CC=C1CBr CL9688 [1,1,0,0,0,0|1,1,0]=4 384 B10R1.2 CC1=C(I)C=CC=C1CO CL9687 [1,1,0,0,0,0|1,1,0]=4 385 B10R1.2 CC1=CC=CC(CN)=C1F CL9718 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.2 CC1=CC=CC(CN)=C1O Y10488 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.2 CC1=CC=CC(CO)=C1Br 74396 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.2 CC1=CC=CC(CO)=C1O F20046 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.2 CC1=CC=CC(NN)=C1C A11966 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.2 CCC1=CC=CC(O)=C1O C77203 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.2 CCC1=CC=NC(N)=C1Br F50948 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.2 CN1C=CC=C(CN)C1=O P19942 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.2 CNC1=C(N)C(Br)=NC=C1 79198 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.2 CNC1=CC=CC(Br)=C1N 79197 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.2 COC1=C(C)C(Br)=NC=C1 D83215 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.2 COC1=C(Cl)C(N)=CC=C1 C12073 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.2 COC1=C(F)C(Br)=NC=C1 H11794 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.2 COC1=C(I)C(N)=CC=C1 34421 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.2 COC1=C(N)C(N)=CC=C1 35991 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.2 COC1=C(N)C(N)=CC=C1 Y10418 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.2 COC1=C(O)C(N)=CC=C1 O10656 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.2 COC1=CC=CC(Br)=C1Br CL8946 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.2 COC1=CC=CC(Cl)=C1Br F20980 [1,1,0,0,0,0|1,1,0]=4 404 B10R1.2 COC1=CC=CC(Cl)=C1O O10746 [1,1,0,0,0,0|1,1,0]=4 405 B10R1.2 COC1=CC=CC(F)=C1I 34512 [1,1,0,0,0,0|1,1,0]=4 406 B10R1.2 COC1=CC=CC(I)=C1N S10846 [1,1,0,0,0,0|1,1,0]=4 407 B10R1.2 COC1=CC=CC(I)=C1O 84030 [1,1,0,0,0,0|1,1,0]=4 408 B10R1.2 COC1=CN=CC(Br)=C1C CS1899 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.2 COC1=NC=CC(Br)=C1C C71404 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.2 CSC1=CC=CC(Cl)=C1C F14681 [1,1,0,0,0,0|1,1,0]=4 411 B10R1.2 NC1=C(Br)C=CC=C1C=O 36406 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.2 NC1=C(Br)C=NC=C1CO C73470 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.2 NC1=C(F)C=CC=C1CO W11419 [1,1,0,0,0,0|1,1,0]=4 414 B10R1.2 NCC1=CC=CC(Br)=C1F N13145 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.2 NCC1=CC=CC(Br)=C1F O10075 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.2 NCC1=CC=CC(F)=C1Br C71791 [1,1,0,0,0,0|0,1,0]=3 417 B10R1.2 NCC1=CC=CC(I)=C1Br C72076 [1,1,0,0,0,0|0,1,0]=3 418 B10R1.2 NCC1=CC=CC(O)=C1O S10740 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.2 OCC1=CC=CC(F)=C1Br 35519 [1,1,0,0,0,0|1,1,0]=4 420 B10R1.2 OCC1=CC=CC(F)=C1Cl CL8694 [1,1,0,0,0,0|1,1,0]=4 421 B10R1.2 OCC1=CC=CC(F)=C1I 79245 [1,1,0,0,0,0|1,1,0]=4 422 B10R1.2 OCC1=CC=CC(I)=C1Br CL8691 [1,1,0,0,0,0|1,1,0]=4 423 B10R1.8 CC1=CC(Br)=CC(CN)=C1 92716 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.8 CC1=CC(Br)=CC(CO)=C1 52074 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.8 CC1=CC(Br)=CC(CO)=N1 C75215 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.8 CC1=CC(CN)=NC(C)=C1 D79197 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.8 CC1=CC(CO)=CC(N)=C1 35511 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.8 CC1=CC(F)=CC(CN)=C1 D81546 [1,1,0,0,0,0|0,1,0]=3 429 B10R1.8 CCC1=CC(Br)=CC(N)=C1 O10968 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.8 CCC1=CC(C)=CC(O)=C1 D84187 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.8 CNC1=CC(F)=CC(F)=C1 W16587 [1,1,0,0,0,0|1,1,0]=4 432 B10R1.8 COC1=CC(Br)=CC(Cl)=N1 O11171 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.8 COC1=CC(Br)=NC(N)=C1 O11551 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.8 COC1=CC(N)=CC(Br)=N1 O10695 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.8 COC1=NC(C)=CC(Br)=C1 C71306 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.8 COC1=NC(N)=CC(Br)=C1 D83261 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.8 N#CC1=CC(Br)=CC(O)=C1 91757 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.8 N#CC1=CC(I)=CC(Br)=C1 C15499 [1,1,0,0,0,0|0,0,2]=4 439 B10R1.8 NC1=CC(CO)=CC(I)=C1 68577 [1,1,0,0,0,0|1,1,0]=4 440 B10R1.8 NCC1=CC(Cl)=CC(Cl)=N1 Y13359 [1,1,0,0,0,0|1,1,0]=4 441 B10R1.8 NOC1=CC(Cl)=CC(Cl)=C1 C77396 [1,1,0,0,0,0|1,1,0]=4 442 B10R1.8 O=CC1=CC(I)=CC(Br)=C1 CL9323 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.8 OCC1=CC(Br)=CC(O)=C1 C14009 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.8 OCC1=CC(Br)=NC(Br)=C1 P10792 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.8 OCC1=CC(I)=CC(I)=C1 C75498 [1,1,0,0,0,0|1,1,0]=4 446 B10R1.30 C#CC1=C(F)C=CC(Br)=C1 D95606 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.30 CC1=C(CCl)C=C(Cl)C=C1 AT13353 [1,1,0,0,0,0|1,1,0]=4 448 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [1,1,0,0,0,0|1,1,0]=4 449 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [1,1,0,0,0,0|1,1,0]=4 450 B10R1.30 CC1=C(NN)C=C(Br)C=C1 O10123 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.30 CC1=C(NN)C=C(Cl)C=C1 C75556 [1,1,0,0,0,0|1,1,0]=4 452 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.30 CC1=CC(CN)=C(F)C=C1 W18911 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.30 CC1=CC(CO)=C(Br)C=C1 78891 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.30 CC1=CC(NN)=C(Cl)C=C1 C77156 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [1,1,0,0,0,0|0,1,0]=3 459 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.30 CCN1C=C(Br)C=CC1=O AC2035 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.30 CNC1=C(C)C=CC(Cl)=C1 W16029 [1,1,0,0,0,0|1,1,0]=4 462 B10R1.30 CNC1=C(C)C=CC(O)=C1 C75943 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.30 CNC1=C(N)C=CC(C)=C1 N12938 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.30 CNC1=CC(Br)=CN=C1N N10250 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.30 COC1=C(Cl)C=CC(Br)=N1 D83067 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.30 COC1=C(I)C=CC(Br)=N1 W18510 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.30 COC1=C(I)C=CC(C)=C1 Y14673 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.30 COC1=C(I)C=CC(N)=C1 C71377 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.30 COC1=C(N)C=CC(Cl)=C1 AB2767 [1,1,0,0,0,0|1,1,0]=4 470 B10R1.30 COC1=C(N)C=CC(N)=C1 E10141 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.30 COC1=C(N)C=CC(O)=C1 30482 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.30 COC1=C(O)C=CC(Br)=N1 C11325 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.30 COC1=CC(Br)=NC=C1Br 94342 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.30 COC1=CC(Br)=NC=C1C A11960 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.30 CSC1=C(C)C=CC(Cl)=C1 D83340 [1,1,0,0,0,0|1,1,0]=4 477 B10R1.30 ClCC1=C(Br)C=CC(Br)=C1 68638 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.30 ClCC1=C(Cl)C=CC(Br)=C1 35517 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.30 FC1=CN=C(Br)C=C1CCl 89498 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 35510 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.30 NC1=CN=C(Br)C=C1CO P19795 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.30 NCC1=C(Br)C=CC(Br)=C1 N12804 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.30 NCC1=C(F)C=CC(Cl)=C1 CK1118 [1,1,0,0,0,0|0,1,0]=3 484 B10R1.30 NCC1=C(N)C=CC(Br)=C1 C71032 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.30 NCC1=C(O)C=CC(Br)=C1 O10496 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.30 NNC1=C(F)C=CC(Br)=C1 C74046 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.30 OCC1=C(Br)C=CC(Br)=N1 AT15259 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C76883 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.30 OCC1=C(F)C=CC(Br)=N1 79199 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.30 OCC1=CC(Br)=CN=C1O C71870 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.30 OCC1=CC(Br)=NC=C1Br 80204 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [1,1,0,0,0,0|0,1,1]=4 495 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|0,1,1]=4 498 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [1,1,0,0,0,0|1,1,0]=4 503 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [1,1,0,0,0,0|1,1,0]=4 506 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.113 CN(C)C1=NC=CC(Br)=C1 26905 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y10857 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y11465 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [1,1,0,0,0,0|1,1,0]=4 527 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [1,1,0,0,0,0|1,1,0]=4 528 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [1,1,0,0,0,0|1,1,0]=4 529 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [1,1,0,0,0,0|1,1,0]=4 530 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 74119 [1,1,0,0,0,0|1,1,0]=4 531 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11225 [1,1,0,0,0,0|1,1,0]=4 532 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y12112 [1,1,0,0,0,0|1,1,0]=4 533 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13390 [1,1,0,0,0,0|1,1,0]=4 534 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13391 [1,1,0,0,0,0|1,1,0]=4 535 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [1,1,0,0,0,0|1,1,0]=4 536 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [1,1,0,0,0,0|1,1,0]=4 537 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [1,1,0,0,0,0|1,1,0]=4 538 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [1,1,0,0,0,0|0,1,0]=3 548 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [1,1,0,0,0,0|0,1,0]=3 549 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [1,1,0,0,0,0|0,1,0]=3 550 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [1,1,0,0,0,0|1,1,0]=4 551 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [1,1,0,0,0,0|1,1,0]=4 552 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [1,1,0,0,0,0|0,1,0]=3 553 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [1,1,0,0,0,0|0,1,0]=3 554 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [1,1,0,0,0,0|0,1,0]=3 555 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [1,1,0,0,0,0|0,1,0]=3 556 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [1,1,0,0,0,0|0,1,0]=3 557 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [1,1,0,0,0,0|1,1,0]=4 558 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [1,1,0,0,0,0|1,1,0]=4 559 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [1,1,0,0,0,0|1,1,0]=4 560 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [1,1,0,0,0,0|1,1,0]=4 561 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [1,1,0,0,0,0|0,0,0]=2 568 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [1,1,0,0,0,0|0,1,0]=3 569 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [1,1,0,0,0,0|0,1,0]=3 570 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [1,1,0,0,0,0|0,1,0]=3 571 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.113 FC(F)C1=CC(Br)=NC=C1 D75131 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [1,1,0,0,0,0|1,1,0]=4 574 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.172 C#CC1=CC=CC(CN)=C1 C75883 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.172 C#CC1=CC=CC(SC)=C1 W13076 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.172 CCC1=CC=CC(CO)=N1 26583 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.172 CNC1=CC=CC(C#N)=C1 O10890 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.172 CNC1=CC=CC(NC)=C1 76715 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.172 COC1=CN=CC(CN)=C1 38429 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.172 COC1=CN=CC(CN)=C1 Y14791 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.172 COC1=NC(CN)=CC=C1 Y11459 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.172 COC1=NC=CC(CN)=C1 36533 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.172 COC1=NC=CC(CN)=C1 Y13036 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.172 N#CC1=CC(CN)=CC=C1 CL8992 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.172 NCC1=CC=CC(CN)=N1 C11112 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.172 NCC1=CC=CC(CO)=N1 C15881 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.172 NCC1=CC=CC(CO)=N1 C73446 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.172 OCC1=CC=CC(CBr)=C1 23785 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 C76015 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.176 CC1=C(Br)C=NC(CN)=C1 D79769 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.176 CC1=CC(CN)=CN=C1Cl D79766 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,1,0,0,0,0|0,0,0]=2 604 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [1,1,0,0,0,0|0,0,0]=2 605 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [1,1,0,0,0,0|0,1,0]=3 608 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [1,1,0,0,0,0|1,1,0]=4 611 B10R1.176 CN1C=C(CN)C=CC1=O P16593 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.176 CN1C=CC(CN)=CC1=O 37096 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 COC1=CC(Br)=C(Cl)C=N1 C71758 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 COC1=CC(Br)=C(Cl)N=C1 C14046 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 COC1=CC(Br)=C(F)C=N1 F12224 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [1,1,0,0,0,0|1,1,0]=4 619 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 COC1=CC=C(Br)C(Br)=N1 S10112 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 76034 [1,1,0,0,0,0|1,1,0]=4 623 B10R1.176 FC1=C(I)C=CC(CBr)=C1 CL9459 [1,1,0,0,0,0|1,1,0]=4 624 B10R1.176 FC1=CC=C(CCl)N=C1Br D79887 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [1,1,0,0,0,0|1,1,0]=4 626 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.176 NCC1=CC(F)=C(Br)C=C1 95673 [1,1,0,0,0,0|0,1,0]=3 628 B10R1.176 NCC1=CC(F)=C(Br)C=C1 CS1629 [1,1,0,0,0,0|0,1,0]=3 629 B10R1.176 NCC1=CC(F)=C(N)C=C1 C90556 [1,1,0,0,0,0|0,1,0]=3 630 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.176 NCC1=CC=C(Cl)C(Cl)=N1 Y13179 [1,1,0,0,0,0|1,1,0]=4 634 B10R1.176 NCC1=CN=C(Cl)C(F)=C1 Y12730 [1,1,0,0,0,0|1,1,0]=4 635 B10R1.176 NCC1=NC(Cl)=C(Br)C=C1 C73424 [1,1,0,0,0,0|1,1,0]=4 636 B10R1.176 NNC1=CC(Cl)=C(Br)C=C1 F17062 [1,1,0,0,0,0|1,1,0]=4 637 B10R1.176 NNC1=CC(F)=C(Br)C=C1 H10006 [1,1,0,0,0,0|1,1,0]=4 638 B10R1.176 NNC1=CC(F)=C(Br)C=C1 H11440 [1,1,0,0,0,0|1,1,0]=4 639 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.1 NNCC1=CN=C(Cl)C=C1 W16788 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|0,0,0]=2 660 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|0,0,2]=4 664 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|0,0,0]=2 667 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,1]=4 678 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,1]=4 679 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [1,1,0,0,0,0|1,0,1]=4 697 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|0,0,0]=2 698 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [1,1,0,0,0,0|1,0,1]=4 700 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|1,0,1]=4 709 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,1,0,0,0,0|1,0,0]=3 712 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [1,1,0,0,0,0|0,0,1]=3 719 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.17 NCCNC1=NC=CC=N1 C72507 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.17 NCCOC1=CC=NC=C1 F31099 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.17 OCCOC1=CN=CC=C1 D86242 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,1,0,0,0,0|0,0,1]=3 727 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|0,0,1]=3 730 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|0,0,1]=3 731 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,1,0,0,1,0|2,0,0]=4 732 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,1,0,0,1,0|2,0,0]=4 733 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO 90494 [0,2,0,0,0,0|1,1,0]=4 734 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO 90495 [0,2,0,0,0,0|1,1,0]=4 735 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO 90496 [0,2,0,0,0,0|1,1,0]=4 736 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO N11446 [0,2,0,0,0,0|1,1,0]=4 737 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO Y11191 [0,2,0,0,0,0|1,1,0]=4 738 B12R1.24 CC1=CC=CC([C@@H](N)CO)=C1Cl Y12302 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.24 CC1=CC=CC([C@@H](N)CO)=C1Cl Y12303 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.24 CC1=CC=CC([C@@H](N)CO)=C1Cl Y13299 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F Y11776 [0,2,0,0,0,0|1,1,0]=4 742 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F Y12448 [0,2,0,0,0,0|1,1,0]=4 743 B12R1.24 CC[C@H](O)C1=CC=CC(F)=C1C W10780 [0,2,0,0,0,0|1,1,0]=4 744 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F N11440 [0,2,0,0,0,0|1,1,0]=4 745 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F N11445 [0,2,0,0,0,0|1,1,0]=4 746 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F Y10836 [0,2,0,0,0,0|1,1,0]=4 747 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F Y12982 [0,2,0,0,0,0|1,1,0]=4 748 B12R1.25 CCNCC1=CC=CC(F)=C1F AC2475 [0,2,0,0,0,0|1,1,0]=4 749 B12R1.224 O=C(O)CC1=CC=CC(Br)=C1Cl CL9124 [0,2,0,0,0,0|1,0,1]=4 750 B12R1.544 N#CCC1=CC=C(F)C(Br)=C1F 98288 [0,2,0,0,0,0|0,0,2]=4 751 B12R1.10 CC(C)(C#N)C1=CC=CC(Br)=C1 68341 [0,2,0,0,0,0|0,0,2]=4 752 B12R1.10 CC(C)(CO)C1=CC(Br)=CN=C1 69671 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.10 CC(C)(CO)C1=CC=CC(Br)=C1 C76612 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.17 N#CC[C@H](N)C1=CC=CC(Br)=C1 Y14263 [0,2,0,0,0,0|0,0,1]=3 757 B12R1.17 N#CC[C@H](N)C1=CC=CC(Cl)=C1 Y14267 [0,2,0,0,0,0|0,1,1]=4 758 B12R1.17 N#CC[C@H](N)C1=CC=CC(F)=C1 Y14254 [0,2,0,0,0,0|0,1,1]=4 759 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,2,0,0,0,0|1,1,0]=4 762 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,2,0,0,0,0|1,1,0]=4 763 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,2,0,0,0,0|1,1,0]=4 764 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,2,0,0,0,0|1,1,0]=4 765 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,2,0,0,0,0|1,1,0]=4 767 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 N12197 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y11951 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y13383 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Br)=C1 Y14748 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11171 [0,2,0,0,0,0|1,1,0]=4 772 B12R1.225 CC(C)[C@H](N)C1=CC=CC(Cl)=C1 Y11172 [0,2,0,0,0,0|1,1,0]=4 773 B12R1.225 C[C@H](O)[C@H](N)C1=CC=CC(Br)=C1 N15616 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,2,0,0,0,0|0,1,1]=4 775 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y10943 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 Y11229 [0,2,0,0,0,0|1,0,1]=4 777 B12R1.225 O=C(C1=CC=CC(Br)=C1)C(F)F 79339 [0,2,0,0,0,0|1,0,1]=4 778 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Br)=C1 W18887 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(Br)=C1 N15351 [0,2,0,0,0,0|1,0,1]=4 780 B12R1.354 CC1=C(C(=O)NN)C=C(Br)C=C1 W11103 [0,2,0,0,0,0|1,0,1]=4 781 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12451 [0,2,0,0,0,0|1,1,0]=4 782 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12452 [0,2,0,0,0,0|1,1,0]=4 783 B12R1.354 CC1=C([C@@H](N)CO)C=C(F)C=C1 Y12973 [0,2,0,0,0,0|1,1,0]=4 784 B12R1.354 CC1=CC([C@@H](N)CO)=C(C)C=C1 Y12056 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.354 CC1=CC([C@@H](N)CO)=C(C)C=C1 Y12057 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.354 CC1=CC([C@@H](N)CO)=C(C)C=C1 Y12284 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 F19670 [0,2,0,0,0,0|1,0,1]=4 788 B12R1.354 CCC(=O)C1=C(N)C=CC(Br)=C1 C14451 [0,2,0,0,0,0|1,0,1]=4 789 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y12263 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13195 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13210 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13294 [0,2,0,0,0,0|1,0,0]=3 793 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y11974 [0,2,0,0,0,0|1,1,0]=4 794 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y12040 [0,2,0,0,0,0|1,1,0]=4 795 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(F)=C1 Y13015 [0,2,0,0,0,0|1,1,0]=4 796 B12R1.354 CC[C@H](N)C1=C(C)C=CC(C)=C1 Y12442 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.354 CC[C@H](N)C1=C(C)C=CC(C)=C1 Y12443 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y12600 [0,2,0,0,0,0|1,1,0]=4 799 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13263 [0,2,0,0,0,0|1,1,0]=4 800 B12R1.354 CC[C@H](N)C1=C(C)C=CC(F)=C1 Y13286 [0,2,0,0,0,0|1,1,0]=4 801 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12154 [0,2,0,0,0,0|1,1,0]=4 802 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12155 [0,2,0,0,0,0|1,1,0]=4 803 B12R1.354 CC[C@H](N)C1=C(Cl)C=CC(F)=C1 Y12930 [0,2,0,0,0,0|1,1,0]=4 804 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11972 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11973 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.354 CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12947 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 S10040 [0,2,0,0,0,0|1,1,0]=4 808 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y11981 [0,2,0,0,0,0|1,1,0]=4 809 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y11982 [0,2,0,0,0,0|1,1,0]=4 810 B12R1.354 CC[C@H](N)C1=C(O)C=CC(F)=C1 Y13005 [0,2,0,0,0,0|1,1,0]=4 811 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 W17964 [0,2,0,0,0,0|1,1,0]=4 812 B12R1.354 N[C@@H](CO)C1=C(Br)C=CC(F)=C1 Y11674 [0,2,0,0,0,0|1,1,0]=4 813 B12R1.354 N[C@@H](CO)C1=C(Br)C=CC(F)=C1 Y12070 [0,2,0,0,0,0|1,1,0]=4 814 B12R1.354 N[C@@H](CO)C1=C(Br)C=CC(F)=C1 Y13021 [0,2,0,0,0,0|1,1,0]=4 815 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Br)=C1 Y14317 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 N17025 [0,2,0,0,0,0|1,1,0]=4 817 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 N17026 [0,2,0,0,0,0|1,1,0]=4 818 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y12073 [0,2,0,0,0,0|1,1,0]=4 819 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y12074 [0,2,0,0,0,0|1,1,0]=4 820 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y12994 [0,2,0,0,0,0|1,1,0]=4 821 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(Cl)=C1 Y14861 [0,2,0,0,0,0|1,1,0]=4 822 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12159 [0,2,0,0,0,0|1,1,0]=4 823 B12R1.354 N[C@@H](CO)C1=C(Cl)C=CC(F)=C1 Y12938 [0,2,0,0,0,0|1,1,0]=4 824 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(Br)=C1 N11208 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N10532 [0,2,0,0,0,0|1,1,0]=4 826 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N11176 [0,2,0,0,0,0|1,1,0]=4 827 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 Y10339 [0,2,0,0,0,0|1,1,0]=4 828 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 Y10340 [0,2,0,0,0,0|1,1,0]=4 829 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 Y12064 [0,2,0,0,0,0|1,1,0]=4 830 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 N17051 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.358 CC1=CC(C)=CC([C@@H](N)CO)=C1 Y13824 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 N12933 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12541 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.358 CC[C@H](N)C1=CC(Br)=CC(F)=C1 Y12893 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 N10826 [0,2,0,0,0,0|1,1,0]=4 836 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y10262 [0,2,0,0,0,0|1,1,0]=4 837 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y11761 [0,2,0,0,0,0|1,1,0]=4 838 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y11762 [0,2,0,0,0,0|1,1,0]=4 839 B12R1.358 CC[C@H](N)C1=CC(F)=CC(F)=C1 Y12258 [0,2,0,0,0,0|1,1,0]=4 840 B12R1.358 NC[C@H](O)C1=CC(Cl)=CC(Cl)=C1 AR2882 [0,2,0,0,0,0|0,1,0]=3 841 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y11503 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y12562 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.358 N[C@@H](CO)C1=CC(Br)=CC(F)=C1 Y13281 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(Cl)=C1 29449 [0,2,0,0,0,0|1,1,0]=4 845 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(Cl)=C1 Y11113 [0,2,0,0,0,0|1,1,0]=4 846 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(F)=C1 Y12081 [0,2,0,0,0,0|1,1,0]=4 847 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(F)=C1 Y12082 [0,2,0,0,0,0|1,1,0]=4 848 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(F)=C1 Y13250 [0,2,0,0,0,0|1,1,0]=4 849 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 F16909 [0,2,0,0,0,0|1,1,0]=4 850 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 N11444 [0,2,0,0,0,0|1,1,0]=4 851 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 Y10330 [0,2,0,0,0,0|1,1,0]=4 852 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 Y10658 [0,2,0,0,0,0|1,1,0]=4 853 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 Y11622 [0,2,0,0,0,0|1,1,0]=4 854 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12560 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12561 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13008 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13260 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13283 [0,2,0,0,0,0|2,0,0]=4 859 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13357 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13259 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13282 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N11061 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12884 [0,2,0,0,0,0|1,1,0]=4 864 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11975 [0,2,0,0,0,0|1,1,0]=4 865 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11976 [0,2,0,0,0,0|1,1,0]=4 866 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y12956 [0,2,0,0,0,0|1,1,0]=4 867 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10297 [0,2,0,0,0,0|1,1,0]=4 868 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10298 [0,2,0,0,0,0|1,1,0]=4 869 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11774 [0,2,0,0,0,0|1,1,0]=4 870 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11775 [0,2,0,0,0,0|1,1,0]=4 871 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y13035 [0,2,0,0,0,0|1,1,0]=4 872 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 80144 [0,2,0,0,0,0|0,1,1]=4 873 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A11075 [0,2,0,0,0,0|1,0,1]=4 874 B12R1.367 NC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 AR2885 [0,2,0,0,0,0|0,1,0]=3 875 B12R1.367 NC[C@H](O)C1=CC(F)=C(F)C=C1 C77696 [0,2,0,0,0,0|0,1,0]=3 876 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12589 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y11512 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y12734 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 I10854 [0,2,0,0,0,0|1,1,0]=4 880 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 N11443 [0,2,0,0,0,0|1,1,0]=4 881 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y10365 [0,2,0,0,0,0|1,1,0]=4 882 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y10735 [0,2,0,0,0,0|1,1,0]=4 883 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y11112 [0,2,0,0,0,0|1,1,0]=4 884 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(F)C=C1 F16945 [0,2,0,0,0,0|1,1,0]=4 885 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(F)C=C1 N11098 [0,2,0,0,0,0|1,1,0]=4 886 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 N11284 [0,2,0,0,0,0|1,1,0]=4 887 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12071 [0,2,0,0,0,0|1,1,0]=4 888 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12072 [0,2,0,0,0,0|1,1,0]=4 889 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12454 [0,2,0,0,0,0|1,1,0]=4 890 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y10327 [0,2,0,0,0,0|1,1,0]=4 891 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y11190 [0,2,0,0,0,0|1,1,0]=4 892 B12R1.367 OC[C@H](Cl)C1=CC(Cl)=C(Cl)C=C1 58258 [0,2,0,0,0,0|1,1,0]=4 893 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 89816 [0,2,0,0,0,0|1,1,0]=4 894 B12R1.367 O[C@@H](CCl)C1=CC(Cl)=C(Cl)C=C1 58260 [0,2,0,0,0,0|1,1,0]=4 895 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 Y10305 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.435 CC[C@H](N)C1=CC=CC(C#N)=C1 Y11076 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 I11000 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10279 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y10692 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11031 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 Y11911 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11092 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N11180 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 N13158 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10659 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.435 COC1=CC([C@@H](N)CO)=CC=C1 Y10687 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.435 CSC1=CC([C@@H](N)CO)=CC=C1 D81282 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.435 N#CC1=CC=CC([C@@H](N)CO)=C1 Y10872 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.435 N#CC1=CC=CC([C@@H](N)CO)=C1 Y12978 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,2,0,0,0,0|1,1,0]=4 911 B12R1.28 COCCOC1=NC=CC(Br)=C1 C72171 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [0,2,0,0,0,0|0,1,0]=3 913 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [0,2,0,0,0,0|0,1,0]=3 914 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,2,0,0,0,0|1,1,0]=4 917 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 D84555 [0,2,0,0,0,0|0,1,1]=4 918 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,2,0,0,0,0|0,1,1]=4 919 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,2,0,0,0,0|0,1,0]=3 920 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,2,0,0,0,0|0,1,0]=3 921 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,2,0,0,0,0|0,1,0]=3 922 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,2,0,0,0,0|0,1,0]=3 923 B12R1.50 N\C(CC1=CC=CC(Br)=C1)=N\O 72183 [0,2,0,0,0,0|0,0,1]=3 924 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.374 BrCCOC1=C(Br)C=CC(Br)=C1 33706 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 31606 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 31829 [0,2,0,0,0,0|1,1,0]=4 929 B12R1.374 CCNCC1=C(O)C=CC(F)=C1 31723 [0,2,0,0,0,0|1,1,0]=4 930 B12R1.374 NC1=C(OCCO)C=C(F)C=C1 F20198 [0,2,0,0,0,0|1,1,0]=4 931 B12R1.382 CCNCC1=CC=CC(OC)=C1 78288 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.382 CNCCC1=CC=CC(OC)=C1 27068 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.382 COC1=CC=CC(CCCBr)=C1 C78405 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.382 COC1=CC=CC(OCCN)=C1 30446 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.382 COCCC1=CC(CN)=CC=C1 32411 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.382 N#CC1=CC=CC(OCCBr)=C1 71903 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.382 N#CC1=CC=CC(OCCN)=C1 31476 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.385 CC1=C(Br)C=C(SCCO)C=C1 79550 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.385 CCCOC1=CC(N)=C(N)C=C1 79315 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.385 CCNCC1=CC(O)=C(O)C=C1 32542 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.41 CCOC1=CC(C=O)=CC(Br)=C1 D83052 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.41 COC1=CC(CC#N)=CC(Br)=C1 98289 [0,2,0,0,0,0|0,0,2]=4 943 B12R1.41 COC1=CC(CCN)=CC(Br)=C1 88825 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.41 COC1=CC(N)=CC(CCO)=C1 C12282 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.19 N=C(N)CC1=CC(Cl)=C(Cl)C=C1 S10695 [0,2,0,0,0,0|0,1,1]=4 947 B12R1.19 NC1=C(Br)C=C(CC(=O)O)C=C1 D78654 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.119 CC(C)(O)CC1=CC=CC(Br)=N1 C77297 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.127 CC(C)CC1=C(O)C=CC(O)=C1 A11730 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.438 COC1=CC(C[C@H](C)N)=CC=C1 58519 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.268 COC1=C(CCN)C=C(F)C=C1 I11946 [0,2,0,0,0,0|0,1,0]=3 952 B12R1.268 N#CCC1=C(C#N)C=CC(Br)=C1 27155 [0,2,0,0,0,0|0,0,2]=4 953 B12R1.270 COC1=CC(CCN)=C(Br)C=C1 W10180 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.270 COC1=CC(CCO)=C(Br)C=C1 C10727 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.1123 N#CCC1=CC(Br)=C(F)C=C1Cl 76227 [0,2,0,0,0,0|0,0,2]=4 956 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O 73849 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.279 O=C(O)C1=CC(CCO)=CC=C1 79460 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.279 O=[N+]([O-])C1=CC(CCO)=CC=C1 A50688 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.279 OCCC1=CC(B(O)O)=CC=C1 F30067 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.286 COC1=C(Br)C=CC(CCN)=C1 63217 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [0,0,1,1,0,0|0,0,2]=4 962 B10R1.25 NCC1=C(Cl)C=C(Br)C=C1 Y12485 [0,0,1,1,0,0|1,0,1]=4 963 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [0,0,1,1,0,0|1,0,1]=4 964 B10R1.245 NCC1=C(Br)C=CC=C1Br O10035 [0,0,1,1,0,0|1,0,1]=4 965 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [1,0,0,1,0,0|1,0,0]=3 966 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [1,0,0,1,0,0|1,0,0]=3 967 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|1,0,0]=3 968 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|1,0,0]=3 969 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|1,0,0]=3 970 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|1,0,0]=3 971 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|1,0,1]=4 972 B12R2.81 CC1=CC=CC(C2CC2)=C1O 91443 [0,1,0,1,0,0|2,0,0]=4 973 B12R2.82 CC1=C(Br)C2=C(C=C1)C=NN2 78649 [0,1,0,1,0,0|1,0,1]=4 974 B12R2.82 CC1=C(Br)C=CC2=C1C=CN2 P16118 [0,1,0,1,0,0|0,0,2]=4 975 B12R2.82 CC1=C(Br)C=CC2=C1CNC2 82202 [0,1,0,1,0,0|2,0,0]=4 976 B12R2.82 CC1=C(Br)C=CC2=C1N=CN2 C77285 [0,1,0,1,0,0|1,0,1]=4 977 B12R2.82 CC1=CC=C2CCNC2=C1N P20142 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.82 ClC1=C(Br)C2=C(C=C1)C=NN2 P18260 [0,1,0,1,0,0|1,0,1]=4 979 B12R2.82 ClC1=C(Br)C=CC2=C1C=CN2 AC9269 [0,1,0,1,0,0|0,0,2]=4 980 B12R2.82 FC1=C(Br)C=CC2=C1CCN2 36640 [0,1,0,1,0,0|0,0,0]=2 981 B12R2.82 FC1=C(Br)C=CC2=C1OCO2 C71857 [0,1,0,1,0,0|2,0,0]=4 982 B12R2.82 NC1=C(Br)C2=C(C=C1)CCC2 AC6580 [0,1,0,1,0,0|1,0,0]=3 983 B12R2.82 NC1=C(Br)C=CC2=C1OCO2 P16934 [0,1,0,1,0,0|2,0,0]=4 984 B12R2.202 C[C@H]1CC2=CC=CC(N)=C2N1 P20141 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.202 NC1=CC2=C(Br)C=CC=C2S1 P12940 [0,1,0,1,0,0|1,0,1]=4 986 B12R2.202 NC1=CC2=CC=CC(Br)=C2S1 P12082 [0,1,0,1,0,0|0,0,2]=4 987 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [0,1,0,1,0,0|1,0,1]=4 988 B12R2.202 NC1=NC2=C(Br)C=CC=C2O1 C13690 [0,1,0,1,0,0|1,0,1]=4 989 B12R2.202 NC1=NC2=CC=CC(Br)=C2O1 F10223 [0,1,0,1,0,0|1,0,1]=4 990 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [0,1,0,1,0,0|1,0,1]=4 991 B12R2.202 O=C1CC2=CN=CC(Br)=C2N1 P14743 [0,1,0,1,0,0|1,0,1]=4 992 B12R2.202 O=C1CC2=NC=CC(Br)=C2N1 D96612 [0,1,0,1,0,0|1,0,1]=4 993 B12R2.202 O=C1NC2=CC=CC(Br)=C2N1 C91054 [0,1,0,1,0,0|1,0,1]=4 994 B12R2.202 O[C@H]1CC2=CC=CC(Br)=C2C1 31670 [0,1,0,1,0,0|1,0,0]=3 995 B12R2.1081 BrC1=C2CCCCC2=CN=C1 84232 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.1081 BrC1=C2CCCNC2=NC=C1 W14857 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,1,0,1,0,0|1,0,0]=3 998 B12R2.1081 BrC1=C2CCOCC2=CC=C1 N13086 [0,1,0,1,0,0|1,0,0]=3 999 B12R2.1081 BrC1=C2CNCCC2=CC=C1 P10908 [0,1,0,1,0,0|0,0,0]=2 1000 B12R2.1081 BrC1=C2COCCC2=CC=C1 72830 [0,1,0,1,0,0|1,0,0]=3 1001 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,1,0,1,0,0|0,0,0]=2 1002 B12R2.1081 BrC1=C2NCCCC2=CN=C1 38740 [0,1,0,1,0,0|1,0,0]=3 1003 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,1,0,1,0,0|1,0,0]=3 1004 B12R2.1081 BrC1=C2OCCNC2=CC=C1 69215 [0,1,0,1,0,0|1,0,0]=3 1005 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,1,0,1,0,0|2,0,0]=4 1007 B12R2.1081 CC1=CC=CC2=C1CCNC2 71743 [0,1,0,1,0,0|2,0,0]=4 1008 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,1,0,1,0,0|1,1,0]=4 1010 B12R2.1081 ClC1=C2CCNCC2=CC=C1 F52623 [0,1,0,1,0,0|1,1,0]=4 1011 B12R2.1081 ClC1=C2CNCCC2=CC=C1 24214 [0,1,0,1,0,0|0,1,0]=3 1012 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,1,0,1,0,0|0,1,0]=3 1013 B12R2.1081 ClC1=C2NCCOC2=NC=C1 84595 [0,1,0,1,0,0|1,1,0]=4 1014 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,1,0,1,0,0|1,1,0]=4 1015 B12R2.1081 ClC1=C2OCCNC2=CC=C1 W10055 [0,1,0,1,0,0|1,1,0]=4 1016 B12R2.1081 ClC1=NC=CC2=C1NCCO2 80151 [0,1,0,1,0,0|1,1,0]=4 1017 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,1,0,1,0,0|1,1,0]=4 1018 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,1,0,1,0,0|1,1,0]=4 1019 B12R2.1081 FC1=C2CCNCC2=CC=C1 26908 [0,1,0,1,0,0|1,1,0]=4 1020 B12R2.1081 FC1=C2CCNCC2=CC=C1 F13835 [0,1,0,1,0,0|1,1,0]=4 1021 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,1,0,1,0,0|0,1,0]=3 1022 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,1,0,1,0,0|1,1,0]=4 1023 B12R2.1081 FC1=C2OCCNC2=CC=C1 70451 [0,1,0,1,0,0|1,1,0]=4 1024 B12R2.1081 NC1=C2CNCCC2=CC=C1 81638 [0,1,0,1,0,0|1,0,0]=3 1025 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,1,0,1,0,0|2,0,0]=4 1026 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,1,0,1,0,0|2,0,0]=4 1030 B12R2.1081 OC1=C2CCNCC2=CC=C1 71954 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.1081 OC1=C2CCNCC2=CC=C1 D80201 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.1081 OC1=C2CNCCC2=CC=C1 F19176 [0,1,0,1,0,0|1,0,0]=3 1033 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,1,0,1,0,0|0,1,0]=3 1034 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,1,0,1,0,0|0,1,0]=3 1035 B12R2.132 BrC1=CC2=C(C=C1)NC=C2I F15896 [0,1,0,1,0,0|0,0,2]=4 1036 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|2,0,0]=4 1038 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,1,0,0|1,0,0]=3 1039 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,1,0,0|1,0,0]=3 1041 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,1,0,0|1,0,0]=3 1042 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,1,0,0|1,0,0]=3 1043 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,1,0,0|1,0,0]=3 1044 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,1,0,0|1,1,0]=4 1045 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,1,0,0|1,1,0]=4 1046 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,1,0,0|1,1,0]=4 1047 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,1,0,0|1,1,0]=4 1048 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,1,0,0|1,1,0]=4 1049 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,1,0,0|1,1,0]=4 1050 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,1,0,0|2,0,0]=4 1051 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,1,0,0|2,0,0]=4 1052 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y14813 [0,1,0,1,0,0|1,0,0]=3 1053 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N10934 [0,1,0,1,0,0|1,1,0]=4 1054 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|1,0,1]=4 1055 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,1,0,0|1,0,1]=4 1056 B12R2.132 OC1=NNC2=C1C=C(Br)C=C2 67466 [0,1,0,1,0,0|1,0,1]=4 1057 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,1,0,0|1,0,0]=3 1058 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,1,0,0|1,1,0]=4 1059 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,1,0,0|1,1,0]=4 1060 B12R2.132 O[C@H]1CCC2=C1N=C(Br)C=C2 D79272 [0,1,0,1,0,0|2,0,0]=4 1061 B12R2.196 BrC1=CC=CC2=C1NN=C2I P10628 [0,1,0,1,0,0|1,0,1]=4 1062 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,1,0,0|2,0,0]=4 1063 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,1,0,0|2,0,0]=4 1064 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,1,0,0|2,0,0]=4 1065 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 CL3496 [0,1,0,1,0,0|1,0,1]=4 1066 B12R2.196 C[C@H]1CNC2=C(N)C=CC=C21 P20144 [0,1,0,1,0,0|1,0,0]=3 1067 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 P10394 [0,1,0,1,0,0|1,0,1]=4 1068 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,1,0,0|1,0,0]=3 1069 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,1,0,0|1,0,0]=3 1070 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,1,0,0|1,0,0]=3 1071 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,1,0,0|1,0,0]=3 1072 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,1,0,0|1,0,0]=3 1073 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,1,0,0|1,0,0]=3 1074 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,1,0,0|1,1,0]=4 1075 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,1,0,0|1,1,0]=4 1076 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,1,0,0|1,1,0]=4 1077 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,1,0,0|1,1,0]=4 1078 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,1,0,0|1,1,0]=4 1079 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,1,0,0|2,0,0]=4 1080 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,1,0,0|2,0,0]=4 1081 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,1,0,0|2,0,0]=4 1082 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11159 [0,1,0,1,0,0|1,0,0]=3 1083 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11250 [0,1,0,1,0,0|1,0,0]=3 1084 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11240 [0,1,0,1,0,0|1,1,0]=4 1085 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N16512 [0,1,0,1,0,0|1,1,0]=4 1086 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11235 [0,1,0,1,0,0|1,1,0]=4 1087 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N16511 [0,1,0,1,0,0|1,1,0]=4 1088 B12R2.196 O[C@H]1CCC2=C(Br)C=NC=C21 84236 [0,1,0,1,0,0|2,0,0]=4 1089 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,1,0,0|1,1,0]=4 1090 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,1,0,0|1,1,0]=4 1091 B12R2.196 O[C@H]1COC2=C(Br)C=CC=C21 Y10971 [0,1,0,1,0,0|1,0,0]=3 1092 B12R2.1282 CC1=CC=CC(C2(N)CC2)=C1 N10818 [0,1,0,1,0,0|2,0,0]=4 1093 B12R2.1282 NC1(C2=CC(Br)=CN=C2)CC1 83706 [0,1,0,1,0,0|2,0,0]=4 1094 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 28122 [0,1,0,1,0,0|1,0,0]=3 1095 B12R2.2313 BrC1=CC(C2CCC2)=NC=C1 84228 [0,1,0,1,0,0|2,0,0]=4 1096 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 85615 [0,1,0,1,0,0|0,0,0]=2 1097 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19006 [0,1,0,1,0,0|0,0,0]=2 1098 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19042 [0,1,0,1,0,0|0,0,0]=2 1099 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 85611 [0,1,0,1,0,0|0,1,0]=3 1100 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 I11495 [0,1,0,1,0,0|1,0,0]=3 1101 B12R2.24 BrC1=CC2=C(C=C1)CCOC2 O11641 [0,1,0,1,0,0|1,0,0]=3 1102 B12R2.24 BrC1=CC2=C(C=C1)COCC2 72150 [0,1,0,1,0,0|1,0,0]=3 1103 B12R2.24 BrC1=CC2=C(C=C1)NCCN2 AT11557 [0,1,0,1,0,0|0,0,0]=2 1104 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 25915 [0,1,0,1,0,0|0,0,0]=2 1105 B12R2.24 BrC1=CC2=C(C=C1)OCC=C2 Y12222 [0,1,0,1,0,0|1,0,1]=4 1106 B12R2.24 BrC1=CN=C2CCNCC2=C1 21007 [0,1,0,1,0,0|2,0,0]=4 1107 B12R2.24 BrC1=CN=C2CCNCC2=C1 P19234 [0,1,0,1,0,0|2,0,0]=4 1108 B12R2.24 BrC1=CN=C2CCNCC2=C1 SC2711 [0,1,0,1,0,0|2,0,0]=4 1109 B12R2.24 BrC1=CN=C2NCCCC2=C1 51323 [0,1,0,1,0,0|1,0,0]=3 1110 B12R2.24 BrC1=CN=C2NCCNC2=C1 F53500 [0,1,0,1,0,0|1,0,0]=3 1111 B12R2.24 BrC1=CN=C2OCCNC2=C1 F30181 [0,1,0,1,0,0|2,0,0]=4 1112 B12R2.24 BrC1=CN=C2OCCOC2=C1 F14749 [0,1,0,1,0,0|2,0,0]=4 1113 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [0,1,0,1,0,0|2,0,0]=4 1114 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 C71819 [0,1,0,1,0,0|1,0,0]=3 1115 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,1,0,0|2,0,0]=4 1116 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,1,0,0|2,0,0]=4 1117 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,1,0,0|2,0,0]=4 1118 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,1,0,0|2,0,0]=4 1119 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,1,0,1,0,0|2,0,0]=4 1120 B12R2.24 CC1=CC2=C(C=C1)NCCN2 D78710 [0,1,0,1,0,0|1,0,0]=3 1121 B12R2.24 CC1=CC2=C(C=C1)NCCS2 72217 [0,1,0,1,0,0|1,0,0]=3 1122 B12R2.24 CC1=CC=C2NCCNC2=N1 C72059 [0,1,0,1,0,0|2,0,0]=4 1123 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,1,0,1,0,0|1,1,0]=4 1124 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [0,1,0,1,0,0|1,1,0]=4 1125 B12R2.24 ClC1=CC2=C(C=C1)CCCO2 Y13230 [0,1,0,1,0,0|1,1,0]=4 1126 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 28104 [0,1,0,1,0,0|1,1,0]=4 1127 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 O11644 [0,1,0,1,0,0|1,1,0]=4 1128 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 83052 [0,1,0,1,0,0|0,1,0]=3 1129 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 27238 [0,1,0,1,0,0|0,1,0]=3 1130 B12R2.24 ClC1=CC2=C(C=C1)OCCC2 N11282 [0,1,0,1,0,0|1,1,0]=4 1131 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 VT1094 [0,1,0,1,0,0|1,1,0]=4 1132 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 F11138 [0,1,0,1,0,0|1,1,0]=4 1133 B12R2.24 ClC1=NC2=C(C=C1)NCCN2 27365 [0,1,0,1,0,0|1,1,0]=4 1134 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,1,0,1,0,0|1,1,0]=4 1135 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [0,1,0,1,0,0|1,1,0]=4 1136 B12R2.24 FC1=CC2=C(C=C1)CCCO2 Y13024 [0,1,0,1,0,0|1,1,0]=4 1137 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,1,0,1,0,0|1,1,0]=4 1138 B12R2.24 FC1=CC2=C(C=C1)OCCN2 C71739 [0,1,0,1,0,0|1,1,0]=4 1139 B12R2.24 IC1=CC2=C(C=C1)OCCC2 32826 [0,1,0,1,0,0|1,1,0]=4 1140 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.24 NC1=CC2=C(C=C1)CCCO2 Y13028 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.24 NC1=CC2=C(C=C1)CCNC2 F19187 [0,1,0,1,0,0|2,0,0]=4 1143 B12R2.24 NC1=CC2=C(C=C1)CNCC2 51458 [0,1,0,1,0,0|1,0,0]=3 1144 B12R2.24 NC1=CC2=C(C=C1)CNCC2 52057 [0,1,0,1,0,0|1,0,0]=3 1145 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y12467 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y13365 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.24 NC1=CC2=C(C=C1)OCCN2 P16924 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.24 O=C1C=CC2=C(CCNC2)N1 89007 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.24 O=C1C=CC2=C(CCNC2)N1 C76139 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.24 OC1=CC2=C(C=C1)CCNC2 S11181 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Y13231 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.24 OC1=CC2=C(C=C1)COCC2 N13209 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P16674 [0,1,0,1,0,0|1,0,0]=3 1155 B12R2.24 OC1=CC2=C(C=C1)OCCC2 N12986 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.24 OC1=CC2=C(C=C1)OCCN2 C74348 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,1,0,0|1,0,0]=3 1158 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,1,0,0|1,0,0]=3 1159 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 91615 [0,1,0,1,0,0|1,0,1]=4 1161 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 26557 [0,1,0,1,0,0|1,0,1]=4 1162 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,1,0,0|0,0,0]=2 1164 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,1,0,0|0,0,0]=2 1165 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,1,0,0|0,1,0]=3 1166 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,1,0,0|0,1,0]=3 1167 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,1,0,0|0,1,0]=3 1168 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,1,0,0|1,0,0]=3 1169 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,1,0,0|1,1,0]=4 1170 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,1,0,0|1,0,1]=4 1171 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,1,0,0|1,0,1]=4 1172 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|1,0,0]=3 1173 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|1,0,0]=3 1174 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|2,0,0]=4 1175 B12R2.612 CC1=NC=C2C(=C1)CC[C@@H]2N 66134 [0,1,0,1,0,0|2,0,0]=4 1176 B12R2.612 CN1CCC2=CC(Br)=CN=C21 S10257 [0,1,0,1,0,0|1,0,0]=3 1177 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 F15530 [0,1,0,1,0,0|2,0,0]=4 1178 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,1,0,0|0,0,0]=2 1179 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,1,0,0|0,0,0]=2 1180 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,1,0,0|0,0,0]=2 1181 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,1,0,0|0,0,0]=2 1182 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,1,0,0|0,0,0]=2 1183 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,1,0,0|0,1,0]=3 1184 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,1,0,0|0,1,0]=3 1185 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,1,0,0|0,1,0]=3 1186 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,1,0,0|0,1,0]=3 1187 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,1,0,0|0,1,0]=3 1188 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,1,0,0|0,1,0]=3 1189 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,1,0,0|0,1,0]=3 1190 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|1,0,0]=3 1191 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 67309 [0,1,0,1,0,0|0,0,0]=2 1192 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 Y10223 [0,1,0,1,0,0|0,0,0]=2 1193 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,1,0,1,0,0|0,1,0]=3 1194 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,1,0,1,0,0|0,1,0]=3 1195 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,1,0,1,0,0|0,1,0]=3 1196 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,1,0,0|1,1,0]=4 1197 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,1,0,0|2,0,0]=4 1198 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|1,0,1]=4 1199 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,1,0,0|1,0,0]=3 1200 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,1,0,0|1,0,0]=3 1201 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,1,0,1,0,0|2,0,0]=4 1202 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,1,0,1,0,0|1,0,0]=3 1203 B12R2.1286 BrC1=CC(OC2CC2)=CC=C1 AT13863 [0,1,0,1,0,0|1,0,0]=3 1204 B12R2.1286 BrC1=CC(OC2CC2)=NC=C1 D71925 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.1286 BrC1=NC=CC(NC2CC2)=C1 79340 [0,1,0,1,0,0|2,0,0]=4 1206 B12R2.1286 BrC1=NC=CC(OC2CC2)=C1 D83921 [0,1,0,1,0,0|2,0,0]=4 1207 B12R2.246 BrC1=CC(Br)=C2NN=CC2=C1 O11329 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.246 BrC1=CC(I)=C2NN=CC2=C1 O11385 [0,1,0,1,0,0|1,0,1]=4 1209 B12R2.246 CC1=C2NC=CC2=CC(Br)=C1 C73012 [0,1,0,1,0,0|0,0,2]=4 1210 B12R2.246 CC1=C2NC=NC2=CC(Br)=C1 72512 [0,1,0,1,0,0|1,0,1]=4 1211 B12R2.246 CC1=CC(N)=C2CCCC2=C1 Y11353 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.246 CC1=CC(N)=C2CCCC2=C1 Y11354 [0,1,0,1,0,0|2,0,0]=4 1213 B12R2.246 CC1=CC(N)=C2NCCC2=C1 P19646 [0,1,0,1,0,0|1,0,0]=3 1214 B12R2.246 ClC1=C2NC=CC2=CC(Br)=C1 P10253 [0,1,0,1,0,0|0,0,2]=4 1215 B12R2.246 ClC1=CC(Br)=C2NC=CC2=C1 35939 [0,1,0,1,0,0|0,0,2]=4 1216 B12R2.246 ClC1=CC(Br)=C2NN=NC2=C1 C10723 [0,1,0,1,0,0|2,0,0]=4 1217 B12R2.246 FC1=C2CNCC2=CC(Br)=C1 O11549 [0,1,0,1,0,0|2,0,0]=4 1218 B12R2.246 FC1=C2NC=NC2=CC(Br)=C1 CL3523 [0,1,0,1,0,0|1,0,1]=4 1219 B12R2.246 FC1=C2NN=CC2=CC(Br)=C1 P12342 [0,1,0,1,0,0|1,0,1]=4 1220 B12R2.246 FC1=CC(Br)=C2NN=CC2=C1 P16158 [0,1,0,1,0,0|1,0,1]=4 1221 B12R2.246 NC1=C2NCCC2=CC(F)=C1 P19647 [0,1,0,1,0,0|0,1,0]=3 1222 B12R2.246 OC1=CC(Br)=C2NN=CC2=C1 P16156 [0,1,0,1,0,0|1,0,1]=4 1223 B12R2.2294 FC1=CC(C2CC2)=CC(Br)=C1 C72239 [0,1,0,1,0,0|1,0,0]=3 1224 B12R2.606 CC1=CC2=C(C=C1)N[C@@H](C)C2 D78738 [0,1,0,1,0,0|1,0,0]=3 1225 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,1,0,1,0,0|1,0,0]=3 1226 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 C76645 [0,1,0,1,0,0|0,1,0]=3 1227 B12R2.606 NC1=CC2=C(C=C(Br)C=C2)S1 AT12832 [0,1,0,1,0,0|1,0,1]=4 1228 B12R2.606 NC1=CC2=C(C=CC(Br)=C2)S1 37561 [0,1,0,1,0,0|0,0,2]=4 1229 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 29673 [0,1,0,1,0,0|1,0,1]=4 1230 B12R2.606 NC1=NC2=C(C=CC(Br)=C2)N1 F31179 [0,1,0,1,0,0|1,0,1]=4 1231 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 AT10840 [0,1,0,1,0,0|0,0,0]=2 1232 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)C1 26376 [0,1,0,1,0,0|1,0,1]=4 1233 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)O1 D78722 [0,1,0,1,0,0|1,0,1]=4 1234 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 37498 [0,1,0,1,0,0|1,0,1]=4 1235 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 38150 [0,1,0,1,0,0|1,0,1]=4 1236 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)N1 C10561 [0,1,0,1,0,0|1,0,1]=4 1237 B12R2.221 BrC1=C2C=CNC2=C(Br)C=C1 75988 [0,1,0,1,0,0|0,0,2]=4 1238 B12R2.221 BrC1=C2N=CNC2=C(Br)C=C1 F20260 [0,1,0,1,0,0|1,0,1]=4 1239 B12R2.221 CC1=C2C=CNC2=C(Br)C=C1 90300 [0,1,0,1,0,0|0,0,2]=4 1240 B12R2.221 CC1=C2C=NNC2=C(Br)C=C1 78647 [0,1,0,1,0,0|1,0,1]=4 1241 B12R2.221 CC1=C2CCNC2=C(N)C=C1 P20143 [0,1,0,1,0,0|1,0,0]=3 1242 B12R2.221 ClC1=C2C=CNC2=C(Br)C=C1 90317 [0,1,0,1,0,0|0,0,2]=4 1243 B12R2.221 FC1=C2C=NNC2=C(Br)C=C1 F11147 [0,1,0,1,0,0|1,0,1]=4 1244 B12R2.221 NC1=C2NCCC2=C(Br)C=C1 P20138 [0,1,0,1,0,0|1,0,0]=3 1245 B12R2.221 NC1=C2NCCC2=C(F)C=C1 P20145 [0,1,0,1,0,0|1,0,0]=3 1246 B12R2.221 O=C1C=CC(Br)=C2CCCN12 D84887 [0,1,0,1,0,0|2,0,0]=4 1247 B12R2.221 OC1=C2OCOC2=C(Br)C=C1 91391 [0,1,0,1,0,0|2,0,0]=4 1248 B12R2.1316 NC1=NC=C(Br)C=C1C2CC2 92680 [0,1,0,1,0,0|2,0,0]=4 1249 B12R2.43 CNC1=CC(C2CC2)=CC=C1 D81625 [0,1,0,1,0,0|2,0,0]=4 1250 B12R2.43 N#CC1=CC=CC([C@@H]2CO2)=C1 W15969 [0,1,0,1,0,0|2,0,0]=4 1251 B12R2.43 O=CC1=CC(C2CC2)=CC=C1 51962 [0,1,0,1,0,0|2,0,0]=4 1252 B12R2.43 OCC1=CC(C2CC2)=CC=C1 39501 [0,1,0,1,0,0|2,0,0]=4 1253 B12R2.44 COC1=CN=C2NCCC2=C1 P20217 [0,1,0,1,0,0|2,0,0]=4 1254 B12R2.44 COC1=NC=C2NCCC2=C1 O11462 [0,1,0,1,0,0|2,0,0]=4 1255 B12R2.44 N#CC1=CC2=C(C=C1)NCC2 29812 [0,1,0,1,0,0|1,0,0]=3 1256 B12R2.44 N#CC1=CN=C2NCCC2=C1 P20983 [0,1,0,1,0,0|2,0,0]=4 1257 B12R2.44 NCC1=CC2=C(C=C1)CCC2 W11761 [0,1,0,1,0,0|2,0,0]=4 1258 B12R2.44 NCC1=CC2=C(C=C1)CCC2 Y11717 [0,1,0,1,0,0|2,0,0]=4 1259 B12R2.44 NCC1=CC2=C(C=C1)NCC2 W19193 [0,1,0,1,0,0|1,0,0]=3 1260 B12R2.315 BrCC1=C2OCOC2=CC=C1 27400 [0,1,0,1,0,0|2,0,0]=4 1261 B12R2.315 N#CC1=C2NCCC2=CC=C1 59518 [0,1,0,1,0,0|1,0,0]=3 1262 B12R2.315 OCC1=C2OCCC2=CC=C1 30245 [0,1,0,1,0,0|2,0,0]=4 1263 B12R2.100 BrC1=C(Br)C=C2NC=CC2=C1 C76753 [0,1,0,1,0,0|0,0,2]=4 1264 B12R2.100 BrC1=C(Br)C=C2NC=NC2=C1 C76380 [0,1,0,1,0,0|1,0,1]=4 1265 B12R2.100 BrC1=C(I)C=C2NC=CC2=C1 I11414 [0,1,0,1,0,0|0,0,2]=4 1266 B12R2.100 FC1=C(Br)C=C2C=CNC2=C1 79642 [0,1,0,1,0,0|0,0,2]=4 1267 B12R2.100 FC1=C(Br)C=C2C=NNC2=C1 50616 [0,1,0,1,0,0|1,0,1]=4 1268 B12R2.100 FC1=C(Br)C=C2CCCC2=C1 Y13363 [0,1,0,1,0,0|1,0,0]=3 1269 B12R2.100 FC1=C(Br)C=C2CCNC2=C1 C72478 [0,1,0,1,0,0|0,0,0]=2 1270 B12R2.100 FC1=C(F)C=C2NCCC2=C1 35989 [0,1,0,1,0,0|0,1,0]=3 1271 B12R2.100 NC1=C(Br)C=C2C=CNC2=C1 C76857 [0,1,0,1,0,0|0,0,2]=4 1272 B12R2.100 NC1=C(Br)C=C2C=NNC2=C1 73846 [0,1,0,1,0,0|1,0,1]=4 1273 B12R2.100 OC1=C(Br)C=C2C=NNC2=C1 I10238 [0,1,0,1,0,0|1,0,1]=4 1274 B12R2.100 OC1=C(Br)C=C2CCCC2=C1 C74651 [0,1,0,1,0,0|1,0,0]=3 1275 B12R2.100 OC1=C(Br)C=C2OCOC2=C1 T71241 [0,1,0,1,0,0|2,0,0]=4 1276 B12R2.291 ClC1=C(Cl)C=C([C@@H]2CO2)C=C1 60326 [0,1,0,1,0,0|1,1,0]=4 1277 B12R2.291 FC1=C(F)C=C(C2CC2)C=C1 W15099 [0,1,0,1,0,0|1,1,0]=4 1278 B12R2.291 FC1=C(F)C=C([C@@H]2CO2)C=C1 AC1386 [0,1,0,1,0,0|1,1,0]=4 1279 B12R2.291 FC1=C(F)C=C([C@@H]2CO2)C=C1 D72085 [0,1,0,1,0,0|1,1,0]=4 1280 B12R2.291 FC1=C(I)C=CC(C2CC2)=C1 96635 [0,1,0,1,0,0|1,1,0]=4 1281 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,1,0|2,0,0]=4 1282 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,1,0|2,0,0]=4 1283 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [1,0,0,0,1,0|1,1,0]=4 1284 B8R1.1 NCC1=CC=C(Br)S1 P15264 [1,0,0,0,1,0|1,0,0]=3 1285 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [1,0,0,0,1,0|1,1,0]=4 1286 B8R1.1 NCC1=CN=C(Br)S1 C13963 [1,0,0,0,1,0|2,0,0]=4 1287 B8R1.1 NCC1=CN=C(Br)S1 S11077 [1,0,0,0,1,0|2,0,0]=4 1288 B8R1.1 NCC1=CSC(Br)=C1 P11133 [1,0,0,0,1,0|1,0,0]=3 1289 B8R1.1 NCC1=NC(Br)=CS1 22984 [1,0,0,0,1,0|2,0,0]=4 1290 B8R1.1 NCC1=NC(Br)=CS1 68978 [1,0,0,0,1,0|2,0,0]=4 1291 B8R1.1 NCC1=NC=C(Br)S1 37716 [1,0,0,0,1,0|2,0,0]=4 1292 B8R1.11 CCC1=NNC=C1Br 98406 [1,0,0,0,1,0|2,0,0]=4 1293 B8R1.11 CCN1C=CN=C1Br AT15593 [1,0,0,0,1,0|2,0,0]=4 1294 B8R1.11 CN1C=CC=C1CN 88916 [1,0,0,0,1,0|2,0,0]=4 1295 B8R1.11 NCC1=C(Cl)C=CS1 38405 [1,0,0,0,1,0|1,1,0]=4 1296 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,0,1,0|2,0,0]=4 1297 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,1,0|1,0,0]=3 1298 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,1,0|1,0,0]=3 1299 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,0,1,0|1,0,0]=3 1300 B8R1.8 NCCC1=NC=CN1 F18351 [1,0,0,0,1,0|2,0,0]=4 1301 B8R1.8 NCCC1=NC=CS1 70863 [1,0,0,0,1,0|2,0,0]=4 1302 B8R1.8 NCCC1=NNC=C1 AC1362 [1,0,0,0,1,0|2,0,0]=4 1303 B8R1.8 NCCN1C=CC=N1 28356 [1,0,0,0,1,0|2,0,0]=4 1304 B8R1.8 NCCN1C=CN=C1 30762 [1,0,0,0,1,0|2,0,0]=4 1305 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,1,0|2,0,0]=4 1306 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,1,0|2,0,0]=4 1307 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,1,0|2,0,0]=4