0 B11R1.40 CCC(=O)CC1=CC=CC=C1 75226 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CCC(=O)OC1=CC=CC=C1 C13913 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 D94692 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 CN[C@@H](C)CC1=NC=CC=C1 D82185 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.40 COC(=O)CC1=CC=CC=C1 D77850 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.40 COC(=O)CC1=CC=NC=C1 28936 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 COC(=O)CC1=CN=CC=C1 AB11862 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 COC(=O)CC1=NC=CC=C1 63412 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 COC(=O)NC1=CC=CC=C1 D70137 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 COC(=O)OC1=CC=CC=C1 D71100 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.40 C[C@@H](CN)OC1=CN=CC=C1 AR3797 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 F17120 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.40 C[C@H](CO)CC1=CC=CC=C1 D86956 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.40 C\C(=C/C1=CC=CC=C1)CO W13161 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 47226 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.40 N=C(CC1=CC=CC=C1)NO S10392 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR3947 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.40 NNC(=O)CC1=CC=CC=C1 AC1644 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 D81925 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 NNC(=O)NC1=CC=CC=C1 D91930 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.40 NNC(=S)NC1=CC=CC=C1 D91931 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26243 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 26245 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 F10667 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.40 N\C(CC1=CC=CC=C1)=N\O W10704 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.17 BrCCCC1=CC=CC=C1 D78162 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 BrCCOC1=CC=CC=C1 73688 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 BrCCSC1=CC=CC=C1 D88892 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 C#CCCC1=CC=CC=C1 D74342 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.17 C#CCOC1=CC=CC=C1 F21383 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 C=CCNC1=CC=CC=C1 D88344 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 C=CCOC1=CC=CC=C1 D77750 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 C=CCSC1=CC=CC=C1 S12094 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 C=COCC1=CC=CC=C1 P11489 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 CCCCC1=CC=CC=C1 H11923 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.17 CCCCC1=CC=CN=C1 F20500 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.17 CCCC[N+]1=CC=CC=C1 C93409 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.17 CCCC[N+]1=CC=CC=C1 C93435 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.17 CCCC[N+]1=CC=CC=C1 C93442 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 CCCC[N+]1=CC=CC=C1 C93518 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 CCCNC1=CC=CC=C1 D91987 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CCNCC1=CC=CN=C1 30943 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 CCNCC1=CC=NC=C1 12139 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.17 CCNCC1=NC=CC=C1 29981 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 CCOCC1=CC=CC=C1 F30115 [1,0,0,0,0,0|2,0,0]=3 45 B10R1.17 CNCCC1=CC=CC=C1 AR1058 [1,0,0,0,0,0|0,0,0]=1 46 B10R1.17 CNCCC1=CC=NC=C1 64165 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.17 CNCCC1=CC=NC=C1 AR3935 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.17 CNCCC1=NC=CC=C1 23018 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.17 CNCCC1=NC=CC=C1 AR1013 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.17 CNCCC1=NC=CC=C1 D87714 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.17 COCSC1=CC=CC=C1 D91464 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 ClCCCC1=CC=CC=C1 S12344 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 ClCCOC1=CC=CC=C1 74955 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 ClCCSC1=CC=CC=C1 C10874 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 ClCOCC1=CC=CC=C1 76478 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 ClCSCC1=CC=CC=C1 D88878 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 N#CCCC1=CC=CC=C1 D91984 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 N#CCNC1=CC=CC=C1 H12014 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 N#CCOC1=CC=CC=C1 29593 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 N#CCSC1=CC=CC=C1 D92138 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 NCCCC1=CC=CC=C1 S10208 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.17 NCCCC1=NC=CC=C1 70884 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 NCCNC1=CC=CC=C1 AC8789 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 NCCOC1=CC=CC=C1 33388 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 O=C=NCC1=CC=CC=C1 D91149 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 O=CCCC1=CC=CC=C1 C10629 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.17 O=CNCC1=CC=CC=C1 D72481 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 O=COCC1=CC=CC=C1 D70183 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 OCCCC1=CC=CC=C1 AC1807 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.17 OCCCC1=CC=NC=C1 65430 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.17 OCCCC1=CN=CC=C1 D84150 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 OCCCC1=NC=CC=C1 31622 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 OCCCC1=NC=CC=C1 38162 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.17 OCCNC1=CC=CC=C1 D70504 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 OCCSC1=CC=CC=C1 D83749 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 S=C=NCC1=CC=CC=C1 F16583 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.18 CC(=O)CC1=CC=NC=C1 32302 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.18 CC(=O)CC1=CC=NC=C1 65526 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.18 CC(=O)CC1=NC=CC=C1 65544 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 D88335 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.18 CC(=O)OC1=CC=CC=C1 D88203 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.18 CC(=O)SC1=CC=CC=C1 H12050 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.18 CC(=S)NC1=CC=CC=C1 81311 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.18 CC(C)=CC1=CC=CC=C1 W16227 [1,0,0,0,0,0|0,0,2]=3 85 B10R1.18 CC(C)NC1=CC=CC=C1 D70367 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.18 CC(C)OC1=CC=CC=C1 I10258 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.18 CC(C)OC1=CN=CC=C1 N10666 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.18 CC(C)OC1=NC=CC=C1 D82294 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.18 C[C@H](O)CC1=CC=CC=C1 D71014 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.18 C[Si](C)CC1=CC=CC=C1 D89172 [1,0,0,0,0,0|0,1,0]=2 91 B10R1.18 ClC(Cl)[SiH2]C1=CC=CC=C1 D97657 [1,0,0,0,0,0|2,1,0]=4 92 B10R1.18 FC(F)OC1=CC=CC=C1 I10218 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.18 N=C(N)NC1=CC=CC=C1 71104 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.18 N=C(N)NC1=CC=CC=C1 A11453 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.18 NC(=O)CC1=CC=CC=C1 20020 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.18 NC(=O)CC1=CN=CC=C1 F30204 [1,0,0,0,0,0|2,0,1]=4 97 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 D87783 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.18 NC(=O)NC1=CC=CC=C1 C11241 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.18 NC(=O)OC1=CC=CC=C1 81483 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.18 O=C(Cl)CC1=CC=CC=C1 S11991 [1,0,0,0,0,0|2,0,1]=4 101 B10R1.18 O=C(O)CC1=CC=CC=C1 A12791 [1,0,0,0,0,0|2,0,1]=4 102 B12R1.32 CCCC(=O)CC1=CC=CC=C1 F19922 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.32 CCNC(=O)OC1=CC=CC=C1 D92920 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.32 CCOC(=O)CC1=CC=CC=C1 D77783 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.32 CN(CC#N)CC1=CC=CC=C1 AB6232 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.32 CN(CCN)CC1=CC=CC=C1 65355 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.32 CN(CCO)CC1=CC=CC=C1 D70360 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.34 COC(=O)[C@H](Br)C1=CC=CC=C1 S12168 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W13540 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.34 COC(=O)[C@H](Cl)C1=CC=CC=C1 D81981 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 39409 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 E70004 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 F14561 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 D70330 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1304 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 FD1307 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 AB11569 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 32680 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 D94755 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 D83494 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 65146 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O AR3815 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.43 C[C@H](OC1=CC=CC=C1)C(N)=O AR2180 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 39405 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10543 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10920 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10983 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F11007 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 28345 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC8117 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C10470 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O D77851 [0,1,0,0,0,0|3,0,0]=4 133 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 H11389 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC1610 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1244 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 FD1250 [0,1,0,0,0,0|3,0,0]=4 137 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 85543 [0,1,0,0,0,0|1,0,1]=3 138 B12R1.49 CNC(=O)CC1=CC=C(Cl)C=C1 W12083 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 W17425 [0,1,0,0,0,0|1,0,1]=3 140 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 AB3932 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 76662 [0,1,0,0,0,0|2,0,1]=4 142 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 76653 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 AB7526 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 AC6509 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 50001 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 AB7450 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 35758 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.49 N=C(CC1=CC=C(Br)C=C1)NO D83600 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 W10668 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 24102 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 W10662 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 D95165 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C10910 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 D97455 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 35769 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CL8810 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 AB3965 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 AB3931 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 AB9674 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 22081 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 P16659 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.118 CCN(CC)CC1=CC=CC=C1 D72507 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.194 CC[C@](C)(O)CC1=CC=CC=C1 D91562 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 AB3930 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 D74700 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 29411 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.371 COC(=O)CC1=C(F)C=CC=C1 AB7523 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 A10071 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.371 C[C@@H](CN)OC1=C(Cl)C=CC=C1 AR3812 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 D70921 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 D97532 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N10848 [0,1,0,0,0,0|3,0,0]=4 173 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 F12404 [0,0,0,1,0,0|2,0,1]=4 174 B12R2.18 CC1=CC2=C(C=CC=C2)N1C 54477 [0,0,0,1,0,0|0,0,2]=3 175 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 79476 [0,0,0,1,0,0|1,0,1]=3 176 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 P15308 [0,0,0,1,0,0|2,0,1]=4 177 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 W11509 [0,0,0,1,0,0|2,0,1]=4 178 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 D70456 [0,0,0,1,0,0|2,0,1]=4 179 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64264 [0,0,0,1,0,0|1,0,2]=4 180 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 51894 [0,0,0,1,0,0|2,0,1]=4 181 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O 75581 [0,0,0,1,0,0|2,0,0]=3 182 B12R2.18 C[C@H]1CC2=C(C=CC=C2)N1N D97185 [0,0,0,1,0,0|1,0,0]=2 183 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20134 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O 20142 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O P15222 [0,0,0,1,0,0|3,0,0]=4 186 B12R2.18 OC1C2=C(C=CC=C2)CC1Br A10217 [0,0,0,1,0,0|3,0,0]=4 187 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br 31137 [0,0,0,1,0,0|3,0,0]=4 188 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 AC1627 [0,0,0,1,0,0|2,0,0]=3 189 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)S1 72290 [0,0,0,1,0,0|3,0,0]=4 190 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20327 [0,0,0,1,0,0|3,0,0]=4 191 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 20236 [0,0,0,1,0,0|2,0,0]=3 192 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 71053 [0,0,0,1,0,0|2,0,1]=4 193 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 22566 [0,0,0,1,0,0|2,0,1]=4 194 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 94674 [0,0,0,1,0,0|2,0,0]=3 195 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 26661 [0,0,0,1,0,0|2,0,1]=4 196 B12R2.32 CNC1CC2=C(C=CC=C2)C1 A11850 [0,0,0,1,0,0|0,0,0]=1 197 B12R2.32 OCC1CC2=C(C=CC=C2)C1 83148 [0,0,0,1,0,0|2,0,0]=3 198 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 D86143 [0,0,0,1,0,0|1,0,2]=4 199 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 38693 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.15 BrC[C@H](Br)C1=CC=CC=C1 D89942 [0,0,0,0,1,0|3,0,0]=4 201 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 AC1347 [0,0,0,0,1,0|2,0,1]=4 202 B10R1.15 CC[C@H](N)C1=CC=CC=C1 A11524 [0,0,0,0,1,0|2,0,0]=3 203 B10R1.15 CC[C@H](N)C1=CC=CC=C1 F11436 [0,0,0,0,1,0|2,0,0]=3 204 B10R1.15 CC[C@H](N)C1=CC=CN=C1 30679 [0,0,0,0,1,0|3,0,0]=4 205 B10R1.15 CC[C@H](N)C1=NC=CC=C1 D80730 [0,0,0,0,1,0|3,0,0]=4 206 B10R1.15 CC[C@H](O)C1=CC=CC=C1 S11247 [0,0,0,0,1,0|2,0,0]=3 207 B10R1.15 CN(N=O)C1=CC=CC=C1 F16699 [0,0,0,0,1,0|2,0,1]=4 208 B10R1.15 CNC(=O)C1=CC=CC=C1 F16588 [0,0,0,0,1,0|1,0,1]=3 209 B10R1.15 CNC(=O)C1=CN=CC=C1 D82023 [0,0,0,0,1,0|2,0,1]=4 210 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 30941 [0,0,0,0,1,0|0,0,0]=1 211 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 D82152 [0,0,0,0,1,0|0,0,0]=1 212 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 N12133 [0,0,0,0,1,0|0,0,0]=1 213 B10R1.15 COC(=N)C1=CC=CC=C1 77505 [0,0,0,0,1,0|2,0,1]=4 214 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 N11940 [0,0,0,0,1,0|3,0,0]=4 215 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 H11244 [0,0,0,0,1,0|2,0,0]=3 216 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 23817 [0,0,0,0,1,0|2,0,0]=3 217 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 28511 [0,0,0,0,1,0|2,0,0]=3 218 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 65652 [0,0,0,0,1,0|2,0,0]=3 219 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 AC1145 [0,0,0,0,1,0|2,0,0]=3 220 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 F13480 [0,0,0,0,1,0|2,0,0]=3 221 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 F13479 [0,0,0,0,1,0|2,0,0]=3 222 B10R1.15 C\C(=N/O)C1=CC=CC=C1 D81769 [0,0,0,0,1,0|1,0,2]=4 223 B10R1.15 N#C[C@@H](Br)C1=CC=CC=C1 26499 [0,0,0,0,1,0|3,0,0]=4 224 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11982 [0,0,0,0,1,0|3,0,0]=4 225 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 A11559 [0,0,0,0,1,0|3,0,0]=4 226 B10R1.15 NC[C@H](O)C1=CC=CC=C1 52103 [0,0,0,0,1,0|3,0,0]=4 227 B10R1.15 NC[C@H](O)C1=CC=CC=C1 66448 [0,0,0,0,1,0|3,0,0]=4 228 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1187 [0,0,0,0,1,0|3,0,0]=4 229 B10R1.15 NC[C@H](O)C1=CC=CC=C1 FD1190 [0,0,0,0,1,0|3,0,0]=4 230 B10R1.15 NNC(=O)C1=CC=CC=C1 43809 [0,0,0,0,1,0|2,0,1]=4 231 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 29543 [0,0,0,0,1,0|3,0,0]=4 232 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 29545 [0,0,0,0,1,0|3,0,0]=4 233 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 39463 [0,0,0,0,1,0|3,0,0]=4 234 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 O10643 [0,0,0,0,1,0|3,0,0]=4 235 B10R1.15 O=C(NO)C1=CC=CC=C1 D70179 [0,0,0,0,1,0|2,0,1]=4 236 B10R1.15 O=C(N[O-])C1=CC=CC=C1 D88606 [0,0,0,0,1,0|2,0,1]=4 237 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD10472 [0,0,0,0,1,0|3,0,0]=4 238 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD1181 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.15 OC[C@H](O)C1=CC=CC=C1 FD1184 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 34752 [0,0,0,0,1,0|3,0,0]=4 241 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 D83182 [0,0,0,0,1,0|3,0,0]=4 242 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 D89568 [0,0,0,0,1,0|3,0,0]=4 243 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [0,0,0,0,0,1|2,0,1]=4 244 B12R1.27 COC(=O)COC1=CC=CC=C1 D70332 [0,0,0,0,0,1|2,0,1]=4 245 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 79303 [0,0,0,0,0,1|2,0,0]=3 246 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 W12270 [0,0,0,0,0,1|2,0,0]=3 247 B12R1.27 NNC(=O)CCC1=CC=CC=C1 W15768 [0,0,0,0,0,1|2,0,1]=4 248 B12R1.27 NNC(=O)COC1=CC=CC=C1 D84136 [0,0,0,0,0,1|2,0,1]=4 249 B12R1.27 NNC(=O)OCC1=CC=CC=C1 C93486 [0,0,0,0,0,1|2,0,1]=4 250 B12R1.27 NNC(=S)NCC1=CC=CC=C1 32936 [0,0,0,0,0,1|2,0,1]=4 251 B12R1.27 O=C(NO)OCC1=CC=CC=C1 70490 [0,0,0,0,0,1|2,0,1]=4 252 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 D92114 [0,0,0,0,0,1|3,0,0]=4 253 B9R0.45 CCCC\C=C\C=C\C=O D91726 [1,0,1,0,0,0|2,0,0]=4 254 B9R1.8 BrCCC1=CC=CC=C1 S12296 [2,0,0,0,0,0|1,0,0]=3 255 B9R1.8 BrCCC1=NC=CC=C1 54525 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.8 C#CCC1=CC=CC=C1 A11825 [2,0,0,0,0,0|0,0,2]=4 257 B9R1.8 C=CCC1=CC=CC=C1 FD14063 [2,0,0,0,0,0|0,0,2]=4 258 B9R1.8 CC#CC1=CC=CC=C1 D71012 [2,0,0,0,0,0|0,0,2]=4 259 B9R1.8 CCCC1=CC=CC=C1 F10002 [2,0,0,0,0,0|0,0,0]=2 260 B9R1.8 CCCC1=CC=NC=C1 D86491 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.8 CCCC1=NC=CC=C1 A10924 [2,0,0,0,0,0|1,0,0]=3 262 B9R1.8 CCCC1=NC=CN=C1 D70525 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.8 CCNC1=NC=CC=C1 H11775 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.8 CCOC1=CC=CC=C1 D78866 [2,0,0,0,0,0|1,0,0]=3 265 B9R1.8 CCOC1=NC=CC=C1 28909 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.8 CCSC1=CC=CC=C1 H10383 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.8 CNCC1=CC=CC=C1 AR1001 [2,0,0,0,0,0|0,0,0]=2 268 B9R1.8 CNCC1=CC=CN=C1 28981 [2,0,0,0,0,0|1,0,0]=3 269 B9R1.8 CNCC1=CC=CN=C1 AR1268 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.8 CNCC1=CC=NC=C1 30756 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.8 CNCC1=NC=CC=C1 29930 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.8 CNCC1=NC=CC=C1 AR1010 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.8 COCC1=CC=CC=C1 D88644 [2,0,0,0,0,0|1,0,0]=3 274 B9R1.8 COCC1=NC=CC=C1 23564 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.8 C\N=C\C1=CC=CC=C1 D94771 [2,0,0,0,0,0|0,0,2]=4 276 B9R1.8 ClCCC1=CC=CC=C1 D70839 [2,0,0,0,0,0|1,0,0]=3 277 B9R1.8 ClCSC1=CC=CC=C1 D89325 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.8 ICCC1=CC=CC=C1 D70924 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.8 NCCC1=CC=CC=C1 D78532 [2,0,0,0,0,0|0,0,0]=2 280 B9R1.8 NCCC1=CC=CN=C1 51507 [2,0,0,0,0,0|1,0,0]=3 281 B9R1.8 NCCC1=CC=CN=C1 51508 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.8 NCCC1=CC=NC=C1 51916 [2,0,0,0,0,0|1,0,0]=3 283 B9R1.8 NCCC1=CC=NC=C1 N12034 [2,0,0,0,0,0|1,0,0]=3 284 B9R1.8 NCCC1=NC=CC=C1 AB1583 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.8 NNCC1=CC=CC=C1 53542 [2,0,0,0,0,0|1,0,0]=3 286 B9R1.8 NNCC1=CC=CC=C1 53594 [2,0,0,0,0,0|1,0,0]=3 287 B9R1.8 NNCC1=CC=CC=C1 78678 [2,0,0,0,0,0|1,0,0]=3 288 B9R1.8 NNCC1=CC=CN=C1 37010 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.8 NNCC1=CC=CN=C1 71680 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.8 NNCC1=NC=CC=C1 37011 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.8 NOCC1=CC=CC=C1 54239 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.8 NOCC1=CC=CC=C1 N10409 [2,0,0,0,0,0|1,0,0]=3 293 B9R1.8 O=CCC1=CC=CC=C1 D78329 [2,0,0,0,0,0|1,0,1]=4 294 B9R1.8 OCCC1=CC=CC=C1 D70868 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.8 OCCC1=CC=NC=C1 27360 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.8 OCCC1=CN=CC=C1 29643 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.8 OCCC1=NC=CC=C1 D70485 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.8 ONCC1=CC=CC=C1 23229 [2,0,0,0,0,0|1,0,0]=3 299 B9R1.8 ONCC1=CC=CC=C1 70488 [2,0,0,0,0,0|1,0,0]=3 300 B9R1.8 SCCC1=CC=CC=C1 AC9387 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.8 SCCC1=CC=NC=C1 H11399 [2,0,0,0,0,0|2,0,0]=4 302 B11R1.1 BrCCCC1=CC=C(Br)C=C1 AB12305 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.1 CCCCC1=CC=C(Br)C=C1 28617 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.1 CCCCC1=CC=C(Cl)C=C1 D88987 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.1 CCCCC1=CC=C(I)C=C1 O10393 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.1 CCCCC1=CC=C(O)C=C1 D88733 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 A51103 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 C93467 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 C93476 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 S11229 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.1 CCCOC1=CC=C(Br)C=C1 AC8402 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.1 CCCOC1=CC=C(O)C=C1 D70163 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.1 CCNCC1=CC=C(Br)C=C1 30536 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.1 CCNCC1=CC=C(Cl)C=C1 30537 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.1 CCNCC1=CC=C(F)C=C1 31187 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.1 CCOCC1=CC=C(F)C=C1 I12057 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.1 CNCCC1=CC=C(O)C=C1 W16881 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.1 COCCC1=CC=C(O)C=C1 F11255 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.1 COCOC1=CC=C(Br)C=C1 29154 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.1 COCOC1=CC=C(O)C=C1 D93617 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.1 CONCC1=CC=C(Cl)C=C1 D80709 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.1 ClCCCC1=CC=C(Br)C=C1 C13894 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 S10875 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 F16130 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.1 NCCCC1=CC=C(Cl)C=C1 F20044 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.1 O=CCCC1=CC=C(F)C=C1 CL8850 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.1 OCCCC1=CC=C(Br)C=C1 AB3206 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.1 OCCCC1=CC=C(Cl)C=C1 W10512 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.1 OCCCC1=CC=C(F)C=C1 AB3825 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.1 OCCCC1=CC=C(O)C=C1 FD10610 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 D92112 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.16 CCC[C@H](O)C1=CC=CC=C1 D81704 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.16 ClCC[C@H](Br)C1=CC=CC=C1 AB10338 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 20164 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 AB10355 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 D83101 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65209 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65210 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 D80419 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58104 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58184 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 58185 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.17 CCCCC1=C(N)C=CC=C1 D88855 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.17 CCCOC1=C(N)C=CC=C1 31375 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.17 CCCOC1=C(O)C=CC=C1 D95014 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.17 CNCCC1=C(F)C=CC=C1 30544 [1,1,0,0,0,0|0,0,0]=2 347 B11R1.17 N#CCCC1=C(Cl)C=CC=C1 D84144 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.17 O=CCCC1=C(F)C=CC=C1 CL8848 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.17 OCCCC1=C(Br)C=CC=C1 AB3204 [1,1,0,0,0,0|2,0,0]=4 350 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93457 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 D93268 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 D95727 [1,1,0,0,0,0|2,0,0]=4 353 B11R1.24 CCNCC1=CC=CC(Br)=C1 29353 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.24 CCNCC1=CC=CC(Cl)=C1 78306 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.24 CCNCC1=CC=CC(Cl)=C1 N10024 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.24 CCNCC1=CC=CC(F)=C1 29329 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.24 CNCCC1=CC=CC(Cl)=C1 29813 [1,1,0,0,0,0|0,0,0]=2 358 B11R1.24 CNCCC1=CC=CC(F)=C1 30539 [1,1,0,0,0,0|0,0,0]=2 359 B11R1.24 COCOC1=CC(N)=CC=C1 H10442 [1,1,0,0,0,0|2,0,0]=4 360 B11R1.24 COCOC1=CC=CC(F)=C1 71969 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.24 FC1=CC=CC(CCCBr)=C1 AB8465 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 AB6892 [1,1,0,0,0,0|2,0,0]=4 363 B11R1.24 OCCCC1=CC=CC(Br)=C1 AB3205 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.24 OCCCC1=CC=CC(O)=C1 62422 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.28 BrCCCOC1=CC=CC=C1 73704 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.28 BrCCOCC1=CC=CC=C1 29418 [1,1,0,0,0,0|2,0,0]=4 368 B11R1.28 C#CCOCC1=CC=CC=C1 H11649 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.28 C=CCNCC1=CC=CC=C1 51314 [1,1,0,0,0,0|1,0,1]=4 370 B11R1.28 C=CCNCC1=CC=CC=C1 51315 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.28 C=CCOCC1=CC=CC=C1 CS1050 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.28 CCCC#CC1=CC=CC=C1 D97343 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.28 CCCCOC1=NC=CC=C1 D88876 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [1,1,0,0,0,0|0,0,0]=2 377 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [1,1,0,0,0,0|0,0,0]=2 378 B11R1.28 CNC\C=C\C1=CC=CC=C1 A11412 [1,1,0,0,0,0|0,0,1]=3 379 B11R1.28 COCCNC1=NC=CC=C1 D94270 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.28 COCCSC1=CC=CC=C1 W18561 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.28 ClCCCCC1=CC=NC=C1 56205 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.28 ClCCNCC1=CC=CC=C1 AB2649 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.28 N#CCCNC1=CC=CC=C1 E70307 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.28 N#CCCOC1=CC=CC=C1 AB7705 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.28 N#CCOCC1=CC=CC=C1 AC3964 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.28 NCCNCC1=CC=CC=C1 20546 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.28 NCCOCC1=CC=CC=C1 CL4561 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.28 NCCOCC1=CC=CC=C1 CL4570 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.28 O=C=NCCC1=CC=CC=C1 D92144 [1,1,0,0,0,0|0,0,2]=4 392 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.28 O=CCOCC1=CC=CC=C1 35646 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.28 OCCCCC1=CC=CC=C1 70774 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.28 OCCCCC1=CC=NC=C1 30651 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.28 OCCCCC1=CN=CC=C1 32381 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.28 OCCCNC1=CC=CC=C1 D88515 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.28 OCCCOC1=CC=CC=C1 A50719 [1,1,0,0,0,0|2,0,0]=4 399 B11R1.28 OCCNCC1=CC=CC=C1 AC7917 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.28 OCCOCC1=CC=CC=C1 P17494 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.28 S=C=NCCC1=CC=CC=C1 D92051 [1,1,0,0,0,0|0,0,2]=4 402 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [1,1,0,0,0,0|2,0,0]=4 403 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.91 CC(C)NCC1=CC=CC=C1 C11247 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [1,1,0,0,0,0|0,0,0]=2 408 B11R1.91 CN(C)\N=C\C1=CC=CC=C1 D95776 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.91 C[C@H](Cl)COC1=CC=CC=C1 D91900 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [1,1,0,0,0,0|1,0,0]=3 411 B11R1.91 C[C@H](O)COC1=CC=CC=C1 D77637 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.91 OB(O)CCC1=CC=CC=C1 28933 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 CL9059 [1,1,0,0,0,0|1,0,1]=4 418 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 N11980 [1,1,0,0,0,0|1,0,1]=4 419 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 S10960 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CL9158 [1,1,0,0,0,0|1,0,1]=4 421 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 34723 [1,1,0,0,0,0|0,0,0]=2 422 B11R1.20 CC(C)CC1=CC=C(I)C=C1 D94791 [1,1,0,0,0,0|0,0,0]=2 423 B11R1.20 CC(C)CC1=CC=C(N)C=C1 N12506 [1,1,0,0,0,0|0,0,0]=2 424 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 S11834 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 Y13462 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 F11362 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.20 CC(C)OC1=CC=C(I)C=C1 D95591 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.20 CC(C)OC1=CC=C(N)C=C1 33937 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.20 CC(C)OC1=CC=C(O)C=C1 78799 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 AC1553 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 50158 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.20 CN(C)CC1=CC=C(Br)C=C1 D97623 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.20 CN(C)CC1=CC=C(N)C=C1 34677 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.20 CN(C)CC1=CC=C(O)C=C1 C80067 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.20 C[C@H](N)CC1=CC=C(F)C=C1 BL000373 [1,1,0,0,0,0|0,0,0]=2 436 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 D97484 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 84998 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 S12297 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.36 CC(=O)[C@H](Br)C1=CC=CC=C1 21510 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 D78212 [1,1,0,0,0,0|0,0,1]=3 441 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 29392 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 20155 [1,1,0,0,0,0|0,0,0]=2 443 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74149 [1,1,0,0,0,0|0,0,0]=2 444 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 N12414 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 31524 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 D70353 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C D86057 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.36 C[C@H](Cl)C(=O)C1=CC=CC=C1 D89439 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 30968 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 O10163 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 S10736 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 F17453 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 29393 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 I10164 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 N11952 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.86 CC(C)CC1=C(N)C=CC=C1 AC1619 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.86 CC(C)NC1=NC=CC=C1N C74238 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 I12061 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 77448 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.86 CC(C)OC1=C(N)C=CC=C1 36109 [1,1,0,0,0,0|1,0,0]=3 461 B11R1.86 CC(C)SC1=C(N)C=CC=C1 75275 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.86 CC(C)SC1=C(N)C=CC=C1 C10475 [1,1,0,0,0,0|1,0,0]=3 463 B11R1.86 CC1=NC=CN=C1CC(C)C T71753 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.86 CN(C)CC1=C(Br)C=CC=C1 N10120 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.86 N=C(N)CC1=C(Cl)C=CC=C1 H10662 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 31430 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 CL8856 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 O10275 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F21360 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.157 CC(C)NC1=CC=CC(F)=C1 AB3774 [1,1,0,0,0,0|1,0,0]=3 471 B11R1.157 CC(C)OC1=CC(N)=CC=C1 F17045 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 F17568 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.157 CC1=CC=CC(OC(C)C)=C1 W15987 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.157 CN(C)CC1=CC(N)=CC=C1 71047 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 O10271 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.157 NC(=O)CC1=CC=CC(Br)=C1 D95102 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.509 CC(C)(C)OC1=CC=CC=C1 A10992 [1,1,0,0,0,0|1,0,0]=3 478 B11R1.509 CC(C)(O)CC1=CC=CC=C1 C11039 [1,1,0,0,0,0|0,0,0]=2 479 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 20561 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 AB10280 [1,1,0,0,0,0|1,0,0]=3 481 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D72513 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D72531 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D94731 [1,1,0,0,0,0|1,0,0]=3 484 B11R1.509 C[Si](C)(C)CC1=CC=CC=C1 D78099 [1,1,0,0,0,0|0,1,0]=3 485 B11R1.509 C[Si](C)(C)OC1=CC=CC=C1 F20397 [1,1,0,0,0,0|1,1,0]=4 486 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 D88928 [1,1,0,0,0,0|0,1,0]=3 487 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 33371 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 AC1646 [0,1,0,0,1,0|1,0,1]=4 489 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 29501 [0,1,0,0,1,0|2,0,0]=4 490 B11R1.7 CC(C)(CN)C1=CC=CC=C1 27938 [0,1,0,0,1,0|2,0,0]=4 491 B11R1.7 CC(C)(CO)C1=CC=CC=C1 AC1630 [0,1,0,0,1,0|2,0,0]=4 492 B11R1.7 CCC(C)(C)C1=CC=CC=C1 F20311 [0,1,0,0,1,0|1,0,0]=3 493 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 A10778 [0,1,0,0,1,0|2,0,0]=4 494 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 AC7803 [0,1,0,0,1,0|1,1,0]=4 495 B11R1.12 CCC(CC)C1=NC=CC=C1 D83598 [0,1,0,0,1,0|2,0,0]=4 496 B11R1.12 COB(OC)C1=CC=CC=C1 D97210 [0,1,0,0,1,0|2,0,0]=4 497 B11R1.12 COC(OC)C1=CC=CC=C1 D70174 [0,1,0,0,1,0|1,0,0]=3 498 B11R1.12 COP(OC)C1=CC=CC=C1 F17185 [0,1,0,0,1,0|2,0,0]=4 499 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 S11979 [0,1,0,0,1,0|1,0,0]=3 500 B11R1.12 OCC(CO)C1=CC=CC=C1 27706 [0,1,0,0,1,0|2,0,0]=4 501 B11R1.22 CC[C@H](C)C1=CC=C(N)C=C1 26222 [0,1,0,0,1,0|1,0,0]=3 502 B11R1.22 CC[C@H](C)C1=CC=C(O)C=C1 D95332 [0,1,0,0,1,0|1,0,0]=3 503 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 I11206 [0,1,0,0,1,0|2,0,0]=4 504 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 I11174 [0,1,0,0,1,0|2,0,0]=4 505 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y10292 [0,1,0,0,1,0|2,0,0]=4 506 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y10293 [0,1,0,0,1,0|2,0,0]=4 507 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11093 [0,1,0,0,1,0|2,0,0]=4 508 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 D80595 [0,1,0,0,1,0|2,0,0]=4 509 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 S10628 [0,1,0,0,1,0|1,0,1]=4 510 B11R1.22 CNC(=O)C1=CC=C(F)C=C1 AB11440 [0,1,0,0,1,0|1,0,1]=4 511 B11R1.22 CNC(=O)C1=CC=C(F)C=C1 CX1268 [0,1,0,0,1,0|1,0,1]=4 512 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 D76275 [0,1,0,0,1,0|1,0,1]=4 513 B11R1.22 CNC(=O)C1=CC=C(O)C=C1 AB7324 [0,1,0,0,1,0|1,0,1]=4 514 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 84992 [0,1,0,0,1,0|2,0,0]=4 515 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 51950 [0,1,0,0,1,0|1,0,1]=4 516 B11R1.23 CNC(=O)C1=CC(O)=CC=C1 AB7323 [0,1,0,0,1,0|1,0,1]=4 517 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 N10158 [0,1,0,0,1,0|1,0,1]=4 518 B11R1.23 CNC(=O)C1=CC=CC(I)=C1 D83084 [0,1,0,0,1,0|1,0,1]=4 519 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 C75736 [0,1,0,0,1,0|2,0,0]=4 520 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 N10156 [0,1,0,0,1,0|1,0,1]=4 521 B11R1.222 CNC(=O)C1=C(F)C=CC=C1 AB11438 [0,1,0,0,1,0|1,0,1]=4 522 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 33372 [0,1,0,0,1,0|1,0,1]=4 523 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 AC1616 [0,1,0,0,1,0|1,0,1]=4 524 B11R1.222 CNC(=O)C1=C(S)C=CC=C1 F12015 [0,1,0,0,1,0|1,0,1]=4 525 B11R1.222 C[C@H](C#N)C1=C(Cl)C=CC=C1 58024 [0,1,0,0,1,0|2,0,0]=4 526 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 D74105 [0,1,0,0,0,1|1,0,1]=4 527 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 F19927 [0,1,0,0,0,1|2,0,0]=4 528 B13R1.254 CC[C@](C)(O)CCC1=CC=CC=C1 D91563 [0,1,0,0,0,1|1,0,0]=3 529 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 O11694 [0,1,0,0,0,1|1,0,1]=4 530 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C10936 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O O10204 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.19 CCO[C@H](C)OC1=CC=C(Br)C=C1 C15727 [0,2,0,0,0,0|2,0,0]=4 533 B13R1.44 CNCCN(C)CC1=CC=CC=C1 56100 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.348 CC(C)C[C@H](O)CC1=CC=CC=C1 D91564 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 C76099 [0,2,0,0,0,0|1,0,1]=4 536 B13R1.148 C[C@@H](CC1=CC=CC(Br)=C1)C(=O)O W12086 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O 34331 [0,2,0,0,0,0|0,0,1]=3 538 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 59353 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O F14643 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10779 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 O10284 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.250 CC1=CC=CC(CC(C)(C)CO)=C1 D71072 [0,2,0,0,0,0|2,0,0]=4 543 B11R2.1 CN1C=CC2=C1C=CC=C2 F11257 [1,0,0,1,0,0|0,0,2]=4 544 B11R2.1 CN1C=NC2=C1C=CC=C2 F10497 [1,0,0,1,0,0|1,0,1]=4 545 B11R2.1 CN1N=NC2=C1C=CC=C2 S10077 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 36655 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41002 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67750 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67775 [1,0,0,1,0,0|2,0,0]=4 550 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 67878 [1,0,0,1,0,0|2,0,0]=4 551 B11R2.1 O=C1CCC2=C1C=CC=C2 73679 [1,0,0,1,0,0|2,0,0]=4 552 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 I10213 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.4 NC1CC1C2=CC=CC=C2 74589 [1,0,0,1,0,0|2,0,0]=4 554 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D81815 [1,0,0,1,0,0|2,0,0]=4 555 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 FD9050 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.20 C1=CC2=C(C=C1)CC=CC2 O10351 [1,0,0,1,0,0|1,0,1]=4 557 B11R2.20 C1=CC2=C(C=C1)CCC=C2 H10885 [1,0,0,1,0,0|1,0,1]=4 558 B11R2.20 C1=CC2=C(C=C1)CNCC2 66636 [1,0,0,1,0,0|0,0,0]=2 559 B11R2.20 C1=CC2=C(C=C1)CNCC2 66637 [1,0,0,1,0,0|0,0,0]=2 560 B11R2.20 C1=CC2=C(C=C1)CNNC2 31576 [1,0,0,1,0,0|1,0,0]=3 561 B11R2.20 C1=CC2=C(C=C1)COCC2 25404 [1,0,0,1,0,0|1,0,0]=3 562 B11R2.20 C1=CC2=C(C=C1)NCCC2 66632 [1,0,0,1,0,0|2,0,0]=4 563 B11R2.20 C1=CC2=C(C=C1)OCCC2 F13522 [1,0,0,1,0,0|2,0,0]=4 564 B11R2.20 C1=CC2=C(C=N1)CCCC2 67092 [1,0,0,1,0,0|2,0,0]=4 565 B11R2.20 C1=CN=C2CCCCC2=C1 66526 [1,0,0,1,0,0|2,0,0]=4 566 B11R2.20 C1=CN=C2CCNCC2=C1 SC2731 [1,0,0,1,0,0|1,0,0]=3 567 B11R2.20 C1=CN=C2CNCCC2=C1 37895 [1,0,0,1,0,0|1,0,0]=3 568 B11R2.238 C1=CC=C(NC2CC2)C=C1 D82826 [1,0,0,1,0,0|2,0,0]=4 569 B11R2.238 C1=CC=C(SC2CC2)C=C1 87296 [1,0,0,1,0,0|2,0,0]=4 570 B11R2.10 BrC1CC2=C(C=CC=C2)C1 55651 [1,0,0,1,0,0|1,0,0]=3 571 B11R2.10 CC1=CC2=C(C=CC=C2)C1 AC7927 [1,0,0,1,0,0|0,0,2]=4 572 B11R2.10 CC1=CC2=C(C=CC=C2)N1 63872 [1,0,0,1,0,0|0,0,2]=4 573 B11R2.10 CC1=NC2=C(C=CC=C2)N1 AC7835 [1,0,0,1,0,0|1,0,1]=4 574 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 D71186 [1,0,0,1,0,0|0,0,0]=2 575 B11R2.10 C[C@H]1CC2=C(C=CC=C2)O1 D89877 [1,0,0,1,0,0|1,0,0]=3 576 B11R2.10 NC1CC2=C(C=CC=C2)C1 62714 [1,0,0,1,0,0|0,0,0]=2 577 B11R2.10 O=C1CC2=C(C=CC=C2)C1 F10966 [1,0,0,1,0,0|1,0,1]=4 578 B11R2.10 O=C1CC2=C(C=CC=C2)N1 AB7349 [1,0,0,1,0,0|1,0,1]=4 579 B11R2.10 OC1CC2=C(C=CC=C2)C1 O10574 [1,0,0,1,0,0|1,0,0]=3 580 B11R2.10 S=C1CC2=C(C=CC=C2)N1 F30120 [1,0,0,1,0,0|1,0,1]=4 581 B11R2.40 NC1(C2=CC=CC=C2)CC1 28502 [0,0,0,1,1,0|2,0,0]=4 582 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS1233 [0,0,0,1,1,0|2,0,0]=4 583 B13R2.10 CC1COC(C2=CC=CC=C2)O1 D70175 [0,0,0,1,0,1|2,0,0]=4 584 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [0,0,0,1,0,1|1,0,1]=4 585 B13R2.32 CN1C(=O)COC2=C1C=CC=C2 D84259 [0,0,0,1,0,1|1,0,1]=4 586 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O H10921 [0,0,0,1,0,1|2,0,0]=4 587 B13R2.33 O=C1CNC2=C(C=CC=C2)CN1 66618 [0,0,0,1,0,1|1,0,1]=4 588 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 62832 [0,0,0,1,0,1|2,0,0]=4 589 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 FD1007 [0,0,0,1,0,1|2,0,0]=4 590 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 53756 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 FD7203 [0,1,0,1,0,0|0,0,1]=3 592 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 CL2811 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 AR1052 [0,1,0,1,0,0|0,0,0]=2 594 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 AR1412 [0,1,0,1,0,0|0,0,0]=2 595 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 A10133 [0,1,0,1,0,0|1,0,0]=3 596 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 20294 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 D84345 [0,1,0,1,0,0|0,0,2]=4 598 B13R2.135 CCN1C(C)=[SH]C2=C1C=CC=C2 D90527 [0,1,0,1,0,0|1,0,1]=4 599 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 34159 [0,1,0,1,0,0|1,0,1]=4 600 B13R2.45 CN1C(CBr)=NC2=C1C=CC=C2 34160 [0,1,0,1,0,0|1,0,1]=4 601 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 D95121 [0,1,0,1,0,0|1,0,1]=4 602 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 W10143 [0,1,0,1,0,0|1,0,1]=4 603 B13R2.3085 CC1=C(Br)C2=C(C=CC=C2)N1C 54479 [0,1,0,1,0,0|0,0,2]=4 604 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 AT10641 [0,1,0,1,0,0|1,0,1]=4 605 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P17280 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 55229 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 55235 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 71090 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.3028 CC1=NC2=C(C=C(N)C=C2)N1C D93461 [0,1,0,1,0,0|1,0,1]=4 610 B13R2.3028 CN1C(=O)CC2=C1C=C(Br)C=C2 82303 [0,1,0,1,0,0|1,0,1]=4 611 B13R2.3028 C[C@H]1CC2=C(C=C(F)C=C2)C1=O 12132 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.3683 C[C@H]1CCC2=C(C=CC(F)=C2)N1 26211 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C D75992 [0,1,0,1,0,0|0,0,2]=4 614 B13R2.5190 C[C@H]1CC2=C(C=CC(F)=C2)C1=O F16222 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.243 CC1(C)CC2=C(C=CC=C2)C1=O 51921 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.162 NC1=C2C[C@@H](O)CCC2=CC=C1 C12074 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.12 CCCCC1=CC=CO1 D88935 [1,0,0,0,1,0|2,0,0]=4 618 B9R1.12 CCCCC1=CC=CS1 F15458 [1,0,0,0,1,0|2,0,0]=4 619 B9R1.12 CCCCC1=CSC=C1 F10859 [1,0,0,0,1,0|2,0,0]=4 620 B9R1.6 BrC(Br)C1=CC=CC=C1 N11924 [1,0,0,0,1,0|2,0,0]=4 621 B9R1.6 CC(=O)C1=CC=CC=C1 D71016 [1,0,0,0,1,0|1,0,1]=4 622 B9R1.6 CC(C)C1=CC=NC=C1 T72840 [1,0,0,0,1,0|1,0,0]=3 623 B9R1.6 CC(C)C1=NC=CC=C1 35326 [1,0,0,0,1,0|1,0,0]=3 624 B9R1.6 CN(C)C1=CC=NC=C1 CX1367 [1,0,0,0,1,0|2,0,0]=4 625 B9R1.6 CN(C)C1=CC=NC=C1 D84248 [1,0,0,0,1,0|2,0,0]=4 626 B9R1.6 CN(C)C1=NC=CC=C1 D89909 [1,0,0,0,1,0|2,0,0]=4 627 B9R1.6 CN(N)C1=CC=CC=C1 S11053 [1,0,0,0,1,0|1,0,0]=3 628 B9R1.6 CP(C)C1=CC=CC=C1 D97453 [1,0,0,0,1,0|1,0,0]=3 629 B9R1.6 C[C@H](Br)C1=CC=CC=C1 F20928 [1,0,0,0,1,0|1,0,0]=3 630 B9R1.6 C[C@H](Cl)C1=CN=CC=C1 W15973 [1,0,0,0,1,0|2,0,0]=4 631 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77692 [1,0,0,0,1,0|0,0,0]=2 632 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77861 [1,0,0,0,1,0|0,0,0]=2 633 B9R1.6 C[C@H](N)C1=CC=CN=C1 31704 [1,0,0,0,1,0|1,0,0]=3 634 B9R1.6 C[C@H](N)C1=CC=CN=C1 W10147 [1,0,0,0,1,0|1,0,0]=3 635 B9R1.6 C[C@H](N)C1=CC=NC=C1 29276 [1,0,0,0,1,0|1,0,0]=3 636 B9R1.6 C[C@H](N)C1=CC=NC=C1 31706 [1,0,0,0,1,0|1,0,0]=3 637 B9R1.6 C[C@H](N)C1=CC=NC=C1 32625 [1,0,0,0,1,0|1,0,0]=3 638 B9R1.6 C[C@H](N)C1=CC=NC=C1 74019 [1,0,0,0,1,0|1,0,0]=3 639 B9R1.6 C[C@H](N)C1=CC=NC=C1 74021 [1,0,0,0,1,0|1,0,0]=3 640 B9R1.6 C[C@H](N)C1=NC=CC=C1 31702 [1,0,0,0,1,0|1,0,0]=3 641 B9R1.6 C[C@H](N)C1=NC=CC=C1 73378 [1,0,0,0,1,0|1,0,0]=3 642 B9R1.6 C[C@H](N)C1=NC=CC=C1 73379 [1,0,0,0,1,0|1,0,0]=3 643 B9R1.6 C[C@H](N)C1=NC=CC=C1 74000 [1,0,0,0,1,0|1,0,0]=3 644 B9R1.6 C[C@H](N)C1=NC=CC=C1 74001 [1,0,0,0,1,0|1,0,0]=3 645 B9R1.6 C[C@H](N)C1=NC=CC=C1 AB1582 [1,0,0,0,1,0|1,0,0]=3 646 B9R1.6 C[C@H](O)C1=CC=CC=C1 F13058 [1,0,0,0,1,0|1,0,0]=3 647 B9R1.6 C[C@H](O)C1=CC=CC=C1 F13077 [1,0,0,0,1,0|1,0,0]=3 648 B9R1.6 C[C@H](O)C1=CC=NC=C1 29330 [1,0,0,0,1,0|2,0,0]=4 649 B9R1.6 C[C@H](O)C1=CC=NC=C1 52702 [1,0,0,0,1,0|2,0,0]=4 650 B9R1.6 C[C@H](O)C1=CC=NC=C1 W18270 [1,0,0,0,1,0|2,0,0]=4 651 B9R1.6 C[C@H](O)C1=CN=CC=C1 28468 [1,0,0,0,1,0|2,0,0]=4 652 B9R1.6 C[C@H](O)C1=CN=CC=C1 31273 [1,0,0,0,1,0|2,0,0]=4 653 B9R1.6 C[C@H](O)C1=CN=CC=C1 31307 [1,0,0,0,1,0|2,0,0]=4 654 B9R1.6 C[C@H](O)C1=NC=CC=C1 35186 [1,0,0,0,1,0|2,0,0]=4 655 B9R1.6 C[S@](=O)C1=CC=CC=C1 W16288 [1,0,0,0,1,0|2,0,0]=4 656 B9R1.6 C[SiH](C)C1=CC=CC=C1 I11449 [1,0,0,0,1,0|0,1,0]=3 657 B9R1.6 FC(F)C1=CC=CC=C1 I10230 [1,0,0,0,1,0|2,0,0]=4 658 B9R1.6 N=C(N)C1=CC=CC=C1 30306 [1,0,0,0,1,0|1,0,1]=4 659 B9R1.6 N=C(N)C1=CC=CC=C1 73720 [1,0,0,0,1,0|1,0,1]=4 660 B9R1.6 N=C(N)C1=CC=CC=C1 AC2200 [1,0,0,0,1,0|1,0,1]=4 661 B9R1.6 NC(=O)C1=CC=CC=C1 D70176 [1,0,0,0,1,0|1,0,1]=4 662 B9R1.6 NC(=S)C1=CC=CC=C1 29507 [1,0,0,0,1,0|1,0,1]=4 663 B9R1.13 CC(C)CC1=NC=CS1 O10809 [1,0,0,0,1,0|2,0,0]=4 664 B9R1.13 C[C@H](N)CN1C=CN=C1 AR1133 [1,0,0,0,1,0|2,0,0]=4 665 B9R1.13 C[C@H](O)CC1=CC=CO1 31846 [1,0,0,0,1,0|2,0,0]=4 666 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 W11218 [0,0,0,0,0,2|2,0,0]=4 667 B13R1.718 C[C@H](CBr)COCC1=CC=CC=C1 C77116 [0,0,0,0,0,2|2,0,0]=4