0 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 C#CC(=O)C1=CC=CC=C1 SBB012771 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 C#CC(O)C1=CC=CC=C1 SBB008986 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C(=O)C(C)C1=CC=CC=C1 SBB007693 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 CCC(=O)C1=CC=CC=C1 SBB058853 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 CCC(=O)C1=CC=NC=C1 SBB068976 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CN(C=O)C1=CC=CC=C1 SBB056830 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CNC(=O)C1=CC=CC=C1 SBB051421 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 COC(=N)C1=CC=CC=C1 SBB055305 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 COC(=O)C1=CC=CC=C1 SBB058212 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [0,0,0,0,0,0|0,0,0]=0 18 B10R1.15 C\C(=N/N)C1=CC=CC=C1 SBB069878 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.15 C\C(=N/O)C1=CC=NC=C1 SBB000069 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 C\C(=N/O)C1=CN=CC=C1 SBB085929 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SBB085898 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 C\C(=N\O)C1=CC=CC=N1 SBB085936 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 N#CC(=O)C1=CC=CC=C1 SBB058756 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.15 N#CC(Br)C1=CC=CC=C1 SBB061313 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.15 N#CC(N)C1=CC=CC=C1 SBB003872 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB063139 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.15 NCC(=O)C1=CC=CC=C1 SBB066026 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.15 NNC(=O)C1=CC=CC=C1 SBB040976 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 NNC(=O)C1=CC=CC=N1 SBB027572 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.15 NNC(=O)C1=CC=CN=C1 SBB028255 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 NNC(=O)C1=CC=NC=C1 SBB004195 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB015043 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 N\C(=N/O)C1=CC=CC=C1 SBB055109 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.15 O=C(CBr)C1=CC=NC=C1 SBB051672 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.15 O=C(CBr)C1=CN=CC=C1 SBB005582 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.15 O=C(CBr)C1=NC=CC=C1 SBB005581 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 O=C(CO)C1=CC=CC=C1 SBB085926 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.15 O=C(NO)C1=CC=CC=C1 SBB058405 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.15 O=CC(=O)C1=CC=CC=C1 SBB068905 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 [NH3+]CC(=O)C1=CC=CC=C1 SBB061439 [0,0,0,0,0,0|1,0,2]=3 46 B9R1.6 C=C(C)C1=CC=CC=C1 SBB060154 [1,0,0,0,0,0|0,0,2]=3 47 B9R1.6 CC(=O)C1=CC=CC=C1 SBB040241 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 CC(=O)C1=CC=NC=C1 SBB040256 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,0,0,0,0,0|0,0,0]=1 53 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,0,0,0,0,0|0,0,0]=1 55 B9R1.6 CC(N)C1=CC=NC=C1 SBB007016 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.6 CN(C)C1=CC=CC=C1 SBB040814 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 CN(C)C1=CC=NC=C1 SBB008765 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 CN(N)C1=CC=CC=C1 SBB060814 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.6 C[C@@H](O)C1=CC=NC=C1 SBB065458 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,0,0,0,0,0|0,0,0]=1 64 B9R1.6 N=C(N)C1=CC=CC=C1 SBB055093 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.6 N=C(N)C1=CC=CC=N1 SBB087246 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.6 NC(=O)C1=CC=CC=C1 SBB058198 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.6 NC(=O)C1=CC=CC=N1 SBB008128 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 NC(=O)C1=CC=CN=C1 SBB004283 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 NC(=O)C1=CC=CN=C1 SBB055585 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 NC(=S)C1=CC=CC=C1 SBB041177 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.6 NC(=S)C1=CC=CC=N1 SBB017638 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 NC(=S)C1=CC=NC=C1 SBB028258 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 NC(=S)C1=CN=CC=C1 SBB028259 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 O=C(Cl)C1=CC=CC=C1 SBB059783 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 O=C(F)C1=CC=CC=C1 SBB085547 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 O=C(O)C1=CC=CC=C1 SBB040515 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 SBB040911 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 CNCC1=CC=NC=C1 SBB047816 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.8 COCC1=CC=CC=C1 SBB063549 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [1,0,0,0,0,0|0,0,2]=3 89 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.8 N#CCC1=CC=NC=C1 SBB066966 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.8 N#CSC1=CC=CC=C1 SBB060831 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [1,0,0,0,0,0|0,0,0]=1 94 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [1,0,0,0,0,0|1,0,0]=2 97 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.8 O=CNC1=CC=CC=C1 SBB058769 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.8 O=S=NC1=CC=CC=C1 SBB007761 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.8 S=C=NC1=CC=CC=C1 SBB040940 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 SBB008971 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.7 C#CC(C)(O)C1=CC=CN=C1 SBB013344 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.7 C#CC(C)(O)C1=CC=NC=C1 SBB014399 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.7 C#CC(C)(O)C1=NC=CC=C1 SBB014396 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.7 CC(C)(CN)C1=CC=CC=C1 SBB052397 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.7 CCC(C)(C)C1=CC=CC=C1 SBB060977 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 SBB056738 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.12 CCC(C#N)C1=CC=CC=C1 SBB068828 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.12 CCC(CC)C1=CC=CC=C1 SBB060456 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.12 CCC(CN)C1=CC=CC=C1 SBB073168 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.12 CCN(CC)C1=CC=CC=C1 SBB060520 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 SBB080355 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.12 N#CC(CO)C1=CC=CC=C1 SBB059710 [0,1,0,0,0,0|0,0,2]=3 122 B11R1.12 O\N=C(/CBr)C1=CC=CC=C1 SBB085154 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [0,1,0,0,0,0|0,0,0]=1 124 B11R1.16 CC(N=C=O)C1=CC=CC=C1 SBB023344 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.16 CC(N=C=S)C1=CC=CC=C1 SBB029868 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.16 CC(NC=O)C1=CC=CC=C1 SBB068791 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.16 CCCC(=O)C1=CC=CC=C1 SBB058761 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 SBB070021 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.16 CCNC(=O)C1=CC=CC=C1 SBB058216 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.16 CCOC(=O)C1=CC=CC=C1 SBB058595 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.16 CN(CCN)C1=CC=CC=C1 SBB085429 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.16 CN(CCO)C1=CC=CC=C1 SBB007818 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.16 CN(CCO)C1=NC=CC=C1 SBB017928 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SBB004121 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SBB063710 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.16 O=C(CCF)C1=CC=CC=C1 SBB063711 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.16 O=C(SCO)C1=CC=CC=C1 SBB088192 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.16 OC(C#CBr)C1=CC=CC=C1 SBB013371 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 SBB038706 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 SBB028287 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 CC1=CC=C(C(O)C#N)C=C1 SBB086534 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SBB058414 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SBB056753 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SBB035779 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 SBB058461 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SBB040250 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 CCC(N)C1=CC=C(C)C=C1 SBB017924 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 SBB046785 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.22 CCC(N)C1=CC=C(F)C=C1 SBB010339 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.22 CCC(N)C1=CC=C(O)C=C1 SBB080407 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.22 CCC(O)C1=CC=C(F)C=C1 SBB087018 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.22 C\C(=N/O)C1=CC=C(Cl)C=C1 SBB029872 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 SBB088117 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 SBB100801 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SBB017900 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SBB093579 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 SBB028150 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 SBB003853 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 SBB002375 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 SBB007555 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 SBB043780 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 SBB038654 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 SBB006561 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 SBB005141 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 SBB012414 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 SBB058431 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 SBB086852 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 SBB046784 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.23 CCC(O)C1=CC(F)=CC=C1 SBB087015 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.23 NCC(O)C1=CC(O)=CC=C1 SBB000279 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 SBB055221 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 SBB000110 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 NNC(=O)C1=CC=CC(Br)=C1 SBB032276 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.23 NNC(=O)C1=CC=CC(Cl)=C1 SBB040978 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 SBB102485 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.23 NNC(=O)C1=CC=CC(N)=C1 SBB028304 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.23 OC1=CC=CC(C(CN)O)=C1 SBB004042 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 SBB055478 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SBB086654 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 SBB058576 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SBB007855 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 SBB055419 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 SBB017231 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 SBB028298 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 SBB056598 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.36 O=C(C1=CC=CC=C1)C(F)F SBB087123 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 SBB007783 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 SBB007654 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 SBB086979 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 SBB007730 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 SBB017395 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.222 CC1=CC=CC=C1C(=O)NN SBB028289 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 SBB086854 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 CCC(=O)C1=CC=CC=C1O SBB063301 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.222 CCC(C)C1=CC=CC=C1N SBB061726 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.222 CCC(C)C1=CC=CC=C1O SBB061123 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 SBB080216 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 SBB032274 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.222 NNC(=O)C1=C(F)C=CC=C1 SBB028312 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 SBB007759 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.222 NNC(=O)C1=CC=CC=C1Cl SBB003851 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.222 NNC(=O)C1=CC=CC=C1N SBB021059 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.222 O=C(CBr)C1=CC=CC=C1F SBB051669 [0,1,0,0,0,0|2,0,1]=4 205 B11R2.1 CC1=CNC2=CC=CC=C12 SBB055975 [0,0,0,1,0,0|0,0,2]=3 206 B11R2.1 CC1=CSC2=CC=CC=C12 SBB086600 [0,0,0,1,0,0|1,0,2]=4 207 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.1 N1N=C(C)C2=CC=CN=C21 SBB085837 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.1 N1N=C(Cl)C2=C1C=CC=C2 SBB004051 [0,0,0,1,0,0|2,0,1]=4 210 B11R2.1 NC1=CNC2=C1C=CC=C2 SBB010263 [0,0,0,1,0,0|1,0,2]=4 211 B11R2.1 NC1=NNC2=CC=CC=C21 SBB052086 [0,0,0,1,0,0|2,0,1]=4 212 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.1 O=C1COC2=CC=CC=C12 SBB056285 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 O=C1NNC2=C1C=CC=C2 SBB004210 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.40 NC1(C2=CC=CC=C2)CC1 SBB052390 [0,0,0,1,0,0|2,0,0]=3 218 B11R2.988 N#CC1CC2=CC=CC=C21 SBB056297 [0,0,0,1,0,0|0,0,2]=3 219 B9R1.11 CC(CN)N1C=CC=N1 SBB025921 [0,0,0,0,1,0|2,0,0]=3 220 B9R1.11 CC(CN)N1C=NC=N1 SBB014435 [0,0,0,0,1,0|3,0,0]=4 221 B9R1.11 CC(CO)N1C=CC=N1 SBB046541 [0,0,0,0,1,0|3,0,0]=4 222 B9R1.11 CCC(C)N1C=CC=N1 SBB025131 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.11 CNC(C)C1=CC=CO1 SBB302114 [0,0,0,0,1,0|3,0,0]=4 225 B11R1.40 CC(CN)OC1=CC=CC=C1 SBB028307 [0,0,0,0,0,1|0,0,0]=1 226 B11R1.40 CCC(=O)CC1=CC=CC=C1 SBB060892 [0,0,0,0,0,1|2,0,1]=4 227 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [0,0,0,0,0,1|3,0,0]=4 228 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 SBB040229 [0,0,0,0,0,1|1,0,2]=4 229 B11R1.40 NCC(=O)NC1=CC=CC=C1 SBB004992 [0,0,0,0,0,1|1,0,1]=3 230 B11R1.40 NNC(=O)CC1=CC=CC=C1 SBB046750 [0,0,0,0,0,1|2,0,1]=4 231 B11R1.40 NNC(=O)NC1=CC=CC=C1 SBB028305 [0,0,0,0,0,1|2,0,1]=4 232 B11R1.40 NNC(=S)NC1=CC=CC=C1 SBB007538 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.40 O=C(CBr)NC1=CC=CC=C1 SBB051003 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.40 O=C(CCl)NC1=CC=CC=C1 SBB030441 [0,0,0,0,0,1|2,0,1]=4 235 B11R1.40 O=C(CCl)OC1=CC=CC=C1 SBB060340 [0,0,0,0,0,1|2,0,1]=4 236 B11R1.40 O=C(CS)NC1=CC=CC=C1 SBB008339 [0,0,0,0,0,1|2,0,1]=4 237 B8R1.2 BrCC1=CC=NC=C1 SBB054924 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.2 C#CC1=CC=CC=C1 SBB040919 [2,0,0,0,0,0|0,0,2]=4 240 B8R1.2 CCC1=CC=CC=C1 SBB040891 [2,0,0,0,0,0|0,0,0]=2 241 B8R1.2 CCC1=CC=CC=N1 SBB060373 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 CCC1=CC=NC=C1 SBB061128 [2,0,0,0,0,0|1,0,0]=3 243 B8R1.2 CCC1=CN=CC=C1 SBB060374 [2,0,0,0,0,0|1,0,0]=3 244 B8R1.2 CNC1=CC=CC=C1 SBB008162 [2,0,0,0,0,0|1,0,0]=3 245 B8R1.2 CNC1=CC=CC=C1 SBB059778 [2,0,0,0,0,0|1,0,0]=3 246 B8R1.2 ClCC1=CC=NC=C1 SBB003917 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.2 N#CC1=CC=CC=C1 SBB028746 [2,0,0,0,0,0|0,0,2]=4 249 B8R1.2 NCC1=CC=CC=C1 SBB040473 [2,0,0,0,0,0|0,0,0]=2 250 B8R1.2 NCC1=CC=CN=C1 SBB004351 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.2 NCC1=CC=NC=C1 SBB004350 [2,0,0,0,0,0|1,0,0]=3 252 B8R1.2 NCC1=NC=CC=C1 SBB004352 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.2 NCC1=NC=CN=C1 SBB014584 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 NCC1=NC=NC=C1 SBB086444 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 NNC1=CC=CC=C1 SBB040886 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.2 NNC1=CC=NC=C1 SBB018987 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 OCC1=CC=CC=C1 SBB058558 [2,0,0,0,0,0|1,0,0]=3 258 B8R1.2 OCC1=CC=CN=C1 SBB004344 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 OCC1=CC=NC=C1 SBB004347 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 OCC1=NC=CC=C1 SBB004348 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 ONC1=CC=CC=C1 SBB008413 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 [NH3+]NC1=CC=CC=C1 SBB060000 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 SBB040244 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.13 CC(=O)C1=CC=C(C)C=C1 SBB058845 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 SBB040243 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.13 CC(=O)C1=CC=C(F)C=C1 SBB040257 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.13 CC(=O)C1=CC=C(I)C=C1 SBB058956 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.13 CC(=O)C1=CC=C(N)C=C1 SBB040278 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.13 CC(=O)C1=CC=C(O)C=C1 SBB040251 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.13 CC(C)C1=CC=C(N)C=C1 SBB040447 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.13 CC(N)C1=CC=C(F)C=C1 SBB046789 [1,1,0,0,0,0|0,0,0]=2 273 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB008453 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.13 CC(N)C1=CC=C(O)C=C1 SBB080372 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.13 CC(O)C1=CC=C(Cl)C=C1 SBB063808 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.13 CC(O)C1=CC=C(N)C=C1 SBB048111 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.13 CC1=CC=C(C(=N)N)C=C1 SBB088463 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.13 CC1=CC=C(C(C)C)C=C1 SBB060399 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.13 CC1=CC=C(C(C)N)C=C1 SBB010017 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.13 CC1=CC=C(C(C)O)C=C1 SBB061733 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.13 CC1=CC=C(C(N)=O)C=C1 SBB007862 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.13 CC1=CC=C(C(N)=S)C=C1 SBB016502 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.13 CN(C)C1=CC=C(Br)C=C1 SBB058575 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.13 CN(C)C1=CC=C(N)C=C1 SBB058715 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.13 CN(C)C1=CC=[N+]([O-])C=C1 SBB008470 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 SBB064275 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 SBB064274 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 SBB089501 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SBB091235 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SBB073154 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.13 N=C(N)C1=CC=C(F)C=C1 SBB088979 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SBB003838 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 N=C(N)C1=CC=C(N)C=C1 SBB063615 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.13 N=C(\C1=CC=C(N)C=C1)N SBB005770 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.13 NC(=O)C1=CC=C(F)C=C1 SBB086057 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.13 NC(=O)C1=CC=C(N)C=C1 SBB028159 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.13 NC(=O)C1=CC=C(O)C=C1 SBB058350 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 SBB095205 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 SBB016508 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SBB016503 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.13 NC(=S)C1=CC=C(O)C=C1 SBB066605 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.13 NC(C)C1=CC=C(Br)C=C1 SBB006746 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.13 NC(C)C1=CC=C(Cl)C=C1 SBB004019 [1,1,0,0,0,0|0,0,0]=2 304 B10R1.13 [NH3+]C1=CC=C(N(C)C)C=C1 SBB059799 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.28 CC(C)(C)C1=CC=CC=C1 SBB040882 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.28 CC(C)(C)C1=CC=CC=N1 SBB085909 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.28 CC(C)(N)C1=CC=CC=C1 SBB028249 [1,1,0,0,0,0|0,0,0]=2 308 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 SBB037857 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 SBB058202 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 SBB040857 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.61 CC(=O)C1=C(N)C=CC=C1 SBB058825 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.61 CC(=O)C1=CC=CC=C1C SBB063140 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.61 CC(=O)C1=CC=CC=C1Cl SBB040259 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.61 CC(=O)C1=CC=CC=C1F SBB058458 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.61 CC(=O)C1=CC=CC=C1I SBB064803 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.61 CC(=O)C1=CC=CC=C1O SBB040261 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SBB092412 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.61 CC(C)C1=C(N)C=CC=C1 SBB040455 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 SBB046790 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.61 CC(O)C1=CC=CC=C1N SBB072985 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.61 CC1=C(C(N)=O)C=CC=C1 SBB007860 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.61 CC1=CC=CC=C1C(N)=S SBB036004 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.61 CN(C)C1=C(N)C=NC=C1 SBB050376 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.61 CS(=O)C1=C(F)C=CC=C1 SBB087301 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 SBB086152 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.61 C[C@H](O)C1=CC=CC=C1Br SBB064753 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl SBB064728 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 SBB092542 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.61 NC(=O)C1=C(F)C=CC=C1 SBB058361 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.61 NC(=O)C1=C(N)C=CC=C1 SBB007561 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.61 NC(=O)C1=C(O)C=CC=C1 SBB058584 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.61 NC(=O)C1=CC=CC=C1Cl SBB004023 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 SBB095207 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.61 NC(=S)C1=C(F)C=CC=C1 SBB016504 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.61 NC(=S)C1=CC=CC=C1N SBB045972 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 SBB040258 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 SBB055121 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.113 CC(=O)C1=CC=CC(C)=C1 SBB061772 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.113 CC(=O)C1=CC=CC(F)=C1 SBB063564 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.113 CC(=O)C1=CC=CC(N)=C1 SBB058713 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SBB040280 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.113 CC(N)C1=CC(Br)=CC=C1 SBB047651 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 SBB046822 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.113 CC(N)C1=CC=CC(O)=C1 SBB080427 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.113 CC(O)C1=CC(N)=CC=C1 SBB008559 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.113 CC(O)C1=CC=CC(Cl)=C1 SBB068833 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.113 CC(O)C1=CC=C[N+]([O-])=C1 SBB086069 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.113 CC1=CC(C(Br)Br)=CC=C1 SBB061660 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.113 CC1=CC(C(N)=O)=CC=C1 SBB007861 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.113 CC1=CC(N(C)C)=CC=C1 SBB008276 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.113 CC1=CC=CC(C(C)C)=C1 SBB061535 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.113 CC1=CC=CC(C(C)N)=C1 SBB046820 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.113 CC1=CC=CC(C(N)=S)=C1 SBB086796 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.113 CN(C)C1=CC=CC(Cl)=C1 SBB008273 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.113 CN(C)C1=CC=CC(F)=C1 SBB086090 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 SBB064272 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 SBB086151 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.113 N=C(N)C1=CC(N)=CC=C1 SBB003839 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 SBB301617 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 SBB009893 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.113 NC(=O)C1=CC=CC(F)=C1 SBB086055 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.113 NC(=O)C1=CC=CC(N)=C1 SBB028153 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.113 NC(=O)C1=CC=CC(O)=C1 SBB079277 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 SBB095206 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 SBB017686 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.1 CC1=CC=C(CC#N)C=C1 SBB063995 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.1 CC1=CC=C(CC=O)C=C1 SBB052212 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 CC1=CC=C(CON)C=C1 SBB021738 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.1 CCOC1=CC=C(Br)C=C1 SBB059353 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.1 CCOC1=CC=C(C)C=C1 SBB060988 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.1 CCOC1=CC=C(Cl)C=C1 SBB040853 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.1 CCOC1=CC=C(F)C=C1 SBB086157 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.1 CCOC1=CC=C(N)C=C1 SBB040442 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.1 CCOC1=CC=C(N)C=C1 SBB073014 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.1 CCOC1=CC=C(O)C=C1 SBB043810 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.1 CCSC1=CC=C(N)C=C1 SBB071614 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.1 CNCC1=CC=C(C)C=C1 SBB079252 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.1 CNCC1=CC=C(Cl)C=C1 SBB010371 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.1 CNCC1=CC=C(F)C=C1 SBB005902 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.1 CNCC1=CC=C(O)C=C1 SBB046545 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.1 FC1=CC=C(C[Zn]Cl)C=C1 SBB094275 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.1 N#CCC1=CC=C(Br)C=C1 SBB055164 [1,1,0,0,0,0|0,0,2]=4 386 B10R1.1 N#CCC1=CC=C(Cl)C=C1 SBB004060 [1,1,0,0,0,0|0,0,2]=4 387 B10R1.1 N#CCC1=CC=C(F)C=C1 SBB063691 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.1 N#CCC1=CC=C(N)C=C1 SBB004218 [1,1,0,0,0,0|0,0,2]=4 389 B10R1.1 N#CCC1=CC=C(O)C=C1 SBB063205 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.1 O=CCC1=CC=C(Br)C=C1 SBB052205 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.1 O=CCC1=CC=C(F)C=C1 SBB052206 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.4 C=CCC1=CC=CC=C1O SBB044905 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.4 CC1=CC=CC=C1CC#N SBB058333 [1,1,0,0,0,0|0,0,2]=4 401 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.4 CCCN1C=CC=CC1=O SBB008029 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.4 CCNC1=CC=CC=C1N SBB111820 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.4 CCOC1=C(F)C=CC=C1 SBB086154 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.4 CCOC1=CC=CC=C1C SBB060978 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.4 CCOC1=CC=CC=C1Cl SBB061024 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.4 CCOC1=CC=CC=C1O SBB060424 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.4 CNCC1=C(Br)C=CC=C1 SBB092552 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.4 CNCC1=CC=CC=C1Cl SBB010370 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.4 CNCC1=CC=CC=C1F SBB086087 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.4 FC1=C(CCBr)C=CC=C1 SBB018050 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.4 N#CCC1=CC=CC=C1Cl SBB063987 [1,1,0,0,0,0|0,0,2]=4 413 B10R1.4 N#CCC1=CC=CC=C1F SBB063693 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.4 N#CCC1=CC=CC=C1N SBB064661 [1,1,0,0,0,0|0,0,2]=4 415 B10R1.4 NC1=C(OCC)C=CC=C1 SBB006726 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.4 NNCC1=CC=CC=C1Cl SBB010382 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.4 OCCC1=C(F)C=CC=C1 SBB086155 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.10 CC1=CC=CC(CC#N)=C1 SBB068545 [1,1,0,0,0,0|0,0,2]=4 419 B10R1.10 CCOC1=CC(N)=CC=C1 SBB059860 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.10 CCOC1=CC=CC(C)=C1 SBB060989 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.10 CCOC1=CC=CC(O)=C1 SBB005788 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.10 CNCC1=CC(O)=CC=C1 SBB046532 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.10 FC1=CC=CC(C[Zn]Cl)=C1 SBB094274 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.10 N#CCC1=CC(Br)=CC=C1 SBB006625 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.10 N#CCC1=CC(Cl)=CC=C1 SBB057203 [1,1,0,0,0,0|0,0,2]=4 426 B10R1.10 N#CCC1=CC=CC(F)=C1 SBB063692 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.10 NNCC1=CC(O)=CC=C1 SBB003436 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.10 OCCC1=CC(F)=CC=C1 SBB055447 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.17 C#CCNC1=CC=CC=C1 SBB010262 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.17 C#CCOC1=CC=CC=C1 SBB008983 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.17 CCNCC1=CC=NC=C1 SBB058813 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.17 N#CCOC1=CC=CC=C1 SBB016774 [1,1,0,0,0,0|0,0,2]=4 450 B10R1.17 N#CSCC1=CC=CC=C1 SBB056767 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [1,1,0,0,0,0|0,0,0]=2 457 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.17 S=C=NCC1=CC=CC=C1 SBB002731 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 SBB008183 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.18 CC(C)NC1=CC=CC=C1 SBB007921 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.18 CC(N)CC1=CN=CC=N1 SBB025636 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.18 FC(F)OC1=CC=CC=C1 SBB070688 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.18 N=C(N)CC1=CC=CC=N1 SBB019209 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.18 N=C(N)CC1=CC=CN=C1 SBB019447 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [1,1,0,0,0,0|0,0,1]=3 475 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [1,1,0,0,0,0|0,0,1]=3 477 B10R1.18 NC(=S)NC1=CC=CC=C1 SBB036022 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.18 NC(N)=NC1=CC=CC=C1 SBB055106 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.9 CCC(CN)N1C=CC=N1 SBB025930 [0,1,0,0,1,0|2,0,0]=4 482 B10R1.9 CCC(NC)C1=CC=CO1 SBB302388 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.14 CC(CN)N1C=C(I)C=N1 SBB074022 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.14 CC1=CN(C(C)CN)N=C1 SBB025924 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.14 CC1=NN(C(C)CN)C=C1 SBB025922 [0,1,0,0,1,0|2,0,0]=4 486 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SBB037855 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 SBB063242 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [0,1,0,0,0,1|1,0,1]=4 489 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,0,1|1,0,1]=4 490 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,0,1|1,0,1]=4 491 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 SBB004993 [0,1,0,0,0,1|1,0,1]=4 492 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 SBB027665 [0,1,0,0,0,1|0,0,0]=2 493 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 SBB002525 [0,1,0,0,0,1|1,0,1]=4 494 B12R1.194 CC(C)(C#N)NC1=CC=CC=C1 SBB017951 [0,1,0,0,0,1|0,0,2]=4 495 B12R1.194 CC(C)(C=O)SC1=CC=CC=C1 SBB052358 [0,1,0,0,0,1|1,0,1]=4 496 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 SBB015072 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.371 CC(CN)OC1=CC=CC=C1Cl SBB027666 [0,1,0,0,0,1|0,0,0]=2 498 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 SBB302781 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 SBB302782 [0,2,0,0,0,0|0,0,0]=2 500 B12R1.9 CCC(C)(C)C1=CC=C(C)C=C1 SBB061242 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.9 CCC(C)(C)C1=CC=C(O)C=C1 SBB056682 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.10 CC(C)(CN)C1=CC=CC(F)=C1 SBB302780 [0,2,0,0,0,0|0,0,0]=2 503 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 SBB043962 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.195 CC(C)(CN)C1=C(F)C=CC=C1 SBB085500 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 SBB063153 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 SBB068832 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 SBB063248 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 SBB088489 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.3 CCCC(C#N)C1=CC=CC=C1 SBB007788 [0,2,0,0,0,0|0,0,2]=4 510 B12R1.3 CCCC(CC)C1=CC=CC=C1 SBB061240 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.3 CCCC(CN)C1=CC=CC=C1 SBB073169 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.3 CCN(CCO)C1=CC=CC=C1 SBB007817 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.3 N#CCC(C#N)C1=CC=CC=C1 SBB008064 [0,2,0,0,0,0|0,0,2]=4 514 B12R1.12 CCC(NC)C1=CC=C(F)C=C1 SBB044867 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 SBB008236 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 SBB017540 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 SBB040493 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 SBB059403 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.13 CCN(CC)C1=CC(C)=CC=C1 SBB060524 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 SBB001837 [0,2,0,0,0,0|0,0,2]=4 521 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 SBB008509 [0,2,0,0,0,0|0,0,2]=4 522 B12R1.478 CCC(C(=O)Cl)C1=CC=CC=C1 SBB067924 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 SBB042503 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.478 CN(C)C(C#N)C1=CC=CC=C1 SBB007705 [0,2,0,0,0,0|0,0,2]=4 525 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 SBB028352 [0,2,0,0,0,0|0,0,0]=2 526 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 SBB058045 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.16 CC(N=C=S)C1=CC=C(F)C=C1 SBB089816 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 SBB013970 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SBB063601 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 SBB000429 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.17 CNC[C@@H](O)C1=CC(O)=CC=C1 SBB064156 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.30 C#CCNC(C)C1=CC=CC=C1 SBB010417 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.30 CN(CCCN)C1=CC=CC=C1 SBB051731 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 SBB051565 [0,2,0,0,0,0|0,0,1]=3 540 B12R1.107 N(C(C)C)[C@H](C)C1=CC=CC=C1 SBB059587 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.308 NC(CCO)C1=CC=CC=C1Cl SBB301633 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 SBB009830 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.5 CNC(C)C1=CC=C(OC)C=C1 SBB085415 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 SBB003530 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.20 CC(C(=O)O)C1=CC=C(Cl)C=C1 SBB064110 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.20 CC(C)C(N)C1=CC=C(F)C=C1 SBB085363 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 SBB037860 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.20 OC(=O)C(C)C1=CC=C(O)C=C1 SBB003894 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.20 [NH3+]C(C)C(O)C1=CC=C(O)C=C1 SBB056907 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.367 CCC(C)C1=CC=C(O)C(N)=C1 SBB058494 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 SBB023346 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.367 NCC(=O)C1=CC=C(Cl)C(Cl)=C1 SBB064539 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.367 NCC(O)C1=CC=C(O)C(O)=C1 SBB066098 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.367 NC[C@@H](O)C1=CC(O)=C(O)C=C1 SBB064179 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 SBB023347 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.354 CCC(N)C1=C(Cl)C=CC(Cl)=C1 SBB018453 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.358 CCC(O)C1=CC(F)=CC(F)=C1 SBB088622 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.564 CC(C)(C)C(O)C1=CC=CC=C1 SBB087836 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.564 OC(C1=CC=CC=C1)C(Cl)(Cl)Cl SBB008085 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.564 OC(C1=CC=CC=C1)C(F)(F)F SBB072680 [0,2,0,0,0,0|2,0,0]=4 566 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [1,0,0,1,0,0|1,0,0]=3 567 B10R2.7 C1=CC2=C(C=C1)NN=N2 SBB060070 [1,0,0,1,0,0|2,0,0]=4 568 B10R2.7 C1=CC2=C(C=C1)OCO2 SBB059641 [1,0,0,1,0,0|2,0,0]=4 569 B10R2.7 C1=CC=C2CC=CC2=C1 SBB040862 [1,0,0,1,0,0|1,0,1]=4 570 B10R2.7 C1=CC=C2COCC2=C1 SBB068697 [1,0,0,1,0,0|2,0,0]=4 571 B10R2.7 C1=CC=C2NC=CC2=C1 SBB055980 [1,0,0,1,0,0|0,0,2]=4 572 B10R2.7 C1=CC=C2NN=CC2=C1 SBB040063 [1,0,0,1,0,0|1,0,1]=4 573 B10R2.7 C1=CC=C2OCCC2=C1 SBB056038 [1,0,0,1,0,0|1,0,0]=3 574 B10R2.7 C1=CC=C2SCNC2=C1 SBB017116 [1,0,0,1,0,0|1,0,0]=3 575 B10R2.7 N1C=NC2=C1C=CC=C2 SBB004294 [1,0,0,1,0,0|1,0,1]=4 576 B10R2.7 N1CCC2=C1C=CC=C2 SBB004291 [1,0,0,1,0,0|0,0,0]=2 577 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [0,0,0,1,0,1|1,0,1]=4 578 B12R2.18 NC1C2=CC=CC=C2CC1O SBB052066 [0,0,0,1,0,1|1,0,0]=3 579 B12R2.18 NC1CC2=CC=CC=C2C1O SBB052067 [0,0,0,1,0,1|2,0,0]=4 580 B12R2.18 OC1C2=C(C=CC=C2)CC1Br SBB058660 [0,0,0,1,0,1|2,0,0]=4 581 B12R2.18 O[C@H]1CC2=C(C=CC=C2)[C@H]1N SBB006600 [0,0,0,1,0,1|1,0,0]=3 582 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,1,0,1|1,0,0]=3 583 B12R2.24 CC1CNC2=C(C=CC=C2)S1 SBB048277 [0,0,0,1,0,1|0,0,0]=2 584 B12R2.24 CC1CNC2=CC=CC=C2O1 SBB080829 [0,0,0,1,0,1|0,0,0]=2 585 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [0,0,0,1,0,1|2,0,0]=4 586 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [0,0,0,1,0,1|1,0,1]=4 587 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,0,0,1,0,1|2,0,0]=4 588 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [0,0,0,1,0,1|1,0,0]=3 589 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 SBB021214 [0,0,0,1,0,1|0,0,2]=4 590 B12R2.32 NCC1=CC2=CC=CC=C2O1 SBB072101 [0,0,0,1,0,1|0,0,2]=4 591 B12R2.32 NCC1=NC2=CC=CC=C2N1 SBB002735 [0,0,0,1,0,1|1,0,1]=4 592 B12R2.32 NCC1=NC2=CC=CC=C2O1 SBB002785 [0,0,0,1,0,1|1,0,1]=4 593 B12R2.32 NCC1=NC2=CC=CC=C2S1 SBB092692 [0,0,0,1,0,1|1,0,1]=4 594 B12R2.32 NCC1CC2=CC=CC=C2O1 SBB013722 [0,0,0,1,0,1|0,0,0]=2 595 B12R2.32 OCC1CC2=C(C=CC=C2)N1 SBB086644 [0,0,0,1,0,1|1,0,0]=3 596 B12R2.32 OCC1CC2=CC=CC=C2O1 SBB017925 [0,0,0,1,0,1|1,0,0]=3 597 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 SBB055156 [0,1,0,1,0,0|0,0,2]=4 598 B12R2.48 NCC1(C2=CC=CC=C2)CC1 SBB052398 [0,1,0,1,0,0|0,0,0]=2 599 B12R2.1 OCC1=CNC2=C1C=CC=C2 SBB004095 [0,1,0,1,0,0|0,0,2]=4 600 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,1,0,1,0,0|1,0,0]=3 601 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [0,1,0,1,0,0|0,0,0]=2 603 B12R2.2 C1=CC=C(C2NCCS2)C=C1 SBB087945 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.2 C1=CN=C(C2CCCN2)C=C1 SBB050916 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.1081 NC1CCOC2=CC=CC=C21 SBB042737 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 SBB052076 [0,1,0,1,0,0|1,0,1]=4 614 B12R2.2028 OC1CC(O)C2=CC=CC=C21 SBB056381 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 SBB052391 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 SBB008649 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 SBB027127 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 SBB086634 [0,1,0,1,0,0|0,0,2]=4 619 B12R2.196 CC1=NNC2=C1C=CC=C2N SBB012866 [0,1,0,1,0,0|1,0,1]=4 620 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.7 CC(C)C1=NNC=C1 SBB026130 [1,0,0,0,1,0|2,0,0]=4 622 B8R1.7 CC(C)N1C=CC=N1 SBB025134 [1,0,0,0,1,0|2,0,0]=4 623 B8R1.7 CC(C)N1C=CN=C1 SBB046689 [1,0,0,0,1,0|2,0,0]=4 624 B8R1.7 CC(N)C1=CC=CO1 SBB017903 [1,0,0,0,1,0|1,0,0]=3 625 B8R1.7 CC(N)C1=CC=CS1 SBB028228 [1,0,0,0,1,0|1,0,0]=3 626 B8R1.7 CN(C)C1=CC=CS1 SBB059107 [1,0,0,0,1,0|2,0,0]=4 627 B8R1.8 CCCC1=CC=CS1 SBB073407 [1,0,0,0,1,0|2,0,0]=4 628 B8R1.8 NCCC1=CC=CO1 SBB013333 [1,0,0,0,1,0|1,0,0]=3 629 B8R1.8 NCCC1=CC=CS1 SBB013250 [1,0,0,0,1,0|1,0,0]=3 630 B8R1.8 NCCC1=CC=CS1 SBB013650 [1,0,0,0,1,0|1,0,0]=3 631 B8R1.8 NCCC1=CNC=N1 SBB003722 [1,0,0,0,1,0|2,0,0]=4 632 B8R1.8 NCCC1=CNC=N1 SBB012708 [1,0,0,0,1,0|2,0,0]=4 633 B8R1.8 NCCC1=CNN=C1 SBB018789 [1,0,0,0,1,0|2,0,0]=4 634 B8R1.8 NCCC1=CSC=C1 SBB109999 [1,0,0,0,1,0|1,0,0]=3 635 B8R1.8 NCCC1=NC=CS1 SBB046047 [1,0,0,0,1,0|2,0,0]=4 636 B8R1.8 NCCN1C=CC=N1 SBB007087 [1,0,0,0,1,0|2,0,0]=4 637 B8R1.8 NCCN1C=CN=C1 SBB026490 [1,0,0,0,1,0|2,0,0]=4 638 B8R1.8 OCCC1=CC=CS1 SBB062831 [1,0,0,0,1,0|2,0,0]=4 639 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [0,0,0,0,0,2|1,0,0]=3 640 B12R1.27 CCC(O)C#CC1=CC=CC=C1 SBB008984 [0,0,0,0,0,2|2,0,0]=4 641 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SBB063677 [0,0,0,0,0,2|1,0,1]=4 642 B12R1.27 OC(CCl)COC1=CC=CC=C1 SBB061224 [0,0,0,0,0,2|2,0,0]=4 643 B12R1.27 OC(COC1=CC=CC=C1)CN SBB010049 [0,0,0,0,0,2|1,0,0]=3 644 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [0,0,0,0,0,2|2,0,0]=4