0 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 B(c1ccc(cc1O)F)(O)O TS07662 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.166 CC1=CC(=O)C(CC1)C(C)C TS10229 [0,0,0,0,0,0|0,0,4]=4 25 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C TS41183 [0,0,0,0,0,0|0,0,4]=4 26 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,0,0,0,0,0|2,1,1]=4 39 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,0,0,0,0,0|2,0,1]=3 41 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,0,0,0,0,0|1,0,1]=2 55 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,0,0,0,0,0|2,0,1]=3 57 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,0,0,0,0,0|0,0,0]=0 58 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,0,0,0,0,0|0,0,0]=0 59 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] TS55627 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.166 c1cc(c(cc1Br)F)C(F)F TS52106 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.166 c1cc(c(cc1Cl)Cl)C(Cl)Cl TS52918 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.166 c1cc(c(cc1F)Br)C(F)F TS23943 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,0,0,0,0|1,0,2]=4 78 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,0,0,0,0,0|1,0,2]=4 79 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.13 CC(C)c1cnc(nc1)N TS71578 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CC(C)c1ncc(cn1)Br TS88647 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CC1=CCC(C=C1)C(C)C TS37056 [1,0,0,0,0,0|0,0,2]=3 101 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C TS37050 [1,0,0,0,0,0|0,0,2]=3 102 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,0,0,0,0,0|2,0,0]=3 114 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,0,0,0,0,0|2,0,0]=3 116 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,0,0,0,0,0|0,0,2]=3 126 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,0,0,0,0,0|1,0,1]=3 128 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,0,0,0,0,0|0,0,0]=1 133 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,0,0,0,0,0|0,0,0]=1 134 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,0,0,0,0,0|1,0,0]=2 138 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,0,0,0,0,0|1,0,0]=2 147 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,0,0,0,0,0|1,0,0]=2 148 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,0,0,0,0,0|1,0,0]=2 149 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,0,0,0,0,0|1,0,0]=2 160 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,0,0,0,0,0|1,0,0]=2 161 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.25 CCn1ccc(cc1=O)N TS88737 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.25 COc1ccc(cc1F)F TS09234 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.25 COc1ccc(cc1F)N TS02745 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.25 COc1ccc(cc1F)O TS02753 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.25 COc1ccc(cc1F)S TS10975 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.25 COc1ccc(cc1I)N TS39440 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.25 COc1ccc(cc1I)N TS54863 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.25 COc1ccc(cc1N)F TS07833 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.25 COc1ccc(cc1N)I TS65363 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.25 COc1ccc(cc1N)N TS37199 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.25 COc1ccc(cc1N)N TS43949 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.25 COc1ccc(cc1N)N TS56780 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.25 COc1ccc(cc1O)F TS07835 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.25 COc1ccc(cc1O)N TS37282 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.25 COc1ccc(cc1O)O TS06433 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.25 COc1ccc(cc1S)F TS10974 [1,0,0,0,0,0|2,1,0]=4 197 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,0,0,0,0,0|1,0,2]=4 213 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,0,0,0,0,0|1,0,1]=3 231 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,0,0,0,0,0|1,0,1]=3 232 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,0,0,0,0,0|1,0,0]=2 233 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [1,0,0,0,0,0|2,0,1]=4 241 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,0,0,0,0,0|2,0,1]=4 253 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,0,0,0,0,0|2,0,1]=4 269 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.61 B(c1ccccc1O)(O)O TS55396 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,0,0,0,0,0|1,0,2]=4 273 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,0,0,0,0,0|2,0,1]=4 274 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,0,0,0,0,0|2,0,1]=4 275 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,0,0,0,0,0|2,0,1]=4 277 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,0,0,0,0,0|2,0,1]=4 278 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,0,0,0,0,0|1,0,1]=3 279 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,0,0,0,0,0|1,0,0]=2 280 B10R1.61 CC(C)c1ccccc1F TS06286 [1,0,0,0,0,0|1,0,0]=2 281 B10R1.61 CC(C)c1ccccc1I TS27403 [1,0,0,0,0,0|1,0,0]=2 282 B10R1.61 CC(C)c1ccccc1N TS06016 [1,0,0,0,0,0|1,0,0]=2 283 B10R1.61 CC(C)c1ccccc1O TS06094 [1,0,0,0,0,0|0,0,0]=1 284 B10R1.61 CC(C)c1ccccc1S TS41199 [1,0,0,0,0,0|0,1,0]=2 285 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,0,0,0,0,0|1,0,0]=2 286 B10R1.61 CC(c1c(cccn1)F)O TS06577 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.61 CC(c1ccccc1F)N TS37297 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.61 CC(c1ccccc1F)O TS08150 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.61 CC(c1cccnc1Br)N TS19152 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.61 CC(c1cccnc1N)O TS37203 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.61 CN(C)c1ccccc1F TS37299 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.61 CN(C)c1ccncc1Br TS19155 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,0,0,0,0,0|2,0,0]=3 299 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,0,0,0,0,0|1,0,2]=4 308 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,0,0,0,0,0|2,0,1]=4 309 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,0,0,0,0,0|2,0,1]=4 315 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,0,0,0,0,0|2,0,1]=4 316 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,0,0,0,0,0|2,0,1]=4 317 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,0,0,0,0,0|2,0,1]=4 318 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,0,0,0,0,0|2,0,1]=4 319 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,0,0,0,0,0|2,0,1]=4 320 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,0,0,0,0,0|2,0,1]=4 321 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,0,0,0,0,0|2,0,1]=4 322 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,0,0,0,0,0|2,0,1]=4 324 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,0,0,0,0,0|2,0,1]=4 326 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,0,0,0,0,0|2,0,1]=4 327 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,0,0,0,0,0|2,0,1]=4 328 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,0,0,0,0,0|2,0,1]=4 329 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,0,0,0,0,0|3,0,0]=4 333 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,1,0,0,0,0|2,0,1]=4 334 B12R1.57 Cc1ccc(c(c1)CO)[N+](=O)[O-] TS43215 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,1,0,0,0,0|2,0,1]=4 336 B12R1.57 Cc1ccc(c(c1)OC)C(C)C TS42786 [0,1,0,0,0,0|0,0,0]=1 337 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] TS08709 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.126 Cc1ccc(c(c1)Cl)C(F)(F)F TS55234 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.126 Cc1ccc(c(c1)N)C(F)(F)F TS13636 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.126 Cc1ccc(c(c1)O)C(C)(C)C TS42793 [0,1,0,0,0,0|0,0,0]=1 341 B12R1.126 c1cc(c(cc1F)O)C(F)(F)F TS60436 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C TS11889 [0,1,0,0,0,0|0,0,1]=2 343 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,1,0,0,0,0|2,0,1]=4 344 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,1,0,0,0,0|1,0,1]=3 345 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,1,0,0,0,0|1,0,1]=3 346 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O TS48690 [0,1,0,0,0,0|0,0,0]=1 347 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])O TS50614 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS12068 [0,1,0,0,0,0|0,0,0]=1 349 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS38182 [0,1,0,0,0,0|0,0,0]=1 350 B12R1.232 Cc1cc(c(cc1O)C(C)C)Br TS24683 [0,1,0,0,0,0|1,0,0]=2 351 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,1,0,0,0,0|1,0,1]=3 354 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [0,1,0,0,0,0|1,0,0]=2 355 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,1,0,0,0,0|2,0,1]=4 356 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,1,0,0,0,0|2,0,1]=4 359 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,1,0,0,0,0|2,0,1]=4 363 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C TS11743 [0,1,0,0,0,0|2,0,0]=3 365 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,1,0,0,0,0|1,0,1]=3 366 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)O TS44819 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.1000 Cc1cc(c(c(c1)O)[N+](=O)[O-])O TS12641 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.1000 Cc1cc(cc(c1N(C)C)C)Br TS52605 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.1703 CC(=NO)c1ccc(cc1O)O TS12367 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,1,0,0,0,0|2,0,1]=4 373 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,1,0,0,0,0|1,0,1]=3 381 B12R1.1703 c1cc(c(cc1Cl)Cl)[C@@H](CCl)O TS24057 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,1,0,0,0,0|2,0,1]=4 383 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,0,0,1,0,0|3,0,0]=4 384 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,0,0,1,0,0|2,0,1]=4 385 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,0,0,1,0,0|2,0,1]=4 386 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,0,0,1,0,0|2,0,1]=4 387 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,0,0,1,0,0|2,0,1]=4 388 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,0,0,1,0,0|1,0,1]=3 389 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,0,0,1,0,0|2,0,1]=4 390 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,0,0,1,0,0|2,0,1]=4 391 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,0,0,1,0,0|2,0,1]=4 392 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,0,0,1,0,0|2,0,1]=4 393 B10R1.59 Cc1cc(n(n1)C(C)C)N TS06387 [0,0,0,0,1,0|3,0,0]=4 394 B12R1.233 CC(C)Oc1c(cc(cn1)Br)I TS78569 [0,0,0,0,0,1|3,0,0]=4 395 B12R1.233 CC(C)Oc1ccc(cc1Br)F TS25335 [0,0,0,0,0,1|2,0,0]=3 396 B12R1.233 CC(C)Oc1ccc(cc1F)Br TS25336 [0,0,0,0,0,1|2,0,0]=3 397 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,0,0,0,0,1|2,0,1]=4 398 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,0,0,0,0,1|2,0,1]=4 399 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|1,0,0]=3 400 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|1,0,0]=3 402 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|1,0,0]=3 403 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|1,0,0]=3 404 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|1,0,0]=3 406 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|1,0,0]=3 407 B9R1.1 CCc1ccc(nc1)C TS32477 [2,0,0,0,0,0|1,0,0]=3 408 B9R1.1 CCc1ccc(nc1)O TS04959 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|2,0,0]=4 418 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|2,0,0]=4 420 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|2,0,0]=4 425 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|2,0,0]=4 429 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|2,0,0]=4 430 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|0,0,2]=4 435 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 436 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|0,0,2]=4 437 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|1,0,1]=4 438 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,0]=3 439 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,0]=3 440 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,0]=3 441 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,0]=3 444 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|1,0,0]=3 447 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|1,0,0]=3 448 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.1 Cc1ccc(cn1)CN TS88042 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.1 Cc1ccc(cn1)OC TS04979 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.1 Cc1ccc(nc1)CN TS08057 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.1 c1cc(ccc1CBr)Br TS09598 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.1 c1cc(ccc1CBr)F TS03088 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.1 c1cc(ccc1CBr)I TS09718 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.1 c1cc(ccc1CCl)Br TS16774 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.1 c1cc(ccc1CCl)F TS07044 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.1 c1cc(ccc1CN)Br TS09597 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.1 c1cc(ccc1CN)Br TS60052 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.1 c1cc(ccc1CN)Cl TS33154 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.1 c1cc(ccc1CN)Cl TS71062 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.1 c1cc(ccc1CN)F TS03087 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.1 c1cc(ccc1CN)F TS42359 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.1 c1cc(ccc1CN)I TS07803 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.1 c1cc(ccc1CN)I TS73917 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.1 c1cc(ccc1CN)N TS32510 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.1 c1cc(ccc1CS)Br TS19522 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.1 c1cc(ccc1CS)Cl TS42005 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.1 c1cc(ccc1CS)F TS06684 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|0,0,2]=4 484 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|1,0,1]=4 485 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|1,0,1]=4 486 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|1,0,1]=4 487 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|1,0,1]=4 488 B9R1.6 CC(C)c1ccccn1 TS32479 [2,0,0,0,0,0|1,0,0]=3 489 B9R1.6 CC(C)c1ccccn1 TS49188 [2,0,0,0,0,0|1,0,0]=3 490 B9R1.6 CC(C)c1ccncc1 TS09132 [2,0,0,0,0,0|1,0,0]=3 491 B9R1.6 CC(C)c1cnccn1 TS04911 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.6 CC(c1ccccc1)Cl TS37453 [2,0,0,0,0,0|1,0,0]=3 493 B9R1.6 CC(c1ccccc1)N TS55879 [2,0,0,0,0,0|1,0,0]=3 494 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|1,0,0]=3 495 B9R1.6 CC(c1ccccn1)N TS47025 [2,0,0,0,0,0|2,0,0]=4 496 B9R1.6 CC(c1ccccn1)N TS59503 [2,0,0,0,0,0|2,0,0]=4 497 B9R1.6 CC(c1ccccn1)O TS08930 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.6 CC(c1cccnc1)N TS59573 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.6 CC(c1ccncc1)N TS51965 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.6 CC(c1ccncc1)N TS59574 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.6 CN(C)c1ccccc1 TS56353 [2,0,0,0,0,0|1,0,0]=3 503 B9R1.6 CN(C)c1ccccn1 TS04916 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.6 CN(C)c1cccnc1 TS32521 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.6 CN(C)c1ccncc1 TS71094 [2,0,0,0,0,0|2,0,0]=4 506 B9R1.6 CN(C)c1ccncc1 TS79663 [2,0,0,0,0,0|2,0,0]=4 507 B9R1.6 CN(C)c1ccncc1 TS93097 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.6 CN(c1ccccc1)N TS46980 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.6 CP(C)c1ccccc1 TS37178 [2,0,0,0,0,0|1,0,0]=3 510 B9R1.6 CP(C)c1ccccc1 TS75399 [2,0,0,0,0,0|1,0,0]=3 511 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [2,0,0,0,0,0|1,0,0]=3 512 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|1,0,0]=3 513 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [2,0,0,0,0,0|2,0,0]=4 515 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [2,0,0,0,0,0|2,0,0]=4 516 B9R1.6 C[C@H](c1ccccc1)N TS00310 [2,0,0,0,0,0|1,0,0]=3 517 B9R1.6 C[C@H](c1ccccc1)N TS29339 [2,0,0,0,0,0|1,0,0]=3 518 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|1,0,0]=3 519 B9R1.6 C[C@H](c1ccccn1)O TS04976 [2,0,0,0,0,0|2,0,0]=4 520 B9R1.6 C[C@H](c1cccnc1)O TS04956 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.6 C[C@H](c1ccncc1)O TS39982 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [2,0,0,0,0,0|0,1,0]=3 523 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [2,0,0,0,0,0|2,0,0]=4 525 B9R1.15 C#Cc1ccccc1O TS55318 [2,0,0,0,0,0|0,0,2]=4 526 B9R1.15 CC[n+]1ccccc1Br TS33546 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [2,0,0,0,0,0|1,0,1]=4 528 B9R1.15 CCc1ccccc1Br TS15420 [2,0,0,0,0,0|1,0,0]=3 529 B9R1.15 CCc1ccccc1C TS16337 [2,0,0,0,0,0|1,0,0]=3 530 B9R1.15 CCc1ccccc1Cl TS37450 [2,0,0,0,0,0|1,0,0]=3 531 B9R1.15 CCc1ccccc1I TS25157 [2,0,0,0,0,0|1,0,0]=3 532 B9R1.15 CCc1ccccc1N TS32474 [2,0,0,0,0,0|1,0,0]=3 533 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|0,0,0]=2 534 B9R1.15 CCc1ccccc1S TS06304 [2,0,0,0,0,0|0,1,0]=3 535 B9R1.15 CCc1cccnc1C TS32475 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.15 CCc1ccncc1C TS32464 [2,0,0,0,0,0|2,0,0]=4 537 B9R1.15 CCc1cnccc1Br TS92322 [2,0,0,0,0,0|2,0,0]=4 538 B9R1.15 CCc1cnccc1C TS32480 [2,0,0,0,0,0|2,0,0]=4 539 B9R1.15 CCc1cncnc1O TS05018 [2,0,0,0,0,0|2,0,0]=4 540 B9R1.15 CNc1ccccc1Cl TS37531 [2,0,0,0,0,0|2,0,0]=4 541 B9R1.15 CNc1ccccc1F TS56413 [2,0,0,0,0,0|2,0,0]=4 542 B9R1.15 CNc1ccccc1N TS01587 [2,0,0,0,0,0|2,0,0]=4 543 B9R1.15 CNc1ccccc1N TS41998 [2,0,0,0,0,0|2,0,0]=4 544 B9R1.15 CNc1ccccc1N TS60152 [2,0,0,0,0,0|2,0,0]=4 545 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|1,0,0]=3 546 B9R1.15 COc1ccccc1Br TS00023 [2,0,0,0,0,0|2,0,0]=4 547 B9R1.15 COc1ccccc1Cl TS37688 [2,0,0,0,0,0|2,0,0]=4 548 B9R1.15 COc1ccccc1F TS60288 [2,0,0,0,0,0|2,0,0]=4 549 B9R1.15 COc1ccccc1I TS09308 [2,0,0,0,0,0|2,0,0]=4 550 B9R1.15 COc1ccccc1N TS29238 [2,0,0,0,0,0|2,0,0]=4 551 B9R1.15 COc1ccccc1N TS59329 [2,0,0,0,0,0|2,0,0]=4 552 B9R1.15 COc1ccccc1P TS06425 [2,0,0,0,0,0|2,0,0]=4 553 B9R1.15 COc1ccccc1S TS37393 [2,0,0,0,0,0|1,1,0]=4 554 B9R1.15 COc1ccccc1[Zn+] TS74540 [2,0,0,0,0,0|2,0,0]=4 555 B9R1.15 COc1cccnc1O TS55383 [2,0,0,0,0,0|2,0,0]=4 556 B9R1.15 CSc1ccccc1Br TS19526 [2,0,0,0,0,0|2,0,0]=4 557 B9R1.15 CSc1ccccc1Cl TS42002 [2,0,0,0,0,0|2,0,0]=4 558 B9R1.15 CSc1ccccc1F TS06689 [2,0,0,0,0,0|2,0,0]=4 559 B9R1.15 CSc1ccccc1I TS27990 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|1,0,0]=3 561 B9R1.15 CSc1ccccc1[Zn+] TS76795 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.15 Cc1ccccc1CBr TS01133 [2,0,0,0,0,0|2,0,0]=4 563 B9R1.15 Cc1ccccc1CCl TS37456 [2,0,0,0,0,0|2,0,0]=4 564 B9R1.15 Cc1ccccc1CN TS04867 [2,0,0,0,0,0|2,0,0]=4 565 B9R1.15 Cc1ccccc1CO TS04907 [2,0,0,0,0,0|2,0,0]=4 566 B9R1.15 Cc1ccccc1CS TS06308 [2,0,0,0,0,0|2,0,0]=4 567 B9R1.15 Cc1ccccc1NC TS32471 [2,0,0,0,0,0|2,0,0]=4 568 B9R1.15 Cc1ccccc1OC TS32508 [2,0,0,0,0,0|2,0,0]=4 569 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [2,0,0,0,0,0|2,0,0]=4 570 B9R1.15 c1cc(c(nc1)CO)O TS55400 [2,0,0,0,0,0|2,0,0]=4 571 B9R1.15 c1cc(c(nc1)CO)O TS70604 [2,0,0,0,0,0|2,0,0]=4 572 B9R1.15 c1cc(c(nc1)O)CN TS42244 [2,0,0,0,0,0|2,0,0]=4 573 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [2,0,0,0,0,0|1,0,1]=4 574 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [2,0,0,0,0,0|1,0,1]=4 575 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [2,0,0,0,0,0|1,0,0]=3 580 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [2,0,0,0,0,0|2,0,0]=4 582 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.15 c1ccc(c(c1)CN)F TS65429 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.15 c1ccc(c(c1)CN)I TS53416 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.15 c1ccc(c(c1)CN)N TS39642 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.15 c1ccc(c(c1)CN)O TS04954 [2,0,0,0,0,0|1,0,0]=3 590 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.15 c1ccc(c(c1)CO)F TS36110 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.15 c1ccc(c(c1)CO)I TS01080 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.15 c1ccc(c(c1)CO)N TS47468 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.15 c1ccc(c(c1)CO)O TS32604 [2,0,0,0,0,0|1,0,0]=3 596 B9R1.15 c1ccc(c(c1)CO)S TS37394 [2,0,0,0,0,0|1,1,0]=4 597 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.15 c1ccc(c(c1)CS)F TS06685 [2,0,0,0,0,0|2,0,0]=4 600 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [2,0,0,0,0,0|2,0,0]=4 601 B9R1.15 c1cncc(c1CO)O TS05089 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [2,0,0,0,0,0|2,0,0]=4 604 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [2,0,0,0,0,0|2,0,0]=4 605 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [2,0,0,0,0,0|2,0,0]=4 606 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [2,0,0,0,0,0|1,0,0]=3 608 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [2,0,0,0,0,0|2,0,0]=4 609 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [2,0,0,0,0,0|2,0,0]=4 610 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [2,0,0,0,0,0|2,0,0]=4 611 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [2,0,0,0,0,0|2,0,0]=4 612 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [2,0,0,0,0,0|2,0,0]=4 615 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [2,0,0,0,0,0|1,0,0]=3 616 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [2,0,0,0,0,0|2,0,0]=4 619 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|2,0,0]=4 622 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [2,0,0,0,0,0|1,0,0]=3 626 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [2,0,0,0,0,0|2,0,0]=4 628 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [2,0,0,0,0,0|2,0,0]=4 629 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [2,0,0,0,0,0|2,0,0]=4 630 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|2,0,0]=4 631 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [2,0,0,0,0,0|2,0,0]=4 632 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [2,0,0,0,0,0|1,0,0]=3 633 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [2,0,0,0,0,0|1,0,0]=3 638 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [2,0,0,0,0,0|1,0,0]=3 643 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|2,0,0]=4 648 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|0,0,0]=2 650 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|1,0,0]=3 651 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|1,0,0]=3 652 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|1,0,0]=3 653 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|1,0,0]=3 654 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [2,0,0,0,0,0|0,1,0]=3 655 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [2,0,0,0,0,0|1,1,0]=4 656 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [2,0,0,0,0,0|1,1,0]=4 657 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [2,0,0,0,0,0|1,1,0]=4 658 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [2,0,0,0,0,0|1,0,0]=3 659 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [2,0,0,0,0,0|2,0,0]=4 662 B9R1.69 Cc1ccc(cc1Br)I TS08325 [2,0,0,0,0,0|2,0,0]=4 663 B9R1.69 Cc1ccc(cc1Br)N TS09455 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.69 Cc1ccc(cc1C)Br TS39736 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [2,0,0,0,0,0|2,0,0]=4 666 B9R1.69 Cc1ccc(cc1C)F TS65457 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.69 Cc1ccc(cc1C)I TS25161 [2,0,0,0,0,0|2,0,0]=4 668 B9R1.69 Cc1ccc(cc1C)N TS32462 [2,0,0,0,0,0|2,0,0]=4 669 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.69 Cc1ccc(cc1C)S TS06303 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.69 Cc1ccc(cc1F)Br TS16763 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.69 Cc1ccc(cc1F)F TS47222 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.69 Cc1ccc(cc1F)I TS02163 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.69 Cc1ccc(cc1F)N TS02755 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.69 Cc1ccc(cc1F)O TS02758 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.69 Cc1ccc(cc1F)S TS06690 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [2,0,0,0,0,0|2,0,0]=4 684 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.69 Cc1ccc(cc1I)F TS60397 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.69 Cc1ccc(cc1I)N TS53418 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.69 Cc1ccc(cc1N)Br TS47394 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.69 Cc1ccc(cc1N)F TS71546 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.69 Cc1ccc(cc1N)I TS08884 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.69 Cc1ccc(cc1N)N TS32517 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.69 Cc1ccc(cc1N)O TS65470 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|1,0,0]=3 695 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|1,0,0]=3 696 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|1,0,0]=3 697 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|1,0,0]=3 698 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [2,0,0,0,0,0|1,1,0]=4 699 B9R1.69 Cc1ccc(cc1S)F TS06686 [2,0,0,0,0,0|1,1,0]=4 700 B9R1.69 Cc1ccc(nc1C)C TS04872 [2,0,0,0,0,0|2,0,0]=4 701 B9R1.69 Cc1ccc(nc1C)C TS26913 [2,0,0,0,0,0|2,0,0]=4 702 B9R1.69 Cc1ccc(nc1N)C TS02606 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [2,0,0,0,0,0|2,0,0]=4 709 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [2,0,0,0,0,0|2,0,0]=4 710 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [2,0,0,0,0,0|2,0,0]=4 713 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.69 c1cc(c(cc1F)O)F TS36449 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.69 c1cc(c(cc1F)O)N TS36211 [2,0,0,0,0,0|2,0,0]=4 717 B9R1.69 c1cc(c(cc1F)O)O TS39506 [2,0,0,0,0,0|2,0,0]=4 718 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [2,0,0,0,0,0|2,0,0]=4 719 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [2,0,0,0,0,0|2,0,0]=4 720 B9R1.69 c1cc(c(cc1N)O)O TS20087 [2,0,0,0,0,0|2,0,0]=4 721 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [2,0,0,0,0,0|2,0,0]=4 722 B9R1.69 c1cc(c(cc1O)O)F TS71140 [2,0,0,0,0,0|2,0,0]=4 723 B9R1.69 c1cc(c(cc1O)O)N TS42356 [2,0,0,0,0,0|2,0,0]=4 724 B9R1.69 c1cc(c(cc1O)O)O TS05134 [2,0,0,0,0,0|2,0,0]=4 725 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,1,0,0,0,0|1,0,1]=4 726 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.3 CC(C)c1ccc(cc1)C#C TS01856 [1,1,0,0,0,0|0,0,1]=3 728 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [1,1,0,0,0,0|0,0,1]=3 729 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [1,1,0,0,0,0|0,0,1]=3 730 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [1,1,0,0,0,0|0,0,0]=2 731 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [1,1,0,0,0,0|0,0,0]=2 732 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [1,1,0,0,0,0|0,0,0]=2 733 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [1,1,0,0,0,0|0,0,0]=2 734 B11R1.3 CC(C)c1ccc(cc1)NN TS09944 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.3 CC(C)c1ccc(cc1)NN TS15742 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [1,1,0,0,0,0|0,0,0]=2 737 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [1,1,0,0,0,0|0,0,0]=2 740 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [1,1,0,0,0,0|1,0,0]=3 741 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [1,1,0,0,0,0|1,0,0]=3 742 B11R1.3 CN(C)c1ccc(cc1)C#C TS07116 [1,1,0,0,0,0|1,0,1]=4 743 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [1,1,0,0,0,0|1,0,1]=4 744 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [1,1,0,0,0,0|1,0,0]=3 745 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.3 CN(C)c1ccc(cc1)N=O TS09885 [1,1,0,0,0,0|2,0,0]=4 748 B11R1.3 CN(C)c1ccc(cc1)[Mg]Br TS50540 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77100 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77101 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.3 C[C@@H](c1ccc(cc1)C#N)N TS08105 [1,1,0,0,0,0|1,0,1]=4 752 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [1,1,0,0,0,0|1,0,1]=4 754 B11R1.3 C[C@H](c1ccc(cc1)C#N)N TS08058 [1,1,0,0,0,0|1,0,1]=4 755 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [1,1,0,0,0,0|1,0,1]=4 756 B11R1.19 CC(C)(C)c1ccc(cc1)Br TS39998 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.19 CC(C)(C)c1ccc(cc1)Cl TS12633 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.19 CC(C)(C)c1ccc(cc1)I TS09205 [1,1,0,0,0,0|1,0,0]=3 759 B11R1.19 CC(C)(C)c1ccc(cc1)N TS40788 [1,1,0,0,0,0|1,0,0]=3 760 B11R1.19 CC(C)(C)c1ccc(cc1)O TS09914 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.19 CC(C)(C)c1ccc(cc1)S TS03197 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.19 CC(C)(C)c1ccc(cc1)[O-] TS50792 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.19 CC(C)(c1ccc(cc1)F)N TS10336 [1,1,0,0,0,0|1,0,0]=3 764 B11R1.19 CC(C)(c1ccc(cc1)F)O TS10445 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.19 C[N+](C)(C)c1ccc(cc1)N TS61180 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.19 C[Si](C)(C)c1ccc(cc1)Br TS52820 [1,1,0,0,0,0|1,1,0]=4 767 B11R1.19 C[Si](C)(C)c1ccc(cc1)Cl TS15402 [1,1,0,0,0,0|1,1,0]=4 768 B11R1.19 C[Si](C)(C)c1ccc(cc1)F TS12592 [1,1,0,0,0,0|1,1,0]=4 769 B11R1.19 C[Si](C)(C)c1ccc(cc1)S TS15049 [1,1,0,0,0,0|1,1,0]=4 770 B11R1.19 Cc1ccc(cc1)C(C)(C)C TS07507 [1,1,0,0,0,0|0,0,0]=2 771 B11R1.19 Cc1ccc(cc1)C(F)(F)F TS09141 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C TS42819 [1,1,0,0,0,0|0,1,0]=3 774 B11R1.21 CC(C)c1ccc(c(c1)Br)N TS39651 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N TS51020 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.21 CC(c1ccc(c(c1)F)F)N TS41759 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.21 C[C@@H](c1ccc(c(c1)F)Cl)N TS20840 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.21 C[C@@H](c1ccc(c(c1)F)F)N TS41756 [1,1,0,0,0,0|2,0,0]=4 782 B11R1.21 C[C@H](c1ccc(c(c1)Cl)F)N TS13420 [1,1,0,0,0,0|2,0,0]=4 783 B11R1.21 C[C@H](c1ccc(c(c1)F)Cl)N TS20839 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.21 C[C@H](c1ccc(c(c1)F)F)N TS10832 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.21 Cc1c(nc(cn1)C(C)C)C TS09941 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.21 Cc1cc(ccc1Cl)[C@H](C)N TS45062 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [1,1,0,0,0,0|1,0,1]=4 788 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [1,1,0,0,0,0|1,0,1]=4 789 B11R1.21 Cc1ccc(cc1Cl)[C@@H](C)N TS45057 [1,1,0,0,0,0|1,0,0]=3 790 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.21 Cc1ccc(cc1N)C(C)C TS07607 [1,1,0,0,0,0|0,0,0]=2 792 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [1,1,0,0,0,0|0,0,0]=2 794 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [1,1,0,0,0,0|1,0,0]=3 798 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [1,1,0,0,0,0|1,0,0]=3 800 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,1,0,0,0,0|1,0,1]=4 808 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [1,1,0,0,0,0|0,0,1]=3 809 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.37 COc1cc(ccc1CCl)F TS13587 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.37 COc1cc(ccc1CO)F TS10664 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.37 COc1ccc(cc1CO)Br TS07816 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.37 COc1ccc(cc1OC)Br TS09621 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.37 COc1ccc(cc1OC)F TS41604 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.37 COc1ccc(cc1OC)I TS68773 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.37 COc1ccc(cc1OC)N TS02553 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.37 COc1ccc(cc1OC)N TS16248 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.37 COc1ccc(cc1OC)O TS65454 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.37 COc1ccc(cc1OC)S TS12826 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [1,1,0,0,0,0|1,0,0]=3 831 B11R1.81 CCCc1ccc(cc1O)O TS41141 [1,1,0,0,0,0|1,0,0]=3 832 B11R1.81 CCNc1ccc(cc1Cl)Cl TS51023 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.81 CCNc1ccc(cc1N)Cl TS12938 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.81 CCOc1ccc(cc1N)N TS62845 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [1,1,0,0,0,0|2,0,0]=4 839 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [1,1,0,0,0,0|1,0,0]=3 841 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [1,1,0,0,0,0|1,0,0]=3 842 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.278 Cc1ccc(c(c1F)F)CBr TS23229 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.278 Cc1ccc(c(c1F)F)CN TS10830 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.279 CNc1ccc(cc1N)OC TS10200 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|1,0,0]=3 867 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|1,0,0]=3 868 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [1,1,0,0,0,0|1,1,0]=4 869 B11R1.279 COc1ccc(cc1Br)CN TS21977 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.279 COc1ccc(cc1F)CBr TS65514 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.279 COc1ccc(cc1F)CN TS41508 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 877 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|1,0,1]=4 878 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,0]=3 879 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|1,0,0]=3 880 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.464 Cc1cc(c(c(c1)C)CBr)C TS44302 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.464 Cc1cc(c(c(c1)C)CCl)C TS12632 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.464 Cc1cc(c(c(c1)C)CN)C TS07602 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.464 Cc1cc(c(c(c1)C)CO)C TS09925 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.464 Cc1cc(c(c(c1)C)CS)C TS43139 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.464 Cc1cc(c(c(c1)O)C=O)O TS10138 [1,1,0,0,0,0|1,0,1]=4 890 B11R1.53 CC(=O)c1ccccc1OC TS09870 [1,1,0,0,0,0|1,0,1]=4 891 B11R1.53 CC(C)c1ccccc1C=O TS55413 [1,1,0,0,0,0|0,0,1]=3 892 B11R1.53 CC(C)c1ccccc1OC TS40899 [1,1,0,0,0,0|0,0,0]=2 893 B11R1.53 CN(C)c1ccccc1C=O TS00515 [1,1,0,0,0,0|1,0,1]=4 894 B11R1.53 C[C@@H](c1ccccc1OC)N TS10074 [1,1,0,0,0,0|1,0,0]=3 895 B11R1.53 C[C@H](c1ccccc1OC)N TS10073 [1,1,0,0,0,0|1,0,0]=3 896 B11R1.87 CC(C)(C)c1ccccc1N TS65054 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.87 CC(C)(C)c1ccccc1O TS09922 [1,1,0,0,0,0|0,0,0]=2 898 B11R1.87 CC(C)(C)c1ccccc1S TS43141 [1,1,0,0,0,0|0,1,0]=3 899 B11R1.87 CC(C)(c1ccccc1N)O TS41042 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.87 Cc1ccccc1C(C)(C)C TS07504 [1,1,0,0,0,0|1,0,0]=3 902 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [1,1,0,0,0,0|1,0,1]=4 903 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [1,1,0,0,0,0|1,0,1]=4 904 B11R1.156 CC(c1c(cccc1Cl)Cl)O TS17226 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.156 C[C@@H](c1c(cccc1Cl)F)N TS13421 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [1,1,0,0,0,0|1,0,1]=4 907 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [1,1,0,0,0,0|1,0,1]=4 908 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [1,1,0,0,0,0|1,0,1]=4 909 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [1,1,0,0,0,0|1,0,1]=4 910 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [1,1,0,0,0,0|0,0,0]=2 911 B11R1.159 CN(C)c1cccc(c1Cl)Cl TS51013 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.159 Cc1cccc(c1N)C(C)C TS55412 [1,1,0,0,0,0|1,0,0]=3 914 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [1,1,0,0,0,0|0,0,0]=2 915 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|1,0,1]=4 916 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|1,0,1]=4 917 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,1]=4 919 B11R1.167 CC(c1cc(ccc1Cl)Cl)N TS16292 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [1,1,0,0,0,0|0,0,0]=2 924 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.167 Cc1ccc(cc1N(C)C)N TS09950 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.222 CC(=NO)c1ccccc1O TS10031 [1,1,0,0,0,0|1,0,1]=4 929 B11R1.222 CCC(=O)c1ccccc1O TS09859 [1,1,0,0,0,0|1,0,1]=4 930 B11R1.222 CCC(C)c1ccccc1N TS40776 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.222 CCC(C)c1ccccc1O TS40906 [1,1,0,0,0,0|0,0,0]=2 932 B11R1.222 CNC(=O)c1ccccc1O TS41017 [1,1,0,0,0,0|1,0,1]=4 933 B11R1.222 COC(=O)c1ccccc1O TS10129 [1,1,0,0,0,0|1,0,1]=4 934 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [1,1,0,0,0,0|1,0,1]=4 935 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [1,1,0,0,0,0|2,0,0]=4 938 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.163 CC(C)C(=O)c1ccc(cc1O)O TS47918 [0,1,0,0,0,1|1,0,0]=3 941 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)N TS22701 [0,1,0,0,0,1|2,0,0]=4 942 B13R1.876 CN(C)Cc1cc(c(cc1O)F)F TS15772 [0,1,0,0,0,1|2,0,0]=4 943 B13R1.876 Cc1cc(c(cc1Cl)NC(=O)C)O TS18887 [0,1,0,0,0,1|1,0,1]=4 944 B13R1.99 CC(=O)c1ccc(cc1OC)OC TS32898 [0,2,0,0,0,0|1,0,1]=4 945 B13R1.165 Cc1ccc(c(c1)[N+](=O)[O-])C(C)C TS14438 [0,2,0,0,0,0|0,0,1]=3 946 B13R1.2065 Cc1ccc(c(c1)OC)C(=O)OC TS32824 [0,2,0,0,0,0|1,0,1]=4 947 B13R1.2398 Cc1cc(c(cc1C)OC)C(=O)C TS14216 [0,2,0,0,0,0|1,0,1]=4 948 B13R1.651 Cc1cc(c(cc1N=O)C(C)C)O TS55411 [0,2,0,0,0,0|0,0,0]=2 949 B13R1.651 Cc1cc(c(cc1OC)C(=O)C)O TS14575 [0,2,0,0,0,0|1,0,1]=4 950 B13R1.652 CC(C)c1cc(c(cc1F)OC)Br TS85794 [0,2,0,0,0,0|1,0,0]=3 951 B13R1.652 CC(C)c1cc(c(cc1F)OC)I TS92104 [0,2,0,0,0,0|1,0,0]=3 952 B13R1.1807 Cc1cc(c(cc1Br)C(=O)OC)O TS27260 [0,2,0,0,0,0|1,0,1]=4 953 B13R1.1807 Cc1cc(c(cc1Cl)C(=O)CBr)O TS29965 [0,2,0,0,0,0|1,0,1]=4 954 B13R1.1807 Cc1cc(c(cc1I)C(=O)OC)O TS58250 [0,2,0,0,0,0|1,0,1]=4 955 B13R1.2812 Cc1cc(c(c(c1O)Br)C(C)C)Br TS60701 [0,2,0,0,0,0|1,0,0]=3 956 B13R1.95 COc1ccc(c(c1)O)C(=O)OC TS48233 [0,2,0,0,0,0|1,0,1]=4 957 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)O TS57812 [0,2,0,0,0,0|1,0,1]=4 958 B13R1.120 CC(C)c1ccc(cc1Br)[N+](=O)[O-] TS61963 [0,2,0,0,0,0|2,0,0]=4 959 B13R1.120 CC(C)c1ccc(cc1I)C(=O)O TS58070 [0,2,0,0,0,0|1,0,1]=4 960 B13R1.120 Cc1cc(ccc1C(C)C)C(C)C TS46187 [0,2,0,0,0,0|1,0,0]=3 961 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C TS14611 [0,2,0,0,0,0|1,0,1]=4 962 B13R1.428 CC(=O)c1c(cc(cc1O)OC)O TS48235 [0,2,0,0,0,0|1,0,1]=4 963 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)OC)O TS14916 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [0,0,1,1,0,0|2,0,0]=4 965 B11R1.424 CC1=C(C(CC=C1)(C)C)C=O TS09926 [0,0,1,1,0,0|0,0,2]=4 966 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [1,0,0,1,0,0|2,0,0]=4 967 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [1,0,0,1,0,0|2,0,0]=4 968 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [1,0,0,1,0,0|2,0,0]=4 969 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [1,0,0,1,0,0|2,0,0]=4 970 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [1,0,0,1,0,0|2,0,0]=4 971 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [1,0,0,1,0,0|2,0,0]=4 972 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|2,0,0]=4 973 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [1,0,0,1,0,0|1,0,0]=3 974 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|1,0,0]=3 975 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [1,0,0,1,0,0|1,0,1]=4 976 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [1,0,0,1,0,0|2,0,0]=4 977 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [1,0,0,1,0,0|2,0,0]=4 978 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [1,0,0,1,0,0|2,0,0]=4 979 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [1,0,0,1,0,0|2,0,0]=4 980 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [1,0,0,1,0,0|2,0,0]=4 981 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [1,0,0,1,0,0|2,0,0]=4 982 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [1,0,0,1,0,0|2,0,0]=4 983 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [1,0,0,1,0,0|2,0,0]=4 984 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [1,0,0,1,0,0|2,0,0]=4 985 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,0,0,1,0,0|2,0,0]=4 986 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [1,0,0,1,0,0|1,0,1]=4 987 B11R2.1 CC1CNc2c1cccc2 TS05845 [1,0,0,1,0,0|1,0,0]=3 988 B11R2.1 CN1CCc2c1cccc2 TS36778 [1,0,0,1,0,0|2,0,0]=4 989 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,0,0,1,0,0|1,0,1]=4 990 B11R2.1 Cc1coc2c1cccc2 TS36667 [1,0,0,1,0,0|0,0,2]=4 991 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [1,0,0,1,0,0|1,0,1]=4 992 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [1,0,0,1,0,0|1,0,0]=3 993 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [1,0,0,1,0,0|1,0,0]=3 994 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [1,0,0,1,0,0|2,0,0]=4 995 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [1,0,0,1,0,0|2,0,0]=4 996 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [1,0,0,1,0,0|2,0,0]=4 997 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [1,0,0,1,0,0|2,0,0]=4 998 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [1,0,0,1,0,0|2,0,0]=4 999 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [1,0,0,1,0,0|2,0,0]=4 1000 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [1,0,0,1,0,0|2,0,0]=4 1001 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [1,0,0,1,0,0|2,0,0]=4 1002 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [1,0,0,1,0,0|2,0,0]=4 1003 B13R2.3051 CC1(Oc2ccc(cc2O1)N)C TS19286 [0,0,0,1,0,1|1,0,0]=3 1004 B13R2.3683 CC1CCc2cc(ccc2N1)F TS42909 [0,0,0,1,0,1|2,0,0]=4 1005 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,0,0,1,0,1|1,0,0]=3 1006 B13R2.5179 CN1CCOc2c1ccc(c2)Br TS16497 [0,1,0,1,0,0|2,0,0]=4 1007 B13R2.3125 c1cc(c(cc1Cl)Cl)C2(CC2)N TS38201 [0,1,0,1,0,0|2,0,0]=4 1008 B13R2.2130 COc1ccc2c(c1)CCC2N TS11725 [0,1,0,1,0,0|2,0,0]=4 1009 B13R2.2130 Cc1c2ccc(cc2on1)OC TS11696 [0,1,0,1,0,0|1,0,1]=4 1010 B9R1.35 Cc1csc(n1)C(C)C TS06617 [1,0,0,0,1,0|2,0,0]=4 1011 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [1,0,0,0,0,1|1,0,0]=3 1012 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [1,0,0,0,0,1|1,0,0]=3 1013 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [1,0,0,0,0,1|1,0,0]=3 1014 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [1,0,0,0,0,1|1,0,0]=3 1015 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [1,0,0,0,0,1|1,0,0]=3 1016 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [1,0,0,0,0,1|1,0,0]=3 1017 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [1,0,0,0,0,1|2,0,0]=4 1018 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [1,0,0,0,0,1|2,0,0]=4 1019 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [1,0,0,0,0,1|2,0,0]=4 1020 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [1,0,0,0,0,1|2,0,0]=4 1021 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [1,0,0,0,0,1|2,0,0]=4 1022 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [1,0,0,0,0,1|2,0,0]=4 1023 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [1,0,0,0,0,1|2,0,0]=4 1024 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,0,0,0,0,1|1,0,1]=4 1025 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [1,0,0,0,0,1|1,0,1]=4 1026 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,0,0,0,0,1|1,0,1]=4 1027 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [1,0,0,0,0,1|2,0,0]=4 1028 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [1,0,0,0,0,1|1,0,1]=4 1029 B11R1.86 CC(C)Cc1ccccc1O TS40918 [1,0,0,0,0,1|0,0,0]=2 1030 B11R1.86 CC(C)Nc1c(cccn1)N TS10088 [1,0,0,0,0,1|2,0,0]=4 1031 B11R1.86 CC(C)Oc1c(cccn1)I TS29880 [1,0,0,0,0,1|2,0,0]=4 1032 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [1,0,0,0,0,1|1,0,0]=3 1033 B11R1.86 CC(C)Oc1ccccc1O TS10184 [1,0,0,0,0,1|0,0,0]=2 1034 B11R1.86 CN(C)Cc1c(cccn1)O TS10196 [1,0,0,0,0,1|2,0,0]=4 1035 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [1,0,0,0,0,1|2,0,0]=4 1036 B11R1.86 CN(C)Cc1ccccc1N TS09933 [1,0,0,0,0,1|2,0,0]=4 1037 B11R1.86 c1ccc(c(c1)O)OC(F)F TS42114 [1,0,0,0,0,1|2,0,0]=4 1038 B11R1.74 Cc1cc(cc(c1)N(C)C)C TS40787 [0,0,0,0,1,1|2,0,0]=4 1039 B11R1.74 Cc1cc(cc(c1)O)C(C)C TS09924 [0,0,0,0,1,1|0,0,0]=2 1040 B11R1.74 Cc1cc(cc(c1)[C@@H](C)N)C TS07615 [0,0,0,0,1,1|2,0,0]=4 1041 B11R1.74 Cc1cc(cc(c1)[C@H](C)N)C TS40781 [0,0,0,0,1,1|2,0,0]=4 1042 B11R1.74 Cc1cc(nc(n1)C(C)C)O TS10194 [0,0,0,0,1,1|1,0,0]=3