0 B11R1.166 B(c1ccc(cc1C)Br)(O)O TS94834 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 B(c1ccc(cc1C)Cl)(O)O TS71021 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 B(c1ccc(cc1C)F)(O)O TS01122 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 B(c1ccc(cc1Cl)F)(O)O TS55215 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 B(c1ccc(cc1F)Br)(O)O TS16939 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 B(c1ccc(cc1F)Cl)(O)O TS03039 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 B(c1ccc(cc1F)F)(O)O TS93311 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 B(c1ccc(cc1F)I)(O)O TS08420 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.166 B(c1ccc(cc1O)F)(O)O TS07662 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,0,0,0,0,0|1,0,0]=1 29 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] TS01054 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,0,0,0,0,0|2,0,0]=2 43 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,0,0,0,0,0|2,0,0]=2 46 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,0,0,0,0,0|1,0,0]=1 49 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br TS16764 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl TS03259 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F TS93803 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])I TS68681 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N TS02830 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [0,0,0,0,0,0|2,0,1]=3 56 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O TS55393 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,0,0,0,0,0|3,1,0]=4 62 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,0,0,0,0,0|2,0,0]=2 63 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,0,0,0,0,0|2,0,0]=2 75 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,0,0,0,0,0|2,0,0]=2 77 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,0,0,0,0,0|1,0,0]=1 79 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] TS55627 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,0,0,0,0,0|1,0,0]=1 94 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])Cl TS71046 [0,0,0,0,0,0|3,0,1]=4 95 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])N TS02988 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O TS59708 [0,0,0,0,0,0|3,0,1]=4 97 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O TS47200 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.166 c1c(c(nc(n1)S)O)C(=O)O TS13128 [0,0,0,0,0,0|2,1,0]=3 99 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl TS90418 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,0,0,0,0,0|2,0,0]=2 110 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,0,0,0,0,0|2,0,0]=2 111 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,0,0,0,0,0|2,0,0]=2 114 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,0,0,0,0,0|1,0,0]=1 117 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,0,0,0,0,0|2,0,1]=3 118 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,0,0,0,0,0|1,1,0]=2 119 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,0,0,0,0,0|2,0,0]=2 120 B11R1.166 c1cc(c(cc1Cl)Br)[N+](=O)[O-] TS55096 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,0,0,0,0,0|4,0,0]=4 122 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,0,0,0,0,0|2,0,0]=2 125 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,0,0,0,0,0|3,1,0]=4 126 B11R1.166 c1cc(c(cc1Cl)Cl)N(=O)=O TS59919 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,0,0,0,0,0|3,0,0]=3 128 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.166 c1cc(c(cc1Cl)F)N(=O)=O TS03042 [0,0,0,0,0,0|3,0,1]=4 130 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,0,0,0,0,0|2,0,0]=2 131 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,0,0,0,0,0|2,0,0]=2 132 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] TS03255 [0,0,0,0,0,0|3,0,1]=4 133 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,0,0,0,0,0|1,0,0]=1 134 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,0,0,0,0,0|2,0,0]=2 136 B11R1.166 c1cc(c(cc1F)Br)N(=O)=O TS08320 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,0,0,0,0,0|2,0,0]=2 140 B11R1.166 c1cc(c(cc1F)Cl)N(=O)=O TS00888 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,0,0,0,0,0|2,0,0]=2 145 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,0,0,0,0,0|3,1,0]=4 147 B11R1.166 c1cc(c(cc1F)F)N(=O)=O TS00634 [0,0,0,0,0,0|3,0,1]=4 148 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,0,0,0,0,0|2,0,0]=2 149 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] TS03303 [0,0,0,0,0,0|3,0,1]=4 151 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,0,0,0,0,0|1,0,0]=1 152 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,0,0,0,0,0|2,0,1]=3 153 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,0,0,0,0,0|1,1,0]=2 154 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,0,0,0,0,0|2,0,0]=2 155 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,0,0,0,0,0|2,0,0]=2 156 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,0,0,0,0,0|1,0,0]=1 158 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] TS09460 [0,0,0,0,0,0|3,0,1]=4 159 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,0,0,0,0,0|2,0,0]=2 160 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] TS13258 [0,0,0,0,0,0|3,0,1]=4 161 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,0,0,0,0,0|2,0,0]=2 162 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] TS02760 [0,0,0,0,0,0|3,0,1]=4 163 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,0,0,0,0,0|2,0,0]=2 164 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS10297 [0,0,0,0,0,0|3,0,1]=4 165 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] TS62964 [0,0,0,0,0,0|3,0,1]=4 166 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,0,0,0,0,0|1,0,0]=1 167 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,0,0,0,0,0|1,0,1]=2 168 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,0,0,0,0,0|1,0,1]=2 169 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,0,0,0,0,0|1,0,1]=2 170 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,0,0,0,0,0|1,0,0]=1 171 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [0,0,0,0,0,0|2,0,1]=3 172 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,0,0,0,0,0|1,0,0]=1 173 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,0,0,0,0,0|0,0,0]=0 174 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,0,0,0,0,0|4,0,0]=4 175 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,0,0,0,0,0|2,0,0]=2 178 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,0,0,0,0,0|3,0,0]=3 179 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,0,0,0,0,0|3,0,0]=3 180 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,0,0,0,0,0|1,0,0]=1 181 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)Cl TS45856 [0,0,0,0,0,0|3,0,1]=4 182 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)O TS41580 [0,0,0,0,0,0|2,0,1]=3 183 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [1,0,0,0,0,0|2,0,1]=4 186 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [1,0,0,0,0,0|2,0,1]=4 187 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [1,0,0,0,0,0|1,0,1]=3 189 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [1,0,0,0,0,0|1,1,1]=4 190 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,0,0,0,0,0|1,0,1]=3 207 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,0,0,0,0,0|1,0,0]=2 223 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,0,0,0,0,0|2,1,0]=4 224 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,0,0,0,0,0|2,0,0]=3 239 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [1,0,0,0,0,0|2,0,1]=4 254 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,0,0,0,0,0|1,0,1]=3 255 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,0,0,0,0,0|2,0,0]=3 272 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,0,0,0,0,0|2,0,0]=3 274 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,0,0,0,0,0|1,0,0]=2 275 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,0,0,0,0,0|1,0,0]=2 276 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,0,0,0,0,0|1,0,0]=2 278 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,0,0,0,0,0|1,0,0]=2 279 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,0,0,0,0,0|1,0,0]=2 280 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,0,0,0,0,0|1,0,0]=2 281 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,0,0,0,0,0|0,0,0]=1 282 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,0,0,0,0,0|0,1,0]=2 283 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,0,0,0,0,0|1,0,1]=3 284 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,0,0,0,0,0|1,0,1]=3 285 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,0,0,0,0,0|1,0,1]=3 286 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,0,0,0,0,0|0,0,1]=2 287 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,0,0,0,0,0|0,0,1]=2 288 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,0,0,0,0,0|2,1,0]=4 289 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,0,0,0,0,0|2,1,0]=4 290 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,0,0,0,0,0|2,1,0]=4 291 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,0,0,0,0,0|2,1,0]=4 292 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,0,0,0,0,0|1,1,0]=3 293 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,0,0,0,0,0|2,0,1]=4 300 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,0,0,0,0,0|2,0,1]=4 301 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,0,0,0,0,0|2,0,1]=4 302 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,0,0,0,0,0|1,0,1]=3 303 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,0,0,0,0,0|1,0,1]=3 304 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,0,0,0,0,0|1,1,1]=4 305 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,0,0,0,0,0|2,0,0]=3 314 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,0,0,0,0,0|1,0,0]=2 317 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,0,0,0,0,0|1,1,0]=3 318 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,0,0,0,0,0|2,0,0]=3 319 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,0,0,0,0,0|2,0,0]=3 322 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,0,0,0,0,0|2,0,0]=3 323 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,0,0,0,0,0|1,0,0]=2 324 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [1,0,0,0,0,0|2,0,1]=4 326 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [1,0,0,0,0,0|2,0,0]=3 329 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,0,0,0,0,0|1,0,1]=3 330 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,0,0,0,0,0|1,0,1]=3 332 B10R1.25 COc1ccc(cc1F)O TS02753 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.25 COc1ccc(cc1O)F TS07835 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.25 COc1ccc(cc1O)N TS37282 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.25 COc1ccc(cc1O)O TS06433 [1,0,0,0,0,0|2,0,0]=3 337 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,0,0,0,0,0|2,0,0]=3 340 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [1,0,0,0,0,0|2,0,0]=3 341 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [1,0,0,0,0,0|1,0,0]=2 342 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,0,0,0,0,0|2,0,1]=4 343 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,0,0,0,0,0|2,0,0]=3 347 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,0,0,0,0,0|2,0,0]=3 349 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,0,0,0,0,0|2,0,1]=4 350 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,0,0,0,0,0|2,0,0]=3 351 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,0,0,0,0,0|2,0,1]=4 352 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,0,0,0,0,0|1,0,0]=2 353 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [1,0,0,0,0,0|2,0,0]=3 360 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [1,0,0,0,0,0|2,0,0]=3 361 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,0,0,0,0,0|2,0,1]=4 362 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [1,0,0,0,0,0|2,0,1]=4 363 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,0,0,0,0,0|1,0,0]=2 364 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,0,0,0,0,0|1,0,1]=3 365 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,0,0,0,0,0|2,0,0]=3 366 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,0,0,0,0,0|2,0,1]=4 367 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [1,0,0,0,0,0|2,0,0]=3 368 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,0,0,0,0,0|2,0,1]=4 369 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,0,0,0,0,0|1,0,0]=2 370 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [1,0,0,0,0,0|2,0,0]=3 371 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,0,0,0,0,0|2,0,1]=4 372 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,0,0,0,0,0|2,0,1]=4 374 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,0,0,0,0,0|2,0,1]=4 376 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,0,0,0,0,0|1,0,0]=2 377 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [1,0,0,0,0,0|2,0,1]=4 380 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [1,0,0,0,0,0|1,0,0]=2 381 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [1,0,0,0,0,0|2,0,1]=4 382 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [1,0,0,0,0,0|1,0,0]=2 383 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [1,0,0,0,0,0|1,0,1]=3 384 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,0,0,0,0,0|0,0,0]=1 385 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,0,0,0,0,0|0,0,1]=2 386 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,0,0,0,0,0|1,0,0]=2 387 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [1,0,0,0,0,0|2,0,1]=4 391 B10R1.61 B(c1ccccc1C)(O)O TS02443 [1,0,0,0,0,0|2,0,1]=4 392 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [1,0,0,0,0,0|2,0,1]=4 393 B10R1.61 B(c1ccccc1F)(O)O TS37322 [1,0,0,0,0,0|2,0,1]=4 394 B10R1.61 B(c1ccccc1I)(O)O TS27680 [1,0,0,0,0,0|2,0,1]=4 395 B10R1.61 B(c1ccccc1N)(O)O TS45687 [1,0,0,0,0,0|2,0,1]=4 396 B10R1.61 B(c1ccccc1N)(O)O TS94617 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.61 B(c1ccccc1O)(O)O TS55396 [1,0,0,0,0,0|1,0,1]=3 398 B10R1.61 B(c1ccccc1S)(O)O TS94336 [1,0,0,0,0,0|1,1,1]=4 399 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,0,0,0,0,0|3,0,0]=4 400 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,0,0,0,0,0|3,0,0]=4 401 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,0,0,0,0,0|3,0,0]=4 402 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,0,0,0,0,0|2,0,0]=3 404 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,0,0,0,0,0|2,0,0]=3 405 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,0,0,0,0,0|2,0,0]=3 406 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,0,0,0,0,0|2,0,0]=3 407 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,0,0,0,0,0|2,0,0]=3 408 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,0,0,0,0,0|1,0,0]=2 409 B10R1.61 CC(=O)c1cccnc1Br TS18940 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.61 CC(=O)c1cccnc1F TS02616 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.61 CC(=O)c1cccnc1N TS08276 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,0,0,0,0,0|3,0,0]=4 415 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,0,0,0,0,0|3,0,0]=4 416 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,0,0,0,0,0|3,0,0]=4 417 B10R1.61 CC(=O)c1cnccc1F TS37273 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.61 CC(C)c1ccccc1O TS06094 [1,0,0,0,0,0|2,0,1]=4 419 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,0,0,0,0,0|2,0,1]=4 420 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,0,0,0,0,0|2,0,1]=4 421 B10R1.61 CC(c1ccccc1F)O TS08150 [1,0,0,0,0,0|2,0,1]=4 422 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [1,0,0,0,0,0|1,0,2]=4 423 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,0,0,0,0,0|2,0,0]=3 424 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,0,0,0,0,0|2,0,1]=4 425 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,0,0,0,0,0|2,0,1]=4 426 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,0,0,0,0,0|2,0,1]=4 427 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,0,0,0,0,0|2,0,1]=4 428 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,0,0,0,0,0|2,0,1]=4 429 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [1,0,0,0,0,0|2,0,0]=3 430 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [1,0,0,0,0,0|2,0,0]=3 431 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,0,0,0,0,0|2,0,0]=3 436 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [1,0,0,0,0,0|2,0,0]=3 437 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,0,0,0,0,0|2,0,0]=3 438 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,0,0,0,0,0|1,0,0]=2 439 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,0,0,0,0,0|2,1,0]=4 440 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,0,0,0,0,0|2,0,1]=4 441 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [1,0,0,0,0,0|2,0,1]=4 442 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,0,0,0,0,0|2,0,0]=3 443 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,0,0,0,0,0|2,0,0]=3 444 B10R1.61 Cc1ccncc1C(=O)O TS39766 [1,0,0,0,0,0|2,0,0]=3 445 B10R1.61 Cc1ccncc1C(=O)O TS71235 [1,0,0,0,0,0|2,0,0]=3 446 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.61 Cc1cnccc1C(=O)N TS02849 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,0,0,0,0,0|2,0,0]=3 449 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,0,0,0,0,0|2,0,0]=3 450 B10R1.61 Cc1cnncc1C(=O)O TS87483 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [1,0,0,0,0,0|3,0,0]=4 453 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [1,0,0,0,0,0|3,0,0]=4 454 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [1,0,0,0,0,0|3,0,0]=4 455 B10R1.61 c1c(c(ncn1)O)C(=O)N TS37260 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [1,0,0,0,0,0|2,0,0]=3 458 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [1,0,0,0,0,0|2,0,0]=3 460 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,0,0,0,0,0|2,0,0]=3 461 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,0,0,0,0,0|2,0,0]=3 462 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,0,0,0,0,0|2,0,0]=3 463 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,0,0,0,0,0|2,0,0]=3 464 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,0,0,0,0,0|2,0,0]=3 465 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,0,0,0,0,0|1,0,0]=2 466 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,0,0,0,0,0|1,1,0]=3 467 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [1,0,0,0,0,0|3,0,0]=4 468 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,0,0,0,0,0|3,0,0]=4 469 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [1,0,0,0,0,0|2,0,0]=3 470 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [1,0,0,0,0,0|2,0,0]=3 471 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [1,0,0,0,0,0|2,0,0]=3 472 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [1,0,0,0,0,0|3,0,0]=4 473 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,0,0,0,0,0|2,0,0]=3 474 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,0,0,0,0,0|2,0,0]=3 475 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [1,0,0,0,0,0|1,0,0]=2 476 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [1,0,0,0,0,0|2,0,1]=4 477 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [1,0,0,0,0,0|1,1,0]=3 478 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O TS02788 [1,0,0,0,0,0|2,0,1]=4 479 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,0,0,0,0,0|3,0,0]=4 480 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [1,0,0,0,0,0|2,0,0]=3 481 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,0,0,0,0,0|2,0,0]=3 482 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [1,0,0,0,0,0|2,0,0]=3 483 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [1,0,0,0,0,0|2,0,0]=3 484 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,0,0,0,0,0|2,0,0]=3 485 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,0,0,0,0,0|2,0,0]=3 486 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,0,0,0,0,0|2,0,0]=3 487 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,0,0,0,0,0|2,0,0]=3 488 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,0,0,0,0,0|2,0,0]=3 489 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,0,0,0,0,0|1,0,0]=2 490 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,0,0,0,0,0|1,0,0]=2 491 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,0,0,0,0,0|1,0,0]=2 492 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,0,0,0,0,0|1,0,0]=2 493 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,0,0,0,0,0|1,0,0]=2 494 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,0,0,0,0,0|0,0,0]=1 495 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,0,0,0,0,0|0,0,0]=1 496 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,0,0,0,0,0|0,0,0]=1 497 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,0,0,0,0,0|0,1,0]=2 498 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [1,0,0,0,0,0|1,0,1]=3 499 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,0,0,0,0,0|1,0,1]=3 500 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,0,0,0,0,0|1,0,1]=3 501 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,0,0,0,0,0|0,0,1]=2 502 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,0,0,0,0,0|0,0,1]=2 503 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,0,0,0,0,0|0,0,1]=2 504 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,0,0,0,0,0|0,0,1]=2 505 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,0,0,0,0,0|0,0,1]=2 506 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,0,0,0,0,0|0,0,1]=2 507 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,0,0,0,0,0|0,0,1]=2 508 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,0,0,0,0,0|0,0,1]=2 509 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,0,0,0,0,0|0,0,1]=2 510 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,0,0,0,0,0|0,0,1]=2 511 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [1,0,0,0,0,0|0,1,1]=3 512 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,0,0,0,0,0|2,1,0]=4 513 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,0,0,0,0,0|2,1,0]=4 514 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,0,0,0,0,0|2,1,0]=4 515 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,0,0,0,0,0|2,1,0]=4 516 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,0,0,0,0,0|1,1,0]=3 517 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [1,0,0,0,0,0|2,0,1]=4 518 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [1,0,0,0,0,0|2,0,1]=4 519 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [1,0,0,0,0,0|2,0,1]=4 520 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [1,0,0,0,0,0|2,0,1]=4 521 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [1,0,0,0,0,0|2,0,1]=4 522 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [1,0,0,0,0,0|2,0,1]=4 523 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,0,0,0,0,0|1,0,1]=3 524 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,0,0,0,0,0|1,0,1]=3 525 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [1,0,0,0,0,0|1,1,1]=4 526 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [1,0,0,0,0,0|3,0,0]=4 527 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [1,0,0,0,0,0|3,0,0]=4 528 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [1,0,0,0,0,0|3,0,0]=4 529 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [1,0,0,0,0,0|2,0,0]=3 530 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [1,0,0,0,0,0|2,0,0]=3 531 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [1,0,0,0,0,0|3,0,0]=4 532 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,0,0,0,0,0|2,0,0]=3 533 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,0,0,0,0,0|2,0,0]=3 534 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,0,0,0,0,0|2,0,0]=3 535 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,0,0,0,0,0|2,0,0]=3 536 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,0,0,0,0,0|2,0,0]=3 537 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,0,0,0,0,0|2,0,0]=3 538 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,0,0,0,0,0|2,0,0]=3 539 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,0,0,0,0,0|2,0,0]=3 540 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,0,0,0,0,0|1,0,0]=2 541 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [1,0,0,0,0,0|2,0,0]=3 542 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [1,0,0,0,0,0|2,0,0]=3 543 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [1,0,0,0,0,0|3,0,0]=4 544 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,0,0,0,0,0|2,0,0]=3 545 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,0,0,0,0,0|2,0,0]=3 546 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [1,0,0,0,0,0|1,0,0]=2 547 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [1,0,0,0,0,0|2,0,1]=4 548 B10R1.61 c1cncc(c1[N+](=O)[O-])O TS06414 [1,0,0,0,0,0|2,0,1]=4 549 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [1,0,0,0,0,0|3,0,0]=4 550 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [1,0,0,0,0,0|3,0,0]=4 551 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O TS03052 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.57 B(c1ccc(cc1OC)F)(O)O TS59615 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.57 COc1cc(ccc1C(=O)O)Br TS59606 [0,1,0,0,0,0|1,0,0]=2 555 B12R1.57 COc1cc(ccc1C(=O)O)Cl TS01848 [0,1,0,0,0,0|1,0,0]=2 556 B12R1.57 COc1cc(ccc1C(=O)O)F TS59614 [0,1,0,0,0,0|1,0,0]=2 557 B12R1.57 COc1cc(ccc1C(=O)O)N TS01091 [0,1,0,0,0,0|1,0,0]=2 558 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl TS03256 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F TS03304 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.57 COc1cc(ncc1[N+](=O)[O-])O TS12758 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.57 Cc1ccc(c(c1)CO)[N+](=O)[O-] TS43215 [0,1,0,0,0,0|2,0,1]=4 562 B12R1.57 Cc1ccc(c(c1)OC)C(=O)O TS71229 [0,1,0,0,0,0|1,0,0]=2 563 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] TS08709 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.57 c1cc(c(cc1Cl)CO)[N+](=O)[O-] TS50618 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.57 c1cc(c(cc1O)C#N)[N+](=O)[O-] TS11801 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.57 c1cc(c(cc1O)C=O)[N+](=O)[O-] TS03329 [0,1,0,0,0,0|1,0,2]=4 567 B12R1.57 c1cc(c(cc1O)CO)[N+](=O)[O-] TS12644 [0,1,0,0,0,0|1,0,1]=3 568 B12R1.126 Cc1cc(ccc1S(=O)(=O)O)N TS50556 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)O TS48909 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.126 c1cc(c(cc1N)N)S(=O)(=O)O TS15962 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F TS39128 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F TS17188 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.232 CC(=O)c1cc(c(cc1F)F)F TS65321 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O TS00007 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F TS02220 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.232 Cc1cc(c(cc1C(=O)O)I)C TS31072 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.232 Cc1cc(c(cc1C)C(=O)O)C TS11857 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.232 Cc1cc(c(cc1Cl)N)C(=O)O TS48790 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])O TS50614 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.232 Cc1cc(c(cc1F)C(=O)Cl)F TS17187 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F TS02134 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O TS02127 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.232 Cc1cc(c(cc1O)C(=O)O)Cl TS32912 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.232 c1c(c(cc(c1Br)Br)F)C(=O)O TS55992 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.232 c1c(c(cc(c1Br)Br)N)C(=O)O TS65026 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O TS07817 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS25324 [0,1,0,0,0,0|0,0,0]=1 593 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O TS28135 [0,1,0,0,0,0|0,0,0]=1 594 B12R1.232 c1c(c(cc(c1Cl)Br)Cl)C(=O)O TS16759 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.232 c1c(c(cc(c1Cl)Br)N)C(=O)O TS93347 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.232 c1c(c(cc(c1Cl)Cl)Cl)C(=O)O TS24051 [0,1,0,0,0,0|2,0,0]=3 597 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O TS02899 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O TS09827 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)Cl TS74182 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O TS60382 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl TS24412 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N TS20479 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O TS00605 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)Cl TS43929 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O TS59509 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O TS16836 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)Cl TS43931 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O TS00873 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl TS17960 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)N TS45907 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O TS00582 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)[O-] TS53952 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O TS34691 [0,1,0,0,0,0|2,0,0]=3 614 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O TS02906 [0,1,0,0,0,0|2,0,0]=3 615 B12R1.232 c1c(c(cc(c1F)F)O)[N+](=O)[O-] TS45897 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.232 c1c(c(cc(c1F)N)F)C(=O)O TS65116 [0,1,0,0,0,0|2,0,0]=3 617 B12R1.232 c1c(c(cc(c1F)O)F)[N+](=O)[O-] TS13634 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.232 c1c(c(cc(c1N)Cl)O)C(=O)O TS50619 [0,1,0,0,0,0|1,0,0]=2 619 B12R1.232 c1c(c(cc(c1O)O)O)C(=O)O TS12755 [0,1,0,0,0,0|0,0,0]=1 620 B12R1.232 c1c(c(cc(c1[N+](=O)[O-])O)O)N TS39102 [0,1,0,0,0,0|1,0,1]=3 621 B12R1.232 c1c(c(nc(c1F)Cl)Cl)C(=O)O TS43716 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.232 c1c(c(nc(c1F)F)F)C(=O)O TS46218 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.452 B(c1ccc(cc1C)OC)(O)O TS32643 [0,1,0,0,0,0|2,0,1]=4 624 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O TS55225 [0,1,0,0,0,0|2,0,1]=4 625 B12R1.452 B(c1ccc(cc1F)OC)(O)O TS55338 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,1,0,0,0,0|1,0,0]=2 629 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [0,1,0,0,0,0|1,0,0]=2 631 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [0,1,0,0,0,0|1,0,0]=2 632 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [0,1,0,0,0,0|1,0,0]=2 634 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] TS02761 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] TS54202 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [0,1,0,0,0,0|2,0,0]=3 637 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] TS03354 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,1,0,0,0,0|1,0,0]=2 640 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,1,0,0,0,0|0,0,0]=1 641 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [0,1,0,0,0,0|1,0,1]=3 642 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])CO TS12366 [0,1,0,0,0,0|2,0,1]=4 644 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC TS39450 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.452 c1cc(c(cc1C#N)O)[N+](=O)[O-] TS70613 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] TS65088 [0,1,0,0,0,0|1,0,2]=4 648 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl TS50370 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.893 CC(=O)c1ccc(c(c1F)F)F TS65297 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,1,0,0,0,0|1,0,0]=2 651 B12R1.893 Cc1c(c(ccc1C(=O)O)N)C TS65115 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.893 Cc1c(c(ccc1[N+](=O)[O-])O)C TS43221 [0,1,0,0,0,0|2,0,1]=4 653 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F TS17189 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F TS09230 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O TS60318 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,1,0,0,0,0|1,0,0]=2 657 B12R1.893 Cc1ccc(c(c1Br)N)C(=O)O TS22757 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.893 Cc1ccc(c(c1C)I)C(=O)O TS31075 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O TS09263 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.893 Cc1ccc(c(c1F)C)C(=O)O TS44852 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C TS45099 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl TS17191 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N TS12968 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O TS45420 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.893 Cc1ccc(c(c1I)N)C(=O)O TS47367 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.893 c1c(c(c(c(n1)F)F)Cl)C(=O)O TS86152 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F TS09345 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F TS17958 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F TS45908 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F TS65373 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)Cl TS24050 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F TS02327 [0,1,0,0,0,0|2,0,0]=3 673 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F TS09343 [0,1,0,0,0,0|2,0,0]=3 674 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br TS02331 [0,1,0,0,0,0|2,0,0]=3 675 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl TS39479 [0,1,0,0,0,0|2,0,0]=3 676 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F TS00534 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)I TS34692 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)N TS39461 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O TS02333 [0,1,0,0,0,0|1,0,0]=2 680 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F TS09229 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O TS12754 [0,1,0,0,0,0|0,0,0]=1 682 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F TS53951 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])Cl)Cl)O TS40016 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.893 c1cc(c(c(c1[N+](=O)[O-])O)F)F TS45898 [0,1,0,0,0,0|2,0,1]=4 685 B12R1.1000 B(c1c(cc(cc1Cl)Cl)O)(O)O TS20301 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F TS47328 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,1,0,0,0,0|1,0,0]=2 688 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,1,0,0,0,0|1,0,0]=2 689 B12R1.1000 Cc1cc(=O)oc(c1C(=O)O)C TS44812 [0,1,0,0,0,0|2,0,1]=4 690 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C TS11596 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C TS07909 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)N)C TS42595 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C TS07908 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)O TS44819 [0,1,0,0,0,0|1,0,0]=2 696 B12R1.1000 Cc1cc(c(c(c1)O)[N+](=O)[O-])O TS12641 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)O)O TS12652 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.1000 Cc1cc(cc(c1C(=O)Cl)C)F TS48994 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.1000 Cc1cc(cc(c1C(=O)N)Cl)Cl TS19673 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F TS09254 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)O TS09130 [0,1,0,0,0,0|1,0,0]=2 702 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O TS12486 [0,1,0,0,0,0|0,0,0]=1 703 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)C TS15510 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.1000 Cc1cc(nc(c1C(=O)O)Cl)Cl TS86933 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.1000 Cc1cc(nc(c1C(=O)O)N)C TS43073 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.1000 c1c(cc(c(c1Br)C(=O)O)Br)Br TS66331 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl TS00593 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl TS00592 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F TS17963 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)F TS45903 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br TS01845 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F TS00596 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O TS65360 [0,1,0,0,0,0|1,0,0]=2 714 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl TS38922 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.1000 c1c(cc(c(c1N)C(=O)O)F)F TS32777 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])F)F TS45896 [0,1,0,0,0,0|2,0,1]=4 717 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])O)O TS45254 [0,1,0,0,0,0|1,0,1]=3 718 B12R1.1703 CC(=NO)c1ccc(cc1Cl)Cl TS19674 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.1703 CC(=NO)c1ccc(cc1O)O TS12367 [0,1,0,0,0,0|1,0,0]=2 720 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,1,0,0,0,0|2,0,0]=3 725 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,1,0,0,0,0|1,0,0]=2 726 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,1,0,0,0,0|2,0,0]=3 729 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,1,0,0,0,0|2,0,0]=3 730 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,1,0,0,0,0|2,0,0]=3 731 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,1,0,0,0,0|1,0,0]=2 732 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,1,0,0,0,0|2,0,0]=3 733 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,1,0,0,0,0|1,0,0]=2 737 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,1,0,0,0,0|1,0,0]=2 738 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,1,0,0,0,0|0,0,0]=1 739 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,1,0,0,0,0|1,0,0]=2 750 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.1703 c1cc(c(cc1Br)Br)C(=O)CBr TS79366 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=NO)Cl TS23901 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.1703 c1cc(c(cc1Cl)O)C(=O)NO TS50612 [0,1,0,0,0,0|1,0,0]=2 761 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,1,0,0,0,0|2,0,1]=4 762 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr TS25674 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl TS65390 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.1703 c1cc(c(cc1F)F)C(=O)CO TS45419 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN TS45422 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,1,0,0,0,0|1,0,0]=2 769 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [0,1,0,0,0,0|1,0,0]=2 770 B12R2.612 Cc1c2ccc(cc2[nH]n1)O TS55602 [0,0,0,1,0,0|3,0,0]=4 771 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,0,0,1,0,0|3,0,0]=4 772 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,0,0,1,0,0|3,0,0]=4 773 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,0,0,1,0,0|3,0,0]=4 774 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,0,0,1,0,0|3,0,0]=4 775 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,0,0,1,0,0|2,0,0]=3 776 B12R2.612 Cc1ccc2c(c1)[nH]nc2O TS40615 [0,0,0,1,0,0|3,0,0]=4 777 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,0,0,1,0,0|3,0,0]=4 778 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,0,0,1,0,0|3,0,0]=4 779 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,0,0,1,0,0|3,0,0]=4 780 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,0,0,1,0,0|3,0,0]=4 781 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,0,0,1,0,0|2,0,0]=3 782 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,0,0,1,0,0|2,0,0]=3 783 B12R2.612 c1cc2c(cc1Br)[nH]nc2O TS09157 [0,0,0,1,0,0|3,0,0]=4 784 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,0,0,1,0,0|3,0,0]=4 785 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,0,0,1,0,0|3,0,0]=4 786 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,0,0,1,0,0|2,0,0]=3 787 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,0,0,1,0,0|2,0,0]=3 788 B12R2.612 c1cc2c(cc1Cl)[nH]nc2O TS44938 [0,0,0,1,0,0|3,0,0]=4 789 B12R2.612 c1cc2c(cc1Cl)onc2O TS85119 [0,0,0,1,0,0|2,0,0]=3 790 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,0,0,1,0,0|3,0,0]=4 791 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,0,0,1,0,0|2,0,0]=3 792 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,0,0,1,0,0|2,0,0]=3 793 B12R2.612 c1cc2c(cc1F)[nH]nc2O TS41097 [0,0,0,1,0,0|3,0,0]=4 794 B12R2.612 c1cc2c(cc1F)non2=O TS10379 [0,0,0,1,0,0|3,0,0]=4 795 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,0,0,1,0,0|3,0,0]=4 796 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,0,0,1,0,0|2,0,0]=3 797 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,0,0,1,0,0|3,0,0]=4 798 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,0,0,1,0,0|3,0,0]=4 799 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,0,0,1,0,0|2,0,0]=3 800 B12R2.612 c1cc2c(cc1N)[nH]nc2O TS07551 [0,0,0,1,0,0|3,0,0]=4 801 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,0,0,1,0,0|2,0,0]=3 802 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,0,0,1,0,0|1,0,0]=2 803 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,0,0,1,0,0|1,0,0]=2 804 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,0,0,0,1,0|3,0,0]=4 805 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O TS07701 [0,0,0,0,1,0|3,0,0]=4 806 B10R1.59 Cc1cc(c(o1)C)C(=O)O TS47273 [0,0,0,0,1,0|3,0,0]=4 807 B10R1.59 Cc1cc(c(s1)C)C(=O)O TS41628 [0,0,0,0,1,0|3,0,0]=4 808 B10R1.59 Cc1cc(c(s1)Cl)C(=O)O TS13944 [0,0,0,0,1,0|3,0,0]=4 809 B10R1.59 c1c(c(sc1Br)Br)C(=O)O TS54881 [0,0,0,0,1,0|3,0,0]=4 810 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O TS00669 [0,0,0,0,1,0|3,0,0]=4 811 B10R1.194 Cc1c(csc1C(=O)O)Br TS49901 [0,0,0,0,1,0|3,0,0]=4 812 B10R1.194 Cc1c[nH]c(c1C)C(=O)O TS87260 [0,0,0,0,1,0|3,0,0]=4 813 B10R1.194 c1c(c(c([nH]1)C(=O)O)F)F TS89314 [0,0,0,0,1,0|3,0,0]=4 814 B10R1.194 c1c(c(c(s1)Cl)Cl)C(=O)O TS18405 [0,0,0,0,1,0|3,0,0]=4 815 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,0,0,0,0,1|3,0,0]=4 816 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,0,0,0,0,1|3,0,0]=4 817 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,0,0,0,0,1|3,0,0]=4 818 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,0,0,0,0,1|3,0,0]=4 819 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,0,0,0,0,1|3,0,0]=4 820 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,0,0,0,0,1|3,0,0]=4 821 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,0,0,0,0,1|3,0,0]=4 822 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,0,0,0,0,1|3,0,0]=4 823 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,0,0,0,0,1|3,0,0]=4 824 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,0,0,0,0,1|3,0,0]=4 825 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,0,0,0,0,1|3,0,0]=4 826 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,0,0,0,0,1|3,0,0]=4 827 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,0,0,0,0,1|3,0,0]=4 828 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,0,0,0,0,1|2,0,0]=3 829 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,0,0,0,0,1|3,0,0]=4 830 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,0,0,0,0,1|3,0,0]=4 831 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,0,0,0,0,1|3,0,0]=4 832 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,0,0,0,0,1|3,0,0]=4 833 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,0,0,0,0,1|3,0,0]=4 834 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,0,0,0,0,1|3,0,0]=4 835 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,0,0,0,0,1|3,0,0]=4 836 B12R1.233 c1c(c(cnc1Cl)CC(=O)O)Cl TS20081 [0,0,0,0,0,1|3,0,0]=4 837 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br TS25005 [0,0,0,0,0,1|3,0,0]=4 838 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,0,0,0,0,1|2,0,0]=3 839 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,0,0,0,0,1|2,0,0]=3 840 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,0,0,0,0,1|3,0,0]=4 841 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,0,0,0,0,1|2,0,0]=3 842 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,0,0,0,0,1|3,0,0]=4 843 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,0,0,0,0,1|2,0,0]=3 844 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,0,0,0,0,1|2,0,0]=3 845 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,0,0,0,0,1|2,0,0]=3 846 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,0,0,0,0,1|2,0,0]=3 847 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,0,0,0,0,1|2,0,0]=3 848 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,0,0,0,0,1|1,0,0]=2 849 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|1,0,1]=4 850 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|2,0,0]=4 851 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|2,0,0]=4 852 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|2,0,0]=4 853 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|2,0,0]=4 854 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,0]=3 855 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,1]=4 856 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 857 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 858 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|2,0,0]=4 859 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|2,0,0]=4 860 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|2,0,0]=4 861 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|1,0,0]=3 862 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|1,0,1]=4 863 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|2,0,0]=4 864 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|2,0,0]=4 865 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 866 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 867 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 868 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 869 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 870 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 871 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 872 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|0,0,0]=2 873 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|0,0,0]=2 874 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,1]=4 875 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,1]=4 876 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,1]=4 877 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|1,0,1]=4 878 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|1,0,1]=4 879 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|1,0,1]=4 880 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|1,0,1]=4 881 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|1,0,1]=4 882 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|0,0,1]=3 883 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|0,1,1]=4 884 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|1,0,0]=3 885 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 886 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 887 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 888 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 889 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 890 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|1,0,0]=3 891 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 892 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 893 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|1,0,0]=3 894 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|1,0,1]=4 895 B9R1.6 B(c1ccccc1)(O)O TS59339 [2,0,0,0,0,0|1,0,1]=4 896 B9R1.6 C=C(c1ccccc1)Br TS48375 [2,0,0,0,0,0|2,0,0]=4 897 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [2,0,0,0,0,0|2,0,0]=4 898 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|2,0,0]=4 899 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|1,0,0]=3 900 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|1,0,0]=3 901 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|1,0,0]=3 902 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|1,0,0]=3 903 B9R1.6 CC(=O)c1ccccn1 TS04861 [2,0,0,0,0,0|2,0,0]=4 904 B9R1.6 CC(=O)c1cccnc1 TS65831 [2,0,0,0,0,0|2,0,0]=4 905 B9R1.6 CC(=O)c1ccncc1 TS02952 [2,0,0,0,0,0|2,0,0]=4 906 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|1,0,1]=4 907 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|1,0,1]=4 908 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|1,0,1]=4 909 B9R1.6 c1c(cncn1)C(=O)O TS11330 [2,0,0,0,0,0|2,0,0]=4 910 B9R1.6 c1c(cncn1)C(=O)O TS88781 [2,0,0,0,0,0|2,0,0]=4 911 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [2,0,0,0,0,0|2,0,0]=4 912 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [2,0,0,0,0,0|2,0,0]=4 913 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [2,0,0,0,0,0|2,0,0]=4 914 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [2,0,0,0,0,0|2,0,0]=4 915 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [2,0,0,0,0,0|2,0,0]=4 916 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [2,0,0,0,0,0|1,0,0]=3 917 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [2,0,0,0,0,0|1,0,1]=4 918 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [2,0,0,0,0,0|1,0,1]=4 919 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [2,0,0,0,0,0|1,0,1]=4 920 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [2,0,0,0,0,0|1,1,0]=4 921 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [2,0,0,0,0,0|2,0,0]=4 922 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [2,0,0,0,0,0|2,0,0]=4 923 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [2,0,0,0,0,0|2,0,0]=4 924 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [2,0,0,0,0,0|2,0,0]=4 925 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [2,0,0,0,0,0|1,0,0]=3 926 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [2,0,0,0,0,0|1,0,0]=3 927 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [2,0,0,0,0,0|1,0,0]=3 928 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [2,0,0,0,0,0|1,0,0]=3 929 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [2,0,0,0,0,0|0,0,0]=2 930 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [2,0,0,0,0,0|0,0,0]=2 931 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [2,0,0,0,0,0|0,0,0]=2 932 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [2,0,0,0,0,0|0,0,0]=2 933 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [2,0,0,0,0,0|0,0,0]=2 934 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [2,0,0,0,0,0|0,0,1]=3 935 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [2,0,0,0,0,0|0,0,1]=3 936 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [2,0,0,0,0,0|0,0,1]=3 937 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [2,0,0,0,0,0|0,0,1]=3 938 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [2,0,0,0,0,0|0,0,1]=3 939 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [2,0,0,0,0,0|1,1,0]=4 940 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [2,0,0,0,0,0|0,1,0]=3 941 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [2,0,0,0,0,0|1,0,1]=4 942 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [2,0,0,0,0,0|1,0,0]=3 943 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [2,0,0,0,0,0|1,0,1]=4 944 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [2,0,0,0,0,0|1,0,1]=4 945 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [2,0,0,0,0,0|1,0,1]=4 946 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [2,0,0,0,0,0|1,0,1]=4 947 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [2,0,0,0,0,0|1,0,1]=4 948 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [2,0,0,0,0,0|2,0,0]=4 949 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [2,0,0,0,0,0|2,0,0]=4 950 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [2,0,0,0,0,0|1,0,0]=3 951 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [2,0,0,0,0,0|1,0,1]=4 952 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [2,0,0,0,0,0|1,0,1]=4 953 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [2,0,0,0,0,0|1,0,1]=4 954 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [2,0,0,0,0,0|1,0,1]=4 955 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [2,0,0,0,0,0|1,0,1]=4 956 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [2,0,0,0,0,0|2,0,0]=4 957 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [2,0,0,0,0,0|2,0,0]=4 958 B9R1.6 c1cnccc1C(=O)Cl TS46358 [2,0,0,0,0,0|2,0,0]=4 959 B9R1.6 c1cnccc1C(=O)N TS74511 [2,0,0,0,0,0|2,0,0]=4 960 B9R1.6 c1cnccc1C(=O)O TS01508 [2,0,0,0,0,0|1,0,0]=3 961 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [2,0,0,0,0,0|1,0,1]=4 962 B9R1.6 c1cncnc1C(=O)O TS90236 [2,0,0,0,0,0|2,0,0]=4 963 B9R1.6 c1cnncc1C(=O)O TS59368 [2,0,0,0,0,0|2,0,0]=4 964 B9R1.15 C#Cc1ccccc1O TS55318 [2,0,0,0,0,0|1,0,1]=4 965 B9R1.15 C=Cc1ccccc1Br TS55173 [2,0,0,0,0,0|2,0,0]=4 966 B9R1.15 C=Cc1ccccc1Cl TS00968 [2,0,0,0,0,0|2,0,0]=4 967 B9R1.15 C=Cc1ccccc1F TS32504 [2,0,0,0,0,0|2,0,0]=4 968 B9R1.15 C=Cc1ccccc1I TS24807 [2,0,0,0,0,0|2,0,0]=4 969 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|1,0,1]=4 970 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|2,0,0]=4 971 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|2,0,0]=4 972 B9R1.15 Cc1c(cccn1)C=O TS02436 [2,0,0,0,0,0|2,0,0]=4 973 B9R1.15 Cc1ccccc1C=C TS02453 [2,0,0,0,0,0|2,0,0]=4 974 B9R1.15 Cc1ccccc1C=O TS04808 [2,0,0,0,0,0|1,0,0]=3 975 B9R1.15 Cc1ccccc1CO TS04907 [2,0,0,0,0,0|1,0,1]=4 976 B9R1.15 Cc1cccnc1C=O TS70677 [2,0,0,0,0,0|2,0,0]=4 977 B9R1.15 Cc1ccncc1C=O TS32454 [2,0,0,0,0,0|2,0,0]=4 978 B9R1.15 Cc1cnccc1C=O TS02833 [2,0,0,0,0,0|2,0,0]=4 979 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [2,0,0,0,0,0|2,0,0]=4 980 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [2,0,0,0,0,0|2,0,0]=4 981 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [2,0,0,0,0,0|2,0,0]=4 982 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [2,0,0,0,0,0|2,0,0]=4 983 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [2,0,0,0,0,0|1,0,0]=3 984 B9R1.15 c1cc(c(nc1)CO)O TS55400 [2,0,0,0,0,0|1,0,1]=4 985 B9R1.15 c1cc(c(nc1)CO)O TS70604 [2,0,0,0,0,0|1,0,1]=4 986 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [2,0,0,0,0,0|2,0,0]=4 987 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [2,0,0,0,0,0|2,0,0]=4 988 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [2,0,0,0,0,0|1,0,0]=3 989 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [2,0,0,0,0,0|1,0,1]=4 990 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [2,0,0,0,0,0|1,0,0]=3 991 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [2,0,0,0,0,0|1,0,0]=3 992 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [2,0,0,0,0,0|1,0,0]=3 993 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [2,0,0,0,0,0|1,0,0]=3 994 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [2,0,0,0,0,0|1,0,0]=3 995 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [2,0,0,0,0,0|1,0,0]=3 996 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [2,0,0,0,0,0|0,0,0]=2 997 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [2,0,0,0,0,0|1,0,1]=4 998 B9R1.15 c1ccc(c(c1)CN)O TS04954 [2,0,0,0,0,0|1,0,1]=4 999 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [2,0,0,0,0,0|1,0,1]=4 1000 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [2,0,0,0,0,0|1,0,1]=4 1001 B9R1.15 c1ccc(c(c1)CO)F TS36110 [2,0,0,0,0,0|1,0,1]=4 1002 B9R1.15 c1ccc(c(c1)CO)I TS01080 [2,0,0,0,0,0|1,0,1]=4 1003 B9R1.15 c1ccc(c(c1)CO)N TS47468 [2,0,0,0,0,0|1,0,1]=4 1004 B9R1.15 c1ccc(c(c1)CO)O TS32604 [2,0,0,0,0,0|0,0,1]=3 1005 B9R1.15 c1ccc(c(c1)CO)S TS37394 [2,0,0,0,0,0|0,1,1]=4 1006 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [2,0,0,0,0,0|2,0,0]=4 1007 B9R1.15 c1cncc(c1Br)C=O TS09580 [2,0,0,0,0,0|2,0,0]=4 1008 B9R1.15 c1cncc(c1C=O)Br TS48819 [2,0,0,0,0,0|2,0,0]=4 1009 B9R1.15 c1cncc(c1C=O)Cl TS02716 [2,0,0,0,0,0|2,0,0]=4 1010 B9R1.15 c1cncc(c1C=O)F TS36047 [2,0,0,0,0,0|2,0,0]=4 1011 B9R1.15 c1cncc(c1C=O)N TS32500 [2,0,0,0,0,0|2,0,0]=4 1012 B9R1.15 c1cncc(c1C=O)O TS02800 [2,0,0,0,0,0|1,0,0]=3 1013 B9R1.15 c1cncc(c1CO)O TS05089 [2,0,0,0,0,0|1,0,1]=4 1014 B9R1.15 c1cncc(c1Cl)C=O TS09675 [2,0,0,0,0,0|2,0,0]=4 1015 B9R1.15 c1cncc(c1F)C=O TS33163 [2,0,0,0,0,0|2,0,0]=4 1016 B9R1.15 c1cncc(c1N)C=O TS70883 [2,0,0,0,0,0|2,0,0]=4 1017 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [2,0,0,0,0,0|1,0,1]=4 1018 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [2,0,0,0,0,0|1,0,1]=4 1019 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [2,0,0,0,0,0|1,0,1]=4 1020 B9R1.69 Cc1cc(ccc1Br)O TS09587 [2,0,0,0,0,0|2,0,0]=4 1021 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [2,0,0,0,0,0|2,0,0]=4 1022 B9R1.69 Cc1cc(ccc1F)O TS71121 [2,0,0,0,0,0|2,0,0]=4 1023 B9R1.69 Cc1cc(ccc1N)O TS02998 [2,0,0,0,0,0|2,0,0]=4 1024 B9R1.69 Cc1cc(ccc1O)Br TS01121 [2,0,0,0,0,0|2,0,0]=4 1025 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [2,0,0,0,0,0|2,0,0]=4 1026 B9R1.69 Cc1cc(ccc1O)F TS09704 [2,0,0,0,0,0|2,0,0]=4 1027 B9R1.69 Cc1cc(ccc1O)I TS53550 [2,0,0,0,0,0|2,0,0]=4 1028 B9R1.69 Cc1cc(ccc1O)N TS08867 [2,0,0,0,0,0|2,0,0]=4 1029 B9R1.69 Cc1cc(ccc1O)O TS32600 [2,0,0,0,0,0|1,0,0]=3 1030 B9R1.69 Cc1cc(ccc1O)S TS70667 [2,0,0,0,0,0|1,1,0]=4 1031 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [2,0,0,0,0,0|2,0,0]=4 1032 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [2,0,0,0,0,0|2,0,0]=4 1033 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [2,0,0,0,0,0|2,0,0]=4 1034 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [2,0,0,0,0,0|2,0,0]=4 1035 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [2,0,0,0,0,0|2,0,0]=4 1036 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [2,0,0,0,0,0|1,0,1]=4 1037 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [2,0,0,0,0,0|2,0,0]=4 1038 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [2,0,0,0,0,0|2,0,0]=4 1039 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [2,0,0,0,0,0|2,0,0]=4 1040 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [2,0,0,0,0,0|1,0,0]=3 1041 B9R1.69 Cc1ccc(cc1C)O TS00123 [2,0,0,0,0,0|1,0,1]=4 1042 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [2,0,0,0,0,0|1,0,1]=4 1043 B9R1.69 Cc1ccc(cc1F)O TS02758 [2,0,0,0,0,0|1,0,1]=4 1044 B9R1.69 Cc1ccc(cc1N)O TS65470 [2,0,0,0,0,0|1,0,1]=4 1045 B9R1.69 Cc1ccc(cc1O)Br TS09797 [2,0,0,0,0,0|1,0,1]=4 1046 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [2,0,0,0,0,0|1,0,1]=4 1047 B9R1.69 Cc1ccc(cc1O)F TS65133 [2,0,0,0,0,0|1,0,1]=4 1048 B9R1.69 Cc1ccc(cc1O)O TS65139 [2,0,0,0,0,0|0,0,1]=3 1049 B9R1.69 c1c(c(nc(n1)O)O)O TS05308 [2,0,0,0,0,0|2,0,0]=4 1050 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [2,0,0,0,0,0|2,0,0]=4 1051 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [2,0,0,0,0,0|2,0,0]=4 1052 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [2,0,0,0,0,0|2,0,0]=4 1053 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [2,0,0,0,0,0|2,0,0]=4 1054 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [2,0,0,0,0,0|2,0,0]=4 1055 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [2,0,0,0,0,0|2,0,0]=4 1056 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [2,0,0,0,0,0|2,0,0]=4 1057 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [2,0,0,0,0,0|2,0,0]=4 1058 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [2,0,0,0,0,0|2,0,0]=4 1059 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [2,0,0,0,0,0|1,0,0]=3 1060 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [2,0,0,0,0,0|2,0,0]=4 1061 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [2,0,0,0,0,0|2,0,0]=4 1062 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [2,0,0,0,0,0|2,0,0]=4 1063 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [2,0,0,0,0,0|2,0,0]=4 1064 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [2,0,0,0,0,0|2,0,0]=4 1065 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [2,0,0,0,0,0|2,0,0]=4 1066 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [2,0,0,0,0,0|2,0,0]=4 1067 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [2,0,0,0,0,0|2,0,0]=4 1068 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [2,0,0,0,0,0|2,0,0]=4 1069 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [2,0,0,0,0,0|1,0,0]=3 1070 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [2,0,0,0,0,0|2,0,0]=4 1071 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [2,0,0,0,0,0|2,0,0]=4 1072 B9R1.69 c1cc(c(cc1F)F)O TS00636 [2,0,0,0,0,0|2,0,0]=4 1073 B9R1.69 c1cc(c(cc1F)N)O TS00753 [2,0,0,0,0,0|2,0,0]=4 1074 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [2,0,0,0,0,0|2,0,0]=4 1075 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [2,0,0,0,0,0|2,0,0]=4 1076 B9R1.69 c1cc(c(cc1F)O)F TS36449 [2,0,0,0,0,0|2,0,0]=4 1077 B9R1.69 c1cc(c(cc1F)O)N TS36211 [2,0,0,0,0,0|2,0,0]=4 1078 B9R1.69 c1cc(c(cc1F)O)O TS39506 [2,0,0,0,0,0|1,0,0]=3 1079 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [2,0,0,0,0,0|2,0,0]=4 1080 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [2,0,0,0,0,0|2,0,0]=4 1081 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [2,0,0,0,0,0|2,0,0]=4 1082 B9R1.69 c1cc(c(cc1N)F)O TS02963 [2,0,0,0,0,0|2,0,0]=4 1083 B9R1.69 c1cc(c(cc1N)I)O TS25670 [2,0,0,0,0,0|2,0,0]=4 1084 B9R1.69 c1cc(c(cc1N)N)O TS53804 [2,0,0,0,0,0|2,0,0]=4 1085 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [2,0,0,0,0,0|2,0,0]=4 1086 B9R1.69 c1cc(c(cc1N)O)O TS20087 [2,0,0,0,0,0|1,0,0]=3 1087 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [2,0,0,0,0,0|2,0,0]=4 1088 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [2,0,0,0,0,0|2,0,0]=4 1089 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [2,0,0,0,0,0|1,0,0]=3 1090 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [2,0,0,0,0,0|2,0,0]=4 1091 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [2,0,0,0,0,0|2,0,0]=4 1092 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [2,0,0,0,0,0|2,0,0]=4 1093 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [2,0,0,0,0,0|1,0,0]=3 1094 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [2,0,0,0,0,0|2,0,0]=4 1095 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [2,0,0,0,0,0|2,0,0]=4 1096 B9R1.69 c1cc(c(cc1O)F)F TS60320 [2,0,0,0,0,0|2,0,0]=4 1097 B9R1.69 c1cc(c(cc1O)F)N TS42650 [2,0,0,0,0,0|2,0,0]=4 1098 B9R1.69 c1cc(c(cc1O)F)N TS70881 [2,0,0,0,0,0|2,0,0]=4 1099 B9R1.69 c1cc(c(cc1O)F)O TS85396 [2,0,0,0,0,0|1,0,0]=3 1100 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [2,0,0,0,0,0|2,0,0]=4 1101 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [2,0,0,0,0,0|2,0,0]=4 1102 B9R1.69 c1cc(c(cc1O)N)F TS65858 [2,0,0,0,0,0|2,0,0]=4 1103 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [2,0,0,0,0,0|1,0,0]=3 1104 B9R1.69 c1cc(c(cc1O)O)F TS71140 [2,0,0,0,0,0|1,0,0]=3 1105 B9R1.69 c1cc(c(cc1O)O)N TS42356 [2,0,0,0,0,0|1,0,0]=3 1106 B9R1.69 c1cc(c(cc1O)O)O TS05134 [2,0,0,0,0,0|0,0,0]=2 1107 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [1,1,0,0,0,0|1,0,1]=4 1108 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [1,1,0,0,0,0|1,0,1]=4 1109 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [1,1,0,0,0,0|1,0,0]=3 1110 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [1,1,0,0,0,0|1,0,0]=3 1111 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [1,1,0,0,0,0|1,0,1]=4 1115 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,1,0,0,0,0|1,0,0]=3 1116 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,1,0,0,0,0|1,1,0]=4 1117 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,1,0,0,0,0|1,0,1]=4 1120 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [1,1,0,0,0,0|1,0,0]=3 1124 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [1,1,0,0,0,0|1,0,0]=3 1126 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [1,1,0,0,0,0|1,0,0]=3 1128 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [1,1,0,0,0,0|1,0,0]=3 1129 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [1,1,0,0,0,0|0,0,0]=2 1130 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [1,1,0,0,0,0|0,0,1]=3 1131 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [1,1,0,0,0,0|1,1,0]=4 1132 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [1,1,0,0,0,0|1,0,1]=4 1133 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [1,1,0,0,0,0|0,1,0]=3 1137 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [1,1,0,0,0,0|1,0,0]=3 1140 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [1,1,0,0,0,0|1,0,0]=3 1142 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [1,1,0,0,0,0|1,0,0]=3 1143 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [1,1,0,0,0,0|0,0,1]=3 1144 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [1,1,0,0,0,0|0,0,1]=3 1145 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [1,1,0,0,0,0|1,0,0]=3 1146 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [1,1,0,0,0,0|1,0,0]=3 1148 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [1,1,0,0,0,0|1,0,0]=3 1150 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [1,1,0,0,0,0|0,0,0]=2 1151 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [1,1,0,0,0,0|1,0,1]=4 1152 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [1,1,0,0,0,0|1,0,1]=4 1153 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [1,1,0,0,0,0|1,0,1]=4 1156 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.19 c1cc(ccc1Cl)[As](=O)(O)O TS25959 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.19 c1cc(ccc1F)S(=O)(=O)O TS46045 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.19 c1cc(ccc1N)S(=O)(=O)O TS02088 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.19 c1cc(ccc1N)[As](=O)(O)O TS22172 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [1,1,0,0,0,0|1,0,1]=4 1174 B11R1.19 c1cc(ccc1O)S(=O)(=O)O TS13461 [1,1,0,0,0,0|1,0,0]=3 1175 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS18192 [1,1,0,0,0,0|1,0,1]=4 1176 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS67381 [1,1,0,0,0,0|1,0,1]=4 1177 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS72457 [1,1,0,0,0,0|1,0,1]=4 1178 B11R1.19 c1cc(ccc1O)[As](=O)(O)O TS49348 [1,1,0,0,0,0|1,0,0]=3 1179 B11R1.19 c1cc(ccc1S(=O)(=O)O)Br TS56897 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl TS71061 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.19 c1cc(ncc1O)S(=O)(=O)O TS13638 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.19 c1cc(ncc1S(=O)(=O)O)O TS13639 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [1,1,0,0,0,0|1,0,1]=4 1184 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [1,1,0,0,0,0|1,0,1]=4 1185 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [1,1,0,0,0,0|1,0,0]=3 1191 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [1,1,0,0,0,0|1,0,0]=3 1194 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [1,1,0,0,0,0|1,0,0]=3 1197 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [1,1,0,0,0,0|1,0,0]=3 1200 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [1,1,0,0,0,0|1,0,0]=3 1202 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [1,1,0,0,0,0|1,0,0]=3 1206 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [1,1,0,0,0,0|1,0,0]=3 1207 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [1,1,0,0,0,0|1,0,0]=3 1208 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [1,1,0,0,0,0|1,0,0]=3 1209 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [1,1,0,0,0,0|0,0,0]=2 1210 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [1,1,0,0,0,0|1,0,1]=4 1211 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [1,1,0,0,0,0|1,0,0]=3 1214 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [1,1,0,0,0,0|1,0,0]=3 1218 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [1,1,0,0,0,0|1,0,0]=3 1220 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [1,1,0,0,0,0|1,0,0]=3 1223 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [1,1,0,0,0,0|1,0,0]=3 1224 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [1,1,0,0,0,0|1,0,0]=3 1226 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [1,1,0,0,0,0|1,0,0]=3 1228 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [1,1,0,0,0,0|1,0,1]=4 1229 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [1,1,0,0,0,0|1,0,0]=3 1234 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [1,1,0,0,0,0|2,0,0]=4 1235 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [1,1,0,0,0,0|1,0,0]=3 1236 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [1,1,0,0,0,0|2,0,0]=4 1240 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [1,1,0,0,0,0|2,0,0]=4 1242 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [1,1,0,0,0,0|2,0,0]=4 1243 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [1,1,0,0,0,0|2,0,0]=4 1244 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [1,1,0,0,0,0|2,0,0]=4 1245 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [1,1,0,0,0,0|2,0,0]=4 1246 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [1,1,0,0,0,0|2,0,0]=4 1247 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [1,1,0,0,0,0|1,0,0]=3 1248 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [1,1,0,0,0,0|1,0,0]=3 1249 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [1,1,0,0,0,0|1,0,0]=3 1250 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [1,1,0,0,0,0|1,0,0]=3 1251 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [1,1,0,0,0,0|0,0,0]=2 1252 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [1,1,0,0,0,0|1,0,0]=3 1253 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [1,1,0,0,0,0|1,0,0]=3 1254 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [1,1,0,0,0,0|1,0,0]=3 1255 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [1,1,0,0,0,0|1,0,0]=3 1256 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [1,1,0,0,0,0|0,0,0]=2 1257 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [1,1,0,0,0,0|1,0,0]=3 1258 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [1,1,0,0,0,0|1,0,0]=3 1259 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [1,1,0,0,0,0|1,0,0]=3 1260 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [1,1,0,0,0,0|1,0,0]=3 1261 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [1,1,0,0,0,0|1,0,0]=3 1262 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [1,1,0,0,0,0|0,0,0]=2 1263 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [1,1,0,0,0,0|1,0,0]=3 1264 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [1,1,0,0,0,0|1,0,0]=3 1265 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [1,1,0,0,0,0|1,0,0]=3 1266 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [1,1,0,0,0,0|1,0,0]=3 1267 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [1,1,0,0,0,0|0,0,0]=2 1268 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [1,1,0,0,0,0|1,0,0]=3 1269 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [1,1,0,0,0,0|1,0,0]=3 1270 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [1,1,0,0,0,0|1,0,0]=3 1271 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [1,1,0,0,0,0|1,0,0]=3 1272 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [1,1,0,0,0,0|1,0,0]=3 1273 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [1,1,0,0,0,0|0,0,0]=2 1274 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [1,1,0,0,0,0|1,0,0]=3 1275 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [1,1,0,0,0,0|1,0,0]=3 1276 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [1,1,0,0,0,0|1,0,0]=3 1277 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [1,1,0,0,0,0|1,0,0]=3 1278 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [1,1,0,0,0,0|1,0,0]=3 1279 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [1,1,0,0,0,0|0,0,0]=2 1280 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [1,1,0,0,0,0|1,0,0]=3 1281 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [1,1,0,0,0,0|1,0,1]=4 1282 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [1,1,0,0,0,0|0,0,1]=3 1283 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [1,1,0,0,0,0|1,0,1]=4 1284 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [1,1,0,0,0,0|1,0,1]=4 1285 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [1,1,0,0,0,0|1,0,1]=4 1286 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [1,1,0,0,0,0|1,0,1]=4 1287 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [1,1,0,0,0,0|1,0,1]=4 1288 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [1,1,0,0,0,0|1,0,1]=4 1289 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [1,1,0,0,0,0|2,0,0]=4 1290 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [1,1,0,0,0,0|2,0,0]=4 1292 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|2,0,0]=4 1293 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [1,1,0,0,0,0|2,0,0]=4 1296 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [1,1,0,0,0,0|1,0,0]=3 1297 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [1,1,0,0,0,0|1,0,0]=3 1299 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [1,1,0,0,0,0|1,0,1]=4 1300 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [1,1,0,0,0,0|1,0,0]=3 1301 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [1,1,0,0,0,0|1,0,0]=3 1302 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [1,1,0,0,0,0|1,0,0]=3 1303 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [1,1,0,0,0,0|1,0,0]=3 1304 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [1,1,0,0,0,0|1,0,0]=3 1305 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [1,1,0,0,0,0|1,0,0]=3 1306 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [1,1,0,0,0,0|0,0,0]=2 1307 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [1,1,0,0,0,0|0,0,0]=2 1308 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [1,1,0,0,0,0|0,0,0]=2 1309 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [1,1,0,0,0,0|2,0,0]=4 1312 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [1,1,0,0,0,0|1,0,0]=3 1313 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [1,1,0,0,0,0|2,0,0]=4 1314 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [1,1,0,0,0,0|2,0,0]=4 1315 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [1,1,0,0,0,0|2,0,0]=4 1316 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [1,1,0,0,0,0|2,0,0]=4 1317 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [1,1,0,0,0,0|1,0,0]=3 1318 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [1,1,0,0,0,0|1,0,1]=4 1320 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [1,1,0,0,0,0|2,0,0]=4 1321 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [1,1,0,0,0,0|2,0,0]=4 1322 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,1,0,0,0,0|1,0,1]=4 1325 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [1,1,0,0,0,0|2,0,0]=4 1326 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [1,1,0,0,0,0|2,0,0]=4 1327 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [1,1,0,0,0,0|2,0,0]=4 1329 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [1,1,0,0,0,0|1,0,0]=3 1330 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,1,0,0,0,0|2,0,0]=4 1331 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [1,1,0,0,0,0|2,0,0]=4 1332 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [1,1,0,0,0,0|1,0,0]=3 1333 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,1,0,0,0,0|1,0,0]=3 1334 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,1,0,0,0,0|2,0,0]=4 1335 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [1,1,0,0,0,0|2,0,0]=4 1336 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [1,1,0,0,0,0|2,0,0]=4 1338 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [1,1,0,0,0,0|2,0,0]=4 1339 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [1,1,0,0,0,0|1,0,0]=3 1342 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [1,1,0,0,0,0|2,0,0]=4 1344 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [1,1,0,0,0,0|2,0,0]=4 1345 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [1,1,0,0,0,0|1,0,1]=4 1346 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [1,1,0,0,0,0|1,0,1]=4 1347 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [1,1,0,0,0,0|1,0,1]=4 1348 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [1,1,0,0,0,0|1,0,1]=4 1349 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,1,0,0,0,0|0,0,1]=3 1350 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [1,1,0,0,0,0|2,0,0]=4 1351 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [1,1,0,0,0,0|2,0,0]=4 1352 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [1,1,0,0,0,0|2,0,0]=4 1353 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [1,1,0,0,0,0|2,0,0]=4 1354 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [1,1,0,0,0,0|2,0,0]=4 1355 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [1,1,0,0,0,0|1,0,0]=3 1358 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [1,1,0,0,0,0|2,0,0]=4 1361 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [1,1,0,0,0,0|1,0,0]=3 1362 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [1,1,0,0,0,0|1,0,0]=3 1363 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [1,1,0,0,0,0|1,0,0]=3 1364 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [1,1,0,0,0,0|1,0,0]=3 1365 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [1,1,0,0,0,0|2,0,0]=4 1366 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [1,1,0,0,0,0|2,0,0]=4 1367 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [1,1,0,0,0,0|2,0,0]=4 1368 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [1,1,0,0,0,0|2,0,0]=4 1369 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [1,1,0,0,0,0|1,0,0]=3 1370 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [1,1,0,0,0,0|0,0,0]=2 1371 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [1,1,0,0,0,0|1,0,1]=4 1372 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [1,1,0,0,0,0|1,0,1]=4 1373 B11R1.37 COc1cc(ccc1C=O)F TS09700 [1,1,0,0,0,0|1,0,0]=3 1374 B11R1.37 COc1cc(ccc1C=O)O TS71152 [1,1,0,0,0,0|0,0,0]=2 1375 B11R1.37 COc1cc(ccc1CO)F TS10664 [1,1,0,0,0,0|1,0,1]=4 1376 B11R1.37 COc1ccc(cc1OC)O TS65454 [1,1,0,0,0,0|2,0,0]=4 1377 B11R1.37 c1cc(c(cc1F)C#N)C=O TS40714 [1,1,0,0,0,0|2,0,0]=4 1378 B11R1.81 CCCc1ccc(cc1O)O TS41141 [1,1,0,0,0,0|1,0,1]=4 1379 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [1,1,0,0,0,0|2,0,0]=4 1380 B11R1.81 c1cc(c(cc1Br)F)C=NO TS49341 [1,1,0,0,0,0|2,0,0]=4 1381 B11R1.81 c1cc(c(cc1Cl)Cl)C=NO TS16282 [1,1,0,0,0,0|2,0,0]=4 1382 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [1,1,0,0,0,0|2,0,0]=4 1383 B11R1.81 c1cc(c(cc1F)F)C=NO TS41745 [1,1,0,0,0,0|2,0,0]=4 1384 B11R1.81 c1cc(c(cc1O)O)C=NO TS10291 [1,1,0,0,0,0|0,0,0]=2 1385 B11R1.277 Cc1cc(c(cc1Br)F)C=O TS16761 [1,1,0,0,0,0|2,0,0]=4 1386 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [1,1,0,0,0,0|2,0,0]=4 1387 B11R1.277 Cc1cc(c(cc1C=O)F)Br TS39472 [1,1,0,0,0,0|2,0,0]=4 1388 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [1,1,0,0,0,0|1,0,0]=3 1389 B11R1.277 Cc1cc(c(cc1O)C)C=O TS71150 [1,1,0,0,0,0|1,0,0]=3 1390 B11R1.277 c1c(c(cc(c1Br)F)O)C=O TS49543 [1,1,0,0,0,0|1,0,0]=3 1391 B11R1.277 c1c(c(cc(c1Br)O)Br)C=O TS54282 [1,1,0,0,0,0|1,0,0]=3 1392 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O TS16794 [1,1,0,0,0,0|2,0,0]=4 1393 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O TS17601 [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O TS65125 [1,1,0,0,0,0|2,0,0]=4 1395 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O TS60274 [1,1,0,0,0,0|2,0,0]=4 1396 B11R1.277 c1c(c(cc(c1F)F)F)C=O TS00581 [1,1,0,0,0,0|2,0,0]=4 1397 B11R1.277 c1c(c(cc(c1O)O)O)C=O TS10388 [1,1,0,0,0,0|0,0,0]=2 1398 B11R1.278 Cc1c(ccc(c1F)C=O)F TS32890 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.278 Cc1c(ccc(c1F)F)C=O TS10657 [1,1,0,0,0,0|2,0,0]=4 1400 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [1,1,0,0,0,0|0,0,0]=2 1401 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [1,1,0,0,0,0|2,0,0]=4 1402 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [1,1,0,0,0,0|2,0,0]=4 1403 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [1,1,0,0,0,0|1,0,1]=4 1404 B11R1.278 c1cc(c(c(c1C=O)Cl)Cl)O TS60227 [1,1,0,0,0,0|1,0,0]=3 1405 B11R1.278 c1cc(c(c(c1C=O)F)Cl)F TS13933 [1,1,0,0,0,0|2,0,0]=4 1406 B11R1.278 c1cc(c(c(c1C=O)F)F)Br TS23219 [1,1,0,0,0,0|2,0,0]=4 1407 B11R1.278 c1cc(c(c(c1C=O)F)F)F TS00532 [1,1,0,0,0,0|2,0,0]=4 1408 B11R1.278 c1cc(c(c(c1C=O)F)F)I TS30479 [1,1,0,0,0,0|2,0,0]=4 1409 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [1,1,0,0,0,0|0,0,0]=2 1410 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [1,1,0,0,0,0|1,0,0]=3 1411 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [1,1,0,0,0,0|1,0,1]=4 1412 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|0,0,0]=2 1413 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|0,0,1]=3 1414 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 1415 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|2,0,0]=4 1416 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [1,1,0,0,0,0|1,0,0]=3 1417 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|1,0,1]=4 1420 B11R1.464 Cc1cc(c(c(c1)C)C=O)C TS07475 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.464 Cc1cc(c(c(c1)O)C=O)O TS10138 [1,1,0,0,0,0|1,0,0]=3 1422 B11R1.464 Cc1cc(cc(c1C=O)Br)F TS22164 [1,1,0,0,0,0|2,0,0]=4 1423 B11R1.464 Cc1cc(cc(c1C=O)C)F TS10164 [1,1,0,0,0,0|2,0,0]=4 1424 B11R1.464 Cc1cc(cc(c1C=O)C)O TS71151 [1,1,0,0,0,0|1,0,0]=3 1425 B11R1.464 Cc1cc(cc(c1CO)C)O TS10183 [1,1,0,0,0,0|1,0,1]=4 1426 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)O TS17216 [1,1,0,0,0,0|1,0,0]=3 1427 B11R1.464 c1c(cc(c(c1F)C=O)F)Br TS16925 [1,1,0,0,0,0|2,0,0]=4 1428 B11R1.464 c1c(cc(c(c1F)C=O)F)F TS00595 [1,1,0,0,0,0|2,0,0]=4 1429 B11R1.464 c1c(cc(c(c1O)C=O)Cl)Cl TS17217 [1,1,0,0,0,0|1,0,0]=3 1430 B11R1.464 c1c(cc(c(c1O)C=O)O)O TS59918 [1,1,0,0,0,0|0,0,0]=2 1431 B11R1.53 C#Cc1ccccc1C(=O)O TS07176 [1,1,0,0,0,0|1,0,0]=3 1432 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [1,1,0,0,0,0|2,0,0]=4 1433 B11R1.53 CC(=O)c1ccccc1OC TS09870 [1,1,0,0,0,0|1,0,0]=3 1434 B11R1.53 CCc1ccccc1C(=O)O TS55311 [1,1,0,0,0,0|1,0,0]=3 1435 B11R1.53 CNc1c(cccn1)C(=O)O TS41111 [1,1,0,0,0,0|2,0,0]=4 1436 B11R1.53 CNc1ccccc1C(=O)N TS09878 [1,1,0,0,0,0|2,0,0]=4 1437 B11R1.53 CNc1ccccc1C(=O)O TS40996 [1,1,0,0,0,0|1,0,0]=3 1438 B11R1.53 COc1c(cccn1)C(=O)O TS41256 [1,1,0,0,0,0|1,0,0]=3 1439 B11R1.53 COc1ccccc1C(=N)N TS15732 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [1,1,0,0,0,0|1,0,0]=3 1441 B11R1.53 COc1ccccc1C(=O)N TS10036 [1,1,0,0,0,0|1,0,0]=3 1442 B11R1.53 COc1ccccc1C(=O)O TS00089 [1,1,0,0,0,0|0,0,0]=2 1443 B11R1.53 COc1ccccc1C(=S)N TS12414 [1,1,0,0,0,0|1,1,0]=4 1444 B11R1.53 COc1ccccc1[N+](=O)[O-] TS41258 [1,1,0,0,0,0|1,0,1]=4 1445 B11R1.53 COc1cccnc1C(=O)O TS41254 [1,1,0,0,0,0|1,0,0]=3 1446 B11R1.53 COc1cnccc1C(=O)O TS02821 [1,1,0,0,0,0|1,0,0]=3 1447 B11R1.53 CSc1c(cccn1)C(=O)O TS02456 [1,1,0,0,0,0|1,1,0]=4 1448 B11R1.53 CSc1ccccc1C(=O)O TS44885 [1,1,0,0,0,0|0,1,0]=3 1449 B11R1.53 c1cc(c(nc1)C#N)C(=O)O TS40599 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.53 c1cc(c(nc1)C(=O)O)C#N TS40603 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.53 c1ccc(c(c1)C#N)C(=O)Cl TS42961 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.53 c1ccc(c(c1)C#N)C(=O)N TS07196 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.53 c1ccc(c(c1)C#N)C(=O)O TS55301 [1,1,0,0,0,0|1,0,0]=3 1454 B11R1.53 c1ccc(c(c1)C(=O)O)I=O TS29988 [1,1,0,0,0,0|0,0,1]=3 1455 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS41107 [1,1,0,0,0,0|1,0,0]=3 1456 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS50819 [1,1,0,0,0,0|1,0,0]=3 1457 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [1,1,0,0,0,0|0,0,0]=2 1458 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [1,1,0,0,0,0|0,0,1]=3 1459 B11R1.53 c1ccc(c(c1)CBr)C(=O)Br TS31288 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.53 c1ccc(c(c1)CBr)C(=O)O TS44633 [1,1,0,0,0,0|1,0,0]=3 1461 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl TS50845 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.53 c1ccc(c(c1)CCl)C(=O)O TS47087 [1,1,0,0,0,0|1,0,0]=3 1463 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] TS09390 [1,1,0,0,0,0|1,0,1]=4 1464 B11R1.53 c1cncc(c1CO)C(=O)O TS10288 [1,1,0,0,0,0|1,0,0]=3 1465 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [1,1,0,0,0,0|1,0,1]=4 1466 B11R1.87 Cc1ccccc1S(=O)(=O)O TS65055 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O TS13642 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)O TS13641 [1,1,0,0,0,0|2,0,0]=4 1469 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O TS45618 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.87 c1ccc(c(c1)N)[As](=O)(O)O TS22171 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.87 c1ccc(c(c1)O)P(=O)(O)O TS13426 [1,1,0,0,0,0|1,0,0]=3 1472 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)[O-] TS18191 [1,1,0,0,0,0|1,0,1]=4 1473 B11R1.87 c1ccc(c(c1)S(=O)(=O)O)I TS34698 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.87 c1cncc(c1O)S(=O)(=O)O TS13640 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [1,1,0,0,0,0|1,0,0]=3 1479 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [1,1,0,0,0,0|1,0,0]=3 1480 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.156 Cc1cccc(c1C(=O)N)Cl TS12721 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.156 Cc1cccc(c1C(=O)O)Br TS08368 [1,1,0,0,0,0|1,0,0]=3 1483 B11R1.156 Cc1cccc(c1C(=O)O)C TS47324 [1,1,0,0,0,0|1,0,0]=3 1484 B11R1.156 Cc1cccc(c1C(=O)O)Cl TS00931 [1,1,0,0,0,0|1,0,0]=3 1485 B11R1.156 Cc1cccc(c1C(=O)O)F TS55367 [1,1,0,0,0,0|1,0,0]=3 1486 B11R1.156 Cc1cccc(c1C(=O)O)N TS65371 [1,1,0,0,0,0|1,0,0]=3 1487 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [1,1,0,0,0,0|0,0,0]=2 1488 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O TS93827 [1,1,0,0,0,0|1,0,1]=4 1489 B11R1.156 Cc1ccnc(c1C(=O)O)C TS00645 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.156 Cc1ccnc(c1C(=O)O)C TS15873 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.156 Cc1ccnc(c1C(=O)O)N TS41117 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.156 Cc1cncc(c1C(=O)O)C TS65820 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)Cl TS17405 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl TS28543 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)F TS26103 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br TS54283 [1,1,0,0,0,0|1,0,0]=3 1497 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl TS55141 [1,1,0,0,0,0|1,0,0]=3 1498 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F TS55145 [1,1,0,0,0,0|1,0,0]=3 1499 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N TS44776 [1,1,0,0,0,0|1,0,0]=3 1500 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])O TS60006 [1,1,0,0,0,0|1,0,1]=4 1501 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl TS20794 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F TS17603 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl TS16283 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F TS45696 [1,1,0,0,0,0|2,0,0]=4 1505 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl TS47298 [1,1,0,0,0,0|1,0,0]=3 1506 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F TS45862 [1,1,0,0,0,0|1,0,0]=3 1507 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N TS00802 [1,1,0,0,0,0|1,0,0]=3 1508 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [1,1,0,0,0,0|0,0,0]=2 1509 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F TS34654 [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F TS41746 [1,1,0,0,0,0|2,0,0]=4 1511 B11R1.156 c1cc(c(c(c1)F)C(=O)N)N TS10395 [1,1,0,0,0,0|2,0,0]=4 1512 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F TS34651 [1,1,0,0,0,0|1,0,0]=3 1513 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N TS08956 [1,1,0,0,0,0|1,0,0]=3 1514 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [1,1,0,0,0,0|0,0,0]=2 1515 B11R1.156 c1cc(c(c(c1)F)C(=O)[O-])F TS14504 [1,1,0,0,0,0|1,0,1]=4 1516 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O TS70575 [1,1,0,0,0,0|1,0,1]=4 1517 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F TS65423 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F TS73457 [1,1,0,0,0,0|1,0,0]=3 1519 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O TS41257 [1,1,0,0,0,0|1,0,0]=3 1520 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [1,1,0,0,0,0|0,0,0]=2 1521 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O TS10555 [1,1,0,0,0,0|1,0,1]=4 1522 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl TS47215 [1,1,0,0,0,0|2,0,0]=4 1523 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl TS34657 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.156 c1cnc(c(c1I)C(=O)O)F TS08419 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl TS90500 [1,1,0,0,0,0|2,0,0]=4 1526 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [1,1,0,0,0,0|1,0,1]=4 1527 B11R1.159 B(c1cccc(c1O)F)(O)O TS41563 [1,1,0,0,0,0|1,0,1]=4 1528 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [1,1,0,0,0,0|2,0,0]=4 1531 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [1,1,0,0,0,0|2,0,0]=4 1532 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [1,1,0,0,0,0|1,0,0]=3 1533 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [1,1,0,0,0,0|1,0,0]=3 1534 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [1,1,0,0,0,0|1,0,0]=3 1535 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [1,1,0,0,0,0|1,0,0]=3 1536 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [1,1,0,0,0,0|1,0,0]=3 1537 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [1,1,0,0,0,0|1,0,0]=3 1538 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [1,1,0,0,0,0|1,0,0]=3 1539 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [1,1,0,0,0,0|1,0,0]=3 1540 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [1,1,0,0,0,0|1,0,0]=3 1541 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [1,1,0,0,0,0|1,0,0]=3 1542 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [1,1,0,0,0,0|1,0,0]=3 1543 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [1,1,0,0,0,0|2,0,0]=4 1544 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [1,1,0,0,0,0|2,0,0]=4 1545 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [1,1,0,0,0,0|2,0,0]=4 1546 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [1,1,0,0,0,0|1,0,0]=3 1547 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [1,1,0,0,0,0|1,0,0]=3 1548 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [1,1,0,0,0,0|1,0,0]=3 1550 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [1,1,0,0,0,0|1,0,0]=3 1551 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [1,1,0,0,0,0|1,0,0]=3 1552 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [1,1,0,0,0,0|0,0,0]=2 1553 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [1,1,0,0,0,0|0,0,1]=3 1554 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [1,1,0,0,0,0|1,0,1]=4 1555 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [1,1,0,0,0,0|1,0,1]=4 1556 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [1,1,0,0,0,0|1,0,0]=3 1560 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [1,1,0,0,0,0|1,0,0]=3 1561 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [1,1,0,0,0,0|1,0,0]=3 1562 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [1,1,0,0,0,0|0,0,0]=2 1563 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] TS08374 [1,1,0,0,0,0|1,0,1]=4 1564 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [1,1,0,0,0,0|1,0,0]=3 1567 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [1,1,0,0,0,0|1,0,0]=3 1571 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [1,1,0,0,0,0|1,0,0]=3 1572 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [1,1,0,0,0,0|0,0,0]=2 1573 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] TS65408 [1,1,0,0,0,0|1,0,1]=4 1574 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [1,1,0,0,0,0|1,0,0]=3 1575 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [1,1,0,0,0,0|1,0,0]=3 1576 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [1,1,0,0,0,0|1,0,0]=3 1579 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [1,1,0,0,0,0|1,0,0]=3 1580 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [1,1,0,0,0,0|1,0,0]=3 1581 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [1,1,0,0,0,0|0,0,0]=2 1582 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] TS55373 [1,1,0,0,0,0|1,0,1]=4 1583 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [1,1,0,0,0,0|1,0,0]=3 1584 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [1,1,0,0,0,0|1,0,0]=3 1585 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [1,1,0,0,0,0|1,0,0]=3 1586 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [1,1,0,0,0,0|1,0,0]=3 1587 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [1,1,0,0,0,0|0,0,0]=2 1589 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [1,1,0,0,0,0|1,0,0]=3 1591 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [1,1,0,0,0,0|0,0,0]=2 1592 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Br TS85394 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl TS47152 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl TS65040 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.159 c1cnc(c(c1C(=O)O)F)F TS11097 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.159 c1cnc(c(c1C(=O)O)F)I TS30363 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.159 c1cnc(c(c1C(=O)O)I)Br TS77711 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl TS45690 [1,1,0,0,0,0|1,0,0]=3 1599 B11R1.159 c1cnc(c(c1N)Cl)C(=O)O TS13260 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.167 B(c1cc(ccc1O)Br)(O)O TS22151 [1,1,0,0,0,0|1,0,1]=4 1601 B11R1.167 B(c1cc(ccc1O)Cl)(O)O TS71494 [1,1,0,0,0,0|1,0,1]=4 1602 B11R1.167 B(c1cc(ccc1O)F)(O)O TS71537 [1,1,0,0,0,0|1,0,1]=4 1603 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [1,1,0,0,0,0|1,0,0]=3 1612 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [1,1,0,0,0,0|1,0,0]=3 1613 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [1,1,0,0,0,0|1,0,0]=3 1614 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [1,1,0,0,0,0|1,0,0]=3 1615 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [1,1,0,0,0,0|1,0,1]=4 1616 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [1,1,0,0,0,0|1,0,0]=3 1624 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [1,1,0,0,0,0|1,0,0]=3 1625 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [1,1,0,0,0,0|1,0,0]=3 1626 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [1,1,0,0,0,0|1,0,0]=3 1627 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [1,1,0,0,0,0|1,0,0]=3 1628 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [1,1,0,0,0,0|1,0,0]=3 1629 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [1,1,0,0,0,0|1,0,0]=3 1630 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [1,1,0,0,0,0|0,0,0]=2 1631 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [1,1,0,0,0,0|1,0,1]=4 1632 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [1,1,0,0,0,0|1,0,0]=3 1635 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [1,1,0,0,0,0|1,0,0]=3 1636 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [1,1,0,0,0,0|1,0,0]=3 1637 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [1,1,0,0,0,0|1,0,0]=3 1638 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [1,1,0,0,0,0|1,0,0]=3 1639 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [1,1,0,0,0,0|1,0,0]=3 1640 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O TS34266 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.167 c1c(c(cnc1Br)N)C(=O)O TS85822 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O TS16984 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O TS00661 [1,1,0,0,0,0|2,0,0]=4 1644 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O TS71357 [1,1,0,0,0,0|2,0,0]=4 1645 B11R1.167 c1c(c(cnc1F)N)C(=O)O TS10650 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [1,1,0,0,0,0|2,0,0]=4 1647 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [1,1,0,0,0,0|2,0,0]=4 1648 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [1,1,0,0,0,0|2,0,0]=4 1649 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [1,1,0,0,0,0|2,0,0]=4 1650 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [1,1,0,0,0,0|2,0,0]=4 1651 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [1,1,0,0,0,0|2,0,0]=4 1652 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [1,1,0,0,0,0|1,0,0]=3 1658 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [1,1,0,0,0,0|1,0,0]=3 1659 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [1,1,0,0,0,0|1,0,0]=3 1660 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [1,1,0,0,0,0|1,0,0]=3 1662 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [1,1,0,0,0,0|1,0,0]=3 1663 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [1,1,0,0,0,0|1,0,0]=3 1664 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [1,1,0,0,0,0|1,0,0]=3 1665 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [1,1,0,0,0,0|1,0,0]=3 1666 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [1,1,0,0,0,0|1,0,0]=3 1667 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [1,1,0,0,0,0|0,0,0]=2 1668 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [1,1,0,0,0,0|0,1,0]=3 1669 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O TS70969 [1,1,0,0,0,0|1,0,1]=4 1670 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [1,1,0,0,0,0|2,0,0]=4 1671 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [1,1,0,0,0,0|2,0,0]=4 1672 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [1,1,0,0,0,0|2,0,0]=4 1673 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [1,1,0,0,0,0|2,0,0]=4 1674 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [1,1,0,0,0,0|1,0,0]=3 1675 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [1,1,0,0,0,0|1,0,0]=3 1676 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [1,1,0,0,0,0|1,0,0]=3 1677 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [1,1,0,0,0,0|1,0,0]=3 1678 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [1,1,0,0,0,0|1,0,0]=3 1679 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [1,1,0,0,0,0|1,0,0]=3 1680 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [1,1,0,0,0,0|1,0,0]=3 1681 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [1,1,0,0,0,0|0,0,0]=2 1682 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [1,1,0,0,0,0|0,1,0]=3 1683 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O TS45692 [1,1,0,0,0,0|1,0,1]=4 1684 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [1,1,0,0,0,0|2,0,0]=4 1689 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [1,1,0,0,0,0|1,0,0]=3 1691 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [1,1,0,0,0,0|1,0,0]=3 1692 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [1,1,0,0,0,0|1,0,0]=3 1693 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [1,1,0,0,0,0|1,0,0]=3 1694 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [1,1,0,0,0,0|0,0,0]=2 1695 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [1,1,0,0,0,0|0,1,0]=3 1696 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O TS09708 [1,1,0,0,0,0|1,0,1]=4 1697 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [1,1,0,0,0,0|1,0,0]=3 1698 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [1,1,0,0,0,0|1,0,0]=3 1699 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [1,1,0,0,0,0|1,0,0]=3 1700 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [1,1,0,0,0,0|1,0,0]=3 1701 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [1,1,0,0,0,0|1,0,0]=3 1702 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [1,1,0,0,0,0|0,0,0]=2 1703 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [1,1,0,0,0,0|1,0,0]=3 1704 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [1,1,0,0,0,0|1,0,0]=3 1705 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [1,1,0,0,0,0|1,0,0]=3 1706 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [1,1,0,0,0,0|1,0,0]=3 1707 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [1,1,0,0,0,0|0,0,0]=2 1708 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [1,1,0,0,0,0|0,0,1]=3 1709 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O TS41334 [1,1,0,0,0,0|1,0,1]=4 1710 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [1,1,0,0,0,0|1,0,0]=3 1711 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [1,1,0,0,0,0|1,0,0]=3 1712 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [1,1,0,0,0,0|1,0,0]=3 1713 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [1,1,0,0,0,0|1,0,0]=3 1714 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [1,1,0,0,0,0|0,0,0]=2 1715 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [1,1,0,0,0,0|0,0,1]=3 1716 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [1,1,0,0,0,0|1,0,1]=4 1717 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS51386 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS63216 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl TS39359 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl TS89991 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.222 CC(=NO)c1ccccc1O TS10031 [1,1,0,0,0,0|1,0,0]=3 1722 B11R1.222 CCC(=O)c1ccccc1F TS01035 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.222 CCC(=O)c1ccccc1O TS09859 [1,1,0,0,0,0|1,0,0]=3 1724 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.222 CNC(=O)c1ccccc1N TS00814 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.222 CNC(=O)c1ccccc1O TS41017 [1,1,0,0,0,0|1,0,0]=3 1727 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [1,1,0,0,0,0|1,0,0]=3 1732 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [1,1,0,0,0,0|1,0,1]=4 1734 B11R1.222 COC(=O)c1ccccc1Br TS44643 [1,1,0,0,0,0|1,0,0]=3 1735 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [1,1,0,0,0,0|1,0,0]=3 1736 B11R1.222 COC(=O)c1ccccc1F TS56255 [1,1,0,0,0,0|1,0,0]=3 1737 B11R1.222 COC(=O)c1ccccc1I TS29742 [1,1,0,0,0,0|1,0,0]=3 1738 B11R1.222 COC(=O)c1ccccc1N TS56313 [1,1,0,0,0,0|1,0,0]=3 1739 B11R1.222 COC(=O)c1ccccc1O TS10129 [1,1,0,0,0,0|0,0,0]=2 1740 B11R1.222 COC(=O)c1ccccc1S TS44891 [1,1,0,0,0,0|0,1,0]=3 1741 B11R1.222 COC(=O)c1cccnc1Br TS59949 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.222 COC(=O)c1cccnc1F TS01029 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.222 COC(=O)c1cccnc1N TS08546 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.222 COC(=O)c1cccnc1O TS41251 [1,1,0,0,0,0|1,0,0]=3 1746 B11R1.222 COC(=O)c1ccncc1Br TS86589 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.222 COC(=O)c1ccncc1I TS70635 [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.222 COC(=O)c1ccncc1N TS41123 [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.222 COC(=O)c1ccncc1O TS41246 [1,1,0,0,0,0|1,0,0]=3 1750 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.222 COC(=O)c1cnccc1N TS08595 [1,1,0,0,0,0|2,0,0]=4 1752 B11R1.222 COC(=O)c1cnccc1O TS16569 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [1,1,0,0,0,0|2,0,0]=4 1754 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [1,1,0,0,0,0|2,0,0]=4 1755 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [1,1,0,0,0,0|2,0,0]=4 1756 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.222 c1cc(c(nc1)C(=O)CBr)O TS58699 [1,1,0,0,0,0|2,0,0]=4 1762 B11R1.222 c1ccc(c(c1)C(=N)NO)Cl TS45232 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.222 c1ccc(c(c1)C(=NO)N)N TS41025 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [1,1,0,0,0,0|1,0,0]=3 1765 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [1,1,0,0,0,0|2,0,0]=4 1768 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [1,1,0,0,0,0|2,0,0]=4 1769 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [1,1,0,0,0,0|2,0,0]=4 1771 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [1,1,0,0,0,0|1,0,0]=3 1772 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [1,1,0,0,0,0|2,0,0]=4 1773 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [1,1,0,0,0,0|2,0,0]=4 1776 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [1,1,0,0,0,0|1,0,0]=3 1780 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [1,1,0,0,0,0|1,0,0]=3 1781 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [1,1,0,0,0,0|0,0,0]=2 1782 B11R1.64 COc1c(csc1Br)C(=O)O TS60078 [0,1,0,0,1,0|2,0,0]=4 1783 B11R1.64 COc1c(csc1Cl)C(=O)O TS07711 [0,1,0,0,1,0|2,0,0]=4 1784 B11R1.865 COC(=O)c1c(c(cs1)Br)O TS56898 [0,1,0,0,1,0|2,0,0]=4 1785 B13R1.51 CC(=O)Nc1ccc(cc1OC)Br TS27099 [0,1,0,0,0,1|2,0,0]=4 1786 B13R1.163 c1cc(c(cc1Br)F)C(C(=O)O)O TS27856 [0,1,0,0,0,1|2,0,0]=4 1787 B13R1.163 c1cc(c(cc1F)F)C(C(=O)O)N TS15761 [0,1,0,0,0,1|2,0,0]=4 1788 B13R1.163 c1cc(c(cc1F)F)C(C(=O)O)O TS50665 [0,1,0,0,0,1|2,0,0]=4 1789 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O TS27266 [0,1,0,0,0,1|1,0,0]=3 1790 B13R1.653 COc1ccc(c(c1)F)CC(=O)O TS59969 [0,1,0,0,0,1|1,0,0]=3 1791 B13R1.876 Cc1cc(c(cc1Cl)NC(=O)C)O TS18887 [0,1,0,0,0,1|2,0,0]=4 1792 B13R1.876 c1c(c(cc(c1F)Cl)Cl)CC(=O)O TS50254 [0,1,0,0,0,1|2,0,0]=4 1793 B13R1.876 c1c(c(cc(c1F)F)Br)CC(=O)O TS16838 [0,1,0,0,0,1|2,0,0]=4 1794 B13R1.876 c1c(c(cc(c1F)F)Cl)CC(=O)O TS39099 [0,1,0,0,0,1|2,0,0]=4 1795 B13R1.876 c1c(c(cc(c1F)F)F)CC(=O)O TS07993 [0,1,0,0,0,1|2,0,0]=4 1796 B13R1.2679 COC(=O)Cc1ccc(cc1Br)Cl TS08553 [0,1,0,0,0,1|2,0,0]=4 1797 B13R1.2679 COC(=O)Cc1ccc(cc1Cl)Cl TS22541 [0,1,0,0,0,1|2,0,0]=4 1798 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)OC TS14245 [0,1,0,0,0,1|2,0,0]=4 1799 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C TS07910 [0,1,0,0,0,1|2,0,0]=4 1800 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C TS93797 [0,1,0,0,0,1|2,0,0]=4 1801 B13R1.2808 c1c(cc(c(c1F)CC(=O)O)F)F TS47178 [0,1,0,0,0,1|2,0,0]=4 1802 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)F TS17005 [0,1,0,0,0,1|2,0,0]=4 1803 B13R1.3528 c1cc(c(c(c1CC(=O)O)F)F)N TS15759 [0,1,0,0,0,1|2,0,0]=4 1804 B13R1.99 B(c1ccc(cc1OC)OC)(O)O TS93239 [0,2,0,0,0,0|1,0,1]=4 1805 B13R1.99 CC(=O)c1ccc(cc1OC)OC TS32898 [0,2,0,0,0,0|1,0,0]=3 1806 B13R1.99 COc1cc(ccc1[N+](=O)[O-])CO TS15116 [0,2,0,0,0,0|1,0,1]=4 1807 B13R1.99 COc1ccc(c(c1)OC)C(=N)N TS49186 [0,2,0,0,0,0|2,0,0]=4 1808 B13R1.99 COc1ccc(c(c1)OC)C(=O)Cl TS19106 [0,2,0,0,0,0|1,0,0]=3 1809 B13R1.99 COc1ccc(c(c1)OC)C(=O)O TS59920 [0,2,0,0,0,0|0,0,0]=2 1810 B13R1.99 COc1ccc(c(c1)OC)C(=S)N TS18472 [0,2,0,0,0,0|1,1,0]=4 1811 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] TS15104 [0,2,0,0,0,0|1,0,1]=4 1812 B13R1.99 COc1ccc(c(c1)[N+]#N)C(=O)N TS83855 [0,2,0,0,0,0|2,0,0]=4 1813 B13R1.99 COc1ccc(c(n1)OC)C(=O)O TS59934 [0,2,0,0,0,0|1,0,0]=3 1814 B13R1.165 B(c1cc(ccc1C(=O)O)F)(O)O TS48506 [0,2,0,0,0,0|1,0,0]=3 1815 B13R1.165 Cc1ccc(c(c1)C(=O)O)C(=O)O TS14541 [0,2,0,0,0,0|1,0,0]=3 1816 B13R1.165 Cc1ccc(c(c1)[N+](=O)[O-])C(=O)O TS48046 [0,2,0,0,0,0|1,0,1]=4 1817 B13R1.165 Cc1ccc(c(n1)C(=O)O)C(=O)O TS55626 [0,2,0,0,0,0|2,0,0]=4 1818 B13R1.165 c1c(c(cnc1Cl)C(=O)O)C(=O)O TS19271 [0,2,0,0,0,0|2,0,0]=4 1819 B13R1.165 c1c(c(cnc1S)C(=O)O)C(=O)O TS37712 [0,2,0,0,0,0|1,1,0]=4 1820 B13R1.165 c1cc(c(cc1Br)C(=O)O)C(=O)O TS60053 [0,2,0,0,0,0|1,0,0]=3 1821 B13R1.165 c1cc(c(cc1Br)[N+](=O)[O-])C(=O)O TS70968 [0,2,0,0,0,0|1,0,1]=4 1822 B13R1.165 c1cc(c(cc1Cl)C(=O)O)C(=O)O TS37986 [0,2,0,0,0,0|1,0,0]=3 1823 B13R1.165 c1cc(c(cc1Cl)C(=O)O)C(=O)[O-] TS23570 [0,2,0,0,0,0|1,0,1]=4 1824 B13R1.165 c1cc(c(cc1Cl)[N+](=O)[O-])C(=O)O TS39745 [0,2,0,0,0,0|1,0,1]=4 1825 B13R1.165 c1cc(c(cc1F)C(=O)O)C(=O)O TS60408 [0,2,0,0,0,0|1,0,0]=3 1826 B13R1.165 c1cc(c(cc1F)[N+](=O)[O-])C(=O)O TS09706 [0,2,0,0,0,0|1,0,1]=4 1827 B13R1.165 c1cc(c(cc1I)C(=O)O)C(=O)O TS35473 [0,2,0,0,0,0|1,0,0]=3 1828 B13R1.165 c1cc(c(cc1N)C(=O)O)C(=O)O TS14744 [0,2,0,0,0,0|1,0,0]=3 1829 B13R1.165 c1cc(c(cc1N)[N+](=O)[O-])C(=O)O TS39463 [0,2,0,0,0,0|1,0,1]=4 1830 B13R1.165 c1cc(c(cc1O)C(=O)O)C(=O)O TS59619 [0,2,0,0,0,0|0,0,0]=2 1831 B13R1.165 c1cc(c(cc1O)C(=O)O)[N+](=O)[O-] TS03330 [0,2,0,0,0,0|1,0,1]=4 1832 B13R1.165 c1cc(c(cc1O)[N+](=O)[O-])C(=O)O TS03108 [0,2,0,0,0,0|0,0,1]=3 1833 B13R1.356 CCOc1cc(ncc1C(=O)O)Cl TS38156 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl TS65234 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br TS56285 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.2065 COc1cc(ccc1C(=O)OC)Br TS62114 [0,2,0,0,0,0|1,0,0]=3 1837 B13R1.2065 COc1cc(ccc1C(=O)OC)F TS48542 [0,2,0,0,0,0|1,0,0]=3 1838 B13R1.2065 COc1cc(ccc1C(=O)OC)I TS39546 [0,2,0,0,0,0|1,0,0]=3 1839 B13R1.2065 COc1cc(ccc1C(=O)OC)N TS39544 [0,2,0,0,0,0|1,0,0]=3 1840 B13R1.2065 Cc1ccc(c(c1)OC)C(=O)OC TS32824 [0,2,0,0,0,0|1,0,0]=3 1841 B13R1.2398 COc1cc(c(cc1C(=O)O)Cl)N TS38155 [0,2,0,0,0,0|1,0,0]=3 1842 B13R1.2398 Cc1cc(c(cc1C)OC)C(=O)C TS14216 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.3158 COc1c(ccc(c1F)F)C(=O)O TS50666 [0,2,0,0,0,0|1,0,0]=3 1844 B13R1.651 COc1cc(c(cc1F)N)C(=O)O TS89032 [0,2,0,0,0,0|2,0,0]=4 1845 B13R1.651 Cc1cc(c(cc1OC)C(=O)C)O TS14575 [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.651 c1c(c(cc(c1[N+](=O)[O-])O)O)C=O TS48391 [0,2,0,0,0,0|1,0,1]=4 1847 B13R1.652 COc1cc(c(cc1F)C(=O)O)N TS92046 [0,2,0,0,0,0|1,0,0]=3 1848 B13R1.1807 COC(=O)c1cc(c(cc1F)F)N TS39547 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.1807 COC(=O)c1cc(c(cc1N)F)F TS56243 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.1807 COC(=O)c1cc(c(cc1O)O)Br TS62387 [0,2,0,0,0,0|0,0,0]=2 1851 B13R1.1807 COC(=O)c1cc(c(cc1O)O)I TS58449 [0,2,0,0,0,0|0,0,0]=2 1852 B13R1.1807 Cc1cc(c(cc1Br)C(=O)OC)O TS27260 [0,2,0,0,0,0|1,0,0]=3 1853 B13R1.1807 Cc1cc(c(cc1C(=O)OC)Br)C TS57811 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.1807 Cc1cc(c(cc1C(=O)OC)Br)N TS61953 [0,2,0,0,0,0|2,0,0]=4 1855 B13R1.1807 Cc1cc(c(cc1C(=O)OC)I)C TS58069 [0,2,0,0,0,0|2,0,0]=4 1856 B13R1.1807 Cc1cc(c(cc1C(=O)OC)I)N TS58138 [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.1807 Cc1cc(c(cc1Cl)C(=O)CBr)O TS29965 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.1807 Cc1cc(c(cc1I)C(=O)OC)O TS58250 [0,2,0,0,0,0|1,0,0]=3 1859 B13R1.1807 Cc1cc(c(cc1N)C)C(=O)OC TS39543 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.2811 Cc1c(c(cc(c1F)F)C(=O)O)F TS00580 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.2811 c1c(c(c(c(c1Cl)Cl)Cl)Cl)C(=O)O TS68326 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.2811 c1c(c(c(c(c1Cl)Cl)Cl)N)C(=O)O TS26593 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.2811 c1c(c(c(c(c1F)Cl)N)Cl)C(=O)O TS50399 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.2811 c1c(c(c(c(c1F)Cl)O)Cl)C(=O)O TS23942 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.2811 c1c(c(c(c(c1F)F)Br)F)C(=O)O TS28713 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.2811 c1c(c(c(c(c1F)F)F)N)C(=O)O TS17232 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.2811 c1c(c(c(c(c1F)F)N)F)C(=O)O TS51247 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.2811 c1c(c(c(c(c1F)F)O)F)C(=O)O TS39437 [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.2812 Cc1c(c(cc(c1F)F)F)C(=O)O TS17008 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.2812 Cc1cc(c(c(c1C(=O)O)O)C)O TS48236 [0,2,0,0,0,0|0,0,0]=2 1871 B13R1.2812 c1c(c(c(c(c1Br)N)Br)C(=O)O)Br TS80127 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.2812 c1c(c(c(c(c1Br)O)Br)C(=O)O)Br TS69031 [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.2812 c1c(c(c(c(c1Br)O)Br)C(=O)O)Br TS80180 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.2812 c1c(c(c(c(c1I)N)I)C(=O)O)I TS72843 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.2812 c1c(c(c(c(c1I)O)I)C(=O)O)I TS72856 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.95 COC(=O)c1ccc(cc1Br)CBr TS02315 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.95 COc1ccc(c(c1)F)C(=O)OC TS15242 [0,2,0,0,0,0|1,0,0]=3 1878 B13R1.95 COc1ccc(c(c1)N)C(=O)OC TS56245 [0,2,0,0,0,0|1,0,0]=3 1879 B13R1.95 COc1ccc(c(c1)O)C(=O)OC TS48233 [0,2,0,0,0,0|0,0,0]=2 1880 B13R1.95 Cc1cc(ccc1C(=O)OC)OC TS14586 [0,2,0,0,0,0|1,0,0]=3 1881 B13R1.120 B(c1ccc(c(c1)Cl)C(=O)O)(O)O TS09627 [0,2,0,0,0,0|1,0,0]=3 1882 B13R1.120 B(c1ccc(c(c1)F)C(=O)C)(O)O TS32621 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.120 B(c1ccc(c(c1)F)C(=O)O)(O)O TS48505 [0,2,0,0,0,0|1,0,0]=3 1884 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)O TS14774 [0,2,0,0,0,0|1,0,0]=3 1885 B13R1.120 Cc1cc(ccc1C(=O)O)[N+](=O)[O-] TS55447 [0,2,0,0,0,0|1,0,1]=4 1886 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(=O)O TS55174 [0,2,0,0,0,0|1,0,0]=3 1887 B13R1.120 c1cc(c(cc1C(=O)O)I)C(=O)O TS35472 [0,2,0,0,0,0|1,0,0]=3 1888 B13R1.120 c1cc(c(cc1C(=O)O)N)C(=O)O TS33223 [0,2,0,0,0,0|1,0,0]=3 1889 B13R1.120 c1cc(c(cc1C(=O)O)O)[N+](=O)[O-] TS70612 [0,2,0,0,0,0|1,0,1]=4 1890 B13R1.120 c1cc(c(cc1[N+](=O)[O-])Br)C(=O)O TS60264 [0,2,0,0,0,0|1,0,1]=4 1891 B13R1.120 c1cc(c(cc1[N+](=O)[O-])Cl)C(=O)O TS00069 [0,2,0,0,0,0|1,0,1]=4 1892 B13R1.120 c1cc(c(cc1[N+](=O)[O-])F)C(=O)O TS55347 [0,2,0,0,0,0|1,0,1]=4 1893 B13R1.120 c1cc(c(cc1[N+](=O)[O-])N)C(=O)O TS00755 [0,2,0,0,0,0|1,0,1]=4 1894 B13R1.120 c1cc(c(cc1[N+](=O)[O-])O)C(=O)O TS71264 [0,2,0,0,0,0|0,0,1]=3 1895 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C TS14611 [0,2,0,0,0,0|1,0,0]=3 1896 B13R1.385 CCOc1ccc(c(c1)O)C(=O)O TS48228 [0,2,0,0,0,0|0,0,0]=2 1897 B13R1.428 CC(=O)c1c(cc(cc1O)OC)O TS48235 [0,2,0,0,0,0|1,0,0]=3 1898 B13R1.428 COc1cc(c(c(c1)F)C(=O)O)F TS50662 [0,2,0,0,0,0|1,0,0]=3 1899 B13R1.428 c1c(cc(c(c1Cl)C(=O)O)Cl)C#N TS86224 [0,2,0,0,0,0|2,0,0]=4 1900 B13R1.428 c1c(cc(c(c1F)C(=O)O)F)C#N TS07787 [0,2,0,0,0,0|2,0,0]=4 1901 B13R1.3096 COc1ccc(c(c1F)F)C(=O)O TS02335 [0,2,0,0,0,0|1,0,0]=3 1902 B13R1.3096 COc1ccc(c(c1O)O)C(=O)O TS15240 [0,2,0,0,0,0|0,0,0]=2 1903 B13R1.3096 Cc1c(ccc(c1N)C(=O)C)OC TS08139 [0,2,0,0,0,0|2,0,0]=4 1904 B13R1.1808 CCC(=O)c1ccc(c(c1O)C)O TS47913 [0,2,0,0,0,0|1,0,0]=3 1905 B13R1.1808 COC(=O)c1ccc(c(c1F)F)N TS15762 [0,2,0,0,0,0|2,0,0]=4 1906 B13R1.1808 Cc1ccc(c(c1F)C)C(=O)OC TS14957 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.3230 COc1c(ccc(c1F)C(=O)O)Br TS60383 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.3230 COc1c(ccc(c1F)C(=O)O)F TS00625 [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.3230 c1cc(c(c(c1[N+](=O)[O-])O)C#N)O TS47825 [0,2,0,0,0,0|1,0,1]=4 1910 B13R1.4656 CCC(=O)c1c(cc(cc1O)O)O TS14933 [0,2,0,0,0,0|1,0,0]=3 1911 B13R1.4656 COC(=O)c1c(cc(cc1F)Br)F TS22720 [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.4656 COC(=O)c1c(cc(cc1O)O)O TS48525 [0,2,0,0,0,0|0,0,0]=2 1913 B13R1.4656 Cc1cc(c(c(c1)C)C(=O)OC)C TS14248 [0,2,0,0,0,0|2,0,0]=4 1914 B13R1.4656 Cc1cc(c(c(c1)O)C(=O)OC)O TS14916 [0,2,0,0,0,0|1,0,0]=3 1915 B13R1.1511 CCOC(=O)c1ccc(cc1C)C TS14227 [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)Cl TS49545 [0,2,0,0,0,0|2,0,0]=4 1917 B13R1.1511 CCOC(=O)c1ccc(cc1F)F TS48849 [0,2,0,0,0,0|2,0,0]=4 1918 B13R1.1511 CCOC(=O)c1ccc(cc1F)I TS35661 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.1511 CCOC(=O)c1ccc(cc1F)N TS55938 [0,2,0,0,0,0|2,0,0]=4 1920 B13R1.1511 CCOC(=O)c1ccc(cc1O)O TS14917 [0,2,0,0,0,0|0,0,0]=2 1921 B13R1.1511 CCOC(=O)c1cnc(cc1O)O TS01799 [0,2,0,0,0,0|1,0,0]=3 1922 B11R1.90 Cc1ccsc1C=CC(=O)O TS44886 [0,0,1,1,0,0|1,1,0]=4 1923 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,0,1,1,0,0|1,0,1]=4 1924 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [1,0,0,1,0,0|2,0,0]=4 1925 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [1,0,0,1,0,0|2,0,0]=4 1926 B11R2.36 c1cc2c(cc1O)non2 TS06043 [1,0,0,1,0,0|2,0,0]=4 1927 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [1,0,0,1,0,0|2,0,0]=4 1928 B11R2.36 c1cc2cnoc2cc1Cl TS10356 [1,0,0,1,0,0|2,0,0]=4 1929 B11R2.1 Cc1c2ccccc2on1 TS36752 [1,0,0,1,0,0|2,0,0]=4 1930 B11R2.1 Cc1coc2c1cccc2 TS36667 [1,0,0,1,0,0|2,0,0]=4 1931 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [1,0,0,1,0,0|2,0,0]=4 1932 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [1,0,0,1,0,0|1,0,0]=3 1933 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,1,0,0|2,0,0]=4 1934 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [1,0,0,1,0,0|1,0,0]=3 1935 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [1,0,0,1,0,0|1,0,0]=3 1936 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [1,0,0,1,0,0|1,1,0]=4 1937 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [1,0,0,1,0,0|0,2,0]=4 1938 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [1,0,0,1,0,0|2,0,0]=4 1939 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [1,0,0,1,0,0|2,0,0]=4 1940 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [1,0,0,1,0,0|1,1,0]=4 1941 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [1,0,0,1,0,0|2,0,0]=4 1942 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [1,0,0,1,0,0|2,0,0]=4 1943 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [1,0,0,1,0,0|2,0,0]=4 1944 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [1,0,0,1,0,0|1,0,0]=3 1945 B11R2.1 c1ccc2c(c1)non2=O TS06044 [1,0,0,1,0,0|2,0,0]=4 1946 B11R2.1 c1cncc2c1COC2=O TS05973 [1,0,0,1,0,0|2,0,0]=4 1947 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O TS93479 [0,0,0,1,0,1|2,0,0]=4 1948 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [0,0,0,1,0,1|2,0,0]=4 1949 B13R2.3683 c1cc(cc2c1cc(cc2)O)O TS42138 [0,0,0,1,0,1|2,0,0]=4 1950 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 TS33002 [0,0,0,1,0,1|2,0,0]=4 1951 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 TS42705 [0,0,0,1,0,1|2,0,0]=4 1952 B13R2.5179 c1cc2c(cc1Br)OCCC2=O TS16500 [0,1,0,1,0,0|2,0,0]=4 1953 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O TS55675 [0,1,0,1,0,0|2,0,0]=4 1954 B13R2.5179 c1cc2c(cc1F)OCCC2=O TS39797 [0,1,0,1,0,0|2,0,0]=4 1955 B13R2.5179 c1cc2c(cc1O)CCCC2=O TS55599 [0,1,0,1,0,0|2,0,0]=4 1956 B13R2.5179 c1cc2c(cc1O)CCNC2=O TS11705 [0,1,0,1,0,0|2,0,0]=4 1957 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1O TS11367 [0,1,0,1,0,0|2,0,0]=4 1958 B13R2.5179 c1cc2cc(ccc2c(c1)O)O TS46823 [0,1,0,1,0,0|2,0,0]=4 1959 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O TS11494 [0,1,0,1,0,0|1,0,1]=4 1960 B13R2.5187 c1cc2c(cc1Br)C(=O)OC2=O TS91472 [0,1,0,1,0,0|1,0,1]=4 1961 B13R2.5187 c1cc2c(cc1Cl)C(=O)OC2=O TS09685 [0,1,0,1,0,0|1,0,1]=4 1962 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O TS03102 [0,1,0,1,0,0|1,0,1]=4 1963 B13R2.5187 c1cc2c(cc1O)C(=O)OC2=O TS11794 [0,1,0,1,0,0|0,0,1]=3 1964 B13R2.2130 COc1ccc2c(c1)CCC2=O TS71585 [0,1,0,1,0,0|2,0,0]=4 1965 B13R2.2130 COc1ccc2c(c1)CNC2=O TS42562 [0,1,0,1,0,0|2,0,0]=4 1966 B13R2.2130 COc1ccc2c(c1)COC2=O TS42698 [0,1,0,1,0,0|1,0,0]=3 1967 B13R2.2130 Cc1c2ccc(cc2on1)OC TS11696 [0,1,0,1,0,0|2,0,0]=4 1968 B13R2.2130 c1cc2c(cc1C#N)COC2=O TS65156 [0,1,0,1,0,0|2,0,0]=4 1969 B13R2.5180 c1cc(c(c2c1C(=O)CO2)O)O TS12135 [0,1,0,1,0,0|1,0,0]=3 1970 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,0,0,0,1,0|2,0,0]=4 1971 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,0,0,0,1,0|2,0,0]=4 1972 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,0,0,0,1,0|2,0,0]=4 1973 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,0,0,0,1,0|2,0,0]=4 1974 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,0,0,0,1,0|2,0,0]=4 1975 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,0,0,0,1,0|2,0,0]=4 1976 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [1,0,0,0,1,0|2,0,0]=4 1977 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [1,0,0,0,1,0|2,0,0]=4 1978 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [1,0,0,0,1,0|2,0,0]=4 1979 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [1,0,0,0,1,0|2,0,0]=4 1980 B9R1.35 c1c(csc1C(=O)O)F TS09710 [1,0,0,0,1,0|2,0,0]=4 1981 B9R1.35 c1c(csc1C(=O)O)N TS14480 [1,0,0,0,1,0|2,0,0]=4 1982 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [1,0,0,0,1,0|2,0,0]=4 1983 B9R1.35 c1c(csc1F)C(=O)O TS87661 [1,0,0,0,1,0|2,0,0]=4 1984 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [1,0,0,0,1,0|2,0,0]=4 1985 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [1,0,0,0,1,0|2,0,0]=4 1986 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [1,0,0,0,1,0|2,0,0]=4 1987 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [1,0,0,0,1,0|2,0,0]=4 1988 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [1,0,0,0,1,0|2,0,0]=4 1989 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [1,0,0,0,1,0|2,0,0]=4 1990 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [1,0,0,0,1,0|2,0,0]=4 1991 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [1,0,0,0,1,0|2,0,0]=4 1992 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,0,0,0,1,0|2,0,0]=4 1993 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,0,0,0,1,0|2,0,0]=4 1994 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,0,0,0,1,0|2,0,0]=4 1995 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [1,0,0,0,1,0|2,0,0]=4 1996 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [1,0,0,0,1,0|2,0,0]=4 1997 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [1,0,0,0,1,0|2,0,0]=4 1998 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [1,0,0,0,1,0|2,0,0]=4 1999 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [1,0,0,0,1,0|2,0,0]=4 2000 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [1,0,0,0,1,0|2,0,0]=4 2001 B9R1.41 c1csc(c1C(=O)O)F TS07162 [1,0,0,0,1,0|2,0,0]=4 2002 B9R1.41 c1csc(c1C(=O)O)N TS55051 [1,0,0,0,1,0|2,0,0]=4 2003 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [1,0,0,0,1,0|2,0,0]=4 2004 B9R1.41 c1csc(c1F)C(=O)O TS70577 [1,0,0,0,1,0|2,0,0]=4 2005 B9R1.41 c1csc(c1I)C(=O)O TS28552 [1,0,0,0,1,0|2,0,0]=4 2006 B9R1.41 c1csc(c1N)C(=O)O TS14481 [1,0,0,0,1,0|2,0,0]=4 2007 B9R1.41 c1csc(c1N)C(=O)O TS40071 [1,0,0,0,1,0|2,0,0]=4 2008 B9R1.41 c1csc(c1O)C(=O)O TS40161 [1,0,0,0,1,0|1,0,0]=3 2009 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [1,0,0,0,0,1|2,0,0]=4 2010 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [1,0,0,0,0,1|2,0,0]=4 2011 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [1,0,0,0,0,1|2,0,0]=4 2012 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [1,0,0,0,0,1|1,0,0]=3 2013 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [1,0,0,0,0,1|1,0,1]=4 2014 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [1,0,0,0,0,1|2,0,0]=4 2015 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [1,0,0,0,0,1|2,0,0]=4 2016 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [1,0,0,0,0,1|2,0,0]=4 2017 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [1,0,0,0,0,1|2,0,0]=4 2018 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [1,0,0,0,0,1|2,0,0]=4 2019 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [1,0,0,0,0,1|1,0,0]=3 2020 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [1,0,0,0,0,1|1,1,0]=4 2021 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [1,0,0,0,0,1|2,0,0]=4 2022 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [1,0,0,0,0,1|2,0,0]=4 2023 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [1,0,0,0,0,1|2,0,0]=4 2024 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,0,0,0,0,1|2,0,0]=4 2025 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [1,0,0,0,0,1|2,0,0]=4 2026 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [1,0,0,0,0,1|1,0,0]=3 2027 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [1,0,0,0,0,1|1,1,0]=4 2028 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [1,0,0,0,0,1|2,0,0]=4 2029 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [1,0,0,0,0,1|2,0,0]=4 2030 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,0,0,0,0,1|2,0,0]=4 2031 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [1,0,0,0,0,1|2,0,0]=4 2032 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [1,0,0,0,0,1|2,0,0]=4 2033 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [1,0,0,0,0,1|2,0,0]=4 2034 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [1,0,0,0,0,1|2,0,0]=4 2035 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [1,0,0,0,0,1|1,0,0]=3 2036 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [1,0,0,0,0,1|1,0,0]=3 2037 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [1,0,0,0,0,1|1,0,0]=3 2038 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [1,0,0,0,0,1|1,0,0]=3 2039 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [1,0,0,0,0,1|1,0,0]=3 2040 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [1,0,0,0,0,1|1,0,0]=3 2041 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [1,0,0,0,0,1|0,0,0]=2 2042 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [1,0,0,0,0,1|0,1,0]=3 2043 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [1,0,0,0,0,1|2,0,0]=4 2044 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [1,0,0,0,0,1|2,0,0]=4 2045 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [1,0,0,0,0,1|2,0,0]=4 2046 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [1,0,0,0,0,1|2,0,0]=4 2047 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [1,0,0,0,0,1|1,1,0]=4 2048 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [1,0,0,0,0,1|2,0,0]=4 2049 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [1,0,0,0,0,1|2,0,0]=4 2050 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [1,0,0,0,0,1|2,0,0]=4 2051 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [1,0,0,0,0,1|2,0,0]=4 2052 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [1,0,0,0,0,1|2,0,0]=4 2053 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [1,0,0,0,0,1|2,0,0]=4 2054 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [1,0,0,0,0,1|1,0,1]=4 2055 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [1,0,0,0,0,1|2,0,0]=4 2056 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [1,0,0,0,0,1|2,0,0]=4 2057 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [1,0,0,0,0,1|2,0,0]=4 2058 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [1,0,0,0,0,1|2,0,0]=4 2059 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [1,0,0,0,0,1|2,0,0]=4 2060 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [1,0,0,0,0,1|2,0,0]=4 2061 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [1,0,0,0,0,1|2,0,0]=4 2062 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [1,0,0,0,0,1|2,0,0]=4 2063 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [1,0,0,0,0,1|2,0,0]=4 2064 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [1,0,0,0,0,1|1,0,0]=3 2065 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [1,0,0,0,0,1|2,0,0]=4 2066 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [1,0,0,0,0,1|2,0,0]=4 2067 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [1,0,0,0,0,1|2,0,0]=4 2068 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [1,0,0,0,0,1|2,0,0]=4 2069 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [1,0,0,0,0,1|1,0,0]=3 2070 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [1,0,0,0,0,1|2,0,0]=4 2071 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [1,0,0,0,0,1|2,0,0]=4 2072 B11R1.86 c1cc(c(nc1)CC(=O)O)Br TS87435 [1,0,0,0,0,1|2,0,0]=4 2073 B11R1.86 c1cc(c(nc1)CC(=O)O)Cl TS13072 [1,0,0,0,0,1|2,0,0]=4 2074 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [1,0,0,0,0,1|2,0,0]=4 2075 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [1,0,0,0,0,1|2,0,0]=4 2076 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [1,0,0,0,0,1|2,0,0]=4 2077 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [1,0,0,0,0,1|1,0,0]=3 2078 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [1,0,0,0,0,1|1,0,0]=3 2079 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [1,0,0,0,0,1|1,0,0]=3 2080 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [1,0,0,0,0,1|1,0,0]=3 2081 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [1,0,0,0,0,1|1,0,0]=3 2082 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [1,0,0,0,0,1|1,0,0]=3 2083 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [1,0,0,0,0,1|0,0,0]=2 2084 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [1,0,0,0,0,1|0,1,0]=3 2085 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [1,0,0,0,0,1|2,0,0]=4 2086 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [0,0,0,0,1,1|1,0,0]=3 2087 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,0,0,0,1,1|2,0,0]=4 2088 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,0,0,0,1,1|2,0,0]=4 2089 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,0,0,0,1,1|2,0,0]=4 2090 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,0,0,0,1,1|2,0,0]=4 2091 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,0,0,0,1,1|2,0,0]=4 2092 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,0,0,0,1,1|2,0,0]=4 2093 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O TS02575 [0,0,0,0,1,1|2,0,0]=4 2094 B11R1.74 c1c(cc(cc1Br)I)C(=O)O TS09339 [0,0,0,0,1,1|2,0,0]=4 2095 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [0,0,0,0,1,1|2,0,0]=4 2096 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [0,0,0,0,1,1|2,0,0]=4 2097 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [0,0,0,0,1,1|2,0,0]=4 2098 B11R1.74 c1c(cc(cc1F)Br)C(=O)O TS65928 [0,0,0,0,1,1|2,0,0]=4 2099 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [0,0,0,0,1,1|2,0,0]=4 2100 B11R1.74 c1c(cc(cc1F)F)C(=O)O TS65800 [0,0,0,0,1,1|2,0,0]=4 2101 B11R1.74 c1c(cc(cc1F)I)C(=O)O TS07838 [0,0,0,0,1,1|2,0,0]=4 2102 B11R1.74 c1c(cc(cc1I)I)C(=O)O TS02365 [0,0,0,0,1,1|2,0,0]=4 2103 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [0,0,0,0,1,1|2,0,0]=4 2104 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS00125 [0,0,0,0,1,1|2,0,0]=4 2105 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS23945 [0,0,0,0,1,1|2,0,0]=4 2106 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [0,0,0,0,1,1|1,0,0]=3 2107 B11R1.74 c1c(cc(cc1O)O)C(=O)N TS10292 [0,0,0,0,1,1|1,0,0]=3 2108 B11R1.74 c1c(cc(cc1O)O)C(=O)O TS16724 [0,0,0,0,1,1|0,0,0]=2 2109 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [0,0,0,0,1,1|1,0,0]=3 2110 B13R1.164 Cc1cc(ccc1OCC(=O)O)Cl TS19108 [0,0,0,0,0,2|2,0,0]=4 2111 B13R1.164 Cc1ccc(c(c1)C)C=CC(=O)O TS46115 [0,0,0,0,0,2|2,0,0]=4 2112 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)O TS47885 [0,0,0,0,0,2|2,0,0]=4 2113 B13R1.164 c1cc(c(cc1Br)Br)OCC(=O)O TS76372 [0,0,0,0,0,2|2,0,0]=4 2114 B13R1.164 c1cc(c(cc1Br)F)C=CC(=O)O TS60387 [0,0,0,0,0,2|2,0,0]=4 2115 B13R1.164 c1cc(c(cc1Cl)Cl)C=CC(=O)O TS22166 [0,0,0,0,0,2|2,0,0]=4 2116 B13R1.164 c1cc(c(cc1Cl)Cl)CCC(=O)O TS02498 [0,0,0,0,0,2|2,0,0]=4 2117 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O TS23223 [0,0,0,0,0,2|2,0,0]=4 2118 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O TS30243 [0,0,0,0,0,2|2,0,0]=4 2119 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O TS54491 [0,0,0,0,0,2|2,0,0]=4 2120 B13R1.164 c1cc(c(cc1Cl)F)C=CC(=O)O TS09001 [0,0,0,0,0,2|2,0,0]=4 2121 B13R1.164 c1cc(c(cc1Cl)F)CCC(=O)O TS38347 [0,0,0,0,0,2|2,0,0]=4 2122 B13R1.164 c1cc(c(cc1F)Br)C=CC(=O)O TS62108 [0,0,0,0,0,2|2,0,0]=4 2123 B13R1.164 c1cc(c(cc1F)Br)CCC(=O)O TS27554 [0,0,0,0,0,2|2,0,0]=4 2124 B13R1.164 c1cc(c(cc1F)Cl)C=CC(=O)O TS60275 [0,0,0,0,0,2|2,0,0]=4 2125 B13R1.164 c1cc(c(cc1F)Cl)SCC(=O)O TS23194 [0,0,0,0,0,2|2,0,0]=4 2126 B13R1.164 c1cc(c(cc1F)F)C=CC(=O)O TS07841 [0,0,0,0,0,2|2,0,0]=4 2127 B13R1.164 c1cc(c(cc1F)F)CCC(=O)O TS48853 [0,0,0,0,0,2|2,0,0]=4 2128 B13R1.164 c1cc(c(cc1O)O)C=CC(=O)O TS47855 [0,0,0,0,0,2|0,0,0]=2 2129 B13R1.164 c1cc(c(cc1O)O)CCC(=O)O TS14936 [0,0,0,0,0,2|0,0,0]=2