0 B11R1.3 B(c1ccc(cc1)C#N)(O)O TS03065 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 B(c1ccc(cc1)C=C)(O)O TS07399 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 B(c1ccc(cc1)C=O)(O)O TS85495 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 B(c1ccc(cc1)CBr)(O)O TS16901 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.3 B(c1ccc(cc1)CCl)(O)O TS45216 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 B(c1ccc(cc1)CN)(O)O TS08871 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.3 B(c1ccc(cc1)CN)(O)O TS40961 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [0,0,0,0,0,0|1,1,1]=3 11 B11R1.3 B(c1ccc(nc1)OC)(O)O TS50971 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.3 B(c1cnc(nc1)OC)(O)O TS55435 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.3 C#Cc1ccc(cc1)[N+](=O)[O-] TS07299 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.3 C=Cc1ccc(cc1)S(=O)[O-] TS17059 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,0,0,0,0,0|1,1,0]=2 24 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,0,0,0,0,0|1,0,1]=2 29 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,0,0,0,0,0|2,1,0]=3 34 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] TS88020 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,0,0,0,0,0|1,0,0]=1 41 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [0,0,0,0,0,0|2,0,1]=3 42 B11R1.3 CNc1ccc(cn1)[N+](=O)[O-] TS10301 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,0,0,0,0,0|2,0,0]=2 44 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,0,0,0,0,0|1,0,0]=1 45 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,0,0,0,0,0|1,0,0]=1 46 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,0,0,0,0,0|0,0,0]=0 47 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,0,0,0,0,0|0,0,1]=1 48 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,0,0,0,0,0|1,1,0]=2 49 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,0,0,0,0,0|1,0,1]=2 50 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,0,0,0,0,0|1,0,0]=1 51 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [0,0,0,0,0,0|2,1,0]=3 52 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] TS01097 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,0,0,0,0,0|1,0,0]=1 54 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,0,0,0,0,0|0,1,0]=1 56 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [0,0,0,0,0,0|1,1,1]=3 57 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [0,0,0,0,0,0|2,1,0]=3 58 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.3 [C-]#[N+]c1ccc(cc1)[N+](=O)[O-] TS40596 [0,0,0,0,0,0|2,0,2]=4 62 B11R1.3 c1c(cnc(n1)C#N)C(=O)O TS88990 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.3 c1cc(ccc1C#N)[N+](=O)[O-] TS60065 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [0,0,0,0,0,0|2,0,1]=3 71 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] TS09745 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,0,0,0,0,0|2,0,0]=2 75 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,0,0,0,0,0|2,0,0]=2 83 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,0,0,0,0,0|3,0,1]=4 86 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] TS10300 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] TS50984 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] TS25986 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] TS58528 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [0,0,0,0,0,0|2,0,1]=3 91 B11R1.3 c1cc(ccc1[N+](=O)[O-])SCl TS16245 [0,0,0,0,0,0|2,1,1]=4 92 B11R1.3 c1cc(ncc1C(=O)N)C#N TS07301 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.3 C1=CC(=NO)C=CC1=NO TS06241 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,0,0,0,0,0|1,0,2]=4 101 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,0,0,0,0,0|1,0,2]=4 102 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.3 CCc1ncc(cn1)C=O TS55317 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,0,0,0,0,0|1,0,1]=3 117 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,0,0,0,0,0|0,0,0]=1 119 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,0,0,0,0,0|1,0,1]=3 120 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,0,0,0,0,0|1,0,1]=3 121 B10R1.3 COc1ccc(cc1)CN TS03142 [1,0,0,0,0,0|1,0,1]=3 122 B10R1.3 COc1ccc(cc1)CS TS03144 [1,0,0,0,0,0|0,1,1]=3 123 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.3 COc1ccc(cc1)NN TS45874 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.3 COc1ccc(cc1)OC TS07887 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.3 COc1ccc(cc1)SC TS41410 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.3 COc1ccc(cn1)C#C TS88941 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.3 COc1ccc(cn1)C#N TS55433 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.3 COc1ccc(cn1)CN TS91541 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.3 COc1ccc(cn1)CO TS87332 [1,0,0,0,0,0|1,0,1]=3 135 B10R1.3 COc1ccc(cn1)NN TS71564 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.3 COc1ccc(nc1)C#N TS91172 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,0,0,0,0,0|1,0,0]=2 138 B10R1.3 COc1ccc(nc1)CCl TS90886 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.3 COc1ccc(nc1)CO TS91157 [1,0,0,0,0,0|1,0,1]=3 140 B10R1.3 COc1ccc(nc1)OC TS94185 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,0,0,0,0,0|1,1,1]=4 143 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,0,0,0,0,0|0,1,0]=2 144 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,0,0,0,0,0|1,1,1]=4 145 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,0,0,0,0,0|0,1,1]=3 146 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,0,0,0,0,0|2,1,0]=4 147 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,0,0,0,0,0|2,1,0]=4 148 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,0,0,0,0,0|2,1,0]=4 149 B10R1.3 CSc1ncc(cn1)C=O TS00520 [1,0,0,0,0,0|2,1,0]=4 150 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,0,0,0,0,0|1,0,1]=3 160 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [1,0,0,0,0,0|1,0,1]=3 164 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [1,0,0,0,0,0|1,1,1]=4 165 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [1,0,0,0,0,0|2,1,0]=4 167 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,0,0,0,0,0|1,0,1]=3 184 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,0,0,0,0,0|1,0,0]=2 194 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,0,0,0,0,0|1,0,0]=2 197 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,0,0,0,0,0|1,0,0]=2 198 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,0,0,0,0,0|0,0,0]=1 200 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,0,0,0,0,0|1,1,0]=3 201 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,0,0,0,0,0|1,0,1]=3 205 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,0,0,0,0,0|1,0,1]=3 213 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,0,0,0,0,0|1,0,1]=3 214 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,0,0,0,0,0|1,0,1]=3 215 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,0,0,0,0,0|2,0,1]=4 218 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,0,0,0,0,0|1,0,1]=3 219 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,0,0,0,0,0|1,0,0]=2 222 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [1,0,0,0,0,0|2,1,0]=4 223 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,0,0,0,0,0|1,0,0]=2 226 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [1,0,0,0,0,0|2,0,0]=3 241 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,0,0,0,0,0|1,0,1]=3 243 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,0,0,0,0,0|2,0,0]=3 262 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,0,0,0,0,0|1,0,0]=2 263 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,0,0,0,0,0|1,0,0]=2 264 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,0,0,0,0,0|1,0,0]=2 265 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,0,0,0,0,0|1,0,0]=2 266 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,0,0,0,0,0|1,0,0]=2 267 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,0,0,0,0,0|1,0,0]=2 268 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,0,0,0,0,0|1,0,0]=2 269 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,0,0,0,0,0|0,0,0]=1 270 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,0,0,0,0,0|0,1,0]=2 271 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,0,0,0,0,0|1,0,1]=3 272 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,0,0,0,0,0|1,0,1]=3 273 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,0,0,0,0,0|1,0,1]=3 274 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,0,0,0,0,0|0,0,1]=2 275 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,0,0,0,0,0|0,0,1]=2 276 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,0,0,0,0,0|2,1,0]=4 277 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,0,0,0,0,0|2,1,0]=4 278 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,0,0,0,0,0|2,1,0]=4 279 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,0,0,0,0,0|2,1,0]=4 280 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,0,0,0,0,0|1,1,0]=3 281 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,0,0,0,0,0|2,0,1]=4 283 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,0,0,0,0,0|2,0,1]=4 287 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,0,0,0,0,0|2,0,1]=4 288 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,0,0,0,0,0|2,0,1]=4 289 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,0,0,0,0,0|2,0,1]=4 290 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,0,0,0,0,0|1,0,1]=3 291 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,0,0,0,0,0|1,0,1]=3 292 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,0,0,0,0,0|1,1,1]=4 293 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,0,0,0,0,0|1,0,0]=2 305 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,0,0,0,0,0|1,1,0]=3 306 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,0,0,0,0,0|1,0,0]=2 312 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [1,0,0,0,0,0|2,0,1]=4 313 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [1,0,0,0,0,0|2,0,1]=4 314 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [1,0,0,0,0,0|2,0,0]=3 317 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,0,0,0,0,0|1,0,1]=3 318 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,1,0,0,0,0|1,0,0]=2 319 B12R1.5 CC[n+]1ccc(cc1)C(=O)OC TS58356 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.5 CCc1ccc(cc1)C(=O)NN TS11905 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.5 CCc1ccc(cc1)C(=O)OC TS11864 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.5 CNc1ccc(cc1)C(=O)OC TS12013 [0,1,0,0,0,0|1,0,0]=2 324 B12R1.5 COC(=O)c1ccc(cc1)C#C TS42145 [0,1,0,0,0,0|1,0,1]=3 325 B12R1.5 COC(=O)c1ccc(cc1)C#N TS16563 [0,1,0,0,0,0|2,0,0]=3 326 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,1,0,0,0,0|1,0,1]=3 327 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.5 COC(=O)c1ccc(cc1)CBr TS08583 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.5 COC(=O)c1ccc(cc1)CCl TS08584 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.5 COC(=O)c1ccc(cc1)CN TS38169 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.5 COC(=O)c1ccc(cc1)CO TS65237 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.5 COC(=O)c1ccc(cn1)CBr TS24821 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.5 COC(=O)c1ccc(nc1)CCl TS48793 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.5 COC(=O)c1ccc(nc1)CN TS43069 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.5 COC(=O)c1ccc(nc1)CO TS55610 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.5 COC(=O)c1cnc(nc1)SC TS15284 [0,1,0,0,0,0|2,1,0]=4 337 B12R1.5 COc1ccc(cc1)C(=NO)Cl TS15509 [0,1,0,0,0,0|1,0,0]=2 338 B12R1.5 COc1ccc(cc1)C(=O)C#N TS11379 [0,1,0,0,0,0|1,0,0]=2 339 B12R1.5 COc1ccc(cc1)C(=O)C=O TS14914 [0,1,0,0,0,0|0,0,1]=2 340 B12R1.5 COc1ccc(cc1)C(=O)CBr TS08327 [0,1,0,0,0,0|1,0,0]=2 341 B12R1.5 COc1ccc(cc1)C(=O)CCl TS03154 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.5 COc1ccc(cc1)C(=O)CO TS12163 [0,1,0,0,0,0|0,0,0]=1 343 B12R1.5 COc1ccc(cc1)C(=O)NN TS71218 [0,1,0,0,0,0|1,0,0]=2 344 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,1,0,0,0,0|0,0,0]=1 345 B12R1.5 COc1ccc(cc1)C(=S)SC TS18706 [0,1,0,0,0,0|0,2,0]=3 346 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,1,0,0,0,0|1,0,1]=3 347 B12R1.5 COc1ccc(cc1)[C@H](C#N)O TS42565 [0,1,0,0,0,0|1,0,1]=3 348 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,1,0,0,0,0|1,0,1]=3 349 B12R1.5 COc1ccc(cn1)C(=O)OC TS16597 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.5 COc1ccc(nc1)C(=O)OC TS85745 [0,1,0,0,0,0|1,0,0]=2 351 B12R1.5 CSc1ccc(cc1)C(=NO)N TS48300 [0,1,0,0,0,0|1,1,0]=3 352 B12R1.5 c1cc(ccc1C#N)C(=O)C=O TS11112 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS50405 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS85467 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.5 c1cc(ccc1C#N)C(=O)NO TS11517 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.6 CCc1ccc(cc1)S(=O)(=O)Cl TS38718 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.6 CCc1ccc(cc1)S(=O)(=O)N TS48745 [0,1,0,0,0,0|2,0,1]=4 358 B12R1.6 CCc1ccc(cc1)S(=O)(=O)O TS15627 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.6 CCc1ccc(cc1)S(=O)(=O)[O-] TS20525 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.6 CNc1ccc(cc1)S(=O)(=O)O TS50555 [0,1,0,0,0,0|2,0,0]=3 361 B12R1.6 COc1ccc(cc1)C(F)(F)F TS07768 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.6 COc1ccc(cc1)P(=O)(Cl)Cl TS52109 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.6 COc1ccc(cc1)P(=O)(O)O TS50656 [0,1,0,0,0,0|1,0,0]=2 364 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl TS39760 [0,1,0,0,0,0|1,0,1]=3 365 B12R1.6 COc1ccc(cc1)S(=O)(=O)N TS50554 [0,1,0,0,0,0|1,0,1]=3 366 B12R1.6 COc1ccc(cc1)[Si](C)(C)C TS47976 [0,1,0,0,0,0|2,1,0]=4 367 B12R1.6 COc1ccc(cn1)S(=O)(=O)Cl TS20434 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.6 [B-](c1ccc(cc1)OC)(F)(F)F TS39415 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.48 B(c1cc(c(nc1)OC)Cl)(O)O TS46454 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.48 B(c1cc(c(nc1)OC)F)(O)O TS39348 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.48 B(c1cc(c(nc1)OC)N)(O)O TS94665 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.48 B(c1ccc(c(c1)C)OC)(O)O TS71212 [0,1,0,0,0,0|1,0,1]=3 373 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O TS48977 [0,1,0,0,0,0|1,0,1]=3 374 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O TS85489 [0,1,0,0,0,0|1,0,1]=3 375 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O TS19640 [0,1,0,0,0,0|1,0,1]=3 376 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC TS60195 [0,1,0,0,0,0|1,0,0]=2 377 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC TS15382 [0,1,0,0,0,0|1,0,0]=2 378 B12R1.48 CC(=O)c1ccc(c(c1)F)OC TS65512 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.48 CC(=O)c1ccc(c(c1)I)OC TS31071 [0,1,0,0,0,0|1,0,0]=2 380 B12R1.48 CC(=O)c1ccc(c(c1)O)OC TS12200 [0,1,0,0,0,0|1,0,0]=2 381 B12R1.48 CC(c1ccc(c(c1)F)OC)N TS45010 [0,1,0,0,0,0|2,0,1]=4 382 B12R1.48 CCc1ccc(cc1Br)C(=O)O TS52793 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.48 CCc1ccc(cc1I)C(=O)O TS31070 [0,1,0,0,0,0|1,0,0]=2 384 B12R1.48 CCc1ccc(cc1N)C(=O)O TS08863 [0,1,0,0,0,0|1,0,0]=2 385 B12R1.48 CCc1ccc(cc1N)[N+](=O)[O-] TS12205 [0,1,0,0,0,0|2,0,1]=4 386 B12R1.48 CCc1ccc(cc1O)C(=O)O TS43034 [0,1,0,0,0,0|1,0,0]=2 387 B12R1.48 CNc1ccc(cc1Br)C(=O)O TS24819 [0,1,0,0,0,0|1,0,0]=2 388 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] TS48991 [0,1,0,0,0,0|2,0,1]=4 389 B12R1.48 CNc1ccc(cc1I)C(=O)O TS31198 [0,1,0,0,0,0|1,0,0]=2 390 B12R1.48 CNc1ccc(cc1N)C(=O)O TS12227 [0,1,0,0,0,0|1,0,0]=2 391 B12R1.48 CNc1ccc(cc1N)[N+](=O)[O-] TS43223 [0,1,0,0,0,0|2,0,1]=4 392 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl TS65155 [0,1,0,0,0,0|1,0,0]=2 393 B12R1.48 COc1c(cc(cn1)[N+](=O)[O-])Br TS65904 [0,1,0,0,0,0|2,0,1]=4 394 B12R1.48 COc1ccc(cc1Br)C(=N)N TS24663 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.48 COc1ccc(cc1Br)C(=O)O TS09328 [0,1,0,0,0,0|0,0,0]=1 396 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] TS53254 [0,1,0,0,0,0|1,0,1]=3 397 B12R1.48 COc1ccc(cc1Cl)C(=O)O TS15714 [0,1,0,0,0,0|0,0,0]=1 398 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] TS08830 [0,1,0,0,0,0|1,0,1]=3 399 B12R1.48 COc1ccc(cc1F)C(=O)O TS65513 [0,1,0,0,0,0|0,0,0]=1 400 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] TS55345 [0,1,0,0,0,0|1,0,1]=3 401 B12R1.48 COc1ccc(cc1I)C(=O)O TS39441 [0,1,0,0,0,0|0,0,0]=1 402 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] TS54200 [0,1,0,0,0,0|1,0,1]=3 403 B12R1.48 COc1ccc(cc1N)C(=O)N TS12206 [0,1,0,0,0,0|1,0,0]=2 404 B12R1.48 COc1ccc(cc1N)C(=O)O TS43206 [0,1,0,0,0,0|0,0,0]=1 405 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS01096 [0,1,0,0,0,0|1,0,1]=3 406 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS19862 [0,1,0,0,0,0|1,0,1]=3 407 B12R1.48 COc1ccc(cc1O)C(=O)O TS44828 [0,1,0,0,0,0|0,0,0]=1 408 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS12651 [0,1,0,0,0,0|1,0,1]=3 409 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS52156 [0,1,0,0,0,0|1,0,1]=3 410 B12R1.48 COc1ccc(nc1Br)C(=O)O TS53250 [0,1,0,0,0,0|1,0,0]=2 411 B12R1.48 C[C@@H](c1ccc(c(c1)F)OC)N TS45009 [0,1,0,0,0,0|2,0,1]=4 412 B12R1.48 Cc1c(ccc(n1)[N+](=O)[O-])OC TS12491 [0,1,0,0,0,0|2,0,1]=4 413 B12R1.48 Cc1cc(ccc1C#N)C(=O)O TS11368 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.48 Cc1cc(ccc1NC)[N+](=O)[O-] TS43057 [0,1,0,0,0,0|2,0,1]=4 415 B12R1.48 Cc1cc(ccc1OC)C(=O)O TS12189 [0,1,0,0,0,0|0,0,0]=1 416 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] TS12371 [0,1,0,0,0,0|1,0,1]=3 417 B12R1.48 Cc1cc(cnc1OC)[N+](=O)[O-] TS39277 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N TS07789 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.113 B(c1ccc(cc1)CCC)(O)O TS71288 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.113 B(c1ccc(cc1)COC)(O)O TS42982 [0,1,0,0,0,0|1,0,1]=3 422 B12R1.113 B(c1ccc(cc1)OCC)(O)O TS71100 [0,1,0,0,0,0|1,0,1]=3 423 B12R1.113 B(c1ccc(cc1)SCC)(O)O TS94891 [0,1,0,0,0,0|1,1,1]=4 424 B12R1.113 B(c1ccc(nc1)OCC)(O)O TS00994 [0,1,0,0,0,0|2,0,1]=4 425 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.113 CC(=O)c1ccc(cc1)N=C=O TS11375 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.113 CC(=O)c1ccc(cc1)OCF TS44847 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.113 CCCc1ccc(cc1)C(=O)Cl TS48367 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.113 CCCc1ccc(cc1)C(=O)N TS11728 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.113 CCCc1ccc(cc1)C(=O)O TS11894 [0,1,0,0,0,0|1,0,0]=2 433 B12R1.113 CCNc1ccc(cc1)C(=O)O TS12030 [0,1,0,0,0,0|1,0,0]=2 434 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] TS43074 [0,1,0,0,0,0|2,0,1]=4 435 B12R1.113 CCOc1ccc(cc1)C(=O)C TS42745 [0,1,0,0,0,0|1,0,0]=2 436 B12R1.113 CCOc1ccc(cc1)C(=O)C TS92946 [0,1,0,0,0,0|1,0,0]=2 437 B12R1.113 CCOc1ccc(cc1)C(=O)Cl TS71099 [0,1,0,0,0,0|1,0,0]=2 438 B12R1.113 CCOc1ccc(cc1)C(=O)N TS12024 [0,1,0,0,0,0|1,0,0]=2 439 B12R1.113 CCOc1ccc(cc1)C(=O)O TS12183 [0,1,0,0,0,0|0,0,0]=1 440 B12R1.113 CCOc1ccc(cc1)C(=S)N TS14828 [0,1,0,0,0,0|1,1,0]=3 441 B12R1.113 CCOc1ccc(cc1)[C@@H](C)N TS42940 [0,1,0,0,0,0|2,0,1]=4 442 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] TS43199 [0,1,0,0,0,0|1,0,1]=3 443 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] TS12497 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.113 CCSc1ccc(cc1)C(=O)O TS15007 [0,1,0,0,0,0|0,1,0]=2 445 B12R1.113 CNCc1ccc(cc1)N(=O)=O TS38356 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.113 c1cc(ccc1C(=O)Cl)N=C=O TS48144 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.113 c1cc(ccc1C(=O)O)N=C=S TS47710 [0,1,0,0,0,0|1,0,1]=3 448 B12R1.113 c1cc(ccc1C(=O)O)NC#N TS42409 [0,1,0,0,0,0|1,0,1]=3 449 B12R1.113 c1cc(ccc1CC#N)C(=O)O TS03062 [0,1,0,0,0,0|1,0,1]=3 450 B12R1.113 c1cc(ccc1CCBr)C(=O)O TS39728 [0,1,0,0,0,0|1,0,0]=2 451 B12R1.113 c1cc(ccc1CCBr)[N+](=O)[O-] TS59359 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.113 c1cc(ccc1CCCl)C(=O)O TS48660 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.113 c1cc(ccc1CCCl)[N+](=O)[O-] TS15523 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.113 c1cc(ccc1CCN)C(=O)O TS12022 [0,1,0,0,0,0|1,0,0]=2 455 B12R1.113 c1cc(ccc1CCN)C(=O)O TS19273 [0,1,0,0,0,0|1,0,0]=2 456 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS27571 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS43063 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] TS71258 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] TS12374 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.113 c1cc(ccc1CON)[N+](=O)[O-] TS19864 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.113 c1cc(ccc1[N+](=O)[O-])OC=O TS12348 [0,1,0,0,0,0|1,0,2]=4 462 B12R1.256 B(c1ccc(cc1)C(=O)Cl)(O)O TS07653 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O TS94588 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O TS93282 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O TS09732 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.256 B(c1ccc(cc1)S(=O)C)(O)O TS70777 [0,1,0,0,0,0|1,1,1]=4 467 B12R1.256 CC(=C)c1ccc(cc1)C(=C)C TS41961 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.256 CC(=O)c1ccc(cc1)C(=O)C TS42446 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O TS02948 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.256 CC(=O)c1ccc(cc1)N(C)C TS33161 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] TS11992 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.256 CC(C)c1ccc(cc1)C(=O)C TS39755 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.256 CC(C)c1ccc(cc1)C(=O)O TS39756 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.256 CC(C)c1ccc(cc1)[N+](=O)[O-] TS12015 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.256 CC(c1ccc(cc1)C(=O)O)Br TS52782 [0,1,0,0,0,0|1,0,0]=2 476 B12R1.256 CC(c1ccc(cc1)[N+](=O)[O-])O TS43217 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.256 CN(C)c1ccc(cc1)C(=N)N TS37815 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS22700 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS48491 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.256 CN(C)c1ccc(cc1)N(=O)=O TS12230 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.256 CS(=O)c1ccc(cc1)C(=O)O TS15277 [0,1,0,0,0,0|0,1,0]=2 482 B12R1.256 C[C@@H](c1ccc(cc1)[N+](=O)[O-])N TS94518 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS08915 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.256 C[C@H](c1ccc(cc1)[N+](=O)[O-])N TS22967 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.256 c1cc(ccc1C(=N)N)C(=O)N TS18895 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS19119 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS42708 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.256 c1cc(ccc1C(=O)Cl)C(=O)Cl TS38369 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.256 c1cc(ccc1C(=O)Cl)[N+](=O)[O-] TS15502 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.256 c1cc(ccc1C(=O)N)C(=O)N TS11833 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.256 c1cc(ccc1C(=O)N)C(=O)O TS11995 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] TS33170 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O TS16700 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS25699 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS60157 [0,1,0,0,0,0|2,0,0]=3 496 B12R1.256 c1cc(ccc1C(=O)S)C(=O)S TS54050 [0,1,0,0,0,0|2,1,0]=4 497 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS20847 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS46357 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] TS50655 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.256 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] TS19955 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.256 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] TS50862 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.256 c1cc(ncc1C(=O)O)C(=O)O TS59372 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.256 c1cc(ncc1C(=O)O)[N+](=O)[O-] TS09386 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.256 c1cc(ncc1[N+](=O)[O-])C(=O)O TS55493 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.452 B(c1ccc(cc1C)OC)(O)O TS32643 [0,1,0,0,0,0|1,0,1]=3 506 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O TS55225 [0,1,0,0,0,0|1,0,1]=3 507 B12R1.452 B(c1ccc(cc1F)OC)(O)O TS55338 [0,1,0,0,0,0|1,0,1]=3 508 B12R1.452 B(c1ccc(nc1C)OC)(O)O TS01257 [0,1,0,0,0,0|2,0,1]=4 509 B12R1.452 B(c1cnc(cc1C)OC)(O)O TS55612 [0,1,0,0,0,0|2,0,1]=4 510 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [0,1,0,0,0,0|1,0,0]=2 511 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [0,1,0,0,0,0|1,0,0]=2 512 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,1,0,0,0,0|1,0,0]=2 513 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [0,1,0,0,0,0|1,0,0]=2 515 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [0,1,0,0,0,0|0,0,0]=1 516 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [0,1,0,0,0,0|0,0,0]=1 517 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [0,1,0,0,0,0|1,0,0]=2 518 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [0,1,0,0,0,0|0,0,0]=1 519 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] TS02761 [0,1,0,0,0,0|1,0,1]=3 520 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] TS54202 [0,1,0,0,0,0|1,0,1]=3 521 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [0,1,0,0,0,0|1,0,0]=2 522 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [0,1,0,0,0,0|0,0,0]=1 523 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] TS03354 [0,1,0,0,0,0|1,0,1]=3 524 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [0,1,0,0,0,0|1,0,0]=2 525 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [0,1,0,0,0,0|0,0,0]=1 526 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [0,1,0,0,0,0|1,0,1]=3 527 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [0,1,0,0,0,0|1,0,0]=2 528 B12R1.452 COc1ccc(c(n1)Cl)[N+](=O)[O-] TS55267 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] TS00809 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.452 Cc1c(ccc(n1)OC)[N+](=O)[O-] TS01256 [0,1,0,0,0,0|2,0,1]=4 531 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC TS39450 [0,1,0,0,0,0|1,0,1]=3 532 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC TS12498 [0,1,0,0,0,0|2,0,1]=4 533 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [0,1,0,0,0,0|2,0,0]=3 534 B12R2.9 COc1ccc(cc1)[C@@H]2CO2 TS40847 [0,0,0,1,0,0|1,0,1]=3 535 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [0,0,0,1,0,0|1,0,1]=3 536 B10R1.31 CCc1[nH]cc(n1)C(=O)O TS37354 [0,0,0,0,1,0|3,0,0]=4 537 B10R1.31 CCc1cc([nH]n1)C(=O)O TS85081 [0,0,0,0,1,0|3,0,0]=4 538 B10R1.31 CCc1cc(no1)C(=O)O TS65159 [0,0,0,0,1,0|3,0,0]=4 539 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,0,0,0,1,0|2,0,0]=3 540 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,0,0,0,1,0|3,0,0]=4 541 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,0,0,0,1,0|2,0,0]=3 542 B10R1.31 COc1cc(on1)C(=O)O TS39312 [0,0,0,0,1,0|2,0,0]=3 543 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,0,0,0,1,0|1,1,0]=3 544 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [0,0,0,0,1,0|3,0,0]=4 545 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [0,0,0,0,1,0|3,0,0]=4 546 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [0,0,0,0,1,0|3,0,0]=4 547 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,0,0,0,1,0|3,0,0]=4 548 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,0,0,0,1,0|3,0,0]=4 549 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [0,0,0,0,1,0|3,0,0]=4 550 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,0,0,0,0,1|1,0,0]=2 551 B12R1.4 CC(=O)Nc1ccc(cc1)C#N TS42159 [0,0,0,0,0,1|3,0,0]=4 552 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,0,0,0,0,1|2,0,1]=4 553 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,0,0,0,0,1|3,0,0]=4 554 B12R1.4 CC(=O)Nc1ccc(cc1)CCl TS48490 [0,0,0,0,0,1|3,0,0]=4 555 B12R1.4 CC(=O)Nc1ccc(cc1)CN TS02940 [0,0,0,0,0,1|3,0,0]=4 556 B12R1.4 CC(=O)Nc1ccc(cc1)CO TS42884 [0,0,0,0,0,1|3,0,0]=4 557 B12R1.4 CC(=O)Nc1ccc(cc1)NN TS19291 [0,0,0,0,0,1|3,0,0]=4 558 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,0,0,0,0,1|1,0,0]=2 559 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,0,0,0,0,1|1,1,0]=3 560 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,0,0,0,0,1|2,0,1]=4 561 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,0,0,0,0,1|3,0,0]=4 562 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,0,0,0,0,1|3,0,0]=4 563 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,0,0,0,0,1|2,0,1]=4 564 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,0,0,0,0,1|2,0,1]=4 565 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,0,0,0,0,1|2,0,0]=3 566 B12R1.4 CCc1ccc(cc1)NC(=S)N TS14657 [0,0,0,0,0,1|2,1,0]=4 567 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,0,0,0,0,1|2,0,0]=3 568 B12R1.4 COc1ccc(cc1)CC(=O)Cl TS48666 [0,0,0,0,0,1|1,0,0]=2 569 B12R1.4 COc1ccc(cc1)CC(=O)N TS12026 [0,0,0,0,0,1|1,0,0]=2 570 B12R1.4 COc1ccc(cc1)CC(=O)O TS12167 [0,0,0,0,0,1|0,0,0]=1 571 B12R1.4 COc1ccc(cc1)CC(=S)N TS14830 [0,0,0,0,0,1|1,1,0]=3 572 B12R1.4 COc1ccc(cc1)NC(=N)N TS12040 [0,0,0,0,0,1|2,0,0]=3 573 B12R1.4 COc1ccc(cc1)NC(=N)N TS19287 [0,0,0,0,0,1|2,0,0]=3 574 B12R1.4 COc1ccc(cc1)NC(=O)N TS12234 [0,0,0,0,0,1|1,0,0]=2 575 B12R1.4 COc1ccc(cc1)NC(=S)N TS48305 [0,0,0,0,0,1|1,1,0]=3 576 B12R1.4 COc1ccc(cc1)OC(=O)Cl TS15706 [0,0,0,0,0,1|1,0,0]=2 577 B12R1.4 CSc1ccc(cc1)CC(=O)O TS70786 [0,0,0,0,0,1|0,1,0]=2 578 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,0,0,0,0,1|2,0,1]=4 579 B12R1.4 c1cc(ccc1CC(=O)O)C#N TS03064 [0,0,0,0,0,1|2,0,0]=3 580 B12R1.4 c1cc(ccc1CC(=O)O)CBr TS16900 [0,0,0,0,0,1|2,0,0]=3 581 B12R1.4 c1cc(ccc1CC(=O)O)CCl TS15379 [0,0,0,0,0,1|2,0,0]=3 582 B12R1.4 c1cc(ccc1CC(=O)O)CN TS12032 [0,0,0,0,0,1|2,0,0]=3 583 B12R1.4 c1cc(ccc1CC(=O)O)CO TS12166 [0,0,0,0,0,1|2,0,0]=3 584 B9R1.1 C#Cc1ccc(cc1)O TS71112 [2,0,0,0,0,0|1,0,1]=4 585 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,0]=3 590 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|2,0,0]=4 591 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|2,0,0]=4 592 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|2,0,0]=4 595 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,0]=3 596 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|1,1,0]=4 597 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.1 CCc1ccc(nc1)O TS04959 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 600 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 601 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 604 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 605 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|1,0,0]=3 606 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|1,0,0]=3 607 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|1,0,0]=3 608 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|1,0,0]=3 609 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|1,0,0]=3 610 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|1,0,0]=3 611 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|1,0,0]=3 612 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|1,0,0]=3 613 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|0,0,0]=2 614 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|0,1,0]=3 615 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|1,0,0]=3 616 B9R1.1 COc1ccc(cn1)Br TS09790 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.1 COc1ccc(cn1)Cl TS71503 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.1 COc1ccc(cn1)F TS71544 [2,0,0,0,0,0|2,0,0]=4 619 B9R1.1 COc1ccc(cn1)I TS01075 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.1 COc1ccc(cn1)N TS05017 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.1 COc1ccc(cn1)O TS71568 [2,0,0,0,0,0|1,0,0]=3 622 B9R1.1 COc1ccc(nc1)Br TS08354 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.1 COc1ccc(nc1)Cl TS00910 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.1 COc1ccc(nc1)N TS47440 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.1 COc1ccn(=O)cc1 TS71219 [2,0,0,0,0,0|1,0,0]=3 626 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|1,1,0]=4 627 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|1,1,0]=4 628 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|1,1,0]=4 629 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|1,1,0]=4 630 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|1,1,0]=4 631 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|0,1,0]=3 632 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|0,2,0]=4 633 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|1,1,0]=4 634 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|1,0,1]=4 635 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 636 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|1,0,0]=3 637 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|0,0,0]=2 638 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,1]=4 639 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,1]=4 640 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,1]=4 641 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|0,0,1]=3 642 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|0,1,1]=4 643 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,1]=4 644 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|0,0,1]=3 647 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|0,1,1]=4 648 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 650 B9R1.1 Cc1ccc(cn1)C=C TS55464 [2,0,0,0,0,0|2,0,0]=4 651 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|1,0,0]=3 652 B9R1.1 Cc1ccc(cn1)OC TS04979 [2,0,0,0,0,0|1,0,1]=4 653 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|1,0,0]=3 654 B9R1.1 Cc1cnc(cn1)C=O TS88939 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.1 Cc1cnc(nc1)C=O TS90871 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.1 Cc1ncc(cn1)C=O TS08763 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.1 c1cc(ccc1C#N)O TS03063 [2,0,0,0,0,0|1,0,1]=4 658 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 659 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 660 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 661 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 662 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 663 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 664 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|0,0,0]=2 665 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|0,0,0]=2 666 B9R1.1 c1cc(ccc1CBr)O TS16899 [2,0,0,0,0,0|1,0,1]=4 667 B9R1.1 c1cc(ccc1CN)O TS38524 [2,0,0,0,0,0|1,0,1]=4 668 B9R1.1 c1cc(ccc1CN)O TS71170 [2,0,0,0,0,0|1,0,1]=4 669 B9R1.1 c1cc(ccc1CO)Br TS16773 [2,0,0,0,0,0|1,0,1]=4 670 B9R1.1 c1cc(ccc1CO)Cl TS37684 [2,0,0,0,0,0|1,0,1]=4 671 B9R1.1 c1cc(ccc1CO)F TS36109 [2,0,0,0,0,0|1,0,1]=4 672 B9R1.1 c1cc(ccc1CO)I TS02234 [2,0,0,0,0,0|1,0,1]=4 673 B9R1.1 c1cc(ccc1CO)N TS70914 [2,0,0,0,0,0|1,0,1]=4 674 B9R1.1 c1cc(ccc1CO)O TS46479 [2,0,0,0,0,0|0,0,1]=3 675 B9R1.1 c1cc(ccc1CO)S TS37388 [2,0,0,0,0,0|0,1,1]=4 676 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|1,0,0]=3 677 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 679 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|1,0,0]=3 683 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 684 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|1,0,0]=3 686 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|1,0,1]=4 687 B9R1.6 B(c1ccccc1)(O)O TS59339 [2,0,0,0,0,0|1,0,1]=4 688 B9R1.6 C=C(c1ccccc1)Br TS48375 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.6 CC(=C)c1ccccc1 TS32349 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.6 CC(=O)c1ccccc1 TS32455 [2,0,0,0,0,0|1,0,0]=3 692 B9R1.6 CC(=O)c1ccccc1 TS32456 [2,0,0,0,0,0|1,0,0]=3 693 B9R1.6 CC(=O)c1ccccc1 TS38236 [2,0,0,0,0,0|1,0,0]=3 694 B9R1.6 CC(=O)c1ccccc1 TS55713 [2,0,0,0,0,0|1,0,0]=3 695 B9R1.6 CC(=O)c1ccccn1 TS04861 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.6 CC(=O)c1cccnc1 TS65831 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.6 CC(=O)c1ccncc1 TS02952 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.6 CC(c1ccccc1)O TS04908 [2,0,0,0,0,0|1,0,1]=4 699 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [2,0,0,0,0,0|1,0,1]=4 700 B9R1.6 C[C@H](c1ccccc1)O TS04906 [2,0,0,0,0,0|1,0,1]=4 701 B9R1.6 c1c(cncn1)C(=O)O TS11330 [2,0,0,0,0,0|2,0,0]=4 702 B9R1.6 c1c(cncn1)C(=O)O TS88781 [2,0,0,0,0,0|2,0,0]=4 703 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [2,0,0,0,0,0|1,0,0]=3 709 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [2,0,0,0,0,0|1,0,1]=4 710 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [2,0,0,0,0,0|1,0,1]=4 711 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [2,0,0,0,0,0|1,0,1]=4 712 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [2,0,0,0,0,0|1,1,0]=4 713 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [2,0,0,0,0,0|2,0,0]=4 717 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [2,0,0,0,0,0|1,0,0]=3 718 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [2,0,0,0,0,0|1,0,0]=3 719 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [2,0,0,0,0,0|1,0,0]=3 720 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [2,0,0,0,0,0|1,0,0]=3 721 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [2,0,0,0,0,0|0,0,0]=2 722 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [2,0,0,0,0,0|0,0,0]=2 723 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [2,0,0,0,0,0|0,0,0]=2 724 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [2,0,0,0,0,0|0,0,0]=2 725 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [2,0,0,0,0,0|0,0,0]=2 726 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [2,0,0,0,0,0|0,0,1]=3 727 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [2,0,0,0,0,0|0,0,1]=3 728 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [2,0,0,0,0,0|0,0,1]=3 729 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [2,0,0,0,0,0|0,0,1]=3 730 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [2,0,0,0,0,0|0,0,1]=3 731 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [2,0,0,0,0,0|1,1,0]=4 732 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [2,0,0,0,0,0|0,1,0]=3 733 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [2,0,0,0,0,0|1,0,1]=4 734 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [2,0,0,0,0,0|1,0,0]=3 735 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [2,0,0,0,0,0|1,0,1]=4 736 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [2,0,0,0,0,0|1,0,1]=4 737 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [2,0,0,0,0,0|1,0,1]=4 738 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [2,0,0,0,0,0|1,0,1]=4 739 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [2,0,0,0,0,0|1,0,1]=4 740 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [2,0,0,0,0,0|2,0,0]=4 741 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [2,0,0,0,0,0|1,0,0]=3 743 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [2,0,0,0,0,0|1,0,1]=4 744 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [2,0,0,0,0,0|1,0,1]=4 745 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [2,0,0,0,0,0|1,0,1]=4 746 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [2,0,0,0,0,0|1,0,1]=4 747 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [2,0,0,0,0,0|1,0,1]=4 748 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [2,0,0,0,0,0|2,0,0]=4 749 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [2,0,0,0,0,0|2,0,0]=4 750 B9R1.6 c1cnccc1C(=O)Cl TS46358 [2,0,0,0,0,0|2,0,0]=4 751 B9R1.6 c1cnccc1C(=O)N TS74511 [2,0,0,0,0,0|2,0,0]=4 752 B9R1.6 c1cnccc1C(=O)O TS01508 [2,0,0,0,0,0|1,0,0]=3 753 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [2,0,0,0,0,0|1,0,1]=4 754 B9R1.6 c1cncnc1C(=O)O TS90236 [2,0,0,0,0,0|2,0,0]=4 755 B9R1.6 c1cnncc1C(=O)O TS59368 [2,0,0,0,0,0|2,0,0]=4 756 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [1,1,0,0,0,0|1,0,0]=3 757 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [1,1,0,0,0,0|1,0,0]=3 758 B11R1.83 CCCc1ccc(cc1)OC TS40915 [1,1,0,0,0,0|1,0,1]=4 759 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [1,1,0,0,0,0|1,0,1]=4 760 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [1,1,0,0,0,0|1,0,1]=4 761 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [1,1,0,0,0,0|0,0,0]=2 763 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [1,1,0,0,0,0|1,0,1]=4 764 B11R1.83 CCOc1ccc(cc1)CO TS10188 [1,1,0,0,0,0|0,0,1]=3 765 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [1,1,0,0,0,0|0,1,0]=3 767 B11R1.83 CCc1ccc(cc1)N=C=O TS40535 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.83 CCc1ccc(cc1)OCC TS40919 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.83 CNCc1ccc(cc1)OC TS03152 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.83 CNCc1ccc(cc1)OC TS03153 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [1,1,0,0,0,0|1,0,0]=3 772 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [1,1,0,0,0,0|1,0,0]=3 773 B11R1.83 COc1ccc(cc1)CC#N TS39555 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.83 COc1ccc(cc1)CC=C TS07478 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.83 COc1ccc(cc1)CC=O TS09869 [1,1,0,0,0,0|0,0,0]=2 776 B11R1.83 COc1ccc(cc1)CCCl TS12933 [1,1,0,0,0,0|1,0,1]=4 777 B11R1.83 COc1ccc(cc1)CCO TS41151 [1,1,0,0,0,0|0,0,1]=3 778 B11R1.83 COc1ccc(cc1)CNN TS87992 [1,1,0,0,0,0|1,0,1]=4 779 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [1,1,0,0,0,0|0,0,1]=3 780 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [1,1,0,0,0,0|1,0,1]=4 781 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [1,1,0,0,0,0|0,0,1]=3 782 B11R1.83 COc1ccc(cc1)N=C=S TS42930 [1,1,0,0,0,0|0,1,1]=4 783 B11R1.83 COc1ccc(cc1)NC=O TS41013 [1,1,0,0,0,0|0,0,0]=2 784 B11R1.83 CSc1ccc(cc1)N=C=O TS42925 [1,1,0,0,0,0|0,1,1]=4 785 B11R1.83 c1cc(ccc1CCN)CO TS16390 [1,1,0,0,0,0|1,0,1]=4 786 B11R1.279 CNc1ccc(cc1N)OC TS10200 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [1,1,0,0,0,0|1,0,0]=3 788 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.279 COc1c(cc(cn1)CO)Cl TS03266 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.279 COc1ccc(c(c1)Cl)C#N TS09276 [1,1,0,0,0,0|1,0,1]=4 792 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.279 COc1ccc(c(c1)F)C#N TS55335 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [1,1,0,0,0,0|0,0,0]=2 796 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [1,1,0,0,0,0|0,0,1]=3 798 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.279 COc1ccc(c(c1)N)C#N TS47403 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [1,1,0,0,0,0|0,0,0]=2 803 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [1,1,0,0,0,0|0,0,1]=3 804 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [1,1,0,0,0,0|0,0,0]=2 808 B11R1.279 COc1ccc(cc1Br)CN TS21977 [1,1,0,0,0,0|1,0,1]=4 809 B11R1.279 COc1ccc(cc1Br)CO TS59850 [1,1,0,0,0,0|0,0,1]=3 810 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [1,1,0,0,0,0|0,0,0]=2 812 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.279 COc1ccc(cc1F)C#N TS40985 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.279 COc1ccc(cc1F)CBr TS65514 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.279 COc1ccc(cc1F)CN TS41508 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.279 COc1ccc(cc1F)CO TS41603 [1,1,0,0,0,0|0,0,1]=3 818 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.279 COc1ccc(cc1I)C=O TS08986 [1,1,0,0,0,0|0,0,0]=2 820 B11R1.279 COc1ccc(cc1O)C#N TS70607 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.279 COc1ccc(cc1O)C=O TS70606 [1,1,0,0,0,0|0,0,0]=2 822 B11R1.279 COc1ccc(cc1O)CN TS16250 [1,1,0,0,0,0|1,0,1]=4 823 B11R1.279 COc1ccc(cc1O)CO TS10408 [1,1,0,0,0,0|0,0,1]=3 824 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [1,1,0,0,0,0|1,0,1]=4 825 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [1,1,0,0,0,0|0,0,0]=2 826 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [1,1,0,0,0,0|0,0,0]=2 828 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [1,1,0,0,0,0|1,0,1]=4 829 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [1,1,0,0,0,0|0,0,1]=3 830 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [1,1,0,0,0,0|1,0,0]=3 833 B11R1.279 c1cc(c(cc1C#N)F)C=O TS71087 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.279 c1cc(c(cc1C=O)F)C#N TS39660 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.279 c1cc(c(cc1C=O)I)C=O TS29409 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [1,1,0,0,0,0|1,0,1]=4 837 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [1,1,0,0,0,0|1,0,1]=4 839 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [1,1,0,0,0,0|1,0,0]=3 843 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [1,1,0,0,0,0|1,0,0]=3 845 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [1,1,0,0,0,0|1,0,0]=3 846 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [1,1,0,0,0,0|1,0,0]=3 847 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [1,1,0,0,0,0|1,0,0]=3 848 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [1,1,0,0,0,0|1,0,0]=3 849 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [1,1,0,0,0,0|1,0,0]=3 850 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [1,1,0,0,0,0|1,0,0]=3 853 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [1,1,0,0,0,0|1,0,1]=4 855 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [1,1,0,0,0,0|1,0,1]=4 857 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [1,1,0,0,0,0|1,0,1]=4 859 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [1,1,0,0,0,0|1,0,1]=4 860 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [1,1,0,0,0,0|1,0,1]=4 861 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [1,1,0,0,0,0|1,0,1]=4 870 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [1,1,0,0,0,0|1,0,1]=4 871 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [1,1,0,0,0,0|1,0,1]=4 872 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [1,1,0,0,0,0|1,0,1]=4 873 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [1,1,0,0,0,0|1,0,0]=3 874 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O TS01273 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.19 c1cc(ccc1Cl)[As](=O)(O)O TS25959 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.19 c1cc(ccc1F)S(=O)(=O)O TS46045 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.19 c1cc(ccc1N)S(=O)(=O)O TS02088 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.19 c1cc(ccc1N)[As](=O)(O)O TS22172 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [1,1,0,0,0,0|1,0,1]=4 880 B11R1.19 c1cc(ccc1O)S(=O)(=O)O TS13461 [1,1,0,0,0,0|1,0,0]=3 881 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS18192 [1,1,0,0,0,0|1,0,1]=4 882 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS67381 [1,1,0,0,0,0|1,0,1]=4 883 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] TS72457 [1,1,0,0,0,0|1,0,1]=4 884 B11R1.19 c1cc(ccc1O)[As](=O)(O)O TS49348 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.19 c1cc(ccc1S(=O)(=O)O)Br TS56897 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl TS71061 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.19 c1cc(ncc1O)S(=O)(=O)O TS13638 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.19 c1cc(ncc1S(=O)(=O)O)O TS13639 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [1,1,0,0,0,0|1,0,1]=4 890 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O TS65984 [1,1,0,0,0,0|1,0,1]=4 891 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O TS13248 [1,1,0,0,0,0|1,0,1]=4 892 B11R1.21 B(c1ccc(c(c1)F)O)(O)O TS02041 [1,1,0,0,0,0|1,0,1]=4 893 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS40959 [1,1,0,0,0,0|1,0,1]=4 894 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS50603 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [1,1,0,0,0,0|1,0,0]=3 901 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [1,1,0,0,0,0|1,0,0]=3 912 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [1,1,0,0,0,0|1,0,0]=3 917 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [1,1,0,0,0,0|1,0,0]=3 918 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [1,1,0,0,0,0|1,0,0]=3 919 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [1,1,0,0,0,0|0,0,0]=2 920 B11R1.21 Cc1cc(ccc1O)[N+](=O)[O-] TS55449 [1,1,0,0,0,0|1,0,1]=4 921 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [1,1,0,0,0,0|1,0,0]=3 922 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [1,1,0,0,0,0|0,0,0]=2 924 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [1,1,0,0,0,0|1,0,1]=4 925 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [1,1,0,0,0,0|1,0,0]=3 928 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [1,1,0,0,0,0|1,0,0]=3 929 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [1,1,0,0,0,0|1,0,0]=3 930 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [1,1,0,0,0,0|0,0,0]=2 931 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [1,1,0,0,0,0|1,1,0]=4 932 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [1,1,0,0,0,0|1,0,1]=4 933 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [1,1,0,0,0,0|1,0,0]=3 934 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [1,1,0,0,0,0|0,0,0]=2 935 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [1,1,0,0,0,0|1,0,1]=4 936 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [1,1,0,0,0,0|1,0,0]=3 938 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [1,1,0,0,0,0|1,0,0]=3 939 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [1,1,0,0,0,0|0,0,0]=2 940 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [1,1,0,0,0,0|1,1,0]=4 941 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [1,1,0,0,0,0|1,0,1]=4 942 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [1,1,0,0,0,0|0,0,0]=2 943 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [1,1,0,0,0,0|1,0,0]=3 945 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [1,1,0,0,0,0|0,0,0]=2 946 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [1,1,0,0,0,0|1,0,1]=4 947 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [1,1,0,0,0,0|0,0,0]=2 949 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [1,1,0,0,0,0|1,0,1]=4 950 B11R1.21 Cc1cnc(cn1=O)C(=O)O TS55719 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [1,1,0,0,0,0|1,0,1]=4 952 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [1,1,0,0,0,0|1,0,0]=3 953 B11R1.21 c1c(c(cnc1C(=O)O)Br)N TS88263 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [1,1,0,0,0,0|1,0,0]=3 957 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [1,1,0,0,0,0|2,0,0]=4 960 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [1,1,0,0,0,0|1,0,0]=3 971 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [1,1,0,0,0,0|1,0,0]=3 972 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [1,1,0,0,0,0|1,0,0]=3 973 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [1,1,0,0,0,0|1,0,0]=3 974 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [1,1,0,0,0,0|0,0,0]=2 975 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [1,1,0,0,0,0|1,0,0]=3 976 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [1,1,0,0,0,0|1,0,0]=3 977 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [1,1,0,0,0,0|1,0,0]=3 978 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [1,1,0,0,0,0|1,0,0]=3 979 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [1,1,0,0,0,0|0,0,0]=2 980 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [1,1,0,0,0,0|1,0,0]=3 981 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [1,1,0,0,0,0|1,0,0]=3 982 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [1,1,0,0,0,0|1,0,0]=3 983 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [1,1,0,0,0,0|1,0,0]=3 984 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [1,1,0,0,0,0|1,0,0]=3 985 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [1,1,0,0,0,0|0,0,0]=2 986 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [1,1,0,0,0,0|1,0,0]=3 987 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [1,1,0,0,0,0|1,0,0]=3 988 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [1,1,0,0,0,0|1,0,0]=3 989 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [1,1,0,0,0,0|1,0,0]=3 990 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [1,1,0,0,0,0|0,0,0]=2 991 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [1,1,0,0,0,0|1,0,0]=3 992 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [1,1,0,0,0,0|1,0,0]=3 993 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [1,1,0,0,0,0|1,0,0]=3 995 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [1,1,0,0,0,0|1,0,0]=3 996 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [1,1,0,0,0,0|0,0,0]=2 997 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [1,1,0,0,0,0|1,0,0]=3 998 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [1,1,0,0,0,0|1,0,0]=3 999 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [1,1,0,0,0,0|1,0,0]=3 1000 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [1,1,0,0,0,0|1,0,0]=3 1001 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [1,1,0,0,0,0|1,0,0]=3 1002 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [1,1,0,0,0,0|0,0,0]=2 1003 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [1,1,0,0,0,0|1,0,0]=3 1004 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [1,1,0,0,0,0|1,0,1]=4 1005 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [1,1,0,0,0,0|0,0,1]=3 1006 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O TS55107 [1,1,0,0,0,0|1,0,1]=4 1007 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O TS00892 [1,1,0,0,0,0|1,0,1]=4 1008 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)O TS02010 [1,1,0,0,0,0|1,0,1]=4 1009 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS00757 [1,1,0,0,0,0|1,0,1]=4 1010 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O TS13773 [1,1,0,0,0,0|1,0,1]=4 1011 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O TS09749 [1,1,0,0,0,0|1,0,1]=4 1012 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|1,0,0]=3 1016 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [1,1,0,0,0,0|1,0,0]=3 1020 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [1,1,0,0,0,0|1,0,0]=3 1022 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [1,1,0,0,0,0|1,0,1]=4 1023 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [1,1,0,0,0,0|1,0,0]=3 1024 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [1,1,0,0,0,0|1,0,0]=3 1025 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [1,1,0,0,0,0|1,0,0]=3 1026 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [1,1,0,0,0,0|1,0,0]=3 1027 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [1,1,0,0,0,0|1,0,0]=3 1028 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [1,1,0,0,0,0|1,0,0]=3 1029 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [1,1,0,0,0,0|0,0,0]=2 1030 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [1,1,0,0,0,0|0,0,0]=2 1031 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [1,1,0,0,0,0|0,0,0]=2 1032 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [1,1,0,0,0,0|1,0,0]=3 1036 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [1,1,0,0,0,0|1,0,0]=3 1041 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [1,1,0,0,0,0|1,0,1]=4 1043 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [1,1,0,0,0,0|1,0,0]=3 1046 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [1,1,0,0,0,0|1,0,0]=3 1047 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,1,0,0,0,0|0,0,1]=3 1048 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [1,1,0,0,0,0|1,0,0]=3 1049 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [1,1,0,0,0,0|1,0,0]=3 1051 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [1,1,0,0,0,0|1,0,0]=3 1052 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [1,1,0,0,0,0|0,0,0]=2 1053 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [1,1,0,0,0,0|1,0,0]=3 1055 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [1,1,0,0,0,0|0,0,0]=2 1056 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,1,0,0,0,0|0,0,0]=2 1057 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [1,1,0,0,0,0|1,0,1]=4 1058 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,1,0,0,0,0|1,0,0]=3 1059 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [1,1,0,0,0,0|1,0,1]=4 1060 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [1,1,0,0,0,0|1,0,0]=3 1061 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [1,1,0,0,0,0|1,0,0]=3 1070 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [1,1,0,0,0,0|1,0,1]=4 1074 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [1,1,0,0,0,0|1,0,1]=4 1075 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [1,1,0,0,0,0|1,0,1]=4 1076 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [1,1,0,0,0,0|1,0,1]=4 1077 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,1,0,0,0,0|0,0,1]=3 1078 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [1,1,0,0,0,0|1,0,0]=3 1086 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [1,1,0,0,0,0|1,0,0]=3 1090 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [1,1,0,0,0,0|1,0,0]=3 1091 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [1,1,0,0,0,0|1,0,0]=3 1092 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [1,1,0,0,0,0|1,0,0]=3 1093 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [1,1,0,0,0,0|1,0,0]=3 1098 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [1,1,0,0,0,0|0,0,0]=2 1099 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [1,1,0,0,0,0|1,0,1]=4 1100 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [1,1,0,0,0,0|1,0,1]=4 1101 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [1,1,0,0,0,0|1,0,1]=4 1102 B11R1.166 B(c1ccc(cc1C)O)(O)O TS03104 [1,1,0,0,0,0|1,0,1]=4 1103 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [1,1,0,0,0,0|1,0,1]=4 1104 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [1,1,0,0,0,0|1,0,1]=4 1105 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [1,1,0,0,0,0|1,0,1]=4 1106 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [1,1,0,0,0,0|1,0,0]=3 1111 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [1,1,0,0,0,0|1,0,0]=3 1116 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [1,1,0,0,0,0|1,0,0]=3 1117 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [1,1,0,0,0,0|1,0,0]=3 1121 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [1,1,0,0,0,0|1,0,0]=3 1124 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [1,1,0,0,0,0|1,0,0]=3 1125 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [1,1,0,0,0,0|1,0,0]=3 1126 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [1,1,0,0,0,0|1,0,0]=3 1127 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [1,1,0,0,0,0|1,0,0]=3 1130 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [1,1,0,0,0,0|1,0,0]=3 1132 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [1,1,0,0,0,0|1,0,0]=3 1133 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [1,1,0,0,0,0|0,0,0]=2 1136 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O TS39715 [1,1,0,0,0,0|1,0,1]=4 1137 B11R1.166 Cc1cc(cnc1C(=O)O)Br TS16975 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.166 Cc1cc(cnc1C(=O)O)Cl TS03270 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [1,1,0,0,0,0|1,0,0]=3 1140 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [1,1,0,0,0,0|0,0,0]=2 1143 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [1,1,0,0,0,0|1,0,0]=3 1144 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [1,1,0,0,0,0|1,0,0]=3 1145 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [1,1,0,0,0,0|0,0,0]=2 1146 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [1,1,0,0,0,0|1,0,1]=4 1147 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [1,1,0,0,0,0|1,0,1]=4 1148 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [1,1,0,0,0,0|0,0,0]=2 1149 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [1,1,0,0,0,0|1,0,1]=4 1150 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [1,1,0,0,0,0|0,0,0]=2 1151 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [1,1,0,0,0,0|1,0,1]=4 1152 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [1,1,0,0,0,0|1,0,1]=4 1153 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [1,1,0,0,0,0|1,0,0]=3 1154 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [1,1,0,0,0,0|0,0,0]=2 1155 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [1,1,0,0,0,0|1,0,1]=4 1156 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [1,1,0,0,0,0|1,0,0]=3 1157 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [1,1,0,0,0,0|1,0,0]=3 1158 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [1,1,0,0,0,0|0,0,0]=2 1159 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [1,1,0,0,0,0|1,0,0]=3 1160 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [1,1,0,0,0,0|1,0,0]=3 1162 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [1,1,0,0,0,0|1,0,0]=3 1163 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [1,1,0,0,0,0|1,0,0]=3 1164 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [1,1,0,0,0,0|1,0,0]=3 1169 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [1,1,0,0,0,0|1,0,0]=3 1170 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br TS02579 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl TS65780 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.166 c1c(cnc(c1F)C(=O)O)Br TS86981 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.166 c1c(cnc(c1F)C(=O)O)F TS02590 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.166 c1c(cnc(c1N)C(=O)O)Br TS89301 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS86310 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl TS89423 [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [1,1,0,0,0,0|1,0,0]=3 1178 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [1,1,0,0,0,0|1,0,0]=3 1179 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [1,1,0,0,0,0|1,0,0]=3 1181 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [1,1,0,0,0,0|1,0,0]=3 1182 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [1,1,0,0,0,0|1,0,0]=3 1183 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [1,1,0,0,0,0|1,0,0]=3 1184 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [1,1,0,0,0,0|1,0,0]=3 1185 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [1,1,0,0,0,0|1,0,0]=3 1186 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [1,1,0,0,0,0|1,0,0]=3 1189 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [1,1,0,0,0,0|1,0,0]=3 1191 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [1,1,0,0,0,0|1,0,0]=3 1192 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [1,1,0,0,0,0|1,0,0]=3 1193 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [1,1,0,0,0,0|1,0,0]=3 1194 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [1,1,0,0,0,0|1,0,0]=3 1196 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [1,1,0,0,0,0|1,0,0]=3 1199 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [1,1,0,0,0,0|1,0,0]=3 1202 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [1,1,0,0,0,0|1,0,1]=4 1203 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [1,1,0,0,0,0|1,0,0]=3 1204 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [1,1,0,0,0,0|1,0,0]=3 1205 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [1,1,0,0,0,0|1,0,0]=3 1206 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [1,1,0,0,0,0|1,0,0]=3 1207 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [1,1,0,0,0,0|1,0,0]=3 1208 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [1,1,0,0,0,0|1,0,0]=3 1209 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [1,1,0,0,0,0|1,0,0]=3 1210 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [1,1,0,0,0,0|1,0,0]=3 1211 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [1,1,0,0,0,0|1,0,0]=3 1212 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [1,1,0,0,0,0|1,0,0]=3 1213 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [1,1,0,0,0,0|1,0,0]=3 1214 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [1,1,0,0,0,0|1,0,0]=3 1215 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [1,1,0,0,0,0|1,0,1]=4 1216 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [1,1,0,0,0,0|1,0,1]=4 1217 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [1,1,0,0,0,0|1,0,1]=4 1218 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [1,1,0,0,0,0|0,0,0]=2 1219 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] TS02765 [1,1,0,0,0,0|1,0,1]=4 1220 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [1,1,0,0,0,0|1,0,0]=3 1221 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [1,1,0,0,0,0|0,0,0]=2 1222 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [1,1,0,0,0,0|1,0,0]=3 1225 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [1,1,0,0,0,0|1,0,0]=3 1228 B11R1.124 CCOc1ccc(o1)C(=O)O TS10661 [0,1,0,0,1,0|1,0,0]=3 1229 B11R1.124 COCc1nc(cs1)C(=O)O TS45609 [0,1,0,0,1,0|2,0,0]=4 1230 B11R1.175 CC(=O)c1cc([nH]c1)C(=O)O TS41240 [0,1,0,0,1,0|2,0,0]=4 1231 B11R1.175 CC(=O)c1ccc(s1)C(=O)O TS45121 [0,1,0,0,1,0|2,0,0]=4 1232 B13R1.4 COc1ccc(cc1)CP(=O)(O)O TS19331 [0,1,0,0,0,1|1,0,0]=3 1233 B13R1.5 CC(Cc1ccc(cc1)OC)C=O TS14230 [0,1,0,0,0,1|1,0,1]=4 1234 B13R1.5 CCC(=O)Nc1ccc(cc1)OC TS47733 [0,1,0,0,0,1|1,0,0]=3 1235 B13R1.5 CCC(=O)Oc1ccc(cc1)OC TS47912 [0,1,0,0,0,1|1,0,0]=3 1236 B13R1.5 COC(=O)Cc1ccc(cc1)C#N TS01636 [0,1,0,0,0,1|2,0,0]=4 1237 B13R1.5 COc1ccc(cc1)CC(=O)NN TS46546 [0,1,0,0,0,1|1,0,0]=3 1238 B13R1.5 COc1ccc(cc1)CC(=O)OC TS14607 [0,1,0,0,0,1|0,0,0]=2 1239 B13R1.5 COc1ccc(cc1)NC(=O)CBr TS61957 [0,1,0,0,0,1|1,0,0]=3 1240 B13R1.5 COc1ccc(cc1)NC(=O)CCl TS37797 [0,1,0,0,0,1|1,0,0]=3 1241 B13R1.5 COc1ccc(cc1)NC(=O)OC TS48078 [0,1,0,0,0,1|0,0,0]=2 1242 B13R1.5 COc1ccc(cc1)NC(=S)NN TS18484 [0,1,0,0,0,1|1,1,0]=4 1243 B13R1.35 CC(=O)Cc1ccc(c(c1)O)OC TS47882 [0,1,0,0,0,1|1,0,0]=3 1244 B13R1.35 CC(=O)Nc1ccc(c(c1)N)OC TS47927 [0,1,0,0,0,1|1,0,0]=3 1245 B13R1.35 CCc1ccc(cc1C)NC(=O)C TS46321 [0,1,0,0,0,1|2,0,0]=4 1246 B13R1.35 COc1ccc(cc1Br)CC(=O)O TS09330 [0,1,0,0,0,1|0,0,0]=2 1247 B13R1.35 COc1ccc(cc1F)CC(=C)Br TS27274 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.35 COc1ccc(cc1F)CC(=O)O TS48541 [0,1,0,0,0,1|0,0,0]=2 1249 B13R1.35 COc1ccc(cc1O)CC(=O)O TS00156 [0,1,0,0,0,1|0,0,0]=2 1250 B13R1.35 Cc1cc(ccc1OC)CC(=O)C TS14235 [0,1,0,0,0,1|1,0,0]=3 1251 B13R1.35 Cc1cc(ccc1OC)CC(=O)O TS07811 [0,1,0,0,0,1|0,0,0]=2 1252 B13R1.36 CC(c1ccc(cc1)CBr)C(=O)O TS57809 [0,1,0,0,0,1|2,0,0]=4 1253 B13R1.36 COc1ccc(cc1)C(C(=O)O)N TS48072 [0,1,0,0,0,1|0,0,0]=2 1254 B13R1.36 COc1ccc(cc1)C(C(=O)O)O TS14920 [0,1,0,0,0,1|0,0,0]=2 1255 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N TS48073 [0,1,0,0,0,1|0,0,0]=2 1256 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)O TS48231 [0,1,0,0,0,1|0,0,0]=2 1257 B13R1.142 CCCc1ccc(cc1)CC(=O)O TS47571 [0,1,0,0,0,1|1,0,0]=3 1258 B13R1.142 CCCc1ccc(cc1)NC(=O)C TS14071 [0,1,0,0,0,1|2,0,0]=4 1259 B13R1.142 CCOc1ccc(cc1)CC(=O)O TS14599 [0,1,0,0,0,1|0,0,0]=2 1260 B13R1.142 CCOc1ccc(cc1)NC(=O)C TS14397 [0,1,0,0,0,1|1,0,0]=3 1261 B13R1.142 CCOc1ccc(cc1)NC(=O)N TS47930 [0,1,0,0,0,1|1,0,0]=3 1262 B13R1.142 CCOc1ccc(cc1)NC(=S)N TS46716 [0,1,0,0,0,1|1,1,0]=4 1263 B13R1.142 c1cc(ccc1CCN)CC(=O)O TS47720 [0,1,0,0,0,1|1,0,0]=3 1264 B13R1.585 CC(=O)c1ccc(cc1)NC(=O)C TS14017 [0,1,0,0,0,1|2,0,0]=4 1265 B13R1.585 CC(=O)c1ccc(cc1)OC(=O)C TS14186 [0,1,0,0,0,1|2,0,0]=4 1266 B13R1.585 CC(C)c1ccc(cc1)CC(=O)C TS13904 [0,1,0,0,0,1|2,0,0]=4 1267 B13R1.585 CC(C)c1ccc(cc1)CC(=O)O TS09731 [0,1,0,0,0,1|1,0,0]=3 1268 B13R1.585 CC(C)c1ccc(cc1)NC(=O)C TS46320 [0,1,0,0,0,1|2,0,0]=4 1269 B13R1.585 CC(C)c1ccc(cc1)OC(=O)C TS14222 [0,1,0,0,0,1|2,0,0]=4 1270 B13R1.585 CN(C)c1ccc(cc1)CC(=O)O TS47731 [0,1,0,0,0,1|1,0,0]=3 1271 B13R1.585 c1cc(ccc1CC(=O)O)C(=N)N TS47525 [0,1,0,0,0,1|2,0,0]=4 1272 B13R1.585 c1cc(ccc1CC(=O)O)C(=O)O TS09628 [0,1,0,0,0,1|2,0,0]=4 1273 B13R1.585 c1cc(ccc1CC(=O)O)[N+](=O)[O-] TS60067 [0,1,0,0,0,1|2,0,0]=4 1274 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O TS27266 [0,1,0,0,0,1|0,0,0]=2 1275 B13R1.653 COc1ccc(c(c1)F)CC(=O)O TS59969 [0,1,0,0,0,1|0,0,0]=2 1276 B13R1.39 COc1ccc(cc1)C(=CO)C=O TS47508 [0,2,0,0,0,0|0,0,0]=2 1277 B13R1.39 COc1ccc(cc1)C(=NO)C#N TS46073 [0,2,0,0,0,0|1,0,0]=3 1278 B13R1.39 COc1ccc(cc1)C(C=O)C=O TS47522 [0,2,0,0,0,0|0,0,2]=4 1279 B13R1.39 COc1ccc(cc1)C(OC)OC TS00236 [0,2,0,0,0,0|0,0,2]=4 1280 B13R1.95 COC(=O)c1ccc(cc1Br)CBr TS02315 [0,2,0,0,0,0|2,0,0]=4 1281 B13R1.95 COc1ccc(c(c1)F)C(=O)OC TS15242 [0,2,0,0,0,0|0,0,0]=2 1282 B13R1.95 COc1ccc(c(c1)N)C(=O)OC TS56245 [0,2,0,0,0,0|0,0,0]=2 1283 B13R1.95 COc1ccc(c(c1)O)C(=O)OC TS48233 [0,2,0,0,0,0|0,0,0]=2 1284 B13R1.95 Cc1c(cnc(n1)OC)C(=O)OC TS14945 [0,2,0,0,0,0|2,0,0]=4 1285 B13R1.95 Cc1cc(ccc1C(=O)OC)OC TS14586 [0,2,0,0,0,0|0,0,0]=2 1286 B13R1.139 CCCc1ccc(cc1)C(=NO)C TS46309 [0,2,0,0,0,0|2,0,0]=4 1287 B13R1.139 CCOc1ccc(cc1)C(=O)C#N TS45946 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.139 CCOc1ccc(cc1)C(=O)C=O TS47524 [0,2,0,0,0,0|0,0,1]=3 1289 B13R1.139 CCOc1ccc(cc1)C(=O)NN TS16667 [0,2,0,0,0,0|1,0,0]=3 1290 B13R1.139 CCOc1ccc(cc1)C(=O)OC TS47891 [0,2,0,0,0,0|0,0,0]=2 1291 B13R1.139 COC(=O)c1ccc(cc1)CC#N TS01851 [0,2,0,0,0,0|1,0,1]=4 1292 B13R1.139 COC(=O)c1ccc(cc1)CCN TS14403 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.139 COC(=O)c1ccc(cc1)CCN TS44747 [0,2,0,0,0,0|1,0,0]=3 1294 B13R1.187 COc1ccc(cc1)S(=O)(=O)C=C TS54035 [0,2,0,0,0,0|1,0,1]=4 1295 B13R1.187 COc1ccc(cc1)S(=O)(=O)NN TS19396 [0,2,0,0,0,0|1,0,1]=4 1296 B13R1.452 CCCC(=O)c1ccc(cc1)OC TS14242 [0,2,0,0,0,0|1,0,0]=3 1297 B13R1.452 CCOC(=O)c1ccc(cc1)C#N TS45940 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.452 CCOC(=O)c1ccc(cc1)C=C TS13858 [0,2,0,0,0,0|1,0,1]=4 1299 B13R1.452 CCOC(=O)c1ccc(cc1)CBr TS57821 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.452 CCOC(=O)c1ccc(cc1)CCl TS54124 [0,2,0,0,0,0|2,0,0]=4 1301 B13R1.452 CCOC(=O)c1ccc(cc1)CN TS47748 [0,2,0,0,0,0|2,0,0]=4 1302 B13R1.452 CCOC(=O)c1ccc(cc1)OC TS47900 [0,2,0,0,0,0|0,0,0]=2 1303 B13R1.452 CCc1ccc(cc1)C(=O)OCC TS47569 [0,2,0,0,0,0|1,0,0]=3 1304 B13R1.452 COc1ccc(cc1)C(=O)CC#N TS13682 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.452 COc1ccc(cc1)C(=O)CCCl TS32934 [0,2,0,0,0,0|1,0,0]=3 1306 B13R1.452 COc1ccc(cc1)C(=O)N=C=S TS51649 [0,2,0,0,0,0|0,1,0]=3 1307 B13R1.452 COc1ccc(cc1)C(CCO)N TS48102 [0,2,0,0,0,0|1,0,1]=4 1308 B13R1.452 COc1ccc(cc1)[C@@H](CCO)N TS14816 [0,2,0,0,0,0|1,0,1]=4 1309 B13R1.452 COc1ccc(cc1)[C@H](CCO)N TS48115 [0,2,0,0,0,0|1,0,1]=4 1310 B13R1.537 B(c1ccc(cc1)C(=O)OC)(O)O TS94283 [0,2,0,0,0,0|1,0,1]=4 1311 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC TS08589 [0,2,0,0,0,0|1,0,0]=3 1312 B13R1.537 CC(C)c1ccc(cc1)C(=O)CBr TS57510 [0,2,0,0,0,0|2,0,0]=4 1313 B13R1.537 CC(C)c1ccc(cc1)C(=O)NN TS47577 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.537 CC(C)c1ccc(cc1)C(=O)OC TS14220 [0,2,0,0,0,0|1,0,0]=3 1315 B13R1.537 CN(C)c1ccc(cc1)C(=NO)N TS47757 [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.537 CN(C)c1ccc(cc1)C(=O)CBr TS26796 [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN TS59700 [0,2,0,0,0,0|2,0,0]=4 1318 B13R1.537 CN(C)c1ccc(cc1)C(=O)OC TS47747 [0,2,0,0,0,0|1,0,0]=3 1319 B13R1.537 CN(C=O)c1ccc(cc1)C(=O)O TS14366 [0,2,0,0,0,0|1,0,0]=3 1320 B13R1.537 COC(=O)c1ccc(cc1)C(=N)N TS26203 [0,2,0,0,0,0|2,0,0]=4 1321 B13R1.537 COC(=O)c1ccc(cc1)C(=O)Cl TS56229 [0,2,0,0,0,0|1,0,0]=3 1322 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[O-] TS22400 [0,2,0,0,0,0|0,0,1]=3 1323 B13R1.537 COC(=O)c1ccc(cc1)[N+](=O)[O-] TS14746 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.537 COC(=O)c1ccc(nc1)C(=O)O TS71322 [0,2,0,0,0,0|1,0,0]=3 1325 B13R1.537 c1cc(ccc1C(=O)CBr)C(=O)O TS70726 [0,2,0,0,0,0|1,0,0]=3 1326 B13R1.537 c1cc(ccc1C(=O)CO)[N+](=O)[O-] TS14734 [0,2,0,0,0,0|2,0,0]=4 1327 B13R1.537 c1cc(ccc1C(=O)ON)[N+](=O)[O-] TS93719 [0,2,0,0,0,0|2,0,0]=4 1328 B13R1.3088 CCc1ccc(cc1Br)C(=O)OC TS57816 [0,2,0,0,0,0|1,0,0]=3 1329 B13R1.3088 CCc1ccc(cc1I)C(=O)OC TS58062 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.3088 CNc1ccc(cc1Br)C(=O)OC TS61955 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.3088 CNc1ccc(cc1I)C(=O)OC TS58140 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CBr TS29963 [0,2,0,0,0,0|2,0,0]=4 1333 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN TS37806 [0,2,0,0,0,0|2,0,0]=4 1334 B13R1.3088 COC(=O)c1ccc(c(c1)F)C#N TS33069 [0,2,0,0,0,0|2,0,0]=4 1335 B13R1.3088 COC(=O)c1ccc(c(c1)F)CBr TS70993 [0,2,0,0,0,0|2,0,0]=4 1336 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO TS48237 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.3088 COc1ccc(cc1Br)C(=O)CBr TS60694 [0,2,0,0,0,0|1,0,0]=3 1338 B13R1.3088 COc1ccc(cc1Br)C(=O)CO TS27268 [0,2,0,0,0,0|0,0,0]=2 1339 B13R1.3088 COc1ccc(cc1Br)C(=O)OC TS39542 [0,2,0,0,0,0|0,0,0]=2 1340 B13R1.3088 COc1ccc(cc1Cl)C(=O)OC TS60144 [0,2,0,0,0,0|0,0,0]=2 1341 B13R1.3088 COc1ccc(cc1F)C(=O)OC TS15243 [0,2,0,0,0,0|0,0,0]=2 1342 B13R1.3088 COc1ccc(cc1I)C(=O)OC TS58249 [0,2,0,0,0,0|0,0,0]=2 1343 B13R1.3088 COc1ccc(cc1N)C(=O)OC TS59653 [0,2,0,0,0,0|0,0,0]=2 1344 B13R1.3088 COc1ccc(cc1O)C(=O)OC TS56274 [0,2,0,0,0,0|0,0,0]=2 1345 B13R1.38 COc1ccc(cc1Cl)S(=O)(=O)Cl TS57498 [0,2,0,0,0,0|1,0,1]=4 1346 B13R1.38 COc1ccc(cc1N)S(=O)(=O)F TS19953 [0,2,0,0,0,0|1,0,1]=4 1347 B13R1.38 COc1ccc(cc1N)S(=O)(=O)O TS38444 [0,2,0,0,0,0|1,0,0]=3 1348 B13R1.38 Cc1cc(ccc1OC)S(=O)(=O)Cl TS49874 [0,2,0,0,0,0|1,0,1]=4 1349 B13R1.38 Cc1cc(ccc1OC)S(=O)(=O)Cl TS49877 [0,2,0,0,0,0|1,0,1]=4 1350 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)Cl TS49876 [0,2,0,0,0,0|1,0,1]=4 1351 B13R1.140 c1cc(ccc1CCBr)S(=O)(=O)O TS68909 [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C TS03194 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)C TS54027 [0,2,0,0,0,0|1,1,0]=4 1354 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)Cl TS18383 [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)N TS46319 [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)O TS33176 [0,2,0,0,0,0|1,0,0]=3 1357 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[O-] TS37887 [0,2,0,0,0,0|1,0,1]=4 1358 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[O-] TS69843 [0,2,0,0,0,0|1,0,1]=4 1359 B13R1.338 CC(C)(C)c1ccc(cn1)C(=O)O TS85622 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.338 CS(=O)(=O)c1ccc(cc1)C(=O)O TS60364 [0,2,0,0,0,0|0,1,0]=3 1361 B13R1.338 c1cc(ccc1C(=O)O)C(F)(F)F TS39517 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.338 c1cc(ccc1C(=O)O)P(=O)(O)O TS38206 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.338 c1cc(ccc1C(=O)O)S(=O)(=O)Cl TS16904 [0,2,0,0,0,0|1,1,0]=4 1364 B13R1.338 c1cc(ccc1C(=O)O)S(=O)(=O)F TS38553 [0,2,0,0,0,0|1,1,0]=4 1365 B13R1.338 c1cc(ccc1C(=O)O)S(=O)(=O)N TS19199 [0,2,0,0,0,0|1,1,0]=4 1366 B13R1.120 B(c1ccc(c(c1)Cl)C(=O)O)(O)O TS09627 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.120 B(c1ccc(c(c1)F)C(=O)O)(O)O TS48505 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.120 B(c1ccc(cc1Cl)C(=O)O)(O)O TS09626 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.120 B(c1ccc(cc1F)C(=O)O)(O)O TS48507 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.120 B(c1ccc(cc1N)C(=O)O)(O)O TS22284 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.120 CC(C)c1ccc(c(=O)[nH]1)C(=O)O TS48075 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)O TS57812 [0,2,0,0,0,0|1,0,0]=3 1373 B13R1.120 CC(C)c1ccc(cc1I)C(=O)O TS58070 [0,2,0,0,0,0|1,0,0]=3 1374 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)O TS14774 [0,2,0,0,0,0|1,0,0]=3 1375 B13R1.120 CN(C)c1ccc(cc1Br)C(=O)O TS61954 [0,2,0,0,0,0|1,0,0]=3 1376 B13R1.120 CN(C)c1ccc(cc1I)C(=O)O TS58144 [0,2,0,0,0,0|1,0,0]=3 1377 B13R1.120 Cc1cc(ccc1C(=O)O)[N+](=O)[O-] TS55447 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)O TS93671 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.120 Cc1cc(ccc1[P+](=O)O)N(C)C TS37714 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(=O)O TS55174 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.120 c1cc(c(cc1C(=O)O)Br)C(F)F TS28134 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.120 c1cc(c(cc1C(=O)O)Br)[N+](=O)[O-] TS09462 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.120 c1cc(c(cc1C(=O)O)Cl)[N+](=O)[O-] TS65987 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.120 c1cc(c(cc1C(=O)O)F)[N+](=O)[O-] TS48695 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.120 c1cc(c(cc1C(=O)O)I)C(=O)O TS35472 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.120 c1cc(c(cc1C(=O)O)I)C(F)F TS56002 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.120 c1cc(c(cc1C(=O)O)N)C(=O)O TS33223 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.120 c1cc(c(cc1C(=O)O)N)[N+](=O)[O-] TS14888 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.120 c1cc(c(cc1C(=O)O)O)[N+](=O)[O-] TS70612 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.120 c1cc(c(cc1[N+](=O)[O-])Br)C(=O)O TS60264 [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.120 c1cc(c(cc1[N+](=O)[O-])Cl)C(=O)O TS00069 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.120 c1cc(c(cc1[N+](=O)[O-])F)C(=O)O TS55347 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.120 c1cc(c(cc1[N+](=O)[O-])N)C(=O)O TS00755 [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.120 c1cc(c(cc1[N+](=O)[O-])O)C(=O)O TS71264 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.144 B(c1ccc(c(c1)C)OCC)(O)O TS07659 [0,2,0,0,0,0|1,0,1]=4 1396 B13R1.144 B(c1ccc(c(c1)Cl)OCC)(O)O TS19093 [0,2,0,0,0,0|1,0,1]=4 1397 B13R1.144 CCCc1ccc(cc1Br)C(=O)O TS26966 [0,2,0,0,0,0|1,0,0]=3 1398 B13R1.144 CCCc1ccc(cc1I)C(=O)O TS58063 [0,2,0,0,0,0|1,0,0]=3 1399 B13R1.144 CCNc1ccc(cc1Br)C(=O)O TS61960 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.144 CCNc1ccc(cc1I)C(=O)O TS58139 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.144 CCOc1ccc(cc1Br)C(=O)O TS27259 [0,2,0,0,0,0|0,0,0]=2 1402 B13R1.144 CCOc1ccc(cc1I)C(=O)O TS58251 [0,2,0,0,0,0|0,0,0]=2 1403 B13R1.652 B(c1cc(c(cc1C)OC)C)(O)O TS40027 [0,2,0,0,0,0|1,0,1]=4 1404 B13R1.652 B(c1cc(c(cc1F)OC)Cl)(O)O TS38702 [0,2,0,0,0,0|1,0,1]=4 1405 B13R1.652 B(c1cc(c(cc1F)OC)F)(O)O TS15886 [0,2,0,0,0,0|1,0,1]=4 1406 B13R1.652 COc1cc(c(cc1F)C(=O)O)N TS92046 [0,2,0,0,0,0|0,0,0]=2 1407 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F TS93054 [0,2,0,0,0,0|1,0,1]=4 1408 B13R1.652 Cc1cc(c(cc1OC)N)[N+](=O)[O-] TS09145 [0,2,0,0,0,0|1,0,1]=4 1409 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)OC TS88599 [0,2,0,0,0,0|1,0,1]=4 1410 B13R1.3091 B(c1ccc(c(c1)C=O)OC)(O)O TS02774 [0,2,0,0,0,0|1,0,1]=4 1411 B13R1.3091 B(c1ccc(c(c1)CO)OC)(O)O TS94229 [0,2,0,0,0,0|1,0,1]=4 1412 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O TS02559 [0,2,0,0,0,0|1,0,1]=4 1413 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)OC TS85334 [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC TS02552 [0,2,0,0,0,0|1,0,0]=3 1415 B13R1.3091 COc1cc(ccc1CN)C(=O)O TS48083 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.3091 COc1ccc(cc1C=O)[N+](=O)[O-] TS14745 [0,2,0,0,0,0|1,0,1]=4 1417 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] TS62246 [0,2,0,0,0,0|1,0,1]=4 1418 B13R1.3091 COc1ccc(cc1OC)C(=N)N TS02554 [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.3091 COc1ccc(cc1OC)C(=O)Cl TS19109 [0,2,0,0,0,0|1,0,0]=3 1420 B13R1.3091 COc1ccc(cc1OC)C(=O)N TS48080 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.3091 COc1ccc(cc1OC)C(=O)O TS14931 [0,2,0,0,0,0|0,0,0]=2 1422 B13R1.3091 COc1ccc(cc1OC)C(=S)N TS18480 [0,2,0,0,0,0|1,1,0]=4 1423 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] TS15115 [0,2,0,0,0,0|1,0,1]=4 1424 B13R1.3091 COc1ccc(cc1[N+]#N)[N+](=O)[O-] TS47838 [0,2,0,0,0,0|1,0,1]=4 1425 B13R1.3096 B(c1ccc(c(c1F)F)OC)(O)O TS07692 [0,2,0,0,0,0|1,0,1]=4 1426 B13R1.3096 COc1ccc(c(c1F)F)C(=O)O TS02335 [0,2,0,0,0,0|0,0,0]=2 1427 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] TS16122 [0,2,0,0,0,0|1,0,1]=4 1428 B13R1.3096 COc1ccc(c(c1O)O)C(=O)O TS15240 [0,2,0,0,0,0|0,0,0]=2 1429 B13R1.3096 Cc1c(c(ccc1[N+](=O)[O-])OC)C TS02344 [0,2,0,0,0,0|1,0,1]=4 1430 B13R1.3096 Cc1c(ccc(c1N)C(=O)C)OC TS08139 [0,2,0,0,0,0|1,0,0]=3 1431 B13R1.3380 B(c1cc(c(c(c1)C)OC)C)(O)O TS22876 [0,2,0,0,0,0|1,0,1]=4 1432 B13R1.3380 CC(=O)c1cc(c(c(c1)F)OC)F TS02360 [0,2,0,0,0,0|1,0,0]=3 1433 B13R1.3380 COc1c(cc(cc1Br)C(=O)O)Br TS02349 [0,2,0,0,0,0|0,0,0]=2 1434 B13R1.3380 COc1c(cc(cc1Cl)C(=O)O)Cl TS23226 [0,2,0,0,0,0|0,0,0]=2 1435 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl TS23378 [0,2,0,0,0,0|1,0,1]=4 1436 B13R1.3380 COc1c(cc(cc1F)C(=O)O)F TS02361 [0,2,0,0,0,0|0,0,0]=2 1437 B13R1.3380 COc1c(cc(cc1I)[N+](=O)[O-])I TS69425 [0,2,0,0,0,0|1,0,1]=4 1438 B13R1.3380 COc1c(cc(cc1O)C(=O)O)O TS48529 [0,2,0,0,0,0|0,0,0]=2 1439 B13R1.3380 Cc1cc(cc(c1OC)C)C(=O)C TS16728 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.3380 Cc1cc(cc(c1OC)C)C(=O)O TS65806 [0,2,0,0,0,0|0,0,0]=2 1441 B13R1.3380 Cc1cc(cc(c1OC)C)[N+](=O)[O-] TS14766 [0,2,0,0,0,0|1,0,1]=4 1442 B13R1.3380 c1c(cc(c(c1F)C=O)F)C(=O)O TS15558 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.74 B(c1ccc(cc1)OCCC)(O)O TS71287 [0,2,0,0,0,0|1,0,1]=4 1444 B13R1.74 B(c1ccc(cc1)SCOC)(O)O TS18553 [0,2,0,0,0,0|1,0,1]=4 1445 B13R1.74 CC(=O)c1ccc(cc1)OCC#C TS13494 [0,2,0,0,0,0|1,0,0]=3 1446 B13R1.74 CCCCc1ccc(cc1)C(=O)C TS13903 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.74 CCCCc1ccc(cc1)C(=O)Cl TS18382 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.74 CCCCc1ccc(cc1)C(=O)N TS46317 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.74 CCCCc1ccc(cc1)C(=O)O TS14239 [0,2,0,0,0,0|1,0,0]=3 1450 B13R1.74 CCCCc1ccc(nc1)C(=O)O TS47741 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.74 CCCOc1ccc(cc1)C(=O)C TS14225 [0,2,0,0,0,0|1,0,0]=3 1452 B13R1.74 CCCOc1ccc(cc1)C(=O)Cl TS54125 [0,2,0,0,0,0|1,0,0]=3 1453 B13R1.74 CCCOc1ccc(cc1)C(=O)O TS47896 [0,2,0,0,0,0|0,0,0]=2 1454 B13R1.74 CCCOc1ccc(cc1)N(=O)=O TS14775 [0,2,0,0,0,0|1,0,1]=4 1455 B13R1.74 CCOCc1ccc(cc1)C(=O)O TS47892 [0,2,0,0,0,0|0,0,0]=2 1456 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCC#N TS47479 [0,2,0,0,0,0|1,0,1]=4 1457 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCCBr TS62243 [0,2,0,0,0,0|1,0,1]=4 1458 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCCCl TS55276 [0,2,0,0,0,0|1,0,1]=4 1459 B13R1.74 c1cc(ccc1[N+](=O)[O-])OCCO TS15110 [0,2,0,0,0,0|1,0,1]=4 1460 B13R1.385 B(c1ccc(cc1C)OCC)(O)O TS07657 [0,2,0,0,0,0|1,0,1]=4 1461 B13R1.385 B(c1ccc(cc1Cl)OCC)(O)O TS46503 [0,2,0,0,0,0|1,0,1]=4 1462 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] TS48711 [0,2,0,0,0,0|1,0,1]=4 1463 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C TS14611 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.385 CCOc1ccc(c(c1)O)C(=O)O TS48228 [0,2,0,0,0,0|0,0,0]=2 1465 B13R1.99 B(c1ccc(cc1C=O)OC)(O)O TS46407 [0,2,0,0,0,0|1,0,1]=4 1466 B13R1.99 B(c1ccc(cc1OC)OC)(O)O TS93239 [0,2,0,0,0,0|1,0,1]=4 1467 B13R1.99 CC(=O)c1ccc(cc1OC)OC TS32898 [0,2,0,0,0,0|1,0,0]=3 1468 B13R1.99 CNc1cc(ccc1[N+](=O)[O-])OC TS55468 [0,2,0,0,0,0|1,0,1]=4 1469 B13R1.99 COc1ccc(c(c1)C=O)[N+](=O)[O-] TS03351 [0,2,0,0,0,0|1,0,1]=4 1470 B13R1.99 COc1ccc(c(c1)OC)C(=N)N TS49186 [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.99 COc1ccc(c(c1)OC)C(=O)Cl TS19106 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.99 COc1ccc(c(c1)OC)C(=O)O TS59920 [0,2,0,0,0,0|0,0,0]=2 1473 B13R1.99 COc1ccc(c(c1)OC)C(=S)N TS18472 [0,2,0,0,0,0|1,1,0]=4 1474 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] TS15104 [0,2,0,0,0,0|1,0,1]=4 1475 B13R1.99 COc1ccc(c(c1)[N+]#N)C(=O)N TS83855 [0,2,0,0,0,0|1,0,0]=3 1476 B13R1.99 COc1ccc(c(n1)OC)C(=O)O TS59934 [0,2,0,0,0,0|1,0,0]=3 1477 B13R1.428 B(c1c(cc(cc1C)OC)C)(O)O TS07929 [0,2,0,0,0,0|1,0,1]=4 1478 B13R1.428 B(c1c(cc(cc1F)OC)F)(O)O TS07925 [0,2,0,0,0,0|1,0,1]=4 1479 B13R1.428 CC(=O)c1c(cc(cc1O)OC)O TS48235 [0,2,0,0,0,0|1,0,0]=3 1480 B13R1.428 COc1cc(c(c(c1)F)C(=O)O)F TS50662 [0,2,0,0,0,0|0,0,0]=2 1481 B13R1.428 c1c(cc(c(c1Cl)C(=O)O)Cl)C#N TS86224 [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.428 c1c(cc(c(c1F)C(=O)O)F)C#N TS07787 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,0,1,1,0,0|2,0,0]=4 1484 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,0,1,1,0,0|1,0,1]=4 1485 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,0,1,1,0,0|2,0,0]=4 1486 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,0,1,1,0,0|2,0,0]=4 1487 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,0,1,1,0,0|2,0,0]=4 1488 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,0,1,1,0,0|2,0,0]=4 1489 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,0,1,1,0,0|2,0,0]=4 1490 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [0,0,1,1,0,0|2,0,0]=4 1491 B11R2.190 c1cc2c(cc1C=O)C=C2 TS05540 [1,0,0,1,0,0|1,0,1]=4 1492 B13R2.2121 COc1ccc2=NC(=O)N=c2c1 TS42704 [0,0,0,1,0,1|1,0,0]=3 1493 B13R2.2121 COc1ccc2c(c1)CC(=O)C2 TS03349 [0,0,0,1,0,1|1,0,0]=3 1494 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 TS55619 [0,0,0,1,0,1|1,0,0]=3 1495 B13R2.2121 COc1ccc2c(c1)[nH]c(=S)[nH]2 TS93745 [0,0,0,1,0,1|1,1,0]=4 1496 B13R2.2121 COc1ccc2c(c1)[nH]c(n2)Cl TS48360 [0,0,0,1,0,1|2,0,0]=4 1497 B13R2.2121 COc1ccc2c(c1)sc(=O)[nH]2 TS01253 [0,0,0,1,0,1|0,1,0]=3 1498 B13R2.2121 COc1ccc2c(c1)sc(n2)Br TS08365 [0,0,0,1,0,1|1,1,0]=4 1499 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl TS55268 [0,0,0,1,0,1|1,1,0]=4 1500 B13R2.2121 COc1ccc2c(c1)sc(n2)N TS47455 [0,0,0,1,0,1|1,1,0]=4 1501 B13R2.2121 Cc1[nH]c2cc(ccc2n1)OC TS11556 [0,0,0,1,0,1|2,0,0]=4 1502 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC TS08757 [0,0,0,1,0,1|2,0,0]=4 1503 B13R2.2121 Cc1nc2cc(ccc2[se]1)OC TS24130 [0,0,0,1,0,1|2,0,0]=4 1504 B13R2.2121 Cc1nc2cc(ccc2o1)OC TS11697 [0,0,0,1,0,1|2,0,0]=4 1505 B13R2.2121 Cc1nc2cc(ccc2s1)OC TS39284 [0,0,0,1,0,1|2,0,0]=4 1506 B13R2.2121 Cc1nc2ccc(cc2s1)OC TS14444 [0,0,0,1,0,1|1,1,0]=4 1507 B13R2.2130 COc1ccc2c(c1)CCC2=O TS71585 [0,1,0,1,0,0|1,0,0]=3 1508 B13R2.2130 COc1ccc2c(c1)CNC2=O TS42562 [0,1,0,1,0,0|1,0,0]=3 1509 B13R2.2130 COc1ccc2c(c1)COC2=O TS42698 [0,1,0,1,0,0|0,0,0]=2 1510 B13R2.2130 COc1ccc2c(c1)[nH]nc2Cl TS93733 [0,1,0,1,0,0|2,0,0]=4 1511 B13R2.2130 COc1ccc2c(c1)no[n+]2[O-] TS12145 [0,1,0,1,0,0|1,0,1]=4 1512 B13R2.2130 Cc1c2ccc(cc2[nH]n1)OC TS11558 [0,1,0,1,0,0|2,0,0]=4 1513 B13R2.2130 Cc1c2ccc(cc2on1)OC TS11696 [0,1,0,1,0,0|1,0,0]=3 1514 B13R2.2130 c1cc2c(cc1C#N)COC2=O TS65156 [0,1,0,1,0,0|2,0,0]=4 1515 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O TS47158 [0,1,0,1,0,0|1,0,1]=4 1516 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O TS65769 [0,1,0,1,0,0|1,0,1]=4 1517 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 TS42186 [0,1,0,1,0,0|2,0,0]=4 1518 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 TS42442 [0,1,0,1,0,0|1,0,0]=3 1519 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 TS11822 [0,1,0,1,0,0|1,0,0]=3 1520 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O TS42280 [0,1,0,1,0,0|1,0,1]=4 1521 B13R2.430 c1cc(cc2c1cco2)C(=O)O TS11495 [0,1,0,1,0,0|1,0,1]=4 1522 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 TS19113 [0,1,0,1,0,0|2,0,0]=4 1523 B13R2.430 c1cc2c(cc1C(=O)Cl)CCO2 TS07694 [0,1,0,1,0,0|1,0,0]=3 1524 B13R2.430 c1cc2c(cc1C(=O)Cl)OCO2 TS15369 [0,1,0,1,0,0|1,0,0]=3 1525 B13R2.430 c1cc2c(cc1C(=O)Cl)non2 TS15062 [0,1,0,1,0,0|2,0,0]=4 1526 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 TS11998 [0,1,0,1,0,0|1,0,0]=3 1527 B13R2.430 c1cc2c(cc1C(=O)O)CCN2 TS42558 [0,1,0,1,0,0|1,0,0]=3 1528 B13R2.430 c1cc2c(cc1C(=O)O)CCO2 TS47159 [0,1,0,1,0,0|0,0,0]=2 1529 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 TS90031 [0,1,0,1,0,0|1,0,0]=3 1530 B13R2.430 c1cc2c(cc1C(=O)O)NCC2 TS11708 [0,1,0,1,0,0|1,0,0]=3 1531 B13R2.430 c1cc2c(cc1C(=O)O)OCC2 TS11817 [0,1,0,1,0,0|1,0,0]=3 1532 B13R2.430 c1cc2c(cc1C(=O)O)OCO2 TS12139 [0,1,0,1,0,0|0,0,0]=2 1533 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 TS94297 [0,1,0,1,0,0|1,0,1]=4 1534 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 TS71478 [0,1,0,1,0,0|1,0,1]=4 1535 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 TS01369 [0,1,0,1,0,0|0,1,1]=4 1536 B13R2.430 c1cc2c(cc1C(=O)O)nns2 TS47879 [0,1,0,1,0,0|1,1,0]=4 1537 B13R2.430 c1cc2c(cc1C(=O)O)non2 TS11799 [0,1,0,1,0,0|1,0,0]=3 1538 B13R2.430 c1cc2c(cc1C(=O)O)nsn2 TS39245 [0,1,0,1,0,0|1,1,0]=4 1539 B13R2.430 c1cc2c(cc1C(=O)O)scn2 TS00364 [0,1,0,1,0,0|1,0,1]=4 1540 B13R2.430 c1cc2c(cc1C(=S)N)CCO2 TS47769 [0,1,0,1,0,0|1,1,0]=4 1541 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 TS39219 [0,1,0,1,0,0|1,1,0]=4 1542 B13R2.430 c1cc2c(cc1N(=O)=O)OCO2 TS33189 [0,1,0,1,0,0|1,0,1]=4 1543 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS01496 [0,1,0,1,0,0|1,0,1]=4 1544 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS94745 [0,1,0,1,0,0|1,0,1]=4 1545 B13R2.430 c1cc2c(cco2)cc1C(=O)Cl TS47996 [0,1,0,1,0,0|1,0,1]=4 1546 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,1,0,1,0,0|0,0,1]=3 1547 B13R2.430 c1cc2c(ccs2)cc1C(=O)O TS00404 [0,1,0,1,0,0|0,1,1]=4 1548 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O TS00447 [0,1,0,1,0,0|2,0,0]=4 1549 B9R1.21 CCc1ccc(o1)C=O TS32598 [1,0,0,0,1,0|2,0,0]=4 1550 B9R1.21 CCc1ccc(s1)C=O TS06487 [1,0,0,0,1,0|2,0,0]=4 1551 B9R1.21 CSc1ccc([nH]1)C=O TS37496 [1,0,0,0,1,0|1,1,0]=4 1552 B9R1.21 CSc1ccc(s1)C=O TS11041 [1,0,0,0,1,0|1,1,0]=4 1553 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [1,0,0,0,1,0|2,0,0]=4 1554 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,0,0,0,1,0|1,0,0]=3 1555 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [1,0,0,0,1,0|2,0,0]=4 1556 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,0,0,0,1,0|1,0,0]=3 1557 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [1,0,0,0,1,0|2,0,0]=4 1558 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [1,0,0,0,1,0|2,0,0]=4 1559 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [1,0,0,0,1,0|2,0,0]=4 1560 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [1,0,0,0,1,0|2,0,0]=4 1561 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [1,0,0,0,1,0|2,0,0]=4 1562 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,0,0,0,1,0|1,0,0]=3 1563 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,0,0,0,1,0|1,0,0]=3 1564 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [1,0,0,0,1,0|2,0,0]=4 1565 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [1,0,0,0,1,0|2,0,0]=4 1566 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,0,0,0,1,0|1,0,0]=3 1567 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [1,0,0,0,1,0|2,0,0]=4 1568 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,0,0,0,1,0|1,0,0]=3 1569 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [1,0,0,0,1,0|2,0,0]=4 1570 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [1,0,0,0,1,0|2,0,0]=4 1571 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [1,0,0,0,1,0|2,0,0]=4 1572 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [1,0,0,0,1,0|2,0,0]=4 1573 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [1,0,0,0,1,0|2,0,0]=4 1574 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [1,0,0,0,1,0|2,0,0]=4 1575 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [1,0,0,0,1,0|2,0,0]=4 1576 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [1,0,0,0,1,0|2,0,0]=4 1577 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [1,0,0,0,1,0|2,0,0]=4 1578 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [1,0,0,0,1,0|2,0,0]=4 1579 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [1,0,0,0,1,0|2,0,0]=4 1580 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [1,0,0,0,1,0|2,0,0]=4 1581 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [1,0,0,0,1,0|2,0,0]=4 1582 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [1,0,0,0,1,0|2,0,0]=4 1583 B9R1.35 c1c(csc1C(=O)O)F TS09710 [1,0,0,0,1,0|2,0,0]=4 1584 B9R1.35 c1c(csc1C(=O)O)N TS14480 [1,0,0,0,1,0|2,0,0]=4 1585 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [1,0,0,0,1,0|2,0,0]=4 1586 B9R1.35 c1c(csc1F)C(=O)O TS87661 [1,0,0,0,1,0|2,0,0]=4 1587 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [1,0,0,0,1,0|2,0,0]=4 1588 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [1,0,0,0,1,0|2,0,0]=4 1589 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [1,0,0,0,1,0|2,0,0]=4 1590 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [1,0,0,0,1,0|2,0,0]=4 1591 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [1,0,0,0,1,0|2,0,0]=4 1592 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [1,0,0,0,1,0|2,0,0]=4 1593 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [1,0,0,0,1,0|2,0,0]=4 1594 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [1,0,0,0,0,1|2,0,0]=4 1595 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [1,0,0,0,0,1|2,0,0]=4 1596 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [1,0,0,0,0,1|2,0,0]=4 1597 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [1,0,0,0,0,1|1,0,0]=3 1598 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [1,0,0,0,0,1|1,0,1]=4 1599 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [1,0,0,0,0,1|2,0,0]=4 1600 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [1,0,0,0,0,1|2,0,0]=4 1601 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [1,0,0,0,0,1|2,0,0]=4 1602 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [1,0,0,0,0,1|2,0,0]=4 1603 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [1,0,0,0,0,1|2,0,0]=4 1604 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [1,0,0,0,0,1|1,0,0]=3 1605 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [1,0,0,0,0,1|1,1,0]=4 1606 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [1,0,0,0,0,1|2,0,0]=4 1607 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [1,0,0,0,0,1|2,0,0]=4 1608 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [1,0,0,0,0,1|2,0,0]=4 1609 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [1,0,0,0,0,1|1,0,0]=3 1610 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [1,0,0,0,0,1|1,0,0]=3 1611 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [1,0,0,0,0,1|0,0,0]=2 1612 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [1,0,0,0,0,1|1,1,0]=4 1613 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [1,0,0,0,0,1|0,1,0]=3 1614 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [1,0,0,0,0,1|2,0,0]=4 1615 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [1,0,0,0,0,1|1,0,0]=3 1616 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [1,0,0,0,0,1|1,0,0]=3 1617 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [1,0,0,0,0,1|1,1,0]=4 1618 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [1,0,0,0,0,1|1,0,0]=3 1619 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [1,0,0,0,0,1|1,0,0]=3 1620 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [1,0,0,0,0,1|1,1,0]=4 1621 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [1,0,0,0,0,1|2,0,0]=4 1622 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [1,0,0,0,0,1|2,0,0]=4 1623 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [1,0,0,0,0,1|2,0,0]=4 1624 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [1,0,0,0,0,1|2,0,0]=4 1625 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [1,0,0,0,0,1|1,0,0]=3 1626 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [1,0,0,0,0,1|1,0,0]=3 1627 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [1,0,0,0,0,1|1,0,0]=3 1628 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [1,0,0,0,0,1|1,0,0]=3 1629 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [1,0,0,0,0,1|1,0,0]=3 1630 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [1,0,0,0,0,1|1,0,0]=3 1631 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [1,0,0,0,0,1|0,0,0]=2 1632 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [1,0,0,0,0,1|0,1,0]=3 1633 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [1,0,0,0,0,1|2,0,0]=4 1634 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [1,0,0,0,0,1|2,0,0]=4 1635 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [1,0,0,0,0,1|2,0,0]=4 1636 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [1,0,0,0,0,1|2,0,0]=4 1637 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [1,0,0,0,0,1|1,1,0]=4 1638 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [1,0,0,0,0,1|2,0,0]=4 1639 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [1,0,0,0,0,1|2,0,0]=4 1640 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [1,0,0,0,0,1|2,0,0]=4 1641 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [1,0,0,0,0,1|2,0,0]=4 1642 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [1,0,0,0,0,1|2,0,0]=4 1643 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [1,0,0,0,0,1|2,0,0]=4 1644 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [1,0,0,0,0,1|1,0,1]=4 1645 B11R1.266 B(c1cc(cnc1)OC)(O)O TS55471 [0,0,0,0,1,1|1,0,1]=4 1646 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [0,0,0,0,1,1|1,0,1]=4 1647 B11R1.266 B(c1ccnc(c1)OC)(O)O TS55431 [0,0,0,0,1,1|1,0,1]=4 1648 B11R1.266 C#Cc1cccc(c1)C(=O)O TS70561 [0,0,0,0,1,1|1,0,1]=4 1649 B11R1.266 C=Cc1cccc(c1)C(=O)O TS07411 [0,0,0,0,1,1|1,0,1]=4 1650 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [0,0,0,0,1,1|1,0,0]=3 1651 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [0,0,0,0,1,1|2,0,0]=4 1652 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [0,0,0,0,1,1|1,0,1]=4 1653 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [0,0,0,0,1,1|2,0,0]=4 1654 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,0,0,0,1,1|1,0,0]=3 1655 B11R1.266 CCc1ccnc(c1)C(=O)O TS15879 [0,0,0,0,1,1|1,0,0]=3 1656 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,0,0,0,1,1|1,0,0]=3 1657 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,0,0,0,1,1|2,0,0]=4 1658 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [0,0,0,0,1,1|1,0,0]=3 1659 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [0,0,0,0,1,1|0,0,0]=2 1660 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [0,0,0,0,1,1|1,0,0]=3 1661 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [0,0,0,0,1,1|0,0,0]=2 1662 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [0,0,0,0,1,1|2,0,0]=4 1663 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [0,0,0,0,1,1|1,0,0]=3 1664 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [0,0,0,0,1,1|1,0,0]=3 1665 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,0,0,0,1,1|0,0,0]=2 1666 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [0,0,0,0,1,1|1,1,0]=4 1667 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [0,0,0,0,1,1|1,0,1]=4 1668 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [0,0,0,0,1,1|2,0,0]=4 1669 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [0,0,0,0,1,1|1,0,0]=3 1670 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [0,0,0,0,1,1|1,0,0]=3 1671 B11R1.266 COc1ccnc(c1)C(=O)O TS03161 [0,0,0,0,1,1|0,0,0]=2 1672 B11R1.266 COc1ccnc(c1)C(=O)O TS50978 [0,0,0,0,1,1|0,0,0]=2 1673 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,0,0,0,1,1|0,1,0]=3 1674 B11R1.266 CSc1nccc(n1)C(=O)O TS02455 [0,0,0,0,1,1|1,1,0]=4 1675 B11R1.266 c1c(cncc1C(=O)O)C#N TS32655 [0,0,0,0,1,1|2,0,0]=4 1676 B11R1.266 c1cc(cc(c1)C(=O)O)C#N TS01790 [0,0,0,0,1,1|2,0,0]=4 1677 B11R1.266 c1cc(cc(c1)C(=O)O)C=O TS02778 [0,0,0,0,1,1|2,0,0]=4 1678 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,0,0,0,1,1|2,0,0]=4 1679 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,0,0,0,1,1|2,0,0]=4 1680 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,0,0,0,1,1|2,0,0]=4 1681 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,0,0,0,1,1|2,0,0]=4 1682 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,0,0,0,1,1|2,0,0]=4 1683 B11R1.266 c1cc(cc(c1)NN)C(=O)O TS10146 [0,0,0,0,1,1|2,0,0]=4 1684 B11R1.266 c1cnc(cc1C(=O)O)C#N TS40597 [0,0,0,0,1,1|2,0,0]=4 1685 B11R1.266 c1cnc(cc1C(=O)O)NN TS88062 [0,0,0,0,1,1|2,0,0]=4 1686 B13R1.3 CC(=C[SiH2]c1ccc(cc1)OC)C TS17559 [0,0,0,0,0,2|2,0,0]=4 1687 B13R1.3 CC(=O)CCc1ccc(cc1)OC TS47574 [0,0,0,0,0,2|1,0,0]=3 1688 B13R1.3 CC(=O)COc1ccc(cc1)OC TS14584 [0,0,0,0,0,2|1,0,0]=3 1689 B13R1.3 CC(=O)OCc1ccc(cc1)OC TS47886 [0,0,0,0,0,2|1,0,0]=3 1690 B13R1.3 CC(COc1ccc(cc1)OC)O TS14974 [0,0,0,0,0,2|1,0,1]=4 1691 B13R1.3 CCc1ccc(cc1)OCC(=O)O TS14580 [0,0,0,0,0,2|1,0,0]=3 1692 B13R1.3 COc1ccc(cc1)C=CC(=O)Cl TS53773 [0,0,0,0,0,2|1,0,0]=3 1693 B13R1.3 COc1ccc(cc1)CCC(=O)N TS47737 [0,0,0,0,0,2|1,0,0]=3 1694 B13R1.3 COc1ccc(cc1)CNC(=S)N TS53710 [0,0,0,0,0,2|1,1,0]=4 1695 B13R1.3 COc1ccc(cc1)OCC(=O)N TS48068 [0,0,0,0,0,2|1,0,0]=3 1696 B13R1.3 COc1ccc(cc1)OCC(=O)O TS03155 [0,0,0,0,0,2|0,0,0]=2 1697 B13R1.3 COc1ccc(cc1)OCC(=S)N TS18470 [0,0,0,0,0,2|1,1,0]=4 1698 B13R1.3 c1cc(ccc1C#N)NCC(=O)O TS08596 [0,0,0,0,0,2|2,0,0]=4 1699 B13R1.3 c1cc(ccc1C=CC(=O)O)C#N TS60393 [0,0,0,0,0,2|2,0,0]=4 1700 B13R1.3 c1cc(ccc1C=CC(=O)O)C=O TS46050 [0,0,0,0,0,2|2,0,0]=4 1701 B13R1.3 c1cc(ccc1C=O)OCC(=O)O TS14543 [0,0,0,0,0,2|2,0,0]=4 1702 B13R1.3 c1cc(ccc1CBr)OCC(=O)O TS27265 [0,0,0,0,0,2|2,0,0]=4 1703 B13R1.3 c1cc(ccc1CCC(=O)O)C#N TS39289 [0,0,0,0,0,2|2,0,0]=4 1704 B13R1.3 c1cc(ccc1CCC(=O)O)C=O TS65686 [0,0,0,0,0,2|2,0,0]=4 1705 B13R1.3 c1cc(ccc1CO)C=CC(=O)O TS14183 [0,0,0,0,0,2|2,0,0]=4 1706 B13R1.3 c1cc(ccc1CO)OCC(=O)O TS60132 [0,0,0,0,0,2|2,0,0]=4