0 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 C#Cc1ccc(cc1)F TS07664 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.1 C#Cc1ccc(cc1)N TS04675 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.1 C#Cc1ccc(cc1)O TS71112 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.1 C#Cc1ccc(cn1)Br TS14869 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.1 C#Cc1ccc(cn1)F TS04857 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.1 C=Cc1ccc(cc1)F TS32505 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.1 C=Cc1ccc(cc1)N TS04791 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.1 C=Cc1ccc(cc1)O TS71308 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.1 CCc1ccc(cc1)F TS05030 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.1 CCc1ccc(cc1)I TS25158 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.1 CCc1ccc(cc1)N TS04870 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.1 CCc1ccc(cc1)O TS04905 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.1 CCc1ccc(cc1)S TS06298 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.1 CCc1ccc(nc1)C TS32477 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.1 CCc1ccc(nc1)O TS04959 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.1 CCc1cnc(nc1)Cl TS55238 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 CCc1cnc(nc1)N TS03294 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 CCc1ncc(cn1)N TS86011 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.1 CN1C=CC(=CN1)CN TS89058 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.1 CNc1ccc(cc1)F TS36055 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.1 CNc1ccc(cc1)I TS32640 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.1 CNc1ccc(cc1)N TS04921 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.1 CNc1ccc(cc1)N TS17998 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.1 CNc1ccc(cc1)O TS04963 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.1 CNc1ccc(cc1)O TS78698 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.1 CNc1ncc(cn1)Br TS08700 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.1 COc1ccc(cc1)F TS32969 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.1 COc1ccc(cc1)I TS59516 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.1 COc1ccc(cc1)N TS01634 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.1 COc1ccc(cc1)N TS11193 [0,0,0,0,0,0|1,0,0]=1 41 B9R1.1 COc1ccc(cc1)N TS93025 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.1 COc1ccc(cc1)O TS02083 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.1 COc1ccc(cc1)S TS06486 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.1 COc1ccc(cn1)Br TS09790 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.1 COc1ccc(cn1)F TS71544 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.1 COc1ccc(cn1)I TS01075 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.1 COc1ccc(cn1)N TS05017 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.1 COc1ccc(cn1)O TS71568 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.1 COc1ccc(nc1)Br TS08354 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.1 COc1ccc(nc1)N TS47440 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.1 COc1ccc(nn1)Cl TS02707 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.1 COc1ccc(nn1)N TS65871 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.1 COc1ccn(=O)cc1 TS71219 [0,0,0,0,0,0|2,0,0]=2 57 B9R1.1 COc1cnc(cn1)Br TS08353 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.1 COc1cnc(cn1)Cl TS40268 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.1 COc1cnc(cn1)N TS47439 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.1 COc1cnc(nc1)Br TS88266 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.1 COc1cnc(nc1)Cl TS00911 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.1 COc1cnc(nc1)N TS90642 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.1 COc1ncc(cn1)Br TS09791 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.1 COc1ncc(cn1)N TS55434 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,0,0,0,0,0|1,1,0]=2 66 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,0,0,0,0,0|1,1,0]=2 67 B9R1.1 CSc1ccc(cc1)F TS06687 [0,0,0,0,0,0|1,1,0]=2 68 B9R1.1 CSc1ccc(cc1)I TS27986 [0,0,0,0,0,0|1,1,0]=2 69 B9R1.1 CSc1ccc(cc1)N TS06394 [0,0,0,0,0,0|1,1,0]=2 70 B9R1.1 CSc1ccc(cc1)O TS37396 [0,0,0,0,0,0|1,1,0]=2 71 B9R1.1 CSc1ccc(cc1)S TS41710 [0,0,0,0,0,0|1,1,0]=2 72 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,0,0,0,0,0|1,1,0]=2 73 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,0,0,0,0,0|2,1,0]=3 74 B9R1.1 CSc1ccc(nc1)N TS37399 [0,0,0,0,0,0|2,1,0]=3 75 B9R1.1 CSc1ncc(cn1)Br TS38756 [0,0,0,0,0,0|3,1,0]=4 76 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,0,0,0,0,0|1,0,1]=2 78 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,0,0,0,0,0|1,0,1]=2 80 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,0,0,0,0,0|1,0,0]=1 87 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,0,0,0,0,0|2,0,0]=2 88 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,0,0,0,0,0|2,0,0]=2 89 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,0,0,0,0,0|0,0,0]=0 90 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,0,0,0,0,0|0,1,0]=1 91 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,0,0,0,0,0|2,0,1]=3 95 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,0,0,0,0,0|1,0,0]=1 100 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.1 Cc1ccc(nn1)C#N TS88312 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.1 Cc1ccc(nn1)CN TS87880 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.1 Cc1cnc(cn1)C#N TS01162 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.1 Cc1cnc(cn1)C=C TS04818 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.1 Cc1cnc(cn1)C=O TS88939 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.1 Cc1cnc(cn1)CCl TS85706 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.1 Cc1cnc(cn1)CN TS08244 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.1 Cc1cnc(nc1)C#N TS90958 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.1 Cc1cnc(nc1)C=O TS90871 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.1 Cc1cnc(nc1)CCl TS87948 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.1 Cc1cnc(nc1)CCl TS90870 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.1 Cc1cnc(nc1)CN TS88592 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.1 Cc1cnc(nc1)CO TS88936 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.1 Cc1ncc(cn1)C#N TS88469 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.1 Cc1ncc(cn1)C=O TS08763 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.1 Cc1ncc(cn1)CCl TS88571 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.1 Cc1ncc(cn1)CN TS86706 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.1 Cc1ncc(cn1)CO TS55462 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [0,0,0,0,0,0|2,0,1]=3 122 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [0,0,0,0,0,0|2,0,1]=3 123 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [0,0,0,0,0,0|2,0,1]=3 124 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.1 c1cc(ccc1C#N)Br TS09595 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.1 c1cc(ccc1C#N)F TS93132 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.1 c1cc(ccc1C#N)I TS09717 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.1 c1cc(ccc1C#N)N TS70912 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.1 c1cc(ccc1C#N)O TS03063 [0,0,0,0,0,0|3,0,0]=3 132 B9R1.1 c1cc(ccc1C#N)S TS03071 [0,0,0,0,0,0|3,0,0]=3 133 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [0,0,0,0,0,0|3,0,0]=3 134 B9R1.1 c1cc(ccc1C=O)Br TS09589 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [0,0,0,0,0,0|3,0,0]=3 136 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [0,0,0,0,0,0|3,0,0]=3 137 B9R1.1 c1cc(ccc1C=O)F TS03079 [0,0,0,0,0,0|3,0,0]=3 138 B9R1.1 c1cc(ccc1C=O)I TS71194 [0,0,0,0,0,0|3,0,0]=3 139 B9R1.1 c1cc(ccc1C=O)N TS08868 [0,0,0,0,0,0|3,0,0]=3 140 B9R1.1 c1cc(ccc1C=O)O TS01630 [0,0,0,0,0,0|3,0,0]=3 141 B9R1.1 c1cc(ccc1C=O)O TS42180 [0,0,0,0,0,0|3,0,0]=3 142 B9R1.1 c1cc(ccc1CBr)Br TS09598 [0,0,0,0,0,0|3,0,0]=3 143 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [0,0,0,0,0,0|3,0,0]=3 144 B9R1.1 c1cc(ccc1CBr)F TS03088 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.1 c1cc(ccc1CBr)I TS09718 [0,0,0,0,0,0|3,0,0]=3 146 B9R1.1 c1cc(ccc1CBr)O TS16899 [0,0,0,0,0,0|3,0,0]=3 147 B9R1.1 c1cc(ccc1CCl)Br TS16774 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [0,0,0,0,0,0|3,0,0]=3 149 B9R1.1 c1cc(ccc1CCl)F TS07044 [0,0,0,0,0,0|3,0,0]=3 150 B9R1.1 c1cc(ccc1CN)Br TS09597 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.1 c1cc(ccc1CN)Br TS60052 [0,0,0,0,0,0|3,0,0]=3 152 B9R1.1 c1cc(ccc1CN)Cl TS33154 [0,0,0,0,0,0|3,0,0]=3 153 B9R1.1 c1cc(ccc1CN)Cl TS71062 [0,0,0,0,0,0|3,0,0]=3 154 B9R1.1 c1cc(ccc1CN)F TS03087 [0,0,0,0,0,0|3,0,0]=3 155 B9R1.1 c1cc(ccc1CN)F TS42359 [0,0,0,0,0,0|3,0,0]=3 156 B9R1.1 c1cc(ccc1CN)I TS07803 [0,0,0,0,0,0|3,0,0]=3 157 B9R1.1 c1cc(ccc1CN)I TS73917 [0,0,0,0,0,0|3,0,0]=3 158 B9R1.1 c1cc(ccc1CN)N TS32510 [0,0,0,0,0,0|3,0,0]=3 159 B9R1.1 c1cc(ccc1CN)O TS38524 [0,0,0,0,0,0|3,0,0]=3 160 B9R1.1 c1cc(ccc1CN)O TS71170 [0,0,0,0,0,0|3,0,0]=3 161 B9R1.1 c1cc(ccc1CO)Br TS16773 [0,0,0,0,0,0|3,0,0]=3 162 B9R1.1 c1cc(ccc1CO)Cl TS37684 [0,0,0,0,0,0|3,0,0]=3 163 B9R1.1 c1cc(ccc1CO)F TS36109 [0,0,0,0,0,0|3,0,0]=3 164 B9R1.1 c1cc(ccc1CO)I TS02234 [0,0,0,0,0,0|3,0,0]=3 165 B9R1.1 c1cc(ccc1CO)N TS70914 [0,0,0,0,0,0|3,0,0]=3 166 B9R1.1 c1cc(ccc1CO)O TS46479 [0,0,0,0,0,0|3,0,0]=3 167 B9R1.1 c1cc(ccc1CO)S TS37388 [0,0,0,0,0,0|3,0,0]=3 168 B9R1.1 c1cc(ccc1CS)Br TS19522 [0,0,0,0,0,0|3,0,0]=3 169 B9R1.1 c1cc(ccc1CS)Cl TS42005 [0,0,0,0,0,0|3,0,0]=3 170 B9R1.1 c1cc(ccc1CS)F TS06684 [0,0,0,0,0,0|3,0,0]=3 171 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [0,0,0,0,0,0|3,0,0]=3 172 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [0,0,0,0,0,0|3,0,0]=3 173 B9R1.1 c1cc(ccc1N=O)O TS32551 [0,0,0,0,0,0|3,0,0]=3 174 B9R1.1 c1cc(ccc1NN)Br TS50374 [0,0,0,0,0,0|3,0,0]=3 175 B9R1.1 c1cc(ccc1NN)Cl TS06801 [0,0,0,0,0,0|3,0,0]=3 176 B9R1.1 c1cc(ccc1NN)Cl TS67272 [0,0,0,0,0,0|3,0,0]=3 177 B9R1.1 c1cc(ccc1NN)I TS53552 [0,0,0,0,0,0|3,0,0]=3 178 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [0,0,0,0,0,0|3,0,0]=3 179 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [0,0,0,0,0,0|3,0,0]=3 180 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [0,0,0,0,0,0|3,0,0]=3 181 B9R1.1 c1cc(ncc1Br)C#N TS71416 [0,0,0,0,0,0|4,0,0]=4 182 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,0,0,0,0,0|4,0,0]=4 183 B9R1.1 c1cc(ncc1Br)CO TS71442 [0,0,0,0,0,0|4,0,0]=4 184 B9R1.1 c1cc(ncc1Br)NN TS71429 [0,0,0,0,0,0|4,0,0]=4 185 B9R1.1 c1cc(ncc1C#N)Br TS55125 [0,0,0,0,0,0|4,0,0]=4 186 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [0,0,0,0,0,0|4,0,0]=4 187 B9R1.1 c1cc(ncc1C#N)F TS04893 [0,0,0,0,0,0|4,0,0]=4 188 B9R1.1 c1cc(ncc1C#N)O TS39788 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,0,0,0,0,0|4,0,0]=4 190 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,0,0,0,0,0|4,0,0]=4 191 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,0,0,0,0,0|4,0,0]=4 192 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,0,0,0,0,0|4,0,0]=4 193 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [0,0,0,0,0,0|4,0,0]=4 195 B9R1.1 c1cc(ncc1CBr)F TS90058 [0,0,0,0,0,0|4,0,0]=4 196 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.1 c1cc(ncc1CCl)F TS86320 [0,0,0,0,0,0|4,0,0]=4 198 B9R1.1 c1cc(ncc1CN)Cl TS71379 [0,0,0,0,0,0|4,0,0]=4 199 B9R1.1 c1cc(ncc1CN)F TS87785 [0,0,0,0,0,0|4,0,0]=4 200 B9R1.1 c1cc(ncc1CO)Br TS22929 [0,0,0,0,0,0|4,0,0]=4 201 B9R1.1 c1cc(ncc1CO)Cl TS55248 [0,0,0,0,0,0|4,0,0]=4 202 B9R1.1 c1cc(ncc1CO)F TS85126 [0,0,0,0,0,0|4,0,0]=4 203 B9R1.1 c1cc(ncc1CO)N TS46564 [0,0,0,0,0,0|4,0,0]=4 204 B9R1.1 c1cc(ncc1Cl)C#N TS09833 [0,0,0,0,0,0|4,0,0]=4 205 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,0,0,0,0,0|4,0,0]=4 206 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [0,0,0,0,0,0|4,0,0]=4 207 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,0,0,0,0,0|4,0,0]=4 208 B9R1.1 c1cc(ncc1F)CO TS88541 [0,0,0,0,0,0|4,0,0]=4 209 B9R1.1 c1cc(ncc1N)C#N TS65869 [0,0,0,0,0,0|4,0,0]=4 210 B9R1.1 c1cc(ncc1N)CN TS32573 [0,0,0,0,0,0|4,0,0]=4 211 B9R1.1 c1cc(ncc1O)C#N TS55294 [0,0,0,0,0,0|4,0,0]=4 212 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,0,0,0,0,0|4,0,0]=4 213 B9R1.1 c1cn(=O)ccc1C#N TS32414 [0,0,0,0,0,0|4,0,0]=4 214 B9R1.1 c1cn(=O)ccc1C=O TS32549 [0,0,0,0,0,0|4,0,0]=4 215 B9R1.1 c1cn(=O)ccc1CO TS59701 [0,0,0,0,0,0|4,0,0]=4 216 B8R1.2 C#Cc1ccccc1 TS39865 [1,0,0,0,0,0|1,0,1]=3 217 B8R1.2 C#Cc1ccccn1 TS55319 [1,0,0,0,0,0|2,0,1]=4 218 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|2,0,1]=4 219 B8R1.2 C#Cc1ccncc1 TS71113 [1,0,0,0,0,0|2,0,1]=4 220 B8R1.2 C#Cc1ccncc1 TS90305 [1,0,0,0,0,0|2,0,1]=4 221 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,0|1,0,1]=3 222 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|2,0,1]=4 223 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|2,0,1]=4 224 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.2 CCC1=CCC=CC1 TS04142 [1,0,0,0,0,0|1,0,2]=4 226 B8R1.2 CC[n+]1ccccc1 TS40125 [1,0,0,0,0,0|2,0,0]=3 227 B8R1.2 CC[n+]1ccccc1 TS50650 [1,0,0,0,0,0|2,0,0]=3 228 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|1,0,0]=2 229 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,0|2,0,0]=3 230 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|2,0,0]=3 231 B8R1.2 CCc1ccncc1 TS04110 [1,0,0,0,0,0|2,0,0]=3 232 B8R1.2 CCc1cnccn1 TS31774 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|1,0,0]=2 234 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|1,0,0]=2 235 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,0|2,0,0]=3 236 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|2,0,0]=3 237 B8R1.2 CNc1ccncc1 TS16891 [1,0,0,0,0,0|2,0,0]=3 238 B8R1.2 CNc1cnccn1 TS31803 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.2 CNc1ncccn1 TS31802 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|0,0,0]=1 241 B8R1.2 COc1cccnn1 TS02827 [1,0,0,0,0,0|2,0,0]=3 242 B8R1.2 COc1ccncc1 TS03163 [1,0,0,0,0,0|1,0,0]=2 243 B8R1.2 COc1ccncn1 TS31815 [1,0,0,0,0,0|2,0,0]=3 244 B8R1.2 COc1cnccn1 TS55429 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.2 COc1ncccn1 TS31823 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|1,0,0]=2 247 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|0,1,0]=2 248 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,0|1,1,0]=3 249 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|1,1,0]=3 250 B8R1.2 CSc1cnccn1 TS55418 [1,0,0,0,0,0|2,1,0]=4 251 B8R1.2 CSc1ncccn1 TS36144 [1,0,0,0,0,0|2,1,0]=4 252 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|1,0,0]=2 253 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|1,0,0]=2 254 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,0,0,0,0,0|1,0,1]=3 255 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.2 c1ccc(cc1)C#N TS01882 [1,0,0,0,0,0|2,0,0]=3 266 B8R1.2 c1ccc(cc1)C#N TS80489 [1,0,0,0,0,0|2,0,0]=3 267 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,0|2,0,0]=3 268 B8R1.2 c1ccc(cc1)CCl TS36191 [1,0,0,0,0,0|2,0,0]=3 269 B8R1.2 c1ccc(cc1)CF TS31826 [1,0,0,0,0,0|2,0,0]=3 270 B8R1.2 c1ccc(cc1)CI TS09176 [1,0,0,0,0,0|2,0,0]=3 271 B8R1.2 c1ccc(cc1)CN TS01379 [1,0,0,0,0,0|2,0,0]=3 272 B8R1.2 c1ccc(cc1)CN TS40124 [1,0,0,0,0,0|2,0,0]=3 273 B8R1.2 c1ccc(cc1)CO TS31769 [1,0,0,0,0,0|2,0,0]=3 274 B8R1.2 c1ccc(cc1)CS TS36023 [1,0,0,0,0,0|2,0,0]=3 275 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,0|2,0,0]=3 276 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,0|2,0,0]=3 277 B8R1.2 c1ccc(cc1)NN TS07047 [1,0,0,0,0,0|2,0,0]=3 278 B8R1.2 c1ccc(cc1)NN TS31771 [1,0,0,0,0,0|2,0,0]=3 279 B8R1.2 c1ccc(cc1)NN TS61145 [1,0,0,0,0,0|2,0,0]=3 280 B8R1.2 c1ccc(cc1)NN TS76102 [1,0,0,0,0,0|2,0,0]=3 281 B8R1.2 c1ccc(cc1)NO TS31793 [1,0,0,0,0,0|2,0,0]=3 282 B8R1.2 c1ccc(cc1)NO TS37696 [1,0,0,0,0,0|2,0,0]=3 283 B8R1.2 c1ccc(cc1)ON TS07146 [1,0,0,0,0,0|1,0,0]=2 284 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,0,0,0,0,0|2,0,0]=3 285 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,0,0,0,0,0|2,0,0]=3 286 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,0,0,0,0,0|2,0,0]=3 287 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,0,0,0,0,0|2,0,0]=3 288 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,0,0,0,0,0|2,0,0]=3 289 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,0,0,0,0,0|2,0,0]=3 290 B8R1.2 c1ccnc(c1)C#N TS59347 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.2 c1ccnc(c1)CBr TS47083 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.2 c1ccnc(c1)CCl TS47089 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.2 c1ccnc(c1)CCl TS47090 [1,0,0,0,0,0|3,0,0]=4 295 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|3,0,0]=4 296 B8R1.2 c1ccnc(c1)CO TS07144 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.2 c1ccnc(c1)CO TS31798 [1,0,0,0,0,0|3,0,0]=4 298 B8R1.2 c1ccnc(c1)CS TS05100 [1,0,0,0,0,0|3,0,0]=4 299 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|3,0,0]=4 300 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|3,0,0]=4 301 B8R1.2 c1cnccc1C#N TS03069 [1,0,0,0,0,0|3,0,0]=4 302 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,0|3,0,0]=4 303 B8R1.2 c1cnccc1CBr TS39318 [1,0,0,0,0,0|3,0,0]=4 304 B8R1.2 c1cnccc1CCl TS16903 [1,0,0,0,0,0|3,0,0]=4 305 B8R1.2 c1cnccc1CN TS31773 [1,0,0,0,0,0|3,0,0]=4 306 B8R1.2 c1cnccc1CO TS07149 [1,0,0,0,0,0|3,0,0]=4 307 B8R1.2 c1cnccc1CO TS71297 [1,0,0,0,0,0|3,0,0]=4 308 B8R1.2 c1cnccc1NN TS89841 [1,0,0,0,0,0|3,0,0]=4 309 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [1,0,0,0,0,0|1,0,1]=3 310 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [1,0,0,0,0,0|1,0,1]=3 311 B8R1.3 Cc1cc[n+](cc1)C TS25680 [1,0,0,0,0,0|1,0,0]=2 312 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [1,0,0,0,0,0|1,0,1]=3 313 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [1,0,0,0,0,0|2,0,1]=4 314 B8R1.3 Cc1ccc(cc1)Br TS09620 [1,0,0,0,0,0|1,0,0]=2 315 B8R1.3 Cc1ccc(cc1)C TS04096 [1,0,0,0,0,0|0,0,0]=1 316 B8R1.3 Cc1ccc(cc1)C TS77016 [1,0,0,0,0,0|0,0,0]=1 317 B8R1.3 Cc1ccc(cc1)Cl TS39593 [1,0,0,0,0,0|1,0,0]=2 318 B8R1.3 Cc1ccc(cc1)F TS31829 [1,0,0,0,0,0|1,0,0]=2 319 B8R1.3 Cc1ccc(cc1)I TS07804 [1,0,0,0,0,0|1,0,0]=2 320 B8R1.3 Cc1ccc(cc1)I TS67797 [1,0,0,0,0,0|1,0,0]=2 321 B8R1.3 Cc1ccc(cc1)N TS04112 [1,0,0,0,0,0|1,0,0]=2 322 B8R1.3 Cc1ccc(cc1)N TS40127 [1,0,0,0,0,0|1,0,0]=2 323 B8R1.3 Cc1ccc(cc1)O TS05157 [1,0,0,0,0,0|0,0,0]=1 324 B8R1.3 Cc1ccc(cc1)O TS94395 [1,0,0,0,0,0|0,0,0]=1 325 B8R1.3 Cc1ccc(cc1)P TS32593 [1,0,0,0,0,0|1,0,0]=2 326 B8R1.3 Cc1ccc(cc1)S TS39763 [1,0,0,0,0,0|0,1,0]=2 327 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [1,0,0,0,0,0|0,1,0]=2 328 B8R1.3 Cc1ccc(cn1)Br TS09799 [1,0,0,0,0,0|2,0,0]=3 329 B8R1.3 Cc1ccc(cn1)Cl TS71507 [1,0,0,0,0,0|2,0,0]=3 330 B8R1.3 Cc1ccc(cn1)F TS03302 [1,0,0,0,0,0|2,0,0]=3 331 B8R1.3 Cc1ccc(cn1)I TS71574 [1,0,0,0,0,0|2,0,0]=3 332 B8R1.3 Cc1ccc(cn1)N TS65872 [1,0,0,0,0,0|2,0,0]=3 333 B8R1.3 Cc1ccc(cn1)O TS71569 [1,0,0,0,0,0|1,0,0]=2 334 B8R1.3 Cc1ccc(nc1)Br TS55127 [1,0,0,0,0,0|2,0,0]=3 335 B8R1.3 Cc1ccc(nc1)C TS47280 [1,0,0,0,0,0|1,0,0]=2 336 B8R1.3 Cc1ccc(nc1)Cl TS00914 [1,0,0,0,0,0|2,0,0]=3 337 B8R1.3 Cc1ccc(nc1)F TS01010 [1,0,0,0,0,0|2,0,0]=3 338 B8R1.3 Cc1ccc(nc1)N TS07049 [1,0,0,0,0,0|2,0,0]=3 339 B8R1.3 Cc1ccc(nc1)N TS47444 [1,0,0,0,0,0|2,0,0]=3 340 B8R1.3 Cc1ccc(nc1)O TS01053 [1,0,0,0,0,0|1,0,0]=2 341 B8R1.3 Cc1ccc(nc1)S TS05105 [1,0,0,0,0,0|1,1,0]=3 342 B8R1.3 Cc1ccc(nn1)Br TS89616 [1,0,0,0,0,0|3,0,0]=4 343 B8R1.3 Cc1ccc(nn1)C TS94711 [1,0,0,0,0,0|2,0,0]=3 344 B8R1.3 Cc1ccc(nn1)Cl TS02708 [1,0,0,0,0,0|3,0,0]=4 345 B8R1.3 Cc1ccc(nn1)I TS85912 [1,0,0,0,0,0|3,0,0]=4 346 B8R1.3 Cc1ccc(nn1)N TS91497 [1,0,0,0,0,0|3,0,0]=4 347 B8R1.3 Cc1ccn(=O)cc1 TS09774 [1,0,0,0,0,0|1,0,1]=3 348 B8R1.3 Cc1cnc(cn1)Br TS89981 [1,0,0,0,0,0|3,0,0]=4 349 B8R1.3 Cc1cnc(cn1)C TS47279 [1,0,0,0,0,0|2,0,0]=3 350 B8R1.3 Cc1cnc(cn1)N TS47443 [1,0,0,0,0,0|3,0,0]=4 351 B8R1.3 Cc1cnc(nc1)Cl TS00915 [1,0,0,0,0,0|3,0,0]=4 352 B8R1.3 Cc1cnc(nc1)N TS47445 [1,0,0,0,0,0|3,0,0]=4 353 B8R1.3 Cc1ncc(cn1)Br TS87704 [1,0,0,0,0,0|3,0,0]=4 354 B8R1.3 Cc1ncc(cn1)N TS03220 [1,0,0,0,0,0|3,0,0]=4 355 B8R1.3 Cc1ncc(cn1)O TS02449 [1,0,0,0,0,0|2,0,0]=3 356 B8R1.3 c1c(cnc(n1)Br)O TS90862 [1,0,0,0,0,0|3,0,0]=4 357 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [1,0,0,0,0,0|3,0,0]=4 358 B8R1.3 c1c(cnc(n1)N)O TS00791 [1,0,0,0,0,0|3,0,0]=4 359 B8R1.3 c1c(cnc(n1)O)Br TS09782 [1,0,0,0,0,0|3,0,0]=4 360 B8R1.3 c1c(cnc(n1)O)Br TS94911 [1,0,0,0,0,0|3,0,0]=4 361 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [1,0,0,0,0,0|3,0,0]=4 362 B8R1.3 c1c(ncc(n1)Br)O TS08345 [1,0,0,0,0,0|3,0,0]=4 363 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [1,0,0,0,0,0|3,0,0]=4 364 B8R1.3 c1c[n+](ccc1F)[O-] TS87895 [1,0,0,0,0,0|2,0,1]=4 365 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [1,0,0,0,0,0|2,0,0]=3 366 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [1,0,0,0,0,0|2,1,0]=4 367 B8R1.3 c1cc(ccc1Br)Br TS07885 [1,0,0,0,0,0|2,0,0]=3 368 B8R1.3 c1cc(ccc1Br)I TS00413 [1,0,0,0,0,0|2,0,0]=3 369 B8R1.3 c1cc(ccc1Cl)Br TS09601 [1,0,0,0,0,0|2,0,0]=3 370 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [1,0,0,0,0,0|2,0,0]=3 371 B8R1.3 c1cc(ccc1Cl)I TS64993 [1,0,0,0,0,0|2,0,0]=3 372 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [1,0,0,0,0,0|2,0,0]=3 373 B8R1.3 c1cc(ccc1F)Br TS09602 [1,0,0,0,0,0|2,0,0]=3 374 B8R1.3 c1cc(ccc1F)Cl TS09203 [1,0,0,0,0,0|2,0,0]=3 375 B8R1.3 c1cc(ccc1F)F TS59891 [1,0,0,0,0,0|2,0,0]=3 376 B8R1.3 c1cc(ccc1F)I TS39508 [1,0,0,0,0,0|2,0,0]=3 377 B8R1.3 c1cc(ccc1F)S TS05333 [1,0,0,0,0,0|1,1,0]=3 378 B8R1.3 c1cc(ccc1F)S TS12288 [1,0,0,0,0,0|1,1,0]=3 379 B8R1.3 c1cc(ccc1I)I TS46809 [1,0,0,0,0,0|2,0,0]=3 380 B8R1.3 c1cc(ccc1N)Br TS70992 [1,0,0,0,0,0|2,0,0]=3 381 B8R1.3 c1cc(ccc1N)Cl TS42659 [1,0,0,0,0,0|2,0,0]=3 382 B8R1.3 c1cc(ccc1N)Cl TS71059 [1,0,0,0,0,0|2,0,0]=3 383 B8R1.3 c1cc(ccc1N)F TS71137 [1,0,0,0,0,0|2,0,0]=3 384 B8R1.3 c1cc(ccc1N)I TS71193 [1,0,0,0,0,0|2,0,0]=3 385 B8R1.3 c1cc(ccc1N)N TS38978 [1,0,0,0,0,0|2,0,0]=3 386 B8R1.3 c1cc(ccc1N)O TS07145 [1,0,0,0,0,0|1,0,0]=2 387 B8R1.3 c1cc(ccc1N)O TS59709 [1,0,0,0,0,0|1,0,0]=2 388 B8R1.3 c1cc(ccc1N)S TS39734 [1,0,0,0,0,0|1,1,0]=3 389 B8R1.3 c1cc(ccc1O)Cl TS36377 [1,0,0,0,0,0|1,0,0]=2 390 B8R1.3 c1cc(ccc1O)Cl TS40947 [1,0,0,0,0,0|1,0,0]=2 391 B8R1.3 c1cc(ccc1O)F TS33165 [1,0,0,0,0,0|1,0,0]=2 392 B8R1.3 c1cc(ccc1O)I TS59518 [1,0,0,0,0,0|1,0,0]=2 393 B8R1.3 c1cc(ccc1O)O TS01676 [1,0,0,0,0,0|1,0,0]=2 394 B8R1.3 c1cc(ccc1O)O TS02292 [1,0,0,0,0,0|1,0,0]=2 395 B8R1.3 c1cc(ccc1O)O TS24537 [1,0,0,0,0,0|1,0,0]=2 396 B8R1.3 c1cc(ccc1O)S TS36138 [1,0,0,0,0,0|1,0,0]=2 397 B8R1.3 c1cc(ccc1S)Br TS39741 [1,0,0,0,0,0|1,1,0]=3 398 B8R1.3 c1cc(ccc1S)Cl TS07052 [1,0,0,0,0,0|1,1,0]=3 399 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [1,0,0,0,0,0|2,0,0]=3 400 B8R1.3 c1cc(ncc1Br)Br TS25985 [1,0,0,0,0,0|3,0,0]=4 401 B8R1.3 c1cc(ncc1Br)Cl TS71413 [1,0,0,0,0,0|3,0,0]=4 402 B8R1.3 c1cc(ncc1Br)F TS71426 [1,0,0,0,0,0|3,0,0]=4 403 B8R1.3 c1cc(ncc1Br)I TS09786 [1,0,0,0,0,0|3,0,0]=4 404 B8R1.3 c1cc(ncc1Br)N TS47431 [1,0,0,0,0,0|3,0,0]=4 405 B8R1.3 c1cc(ncc1Br)N TS90623 [1,0,0,0,0,0|3,0,0]=4 406 B8R1.3 c1cc(ncc1Br)O TS09781 [1,0,0,0,0,0|2,0,0]=3 407 B8R1.3 c1cc(ncc1Cl)Br TS55123 [1,0,0,0,0,0|3,0,0]=4 408 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [1,0,0,0,0,0|3,0,0]=4 409 B8R1.3 c1cc(ncc1Cl)F TS71487 [1,0,0,0,0,0|3,0,0]=4 410 B8R1.3 c1cc(ncc1Cl)I TS71498 [1,0,0,0,0,0|3,0,0]=4 411 B8R1.3 c1cc(ncc1Cl)N TS00778 [1,0,0,0,0,0|3,0,0]=4 412 B8R1.3 c1cc(ncc1Cl)O TS71496 [1,0,0,0,0,0|2,0,0]=3 413 B8R1.3 c1cc(ncc1F)Br TS08342 [1,0,0,0,0,0|3,0,0]=4 414 B8R1.3 c1cc(ncc1F)Cl TS85452 [1,0,0,0,0,0|3,0,0]=4 415 B8R1.3 c1cc(ncc1F)F TS47260 [1,0,0,0,0,0|3,0,0]=4 416 B8R1.3 c1cc(ncc1F)I TS50245 [1,0,0,0,0,0|3,0,0]=4 417 B8R1.3 c1cc(ncc1F)N TS00788 [1,0,0,0,0,0|3,0,0]=4 418 B8R1.3 c1cc(ncc1F)N TS85448 [1,0,0,0,0,0|3,0,0]=4 419 B8R1.3 c1cc(ncc1F)O TS71538 [1,0,0,0,0,0|2,0,0]=3 420 B8R1.3 c1cc(ncc1I)Br TS08347 [1,0,0,0,0,0|3,0,0]=4 421 B8R1.3 c1cc(ncc1I)Cl TS55251 [1,0,0,0,0,0|3,0,0]=4 422 B8R1.3 c1cc(ncc1I)F TS85441 [1,0,0,0,0,0|3,0,0]=4 423 B8R1.3 c1cc(ncc1I)I TS59927 [1,0,0,0,0,0|3,0,0]=4 424 B8R1.3 c1cc(ncc1I)N TS47435 [1,0,0,0,0,0|3,0,0]=4 425 B8R1.3 c1cc(ncc1I)O TS60294 [1,0,0,0,0,0|2,0,0]=3 426 B8R1.3 c1cc(ncc1N)Br TS65865 [1,0,0,0,0,0|3,0,0]=4 427 B8R1.3 c1cc(ncc1N)Cl TS71356 [1,0,0,0,0,0|3,0,0]=4 428 B8R1.3 c1cc(ncc1N)F TS01234 [1,0,0,0,0,0|3,0,0]=4 429 B8R1.3 c1cc(ncc1N)I TS71363 [1,0,0,0,0,0|3,0,0]=4 430 B8R1.3 c1cc(ncc1N)N TS47239 [1,0,0,0,0,0|3,0,0]=4 431 B8R1.3 c1cc(ncc1N)N TS47240 [1,0,0,0,0,0|3,0,0]=4 432 B8R1.3 c1cc(ncc1N)O TS07283 [1,0,0,0,0,0|2,0,0]=3 433 B8R1.3 c1cc(ncc1N)O TS71362 [1,0,0,0,0,0|2,0,0]=3 434 B8R1.3 c1cc(ncc1O)Br TS08346 [1,0,0,0,0,0|2,0,0]=3 435 B8R1.3 c1cc(ncc1O)Cl TS55249 [1,0,0,0,0,0|2,0,0]=3 436 B8R1.3 c1cc(ncc1O)F TS01000 [1,0,0,0,0,0|2,0,0]=3 437 B8R1.3 c1cc(ncc1O)I TS23214 [1,0,0,0,0,0|2,0,0]=3 438 B8R1.3 c1cc(ncc1O)N TS00790 [1,0,0,0,0,0|2,0,0]=3 439 B8R1.3 c1cc(ncc1O)O TS47263 [1,0,0,0,0,0|2,0,0]=3 440 B8R1.3 c1cc(nnc1O)Cl TS36566 [1,0,0,0,0,0|3,0,0]=4 441 B8R1.3 c1cc(nnc1O)O TS93162 [1,0,0,0,0,0|3,0,0]=4 442 B8R1.3 c1cn(=O)ccc1Cl TS05502 [1,0,0,0,0,0|2,0,1]=4 443 B10R1.1 C=CCc1ccc(cc1)O TS36845 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,1,0,0,0,0|1,0,0]=2 446 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,1,0,0,0,0|2,0,0]=3 448 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,1,0,0,0,0|1,0,0]=2 452 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [0,1,0,0,0,0|2,0,0]=3 453 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,1,0,0,0,0|1,0,0]=2 454 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,1,0,0,0,0|0,0,0]=1 455 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,1,0,0,0,0|1,0,0]=2 456 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,1,0,0,0,0|1,0,0]=2 457 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,1,0,0,0,0|1,0,0]=2 458 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,1,0,0,0,0|1,0,0]=2 459 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,1,0,0,0,0|1,0,0]=2 460 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,1,0,0,0,0|1,0,0]=2 461 B10R1.1 CCOc1ccc(cn1)Br TS71417 [0,1,0,0,0,0|2,0,0]=3 462 B10R1.1 CCOc1ccc(cn1)N TS37183 [0,1,0,0,0,0|2,0,0]=3 463 B10R1.1 CCOc1ccc(nc1)Br TS19313 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [0,1,0,0,0,0|2,0,0]=3 465 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [0,1,0,0,0,0|2,0,0]=3 466 B10R1.1 CCOc1cnc(cn1)C TS06278 [0,1,0,0,0,0|2,0,0]=3 467 B10R1.1 CCOc1cnc(nc1)Br TS90943 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.1 CCOc1cnc(nc1)Cl TS87445 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.1 CCOc1ncc(cn1)Br TS38377 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.1 CCOc1ncc(cn1)F TS37552 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,1,0,0,0,0|1,1,0]=3 472 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,1,0,0,0,0|1,1,0]=3 473 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.1 COCc1ccc(cc1)F TS37375 [0,1,0,0,0,0|1,0,0]=2 475 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,1,0,0,0,0|1,1,0]=3 476 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [0,1,0,0,0,0|1,0,1]=3 478 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,1,0,0,0,0|1,0,1]=3 479 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,1,0,0,0,0|1,0,1]=3 480 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,1,0,0,0,0|1,0,0]=2 481 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,1,0,0,0,0|1,0,0]=2 482 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,1,0,0,0,0|1,0,0]=2 483 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,1,0,0,0,0|1,0,0]=2 484 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,1,0,0,0,0|1,0,1]=3 485 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [0,1,0,0,0,0|1,0,1]=3 486 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,1,0,0,0,0|1,0,1]=3 487 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,1,0,0,0,0|0,1,0]=2 488 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [0,1,0,0,0,0|2,0,1]=4 490 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [0,1,0,0,0,0|2,0,1]=4 491 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.1 c1cc(ccc1C=NO)F TS37276 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.1 c1cc(ccc1CC#N)F TS09126 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.1 c1cc(ccc1CC#N)I TS09719 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.1 c1cc(ccc1CC#N)N TS05748 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.1 c1cc(ccc1CC#N)N TS12627 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.1 c1cc(ccc1CC#N)O TS59576 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,1,0,0,0,0|2,0,1]=4 502 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,1,0,0,0,0|2,0,1]=4 503 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,1,0,0,0,0|2,0,1]=4 504 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,1,0,0,0,0|2,0,1]=4 506 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,1,0,0,0,0|2,0,0]=3 507 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,1,0,0,0,0|2,0,0]=3 508 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,1,0,0,0,0|2,0,0]=3 511 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,1,0,0,0,0|2,0,0]=3 515 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,1,0,0,0,0|2,0,0]=3 516 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,1,0,0,0,0|2,0,0]=3 520 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,1,0,0,0,0|2,0,0]=3 521 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,1,0,0,0,0|2,0,0]=3 522 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,1,0,0,0,0|2,0,0]=3 525 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,1,0,0,0,0|2,0,0]=3 526 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,1,0,0,0,0|3,0,0]=4 528 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [0,1,0,0,0,0|2,0,0]=3 532 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.1 c1cc(ccc1N=C=S)Br TS44460 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.1 c1cc(ccc1N=C=S)Cl TS09684 [0,1,0,0,0,0|2,0,1]=4 540 B10R1.1 c1cc(ccc1N=C=S)F TS03101 [0,1,0,0,0,0|2,0,1]=4 541 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.1 c1cc(ncc1Br)CCN TS88073 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.1 c1cc(ncc1Br)CCO TS86702 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.3 C#Cc1ccc(cc1)C#C TS05164 [0,1,0,0,0,0|1,0,2]=4 547 B10R1.3 C#Cc1ccc(cc1)C#N TS32967 [0,1,0,0,0,0|1,0,2]=4 548 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [0,1,0,0,0,0|1,0,2]=4 549 B10R1.3 C1=CC(=NO)C=CC1=NO TS06241 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [0,1,0,0,0,0|1,0,2]=4 551 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [0,1,0,0,0,0|1,0,2]=4 552 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [0,1,0,0,0,0|1,0,2]=4 553 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [0,1,0,0,0,0|1,0,1]=3 554 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [0,1,0,0,0,0|1,0,1]=3 555 B10R1.3 CCc1ccc(cc1)C#C TS59670 [0,1,0,0,0,0|1,0,1]=3 556 B10R1.3 CCc1ccc(cc1)C#N TS05665 [0,1,0,0,0,0|1,0,1]=3 557 B10R1.3 CCc1ccc(cc1)C=C TS36711 [0,1,0,0,0,0|1,0,1]=3 558 B10R1.3 CCc1ccc(cc1)C=O TS36835 [0,1,0,0,0,0|1,0,1]=3 559 B10R1.3 CCc1ccc(cc1)CC TS05932 [0,1,0,0,0,0|1,0,0]=2 560 B10R1.3 CCc1ccc(cc1)CCl TS07791 [0,1,0,0,0,0|1,0,0]=2 561 B10R1.3 CCc1ccc(cc1)CN TS36956 [0,1,0,0,0,0|1,0,0]=2 562 B10R1.3 CCc1ccc(cc1)CO TS06078 [0,1,0,0,0,0|1,0,0]=2 563 B10R1.3 CCc1ccc(cc1)OC TS06096 [0,1,0,0,0,0|0,0,0]=1 564 B10R1.3 CCc1ccc(nc1)C=C TS65158 [0,1,0,0,0,0|2,0,1]=4 565 B10R1.3 CCc1cnc(cn1)CC TS37027 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.3 CNc1ccc(cc1)C#N TS07763 [0,1,0,0,0,0|1,0,1]=3 567 B10R1.3 CNc1ccc(cc1)OC TS01939 [0,1,0,0,0,0|0,0,0]=1 568 B10R1.3 COc1ccc(cc1)C#C TS03157 [0,1,0,0,0,0|0,0,1]=2 569 B10R1.3 COc1ccc(cc1)C#N TS07812 [0,1,0,0,0,0|0,0,1]=2 570 B10R1.3 COc1ccc(cc1)C=C TS36841 [0,1,0,0,0,0|0,0,1]=2 571 B10R1.3 COc1ccc(cc1)C=O TS36981 [0,1,0,0,0,0|0,0,1]=2 572 B10R1.3 COc1ccc(cc1)CBr TS03143 [0,1,0,0,0,0|0,0,0]=1 573 B10R1.3 COc1ccc(cc1)CCl TS60060 [0,1,0,0,0,0|0,0,0]=1 574 B10R1.3 COc1ccc(cc1)CN TS03142 [0,1,0,0,0,0|0,0,0]=1 575 B10R1.3 COc1ccc(cc1)CS TS03144 [0,1,0,0,0,0|0,0,0]=1 576 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [0,1,0,0,0,0|0,0,0]=1 577 B10R1.3 COc1ccc(cc1)NN TS45874 [0,1,0,0,0,0|1,0,0]=2 578 B10R1.3 COc1ccc(cc1)OC TS07887 [0,1,0,0,0,0|0,0,0]=1 579 B10R1.3 COc1ccc(cc1)SC TS41410 [0,1,0,0,0,0|0,0,0]=1 580 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [0,1,0,0,0,0|1,0,0]=2 581 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [0,1,0,0,0,0|1,0,0]=2 582 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [0,1,0,0,0,0|0,0,1]=2 583 B10R1.3 COc1ccc(cn1)C#C TS88941 [0,1,0,0,0,0|1,0,1]=3 584 B10R1.3 COc1ccc(cn1)C#N TS55433 [0,1,0,0,0,0|1,0,1]=3 585 B10R1.3 COc1ccc(cn1)C=O TS55618 [0,1,0,0,0,0|1,0,1]=3 586 B10R1.3 COc1ccc(cn1)CN TS91541 [0,1,0,0,0,0|1,0,0]=2 587 B10R1.3 COc1ccc(cn1)CO TS87332 [0,1,0,0,0,0|1,0,0]=2 588 B10R1.3 COc1ccc(cn1)NN TS71564 [0,1,0,0,0,0|2,0,0]=3 589 B10R1.3 COc1ccc(nc1)C#N TS91172 [0,1,0,0,0,0|1,0,1]=3 590 B10R1.3 COc1ccc(nc1)C=O TS87371 [0,1,0,0,0,0|1,0,1]=3 591 B10R1.3 COc1ccc(nc1)CCl TS90886 [0,1,0,0,0,0|1,0,0]=2 592 B10R1.3 COc1ccc(nc1)CO TS91157 [0,1,0,0,0,0|1,0,0]=2 593 B10R1.3 COc1ccc(nc1)OC TS94185 [0,1,0,0,0,0|1,0,0]=2 594 B10R1.3 COc1ncc(cn1)C=O TS55436 [0,1,0,0,0,0|2,0,1]=4 595 B10R1.3 COc1ncc(cn1)CN TS06379 [0,1,0,0,0,0|2,0,0]=3 596 B10R1.3 CSc1ccc(cc1)C#N TS40765 [0,1,0,0,0,0|0,1,1]=3 597 B10R1.3 CSc1ccc(cc1)C=O TS71245 [0,1,0,0,0,0|0,1,1]=3 598 B10R1.3 CSc1ccc(cc1)CCl TS13280 [0,1,0,0,0,0|0,1,0]=2 599 B10R1.3 CSc1ccc(cc1)CO TS41407 [0,1,0,0,0,0|0,1,0]=2 600 B10R1.3 CSc1ccc(cc1)NN TS46693 [0,1,0,0,0,0|1,1,0]=3 601 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [0,1,0,0,0,0|1,1,0]=3 602 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [0,1,0,0,0,0|1,1,0]=3 603 B10R1.3 [C-]#[N+]c1ccc(cc1)[N+]#[C-] TS05319 [0,1,0,0,0,0|1,0,2]=4 604 B10R1.3 c1cc(ccc1C#N)C#N TS05323 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.3 c1cc(ccc1C#N)NN TS03066 [0,1,0,0,0,0|2,0,1]=4 606 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [0,1,0,0,0,0|2,0,1]=4 607 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [0,1,0,0,0,0|2,0,1]=4 608 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [0,1,0,0,0,0|2,0,0]=3 611 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [0,1,0,0,0,0|2,0,0]=3 612 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [0,1,0,0,0,0|2,0,0]=3 613 B10R1.3 c1cc(ccc1CN)C#N TS03059 [0,1,0,0,0,0|2,0,0]=3 614 B10R1.3 c1cc(ccc1CN)C#N TS16889 [0,1,0,0,0,0|2,0,0]=3 615 B10R1.3 c1cc(ccc1CN)CO TS03000 [0,1,0,0,0,0|2,0,0]=3 616 B10R1.3 c1cc(ccc1CN)CO TS45704 [0,1,0,0,0,0|2,0,0]=3 617 B10R1.3 c1cc(ccc1CO)C#N TS01797 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.3 c1cc(ccc1CO)CBr TS16757 [0,1,0,0,0,0|2,0,0]=3 619 B10R1.3 c1cc(ccc1CO)CO TS06244 [0,1,0,0,0,0|2,0,0]=3 620 B10R1.3 c1cc(ccc1CS)CS TS12899 [0,1,0,0,0,0|2,0,0]=3 621 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [0,1,0,0,0,0|2,0,0]=3 622 B10R1.3 c1cc(ncc1CBr)C#N TS18395 [0,1,0,0,0,0|3,0,0]=4 623 B10R1.3 c1cc(ncc1CN)C#N TS36769 [0,1,0,0,0,0|3,0,0]=4 624 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,1,0,0,0,0|3,0,0]=4 625 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,1,0,0,0,0|2,0,0]=3 626 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,1,0,0,0,0|3,0,0]=4 627 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,1,0,0,0,0|3,0,0]=4 628 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,1,0,0,0,0|3,0,0]=4 629 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,1,0,0,0,0|3,0,0]=4 630 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,1,0,0,0,0|3,0,0]=4 631 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [0,1,0,0,0,0|3,0,0]=4 632 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [0,1,0,0,0,0|3,0,0]=4 633 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,1,0,0,0,0|2,0,0]=3 634 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,1,0,0,0,0|2,0,0]=3 635 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,0,0|2,0,0]=3 636 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,0,0|2,0,0]=3 637 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,0,0|2,0,0]=3 638 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,0,0|2,0,0]=3 639 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,0,0|2,0,0]=3 640 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,0,0|3,0,0]=4 644 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,1,0,0,0,0|3,0,0]=4 645 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,1,0,0,0,0|2,0,0]=3 646 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,1,0,0,0,0|2,0,0]=3 647 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,1,0,0,0,0|2,0,0]=3 648 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,1,0,0,0,0|2,0,0]=3 649 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,1,0,0,0,0|2,0,0]=3 650 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,1,0,0,0,0|2,0,0]=3 651 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,1,0,0,0,0|2,0,0]=3 654 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,1,0,0,0,0|2,0,0]=3 655 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,1,0,0,0,0|2,0,0]=3 656 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,1,0,0,0,0|2,0,0]=3 657 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,1,0,0,0,0|2,0,0]=3 658 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.13 CC1=CCC(C=C1)C(C)C TS37056 [0,1,0,0,0,0|1,0,2]=4 660 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C TS37050 [0,1,0,0,0,0|1,0,2]=4 661 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,1,0,0,0,0|2,0,0]=3 662 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,1,0,0,0,0|2,0,0]=3 663 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,1,0,0,0,0|2,0,0]=3 664 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,1,0,0,0,0|2,0,0]=3 666 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,1,0,0,0,0|2,0,0]=3 667 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [0,1,0,0,0,0|3,0,0]=4 669 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,1,0,0,0,0|1,1,0]=3 670 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,1,0,0,0,0|1,1,0]=3 671 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,1,0,0,0,0|1,1,0]=3 672 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,1,0,0,0,0|2,0,0]=3 673 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,1,0,0,0,0|2,0,0]=3 674 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,1,0,0,0,0|2,0,0]=3 675 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,1,0,0,0,0|2,0,0]=3 676 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,1,0,0,0,0|2,0,0]=3 677 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,1,0,0,0,0|2,0,0]=3 678 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,1,0,0,0,0|2,0,0]=3 679 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,1,0,0,0,0|2,0,0]=3 680 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,1,0,0,0,0|2,0,0]=3 681 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,1,0,0,0,0|2,0,0]=3 682 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,1,0,0,0,0|2,0,0]=3 683 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,1,0,0,0,0|2,0,0]=3 684 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,0|1,0,0]=2 686 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,1,0,0,0,0|2,0,0]=3 687 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,0|1,0,0]=2 688 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,0,0|2,0,0]=3 689 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,0,0|2,0,0]=3 690 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,0,0|2,0,0]=3 691 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,1,0,0,0,0|2,0,0]=3 692 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,1,0,0,0,0|1,0,0]=2 693 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,1,0,0,0,0|1,0,0]=2 694 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,1,0,0,0,0|1,0,0]=2 695 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,1,0,0,0,0|1,0,0]=2 696 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,1,0,0,0,0|2,0,0]=3 697 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,1,0,0,0,0|1,0,0]=2 698 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,0|0,1,0]=2 699 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,0|0,1,0]=2 700 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,1,0,0,0,0|1,1,0]=3 701 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,1,0,0,0,0|1,1,0]=3 702 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,1,0,0,0,0|1,1,0]=3 703 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,1,0,0,0,0|1,1,0]=3 704 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,1,0,0,0,0|1,1,0]=3 705 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,1,0,0,0,0|1,1,0]=3 706 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,1,0,0,0,0|1,0,0]=2 707 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,1,0,0,0,0|1,0,0]=2 708 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,1,0,0,0,0|1,0,0]=2 709 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,1,0,0,0,0|2,0,0]=3 710 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,0|2,0,0]=3 711 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,0,0|3,0,0]=4 712 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,0,0|3,0,0]=4 713 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,1,0,0,0,0|3,0,0]=4 714 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,1,0,0,0,0|3,0,0]=4 715 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,0|2,0,0]=3 716 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,0,0|3,0,0]=4 717 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,1,0,0,0,0|2,0,0]=3 718 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,1,0,0,0,0|3,0,0]=4 719 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,1,0,0,0,0|3,0,0]=4 720 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,1,0,0,0,0|3,0,0]=4 721 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,1,0,0,0,0|3,0,0]=4 722 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,1,0,0,0,0|3,0,0]=4 723 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,1,0,0,0,0|3,0,0]=4 724 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,1,0,0,0,0|3,0,0]=4 725 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,1,0,0,0,0|3,0,0]=4 726 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,1,0,0,0,0|3,0,0]=4 728 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,1,0,0,0,0|3,0,0]=4 729 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,0,0|3,0,0]=4 730 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,0,0|3,0,0]=4 731 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,0,0|3,0,0]=4 732 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,0,0|3,0,0]=4 733 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,0,0|3,0,0]=4 734 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,0,0|3,0,0]=4 735 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,0,0|3,0,0]=4 736 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,0,0|3,0,0]=4 737 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,0,0|3,0,0]=4 738 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,0,0|3,0,0]=4 739 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,0,0|3,0,0]=4 740 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,0,0|3,0,0]=4 741 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,0,0|3,0,0]=4 742 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,0,0|3,0,0]=4 743 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,0,0|3,0,0]=4 744 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,0,0|3,0,0]=4 745 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,0,0|3,0,0]=4 746 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,0,0|3,0,0]=4 747 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,0,0|3,0,0]=4 748 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,0,0|3,0,0]=4 749 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,0,0|3,0,0]=4 750 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,0,0|3,0,0]=4 751 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,0,0|3,0,0]=4 752 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,1,0,0,0,0|3,0,0]=4 753 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,1,0,0,0,0|3,0,0]=4 754 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,1,0,0,0,0|3,0,0]=4 755 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,1,0,0,0,0|3,0,0]=4 756 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,1,0,0,0,0|3,0,0]=4 758 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,1,0,0,0,0|3,0,0]=4 759 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,1,0,0,0,0|3,0,0]=4 760 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,1,0,0,0,0|2,1,0]=4 761 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,1,0,0,0,0|2,1,0]=4 762 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,1,0,0,0,0|3,0,0]=4 763 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,1,0,0,0,0|3,0,0]=4 764 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,1,0,0,0,0|2,1,0]=4 765 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,1,0,0,0,0|2,1,0]=4 766 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,1,0,0,0,0|3,0,0]=4 767 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,1,0,0,0,0|3,0,0]=4 768 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,1,0,0,0,0|3,0,0]=4 769 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,1,0,0,0,0|3,0,0]=4 770 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,1,0,0,0,0|3,0,0]=4 771 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,1,0,0,0,0|3,0,0]=4 772 B10R1.25 C#Cc1ccc(cc1F)Br TS18764 [0,1,0,0,0,0|2,0,1]=4 773 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [0,1,0,0,0,0|2,0,1]=4 774 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [0,1,0,0,0,0|3,0,0]=4 775 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [0,1,0,0,0,0|3,0,0]=4 776 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [0,1,0,0,0,0|2,0,0]=3 777 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,1,0,0,0,0|1,0,0]=2 778 B10R1.25 CCc1ccc(cc1O)O TS06247 [0,1,0,0,0,0|2,0,0]=3 779 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,1,0,0,0,0|2,0,0]=3 780 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,1,0,0,0,0|2,0,0]=3 781 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [0,1,0,0,0,0|3,0,0]=4 782 B10R1.25 CCn1ccc(cc1=O)N TS88737 [0,1,0,0,0,0|3,0,0]=4 783 B10R1.25 CNc1ccc(cc1F)F TS40063 [0,1,0,0,0,0|2,0,0]=3 784 B10R1.25 COc1c(cc(cn1)Br)Br TS85440 [0,1,0,0,0,0|2,0,0]=3 785 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [0,1,0,0,0,0|2,0,0]=3 786 B10R1.25 COc1c(cc(cn1)Br)F TS60302 [0,1,0,0,0,0|2,0,0]=3 787 B10R1.25 COc1c(cc(cn1)Br)I TS61113 [0,1,0,0,0,0|2,0,0]=3 788 B10R1.25 COc1c(cc(cn1)Br)N TS86976 [0,1,0,0,0,0|2,0,0]=3 789 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [0,1,0,0,0,0|2,0,0]=3 790 B10R1.25 COc1c(cc(cn1)Cl)Br TS55426 [0,1,0,0,0,0|2,0,0]=3 791 B10R1.25 COc1c(cc(cn1)Cl)F TS11466 [0,1,0,0,0,0|2,0,0]=3 792 B10R1.25 COc1c(cc(cn1)F)Br TS65083 [0,1,0,0,0,0|2,0,0]=3 793 B10R1.25 COc1c(cc(cn1)N)Br TS16776 [0,1,0,0,0,0|2,0,0]=3 794 B10R1.25 COc1c(cc(cn1)N)F TS02650 [0,1,0,0,0,0|2,0,0]=3 795 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,1,0,0,0,0|1,0,0]=2 796 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,1,0,0,0,0|1,0,0]=2 797 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,1,0,0,0,0|1,0,0]=2 798 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,1,0,0,0,0|1,0,0]=2 799 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,1,0,0,0,0|1,0,0]=2 800 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,1,0,0,0,0|1,0,0]=2 801 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,1,0,0,0,0|1,0,0]=2 802 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,1,0,0,0,0|1,0,0]=2 803 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,1,0,0,0,0|1,0,0]=2 804 B10R1.25 COc1ccc(cc1F)F TS09234 [0,1,0,0,0,0|1,0,0]=2 805 B10R1.25 COc1ccc(cc1F)N TS02745 [0,1,0,0,0,0|1,0,0]=2 806 B10R1.25 COc1ccc(cc1F)O TS02753 [0,1,0,0,0,0|1,0,0]=2 807 B10R1.25 COc1ccc(cc1F)S TS10975 [0,1,0,0,0,0|1,0,0]=2 808 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,1,0,0,0,0|1,0,0]=2 809 B10R1.25 COc1ccc(cc1I)N TS39440 [0,1,0,0,0,0|1,0,0]=2 810 B10R1.25 COc1ccc(cc1I)N TS54863 [0,1,0,0,0,0|1,0,0]=2 811 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,1,0,0,0,0|1,0,0]=2 812 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,1,0,0,0,0|1,0,0]=2 813 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,1,0,0,0,0|1,0,0]=2 814 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,1,0,0,0,0|1,0,0]=2 815 B10R1.25 COc1ccc(cc1N)F TS07833 [0,1,0,0,0,0|1,0,0]=2 816 B10R1.25 COc1ccc(cc1N)I TS65363 [0,1,0,0,0,0|1,0,0]=2 817 B10R1.25 COc1ccc(cc1N)N TS37199 [0,1,0,0,0,0|1,0,0]=2 818 B10R1.25 COc1ccc(cc1N)N TS43949 [0,1,0,0,0,0|1,0,0]=2 819 B10R1.25 COc1ccc(cc1N)N TS56780 [0,1,0,0,0,0|1,0,0]=2 820 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,1,0,0,0,0|1,0,0]=2 821 B10R1.25 COc1ccc(cc1O)F TS07835 [0,1,0,0,0,0|1,0,0]=2 822 B10R1.25 COc1ccc(cc1O)N TS37282 [0,1,0,0,0,0|1,0,0]=2 823 B10R1.25 COc1ccc(cc1O)O TS06433 [0,1,0,0,0,0|1,0,0]=2 824 B10R1.25 COc1ccc(cc1S)F TS10974 [0,1,0,0,0,0|1,0,0]=2 825 B10R1.25 COc1ccc(cn1=O)F TS40058 [0,1,0,0,0,0|2,0,0]=3 826 B10R1.25 COc1ccc(nc1Br)N TS60092 [0,1,0,0,0,0|2,0,0]=3 827 B10R1.25 COc1ccc(nc1Cl)N TS85122 [0,1,0,0,0,0|2,0,0]=3 828 B10R1.25 COc1ccc(nc1F)Br TS32806 [0,1,0,0,0,0|2,0,0]=3 829 B10R1.25 COc1cnc([nH]c1=O)N TS37481 [0,1,0,0,0,0|3,0,0]=4 830 B10R1.25 COc1cnc(cc1Cl)N TS86843 [0,1,0,0,0,0|2,0,0]=3 831 B10R1.25 COc1cnc(nc1Cl)Cl TS00610 [0,1,0,0,0,0|3,0,0]=4 832 B10R1.25 COc1cnc(nc1Cl)N TS59611 [0,1,0,0,0,0|3,0,0]=4 833 B10R1.25 COc1cnc(nc1O)S TS10964 [0,1,0,0,0,0|3,0,0]=4 834 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,1,0,0,0,0|1,1,0]=3 835 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [0,1,0,0,0,0|2,0,0]=3 836 B10R1.25 Cc1cc(c(cn1)C#N)Cl TS10257 [0,1,0,0,0,0|3,0,0]=4 837 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,1,0,0,0,0|3,0,0]=4 838 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,1,0,0,0,0|3,0,0]=4 839 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,1,0,0,0,0|3,0,0]=4 840 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,1,0,0,0,0|3,0,0]=4 841 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,1,0,0,0,0|3,0,0]=4 842 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,1,0,0,0,0|3,0,0]=4 843 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,1,0,0,0,0|3,0,0]=4 844 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,1,0,0,0,0|3,0,0]=4 845 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,1,0,0,0,0|3,0,0]=4 846 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,1,0,0,0,0|3,0,0]=4 847 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,1,0,0,0,0|3,0,0]=4 848 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,1,0,0,0,0|1,0,0]=2 849 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,1,0,0,0,0|1,0,0]=2 850 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,1,0,0,0,0|1,0,0]=2 851 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,1,0,0,0,0|1,0,0]=2 852 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,1,0,0,0,0|1,0,0]=2 853 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,1,0,0,0,0|1,1,0]=3 854 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,1,0,0,0,0|3,0,0]=4 855 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,1,0,0,0,0|2,0,1]=4 856 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [0,1,0,0,0,0|2,0,0]=3 857 B10R1.25 Cc1cc(cnc1OC)F TS39347 [0,1,0,0,0,0|2,0,0]=3 858 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [0,1,0,0,0,0|3,0,0]=4 859 B10R1.25 Cc1ccc(c(=O)[nH]1)C#N TS32937 [0,1,0,0,0,0|3,0,0]=4 860 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,1,0,0,0,0|2,0,0]=3 861 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,1,0,0,0,0|2,0,0]=3 862 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,1,0,0,0,0|0,0,0]=1 863 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,1,0,0,0,0|1,0,1]=3 864 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,1,0,0,0,0|2,0,0]=3 865 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,1,0,0,0,0|1,0,1]=3 866 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,1,0,0,0,0|2,0,0]=3 867 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,1,0,0,0,0|2,0,0]=3 868 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,1,0,0,0,0|2,0,0]=3 869 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,1,0,0,0,0|2,0,0]=3 870 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,1,0,0,0,0|2,0,0]=3 871 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,1,0,0,0,0|2,0,0]=3 872 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,1,0,0,0,0|0,0,0]=1 873 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,1,0,0,0,0|2,0,0]=3 874 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,1,0,0,0,0|2,0,0]=3 875 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,1,0,0,0,0|0,0,0]=1 876 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,1,0,0,0,0|2,0,0]=3 877 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,1,0,0,0,0|2,0,0]=3 878 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,1,0,0,0,0|2,0,0]=3 879 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,1,0,0,0,0|0,0,0]=1 880 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,1,0,0,0,0|0,0,0]=1 881 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,1,0,0,0,0|2,0,0]=3 882 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,1,0,0,0,0|0,0,0]=1 883 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,1,0,0,0,0|2,0,0]=3 884 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,1,0,0,0,0|2,0,0]=3 885 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,1,0,0,0,0|0,0,0]=1 886 B10R1.25 Cc1ccc(c(n1)Br)C#N TS90324 [0,1,0,0,0,0|3,0,0]=4 887 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,1,0,0,0,0|1,0,0]=2 888 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,1,0,0,0,0|3,0,0]=4 889 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [0,1,0,0,0,0|3,0,0]=4 890 B10R1.25 Cc1ccc(c(n1)Cl)C#N TS46397 [0,1,0,0,0,0|3,0,0]=4 891 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [0,1,0,0,0,0|3,0,0]=4 892 B10R1.25 Cc1ccc(c(n1)F)C#N TS36974 [0,1,0,0,0,0|3,0,0]=4 893 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [0,1,0,0,0,0|3,0,0]=4 894 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [0,1,0,0,0,0|2,1,0]=4 895 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [0,1,0,0,0,0|2,0,1]=4 896 B10R1.25 [C-]#[N+]c1ccc(cc1F)Br TS18922 [0,1,0,0,0,0|2,0,1]=4 897 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [0,1,0,0,0,0|3,0,0]=4 898 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,1,0,0,0,0|3,0,0]=4 899 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,1,0,0,0,0|3,0,0]=4 900 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [0,1,0,0,0,0|3,0,0]=4 901 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,1,0,0,0,0|3,0,0]=4 902 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,1,0,0,0,0|3,0,0]=4 903 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [0,1,0,0,0,0|3,0,0]=4 904 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [0,1,0,0,0,0|3,0,0]=4 905 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [0,1,0,0,0,0|3,0,0]=4 906 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,1,0,0,0,0|3,0,0]=4 907 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [0,1,0,0,0,0|3,0,0]=4 908 B10R1.25 c1cc(c(cc1Cl)Br)C#N TS49172 [0,1,0,0,0,0|3,0,0]=4 909 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [0,1,0,0,0,0|3,0,0]=4 910 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,1,0,0,0,0|3,0,0]=4 911 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [0,1,0,0,0,0|3,0,0]=4 912 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [0,1,0,0,0,0|3,0,0]=4 913 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [0,1,0,0,0,0|3,0,0]=4 914 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [0,1,0,0,0,0|3,0,0]=4 915 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [0,1,0,0,0,0|3,0,0]=4 916 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [0,1,0,0,0,0|3,0,0]=4 917 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,1,0,0,0,0|3,0,0]=4 918 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [0,1,0,0,0,0|3,0,0]=4 919 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [0,1,0,0,0,0|3,0,0]=4 920 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [0,1,0,0,0,0|3,0,0]=4 921 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [0,1,0,0,0,0|3,0,0]=4 922 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [0,1,0,0,0,0|3,0,0]=4 923 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [0,1,0,0,0,0|3,0,0]=4 924 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [0,1,0,0,0,0|3,0,0]=4 925 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [0,1,0,0,0,0|3,0,0]=4 926 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,1,0,0,0,0|3,0,0]=4 927 B10R1.25 c1cc(c(cc1F)Br)C#N TS08317 [0,1,0,0,0,0|3,0,0]=4 928 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,1,0,0,0,0|3,0,0]=4 929 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [0,1,0,0,0,0|3,0,0]=4 930 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [0,1,0,0,0,0|3,0,0]=4 931 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [0,1,0,0,0,0|3,0,0]=4 932 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [0,1,0,0,0,0|3,0,0]=4 933 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,1,0,0,0,0|3,0,0]=4 934 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [0,1,0,0,0,0|3,0,0]=4 935 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [0,1,0,0,0,0|3,0,0]=4 936 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [0,1,0,0,0,0|3,0,0]=4 937 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [0,1,0,0,0,0|3,0,0]=4 938 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [0,1,0,0,0,0|3,0,0]=4 939 B10R1.25 c1cc(c(cc1F)F)C#N TS00631 [0,1,0,0,0,0|3,0,0]=4 940 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,1,0,0,0,0|3,0,0]=4 941 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [0,1,0,0,0,0|3,0,0]=4 942 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [0,1,0,0,0,0|3,0,0]=4 943 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [0,1,0,0,0,0|3,0,0]=4 944 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [0,1,0,0,0,0|3,0,0]=4 945 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [0,1,0,0,0,0|3,0,0]=4 946 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [0,1,0,0,0,0|3,0,0]=4 947 B10R1.25 c1cc(c(cc1F)N)C#N TS00752 [0,1,0,0,0,0|3,0,0]=4 948 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [0,1,0,0,0,0|3,0,0]=4 949 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [0,1,0,0,0,0|3,0,0]=4 950 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,1,0,0,0,0|3,0,0]=4 951 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,1,0,0,0,0|3,0,0]=4 952 B10R1.25 c1cc(c(cc1I)F)C#N TS09295 [0,1,0,0,0,0|3,0,0]=4 953 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,1,0,0,0,0|3,0,0]=4 954 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [0,1,0,0,0,0|3,0,0]=4 955 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [0,1,0,0,0,0|3,0,0]=4 956 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [0,1,0,0,0,0|3,0,0]=4 957 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,1,0,0,0,0|3,0,0]=4 958 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [0,1,0,0,0,0|3,0,0]=4 959 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,1,0,0,0,0|3,0,0]=4 960 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [0,1,0,0,0,0|3,0,0]=4 961 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,1,0,0,0,0|3,0,0]=4 962 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [0,1,0,0,0,0|3,0,0]=4 963 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [0,1,0,0,0,0|3,0,0]=4 964 B10R1.176 C#Cc1ccc(c(c1)Cl)Cl TS46781 [0,1,0,0,0,0|2,0,1]=4 965 B10R1.176 C#Cc1ccc(c(c1)F)F TS06225 [0,1,0,0,0,0|2,0,1]=4 966 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [0,1,0,0,0,0|2,0,1]=4 967 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [0,1,0,0,0,0|2,0,1]=4 968 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [0,1,0,0,0,0|1,0,0]=2 969 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [0,1,0,0,0,0|2,0,0]=3 970 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [0,1,0,0,0,0|2,0,0]=3 971 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [0,1,0,0,0,0|2,0,0]=3 972 B10R1.176 CCc1cnc(c(n1)C)C TS37046 [0,1,0,0,0,0|3,0,0]=4 973 B10R1.176 COc1[nH]c(=O)c(cn1)F TS06915 [0,1,0,0,0,0|3,0,0]=4 974 B10R1.176 COc1cc(c(cn1)Br)N TS87112 [0,1,0,0,0,0|2,0,0]=3 975 B10R1.176 COc1cc(c(cn1)F)Br TS16770 [0,1,0,0,0,0|2,0,0]=3 976 B10R1.176 COc1cc(c(cn1)F)I TS65163 [0,1,0,0,0,0|2,0,0]=3 977 B10R1.176 COc1cc(c(cn1)N)N TS01260 [0,1,0,0,0,0|2,0,0]=3 978 B10R1.176 COc1cc(c(nc1)Cl)Cl TS46360 [0,1,0,0,0,0|2,0,0]=3 979 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [0,1,0,0,0,0|1,0,0]=2 980 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [0,1,0,0,0,0|1,0,0]=2 981 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [0,1,0,0,0,0|1,0,0]=2 982 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [0,1,0,0,0,0|1,0,0]=2 983 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [0,1,0,0,0,0|1,0,0]=2 984 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [0,1,0,0,0,0|1,0,0]=2 985 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [0,1,0,0,0,0|1,0,0]=2 986 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [0,1,0,0,0,0|1,0,0]=2 987 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [0,1,0,0,0,0|1,0,0]=2 988 B10R1.176 COc1ccc(c(c1)F)F TS60319 [0,1,0,0,0,0|1,0,0]=2 989 B10R1.176 COc1ccc(c(c1)F)N TS55333 [0,1,0,0,0,0|1,0,0]=2 990 B10R1.176 COc1ccc(c(c1)F)O TS55337 [0,1,0,0,0,0|1,0,0]=2 991 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [0,1,0,0,0,0|1,0,0]=2 992 B10R1.176 COc1ccc(c(c1)I)N TS60298 [0,1,0,0,0,0|1,0,0]=2 993 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [0,1,0,0,0,0|1,0,0]=2 994 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [0,1,0,0,0,0|1,0,0]=2 995 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [0,1,0,0,0,0|1,0,0]=2 996 B10R1.176 COc1ccc(c(c1)N)F TS09302 [0,1,0,0,0,0|1,0,0]=2 997 B10R1.176 COc1ccc(c(c1)N)N TS94383 [0,1,0,0,0,0|1,0,0]=2 998 B10R1.176 COc1ccc(c(c1)N)O TS08806 [0,1,0,0,0,0|1,0,0]=2 999 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [0,1,0,0,0,0|1,0,0]=2 1000 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [0,1,0,0,0,0|1,0,0]=2 1001 B10R1.176 COc1ccc(c(c1)O)N TS13758 [0,1,0,0,0,0|1,0,0]=2 1002 B10R1.176 COc1ccc(c(n1)Br)N TS85165 [0,1,0,0,0,0|2,0,0]=3 1003 B10R1.176 COc1ncc(c(n1)N)F TS40059 [0,1,0,0,0,0|3,0,0]=4 1004 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [0,1,0,0,0,0|1,1,0]=3 1005 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [0,1,0,0,0,0|2,0,0]=3 1006 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [0,1,0,0,0,0|2,0,0]=3 1007 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [0,1,0,0,0,0|2,0,0]=3 1008 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [0,1,0,0,0,0|2,0,0]=3 1009 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [0,1,0,0,0,0|3,0,0]=4 1010 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [0,1,0,0,0,0|3,0,0]=4 1011 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [0,1,0,0,0,0|1,0,0]=2 1012 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [0,1,0,0,0,0|3,0,0]=4 1013 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [0,1,0,0,0,0|3,0,0]=4 1014 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [0,1,0,0,0,0|3,0,0]=4 1015 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [0,1,0,0,0,0|1,0,0]=2 1016 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [0,1,0,0,0,0|2,0,1]=4 1017 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [0,1,0,0,0,0|3,0,0]=4 1018 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [0,1,0,0,0,0|3,0,0]=4 1019 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [0,1,0,0,0,0|3,0,0]=4 1020 B10R1.176 Cc1cc(ccc1F)CN TS39504 [0,1,0,0,0,0|3,0,0]=4 1021 B10R1.176 Cc1cc(ccc1F)CO TS37371 [0,1,0,0,0,0|3,0,0]=4 1022 B10R1.176 Cc1cc(ccc1F)OC TS60402 [0,1,0,0,0,0|1,0,0]=2 1023 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [0,1,0,0,0,0|3,0,0]=4 1024 B10R1.176 Cc1cc(ccc1N)OC TS71202 [0,1,0,0,0,0|1,0,0]=2 1025 B10R1.176 Cc1cc(ccn1=O)OC TS37281 [0,1,0,0,0,0|2,0,0]=3 1026 B10R1.176 Cc1cc(ncc1Br)OC TS85442 [0,1,0,0,0,0|2,0,0]=3 1027 B10R1.176 Cc1cc(ncc1F)OC TS06580 [0,1,0,0,0,0|2,0,0]=3 1028 B10R1.176 Cc1cc(ncc1N)OC TS37189 [0,1,0,0,0,0|2,0,0]=3 1029 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [0,1,0,0,0,0|2,0,0]=3 1030 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [0,1,0,0,0,0|2,0,0]=3 1031 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [0,1,0,0,0,0|2,0,0]=3 1032 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [0,1,0,0,0,0|2,0,0]=3 1033 B10R1.176 Cc1ccc(cc1C)CN TS65456 [0,1,0,0,0,0|2,0,0]=3 1034 B10R1.176 Cc1ccc(cc1C)CO TS65455 [0,1,0,0,0,0|2,0,0]=3 1035 B10R1.176 Cc1ccc(cc1C)NN TS13274 [0,1,0,0,0,0|2,0,0]=3 1036 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,1,0,0,0,0|0,0,0]=1 1037 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [0,1,0,0,0,0|2,0,0]=3 1038 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [0,1,0,0,0,0|2,0,0]=3 1039 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [0,1,0,0,0,0|2,0,0]=3 1040 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [0,1,0,0,0,0|2,0,0]=3 1041 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [0,1,0,0,0,0|2,0,0]=3 1042 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [0,1,0,0,0,0|2,0,0]=3 1043 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,1,0,0,0,0|0,0,0]=1 1044 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [0,1,0,0,0,0|2,0,0]=3 1045 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [0,1,0,0,0,0|2,0,0]=3 1046 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [0,1,0,0,0,0|2,0,0]=3 1047 B10R1.176 Cc1ccc(cc1F)CN TS65517 [0,1,0,0,0,0|2,0,0]=3 1048 B10R1.176 Cc1ccc(cc1F)CO TS06453 [0,1,0,0,0,0|2,0,0]=3 1049 B10R1.176 Cc1ccc(cc1F)NN TS65519 [0,1,0,0,0,0|2,0,0]=3 1050 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,1,0,0,0,0|0,0,0]=1 1051 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [0,1,0,0,0,0|2,0,0]=3 1052 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,1,0,0,0,0|0,0,0]=1 1053 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [0,1,0,0,0,0|2,0,0]=3 1054 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [0,1,0,0,0,0|3,0,0]=4 1055 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [0,1,0,0,0,0|3,0,0]=4 1056 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [0,1,0,0,0,0|3,0,0]=4 1057 B10R1.176 [C-]#[N+]c1ccc(c(c1)Cl)Cl TS13097 [0,1,0,0,0,0|2,0,1]=4 1058 B10R1.176 c1cc(c(cc1C#N)Br)Cl TS65916 [0,1,0,0,0,0|3,0,0]=4 1059 B10R1.176 c1cc(c(cc1C#N)Br)F TS09444 [0,1,0,0,0,0|3,0,0]=4 1060 B10R1.176 c1cc(c(cc1C#N)Br)N TS39468 [0,1,0,0,0,0|3,0,0]=4 1061 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [0,1,0,0,0,0|3,0,0]=4 1062 B10R1.176 c1cc(c(cc1C#N)Cl)Cl TS13100 [0,1,0,0,0,0|3,0,0]=4 1063 B10R1.176 c1cc(c(cc1C#N)Cl)F TS02683 [0,1,0,0,0,0|3,0,0]=4 1064 B10R1.176 c1cc(c(cc1C#N)Cl)N TS39469 [0,1,0,0,0,0|3,0,0]=4 1065 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [0,1,0,0,0,0|3,0,0]=4 1066 B10R1.176 c1cc(c(cc1C#N)F)Br TS09578 [0,1,0,0,0,0|3,0,0]=4 1067 B10R1.176 c1cc(c(cc1C#N)F)F TS65753 [0,1,0,0,0,0|3,0,0]=4 1068 B10R1.176 c1cc(c(cc1C#N)F)I TS65511 [0,1,0,0,0,0|3,0,0]=4 1069 B10R1.176 c1cc(c(cc1C#N)F)N TS02744 [0,1,0,0,0,0|3,0,0]=4 1070 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [0,1,0,0,0,0|3,0,0]=4 1071 B10R1.176 c1cc(c(cc1C#N)I)N TS70885 [0,1,0,0,0,0|3,0,0]=4 1072 B10R1.176 c1cc(c(cc1C#N)N)Cl TS65853 [0,1,0,0,0,0|3,0,0]=4 1073 B10R1.176 c1cc(c(cc1C#N)N)F TS65467 [0,1,0,0,0,0|3,0,0]=4 1074 B10R1.176 c1cc(c(cc1C#N)N)N TS02528 [0,1,0,0,0,0|3,0,0]=4 1075 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [0,1,0,0,0,0|3,0,0]=4 1076 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [0,1,0,0,0,0|3,0,0]=4 1077 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [0,1,0,0,0,0|3,0,0]=4 1078 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [0,1,0,0,0,0|3,0,0]=4 1079 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [0,1,0,0,0,0|3,0,0]=4 1080 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [0,1,0,0,0,0|3,0,0]=4 1081 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [0,1,0,0,0,0|3,0,0]=4 1082 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [0,1,0,0,0,0|3,0,0]=4 1083 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [0,1,0,0,0,0|3,0,0]=4 1084 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [0,1,0,0,0,0|3,0,0]=4 1085 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [0,1,0,0,0,0|3,0,0]=4 1086 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [0,1,0,0,0,0|3,0,0]=4 1087 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [0,1,0,0,0,0|3,0,0]=4 1088 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [0,1,0,0,0,0|3,0,0]=4 1089 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [0,1,0,0,0,0|3,0,0]=4 1090 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [0,1,0,0,0,0|3,0,0]=4 1091 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [0,1,0,0,0,0|3,0,0]=4 1092 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [0,1,0,0,0,0|3,0,0]=4 1093 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [0,1,0,0,0,0|3,0,0]=4 1094 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [0,1,0,0,0,0|3,0,0]=4 1095 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [0,1,0,0,0,0|3,0,0]=4 1096 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [0,1,0,0,0,0|3,0,0]=4 1097 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [0,1,0,0,0,0|3,0,0]=4 1098 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [0,1,0,0,0,0|3,0,0]=4 1099 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [0,1,0,0,0,0|3,0,0]=4 1100 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [0,1,0,0,0,0|3,0,0]=4 1101 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [0,1,0,0,0,0|3,0,0]=4 1102 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [0,1,0,0,0,0|3,0,0]=4 1103 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [0,1,0,0,0,0|3,0,0]=4 1104 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [0,1,0,0,0,0|3,0,0]=4 1105 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [0,1,0,0,0,0|3,0,0]=4 1106 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [0,1,0,0,0,0|3,0,0]=4 1107 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [0,1,0,0,0,0|3,0,0]=4 1108 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [0,1,0,0,0,0|3,0,0]=4 1109 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [0,1,0,0,0,0|3,0,0]=4 1110 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [0,1,0,0,0,0|3,0,0]=4 1111 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [0,1,0,0,0,0|3,0,0]=4 1112 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [0,1,0,0,0,0|3,0,0]=4 1113 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [0,1,0,0,0,0|3,0,0]=4 1114 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [0,1,0,0,0,0|3,0,0]=4 1115 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [0,1,0,0,0,0|3,0,0]=4 1116 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [0,1,0,0,0,0|3,0,0]=4 1117 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [0,1,0,0,0,0|3,0,0]=4 1118 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [0,1,0,0,0,0|3,0,0]=4 1119 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [0,1,0,0,0,0|3,0,0]=4 1120 B10R1.176 c1cc(c(cc1NN)Cl)Cl TS21553 [0,1,0,0,0,0|3,0,0]=4 1121 B10R1.176 c1cc(c(cc1NN)Cl)F TS18404 [0,1,0,0,0,0|3,0,0]=4 1122 B10R1.176 c1cc(c(cc1NN)Cl)F TS42242 [0,1,0,0,0,0|3,0,0]=4 1123 B10R1.176 c1cc(c(cc1NN)F)F TS47994 [0,1,0,0,0,0|3,0,0]=4 1124 B10R1.176 c1cc(c(cc1NN)F)F TS65759 [0,1,0,0,0,0|3,0,0]=4 1125 B10R1.176 c1cc(c(cc1[Mg]Br)F)F TS49307 [0,1,0,0,0,0|3,0,0]=4 1126 B8R0.9 CC(=O)C=CC(=O)OC TS36270 [0,0,1,0,0,0|2,0,0]=3 1127 B8R0.9 CC(C)C=CC(=O)OC TS36289 [0,0,1,0,0,0|1,0,2]=4 1128 B8R0.9 CN(C)C=CC(=O)OC TS36401 [0,0,1,0,0,0|2,0,1]=4 1129 B8R0.9 COC(=O)C=CC(=O)[O-] TS36456 [0,0,1,0,0,0|3,0,0]=4 1130 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,0,0,0,1,0|1,0,1]=3 1131 B8R1.1 CC[n+]1ccn(c1)C TS13318 [0,0,0,0,1,0|3,0,0]=4 1132 B8R1.1 CC[n+]1ccn(c1)C TS26127 [0,0,0,0,1,0|3,0,0]=4 1133 B8R1.1 CC[n+]1ccn(c1)C TS50146 [0,0,0,0,1,0|3,0,0]=4 1134 B8R1.1 CC[n+]1ccn(c1)C TS53944 [0,0,0,0,1,0|3,0,0]=4 1135 B8R1.1 CC[n+]1ccn(c1)C TS68355 [0,0,0,0,1,0|3,0,0]=4 1136 B8R1.1 CC[n+]1ccn(c1)C TS93305 [0,0,0,0,1,0|3,0,0]=4 1137 B8R1.1 CC[n+]1ccn(c1)C TS93371 [0,0,0,0,1,0|3,0,0]=4 1138 B8R1.1 CC[n+]1ccn(c1)C TS93984 [0,0,0,0,1,0|3,0,0]=4 1139 B8R1.1 CC[n+]1ccn(c1)C TS93985 [0,0,0,0,1,0|3,0,0]=4 1140 B8R1.1 CCc1[nH]cc(n1)C TS04212 [0,0,0,0,1,0|3,0,0]=4 1141 B8R1.1 CCc1[nH]cc(n1)C TS45131 [0,0,0,0,1,0|3,0,0]=4 1142 B8R1.1 CCc1ccc(s1)C TS36173 [0,0,0,0,1,0|2,0,0]=3 1143 B8R1.1 CCc1nc(cs1)C TS36248 [0,0,0,0,1,0|3,0,0]=4 1144 B8R1.1 COC1=CC(=O)NC1 TS32006 [0,0,0,0,1,0|2,0,1]=4 1145 B8R1.1 COC1=CC(=O)OC1 TS32039 [0,0,0,0,1,0|2,0,1]=4 1146 B8R1.1 COc1cc(n[nH]1)N TS86441 [0,0,0,0,1,0|3,0,0]=4 1147 B8R1.1 COc1cc(n[nH]1)N TS91266 [0,0,0,0,1,0|3,0,0]=4 1148 B8R1.1 COc1cc(no1)N TS01142 [0,0,0,0,1,0|3,0,0]=4 1149 B8R1.1 COc1nc(cs1)Br TS17762 [0,0,0,0,1,0|3,0,0]=4 1150 B8R1.1 COc1ncc(s1)Br TS09792 [0,0,0,0,1,0|3,0,0]=4 1151 B8R1.1 Cc1cc(oc1)CN TS89029 [0,0,0,0,1,0|3,0,0]=4 1152 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,0,0,0,1,0|3,0,0]=4 1153 B8R1.1 Cc1cc(sc1)CN TS36247 [0,0,0,0,1,0|3,0,0]=4 1154 B8R1.1 Cc1cc(sc1)CO TS05369 [0,0,0,0,1,0|3,0,0]=4 1155 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,0,0,0,1,0|3,0,0]=4 1156 B8R1.1 Cc1ccc(o1)CBr TS13614 [0,0,0,0,1,0|3,0,0]=4 1157 B8R1.1 Cc1ccc(o1)CN TS31873 [0,0,0,0,1,0|3,0,0]=4 1158 B8R1.1 Cc1ccc(o1)CO TS39784 [0,0,0,0,1,0|3,0,0]=4 1159 B8R1.1 Cc1ccc(s1)C#N TS86062 [0,0,0,0,1,0|3,0,0]=4 1160 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,0,0,0,1,0|3,0,0]=4 1161 B8R1.1 Cc1ccc(s1)CN TS36252 [0,0,0,0,1,0|3,0,0]=4 1162 B8R1.1 Cc1ncc(s1)OC TS05467 [0,0,0,0,1,0|2,0,0]=3 1163 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|2,0,0]=4 1164 B7R0.3 CC=CCC(C)C=C TS31844 [1,0,1,0,0,0|0,0,2]=4 1165 B7R0.3 CCC=CC(=O)OC TS56262 [1,0,1,0,0,0|1,0,1]=4 1166 B7R0.3 COC(=O)C=CC=C TS31908 [1,0,1,0,0,0|1,0,0]=3 1167 B7R0.3 COC(=O)C=CC=O TS04424 [1,0,1,0,0,0|2,0,0]=4 1168 B7R0.3 COC=CC(=O)OC TS32188 [1,0,1,0,0,0|2,0,0]=4 1169 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,1,0,0,0|2,0,0]=4 1170 B7R0.6 CC(=CC=C(C)C)C TS47272 [1,0,1,0,0,0|0,0,2]=4 1171 B7R0.6 CC(=O)C=CC(=O)O TS32041 [1,0,1,0,0,0|2,0,0]=4 1172 B7R1.3 B=N1=CC=CC=C1 TS71871 [2,0,0,0,0,0|2,0,0]=4 1173 B7R1.3 CC1CC=CC=C1 TS03676 [2,0,0,0,0,0|0,0,2]=4 1174 B7R1.3 C[n+]1ccccc1 TS05508 [2,0,0,0,0,0|1,0,0]=3 1175 B7R1.3 C[n+]1ccccc1 TS45717 [2,0,0,0,0,0|1,0,0]=3 1176 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|0,0,0]=2 1177 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,0]=3 1178 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,0]=3 1179 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,0]=3 1180 B7R1.3 Cc1cccnn1 TS70675 [2,0,0,0,0,0|2,0,0]=4 1181 B7R1.3 Cc1ccncc1 TS02242 [2,0,0,0,0,0|1,0,0]=3 1182 B7R1.3 Cc1ccncn1 TS71236 [2,0,0,0,0,0|2,0,0]=4 1183 B7R1.3 Cc1ccnnc1 TS03181 [2,0,0,0,0,0|2,0,0]=4 1184 B7R1.3 Cc1cnccn1 TS02445 [2,0,0,0,0,0|2,0,0]=4 1185 B7R1.3 Cc1cncnc1 TS01164 [2,0,0,0,0,0|2,0,0]=4 1186 B7R1.3 Cc1ncccn1 TS59978 [2,0,0,0,0,0|2,0,0]=4 1187 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|1,0,0]=3 1188 B7R1.3 c1c(cncn1)O TS03344 [2,0,0,0,0,0|2,0,0]=4 1189 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 1190 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 1191 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 1192 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 1193 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|2,0,0]=4 1194 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|1,0,0]=3 1195 B7R1.3 c1cc(nnc1)O TS91073 [2,0,0,0,0,0|2,0,0]=4 1196 B7R1.3 c1cc[n+](cc1)F TS15405 [2,0,0,0,0,0|2,0,0]=4 1197 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|2,0,0]=4 1198 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|1,0,0]=3 1199 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|1,0,0]=3 1200 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|1,0,0]=3 1201 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|1,0,0]=3 1202 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|1,0,0]=3 1203 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|1,0,0]=3 1204 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|1,0,0]=3 1205 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|1,0,0]=3 1206 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|1,0,0]=3 1207 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|1,0,0]=3 1208 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|1,0,0]=3 1209 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|0,0,0]=2 1210 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|1,0,0]=3 1211 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|0,1,0]=3 1212 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|1,0,0]=3 1213 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|0,0,1]=3 1214 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|0,0,1]=3 1215 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|0,1,0]=3 1216 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|0,1,0]=3 1217 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|0,1,0]=3 1218 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|1,0,0]=3 1219 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|1,0,1]=4 1220 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 1221 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 1222 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 1223 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 1224 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|1,0,0]=3 1225 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|1,1,0]=4 1226 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 1227 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|1,0,1]=4 1228 B7R1.3 c1cnc(cn1)O TS55403 [2,0,0,0,0,0|2,0,0]=4 1229 B7R1.3 c1cnc(nc1)O TS13789 [2,0,0,0,0,0|2,0,0]=4 1230 B7R1.3 c1cnc(nc1)O TS55405 [2,0,0,0,0,0|2,0,0]=4 1231 B7R1.3 c1cnc(nc1)O TS55406 [2,0,0,0,0,0|2,0,0]=4 1232 B7R1.3 c1cnccc1Br TS57179 [2,0,0,0,0,0|2,0,0]=4 1233 B7R1.3 c1cnccc1Cl TS09693 [2,0,0,0,0,0|2,0,0]=4 1234 B7R1.3 c1cnccc1I TS09722 [2,0,0,0,0,0|2,0,0]=4 1235 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|2,0,0]=4 1236 B7R1.3 c1cnccc1O TS87252 [2,0,0,0,0,0|1,0,0]=3 1237 B7R1.3 c1cnccc1S TS31884 [2,0,0,0,0,0|1,1,0]=4 1238 B7R1.3 c1cncnc1O TS03137 [2,0,0,0,0,0|2,0,0]=4 1239 B7R1.3 c1cncnc1O TS15021 [2,0,0,0,0,0|2,0,0]=4 1240 B7R1.3 c1cncnc1O TS16881 [2,0,0,0,0,0|2,0,0]=4 1241 B7R1.3 c1cnncc1O TS03136 [2,0,0,0,0,0|2,0,0]=4 1242 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|1,0,1]=4 1243 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,1,0,0,0,0|1,0,1]=4 1244 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,1,0,0,0,0|1,0,1]=4 1245 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,1,0,0,0,0|1,0,1]=4 1246 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,1,0,0,0,0|1,0,1]=4 1247 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,1,0,0,0,0|1,0,1]=4 1248 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|1,0,1]=4 1249 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|1,0,1]=4 1250 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|1,0,1]=4 1251 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|1,0,1]=4 1252 B9R1.2 CC[n+]1cccc(c1)O TS38523 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.2 CCc1cccc(c1)Br TS32764 [1,1,0,0,0,0|1,0,0]=3 1255 B9R1.2 CCc1cccc(c1)C TS04835 [1,1,0,0,0,0|1,0,0]=3 1256 B9R1.2 CCc1cccc(c1)N TS32463 [1,1,0,0,0,0|1,0,0]=3 1257 B9R1.2 CCc1cccc(c1)O TS04895 [1,1,0,0,0,0|1,0,0]=3 1258 B9R1.2 CCc1cccc(n1)C TS32466 [1,1,0,0,0,0|2,0,0]=4 1259 B9R1.2 CCc1cccc(n1)N TS60098 [1,1,0,0,0,0|2,0,0]=4 1260 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.2 CCc1ccnc(c1)C TS32469 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.2 CCc1ccnc(c1)N TS71108 [1,1,0,0,0,0|2,0,0]=4 1263 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,1,0,0,0,0|2,0,0]=4 1264 B9R1.2 CNc1cccc(c1)Br TS48829 [1,1,0,0,0,0|1,0,0]=3 1265 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,1,0,0,0,0|1,0,0]=3 1266 B9R1.2 CNc1cccc(c1)F TS70598 [1,1,0,0,0,0|1,0,0]=3 1267 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,1,0,0,0,0|2,0,0]=4 1268 B9R1.2 COc1cc(=O)[nH]nc1 TS85110 [1,1,0,0,0,0|2,0,0]=4 1269 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,1,0,0,0,0|1,0,0]=3 1270 B9R1.2 COc1cc(ccn1)F TS05258 [1,1,0,0,0,0|1,0,0]=3 1271 B9R1.2 COc1cc(ccn1)I TS71184 [1,1,0,0,0,0|1,0,0]=3 1272 B9R1.2 COc1cc(ccn1)N TS02966 [1,1,0,0,0,0|1,0,0]=3 1273 B9R1.2 COc1cc(cnc1)Br TS65932 [1,1,0,0,0,0|1,0,0]=3 1274 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,1,0,0,0,0|1,0,0]=3 1275 B9R1.2 COc1cc(cnc1)I TS25666 [1,1,0,0,0,0|1,0,0]=3 1276 B9R1.2 COc1cc(cnc1)N TS55470 [1,1,0,0,0,0|1,0,0]=3 1277 B9R1.2 COc1cc(cnc1)N TS89352 [1,1,0,0,0,0|1,0,0]=3 1278 B9R1.2 COc1cc(cnc1)O TS55469 [1,1,0,0,0,0|1,0,0]=3 1279 B9R1.2 COc1cc(ncn1)Cl TS09662 [1,1,0,0,0,0|2,0,0]=4 1280 B9R1.2 COc1cc(ncn1)I TS71191 [1,1,0,0,0,0|2,0,0]=4 1281 B9R1.2 COc1cc(ncn1)N TS70903 [1,1,0,0,0,0|2,0,0]=4 1282 B9R1.2 COc1cc(nnc1)Cl TS89964 [1,1,0,0,0,0|2,0,0]=4 1283 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [1,1,0,0,0,0|1,0,0]=3 1284 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [1,1,0,0,0,0|1,0,0]=3 1285 B9R1.2 COc1cccc(c1)Br TS00028 [1,1,0,0,0,0|0,0,0]=2 1286 B9R1.2 COc1cccc(c1)Cl TS37686 [1,1,0,0,0,0|0,0,0]=2 1287 B9R1.2 COc1cccc(c1)F TS70591 [1,1,0,0,0,0|0,0,0]=2 1288 B9R1.2 COc1cccc(c1)I TS39445 [1,1,0,0,0,0|0,0,0]=2 1289 B9R1.2 COc1cccc(c1)N TS02081 [1,1,0,0,0,0|0,0,0]=2 1290 B9R1.2 COc1cccc(c1)N TS11191 [1,1,0,0,0,0|0,0,0]=2 1291 B9R1.2 COc1cccc(c1)O TS39714 [1,1,0,0,0,0|0,0,0]=2 1292 B9R1.2 COc1cccc(c1)S TS70650 [1,1,0,0,0,0|0,0,0]=2 1293 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,1,0,0,0,0|0,0,0]=2 1294 B9R1.2 COc1cccc(n1)Br TS08366 [1,1,0,0,0,0|1,0,0]=3 1295 B9R1.2 COc1cccc(n1)Cl TS55270 [1,1,0,0,0,0|1,0,0]=3 1296 B9R1.2 COc1cccc(n1)I TS56597 [1,1,0,0,0,0|1,0,0]=3 1297 B9R1.2 COc1cccc(n1)O TS05074 [1,1,0,0,0,0|1,0,0]=3 1298 B9R1.2 COc1ccnc(c1)Br TS08328 [1,1,0,0,0,0|1,0,0]=3 1299 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,1,0,0,0,0|1,0,0]=3 1300 B9R1.2 COc1ccnc(c1)N TS47406 [1,1,0,0,0,0|1,0,0]=3 1301 B9R1.2 COc1ccnc(n1)Cl TS55227 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.2 COc1ccnc(n1)I TS01070 [1,1,0,0,0,0|2,0,0]=4 1303 B9R1.2 COc1ccnc(n1)N TS47407 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.2 COc1cncc(n1)Cl TS90325 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.2 COc1nccc(n1)Cl TS40269 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.2 COc1nccc(n1)N TS90234 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|0,1,0]=3 1308 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|0,1,0]=3 1309 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|0,1,0]=3 1310 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|0,1,0]=3 1311 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|0,1,0]=3 1312 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,1,0,0,0,0|1,1,0]=4 1313 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,1,0,0,0,0|1,0,0]=3 1314 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,1,0,0,0,0|1,0,1]=4 1315 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,1,0,0,0,0|2,0,0]=4 1316 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|1,0,1]=4 1317 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.2 Cc1cccc(c1)CO TS04903 [1,1,0,0,0,0|2,0,0]=4 1321 B9R1.2 Cc1cccc(c1)CS TS06306 [1,1,0,0,0,0|2,0,0]=4 1322 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,1,0,0,0,0|2,0,0]=4 1323 B9R1.2 Cc1cccc(c1)NC TS32467 [1,1,0,0,0,0|1,0,0]=3 1324 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.2 Cc1cccc(c1)OC TS32509 [1,1,0,0,0,0|0,0,0]=2 1327 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.2 Cc1cccc(n1)OC TS00087 [1,1,0,0,0,0|1,0,0]=3 1330 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,1,0,0,0,0|1,0,0]=3 1331 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,1,0,0,0,0|1,0,1]=4 1332 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,1,0,0,0,0|2,0,0]=4 1335 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|2,0,0]=4 1337 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|2,0,0]=4 1338 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,1,0,0,0,0|2,0,0]=4 1339 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,1,0,0,0,0|2,0,0]=4 1340 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|2,0,0]=4 1341 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,1,0,0,0,0|2,0,0]=4 1342 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|2,0,0]=4 1343 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,1,0,0,0,0|2,0,0]=4 1344 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|2,0,0]=4 1346 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,1,0,0,0,0|2,0,0]=4 1347 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,1,0,0,0,0|2,0,0]=4 1348 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,1,0,0,0,0|2,0,0]=4 1349 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|2,0,0]=4 1350 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|2,0,0]=4 1353 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,1,0,0,0,0|2,0,0]=4 1354 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,1,0,0,0,0|2,0,0]=4 1355 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,1,0,0,0,0|2,0,0]=4 1356 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|2,0,0]=4 1357 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,1,0,0,0,0|2,0,0]=4 1358 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|2,0,0]=4 1359 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|2,0,0]=4 1360 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|2,0,0]=4 1363 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|2,0,0]=4 1364 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|2,0,0]=4 1365 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,1,0,0,0,0|2,0,0]=4 1366 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,1,0,0,0,0|2,0,0]=4 1367 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,1,0,0,0,0|2,0,0]=4 1369 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,1,0,0,0,0|2,0,0]=4 1370 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,1,0,0,0,0|2,0,0]=4 1371 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,1,0,0,0,0|2,0,0]=4 1372 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,1,0,0,0,0|2,0,0]=4 1373 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,1,0,0,0,0|2,0,0]=4 1375 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,1,0,0,0,0|1,0,1]=4 1376 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,1,0,0,0,0|1,0,1]=4 1377 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,1,0,0,0,0|1,0,0]=3 1378 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,1,0,0,0,0|1,0,0]=3 1379 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,1,0,0,0,0|1,0,0]=3 1380 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,1,0,0,0,0|1,0,0]=3 1381 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,1,0,0,0,0|1,0,0]=3 1382 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,1,0,0,0,0|2,0,0]=4 1383 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,1,0,0,0,0|2,0,0]=4 1384 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,1,0,0,0,0|2,0,0]=4 1385 B9R1.6 CC(C)c1ccccn1 TS32479 [1,1,0,0,0,0|2,0,0]=4 1386 B9R1.6 CC(C)c1ccccn1 TS49188 [1,1,0,0,0,0|2,0,0]=4 1387 B9R1.6 CC(C)c1ccncc1 TS09132 [1,1,0,0,0,0|2,0,0]=4 1388 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,1,0,0,0,0|1,0,0]=3 1389 B9R1.6 CC(c1ccccc1)N TS55879 [1,1,0,0,0,0|1,0,0]=3 1390 B9R1.6 CC(c1ccccc1)O TS04908 [1,1,0,0,0,0|1,0,0]=3 1391 B9R1.6 CC(c1ccccn1)N TS47025 [1,1,0,0,0,0|2,0,0]=4 1392 B9R1.6 CC(c1ccccn1)N TS59503 [1,1,0,0,0,0|2,0,0]=4 1393 B9R1.6 CC(c1ccccn1)O TS08930 [1,1,0,0,0,0|2,0,0]=4 1394 B9R1.6 CC(c1cccnc1)N TS59573 [1,1,0,0,0,0|2,0,0]=4 1395 B9R1.6 CC(c1ccncc1)N TS51965 [1,1,0,0,0,0|2,0,0]=4 1396 B9R1.6 CC(c1ccncc1)N TS59574 [1,1,0,0,0,0|2,0,0]=4 1397 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,1,0,0,0,0|2,0,0]=4 1398 B9R1.6 CN(C)c1ccccc1 TS56353 [1,1,0,0,0,0|1,0,0]=3 1399 B9R1.6 CN(C)c1ccccn1 TS04916 [1,1,0,0,0,0|2,0,0]=4 1400 B9R1.6 CN(C)c1cccnc1 TS32521 [1,1,0,0,0,0|2,0,0]=4 1401 B9R1.6 CN(C)c1ccncc1 TS71094 [1,1,0,0,0,0|2,0,0]=4 1402 B9R1.6 CN(C)c1ccncc1 TS79663 [1,1,0,0,0,0|2,0,0]=4 1403 B9R1.6 CN(C)c1ccncc1 TS93097 [1,1,0,0,0,0|2,0,0]=4 1404 B9R1.6 CN(c1ccccc1)N TS46980 [1,1,0,0,0,0|1,0,0]=3 1405 B9R1.6 CP(C)c1ccccc1 TS37178 [1,1,0,0,0,0|1,0,0]=3 1406 B9R1.6 CP(C)c1ccccc1 TS75399 [1,1,0,0,0,0|1,0,0]=3 1407 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,1,0,0,0,0|1,0,0]=3 1408 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,1,0,0,0,0|1,0,0]=3 1409 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,1,0,0,0,0|2,0,0]=4 1410 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,1,0,0,0,0|2,0,0]=4 1411 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,1,0,0,0,0|2,0,0]=4 1412 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,1,0,0,0,0|1,0,0]=3 1413 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,1,0,0,0,0|1,0,0]=3 1414 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,1,0,0,0,0|1,0,0]=3 1415 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,1,0,0,0,0|2,0,0]=4 1416 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,1,0,0,0,0|2,0,0]=4 1417 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,1,0,0,0,0|2,0,0]=4 1418 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,1,0,0,0,0|1,0,0]=3 1419 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,1,0,0,0,0|2,0,0]=4 1420 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,1,0,0,0,0|2,0,0]=4 1421 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,1,0,0,0,0|2,0,0]=4 1422 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,1,0,0,0,0|2,0,0]=4 1423 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,1,0,0,0,0|2,0,0]=4 1424 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,1,0,0,0,0|2,0,0]=4 1425 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,1,0,0,0,0|2,0,0]=4 1426 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,1,0,0,0,0|2,0,0]=4 1427 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,1,0,0,0,0|2,0,0]=4 1428 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,1,0,0,0,0|2,0,0]=4 1429 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,1,0,0,0,0|2,0,0]=4 1430 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,1,0,0,0,0|2,0,0]=4 1431 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,1,0,0,0,0|2,0,0]=4 1432 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,1,0,0,0,0|2,0,0]=4 1434 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,1,0,0,0,0|2,0,0]=4 1435 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,1,0,0,0,0|2,0,0]=4 1436 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,1,0,0,0,0|2,0,0]=4 1438 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,1,0,0,0,0|2,0,0]=4 1439 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,1,0,0,0,0|2,0,0]=4 1440 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,1,0,0,0,0|2,0,0]=4 1441 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,1,0,0,0,0|2,0,0]=4 1442 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,1,0,0,0,0|2,0,0]=4 1443 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,1,0,0,0,0|2,0,0]=4 1444 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,1,0,0,0,0|2,0,0]=4 1445 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,1,0,0,0,0|1,1,0]=4 1446 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,1,0,0,0,0|1,1,0]=4 1447 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,1,0,0,0,0|1,1,0]=4 1448 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,1,0,0,0,0|2,0,0]=4 1449 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,1,0,0,0,0|2,0,0]=4 1450 B9R1.8 C#CCc1ccccc1 TS32230 [1,1,0,0,0,0|1,0,1]=4 1451 B9R1.8 C=CCc1ccccc1 TS32347 [1,1,0,0,0,0|1,0,1]=4 1452 B9R1.8 C=CSc1ccccc1 TS06113 [1,1,0,0,0,0|0,1,1]=4 1453 B9R1.8 CC#Cc1ccccc1 TS04599 [1,1,0,0,0,0|1,0,0]=3 1454 B9R1.8 CC=Cc1ccccc1 TS32346 [1,1,0,0,0,0|1,0,0]=3 1455 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,1,0,0,0,0|2,0,0]=4 1456 B9R1.8 CCCc1ccccc1 TS04832 [1,1,0,0,0,0|1,0,0]=3 1457 B9R1.8 CCCc1ccccn1 TS85359 [1,1,0,0,0,0|2,0,0]=4 1458 B9R1.8 CCNc1ccccc1 TS04869 [1,1,0,0,0,0|1,0,0]=3 1459 B9R1.8 CCOc1ccccc1 TS04896 [1,1,0,0,0,0|0,0,0]=2 1460 B9R1.8 CCOc1ccccn1 TS55309 [1,1,0,0,0,0|1,0,0]=3 1461 B9R1.8 CCOc1ccncc1 TS04974 [1,1,0,0,0,0|1,0,0]=3 1462 B9R1.8 CCOc1cnccn1 TS05010 [1,1,0,0,0,0|2,0,0]=4 1463 B9R1.8 CCSc1ccccc1 TS06299 [1,1,0,0,0,0|0,1,0]=3 1464 B9R1.8 CNCc1ccccc1 TS01938 [1,1,0,0,0,0|1,0,0]=3 1465 B9R1.8 CNCc1ccccn1 TS51966 [1,1,0,0,0,0|2,0,0]=4 1466 B9R1.8 CNCc1cccnc1 TS02609 [1,1,0,0,0,0|2,0,0]=4 1467 B9R1.8 CNCc1ccncc1 TS65238 [1,1,0,0,0,0|2,0,0]=4 1468 B9R1.8 CNNc1ccccc1 TS85406 [1,1,0,0,0,0|1,0,0]=3 1469 B9R1.8 COCc1ccccc1 TS04897 [1,1,0,0,0,0|0,0,0]=2 1470 B9R1.8 COCc1ccccn1 TS00518 [1,1,0,0,0,0|1,0,0]=3 1471 B9R1.8 CSCc1ccccc1 TS06309 [1,1,0,0,0,0|0,1,0]=3 1472 B9R1.8 CSSc1ccccc1 TS41708 [1,1,0,0,0,0|0,1,0]=3 1473 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,1,0,0,0,0|1,0,1]=4 1474 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,1,0,0,0,0|1,0,1]=4 1475 B9R1.8 c1cc(cnc1)CCN TS41995 [1,1,0,0,0,0|2,0,0]=4 1476 B9R1.8 c1cc(cnc1)CCN TS65667 [1,1,0,0,0,0|2,0,0]=4 1477 B9R1.8 c1cc(cnc1)CCO TS39614 [1,1,0,0,0,0|2,0,0]=4 1478 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,1,0,0,0,0|1,0,1]=4 1479 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,1,0,0,0,0|1,0,1]=4 1480 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,1,0,0,0,0|1,0,1]=4 1481 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,1,0,0,0,0|1,0,1]=4 1482 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,1,0,0,0,0|2,0,0]=4 1483 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,1,0,0,0,0|2,0,0]=4 1484 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,1,0,0,0,0|1,0,1]=4 1485 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,1,0,0,0,0|1,0,0]=3 1486 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,1,0,0,0,0|1,0,0]=3 1487 B9R1.8 c1ccc(cc1)CCI TS25156 [1,1,0,0,0,0|1,0,0]=3 1488 B9R1.8 c1ccc(cc1)CCN TS22602 [1,1,0,0,0,0|1,0,0]=3 1489 B9R1.8 c1ccc(cc1)CCN TS65627 [1,1,0,0,0,0|1,0,0]=3 1490 B9R1.8 c1ccc(cc1)CCO TS04901 [1,1,0,0,0,0|1,0,0]=3 1491 B9R1.8 c1ccc(cc1)CCS TS06307 [1,1,0,0,0,0|1,0,0]=3 1492 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,1,0,0,0,0|1,0,0]=3 1493 B9R1.8 c1ccc(cc1)CNN TS09177 [1,1,0,0,0,0|2,0,0]=4 1494 B9R1.8 c1ccc(cc1)CNN TS21284 [1,1,0,0,0,0|2,0,0]=4 1495 B9R1.8 c1ccc(cc1)CNO TS01934 [1,1,0,0,0,0|2,0,0]=4 1496 B9R1.8 c1ccc(cc1)CNO TS93618 [1,1,0,0,0,0|2,0,0]=4 1497 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,1,0,0,0,0|2,0,0]=4 1498 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,1,0,0,0,0|2,0,0]=4 1499 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,1,0,0,0,0|1,0,1]=4 1500 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,1,0,0,0,0|1,0,1]=4 1501 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,1,0,0,0,0|2,0,0]=4 1502 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,1,0,0,0,0|1,0,1]=4 1503 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,1,0,0,0,0|0,0,1]=3 1504 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,1,0,0,0,0|0,0,1]=3 1505 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,1,0,0,0,0|0,1,0]=3 1506 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,1,0,0,0,0|0,1,1]=4 1507 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,1,0,0,0,0|1,0,0]=3 1508 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,1,0,0,0,0|2,0,0]=4 1509 B9R1.8 c1ccnc(c1)CCN TS04914 [1,1,0,0,0,0|2,0,0]=4 1510 B9R1.8 c1ccnc(c1)CCN TS17997 [1,1,0,0,0,0|2,0,0]=4 1511 B9R1.8 c1ccnc(c1)CCO TS04967 [1,1,0,0,0,0|2,0,0]=4 1512 B9R1.8 c1cnccc1CCN TS09522 [1,1,0,0,0,0|2,0,0]=4 1513 B9R1.8 c1cnccc1CCO TS70737 [1,1,0,0,0,0|2,0,0]=4 1514 B9R1.8 c1cnccc1CCS TS06395 [1,1,0,0,0,0|2,0,0]=4 1515 B9R1.8 c1cnccc1CCS TS46022 [1,1,0,0,0,0|2,0,0]=4 1516 B9R1.15 C#Cc1ccccc1Br TS48023 [1,1,0,0,0,0|1,0,1]=4 1517 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,1,0,0,0,0|1,0,1]=4 1518 B9R1.15 C#Cc1ccccc1F TS77181 [1,1,0,0,0,0|1,0,1]=4 1519 B9R1.15 C#Cc1ccccc1O TS55318 [1,1,0,0,0,0|1,0,1]=4 1520 B9R1.15 C=Cc1ccccc1Br TS55173 [1,1,0,0,0,0|1,0,1]=4 1521 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,1,0,0,0,0|1,0,1]=4 1522 B9R1.15 C=Cc1ccccc1F TS32504 [1,1,0,0,0,0|1,0,1]=4 1523 B9R1.15 C=Cc1ccccc1I TS24807 [1,1,0,0,0,0|1,0,1]=4 1524 B9R1.15 CC[n+]1ccccc1Br TS33546 [1,1,0,0,0,0|2,0,0]=4 1525 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [1,1,0,0,0,0|2,0,0]=4 1526 B9R1.15 CCc1ccccc1Br TS15420 [1,1,0,0,0,0|1,0,0]=3 1527 B9R1.15 CCc1ccccc1C TS16337 [1,1,0,0,0,0|1,0,0]=3 1528 B9R1.15 CCc1ccccc1Cl TS37450 [1,1,0,0,0,0|1,0,0]=3 1529 B9R1.15 CCc1ccccc1I TS25157 [1,1,0,0,0,0|1,0,0]=3 1530 B9R1.15 CCc1ccccc1N TS32474 [1,1,0,0,0,0|1,0,0]=3 1531 B9R1.15 CCc1ccccc1O TS04900 [1,1,0,0,0,0|1,0,0]=3 1532 B9R1.15 CCc1ccccc1S TS06304 [1,1,0,0,0,0|1,0,0]=3 1533 B9R1.15 CCc1cccnc1C TS32475 [1,1,0,0,0,0|2,0,0]=4 1534 B9R1.15 CCc1ccncc1C TS32464 [1,1,0,0,0,0|2,0,0]=4 1535 B9R1.15 CCc1cnccc1Br TS92322 [1,1,0,0,0,0|2,0,0]=4 1536 B9R1.15 CCc1cnccc1C TS32480 [1,1,0,0,0,0|2,0,0]=4 1537 B9R1.15 CNc1c(cccn1)Br TS49024 [1,1,0,0,0,0|2,0,0]=4 1538 B9R1.15 CNc1c(cccn1)Cl TS44725 [1,1,0,0,0,0|2,0,0]=4 1539 B9R1.15 CNc1ccccc1Cl TS37531 [1,1,0,0,0,0|1,0,0]=3 1540 B9R1.15 CNc1ccccc1F TS56413 [1,1,0,0,0,0|1,0,0]=3 1541 B9R1.15 CNc1ccccc1N TS01587 [1,1,0,0,0,0|1,0,0]=3 1542 B9R1.15 CNc1ccccc1N TS41998 [1,1,0,0,0,0|1,0,0]=3 1543 B9R1.15 CNc1ccccc1N TS60152 [1,1,0,0,0,0|1,0,0]=3 1544 B9R1.15 CNc1ccccc1O TS04968 [1,1,0,0,0,0|1,0,0]=3 1545 B9R1.15 CNc1cccnc1Br TS49018 [1,1,0,0,0,0|2,0,0]=4 1546 B9R1.15 CNc1cccnc1Cl TS06799 [1,1,0,0,0,0|2,0,0]=4 1547 B9R1.15 CNc1cccnc1Cl TS46508 [1,1,0,0,0,0|2,0,0]=4 1548 B9R1.15 CNc1ccncc1N TS32563 [1,1,0,0,0,0|2,0,0]=4 1549 B9R1.15 COc1c(cccn1)Br TS65905 [1,1,0,0,0,0|1,0,0]=3 1550 B9R1.15 COc1c(cccn1)Cl TS65976 [1,1,0,0,0,0|1,0,0]=3 1551 B9R1.15 COc1c(cccn1)F TS36212 [1,1,0,0,0,0|1,0,0]=3 1552 B9R1.15 COc1c(cccn1)I TS02808 [1,1,0,0,0,0|1,0,0]=3 1553 B9R1.15 COc1c(cccn1)N TS02635 [1,1,0,0,0,0|1,0,0]=3 1554 B9R1.15 COc1c(nccn1)Cl TS55197 [1,1,0,0,0,0|2,0,0]=4 1555 B9R1.15 COc1c(nccn1)N TS47372 [1,1,0,0,0,0|2,0,0]=4 1556 B9R1.15 COc1ccccc1Br TS00023 [1,1,0,0,0,0|0,0,0]=2 1557 B9R1.15 COc1ccccc1Cl TS37688 [1,1,0,0,0,0|0,0,0]=2 1558 B9R1.15 COc1ccccc1F TS60288 [1,1,0,0,0,0|0,0,0]=2 1559 B9R1.15 COc1ccccc1I TS09308 [1,1,0,0,0,0|0,0,0]=2 1560 B9R1.15 COc1ccccc1N TS29238 [1,1,0,0,0,0|0,0,0]=2 1561 B9R1.15 COc1ccccc1N TS59329 [1,1,0,0,0,0|0,0,0]=2 1562 B9R1.15 COc1ccccc1P TS06425 [1,1,0,0,0,0|0,0,0]=2 1563 B9R1.15 COc1ccccc1S TS37393 [1,1,0,0,0,0|0,0,0]=2 1564 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,1,0,0,0,0|0,0,0]=2 1565 B9R1.15 COc1cccnc1Br TS08305 [1,1,0,0,0,0|1,0,0]=3 1566 B9R1.15 COc1cccnc1Cl TS55198 [1,1,0,0,0,0|1,0,0]=3 1567 B9R1.15 COc1cccnc1I TS25665 [1,1,0,0,0,0|1,0,0]=3 1568 B9R1.15 COc1cccnc1N TS47373 [1,1,0,0,0,0|1,0,0]=3 1569 B9R1.15 COc1cccnc1O TS55383 [1,1,0,0,0,0|1,0,0]=3 1570 B9R1.15 COc1ccncc1Br TS09454 [1,1,0,0,0,0|1,0,0]=3 1571 B9R1.15 COc1ccncc1I TS02810 [1,1,0,0,0,0|1,0,0]=3 1572 B9R1.15 COc1ccncc1N TS65861 [1,1,0,0,0,0|1,0,0]=3 1573 B9R1.15 CSc1ccccc1Br TS19526 [1,1,0,0,0,0|0,1,0]=3 1574 B9R1.15 CSc1ccccc1Cl TS42002 [1,1,0,0,0,0|0,1,0]=3 1575 B9R1.15 CSc1ccccc1F TS06689 [1,1,0,0,0,0|0,1,0]=3 1576 B9R1.15 CSc1ccccc1I TS27990 [1,1,0,0,0,0|0,1,0]=3 1577 B9R1.15 CSc1ccccc1O TS37395 [1,1,0,0,0,0|0,1,0]=3 1578 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,1,0,0,0,0|0,1,0]=3 1579 B9R1.15 Cc1c(cccn1)OC TS04964 [1,1,0,0,0,0|1,0,0]=3 1580 B9R1.15 Cc1c(nccn1)OC TS55427 [1,1,0,0,0,0|2,0,0]=4 1581 B9R1.15 Cc1ccccc1C#C TS02442 [1,1,0,0,0,0|1,0,1]=4 1582 B9R1.15 Cc1ccccc1C#N TS04680 [1,1,0,0,0,0|2,0,0]=4 1583 B9R1.15 Cc1ccccc1C=C TS02453 [1,1,0,0,0,0|1,0,1]=4 1584 B9R1.15 Cc1ccccc1C=O TS04808 [1,1,0,0,0,0|2,0,0]=4 1585 B9R1.15 Cc1ccccc1CBr TS01133 [1,1,0,0,0,0|2,0,0]=4 1586 B9R1.15 Cc1ccccc1CCl TS37456 [1,1,0,0,0,0|2,0,0]=4 1587 B9R1.15 Cc1ccccc1CN TS04867 [1,1,0,0,0,0|2,0,0]=4 1588 B9R1.15 Cc1ccccc1CO TS04907 [1,1,0,0,0,0|2,0,0]=4 1589 B9R1.15 Cc1ccccc1CS TS06308 [1,1,0,0,0,0|2,0,0]=4 1590 B9R1.15 Cc1ccccc1NC TS32471 [1,1,0,0,0,0|1,0,0]=3 1591 B9R1.15 Cc1ccccc1NN TS60156 [1,1,0,0,0,0|2,0,0]=4 1592 B9R1.15 Cc1ccccc1OC TS32508 [1,1,0,0,0,0|0,0,0]=2 1593 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,1,0,0,0,0|2,0,0]=4 1594 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,1,0,0,0,0|2,0,0]=4 1595 B9R1.15 Cc1cccnc1OC TS04965 [1,1,0,0,0,0|1,0,0]=3 1596 B9R1.15 Cc1ccncc1NC TS04920 [1,1,0,0,0,0|2,0,0]=4 1597 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,1,0,0,0,0|1,0,1]=4 1598 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,1,0,0,0,0|1,0,1]=4 1599 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,1,0,0,0,0|2,0,0]=4 1600 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,1,0,0,0,0|2,0,0]=4 1601 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,1,0,0,0,0|2,0,0]=4 1602 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,1,0,0,0,0|2,0,0]=4 1603 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,1,0,0,0,0|2,0,0]=4 1604 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,1,0,0,0,0|2,0,0]=4 1605 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,1,0,0,0,0|2,0,0]=4 1606 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,1,0,0,0,0|2,0,0]=4 1607 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,1,0,0,0,0|2,0,0]=4 1608 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,1,0,0,0,0|2,0,0]=4 1609 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,1,0,0,0,0|2,0,0]=4 1610 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,1,0,0,0,0|2,0,0]=4 1611 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,1,0,0,0,0|2,0,0]=4 1612 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,1,0,0,0,0|2,0,0]=4 1613 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,1,0,0,0,0|2,0,0]=4 1614 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,1,0,0,0,0|2,0,0]=4 1615 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,1,0,0,0,0|2,0,0]=4 1616 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,1,0,0,0,0|2,0,0]=4 1617 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,1,0,0,0,0|2,0,0]=4 1618 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,1,0,0,0,0|2,0,0]=4 1619 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,1,0,0,0,0|2,0,0]=4 1620 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,1,0,0,0,0|2,0,0]=4 1621 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,1,0,0,0,0|2,0,0]=4 1622 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,1,0,0,0,0|2,0,0]=4 1623 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,1,0,0,0,0|2,0,0]=4 1624 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,1,0,0,0,0|2,0,0]=4 1625 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,1,0,0,0,0|2,0,0]=4 1626 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,1,0,0,0,0|2,0,0]=4 1627 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,1,0,0,0,0|2,0,0]=4 1628 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,1,0,0,0,0|2,0,0]=4 1629 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,1,0,0,0,0|2,0,0]=4 1630 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,1,0,0,0,0|2,0,0]=4 1631 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,1,0,0,0,0|2,0,0]=4 1632 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,1,0,0,0,0|2,0,0]=4 1633 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,1,0,0,0,0|2,0,0]=4 1634 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,1,0,0,0,0|2,0,0]=4 1635 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,1,0,0,0,0|2,0,0]=4 1636 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,1,0,0,0,0|2,0,0]=4 1637 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,1,0,0,0,0|2,0,0]=4 1638 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,1,0,0,0,0|2,0,0]=4 1639 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,1,0,0,0,0|2,0,0]=4 1640 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,1,0,0,0,0|2,0,0]=4 1641 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,1,0,0,0,0|2,0,0]=4 1642 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,1,0,0,0,0|2,0,0]=4 1643 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,1,0,0,0,0|1,0,1]=4 1644 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,1,0,0,0,0|1,0,1]=4 1645 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,1,0,0,0,0|1,0,1]=4 1646 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [1,1,0,0,0,0|2,0,0]=4 1647 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [1,1,0,0,0,0|2,0,0]=4 1648 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [1,1,0,0,0,0|2,0,0]=4 1649 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [1,1,0,0,0,0|2,0,0]=4 1650 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [1,1,0,0,0,0|2,0,0]=4 1651 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [1,1,0,0,0,0|2,0,0]=4 1652 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,1,0,0,0,0|2,0,0]=4 1653 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,1,0,0,0,0|2,0,0]=4 1654 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [1,1,0,0,0,0|2,0,0]=4 1655 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [1,1,0,0,0,0|2,0,0]=4 1656 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [1,1,0,0,0,0|2,0,0]=4 1657 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [1,1,0,0,0,0|2,0,0]=4 1658 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [1,1,0,0,0,0|2,0,0]=4 1659 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [1,1,0,0,0,0|2,0,0]=4 1660 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [1,1,0,0,0,0|2,0,0]=4 1661 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [1,1,0,0,0,0|2,0,0]=4 1662 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [1,1,0,0,0,0|2,0,0]=4 1663 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [1,1,0,0,0,0|2,0,0]=4 1664 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [1,1,0,0,0,0|2,0,0]=4 1665 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,1,0,0,0,0|1,0,0]=3 1666 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,1,0,0,0,0|1,0,0]=3 1667 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [1,1,0,0,0,0|2,0,0]=4 1668 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [1,1,0,0,0,0|2,0,0]=4 1669 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [1,1,0,0,0,0|2,0,0]=4 1670 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [1,1,0,0,0,0|2,0,0]=4 1671 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [1,1,0,0,0,0|2,0,0]=4 1672 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [1,1,0,0,0,0|2,0,0]=4 1673 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [1,1,0,0,0,0|2,0,0]=4 1674 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [1,1,0,0,0,0|2,0,0]=4 1675 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,1,0,0,0,0|1,0,0]=3 1676 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,1,0,0,0,0|1,0,0]=3 1677 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,1,0,0,0,0|2,0,0]=4 1678 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,1,0,0,0,0|2,0,0]=4 1679 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,1,0,0,0,0|2,0,0]=4 1680 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,1,0,0,0,0|2,0,0]=4 1681 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,1,0,0,0,0|2,0,0]=4 1682 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,1,0,0,0,0|1,0,0]=3 1683 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,1,0,0,0,0|2,0,0]=4 1684 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,1,0,0,0,0|2,0,0]=4 1685 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,1,0,0,0,0|2,0,0]=4 1686 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,1,0,0,0,0|2,0,0]=4 1687 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,1,0,0,0,0|2,0,0]=4 1688 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,1,0,0,0,0|1,0,0]=3 1689 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,1,0,0,0,0|2,0,0]=4 1690 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,1,0,0,0,0|2,0,0]=4 1691 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,1,0,0,0,0|2,0,0]=4 1692 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,1,0,0,0,0|2,0,0]=4 1693 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,1,0,0,0,0|2,0,0]=4 1694 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,1,0,0,0,0|1,0,0]=3 1695 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,1,0,0,0,0|1,1,0]=4 1696 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,1,0,0,0,0|2,0,0]=4 1697 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,1,0,0,0,0|2,0,0]=4 1698 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,1,0,0,0,0|2,0,0]=4 1699 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,1,0,0,0,0|2,0,0]=4 1700 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,1,0,0,0,0|2,0,0]=4 1701 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,1,0,0,0,0|2,0,0]=4 1702 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,1,0,0,0,0|2,0,0]=4 1703 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,1,0,0,0,0|2,0,0]=4 1704 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,1,0,0,0,0|2,0,0]=4 1705 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,1,0,0,0,0|2,0,0]=4 1706 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,1,0,0,0,0|2,0,0]=4 1707 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,1,0,0,0,0|2,0,0]=4 1708 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,1,0,0,0,0|1,0,0]=3 1709 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,1,0,0,0,0|1,0,0]=3 1710 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,1,0,0,0,0|1,0,0]=3 1711 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,1,0,0,0,0|1,0,0]=3 1712 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,1,0,0,0,0|1,0,0]=3 1713 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,1,0,0,0,0|1,0,0]=3 1714 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,1,0,0,0,0|1,0,0]=3 1715 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,1,0,0,0,0|1,0,0]=3 1716 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,1,0,0,0,0|2,0,0]=4 1717 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,1,0,0,0,0|2,0,0]=4 1718 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,1,0,0,0,0|2,0,0]=4 1719 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,1,0,0,0,0|2,0,0]=4 1720 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,1,0,0,0,0|2,0,0]=4 1721 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,1,0,0,0,0|2,0,0]=4 1722 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,1,0,0,0,0|2,0,0]=4 1723 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [1,1,0,0,0,0|1,0,1]=4 1724 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,1,0,0,0,0|1,0,0]=3 1725 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,1,0,0,0,0|0,0,0]=2 1726 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,1,0,0,0,0|1,0,0]=3 1727 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,1,0,0,0,0|1,0,0]=3 1728 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,1,0,0,0,0|1,0,0]=3 1729 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,1,0,0,0,0|1,0,0]=3 1730 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,1,0,0,0,0|0,0,0]=2 1731 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,1,0,0,0,0|0,1,0]=3 1732 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,1,0,0,0,0|1,0,0]=3 1733 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,1,0,0,0,0|0,0,0]=2 1734 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,1,0,0,0,0|1,0,0]=3 1735 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,1,0,0,0,0|1,0,0]=3 1736 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,1,0,0,0,0|1,0,0]=3 1737 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,1,0,0,0,0|1,0,0]=3 1738 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,1,0,0,0,0|1,0,0]=3 1739 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,1,0,0,0,0|0,0,0]=2 1740 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,1,0,0,0,0|0,1,0]=3 1741 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,1,0,0,0,0|0,1,0]=3 1742 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,1,0,0,0,0|1,0,0]=3 1743 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,1,0,0,0,0|0,0,0]=2 1744 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,1,0,0,0,0|1,0,0]=3 1745 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,1,0,0,0,0|1,0,0]=3 1746 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,1,0,0,0,0|1,0,0]=3 1747 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,1,0,0,0,0|1,0,0]=3 1748 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,1,0,0,0,0|0,0,0]=2 1749 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,1,0,0,0,0|1,0,0]=3 1750 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,1,0,0,0,0|0,0,0]=2 1751 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,1,0,0,0,0|1,0,0]=3 1752 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,1,0,0,0,0|1,0,0]=3 1753 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,1,0,0,0,0|1,0,0]=3 1754 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,1,0,0,0,0|1,0,0]=3 1755 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,1,0,0,0,0|0,0,0]=2 1756 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,1,0,0,0,0|1,0,0]=3 1757 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,1,0,0,0,0|1,0,0]=3 1758 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,1,0,0,0,0|1,0,0]=3 1759 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,1,0,0,0,0|1,0,0]=3 1760 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,1,0,0,0,0|0,0,0]=2 1761 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,1,0,0,0,0|1,0,0]=3 1762 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,1,0,0,0,0|1,0,0]=3 1763 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,1,0,0,0,0|1,0,0]=3 1764 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,1,0,0,0,0|1,0,0]=3 1765 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,1,0,0,0,0|0,0,0]=2 1766 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,1,0,0,0,0|0,0,0]=2 1767 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,1,0,0,0,0|0,0,0]=2 1768 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,1,0,0,0,0|1,0,0]=3 1769 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,1,0,0,0,0|1,0,0]=3 1770 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,1,0,0,0,0|1,0,0]=3 1771 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,1,0,0,0,0|0,0,0]=2 1772 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,1,0,0,0,0|0,0,0]=2 1773 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,1,0,0,0,0|0,1,0]=3 1774 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,1,0,0,0,0|0,1,0]=3 1775 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,1,0,0,0,0|0,1,0]=3 1776 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,1,0,0,0,0|0,0,0]=2 1777 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [1,1,0,0,0,0|2,0,0]=4 1778 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [1,1,0,0,0,0|2,0,0]=4 1779 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [1,1,0,0,0,0|2,0,0]=4 1780 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,1,0,0,0,0|1,0,0]=3 1781 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,1,0,0,0,0|2,0,0]=4 1782 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,1,0,0,0,0|2,0,0]=4 1783 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,1,0,0,0,0|1,0,0]=3 1784 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [1,1,0,0,0,0|2,0,0]=4 1785 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [1,1,0,0,0,0|2,0,0]=4 1786 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [1,1,0,0,0,0|2,0,0]=4 1787 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [1,1,0,0,0,0|2,0,0]=4 1788 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,1,0,0,0,0|1,0,0]=3 1789 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [1,1,0,0,0,0|2,0,0]=4 1790 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [1,1,0,0,0,0|2,0,0]=4 1791 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [1,1,0,0,0,0|2,0,0]=4 1792 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,1,0,0,0,0|1,0,0]=3 1793 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,1,0,0,0,0|1,0,0]=3 1794 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [1,1,0,0,0,0|2,0,0]=4 1795 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [1,1,0,0,0,0|2,0,0]=4 1796 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [1,1,0,0,0,0|2,0,0]=4 1797 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,1,0,0,0,0|1,0,0]=3 1798 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [1,1,0,0,0,0|2,0,0]=4 1799 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,1,0,0,0,0|1,0,0]=3 1800 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,1,0,0,0,0|1,0,0]=3 1801 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,1,0,0,0,0|1,0,0]=3 1802 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,1,0,0,0,0|1,0,0]=3 1803 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,1,0,0,0,0|1,0,0]=3 1804 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,1,0,0,0,0|1,0,0]=3 1805 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,1,0,0,0,0|1,0,0]=3 1806 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,1,0,0,0,0|1,0,0]=3 1807 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,1,0,0,0,0|1,0,0]=3 1808 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,1,0,0,0,0|0,0,0]=2 1809 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,1,0,0,0,0|0,1,0]=3 1810 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,1,0,0,0,0|1,0,0]=3 1811 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,1,0,0,0,0|1,0,0]=3 1812 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,1,0,0,0,0|1,0,0]=3 1813 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,1,0,0,0,0|1,0,0]=3 1814 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,1,0,0,0,0|0,0,0]=2 1815 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,1,0,0,0,0|1,0,0]=3 1816 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,1,0,0,0,0|1,0,0]=3 1817 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,1,0,0,0,0|1,0,0]=3 1818 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,1,0,0,0,0|1,0,0]=3 1819 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,1,0,0,0,0|1,0,0]=3 1820 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,1,0,0,0,0|0,0,0]=2 1821 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,1,0,0,0,0|0,1,0]=3 1822 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,1,0,0,0,0|1,0,0]=3 1823 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,1,0,0,0,0|1,0,0]=3 1824 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,1,0,0,0,0|1,0,0]=3 1825 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,1,0,0,0,0|1,0,0]=3 1826 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,1,0,0,0,0|1,0,0]=3 1827 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,1,0,0,0,0|1,0,0]=3 1828 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,1,0,0,0,0|1,0,0]=3 1829 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,1,0,0,0,0|1,0,0]=3 1830 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,1,0,0,0,0|1,0,0]=3 1831 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,1,0,0,0,0|1,0,0]=3 1832 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,1,0,0,0,0|0,0,0]=2 1833 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,1,0,0,0,0|1,0,0]=3 1834 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,1,0,0,0,0|1,0,0]=3 1835 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,1,0,0,0,0|1,0,0]=3 1836 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,1,0,0,0,0|0,0,0]=2 1837 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,1,0,0,0,0|1,0,0]=3 1838 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,1,0,0,0,0|1,0,0]=3 1839 B9R1.69 Cc1ccc(cn1=O)Br TS09800 [1,1,0,0,0,0|2,0,0]=4 1840 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,1,0,0,0,0|1,0,0]=3 1841 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,1,0,0,0,0|1,0,0]=3 1842 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,1,0,0,0,0|2,0,0]=4 1843 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [1,1,0,0,0,0|2,0,0]=4 1844 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,1,0,0,0,0|1,0,0]=3 1845 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,1,0,0,0,0|2,0,0]=4 1846 B9R1.69 Cc1cnc(c(n1)Cl)C TS06805 [1,1,0,0,0,0|2,0,0]=4 1847 B9R1.69 Cc1cnc(cc1Cl)Cl TS00611 [1,1,0,0,0,0|2,0,0]=4 1848 B9R1.69 Cc1cnc(cc1I)F TS08417 [1,1,0,0,0,0|2,0,0]=4 1849 B9R1.69 Cc1cnc(cn1=O)C TS05014 [1,1,0,0,0,0|2,0,0]=4 1850 B9R1.69 Cn1ccc(cc1=O)Br TS89656 [1,1,0,0,0,0|2,0,0]=4 1851 B9R1.69 Cn1ccc(cc1=O)N TS85868 [1,1,0,0,0,0|2,0,0]=4 1852 B9R1.69 c1c(c(cnc1O)F)Br TS17404 [1,1,0,0,0,0|2,0,0]=4 1853 B9R1.69 c1c(cnc(c1Br)Cl)O TS08391 [1,1,0,0,0,0|2,0,0]=4 1854 B9R1.69 c1c(cnc(c1Br)F)O TS17403 [1,1,0,0,0,0|2,0,0]=4 1855 B9R1.69 c1c(cnc(c1Br)N)O TS08881 [1,1,0,0,0,0|2,0,0]=4 1856 B9R1.69 c1c(cnc(c1Br)O)Br TS02570 [1,1,0,0,0,0|2,0,0]=4 1857 B9R1.69 c1c(cnc(c1Br)O)Cl TS39301 [1,1,0,0,0,0|2,0,0]=4 1858 B9R1.69 c1c(cnc(c1Br)O)F TS39708 [1,1,0,0,0,0|2,0,0]=4 1859 B9R1.69 c1c(cnc(c1Cl)Br)O TS20651 [1,1,0,0,0,0|2,0,0]=4 1860 B9R1.69 c1c(cnc(c1Cl)F)O TS65966 [1,1,0,0,0,0|2,0,0]=4 1861 B9R1.69 c1c(cnc(c1F)Cl)O TS08395 [1,1,0,0,0,0|2,0,0]=4 1862 B9R1.69 c1c(cnc(c1F)O)Cl TS85208 [1,1,0,0,0,0|2,0,0]=4 1863 B9R1.69 c1c(cnc(c1I)O)Br TS74565 [1,1,0,0,0,0|2,0,0]=4 1864 B9R1.69 c1c(cnc(c1N)O)Br TS55381 [1,1,0,0,0,0|2,0,0]=4 1865 B9R1.69 c1c(cnc(c1N)O)Br TS85461 [1,1,0,0,0,0|2,0,0]=4 1866 B9R1.69 c1c(cnc(c1N)O)Cl TS55382 [1,1,0,0,0,0|2,0,0]=4 1867 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [1,1,0,0,0,0|2,0,0]=4 1868 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,1,0,0,0,0|2,0,0]=4 1869 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,1,0,0,0,0|2,0,0]=4 1870 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,1,0,0,0,0|1,0,0]=3 1871 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,1,0,0,0,0|2,0,0]=4 1872 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,1,0,0,0,0|2,0,0]=4 1873 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,1,0,0,0,0|2,0,0]=4 1874 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,1,0,0,0,0|2,0,0]=4 1875 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,1,0,0,0,0|2,0,0]=4 1876 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,1,0,0,0,0|1,0,0]=3 1877 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,1,0,0,0,0|2,0,0]=4 1878 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,1,0,0,0,0|2,0,0]=4 1879 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,1,0,0,0,0|2,0,0]=4 1880 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,1,0,0,0,0|2,0,0]=4 1881 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,1,0,0,0,0|2,0,0]=4 1882 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,1,0,0,0,0|1,0,0]=3 1883 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,1,0,0,0,0|2,0,0]=4 1884 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,1,0,0,0,0|2,0,0]=4 1885 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,1,0,0,0,0|2,0,0]=4 1886 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,1,0,0,0,0|2,0,0]=4 1887 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,1,0,0,0,0|2,0,0]=4 1888 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,1,0,0,0,0|2,0,0]=4 1889 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,1,0,0,0,0|2,0,0]=4 1890 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,1,0,0,0,0|2,0,0]=4 1891 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,1,0,0,0,0|1,0,0]=3 1892 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,1,0,0,0,0|2,0,0]=4 1893 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,1,0,0,0,0|2,0,0]=4 1894 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,1,0,0,0,0|2,0,0]=4 1895 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,1,0,0,0,0|2,0,0]=4 1896 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,1,0,0,0,0|1,0,0]=3 1897 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,1,0,0,0,0|2,0,0]=4 1898 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,1,0,0,0,0|2,0,0]=4 1899 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,1,0,0,0,0|2,0,0]=4 1900 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,1,0,0,0,0|2,0,0]=4 1901 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,1,0,0,0,0|2,0,0]=4 1902 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,1,0,0,0,0|1,0,0]=3 1903 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,1,0,0,0,0|2,0,0]=4 1904 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,1,0,0,0,0|2,0,0]=4 1905 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,1,0,0,0,0|2,0,0]=4 1906 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,1,0,0,0,0|2,0,0]=4 1907 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,1,0,0,0,0|2,0,0]=4 1908 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,1,0,0,0,0|1,0,0]=3 1909 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,1,0,0,0,0|1,1,0]=4 1910 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,1,0,0,0,0|2,0,0]=4 1911 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,1,0,0,0,0|2,0,0]=4 1912 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,1,0,0,0,0|2,0,0]=4 1913 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,1,0,0,0,0|2,0,0]=4 1914 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,1,0,0,0,0|2,0,0]=4 1915 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,1,0,0,0,0|1,0,0]=3 1916 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,1,0,0,0,0|2,0,0]=4 1917 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,1,0,0,0,0|2,0,0]=4 1918 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,1,0,0,0,0|2,0,0]=4 1919 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,1,0,0,0,0|1,0,0]=3 1920 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,1,0,0,0,0|2,0,0]=4 1921 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,1,0,0,0,0|2,0,0]=4 1922 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,1,0,0,0,0|2,0,0]=4 1923 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,1,0,0,0,0|2,0,0]=4 1924 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,1,0,0,0,0|2,0,0]=4 1925 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,1,0,0,0,0|1,0,0]=3 1926 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,1,0,0,0,0|1,1,0]=4 1927 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,1,0,0,0,0|1,1,0]=4 1928 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,1,0,0,0,0|2,0,0]=4 1929 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,1,0,0,0,0|2,0,0]=4 1930 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,1,0,0,0,0|2,0,0]=4 1931 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,1,0,0,0,0|2,0,0]=4 1932 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,1,0,0,0,0|1,0,0]=3 1933 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,1,0,0,0,0|2,0,0]=4 1934 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,1,0,0,0,0|2,0,0]=4 1935 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,1,0,0,0,0|2,0,0]=4 1936 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,1,0,0,0,0|2,0,0]=4 1937 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,1,0,0,0,0|2,0,0]=4 1938 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,1,0,0,0,0|2,0,0]=4 1939 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,1,0,0,0,0|2,0,0]=4 1940 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,1,0,0,0,0|1,0,0]=3 1941 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,1,0,0,0,0|2,0,0]=4 1942 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,1,0,0,0,0|2,0,0]=4 1943 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,1,0,0,0,0|2,0,0]=4 1944 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,1,0,0,0,0|2,0,0]=4 1945 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,1,0,0,0,0|2,0,0]=4 1946 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,1,0,0,0,0|1,0,0]=3 1947 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,1,0,0,0,0|1,1,0]=4 1948 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,1,0,0,0,0|2,0,0]=4 1949 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,1,0,0,0,0|2,0,0]=4 1950 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,1,0,0,0,0|2,0,0]=4 1951 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,1,0,0,0,0|2,0,0]=4 1952 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,1,0,0,0,0|2,0,0]=4 1953 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,1,0,0,0,0|1,0,0]=3 1954 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,1,0,0,0,0|1,1,0]=4 1955 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,1,0,0,0,0|2,0,0]=4 1956 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,1,0,0,0,0|2,0,0]=4 1957 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,1,0,0,0,0|2,0,0]=4 1958 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,1,0,0,0,0|2,0,0]=4 1959 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,1,0,0,0,0|2,0,0]=4 1960 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,1,0,0,0,0|2,0,0]=4 1961 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,1,0,0,0,0|2,0,0]=4 1962 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,1,0,0,0,0|2,0,0]=4 1963 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,1,0,0,0,0|2,0,0]=4 1964 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,1,0,0,0,0|2,0,0]=4 1965 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,1,0,0,0,0|1,0,0]=3 1966 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,1,0,0,0,0|2,0,0]=4 1967 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,1,0,0,0,0|2,0,0]=4 1968 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,1,0,0,0,0|2,0,0]=4 1969 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,1,0,0,0,0|2,0,0]=4 1970 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,1,0,0,0,0|1,0,0]=3 1971 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,1,0,0,0,0|2,0,0]=4 1972 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,1,0,0,0,0|2,0,0]=4 1973 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,1,0,0,0,0|2,0,0]=4 1974 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,1,0,0,0,0|2,0,0]=4 1975 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,1,0,0,0,0|2,0,0]=4 1976 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,1,0,0,0,0|2,0,0]=4 1977 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,1,0,0,0,0|2,0,0]=4 1978 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,1,0,0,0,0|2,0,0]=4 1979 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,1,0,0,0,0|2,0,0]=4 1980 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,1,0,0,0,0|2,0,0]=4 1981 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,1,0,0,0,0|2,0,0]=4 1982 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,1,0,0,0,0|2,0,0]=4 1983 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,1,0,0,0,0|2,0,0]=4 1984 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,1,0,0,0,0|2,0,0]=4 1985 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,1,0,0,0,0|2,0,0]=4 1986 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,1,0,0,0,0|2,0,0]=4 1987 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,1,0,0,0,0|2,0,0]=4 1988 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,1,0,0,0,0|2,0,0]=4 1989 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,1,0,0,0,0|2,0,0]=4 1990 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,1,0,0,0,0|1,0,0]=3 1991 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,1,0,0,0,0|2,0,0]=4 1992 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,1,0,0,0,0|2,0,0]=4 1993 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,1,0,0,0,0|2,0,0]=4 1994 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,1,0,0,0,0|2,0,0]=4 1995 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,1,0,0,0,0|2,0,0]=4 1996 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,1,0,0,0,0|2,0,0]=4 1997 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,1,0,0,0,0|2,0,0]=4 1998 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,1,0,0,0,0|1,0,0]=3 1999 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,1,0,0,0,0|2,0,0]=4 2000 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,1,0,0,0,0|2,0,0]=4 2001 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,1,0,0,0,0|2,0,0]=4 2002 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,1,0,0,0,0|2,0,0]=4 2003 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,1,0,0,0,0|1,0,0]=3 2004 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,1,0,0,0,0|2,0,0]=4 2005 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,1,0,0,0,0|1,0,0]=3 2006 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,1,0,0,0,0|2,0,0]=4 2007 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,1,0,0,0,0|2,0,0]=4 2008 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,1,0,0,0,0|2,0,0]=4 2009 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,1,0,0,0,0|2,0,0]=4 2010 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,1,0,0,0,0|1,0,0]=3 2011 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,1,0,0,0,0|2,0,0]=4 2012 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,1,0,0,0,0|1,0,0]=3 2013 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,1,0,0,0,0|1,0,0]=3 2014 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,1,0,0,0,0|1,0,0]=3 2015 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,1,0,0,0,0|1,0,0]=3 2016 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,1,0,0,0,0|1,0,0]=3 2017 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,1,0,0,0,0|1,0,0]=3 2018 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,1,0,0,0,0|1,0,0]=3 2019 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,1,0,0,0,0|1,0,0]=3 2020 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,1,0,0,0,0|1,0,0]=3 2021 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,1,0,0,0,0|1,0,0]=3 2022 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,1,0,0,0,0|1,0,0]=3 2023 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,1,0,0,0,0|1,0,0]=3 2024 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,1,0,0,0,0|1,0,0]=3 2025 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,1,0,0,0,0|1,0,0]=3 2026 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,1,0,0,0,0|1,0,0]=3 2027 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,1,0,0,0,0|1,0,0]=3 2028 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,1,0,0,0,0|1,0,0]=3 2029 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,1,0,0,0,0|1,0,0]=3 2030 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,1,0,0,0,0|1,0,0]=3 2031 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,1,0,0,0,0|1,0,0]=3 2032 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,1,0,0,0,0|1,0,0]=3 2033 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,1,0,0,0,0|1,1,0]=4 2034 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,1,0,0,0,0|1,1,0]=4 2035 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,1,0,0,0,0|1,1,0]=4 2036 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,1,0,0,0,0|1,1,0]=4 2037 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,1,0,0,0,0|1,1,0]=4 2038 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,1,0,0,0,0|2,0,0]=4 2039 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,1,0,0,0,0|2,0,0]=4 2040 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,1,0,0,0,0|2,0,0]=4 2041 B9R1.69 c1cc(nc(c1O)Br)Br TS00688 [1,1,0,0,0,0|2,0,0]=4 2042 B9R1.69 c1cc(nc(c1O)I)Cl TS28821 [1,1,0,0,0,0|2,0,0]=4 2043 B9R1.21 CCc1ccc(s1)CC TS37431 [0,1,0,0,1,0|2,0,0]=4 2044 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,1,0,0,1,0|2,0,0]=4 2045 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,1,0,0,1,0|2,0,0]=4 2046 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,1,0,0,1,0|2,0,0]=4 2047 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,1,0,0,1,0|2,0,0]=4 2048 B11R1.391 COc1ccc(ccc1=O)Br TS44632 [0,1,0,0,0,1|1,0,0]=3 2049 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,2,0,0,0,0|1,0,0]=3 2051 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [0,2,0,0,0,0|2,0,0]=4 2052 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [0,2,0,0,0,0|2,0,0]=4 2053 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [0,2,0,0,0,0|2,0,0]=4 2054 B11R1.1 CCCCc1ccc(cc1)C TS07510 [0,2,0,0,0,0|1,0,0]=3 2055 B11R1.1 CCCCc1ccc(cc1)I TS29429 [0,2,0,0,0,0|2,0,0]=4 2056 B11R1.1 CCCCc1ccc(cc1)N TS07605 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.1 CCCCc1ccc(cc1)O TS40895 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.1 CCCCc1ccc(cc1)S TS43140 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.1 CCCCc1ccc(nc1)C TS40771 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [0,2,0,0,0,0|1,0,0]=3 2061 B11R1.1 CCCOc1ccc(cc1)N TS10071 [0,2,0,0,0,0|1,0,0]=3 2062 B11R1.1 CCCOc1ccc(cc1)O TS71268 [0,2,0,0,0,0|1,0,0]=3 2063 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [0,2,0,0,0,0|2,0,0]=4 2064 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [0,2,0,0,0,0|2,0,0]=4 2065 B11R1.1 CCNCc1ccc(cc1)F TS10337 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [0,2,0,0,0,0|2,0,0]=4 2067 B11R1.1 CNCCc1ccc(cc1)F TS10330 [0,2,0,0,0,0|2,0,0]=4 2068 B11R1.1 CNCCc1ccc(cc1)N TS09940 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.1 CNCCc1ccc(cc1)O TS94477 [0,2,0,0,0,0|2,0,0]=4 2070 B11R1.1 COCCc1ccc(cc1)O TS10182 [0,2,0,0,0,0|1,0,0]=3 2071 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,2,0,0,0,0|1,0,0]=3 2072 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [0,2,0,0,0,0|1,0,0]=3 2073 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [0,2,0,0,0,0|1,0,0]=3 2074 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [0,2,0,0,0,0|1,0,0]=3 2075 B11R1.1 Cc1ccc(cc1)CN=C=O TS07342 [0,2,0,0,0,0|1,0,1]=4 2076 B11R1.1 Cc1ccc(cc1)NCC#C TS07117 [0,2,0,0,0,0|1,0,0]=3 2077 B11R1.1 Cc1ccc(cc1)NN=NC TS07576 [0,2,0,0,0,0|1,0,0]=3 2078 B11R1.1 Cc1ccc(cc1)NNC=O TS09888 [0,2,0,0,0,0|1,0,1]=4 2079 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [0,2,0,0,0,0|0,0,0]=2 2080 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,2,0,0,0,0|0,0,0]=2 2081 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [0,2,0,0,0,0|0,0,0]=2 2082 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [0,2,0,0,0,0|0,0,0]=2 2083 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [0,2,0,0,0,0|0,0,0]=2 2084 B11R1.1 Cc1ccc(cc1)SCC#N TS60249 [0,2,0,0,0,0|0,1,0]=3 2085 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [0,2,0,0,0,0|2,0,0]=4 2086 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.1 c1cc(ccc1C#CCO)Br TS21066 [0,2,0,0,0,0|2,0,0]=4 2088 B11R1.1 c1cc(ccc1C#CCO)Cl TS12310 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [0,2,0,0,0,0|2,0,0]=4 2090 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [0,2,0,0,0,0|2,0,0]=4 2091 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [0,2,0,0,0,0|2,0,0]=4 2092 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [0,2,0,0,0,0|2,0,0]=4 2093 B11R1.1 c1cc(ccc1CCCN)O TS10075 [0,2,0,0,0,0|2,0,0]=4 2094 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [0,2,0,0,0,0|2,0,0]=4 2095 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [0,2,0,0,0,0|2,0,0]=4 2096 B11R1.1 c1cc(ccc1CCCO)O TS02185 [0,2,0,0,0,0|2,0,0]=4 2097 B11R1.1 c1cc(ccc1F)SCC#N TS12398 [0,2,0,0,0,0|1,1,0]=4 2098 B11R1.1 c1cc(ccc1N)NCCO TS62844 [0,2,0,0,0,0|2,0,0]=4 2099 B11R1.1 c1cc(ccc1NCCO)O TS10316 [0,2,0,0,0,0|2,0,0]=4 2100 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [0,2,0,0,0,0|1,0,0]=3 2101 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [0,2,0,0,0,0|1,0,0]=3 2102 B11R1.1 c1cc(ccc1OCC#N)Cl TS12430 [0,2,0,0,0,0|1,0,0]=3 2103 B11R1.1 c1cc(ccc1OCC#N)F TS40982 [0,2,0,0,0,0|1,0,0]=3 2104 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [0,2,0,0,0,0|1,0,0]=3 2105 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [0,2,0,0,0,0|1,0,0]=3 2106 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [0,2,0,0,0,0|1,0,0]=3 2107 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [0,2,0,0,0,0|1,0,0]=3 2108 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [0,2,0,0,0,0|1,0,0]=3 2109 B11R1.1 c1cc(ccc1OCCF)I TS73463 [0,2,0,0,0,0|1,0,0]=3 2110 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [0,2,0,0,0,0|1,0,0]=3 2111 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [0,2,0,0,0,0|1,0,0]=3 2112 B11R1.1 c1cc(ccc1SCC#N)Cl TS15203 [0,2,0,0,0,0|1,1,0]=4 2113 B11R1.1 c1cc(ccc1SCCN)Br TS30597 [0,2,0,0,0,0|1,1,0]=4 2114 B11R1.1 c1cc(ccc1SCCN)Cl TS15882 [0,2,0,0,0,0|1,1,0]=4 2115 B11R1.1 c1cc(ccc1SCCO)Cl TS16097 [0,2,0,0,0,0|1,1,0]=4 2116 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,2,0,0,0,0|2,0,0]=4 2117 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,2,0,0,0,0|2,0,0]=4 2118 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,2,0,0,0,0|2,0,0]=4 2119 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,2,0,0,0,0|2,0,0]=4 2120 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,2,0,0,0,0|2,0,0]=4 2121 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,2,0,0,0,0|2,0,0]=4 2126 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,2,0,0,0,0|2,0,0]=4 2127 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,2,0,0,0,0|1,0,0]=3 2129 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,2,0,0,0,0|1,0,0]=3 2130 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,2,0,0,0,0|1,0,0]=3 2131 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,2,0,0,0,0|1,0,0]=3 2136 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,2,0,0,0,0|1,0,0]=3 2137 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [0,2,0,0,0,0|2,0,0]=4 2138 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,2,0,0,0,0|2,0,0]=4 2140 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,2,0,0,0,0|2,0,0]=4 2141 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,2,0,0,0,0|2,0,0]=4 2142 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,2,0,0,0,0|2,0,0]=4 2143 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,2,0,0,0,0|2,0,0]=4 2144 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,2,0,0,0,0|1,0,0]=3 2145 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,2,0,0,0,0|1,0,1]=4 2146 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,2,0,0,0,0|1,0,1]=4 2147 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,2,0,0,0,0|1,0,1]=4 2148 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,2,0,0,0,0|1,0,1]=4 2149 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,2,0,0,0,0|1,0,1]=4 2150 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,2,0,0,0,0|1,0,0]=3 2151 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,2,0,0,0,0|1,0,1]=4 2152 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,2,0,0,0,0|1,0,1]=4 2153 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,2,0,0,0,0|0,0,0]=2 2154 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,2,0,0,0,0|0,0,1]=3 2155 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,2,0,0,0,0|0,0,1]=3 2156 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [0,2,0,0,0,0|0,0,0]=2 2157 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.20 c1cc(ccc1N)OC(F)F TS16906 [0,2,0,0,0,0|1,0,0]=3 2159 B11R1.20 c1cc(ccc1N)SC(F)F TS13693 [0,2,0,0,0,0|1,1,0]=4 2160 B11R1.20 c1cc(ccc1O)OC(F)F TS42116 [0,2,0,0,0,0|1,0,0]=3 2161 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,2,0,0,0,0|1,0,1]=4 2162 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,2,0,0,0,0|1,0,1]=4 2163 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,2,0,0,0,0|1,0,1]=4 2164 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,2,0,0,0,0|1,0,1]=4 2165 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,2,0,0,0,0|1,0,1]=4 2166 B11R1.20 c1cc(ccc1OC(F)F)Br TS50248 [0,2,0,0,0,0|1,0,0]=3 2167 B11R1.20 c1cc(ccc1OC(F)F)I TS30740 [0,2,0,0,0,0|1,0,0]=3 2168 B11R1.20 c1cc(ccc1SC(F)F)Cl TS51937 [0,2,0,0,0,0|1,1,0]=4 2169 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,2,0,0,0,0|2,0,0]=4 2171 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,2,0,0,0,0|1,0,0]=3 2174 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,2,0,0,0,0|2,0,0]=4 2178 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,2,0,0,0,0|2,0,0]=4 2179 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,2,0,0,0,0|2,0,0]=4 2180 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [0,2,0,0,0,0|1,0,0]=3 2181 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,2,0,0,0,0|2,0,0]=4 2182 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,2,0,0,0,0|1,0,0]=3 2183 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,2,0,0,0,0|1,0,0]=3 2185 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,2,0,0,0,0|1,0,0]=3 2186 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,2,0,0,0,0|1,0,0]=3 2187 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,2,0,0,0,0|1,0,0]=3 2188 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,2,0,0,0,0|1,0,0]=3 2189 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,2,0,0,0,0|1,0,0]=3 2190 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,2,0,0,0,0|1,0,0]=3 2192 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,2,0,0,0,0|1,0,0]=3 2193 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,2,0,0,0,0|2,0,0]=4 2194 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,2,0,0,0,0|2,0,0]=4 2195 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,2,0,0,0,0|2,0,0]=4 2196 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,2,0,0,0,0|2,0,0]=4 2197 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,2,0,0,0,0|2,0,0]=4 2198 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,2,0,0,0,0|2,0,0]=4 2199 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,2,0,0,0,0|2,0,0]=4 2200 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,2,0,0,0,0|2,0,0]=4 2201 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,2,0,0,0,0|2,0,0]=4 2202 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,2,0,0,0,0|1,0,0]=3 2204 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,2,0,0,0,0|2,0,0]=4 2207 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,2,0,0,0,0|1,0,1]=4 2208 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,2,0,0,0,0|1,0,1]=4 2209 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,2,0,0,0,0|1,0,0]=3 2210 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,2,0,0,0,0|1,0,0]=3 2211 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,2,0,0,0,0|1,0,0]=3 2212 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,2,0,0,0,0|1,0,0]=3 2213 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,2,0,0,0,0|1,0,0]=3 2214 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,2,0,0,0,0|1,0,0]=3 2215 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,2,0,0,0,0|2,0,0]=4 2216 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,2,0,0,0,0|2,0,0]=4 2217 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,2,0,0,0,0|0,0,0]=2 2218 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,2,0,0,0,0|1,0,0]=3 2219 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,2,0,0,0,0|0,0,0]=2 2220 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,2,0,0,0,0|1,0,1]=4 2221 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,2,0,0,0,0|1,0,0]=3 2222 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,2,0,0,0,0|2,0,0]=4 2223 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,2,0,0,0,0|2,0,0]=4 2225 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,2,0,0,0,0|2,0,0]=4 2226 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,2,0,0,0,0|2,0,0]=4 2229 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,2,0,0,0,0|2,0,0]=4 2235 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,2,0,0,0,0|2,0,0]=4 2237 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,2,0,0,0,0|2,0,0]=4 2243 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,2,0,0,0,0|2,0,0]=4 2244 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,2,0,0,0,0|2,0,0]=4 2245 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,2,0,0,0,0|2,0,0]=4 2246 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,2,0,0,0,0|2,0,0]=4 2248 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,2,0,0,0,0|2,0,0]=4 2249 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,2,0,0,0,0|2,0,0]=4 2250 B11R1.81 CCNc1ccc(cc1Cl)Cl TS51023 [0,2,0,0,0,0|2,0,0]=4 2251 B11R1.81 CCNc1ccc(cc1N)Cl TS12938 [0,2,0,0,0,0|2,0,0]=4 2252 B11R1.81 CCOc1c(cc(cn1)Br)I TS77713 [0,2,0,0,0,0|2,0,0]=4 2253 B11R1.81 CCOc1c(cc(cn1)Cl)F TS13757 [0,2,0,0,0,0|2,0,0]=4 2254 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [0,2,0,0,0,0|1,0,0]=3 2255 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [0,2,0,0,0,0|1,0,0]=3 2256 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [0,2,0,0,0,0|1,0,0]=3 2257 B11R1.81 CCOc1ccc(cc1N)N TS62845 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.81 CCOc1ccc(nc1C)N TS03291 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.81 Cc1ccc(c(c1)Br)N=C=S TS52594 [0,2,0,0,0,0|1,0,1]=4 2261 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [0,2,0,0,0,0|1,0,1]=4 2262 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [0,2,0,0,0,0|1,0,0]=3 2263 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [0,2,0,0,0,0|1,0,0]=3 2264 B11R1.81 Cc1ccc(c(c1)C)N=C=O TS40523 [0,2,0,0,0,0|1,0,1]=4 2265 B11R1.81 Cc1ccc(c(c1)C)N=C=S TS42627 [0,2,0,0,0,0|1,0,1]=4 2266 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [0,2,0,0,0,0|1,0,1]=4 2267 B11R1.81 Cc1ccc(c(c1)Cl)N=C=S TS15200 [0,2,0,0,0,0|1,0,1]=4 2268 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [0,2,0,0,0,0|1,0,1]=4 2269 B11R1.81 Cc1ccc(c(c1)F)N=C=S TS12395 [0,2,0,0,0,0|1,0,1]=4 2270 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [0,2,0,0,0,0|2,0,0]=4 2271 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.81 c1cc(c(cc1Cl)Cl)CON TS24614 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [0,2,0,0,0,0|2,0,0]=4 2276 B11R1.81 c1cc(c(cc1F)Cl)CON TS93678 [0,2,0,0,0,0|2,0,0]=4 2277 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [0,2,0,0,0,0|0,0,0]=2 2279 B11R1.83 CCCc1ccc(cc1)C#C TS08750 [0,2,0,0,0,0|1,0,1]=4 2280 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,2,0,0,0,0|1,0,1]=4 2281 B11R1.83 CCCc1ccc(cc1)CN TS07601 [0,2,0,0,0,0|1,0,0]=3 2282 B11R1.83 CCCc1ccc(cc1)NN TS15743 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.83 CCCc1ccc(cc1)OC TS40915 [0,2,0,0,0,0|0,0,0]=2 2284 B11R1.83 CCNc1ccc(cc1)C#N TS40442 [0,2,0,0,0,0|1,0,1]=4 2285 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [0,2,0,0,0,0|0,0,1]=3 2286 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [0,2,0,0,0,0|0,0,1]=3 2287 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [0,2,0,0,0,0|0,0,1]=3 2288 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [0,2,0,0,0,0|0,0,1]=3 2289 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [0,2,0,0,0,0|0,0,0]=2 2290 B11R1.83 CCOc1ccc(cc1)CO TS10188 [0,2,0,0,0,0|0,0,0]=2 2291 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [0,2,0,0,0,0|0,0,0]=2 2292 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [0,2,0,0,0,0|0,1,1]=4 2293 B11R1.83 CCc1ccc(cc1)CC#N TS07123 [0,2,0,0,0,0|1,0,0]=3 2294 B11R1.83 CCc1ccc(cc1)CNC TS40780 [0,2,0,0,0,0|1,0,0]=3 2295 B11R1.83 CCc1ccc(cc1)N=C=O TS40535 [0,2,0,0,0,0|1,0,1]=4 2296 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,2,0,0,0,0|0,0,0]=2 2297 B11R1.83 CCc1ccc(nc1)CCO TS10081 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.83 CNCc1ccc(cc1)C#N TS40437 [0,2,0,0,0,0|1,0,1]=4 2299 B11R1.83 CNCc1ccc(cc1)OC TS03152 [0,2,0,0,0,0|0,0,0]=2 2300 B11R1.83 CNCc1ccc(cc1)OC TS03153 [0,2,0,0,0,0|0,0,0]=2 2301 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [0,2,0,0,0,0|0,0,1]=3 2302 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [0,2,0,0,0,0|0,0,1]=3 2303 B11R1.83 COc1ccc(cc1)CC#N TS39555 [0,2,0,0,0,0|0,0,0]=2 2304 B11R1.83 COc1ccc(cc1)CC=C TS07478 [0,2,0,0,0,0|0,0,0]=2 2305 B11R1.83 COc1ccc(cc1)CC=O TS09869 [0,2,0,0,0,0|0,0,0]=2 2306 B11R1.83 COc1ccc(cc1)CCCl TS12933 [0,2,0,0,0,0|0,0,0]=2 2307 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,2,0,0,0,0|0,0,0]=2 2308 B11R1.83 COc1ccc(cc1)CNN TS87992 [0,2,0,0,0,0|0,0,0]=2 2309 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [0,2,0,0,0,0|0,0,0]=2 2310 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [0,2,0,0,0,0|0,0,0]=2 2311 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [0,2,0,0,0,0|0,0,1]=3 2312 B11R1.83 COc1ccc(cc1)N=C=S TS42930 [0,2,0,0,0,0|0,0,1]=3 2313 B11R1.83 COc1ccc(cc1)NC=O TS41013 [0,2,0,0,0,0|0,0,1]=3 2314 B11R1.83 CSc1ccc(cc1)N=C=O TS42925 [0,2,0,0,0,0|0,1,1]=4 2315 B11R1.83 c1cc(ccc1CC#N)C#N TS37566 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.83 c1cc(ccc1CCN)CO TS16390 [0,2,0,0,0,0|1,0,0]=3 2317 B11R1.83 c1cc(ccc1CCl)N=C=O TS43279 [0,2,0,0,0,0|1,0,1]=4 2318 B11R1.192 CCNc1ccc(c(c1)Cl)Cl TS51008 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.192 CCOc1cc(c(nc1)Br)N TS49211 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.192 CCOc1ccc(c(c1)Cl)F TS13603 [0,2,0,0,0,0|1,0,0]=3 2321 B11R1.192 CCOc1ccc(c(c1)F)Cl TS13591 [0,2,0,0,0,0|1,0,0]=3 2322 B11R1.192 CCOc1ccc(c(c1)F)F TS10941 [0,2,0,0,0,0|1,0,0]=3 2323 B11R1.192 CCOc1ccc(c(c1)F)N TS51367 [0,2,0,0,0,0|1,0,0]=3 2324 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [0,2,0,0,0,0|2,0,0]=4 2326 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [0,2,0,0,0,0|1,0,1]=4 2327 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [0,2,0,0,0,0|1,0,0]=3 2328 B11R1.192 Cc1ccc(cc1C)N=C=O TS40533 [0,2,0,0,0,0|1,0,1]=4 2329 B11R1.192 Cc1ccc(cc1C)N=C=S TS42616 [0,2,0,0,0,0|1,0,1]=4 2330 B11R1.192 Cc1ccc(cc1Cl)N=C=O TS12434 [0,2,0,0,0,0|1,0,1]=4 2331 B11R1.192 Cc1ccc(cc1Cl)N=C=S TS15204 [0,2,0,0,0,0|1,0,1]=4 2332 B11R1.192 Cc1ccc(cc1F)CC#N TS02759 [0,2,0,0,0,0|1,0,1]=4 2333 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [0,2,0,0,0,0|1,0,1]=4 2334 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [0,2,0,0,0,0|1,0,0]=3 2335 B11R1.192 Cc1ccc(cc1F)N=C=S TS12388 [0,2,0,0,0,0|1,0,1]=4 2336 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS51014 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS77162 [0,2,0,0,0,0|2,0,0]=4 2338 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [0,2,0,0,0,0|2,0,0]=4 2339 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [0,2,0,0,0,0|2,0,0]=4 2340 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [0,2,0,0,0,0|2,0,0]=4 2341 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [0,2,0,0,0,0|2,0,0]=4 2343 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [0,2,0,0,0,0|2,0,0]=4 2344 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [0,2,0,0,0,0|2,0,0]=4 2345 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [0,2,0,0,0,0|2,0,0]=4 2346 B11R1.192 c1cc(c(cc1CO[NH3+])Cl)Cl TS24615 [0,2,0,0,0,0|2,0,0]=4 2347 B11R1.3 B(c1ccc(cc1)CBr)(O)O TS16901 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [0,2,0,0,0,0|2,0,0]=4 2349 B11R1.3 B(c1ccc(cc1)CCl)(O)O TS45216 [0,2,0,0,0,0|2,0,0]=4 2350 B11R1.3 B(c1ccc(cc1)CN)(O)O TS08871 [0,2,0,0,0,0|2,0,0]=4 2351 B11R1.3 B(c1ccc(cc1)CN)(O)O TS40961 [0,2,0,0,0,0|2,0,0]=4 2352 B11R1.3 B(c1ccc(cc1)CO)(O)O TS03127 [0,2,0,0,0,0|2,0,0]=4 2353 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [0,2,0,0,0,0|1,0,0]=3 2354 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [0,2,0,0,0,0|1,1,0]=4 2355 B11R1.3 B(c1ccc(nc1)OC)(O)O TS50971 [0,2,0,0,0,0|2,0,0]=4 2356 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,2,0,0,0,0|1,0,1]=4 2357 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,2,0,0,0,0|1,0,1]=4 2358 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,2,0,0,0,0|1,0,1]=4 2359 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,2,0,0,0,0|1,0,1]=4 2360 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,2,0,0,0,0|1,0,1]=4 2361 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,2,0,0,0,0|0,0,0]=2 2362 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,2,0,0,0,0|0,1,0]=3 2363 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,2,0,0,0,0|1,0,0]=3 2364 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,2,0,0,0,0|1,0,0]=3 2365 B11R1.3 CC(C)c1ccc(cc1)C#C TS01856 [0,2,0,0,0,0|1,0,1]=4 2366 B11R1.3 CC(C)c1ccc(cc1)C=C TS07267 [0,2,0,0,0,0|1,0,1]=4 2367 B11R1.3 CC(C)c1ccc(cc1)C=O TS09730 [0,2,0,0,0,0|1,0,1]=4 2368 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [0,2,0,0,0,0|1,0,0]=3 2369 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [0,2,0,0,0,0|1,0,0]=3 2370 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [0,2,0,0,0,0|1,0,0]=3 2371 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [0,2,0,0,0,0|1,0,0]=3 2372 B11R1.3 CC(C)c1ccc(cc1)NN TS09944 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.3 CC(C)c1ccc(cc1)NN TS15742 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [0,2,0,0,0,0|0,0,0]=2 2375 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,2,0,0,0,0|0,0,0]=2 2376 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,2,0,0,0,0|1,0,0]=3 2377 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,2,0,0,0,0|1,0,1]=4 2378 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,2,0,0,0,0|1,0,1]=4 2379 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,2,0,0,0,0|1,0,1]=4 2380 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,2,0,0,0,0|1,0,1]=4 2381 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [0,2,0,0,0,0|1,0,0]=3 2382 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [0,2,0,0,0,0|2,0,0]=4 2383 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [0,2,0,0,0,0|1,0,0]=3 2384 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [0,2,0,0,0,0|1,0,0]=3 2385 B11R1.3 CN(C)c1ccc(cc1)C#C TS07116 [0,2,0,0,0,0|1,0,1]=4 2386 B11R1.3 CN(C)c1ccc(cc1)C=O TS70774 [0,2,0,0,0,0|1,0,1]=4 2387 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [0,2,0,0,0,0|1,0,0]=3 2388 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [0,2,0,0,0,0|1,0,0]=3 2389 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [0,2,0,0,0,0|1,0,0]=3 2390 B11R1.3 CN(C)c1ccc(cc1)N=O TS09885 [0,2,0,0,0,0|2,0,0]=4 2391 B11R1.3 CN(C)c1ccc(cc1)[Mg]Br TS50540 [0,2,0,0,0,0|2,0,0]=4 2392 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77100 [0,2,0,0,0,0|2,0,0]=4 2393 B11R1.3 CN(C)c1ccc(cc1)[N+]#N TS77101 [0,2,0,0,0,0|2,0,0]=4 2394 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,2,0,0,0,0|1,0,1]=4 2395 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [0,2,0,0,0,0|2,0,0]=4 2396 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,2,0,0,0,0|0,0,1]=3 2397 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,2,0,0,0,0|0,0,1]=3 2398 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,2,0,0,0,0|0,0,1]=3 2399 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,2,0,0,0,0|0,0,1]=3 2400 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,2,0,0,0,0|0,0,1]=3 2401 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,2,0,0,0,0|0,0,1]=3 2402 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,2,0,0,0,0|1,0,0]=3 2403 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,2,0,0,0,0|1,0,1]=4 2404 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [0,2,0,0,0,0|1,0,1]=4 2405 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] TS01097 [0,2,0,0,0,0|2,0,0]=4 2406 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,2,0,0,0,0|1,0,1]=4 2407 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,2,0,0,0,0|0,1,1]=4 2408 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [0,2,0,0,0,0|1,1,0]=4 2409 B11R1.3 C[C@@H](c1ccc(cc1)C#N)N TS08105 [0,2,0,0,0,0|1,0,1]=4 2410 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [0,2,0,0,0,0|0,0,0]=2 2411 B11R1.3 C[C@@H](c1ccc(cc1)[N+]#[C-])O TS07344 [0,2,0,0,0,0|1,0,1]=4 2412 B11R1.3 C[C@H](c1ccc(cc1)C#N)N TS08058 [0,2,0,0,0,0|1,0,1]=4 2413 B11R1.3 C[C@H](c1ccc(cc1)[N+]#[C-])O TS07330 [0,2,0,0,0,0|1,0,1]=4 2414 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,2,0,0,0,0|2,0,0]=4 2415 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [0,2,0,0,0,0|2,0,0]=4 2416 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,2,0,0,0,0|2,0,0]=4 2417 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,2,0,0,0,0|2,0,0]=4 2418 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [0,2,0,0,0,0|2,0,0]=4 2419 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [0,2,0,0,0,0|2,0,0]=4 2420 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,2,0,0,0,0|2,0,0]=4 2421 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,2,0,0,0,0|2,0,0]=4 2422 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,2,0,0,0,0|2,0,0]=4 2423 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [0,2,0,0,0,0|2,0,0]=4 2424 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,2,0,0,0,0|2,0,0]=4 2425 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,2,0,0,0,0|2,0,0]=4 2426 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [0,2,0,0,0,0|2,0,0]=4 2427 B11R1.279 CNc1ccc(cc1N)C#N TS39296 [0,2,0,0,0,0|1,0,1]=4 2428 B11R1.279 CNc1ccc(cc1N)OC TS10200 [0,2,0,0,0,0|0,0,0]=2 2429 B11R1.279 COc1c(cc(cn1)C=O)Cl TS85210 [0,2,0,0,0,0|1,0,1]=4 2430 B11R1.279 COc1c(cc(cn1)C=O)F TS07749 [0,2,0,0,0,0|1,0,1]=4 2431 B11R1.279 COc1c(cc(cn1)CO)Cl TS03266 [0,2,0,0,0,0|1,0,0]=3 2432 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [0,2,0,0,0,0|0,0,0]=2 2433 B11R1.279 COc1ccc(c(c1)Cl)C#N TS09276 [0,2,0,0,0,0|0,0,1]=3 2434 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [0,2,0,0,0,0|0,0,0]=2 2435 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [0,2,0,0,0,0|0,0,0]=2 2436 B11R1.279 COc1ccc(c(c1)F)C#N TS55335 [0,2,0,0,0,0|0,0,1]=3 2437 B11R1.279 COc1ccc(c(c1)F)C=O TS55334 [0,2,0,0,0,0|0,0,1]=3 2438 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [0,2,0,0,0,0|0,0,0]=2 2439 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [0,2,0,0,0,0|0,0,0]=2 2440 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [0,2,0,0,0,0|0,0,0]=2 2441 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [0,2,0,0,0,0|0,0,0]=2 2442 B11R1.279 COc1ccc(c(c1)N)C#N TS47403 [0,2,0,0,0,0|0,0,1]=3 2443 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [0,2,0,0,0,0|0,0,0]=2 2444 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [0,2,0,0,0,0|0,0,1]=3 2445 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [0,2,0,0,0,0|0,0,0]=2 2446 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [0,2,0,0,0,0|0,0,0]=2 2447 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [0,2,0,0,0,0|0,0,0]=2 2448 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [0,2,0,0,0,0|0,0,1]=3 2449 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [0,2,0,0,0,0|0,0,1]=3 2450 B11R1.279 COc1ccc(cc1Br)CN TS21977 [0,2,0,0,0,0|0,0,0]=2 2451 B11R1.279 COc1ccc(cc1Br)CO TS59850 [0,2,0,0,0,0|0,0,0]=2 2452 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [0,2,0,0,0,0|0,0,1]=3 2453 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [0,2,0,0,0,0|0,0,1]=3 2454 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [0,2,0,0,0,0|0,0,0]=2 2455 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [0,2,0,0,0,0|0,0,0]=2 2456 B11R1.279 COc1ccc(cc1F)C#N TS40985 [0,2,0,0,0,0|0,0,1]=3 2457 B11R1.279 COc1ccc(cc1F)CBr TS65514 [0,2,0,0,0,0|0,0,0]=2 2458 B11R1.279 COc1ccc(cc1F)CN TS41508 [0,2,0,0,0,0|0,0,0]=2 2459 B11R1.279 COc1ccc(cc1F)CO TS41603 [0,2,0,0,0,0|0,0,0]=2 2460 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [0,2,0,0,0,0|1,0,0]=3 2461 B11R1.279 COc1ccc(cc1I)C=O TS08986 [0,2,0,0,0,0|0,0,1]=3 2462 B11R1.279 COc1ccc(cc1O)C#N TS70607 [0,2,0,0,0,0|0,0,1]=3 2463 B11R1.279 COc1ccc(cc1O)C=O TS70606 [0,2,0,0,0,0|0,0,1]=3 2464 B11R1.279 COc1ccc(cc1O)CN TS16250 [0,2,0,0,0,0|0,0,0]=2 2465 B11R1.279 COc1ccc(cc1O)CO TS10408 [0,2,0,0,0,0|0,0,0]=2 2466 B11R1.279 Cc1cc(ccc1C#C)OC TS07228 [0,2,0,0,0,0|0,0,1]=3 2467 B11R1.279 Cc1cc(ccc1C=O)OC TS01123 [0,2,0,0,0,0|0,0,1]=3 2468 B11R1.279 Cc1cc(ccc1NN)OC TS16092 [0,2,0,0,0,0|1,0,0]=3 2469 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [0,2,0,0,0,0|0,0,1]=3 2470 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [0,2,0,0,0,0|0,0,0]=2 2471 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [0,2,0,0,0,0|0,0,0]=2 2472 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [0,2,0,0,0,0|0,0,0]=2 2473 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [0,2,0,0,0,0|0,0,0]=2 2474 B11R1.279 Cc1cc(ncc1C=O)OC TS02257 [0,2,0,0,0,0|1,0,1]=4 2475 B11R1.279 c1cc(c(cc1C#N)Br)CBr TS33656 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.279 c1cc(c(cc1C#N)F)CO TS09373 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.279 c1cc(c(cc1CBr)F)C#N TS21598 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.279 c1cc(c(cc1CN)F)C#N TS09849 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.19 CC(C)(C)c1ccc(cc1)Br TS39998 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.19 CC(C)(C)c1ccc(cc1)Cl TS12633 [0,2,0,0,0,0|2,0,0]=4 2481 B11R1.19 CC(C)(C)c1ccc(cc1)I TS09205 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.19 CC(C)(C)c1ccc(cc1)N TS40788 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.19 CC(C)(C)c1ccc(cc1)O TS09914 [0,2,0,0,0,0|2,0,0]=4 2484 B11R1.19 CC(C)(C)c1ccc(cc1)S TS03197 [0,2,0,0,0,0|2,0,0]=4 2485 B11R1.19 CC(C)(C)c1ccc(cc1)[O-] TS50792 [0,2,0,0,0,0|2,0,0]=4 2486 B11R1.19 CC(C)(c1ccc(cc1)F)N TS10336 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.19 CC(C)(c1ccc(cc1)F)O TS10445 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br TS56621 [0,2,0,0,0,0|1,1,0]=4 2489 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl TS33159 [0,2,0,0,0,0|1,1,0]=4 2490 B11R1.19 CS(=O)(=O)c1ccc(cc1)F TS13477 [0,2,0,0,0,0|1,1,0]=4 2491 B11R1.19 CS(=O)(=O)c1ccc(cc1)N TS70784 [0,2,0,0,0,0|1,1,0]=4 2492 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [0,2,0,0,0,0|1,1,0]=4 2493 B11R1.19 C[N+](C)(C)c1ccc(cc1)N TS61180 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.19 C[Si](C)(C)c1ccc(cc1)Br TS52820 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.19 C[Si](C)(C)c1ccc(cc1)Cl TS15402 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.19 C[Si](C)(C)c1ccc(cc1)F TS12592 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.19 C[Si](C)(C)c1ccc(cc1)S TS15049 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.19 Cc1ccc(cc1)C(C)(C)C TS07507 [0,2,0,0,0,0|1,0,0]=3 2499 B11R1.19 Cc1ccc(cc1)C(F)(F)F TS09141 [0,2,0,0,0,0|2,0,0]=4 2500 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [0,2,0,0,0,0|1,1,0]=4 2501 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [0,2,0,0,0,0|0,1,0]=3 2502 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [0,2,0,0,0,0|1,1,0]=4 2503 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [0,2,0,0,0,0|1,1,0]=4 2504 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [0,2,0,0,0,0|1,1,0]=4 2505 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [0,2,0,0,0,0|1,1,0]=4 2506 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [0,2,0,0,0,0|1,1,0]=4 2507 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [0,2,0,0,0,0|1,1,0]=4 2508 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [0,2,0,0,0,0|1,1,0]=4 2509 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [0,2,0,0,0,0|1,1,0]=4 2510 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [0,2,0,0,0,0|1,1,0]=4 2511 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [0,2,0,0,0,0|1,1,0]=4 2512 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [0,2,0,0,0,0|1,1,0]=4 2513 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [0,2,0,0,0,0|1,1,0]=4 2514 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [0,2,0,0,0,0|1,1,0]=4 2515 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [0,2,0,0,0,0|1,1,0]=4 2516 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [0,2,0,0,0,0|1,1,0]=4 2517 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [0,2,0,0,0,0|1,1,0]=4 2518 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [0,2,0,0,0,0|1,1,0]=4 2519 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [0,2,0,0,0,0|1,1,0]=4 2520 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [0,2,0,0,0,0|1,1,0]=4 2521 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [0,2,0,0,0,0|1,1,0]=4 2522 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [0,2,0,0,0,0|1,1,0]=4 2523 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [0,2,0,0,0,0|1,1,0]=4 2524 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [0,2,0,0,0,0|1,1,0]=4 2525 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [0,2,0,0,0,0|1,1,0]=4 2526 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [0,2,0,0,0,0|1,1,0]=4 2527 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [0,2,0,0,0,0|1,1,0]=4 2528 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [0,2,0,0,0,0|1,1,0]=4 2529 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [0,2,0,0,0,0|1,1,0]=4 2530 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [0,2,0,0,0,0|1,1,0]=4 2531 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [0,2,0,0,0,0|1,1,0]=4 2532 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [0,2,0,0,0,0|1,1,0]=4 2533 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [0,2,0,0,0,0|1,1,0]=4 2534 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [0,2,0,0,0,0|1,1,0]=4 2535 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [0,2,0,0,0,0|1,1,0]=4 2536 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C TS42819 [0,2,0,0,0,0|1,0,0]=3 2538 B11R1.19 Cc1ccc(cc1)[Si](Cl)(Cl)Cl TS52218 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.21 B(c1ccc(c(c1)C)C)(O)O TS65766 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O TS65984 [0,2,0,0,0,0|2,0,0]=4 2541 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS40959 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.21 B(c1ccc(c(c1)N)C)(O)O TS50603 [0,2,0,0,0,0|2,0,0]=4 2543 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,2,0,0,0,0|2,0,0]=4 2547 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,2,0,0,0,0|2,0,0]=4 2548 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.21 CC(C)c1ccc(c(c1)Br)N TS39651 [0,2,0,0,0,0|2,0,0]=4 2556 B11R1.21 CC(C)c1ccc(c(c1)N)O TS41038 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.21 CC(C)c1ccc(c(c1)O)O TS41153 [0,2,0,0,0,0|2,0,0]=4 2558 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N TS51020 [0,2,0,0,0,0|2,0,0]=4 2559 B11R1.21 CC(c1ccc(c(c1)Cl)F)O TS13589 [0,2,0,0,0,0|2,0,0]=4 2560 B11R1.21 CC(c1ccc(c(c1)F)F)N TS41759 [0,2,0,0,0,0|2,0,0]=4 2561 B11R1.21 C[C@@H](c1ccc(c(c1)F)Cl)N TS20840 [0,2,0,0,0,0|2,0,0]=4 2562 B11R1.21 C[C@@H](c1ccc(c(c1)F)F)N TS41756 [0,2,0,0,0,0|2,0,0]=4 2563 B11R1.21 C[C@H](c1ccc(c(c1)Cl)F)N TS13420 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.21 C[C@H](c1ccc(c(c1)F)Cl)N TS20839 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.21 C[C@H](c1ccc(c(c1)F)F)N TS10832 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,2,0,0,0,0|2,0,0]=4 2567 B11R1.21 Cc1cc(ccc1Cl)[C@H](C)N TS45062 [0,2,0,0,0,0|2,0,0]=4 2568 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,2,0,0,0,0|2,0,0]=4 2569 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,2,0,0,0,0|1,0,0]=3 2571 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,2,0,0,0,0|2,0,0]=4 2572 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,2,0,0,0,0|2,0,0]=4 2573 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [0,2,0,0,0,0|2,0,0]=4 2574 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,2,0,0,0,0|2,0,0]=4 2575 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,2,0,0,0,0|2,0,0]=4 2576 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,2,0,0,0,0|1,0,0]=3 2577 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,2,0,0,0,0|2,0,0]=4 2581 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [0,2,0,0,0,0|2,0,0]=4 2582 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,2,0,0,0,0|2,0,0]=4 2583 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.21 Cc1ccc(cc1Cl)[C@@H](C)N TS45057 [0,2,0,0,0,0|1,0,0]=3 2585 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [0,2,0,0,0,0|2,0,0]=4 2586 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,2,0,0,0,0|2,0,0]=4 2587 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,2,0,0,0,0|1,0,0]=3 2588 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,2,0,0,0,0|2,0,0]=4 2589 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,2,0,0,0,0|2,0,0]=4 2590 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [0,2,0,0,0,0|2,0,0]=4 2592 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,2,0,0,0,0|2,0,0]=4 2593 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [0,2,0,0,0,0|2,0,0]=4 2594 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,2,0,0,0,0|2,0,0]=4 2595 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,2,0,0,0,0|2,0,0]=4 2596 B11R1.21 Cc1ccc(cc1N)C(C)C TS07607 [0,2,0,0,0,0|1,0,0]=3 2597 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [0,2,0,0,0,0|2,0,0]=4 2598 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,2,0,0,0,0|1,0,0]=3 2599 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,2,0,0,0,0|2,0,0]=4 2600 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [0,2,0,0,0,0|1,0,0]=3 2601 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [0,2,0,0,0,0|2,0,0]=4 2602 B11R1.166 B(c1ccc(cc1C)C)(O)O TS59922 [0,2,0,0,0,0|2,0,0]=4 2603 B11R1.166 B(c1ccc(cc1Cl)C)(O)O TS46381 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.166 B(c1ccc(cc1F)C)(O)O TS55343 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,2,0,0,0,0|2,0,0]=4 2606 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,2,0,0,0,0|2,0,0]=4 2607 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,2,0,0,0,0|2,0,0]=4 2608 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,2,0,0,0,0|2,0,0]=4 2609 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,2,0,0,0,0|2,0,0]=4 2610 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,2,0,0,0,0|2,0,0]=4 2611 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,2,0,0,0,0|2,0,0]=4 2612 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,2,0,0,0,0|2,0,0]=4 2613 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,2,0,0,0,0|2,0,0]=4 2614 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,2,0,0,0,0|2,0,0]=4 2615 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,2,0,0,0,0|2,0,0]=4 2616 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,2,0,0,0,0|2,0,0]=4 2617 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,2,0,0,0,0|2,0,0]=4 2618 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,2,0,0,0,0|2,0,0]=4 2619 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,2,0,0,0,0|2,0,0]=4 2620 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,2,0,0,0,0|2,0,0]=4 2621 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [0,2,0,0,0,0|2,0,0]=4 2622 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,2,0,0,0,0|2,0,0]=4 2623 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,2,0,0,0,0|2,0,0]=4 2624 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [0,2,0,0,0,0|2,0,0]=4 2625 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [0,2,0,0,0,0|2,0,0]=4 2626 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [0,2,0,0,0,0|2,0,0]=4 2627 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [0,2,0,0,0,0|2,0,0]=4 2628 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [0,2,0,0,0,0|2,0,0]=4 2629 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [0,2,0,0,0,0|2,0,0]=4 2630 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,2,0,0,0,0|2,0,0]=4 2631 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,2,0,0,0,0|2,0,0]=4 2632 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,2,0,0,0,0|2,0,0]=4 2633 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,2,0,0,0,0|2,0,0]=4 2634 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,2,0,0,0,0|2,0,0]=4 2635 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,2,0,0,0,0|2,0,0]=4 2636 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,2,0,0,0,0|2,0,0]=4 2637 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,2,0,0,0,0|2,0,0]=4 2638 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,2,0,0,0,0|1,0,0]=3 2639 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,2,0,0,0,0|2,0,0]=4 2640 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,2,0,0,0,0|2,0,0]=4 2641 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,2,0,0,0,0|1,0,0]=3 2642 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,2,0,0,0,0|1,0,0]=3 2643 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,2,0,0,0,0|2,0,0]=4 2644 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,2,0,0,0,0|2,0,0]=4 2645 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,2,0,0,0,0|2,0,0]=4 2646 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,2,0,0,0,0|2,0,0]=4 2647 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,2,0,0,0,0|2,0,0]=4 2648 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,2,0,0,0,0|2,0,0]=4 2649 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,2,0,0,0,0|2,0,0]=4 2650 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,2,0,0,0,0|2,0,0]=4 2651 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,2,0,0,0,0|2,0,0]=4 2652 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,2,0,0,0,0|1,0,0]=3 2653 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,2,0,0,0,0|2,0,0]=4 2654 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,2,0,0,0,0|2,0,0]=4 2655 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,2,0,0,0,0|1,0,0]=3 2656 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,2,0,0,0,0|1,0,0]=3 2657 B11R1.37 CNc1ccc(cc1C#N)Cl TS12317 [0,2,0,0,0,0|2,0,0]=4 2658 B11R1.37 COc1c(cc(cn1)Br)C#N TS89278 [0,2,0,0,0,0|2,0,0]=4 2659 B11R1.37 COc1c(cc(cn1)Br)C=O TS85282 [0,2,0,0,0,0|2,0,0]=4 2660 B11R1.37 COc1c(cc(cn1)Br)CN TS89747 [0,2,0,0,0,0|2,0,0]=4 2661 B11R1.37 COc1c(cc(cn1)Br)CO TS87797 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.37 COc1c(cc(cn1)F)C=O TS70567 [0,2,0,0,0,0|2,0,0]=4 2663 B11R1.37 COc1c(cc(cn1)F)CO TS03311 [0,2,0,0,0,0|2,0,0]=4 2664 B11R1.37 COc1cc(cnc1OC)Br TS49352 [0,2,0,0,0,0|2,0,0]=4 2665 B11R1.37 COc1ccc(cc1C#N)Cl TS32986 [0,2,0,0,0,0|1,0,0]=3 2666 B11R1.37 COc1ccc(cc1C#N)F TS71543 [0,2,0,0,0,0|1,0,0]=3 2667 B11R1.37 COc1ccc(cc1C#N)I TS29292 [0,2,0,0,0,0|1,0,0]=3 2668 B11R1.37 COc1ccc(cc1C=O)Br TS16974 [0,2,0,0,0,0|1,0,0]=3 2669 B11R1.37 COc1ccc(cc1C=O)Cl TS09829 [0,2,0,0,0,0|1,0,0]=3 2670 B11R1.37 COc1ccc(cc1C=O)F TS71541 [0,2,0,0,0,0|1,0,0]=3 2671 B11R1.37 COc1ccc(cc1C=O)I TS71572 [0,2,0,0,0,0|1,0,0]=3 2672 B11R1.37 COc1ccc(cc1CBr)F TS07834 [0,2,0,0,0,0|1,0,0]=3 2673 B11R1.37 COc1ccc(cc1CN)Cl TS45383 [0,2,0,0,0,0|1,0,0]=3 2674 B11R1.37 COc1ccc(cc1CO)Br TS07816 [0,2,0,0,0,0|1,0,0]=3 2675 B11R1.37 COc1ccc(cc1NN)Cl TS07826 [0,2,0,0,0,0|1,0,0]=3 2676 B11R1.37 COc1ccc(cc1OC)Br TS09621 [0,2,0,0,0,0|1,0,0]=3 2677 B11R1.37 COc1ccc(cc1OC)F TS41604 [0,2,0,0,0,0|1,0,0]=3 2678 B11R1.37 COc1ccc(cc1OC)I TS68773 [0,2,0,0,0,0|1,0,0]=3 2679 B11R1.37 COc1ccc(cc1OC)N TS02553 [0,2,0,0,0,0|1,0,0]=3 2680 B11R1.37 COc1ccc(cc1OC)N TS16248 [0,2,0,0,0,0|1,0,0]=3 2681 B11R1.37 COc1ccc(cc1OC)O TS65454 [0,2,0,0,0,0|1,0,0]=3 2682 B11R1.37 COc1ccc(cc1OC)S TS12826 [0,2,0,0,0,0|1,0,0]=3 2683 B11R1.37 COc1ccc(cc1[Mg]Br)F TS52885 [0,2,0,0,0,0|1,0,0]=3 2684 B11R1.37 COc1ccc(cc1[N+]#N)Cl TS38745 [0,2,0,0,0,0|1,0,0]=3 2685 B11R1.37 Cc1ccc(c(c1)C#N)C#N TS37567 [0,2,0,0,0,0|2,0,0]=4 2686 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [0,2,0,0,0,0|0,0,0]=2 2687 B11R1.277 COC1=CC(=O)C(=CC1=O)O TS10384 [0,2,0,0,0,0|1,0,0]=3 2688 B11R1.277 COc1cc(c(cc1Br)F)F TS50249 [0,2,0,0,0,0|1,0,0]=3 2689 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl TS21185 [0,2,0,0,0,0|1,0,0]=3 2690 B11R1.277 COc1cc(c(cc1Cl)Cl)N TS00609 [0,2,0,0,0,0|1,0,0]=3 2691 B11R1.277 COc1cc(c(cc1Cl)F)Br TS39526 [0,2,0,0,0,0|1,0,0]=3 2692 B11R1.277 CSc1cc(c(cc1Cl)Cl)Cl TS24417 [0,2,0,0,0,0|1,1,0]=4 2693 B11R1.277 Cc1cc(c(cc1Br)Br)OC TS54286 [0,2,0,0,0,0|1,0,0]=3 2694 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [0,2,0,0,0,0|1,0,0]=3 2695 B11R1.277 Cc1cc(c(cc1C)C#C)C TS07001 [0,2,0,0,0,0|1,0,1]=4 2696 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [0,2,0,0,0,0|2,0,0]=4 2697 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [0,2,0,0,0,0|0,0,0]=2 2698 B11R1.277 Cc1cc(c(cc1Cl)C=O)O TS45229 [0,2,0,0,0,0|2,0,0]=4 2699 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [0,2,0,0,0,0|0,0,0]=2 2700 B11R1.277 Cc1cc(c(cc1F)C#N)Br TS65033 [0,2,0,0,0,0|2,0,0]=4 2701 B11R1.277 Cc1cc(c(cc1F)C#N)F TS41235 [0,2,0,0,0,0|2,0,0]=4 2702 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [0,2,0,0,0,0|1,0,0]=3 2703 B11R1.278 COc1ccc(c(c1Br)F)F TS50251 [0,2,0,0,0,0|1,0,0]=3 2704 B11R1.278 COc1ccc(c(c1Cl)Cl)Cl TS21187 [0,2,0,0,0,0|1,0,0]=3 2705 B11R1.278 COc1ccc(c(c1F)F)Br TS50253 [0,2,0,0,0,0|1,0,0]=3 2706 B11R1.278 COc1ccc(c(c1F)F)F TS42384 [0,2,0,0,0,0|1,0,0]=3 2707 B11R1.278 COc1ccc(c(c1F)F)O TS42117 [0,2,0,0,0,0|1,0,0]=3 2708 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [0,2,0,0,0,0|1,0,0]=3 2709 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [0,2,0,0,0,0|1,0,0]=3 2710 B11R1.278 Cc1ccc(c(c1F)C)C=O TS00639 [0,2,0,0,0,0|2,0,0]=4 2711 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [0,2,0,0,0,0|2,0,0]=4 2712 B11R1.278 Cc1ccc(c(c1F)F)C=O TS10654 [0,2,0,0,0,0|2,0,0]=4 2713 B11R1.278 Cc1ccc(c(c1F)F)CBr TS23229 [0,2,0,0,0,0|2,0,0]=4 2714 B11R1.278 Cc1ccc(c(c1F)F)CN TS10830 [0,2,0,0,0,0|2,0,0]=4 2715 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [0,2,0,0,0,0|0,0,0]=2 2716 B11R1.278 Cn1c(=O)c(c(cn1)OC)Cl TS45871 [0,2,0,0,0,0|2,0,0]=4 2717 B11R1.464 COc1c(cc(cc1Br)Br)Br TS64456 [0,2,0,0,0,0|1,0,0]=3 2718 B11R1.464 COc1c(cc(cc1Br)Br)F TS34682 [0,2,0,0,0,0|1,0,0]=3 2719 B11R1.464 COc1c(cc(cc1Br)F)Br TS34681 [0,2,0,0,0,0|1,0,0]=3 2720 B11R1.464 COc1c(cc(cc1Br)F)F TS16840 [0,2,0,0,0,0|1,0,0]=3 2721 B11R1.464 COc1c(cc(cc1Cl)Br)F TS57283 [0,2,0,0,0,0|1,0,0]=3 2722 B11R1.464 COc1c(cc(cc1Cl)Cl)Cl TS21186 [0,2,0,0,0,0|1,0,0]=3 2723 B11R1.464 COc1c(cc(cc1F)F)F TS42382 [0,2,0,0,0,0|1,0,0]=3 2724 B11R1.464 Cc1c(c(cc(n1)Cl)Cl)OC TS90452 [0,2,0,0,0,0|2,0,0]=4 2725 B11R1.464 Cc1cc(c(c(c1)C)C#C)C TS07006 [0,2,0,0,0,0|1,0,1]=4 2726 B11R1.464 Cc1cc(c(c(c1)C)C#N)C TS07126 [0,2,0,0,0,0|2,0,0]=4 2727 B11R1.464 Cc1cc(c(c(c1)C)C=C)C TS40457 [0,2,0,0,0,0|1,0,1]=4 2728 B11R1.464 Cc1cc(c(c(c1)C)C=O)C TS07475 [0,2,0,0,0,0|2,0,0]=4 2729 B11R1.464 Cc1cc(c(c(c1)C)CBr)C TS44302 [0,2,0,0,0,0|2,0,0]=4 2730 B11R1.464 Cc1cc(c(c(c1)C)CCl)C TS12632 [0,2,0,0,0,0|2,0,0]=4 2731 B11R1.464 Cc1cc(c(c(c1)C)CN)C TS07602 [0,2,0,0,0,0|2,0,0]=4 2732 B11R1.464 Cc1cc(c(c(c1)C)CO)C TS09925 [0,2,0,0,0,0|2,0,0]=4 2733 B11R1.464 Cc1cc(c(c(c1)C)CS)C TS43139 [0,2,0,0,0,0|2,0,0]=4 2734 B11R1.464 Cc1cc(c(c(c1)C)NN)C TS15740 [0,2,0,0,0,0|2,0,0]=4 2735 B11R1.464 Cc1cc(c(c(c1)C)[Mg]Br)C TS50358 [0,2,0,0,0,0|2,0,0]=4 2736 B11R1.464 Cc1cc(c(c(c1)O)C=O)O TS10138 [0,2,0,0,0,0|2,0,0]=4 2737 B11R1.464 Cc1cc(cc(c1OC)C)Br TS21833 [0,2,0,0,0,0|1,0,0]=3 2738 B11R1.464 Cc1cc(cc(c1OC)C)I TS68560 [0,2,0,0,0,0|1,0,0]=3 2739 B11R1.464 Cc1cc(cc(c1OC)C)N TS10082 [0,2,0,0,0,0|1,0,0]=3 2740 B11R1.464 Cc1cc(cc(c1OC)C)S TS12579 [0,2,0,0,0,0|1,0,0]=3 2741 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [0,2,0,0,0,0|1,1,0]=4 2742 B11R1.14 COc1cc(c(c(c1)Br)O)N TS01768 [0,2,0,0,0,0|1,0,0]=3 2743 B11R1.14 COc1cc(c(c(c1)Br)O)N TS28695 [0,2,0,0,0,0|1,0,0]=3 2744 B11R1.14 COc1cc(c(c(c1)F)Br)F TS00015 [0,2,0,0,0,0|1,0,0]=3 2745 B11R1.14 COc1cc(c(c(c1)F)F)F TS42385 [0,2,0,0,0,0|1,0,0]=3 2746 B11R1.14 Cc1cc(cc(c1Br)C)OC TS21837 [0,2,0,0,0,0|1,0,0]=3 2747 B11R1.14 Cc1cc(cc(c1I)C)OC TS68561 [0,2,0,0,0,0|1,0,0]=3 2748 B11R1.14 Cc1cc(nc(c1N)Br)OC TS49210 [0,2,0,0,0,0|2,0,0]=4 2749 B11R1.280 CCc1ccc(c(c1)C=O)O TS65157 [0,2,0,0,0,0|2,0,0]=4 2750 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [0,2,0,0,0,0|1,0,0]=3 2751 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,2,0,0,0,0|2,0,0]=4 2752 B11R1.280 CNc1c(ccc(n1)OC)N TS24118 [0,2,0,0,0,0|2,0,0]=4 2753 B11R1.280 COc1cc(c(cn1)F)C=O TS41488 [0,2,0,0,0,0|2,0,0]=4 2754 B11R1.280 COc1cc(c(nc1)Cl)C#N TS85839 [0,2,0,0,0,0|2,0,0]=4 2755 B11R1.280 COc1cc(c(nc1)N)OC TS10430 [0,2,0,0,0,0|2,0,0]=4 2756 B11R1.280 COc1cc(ncc1N)OC TS10429 [0,2,0,0,0,0|2,0,0]=4 2757 B11R1.280 COc1ccc(c(c1)C#N)F TS60283 [0,2,0,0,0,0|1,0,0]=3 2758 B11R1.280 COc1ccc(c(c1)C#N)N TS47438 [0,2,0,0,0,0|1,0,0]=3 2759 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [0,2,0,0,0,0|1,0,0]=3 2760 B11R1.280 COc1ccc(c(c1)C=O)Br TS08350 [0,2,0,0,0,0|1,0,0]=3 2761 B11R1.280 COc1ccc(c(c1)C=O)F TS09303 [0,2,0,0,0,0|1,0,0]=3 2762 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [0,2,0,0,0,0|1,0,0]=3 2763 B11R1.280 COc1ccc(c(c1)CCl)F TS13600 [0,2,0,0,0,0|1,0,0]=3 2764 B11R1.280 COc1ccc(c(c1)CN)F TS51363 [0,2,0,0,0,0|1,0,0]=3 2765 B11R1.280 COc1ccc(c(c1)CO)Br TS49205 [0,2,0,0,0,0|1,0,0]=3 2766 B11R1.280 COc1ccc(c(c1)CO)Cl TS45564 [0,2,0,0,0,0|1,0,0]=3 2767 B11R1.280 COc1ccc(c(c1)CO)F TS41599 [0,2,0,0,0,0|1,0,0]=3 2768 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [0,2,0,0,0,0|1,0,0]=3 2769 B11R1.280 COc1ccc(c(c1)NN)F TS51559 [0,2,0,0,0,0|1,0,0]=3 2770 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [0,2,0,0,0,0|1,0,0]=3 2771 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [0,2,0,0,0,0|1,0,0]=3 2772 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [0,2,0,0,0,0|1,0,0]=3 2773 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [0,2,0,0,0,0|1,0,0]=3 2774 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [0,2,0,0,0,0|1,0,0]=3 2775 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [0,2,0,0,0,0|1,0,0]=3 2776 B11R1.280 COc1ccc(c(n1)OC)N TS17198 [0,2,0,0,0,0|2,0,0]=4 2777 B11R1.280 COc1ccc(c(n1)OC)N TS65843 [0,2,0,0,0,0|2,0,0]=4 2778 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [0,2,0,0,0,0|2,0,0]=4 2779 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [0,2,0,0,0,0|2,0,0]=4 2780 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [0,2,0,0,0,0|0,0,0]=2 2781 B9R1.3 Cc1cccc(c1Br)C TS47327 [0,0,1,1,0,0|2,0,0]=4 2782 B9R1.3 Cc1cccc(c1C)C TS07872 [0,0,1,1,0,0|1,0,1]=4 2783 B9R1.3 Cc1cccc(c1Cl)C TS37458 [0,0,1,1,0,0|2,0,0]=4 2784 B9R1.3 Cc1cccc(c1F)C TS09256 [0,0,1,1,0,0|2,0,0]=4 2785 B9R1.3 Cc1cccc(c1I)C TS53266 [0,0,1,1,0,0|2,0,0]=4 2786 B9R1.3 Cc1cccc(c1O)C TS04899 [0,0,1,1,0,0|2,0,0]=4 2787 B9R1.3 Cc1cccc(c1S)C TS06310 [0,0,1,1,0,0|2,0,0]=4 2788 B9R1.12 c1cc(oc1)C=CC=O TS32492 [0,0,1,1,0,0|1,0,1]=4 2789 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,1,0,0|1,0,0]=3 2790 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [0,1,0,1,0,0|1,0,0]=3 2791 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [0,1,0,1,0,0|1,0,0]=3 2792 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [0,1,0,1,0,0|1,0,0]=3 2793 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [0,1,0,1,0,0|1,0,0]=3 2794 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [0,1,0,1,0,0|1,0,0]=3 2795 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [0,1,0,1,0,0|1,0,0]=3 2796 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,1,0,1,0,0|1,0,0]=3 2797 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,1,0,1,0,0|1,0,0]=3 2798 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,1,0,1,0,0|0,0,0]=2 2799 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,1,0,1,0,0|1,0,1]=4 2800 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,1,0,1,0,0|1,0,1]=4 2801 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,1,0,1,0,0|0,1,1]=4 2802 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,1,0,1,0,0|1,0,1]=4 2803 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,1,0,1,0,0|0,0,1]=3 2804 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,1,0,1,0,0|2,0,0]=4 2805 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,1,0,1,0,0|2,0,0]=4 2806 B11R2.36 Cc1ccc2c(c1)non2 TS36810 [0,1,0,1,0,0|1,0,0]=3 2807 B11R2.36 Cc1ccc2c(c1)nsn2 TS09904 [0,1,0,1,0,0|1,1,0]=4 2808 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,1,0,1,0,0|1,0,1]=4 2809 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,1,0,1,0,0|1,0,1]=4 2810 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,1,0,1,0,0|1,0,1]=4 2811 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,1,0,1,0,0|1,0,1]=4 2812 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,1,0,1,0,0|2,0,0]=4 2813 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [0,1,0,1,0,0|2,0,0]=4 2814 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [0,1,0,1,0,0|1,0,0]=3 2815 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [0,1,0,1,0,0|2,0,0]=4 2816 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,1,0,1,0,0|1,0,1]=4 2817 B11R2.36 c1cc2c(cc1Br)non2 TS71410 [0,1,0,1,0,0|2,0,0]=4 2818 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [0,1,0,1,0,0|2,0,0]=4 2819 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [0,1,0,1,0,0|2,0,0]=4 2820 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [0,1,0,1,0,0|2,0,0]=4 2821 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [0,1,0,1,0,0|1,0,0]=3 2822 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [0,1,0,1,0,0|1,0,1]=4 2823 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [0,1,0,1,0,0|2,0,0]=4 2824 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [0,1,0,1,0,0|2,0,0]=4 2825 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [0,1,0,1,0,0|2,0,0]=4 2826 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [0,1,0,1,0,0|1,0,1]=4 2827 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [0,1,0,1,0,0|1,0,0]=3 2828 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [0,1,0,1,0,0|1,0,0]=3 2829 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,1,0,1,0,0|2,0,0]=4 2830 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [0,1,0,1,0,0|1,0,0]=3 2831 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [0,1,0,1,0,0|2,0,0]=4 2832 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [0,1,0,1,0,0|1,0,0]=3 2833 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [0,1,0,1,0,0|1,0,1]=4 2834 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,1,0,1,0,0|2,0,0]=4 2835 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,1,0,1,0,0|1,0,0]=3 2836 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [0,1,0,1,0,0|1,0,0]=3 2837 B11R2.36 c1cc2c(cc1O)non2 TS06043 [0,1,0,1,0,0|2,0,0]=4 2838 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,1,0,1,0,0|1,0,1]=4 2839 B11R2.36 c1cc2c(cco2)cc1N TS36754 [0,1,0,1,0,0|1,0,1]=4 2840 B7R0.2 CC(=CC(=O)OC)C TS08562 [0,0,1,0,1,0|1,0,1]=4 2841 B7R0.2 CC(=CC(=O)OC)N TS08575 [0,0,1,0,1,0|2,0,0]=4 2842 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,1,0|2,0,0]=4 2843 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,1,0|2,0,0]=4 2844 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,1,0|2,0,0]=4 2845 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,1,0|2,0,0]=4 2846 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,1,0|2,0,0]=4 2847 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,1,0|2,0,0]=4 2848 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,1,0|1,0,0]=3 2849 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,1,0|1,0,0]=3 2850 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,1,0|1,0,0]=3 2851 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,1,0|1,1,0]=4 2852 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,1,0|1,1,0]=4 2853 B7R1.2 Cc1c[nH]c(n1)C TS00643 [1,0,0,0,1,0|2,0,0]=4 2854 B7R1.2 Cc1cc([nH]c1)C TS00646 [1,0,0,0,1,0|1,0,0]=3 2855 B7R1.2 Cc1cc(cs1)Br TS70964 [1,0,0,0,1,0|2,0,0]=4 2856 B7R1.2 Cc1cc(n[nH]1)C TS65819 [1,0,0,0,1,0|2,0,0]=4 2857 B7R1.2 Cc1cc(no1)O TS31468 [1,0,0,0,1,0|2,0,0]=4 2858 B7R1.2 Cc1cc(on1)C TS08855 [1,0,0,0,1,0|2,0,0]=4 2859 B7R1.2 Cc1cc(sc1)C TS04334 [1,0,0,0,1,0|1,0,0]=3 2860 B7R1.2 Cc1ccc([nH]1)C TS59928 [1,0,0,0,1,0|1,0,0]=3 2861 B7R1.2 Cc1ccc(o1)C TS31370 [1,0,0,0,1,0|1,0,0]=3 2862 B7R1.2 Cc1ccc(s1)Br TS55129 [1,0,0,0,1,0|2,0,0]=4 2863 B7R1.2 Cc1ccc(s1)C TS04332 [1,0,0,0,1,0|1,0,0]=3 2864 B7R1.2 Cc1ccc(s1)Cl TS00916 [1,0,0,0,1,0|2,0,0]=4 2865 B7R1.2 Cc1ccc(s1)I TS23773 [1,0,0,0,1,0|2,0,0]=4 2866 B7R1.2 Cc1ccn(n1)C TS39993 [1,0,0,0,1,0|2,0,0]=4 2867 B7R1.2 Cc1cnc(s1)C TS32026 [1,0,0,0,1,0|2,0,0]=4 2868 B7R1.2 Cc1cnn(c1)C TS31378 [1,0,0,0,1,0|2,0,0]=4 2869 B7R1.2 Cc1coc(n1)C TS31396 [1,0,0,0,1,0|2,0,0]=4 2870 B7R1.2 Cc1csc(n1)C TS00648 [1,0,0,0,1,0|2,0,0]=4 2871 B7R1.2 Cn1cc[n+](c1)C TS07882 [1,0,0,0,1,0|2,0,0]=4 2872 B7R1.2 Cn1cc[n+](c1)C TS94116 [1,0,0,0,1,0|2,0,0]=4