0 B10R1.1 C=CCc1ccc(cc1)O TS36845 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.1 COCc1ccc(cc1)F TS37375 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,0,0,0,0,0|0,0,0]=0 27 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,0,0,0,0,0|0,0,2]=2 30 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,0,0,0,0,0|1,0,1]=2 32 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [0,0,0,0,0,0|1,1,1]=3 33 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,0,0,0,0,0|2,0,1]=3 35 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [0,0,0,0,0,0|2,0,2]=4 40 B10R1.1 c1cc(ccc1C=NO)F TS37276 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.1 c1cc(ccc1CC#N)F TS09126 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.1 c1cc(ccc1CC#N)I TS09719 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.1 c1cc(ccc1CC#N)N TS05748 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.1 c1cc(ccc1CC#N)N TS12627 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.1 c1cc(ccc1CC#N)O TS59576 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,0,0,0,0,0|1,0,0]=1 50 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,0,0,0,0,0|1,0,0]=1 52 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,0,0,0,0,0|2,0,1]=3 60 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,0,0,0,0,0|2,0,1]=3 62 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,0,0,0,0,0|2,0,1]=3 66 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,0,0,0,0,0|2,0,1]=3 68 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,0,0,0,0,0|2,0,1]=3 69 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,0,0,0,0,0|1,0,2]=3 70 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,0,0,0,0,0|1,0,2]=3 71 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,0,0,0,0,0|1,0,2]=3 72 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,0,0,0,0,0|1,0,2]=3 73 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,0,0,0,0,0|1,0,2]=3 74 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.1 c1cc(ccc1N=C=S)Br TS44460 [0,0,0,0,0,0|2,1,1]=4 86 B10R1.1 c1cc(ccc1N=C=S)Cl TS09684 [0,0,0,0,0,0|2,1,1]=4 87 B10R1.1 c1cc(ccc1N=C=S)F TS03101 [0,0,0,0,0,0|2,1,1]=4 88 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.1 c1cc(ncc1Br)CC#N TS59677 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.1 c1cc(ncc1Br)CCN TS88073 [0,0,0,0,0,0|3,0,1]=4 93 B10R1.1 c1cc(ncc1Br)CCO TS86702 [0,0,0,0,0,0|2,0,2]=4 94 B10R1.1 c1cc(ncc1CC#N)Cl TS00897 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.1 c1cc(ncc1N=C=O)Cl TS59955 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,0,0,0,0,0|1,0,2]=4 99 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,0,0,0,0,0|1,0,2]=4 101 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.1 CCc1ccc(cc1)F TS05030 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.1 CCc1ccc(cc1)I TS25158 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.1 CCc1ccc(cc1)N TS04870 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.1 CCc1ccc(cc1)O TS04905 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.1 CCc1ccc(cc1)S TS06298 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,0,0,0,0,0|1,0,1]=3 114 B9R1.1 CCc1ccc(nc1)C TS32477 [1,0,0,0,0,0|1,0,1]=3 115 B9R1.1 CCc1ccc(nc1)O TS04959 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.1 CN1C=CC(=CN1)CN TS89058 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 CNc1ccc(cc1)F TS36055 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.1 CNc1ccc(cc1)I TS32640 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 CNc1ccc(cc1)N TS04921 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 CNc1ccc(cc1)N TS17998 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.1 CNc1ccc(cc1)O TS04963 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.1 CNc1ccc(cc1)O TS78698 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.1 COc1ccc(cc1)F TS32969 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.1 COc1ccc(cc1)I TS59516 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.1 COc1ccc(cc1)N TS01634 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.1 COc1ccc(cc1)N TS11193 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.1 COc1ccc(cc1)N TS93025 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.1 COc1ccc(cc1)O TS02083 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.1 COc1ccc(cc1)S TS06486 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.1 CSc1ccc(cc1)F TS06687 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.1 CSc1ccc(cc1)I TS27986 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.1 CSc1ccc(cc1)N TS06394 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.1 CSc1ccc(cc1)O TS37396 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.1 CSc1ccc(cc1)S TS41710 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,0,0,0,0,0|0,0,2]=3 144 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,0,0,0,0,0|0,0,1]=2 146 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,0,0,0,0,0|0,0,0]=1 147 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,0,0,0,0,0|0,0,1]=2 151 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,0,0,0,0,0|0,1,0]=2 152 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.1 Cc1ccc(cn1)C#N TS03281 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 Cc1ccc(cn1)C=C TS55464 [1,0,0,0,0,0|1,0,1]=3 161 B9R1.1 Cc1ccc(cn1)C=O TS01266 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.1 Cc1ccc(cn1)CN TS88042 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 Cc1ccc(cn1)NN TS32994 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.1 Cc1ccc(cn1)NN TS94799 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 Cc1ccc(nc1)C#N TS55297 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.1 Cc1ccc(nc1)C=O TS01160 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.1 Cc1ccc(nc1)CN TS08057 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.1 Cc1ccc(nn1)CN TS87880 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 Cc1cnc(cn1)C=C TS04818 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 Cc1cnc(cn1)C=O TS88939 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.1 Cc1cnc(cn1)CCl TS85706 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.1 Cc1cnc(cn1)CN TS08244 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 Cc1cnc(nc1)C=O TS90871 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.1 Cc1cnc(nc1)CCl TS87948 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.1 Cc1cnc(nc1)CCl TS90870 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.1 Cc1cnc(nc1)CN TS88592 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 Cc1cnc(nc1)CO TS88936 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.1 Cc1ncc(cn1)C=O TS08763 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.1 Cc1ncc(cn1)CCl TS88571 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 Cc1ncc(cn1)CN TS86706 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.1 Cc1ncc(cn1)CO TS55462 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,0,0,0,0,0|2,0,1]=4 200 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,0,0,0,0,0|1,0,0]=2 202 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,0,0,0,0,0|1,0,0]=2 203 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,0,0,0,0,0|1,0,0]=2 204 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,0,0,0,0,0|1,0,0]=2 205 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,0,0,0,0,0|1,0,0]=2 206 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,0,0,0,0,0|1,0,0]=2 207 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,0,0,0,0,0|1,0,0]=2 208 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,0,0,0,0,0|1,0,0]=2 209 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.1 c1cc(ccc1CN)F TS03087 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.1 c1cc(ccc1CN)F TS42359 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.1 c1cc(ccc1CN)I TS07803 [1,0,0,0,0,0|2,0,0]=3 224 B9R1.1 c1cc(ccc1CN)I TS73917 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.1 c1cc(ccc1CN)N TS32510 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.1 c1cc(ccc1CN)O TS38524 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.1 c1cc(ccc1CN)O TS71170 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,0,0,0,0,0|1,0,1]=3 229 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,0,0,0,0,0|1,0,1]=3 230 B9R1.1 c1cc(ccc1CO)F TS36109 [1,0,0,0,0,0|1,0,1]=3 231 B9R1.1 c1cc(ccc1CO)I TS02234 [1,0,0,0,0,0|1,0,1]=3 232 B9R1.1 c1cc(ccc1CO)N TS70914 [1,0,0,0,0,0|1,0,1]=3 233 B9R1.1 c1cc(ccc1CO)O TS46479 [1,0,0,0,0,0|1,0,1]=3 234 B9R1.1 c1cc(ccc1CO)S TS37388 [1,0,0,0,0,0|1,0,1]=3 235 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,0,0,0,0,0|1,1,0]=3 236 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,0,0,0,0,0|1,1,0]=3 237 B9R1.1 c1cc(ccc1CS)F TS06684 [1,0,0,0,0,0|1,1,0]=3 238 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.1 c1cc(ccc1NN)I TS53552 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.1 c1cc(ncc1Br)C=O TS71427 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.1 c1cc(ncc1Br)CO TS71442 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.1 c1cc(ncc1C=O)Br TS16478 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [1,0,0,0,0,0|2,0,0]=3 252 B9R1.1 c1cc(ncc1C=O)F TS01040 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.1 c1cc(ncc1C=O)N TS87752 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.1 c1cc(ncc1C=O)O TS55611 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.1 c1cc(ncc1CBr)F TS90058 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.1 c1cc(ncc1CCl)F TS86320 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.1 c1cc(ncc1CN)Cl TS71379 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.1 c1cc(ncc1CN)F TS87785 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.1 c1cc(ncc1CO)F TS85126 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.1 c1cc(ncc1CO)N TS46564 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.1 c1cc(ncc1F)C=O TS60090 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.1 c1cc(ncc1F)CO TS88541 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.1 c1cc(ncc1N)CN TS32573 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.1 c1cc(ncc1O)C=O TS03343 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.1 c1cn(=O)ccc1C=O TS32549 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.1 c1cn(=O)ccc1CO TS59701 [1,0,0,0,0,0|2,0,1]=4 274 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|1,0,1]=3 275 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|1,0,0]=2 277 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|1,0,2]=4 279 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|1,0,1]=3 280 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|2,0,1]=4 281 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|1,0,1]=3 282 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|2,0,1]=4 284 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|2,0,1]=4 285 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|2,0,1]=4 286 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|2,0,0]=3 292 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|2,0,0]=3 296 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 297 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|2,0,1]=4 298 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|2,0,1]=4 299 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|2,0,1]=4 300 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|1,0,2]=4 301 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.8 c1cc(cnc1)N=C=O TS32413 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 305 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,1]=3 306 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,1]=3 307 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|1,0,1]=3 308 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|1,0,1]=3 311 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,1]=3 312 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,1]=3 313 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,1]=3 314 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|1,0,1]=3 315 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|1,0,1]=3 316 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|0,0,2]=3 317 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|0,1,1]=3 318 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,1]=3 319 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|1,0,1]=3 322 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|1,0,1]=3 323 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|1,0,1]=3 326 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|1,1,1]=4 327 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|1,0,0]=2 329 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|2,0,1]=4 330 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,1]=4 332 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|2,0,1]=4 333 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,1]=4 334 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,0,0,0,0,0|2,0,1]=4 335 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,1]=4 336 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|2,0,1]=4 337 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|2,0,1]=4 338 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|1,0,2]=4 339 B9R1.8 c1ccnc(c1)CNN TS87756 [1,0,0,0,0,0|3,0,0]=4 340 B9R1.8 c1ccnc(c1)NC=O TS32499 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|2,0,1]=4 342 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|1,0,2]=4 343 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|1,1,1]=4 344 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|1,1,1]=4 345 B9R1.8 c1cnccc1CNN TS85585 [1,0,0,0,0,0|3,0,0]=4 346 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [0,1,0,0,0,0|2,0,1]=4 350 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.1 CCCCc1ccc(cc1)C TS07510 [0,1,0,0,0,0|1,0,1]=3 352 B11R1.1 CCCCc1ccc(cc1)I TS29429 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.1 CCCCc1ccc(cc1)N TS07605 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.1 CCCCc1ccc(cc1)O TS40895 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.1 CCCCc1ccc(cc1)S TS43140 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.1 CCCCc1ccc(nc1)C TS40771 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.1 CCCOc1ccc(cc1)N TS10071 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.1 CCCOc1ccc(cc1)O TS71268 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.1 CCNCc1ccc(cc1)F TS10337 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.1 CNCCc1ccc(cc1)F TS10330 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.1 CNCCc1ccc(cc1)N TS09940 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.1 CNCCc1ccc(cc1)O TS94477 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.1 COCCc1ccc(cc1)O TS10182 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [0,1,0,0,0,0|0,0,0]=1 370 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [0,1,0,0,0,0|0,0,2]=3 371 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.1 Cc1ccc(cc1)CN=C=O TS07342 [0,1,0,0,0,0|0,0,1]=2 373 B11R1.1 Cc1ccc(cc1)NCC#C TS07117 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.1 Cc1ccc(cc1)NN=NC TS07576 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.1 Cc1ccc(cc1)NNC=O TS09888 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [0,1,0,0,0,0|1,0,1]=3 377 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [0,1,0,0,0,0|0,0,0]=1 379 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [0,1,0,0,0,0|1,0,1]=3 380 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [0,1,0,0,0,0|0,0,2]=3 381 B11R1.1 Cc1ccc(cc1)SCC#N TS60249 [0,1,0,0,0,0|1,0,1]=3 382 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.1 c1cc(ccc1C=CC#N)F TS07310 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.1 c1cc(ccc1C=CC#N)O TS07078 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.1 c1cc(ccc1C=CC=O)Br TS21058 [0,1,0,0,0,0|1,0,1]=3 387 B11R1.1 c1cc(ccc1C=CC=O)Cl TS12306 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.1 c1cc(ccc1C=CC=O)F TS03090 [0,1,0,0,0,0|1,0,1]=3 389 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.1 c1cc(ccc1CCCN)O TS10075 [0,1,0,0,0,0|2,0,1]=4 394 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [0,1,0,0,0,0|1,0,2]=4 395 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [0,1,0,0,0,0|1,0,2]=4 396 B11R1.1 c1cc(ccc1CCCO)O TS02185 [0,1,0,0,0,0|1,0,2]=4 397 B11R1.1 c1cc(ccc1CN=C=O)F TS40983 [0,1,0,0,0,0|1,0,1]=3 398 B11R1.1 c1cc(ccc1CN=C=S)Cl TS15199 [0,1,0,0,0,0|1,1,1]=4 399 B11R1.1 c1cc(ccc1CN=C=S)F TS03089 [0,1,0,0,0,0|1,1,1]=4 400 B11R1.1 c1cc(ccc1F)SCC#N TS12398 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.1 c1cc(ccc1N)NCCO TS62844 [0,1,0,0,0,0|1,0,2]=4 402 B11R1.1 c1cc(ccc1N)NNC=O TS10042 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.1 c1cc(ccc1NCCO)O TS10316 [0,1,0,0,0,0|1,0,2]=4 404 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.1 c1cc(ccc1OCC#N)Cl TS12430 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.1 c1cc(ccc1OCC#N)F TS40982 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.1 c1cc(ccc1OCCF)I TS73463 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [0,1,0,0,0,0|1,0,2]=4 415 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [0,1,0,0,0,0|1,0,2]=4 416 B11R1.1 c1cc(ccc1SCC#N)Cl TS15203 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.1 c1cc(ccc1SCCN)Br TS30597 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.1 c1cc(ccc1SCCN)Cl TS15882 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.1 c1cc(ccc1SCCO)Cl TS16097 [0,1,0,0,0,0|1,0,2]=4 420 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,0,0,0,0|1,0,0]=2 421 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,0,0,0,0|1,0,0]=2 422 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,0,0,0,0|1,0,0]=2 423 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,0,0,0,0|1,0,0]=2 424 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,0,0,0,0|0,0,0]=1 448 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,1,0,0,0,0|0,0,0]=1 449 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,1,0,0,0,0|0,0,0]=1 450 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,1,0,0,0,0|0,1,0]=2 451 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,1,0,0,0,0|0,0,1]=2 452 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,1,0,0,0,0|1,1,0]=3 456 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,1,0,0,0,0|1,0,0]=2 458 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,1,0,0,0,0|1,1,0]=3 459 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.20 c1c(cnc(n1)CC(=O)O)Br TS87052 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,1,0,0,0,0|2,0,0]=3 464 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,1,0,0,0,0|1,0,0]=2 466 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,1,0,0,0,0|1,0,0]=2 474 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,1,0,0,0,0|1,1,0]=3 476 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,1,0,0,0,0|2,1,0]=4 485 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,1,0,0,0,0|2,1,0]=4 486 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,1,0,0,0,0|2,1,0]=4 487 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,1,0,0,0,0|2,1,0]=4 488 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,1,0,0,0,0|2,1,0]=4 492 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,1,0,0,0,0|2,1,0]=4 493 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [0,1,0,0,0,0|2,0,1]=4 502 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,1,0,0,0,0|1,0,2]=4 505 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,1,0,0,0,0|1,0,2]=4 506 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,1,0,0,0,0|0,0,1]=2 507 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,0|1,0,2]=4 508 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,0|1,0,2]=4 509 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,0|1,0,2]=4 510 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,0|1,0,2]=4 511 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,0|0,0,3]=4 512 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,0|2,0,1]=4 513 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,0|1,0,2]=4 515 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,1,0,0,0,0|0,0,0]=1 517 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,1,0,0,0,0|1,0,1]=3 519 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,1,0,0,0,0|1,0,1]=3 520 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,1,0,0,0,0|1,0,1]=3 521 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,1,0,0,0,0|1,0,1]=3 522 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,1,0,0,0,0|1,0,1]=3 523 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,1,0,0,0,0|1,0,1]=3 524 B11R1.22 c1cc(ccc1C(C#N)N)F TS07933 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,1,0,0,0,0|1,0,2]=4 533 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,1,0,0,0,0|2,0,1]=4 534 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,1,0,0,0,0|2,0,1]=4 535 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [0,1,0,0,0,0|1,0,2]=4 538 B11R1.81 Cc1cc(ccc1N=C=O)Br TS21238 [0,1,0,0,0,0|2,0,1]=4 539 B11R1.81 Cc1cc(ccc1N=C=O)Cl TS43271 [0,1,0,0,0,0|2,0,1]=4 540 B11R1.81 Cc1ccc(c(c1)Br)N=C=S TS52594 [0,1,0,0,0,0|1,1,1]=4 541 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [0,1,0,0,0,0|1,0,1]=3 542 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [0,1,0,0,0,0|1,0,1]=3 543 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [0,1,0,0,0,0|0,0,2]=3 544 B11R1.81 Cc1ccc(c(c1)C)N=C=O TS40523 [0,1,0,0,0,0|1,0,1]=3 545 B11R1.81 Cc1ccc(c(c1)C)N=C=S TS42627 [0,1,0,0,0,0|1,1,1]=4 546 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [0,1,0,0,0,0|1,0,0]=2 547 B11R1.81 Cc1ccc(c(c1)Cl)N=C=S TS15200 [0,1,0,0,0,0|1,1,1]=4 548 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [0,1,0,0,0,0|1,0,1]=3 549 B11R1.81 Cc1ccc(c(c1)F)N=C=S TS12395 [0,1,0,0,0,0|1,1,1]=4 550 B11R1.81 [C-]#[N+]Cc1ccc(cc1F)Br TS21594 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.81 c1cc(c(cc1Br)F)CC#N TS16942 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N TS48827 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [0,1,0,0,0,0|1,0,2]=4 557 B11R1.81 c1cc(c(cc1Cl)Cl)CNN TS86264 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.81 c1cc(c(cc1Cl)Cl)CON TS24614 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=O TS15897 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.81 c1cc(c(cc1Cl)F)CC#N TS03041 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.81 c1cc(c(cc1F)Cl)CC#N TS02688 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [0,1,0,0,0,0|1,0,0]=2 563 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [0,1,0,0,0,0|1,0,2]=4 564 B11R1.81 c1cc(c(cc1F)Cl)CNN TS87366 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.81 c1cc(c(cc1F)Cl)CON TS93678 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.81 c1cc(c(cc1F)F)CC#N TS00633 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.81 c1cc(c(cc1F)F)N=C=O TS09237 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [0,1,0,0,0,0|1,0,1]=3 570 B11R1.83 CCCc1ccc(cc1)C#C TS08750 [0,1,0,0,0,0|1,0,2]=4 571 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,1,0,0,0,0|1,0,2]=4 572 B11R1.83 CCCc1ccc(cc1)CN TS07601 [0,1,0,0,0,0|1,0,1]=3 573 B11R1.83 CCCc1ccc(cc1)NN TS15743 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.83 CCCc1ccc(cc1)OC TS40915 [0,1,0,0,0,0|1,0,1]=3 575 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.83 CCOc1ccc(cc1)CO TS10188 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.83 CCc1ccc(cc1)CC#N TS07123 [0,1,0,0,0,0|1,0,1]=3 579 B11R1.83 CCc1ccc(cc1)CNC TS40780 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.83 CCc1ccc(cc1)N=C=O TS40535 [0,1,0,0,0,0|1,0,1]=3 581 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.83 CCc1ccc(nc1)CCO TS10081 [0,1,0,0,0,0|1,0,2]=4 583 B11R1.83 CNCc1ccc(cc1)C#N TS40437 [0,1,0,0,0,0|2,0,1]=4 584 B11R1.83 CNCc1ccc(cc1)OC TS03152 [0,1,0,0,0,0|2,0,0]=3 585 B11R1.83 CNCc1ccc(cc1)OC TS03153 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [0,1,0,0,0,0|1,0,1]=3 587 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [0,1,0,0,0,0|1,0,1]=3 588 B11R1.83 COc1ccc(cc1)CC#N TS39555 [0,1,0,0,0,0|1,0,1]=3 589 B11R1.83 COc1ccc(cc1)CC=C TS07478 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.83 COc1ccc(cc1)CC=O TS09869 [0,1,0,0,0,0|0,0,0]=1 591 B11R1.83 COc1ccc(cc1)CCCl TS12933 [0,1,0,0,0,0|1,0,1]=3 592 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,1,0,0,0,0|0,0,2]=3 593 B11R1.83 COc1ccc(cc1)CNN TS87992 [0,1,0,0,0,0|2,0,0]=3 594 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [0,1,0,0,0,0|2,0,0]=3 596 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [0,1,0,0,0,0|1,0,1]=3 597 B11R1.83 COc1ccc(cc1)N=C=S TS42930 [0,1,0,0,0,0|1,1,1]=4 598 B11R1.83 COc1ccc(cc1)NC=O TS41013 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.83 CSc1ccc(cc1)N=C=O TS42925 [0,1,0,0,0,0|1,0,1]=3 600 B11R1.83 c1cc(ccc1C#N)N=C=O TS40152 [0,1,0,0,0,0|1,0,2]=4 601 B11R1.83 c1cc(ccc1CC#N)C#N TS37566 [0,1,0,0,0,0|1,0,2]=4 602 B11R1.83 c1cc(ccc1CCN)CO TS16390 [0,1,0,0,0,0|1,0,1]=3 603 B11R1.83 c1cc(ccc1CCl)N=C=O TS43279 [0,1,0,0,0,0|1,0,1]=3 604 B11R1.192 C=CCc1ccc(c(c1)Cl)F TS45245 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.192 C=CCc1ccc(c(c1)F)Cl TS45247 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.192 C=CCc1ccc(c(c1)F)F TS10400 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [0,1,0,0,0,0|1,0,2]=4 609 B11R1.192 Cc1ccc(cc1C)C=NO TS07573 [0,1,0,0,0,0|1,0,2]=4 610 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [0,1,0,0,0,0|1,0,1]=3 611 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [0,1,0,0,0,0|1,0,1]=3 612 B11R1.192 Cc1ccc(cc1C)N=C=O TS40533 [0,1,0,0,0,0|1,0,1]=3 613 B11R1.192 Cc1ccc(cc1C)N=C=S TS42616 [0,1,0,0,0,0|1,1,1]=4 614 B11R1.192 Cc1ccc(cc1Cl)N=C=O TS12434 [0,1,0,0,0,0|1,0,1]=3 615 B11R1.192 Cc1ccc(cc1Cl)N=C=S TS15204 [0,1,0,0,0,0|1,1,1]=4 616 B11R1.192 Cc1ccc(cc1F)CC#N TS02759 [0,1,0,0,0,0|1,0,1]=3 617 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [0,1,0,0,0,0|1,0,0]=2 618 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [0,1,0,0,0,0|0,0,2]=3 619 B11R1.192 Cc1ccc(cc1F)N=C=S TS12388 [0,1,0,0,0,0|1,1,1]=4 620 B11R1.192 [C-]#[N+]Cc1ccc(c(c1)Br)F TS21595 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl TS60316 [0,1,0,0,0,0|2,0,1]=4 622 B11R1.192 c1cc(c(cc1CC#N)Cl)F TS02689 [0,1,0,0,0,0|2,0,1]=4 623 B11R1.192 c1cc(c(cc1CC#N)F)Cl TS07781 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.192 c1cc(c(cc1CC#N)F)F TS41239 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS51014 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS77162 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [0,1,0,0,0,0|1,0,2]=4 631 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [0,1,0,0,0,0|1,0,2]=4 632 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [0,1,0,0,0,0|1,0,2]=4 633 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [0,1,0,0,0,0|1,0,2]=4 634 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [0,1,0,0,0,0|1,0,2]=4 635 B11R1.192 c1cc(c(cc1CO[NH3+])Cl)Cl TS24615 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.192 c1cc(c(cc1N=C=O)Cl)Cl TS15894 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.192 c1cc(c(cc1N=C=O)Cl)F TS13063 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.192 c1cc(c(cc1N=C=O)F)F TS10550 [0,1,0,0,0,0|2,0,1]=4 639 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [0,0,0,1,0,0|1,0,2]=4 640 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [0,0,0,1,0,0|1,0,2]=4 641 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [0,0,0,1,0,0|1,0,2]=4 642 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [0,0,0,1,0,0|1,0,2]=4 643 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [0,0,0,1,0,0|1,0,2]=4 644 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [0,0,0,1,0,0|1,0,2]=4 645 B11R2.36 Cc1cc2c(cc[nH]2)cn1 TS05742 [0,0,0,1,0,0|2,0,1]=4 646 B11R2.36 Cc1cc2c(cc[nH]2)nc1 TS86014 [0,0,0,1,0,0|2,0,1]=4 647 B11R2.36 Cc1cc2cc[nH]c2nc1 TS36683 [0,0,0,1,0,0|3,0,0]=4 648 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,0,0,1,0,0|2,0,1]=4 649 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,0,0,1,0,0|1,0,1]=3 650 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,0,0,1,0,0|1,0,2]=4 651 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,0,0,1,0,0|2,0,0]=3 652 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,0,0,1,0,0|2,0,0]=3 653 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,0,0,1,0,0|2,0,0]=3 654 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,0,0,1,0,0|3,0,0]=4 655 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [0,0,0,1,0,0|2,0,0]=3 656 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,0,0,1,0,0|3,0,0]=4 657 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,0,0,1,0,0|3,0,0]=4 658 B11R2.36 Cc1ccc2c(c1)non2 TS36810 [0,0,0,1,0,0|3,0,0]=4 659 B11R2.36 Cc1ccc2c(c1)nsn2 TS09904 [0,0,0,1,0,0|3,0,0]=4 660 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [0,0,0,1,0,0|1,0,1]=3 661 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,0,0,1,0,0|1,1,0]=3 662 B11R2.36 Cc1ccc2c(n1)cc[nH]2 TS05745 [0,0,0,1,0,0|3,0,0]=4 663 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,0,0,1,0,0|1,0,1]=3 664 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,0,0,1,0,0|1,0,1]=3 665 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,0,0,1,0,0|2,0,1]=4 666 B11R2.36 Cc1ccc2nccn2c1 TS05746 [0,0,0,1,0,0|3,0,0]=4 667 B11R2.36 Cc1ccn2ccnc2c1 TS05739 [0,0,0,1,0,0|2,0,1]=4 668 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,0,0,1,0,0|2,0,1]=4 669 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [0,0,0,1,0,0|2,0,1]=4 670 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [0,0,0,1,0,0|2,0,1]=4 671 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [0,0,0,1,0,0|2,0,1]=4 672 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [0,0,0,1,0,0|2,0,1]=4 673 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,0,0,1,0,0|2,0,0]=3 674 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [0,0,0,1,0,0|3,0,0]=4 675 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [0,0,0,1,0,0|3,0,0]=4 676 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [0,0,0,1,0,0|3,0,0]=4 677 B11R2.36 c1cc2c(cc1Br)ocn2 TS55557 [0,0,0,1,0,0|2,0,1]=4 678 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [0,0,0,1,0,0|2,1,0]=4 679 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [0,0,0,1,0,0|2,0,0]=3 680 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [0,0,0,1,0,0|2,0,1]=4 681 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [0,0,0,1,0,0|2,0,1]=4 682 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [0,0,0,1,0,0|3,0,0]=4 683 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [0,0,0,1,0,0|3,0,0]=4 684 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [0,0,0,1,0,0|3,0,0]=4 685 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [0,0,0,1,0,0|2,1,0]=4 686 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [0,0,0,1,0,0|2,0,0]=3 687 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [0,0,0,1,0,0|3,0,0]=4 688 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [0,0,0,1,0,0|2,0,1]=4 689 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [0,0,0,1,0,0|3,0,0]=4 690 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [0,0,0,1,0,0|3,0,0]=4 691 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,0,0,1,0,0|2,0,1]=4 692 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [0,0,0,1,0,0|2,0,1]=4 693 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [0,0,0,1,0,0|3,0,0]=4 694 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [0,0,0,1,0,0|3,0,0]=4 695 B11R2.36 c1cc2c(cc1N)ncs2 TS09908 [0,0,0,1,0,0|3,0,0]=4 696 B11R2.36 c1cc2c(cc1N)ocn2 TS01204 [0,0,0,1,0,0|2,0,1]=4 697 B11R2.36 c1cc2c(cc1N)scn2 TS01203 [0,0,0,1,0,0|2,1,0]=4 698 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,0,0,1,0,0|2,0,1]=4 699 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [0,0,0,1,0,0|3,0,0]=4 700 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [0,0,0,1,0,0|3,0,0]=4 701 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [0,0,0,1,0,0|3,0,0]=4 702 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [0,0,0,1,0,0|3,0,0]=4 703 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [0,0,0,1,0,0|3,0,0]=4 704 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [0,0,0,1,0,0|3,0,0]=4 705 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [0,0,0,1,0,0|3,0,0]=4 706 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [0,0,0,1,0,0|3,0,0]=4 707 B11R2.36 c1cc2c(cco2)cc1N TS36754 [0,0,0,1,0,0|3,0,0]=4 708 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [0,0,0,1,0,0|3,0,0]=4 709 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [0,0,0,1,0,0|3,0,0]=4 710 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [0,0,0,1,0,0|3,0,0]=4 711 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [0,0,0,1,0,0|3,0,0]=4 712 B9R1.7 Cc1cc(sc1)N=C=O TS02012 [0,0,0,0,1,0|2,0,1]=4 713 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 714 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,1]=3 715 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|1,0,1]=4 716 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|1,0,1]=4 717 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|1,0,1]=4 718 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,1]=4 719 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,1]=4 720 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,1]=3 721 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,1]=4 722 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,1]=4 723 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,1]=4 724 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,1]=4 725 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,1]=4 726 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,1]=4 727 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,1]=4 728 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,1]=4 729 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,1]=4 730 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,1]=4 731 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 732 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|2,0,0]=4 733 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 735 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|2,0,0]=4 739 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|1,0,1]=4 740 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|1,0,1]=4 741 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 743 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 744 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,0]=2 745 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 746 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 747 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 748 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,0]=3 749 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,0]=3 750 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|0,0,1]=3 751 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|0,1,0]=3 752 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,0]=3 753 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,0]=3 754 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 755 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 756 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 757 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 758 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,1]=4 759 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,1]=4 760 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 761 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 762 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 763 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 764 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 765 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 766 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 767 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 768 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 769 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 770 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 771 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|2,0,0]=4 772 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|1,0,1]=4 773 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|1,0,1]=4 774 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|1,1,0]=4 775 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 776 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 777 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 778 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 779 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|2,0,0]=4 781 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|1,0,1]=4 782 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|1,0,1]=4 783 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|2,0,0]=4 784 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 785 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [2,0,0,0,0,0|1,0,0]=3 786 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [2,0,0,0,0,0|1,0,0]=3 787 B8R1.3 Cc1cc[n+](cc1)C TS25680 [2,0,0,0,0,0|1,0,0]=3 788 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [2,0,0,0,0,0|1,0,0]=3 789 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [2,0,0,0,0,0|2,0,0]=4 790 B8R1.3 Cc1ccc(cc1)Br TS09620 [2,0,0,0,0,0|1,0,0]=3 791 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|0,0,0]=2 792 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|0,0,0]=2 793 B8R1.3 Cc1ccc(cc1)Cl TS39593 [2,0,0,0,0,0|1,0,0]=3 794 B8R1.3 Cc1ccc(cc1)F TS31829 [2,0,0,0,0,0|1,0,0]=3 795 B8R1.3 Cc1ccc(cc1)I TS07804 [2,0,0,0,0,0|1,0,0]=3 796 B8R1.3 Cc1ccc(cc1)I TS67797 [2,0,0,0,0,0|1,0,0]=3 797 B8R1.3 Cc1ccc(cc1)N TS04112 [2,0,0,0,0,0|1,0,0]=3 798 B8R1.3 Cc1ccc(cc1)N TS40127 [2,0,0,0,0,0|1,0,0]=3 799 B8R1.3 Cc1ccc(cc1)O TS05157 [2,0,0,0,0,0|0,0,1]=3 800 B8R1.3 Cc1ccc(cc1)O TS94395 [2,0,0,0,0,0|0,0,1]=3 801 B8R1.3 Cc1ccc(cc1)P TS32593 [2,0,0,0,0,0|1,0,0]=3 802 B8R1.3 Cc1ccc(cc1)S TS39763 [2,0,0,0,0,0|0,1,0]=3 803 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [2,0,0,0,0,0|0,1,0]=3 804 B8R1.3 Cc1ccc(cn1)Br TS09799 [2,0,0,0,0,0|2,0,0]=4 805 B8R1.3 Cc1ccc(cn1)Cl TS71507 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.3 Cc1ccc(cn1)F TS03302 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.3 Cc1ccc(cn1)I TS71574 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|1,0,1]=4 810 B8R1.3 Cc1ccc(nc1)Br TS55127 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.3 Cc1ccc(nc1)C TS47280 [2,0,0,0,0,0|1,0,0]=3 812 B8R1.3 Cc1ccc(nc1)Cl TS00914 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.3 Cc1ccc(nc1)F TS01010 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|2,0,0]=4 816 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|1,0,1]=4 817 B8R1.3 Cc1ccc(nc1)S TS05105 [2,0,0,0,0,0|1,1,0]=4 818 B8R1.3 Cc1ccc(nn1)C TS94711 [2,0,0,0,0,0|2,0,0]=4 819 B8R1.3 Cc1ccn(=O)cc1 TS09774 [2,0,0,0,0,0|1,0,0]=3 820 B8R1.3 Cc1cnc(cn1)C TS47279 [2,0,0,0,0,0|2,0,0]=4 821 B8R1.3 c1cc(ccc1Br)Br TS07885 [2,0,0,0,0,0|2,0,0]=4 822 B8R1.3 c1cc(ccc1Br)I TS00413 [2,0,0,0,0,0|2,0,0]=4 823 B8R1.3 c1cc(ccc1Cl)Br TS09601 [2,0,0,0,0,0|2,0,0]=4 824 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [2,0,0,0,0,0|2,0,0]=4 825 B8R1.3 c1cc(ccc1Cl)I TS64993 [2,0,0,0,0,0|2,0,0]=4 826 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [2,0,0,0,0,0|2,0,0]=4 827 B8R1.3 c1cc(ccc1F)Br TS09602 [2,0,0,0,0,0|2,0,0]=4 828 B8R1.3 c1cc(ccc1F)Cl TS09203 [2,0,0,0,0,0|2,0,0]=4 829 B8R1.3 c1cc(ccc1F)F TS59891 [2,0,0,0,0,0|2,0,0]=4 830 B8R1.3 c1cc(ccc1F)I TS39508 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.3 c1cc(ccc1F)S TS05333 [2,0,0,0,0,0|1,1,0]=4 832 B8R1.3 c1cc(ccc1F)S TS12288 [2,0,0,0,0,0|1,1,0]=4 833 B8R1.3 c1cc(ccc1I)I TS46809 [2,0,0,0,0,0|2,0,0]=4 834 B8R1.3 c1cc(ccc1N)Br TS70992 [2,0,0,0,0,0|2,0,0]=4 835 B8R1.3 c1cc(ccc1N)Cl TS42659 [2,0,0,0,0,0|2,0,0]=4 836 B8R1.3 c1cc(ccc1N)Cl TS71059 [2,0,0,0,0,0|2,0,0]=4 837 B8R1.3 c1cc(ccc1N)F TS71137 [2,0,0,0,0,0|2,0,0]=4 838 B8R1.3 c1cc(ccc1N)I TS71193 [2,0,0,0,0,0|2,0,0]=4 839 B8R1.3 c1cc(ccc1N)N TS38978 [2,0,0,0,0,0|2,0,0]=4 840 B8R1.3 c1cc(ccc1N)O TS07145 [2,0,0,0,0,0|1,0,1]=4 841 B8R1.3 c1cc(ccc1N)O TS59709 [2,0,0,0,0,0|1,0,1]=4 842 B8R1.3 c1cc(ccc1N)S TS39734 [2,0,0,0,0,0|1,1,0]=4 843 B8R1.3 c1cc(ccc1O)Cl TS36377 [2,0,0,0,0,0|1,0,1]=4 844 B8R1.3 c1cc(ccc1O)Cl TS40947 [2,0,0,0,0,0|1,0,1]=4 845 B8R1.3 c1cc(ccc1O)F TS33165 [2,0,0,0,0,0|1,0,1]=4 846 B8R1.3 c1cc(ccc1O)I TS59518 [2,0,0,0,0,0|1,0,1]=4 847 B8R1.3 c1cc(ccc1O)O TS01676 [2,0,0,0,0,0|1,0,1]=4 848 B8R1.3 c1cc(ccc1O)O TS02292 [2,0,0,0,0,0|1,0,1]=4 849 B8R1.3 c1cc(ccc1O)O TS24537 [2,0,0,0,0,0|1,0,1]=4 850 B8R1.3 c1cc(ccc1O)S TS36138 [2,0,0,0,0,0|1,0,1]=4 851 B8R1.3 c1cc(ccc1S)Br TS39741 [2,0,0,0,0,0|1,1,0]=4 852 B8R1.3 c1cc(ccc1S)Cl TS07052 [2,0,0,0,0,0|1,1,0]=4 853 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [2,0,0,0,0,0|2,0,0]=4 854 B8R1.3 c1cn(=O)ccc1Cl TS05502 [2,0,0,0,0,0|2,0,0]=4 855 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [1,1,0,0,0,0|0,0,1]=3 856 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [1,1,0,0,0,0|0,0,2]=4 857 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [1,1,0,0,0,0|0,0,2]=4 858 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [1,1,0,0,0,0|0,0,1]=3 859 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [1,1,0,0,0,0|0,0,1]=3 860 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [1,1,0,0,0,0|0,0,1]=3 861 B10R1.3 CCc1ccc(cc1)C#C TS59670 [1,1,0,0,0,0|0,0,2]=4 862 B10R1.3 CCc1ccc(cc1)C#N TS05665 [1,1,0,0,0,0|0,0,2]=4 863 B10R1.3 CCc1ccc(cc1)C=C TS36711 [1,1,0,0,0,0|0,0,1]=3 864 B10R1.3 CCc1ccc(cc1)C=O TS36835 [1,1,0,0,0,0|0,0,0]=2 865 B10R1.3 CCc1ccc(cc1)CC TS05932 [1,1,0,0,0,0|0,0,1]=3 866 B10R1.3 CCc1ccc(cc1)CCl TS07791 [1,1,0,0,0,0|0,0,1]=3 867 B10R1.3 CCc1ccc(cc1)CN TS36956 [1,1,0,0,0,0|0,0,1]=3 868 B10R1.3 CCc1ccc(cc1)CO TS06078 [1,1,0,0,0,0|0,0,1]=3 869 B10R1.3 CCc1ccc(cc1)OC TS06096 [1,1,0,0,0,0|0,0,1]=3 870 B10R1.3 CCc1ccc(nc1)C=C TS65158 [1,1,0,0,0,0|1,0,1]=4 871 B10R1.3 CCc1ncc(cn1)C=O TS55317 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.3 CNc1ccc(cc1)C#N TS07763 [1,1,0,0,0,0|1,0,1]=4 873 B10R1.3 CNc1ccc(cc1)OC TS01939 [1,1,0,0,0,0|1,0,1]=4 874 B10R1.3 COc1ccc(cc1)C#C TS03157 [1,1,0,0,0,0|0,0,2]=4 875 B10R1.3 COc1ccc(cc1)C#N TS07812 [1,1,0,0,0,0|1,0,1]=4 876 B10R1.3 COc1ccc(cc1)C=C TS36841 [1,1,0,0,0,0|0,0,1]=3 877 B10R1.3 COc1ccc(cc1)C=O TS36981 [1,1,0,0,0,0|0,0,0]=2 878 B10R1.3 COc1ccc(cc1)CBr TS03143 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.3 COc1ccc(cc1)CCl TS60060 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.3 COc1ccc(cc1)CN TS03142 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.3 COc1ccc(cc1)CS TS03144 [1,1,0,0,0,0|0,1,0]=3 882 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.3 COc1ccc(cc1)NN TS45874 [1,1,0,0,0,0|2,0,0]=4 884 B10R1.3 COc1ccc(cc1)OC TS07887 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.3 COc1ccc(cc1)SC TS41410 [1,1,0,0,0,0|1,0,1]=4 886 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [1,1,0,0,0,0|1,0,1]=4 889 B10R1.3 COc1ccc(cn1)C=O TS55618 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.3 COc1ccc(cn1)CN TS91541 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.3 COc1ccc(cn1)CO TS87332 [1,1,0,0,0,0|1,0,1]=4 892 B10R1.3 COc1ccc(nc1)C=O TS87371 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.3 COc1ccc(nc1)CCl TS90886 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.3 COc1ccc(nc1)CO TS91157 [1,1,0,0,0,0|1,0,1]=4 895 B10R1.3 COc1ncc(cn1)C=O TS55436 [1,1,0,0,0,0|2,0,0]=4 896 B10R1.3 CSc1ccc(cc1)C#N TS40765 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.3 CSc1ccc(cc1)C=O TS71245 [1,1,0,0,0,0|0,0,0]=2 898 B10R1.3 CSc1ccc(cc1)CCl TS13280 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.3 CSc1ccc(cc1)CO TS41407 [1,1,0,0,0,0|0,0,1]=3 900 B10R1.3 CSc1ccc(cc1)NN TS46693 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.3 CSc1ncc(cn1)C=O TS00520 [1,1,0,0,0,0|2,0,0]=4 904 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [1,1,0,0,0,0|0,0,1]=3 905 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [1,1,0,0,0,0|0,0,1]=3 906 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [1,1,0,0,0,0|0,0,0]=2 908 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.3 c1cc(ccc1CN)C#N TS03059 [1,1,0,0,0,0|1,0,1]=4 912 B10R1.3 c1cc(ccc1CN)C#N TS16889 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.3 c1cc(ccc1CN)CO TS03000 [1,1,0,0,0,0|0,0,1]=3 914 B10R1.3 c1cc(ccc1CN)CO TS45704 [1,1,0,0,0,0|0,0,1]=3 915 B10R1.3 c1cc(ccc1CO)C#N TS01797 [1,1,0,0,0,0|0,0,2]=4 916 B10R1.3 c1cc(ccc1CO)CBr TS16757 [1,1,0,0,0,0|0,0,1]=3 917 B10R1.3 c1cc(ccc1CO)CO TS06244 [1,1,0,0,0,0|0,0,1]=3 918 B10R1.3 c1cc(ccc1CS)CS TS12899 [1,1,0,0,0,0|0,1,0]=3 919 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [1,1,0,0,0,0|1,0,1]=4 920 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [1,1,0,0,0,0|1,0,1]=4 921 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|1,0,1]=4 922 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|1,0,0]=3 925 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|1,0,0]=3 927 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|1,0,0]=3 928 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,1,0,0,0,0|2,0,0]=4 929 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,1,0,0,0,0|2,0,0]=4 930 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,1,0,0,0,0|2,0,0]=4 932 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,1,0,0,0,0|2,0,0]=4 933 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,1,0,0,0,0|1,0,1]=4 937 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,1,0,0,0,0|1,0,1]=4 938 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,1,0,0,0,0|1,0,1]=4 939 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,1,0,0,0,0|1,0,1]=4 940 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,1,0,0,0,0|1,0,1]=4 941 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,1,0,0,0,0|1,0,1]=4 954 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|0,0,1]=3 961 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|0,0,0]=2 963 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,1,0,0,0,0|0,0,0]=2 964 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,1,0,0,0,0|0,0,0]=2 965 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,1,0,0,0,0|0,0,0]=2 966 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,1,0,0,0,0|0,1,0]=3 967 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,1,0,0,0,0|0,0,1]=3 968 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,1,0,0,0,0|0,0,1]=3 969 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,1,0,0,0,0|0,0,1]=3 970 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,1,0,0,0,0|0,0,1]=3 971 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|1,0,0]=3 975 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,1,0,0,0,0|1,0,0]=3 979 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,1,0,0,0,0|1,0,0]=3 981 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,1,0,0,0,0|0,0,1]=3 982 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,1,0,0,0,0|0,0,1]=3 983 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,1,0,0,0,0|0,0,1]=3 984 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,1,0,0,0,0|1,0,0]=3 985 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,1,0,0,0,0|1,0,0]=3 988 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [1,1,0,0,0,0|1,1,0]=4 989 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [1,1,0,0,0,0|2,0,0]=4 994 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,1,0,0,0,0|2,0,0]=4 1000 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,1,0,0,0,0|1,0,0]=3 1022 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,1,0,0,0,0|1,1,0]=4 1032 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,1,0,0,0,0|1,1,0]=4 1033 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,1,0,0,0,0|1,1,0]=4 1034 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,1,0,0,0,0|1,1,0]=4 1035 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,1,0,0,0,0|1,1,0]=4 1036 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|0,0,1]=3 1074 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,1,0,0,0,0|1,0,1]=4 1077 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [1,1,0,0,0,0|0,0,0]=2 1089 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [1,1,0,0,0,0|0,0,1]=3 1093 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [1,1,0,0,0,0|0,0,0]=2 1094 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|0,0,1]=3 1098 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,1,0,0,0,0|1,0,1]=4 1103 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [1,1,0,0,0,0|0,0,0]=2 1105 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,1,0,0,0,0|1,0,1]=4 1108 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|0,0,0]=2 1112 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [1,1,0,0,0,0|1,0,1]=4 1115 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [1,1,0,0,0,0|1,0,0]=3 1120 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [1,1,0,0,0,0|1,1,0]=4 1126 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [1,1,0,0,0,0|1,1,0]=4 1133 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|1,0,1]=4 1139 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,1,0,0,0,0|1,0,0]=3 1157 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [1,1,0,0,0,0|2,0,0]=4 1166 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [1,1,0,0,0,0|1,0,1]=4 1168 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [1,1,0,0,0,0|1,0,1]=4 1169 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|0,0,1]=3 1170 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [1,1,0,0,0,0|1,0,1]=4 1171 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [1,1,0,0,0,0|1,0,1]=4 1172 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [1,1,0,0,0,0|1,0,1]=4 1173 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,1,0,0,0,0|1,0,0]=3 1176 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [1,1,0,0,0,0|2,0,0]=4 1177 B10R1.176 Cc1cc(ccc1F)CN TS39504 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.176 Cc1cc(ccc1F)CO TS37371 [1,1,0,0,0,0|1,0,1]=4 1179 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [1,1,0,0,0,0|1,0,1]=4 1184 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|0,0,0]=2 1185 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|1,0,0]=3 1186 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|1,0,0]=3 1187 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|0,0,1]=3 1188 B10R1.176 Cc1ccc(cc1C)NN TS13274 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|1,0,1]=4 1190 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [1,1,0,0,0,0|1,0,1]=4 1191 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [1,1,0,0,0,0|0,0,0]=2 1192 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [1,1,0,0,0,0|1,0,0]=3 1193 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [1,1,0,0,0,0|1,0,0]=3 1194 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [1,1,0,0,0,0|0,0,1]=3 1195 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [1,1,0,0,0,0|1,0,1]=4 1197 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [1,1,0,0,0,0|1,0,1]=4 1198 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [1,1,0,0,0,0|1,0,0]=3 1199 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [1,1,0,0,0,0|1,0,0]=3 1200 B10R1.176 Cc1ccc(cc1F)CN TS65517 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.176 Cc1ccc(cc1F)CO TS06453 [1,1,0,0,0,0|0,0,1]=3 1202 B10R1.176 Cc1ccc(cc1F)NN TS65519 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.176 Cc1ccc(cc1F)OC TS65516 [1,1,0,0,0,0|1,0,1]=4 1204 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [1,1,0,0,0,0|1,0,1]=4 1205 B10R1.176 Cc1ccc(cc1N)OC TS39535 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [1,1,0,0,0,0|0,0,0]=2 1207 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [1,1,0,0,0,0|1,0,1]=4 1210 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [1,1,0,0,0,0|1,0,0]=3 1219 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [1,1,0,0,0,0|1,0,0]=3 1224 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [1,1,0,0,0,0|1,0,0]=3 1225 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [1,1,0,0,0,0|1,0,1]=4 1245 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [1,1,0,0,0,0|1,0,1]=4 1247 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [1,1,0,0,0,0|1,0,1]=4 1248 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [1,1,0,0,0,0|1,0,1]=4 1249 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [1,1,0,0,0,0|1,0,1]=4 1250 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [1,1,0,0,0,0|1,0,1]=4 1251 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [1,1,0,0,0,0|1,1,0]=4 1253 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|1,0,0]=3 1255 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|1,0,0]=3 1256 B10R1.4 C=CCn1ccccc1=O TS36913 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|1,0,1]=4 1258 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,1]=4 1259 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|1,0,1]=4 1265 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|1,0,0]=3 1266 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,1]=4 1267 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|0,0,2]=4 1268 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.4 Cc1ccccc1N=C=O TS16709 [1,1,0,0,0,0|1,0,1]=4 1270 B10R1.4 Cc1ccccc1NC=O TS36923 [1,1,0,0,0,0|1,0,0]=3 1271 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,1,0,0,0,0|1,0,1]=4 1273 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,1,0,0,0,0|1,0,1]=4 1274 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,1,0,0,0,0|1,0,1]=4 1276 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,1,0,0,0,0|1,0,1]=4 1277 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,1]=4 1278 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,1]=4 1279 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|1,0,1]=4 1281 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|1,0,1]=4 1282 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|1,0,1]=4 1283 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|1,0,1]=4 1284 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|1,0,1]=4 1285 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|0,0,2]=4 1286 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|0,0,2]=4 1287 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|0,0,2]=4 1288 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|0,0,2]=4 1289 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|0,0,2]=4 1290 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|2,0,0]=4 1296 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [1,1,0,0,0,0|1,0,1]=4 1299 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [1,1,0,0,0,0|1,0,1]=4 1300 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [1,1,0,0,0,0|1,0,1]=4 1301 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [1,1,0,0,0,0|1,0,1]=4 1302 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [1,1,0,0,0,0|1,0,0]=3 1304 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,1,0,0,0,0|1,0,0]=3 1305 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|1,0,1]=4 1307 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,1,0,0,0,0|1,0,1]=4 1311 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,1]=4 1312 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|1,0,1]=4 1313 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|0,0,2]=4 1315 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,1,0,0,0,0|1,0,0]=3 1318 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,1,0,0,0,0|1,0,1]=4 1319 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|1,0,1]=4 1320 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|0,0,2]=4 1322 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,1,0,0,0,0|0,0,0]=2 1327 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|1,0,1]=4 1328 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|1,0,1]=4 1329 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|0,0,2]=4 1330 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.10 c1cc(cc(c1)Cl)N=C=O TS10357 [1,1,0,0,0,0|1,0,1]=4 1333 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,1,0,0,0,0|1,0,1]=4 1334 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,1,0,0,0,0|0,0,0]=2 1335 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|1,0,1]=4 1336 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|1,0,1]=4 1337 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|0,0,2]=4 1338 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.10 c1cc(cc(c1)F)N=C=O TS37081 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|0,0,2]=4 1343 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|0,0,2]=4 1345 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|0,0,2]=4 1346 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 1348 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|1,0,0]=3 1349 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [1,1,0,0,0,0|2,0,0]=4 1351 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,0]=3 1353 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|1,0,1]=4 1354 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|1,0,1]=4 1355 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|0,0,2]=4 1356 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|1,0,1]=4 1358 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|1,0,1]=4 1359 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,1]=4 1360 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,1]=4 1361 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,1]=4 1362 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.15 CN(C=O)c1ccccn1 TS06069 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|1,0,1]=4 1367 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|0,0,2]=4 1368 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|0,0,2]=4 1372 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,1]=4 1375 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,1,0,0,0,0|0,0,1]=3 1378 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|1,0,1]=4 1379 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,1]=4 1381 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,1]=4 1382 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|1,0,1]=4 1383 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|1,0,1]=4 1384 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,1]=4 1385 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,1]=4 1386 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|0,0,2]=4 1387 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|0,0,2]=4 1388 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,1]=4 1391 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,1]=4 1392 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|0,0,2]=4 1393 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|0,0,2]=4 1394 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 1395 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,1]=4 1396 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,1]=4 1397 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|0,0,2]=4 1398 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|0,0,2]=4 1399 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|1,0,1]=4 1400 B10R1.17 C#CCOc1ccccc1 TS36668 [1,1,0,0,0,0|1,0,1]=4 1401 B10R1.17 C#CCSc1ccccc1 TS07496 [1,1,0,0,0,0|1,0,1]=4 1402 B10R1.17 C=CC=Cc1ccccc1 TS36510 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|1,0,0]=3 1404 B10R1.17 C=CCCc1ccncc1 TS36777 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.17 C=CCNc1ccccc1 TS05848 [1,1,0,0,0,0|1,0,0]=3 1406 B10R1.17 C=CCOc1ccccc1 TS36847 [1,1,0,0,0,0|1,0,0]=3 1407 B10R1.17 C=CCOc1ccccn1 TS36929 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.17 C=CCSc1ccccc1 TS40921 [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|1,0,0]=3 1410 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|1,0,1]=4 1411 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|1,0,1]=4 1412 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|1,0,1]=4 1413 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|1,0,1]=4 1415 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|1,0,1]=4 1416 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,1]=4 1417 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|1,0,1]=4 1418 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.17 COC=Cc1ccccc1 TS36842 [1,1,0,0,0,0|0,0,2]=4 1420 B10R1.17 COC=Nc1ccccc1 TS36922 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|0,0,2]=4 1422 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|1,1,0]=4 1426 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [1,1,0,0,0,0|1,0,1]=4 1428 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [1,1,0,0,0,0|0,0,1]=3 1429 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [1,1,0,0,0,0|1,0,1]=4 1430 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [1,1,0,0,0,0|0,0,1]=3 1431 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|1,0,1]=4 1433 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|0,0,2]=4 1434 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|0,0,0]=2 1436 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|1,0,1]=4 1438 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|0,0,2]=4 1439 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|0,1,1]=4 1440 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,1,0,0,0,0|0,0,1]=3 1442 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,1,0,0,0,0|0,1,1]=4 1443 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,1,0,0,0,0|0,0,0]=2 1445 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,1,0,0,0,0|0,0,0]=2 1446 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|0,0,2]=4 1453 B10R1.17 c1ccc(cc1)NNC=O TS06048 [1,1,0,0,0,0|1,0,0]=3 1454 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,1,0,0,0,0|0,0,0]=2 1455 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|0,0,2]=4 1459 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|0,0,2]=4 1463 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,1,0,0,0,0|1,0,0]=3 1465 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,1,0,0,0,0|1,0,1]=4 1466 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [1,1,0,0,0,0|1,0,0]=3 1467 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,1,0,0,0,0|0,0,0]=2 1469 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,1,0,0,0,0|1,0,0]=3 1470 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,1,0,0,0,0|1,0,0]=3 1471 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,1,0,0,0,0|1,0,0]=3 1472 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,1,0,0,0,0|1,0,0]=3 1473 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,1,0,0,0,0|1,0,0]=3 1474 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [1,1,0,0,0,0|2,0,0]=4 1476 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [1,1,0,0,0,0|2,0,0]=4 1477 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [1,1,0,0,0,0|2,0,0]=4 1478 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,1,0,0,0,0|1,0,0]=3 1479 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,1,0,0,0,0|1,1,0]=4 1480 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,1,0,0,0,0|1,0,1]=4 1481 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,1,0,0,0,0|1,0,1]=4 1482 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,1,0,0,0,0|1,0,1]=4 1483 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,1,0,0,0,0|0,0,2]=4 1484 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,1,0,0,0,0|1,0,0]=3 1487 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,1,0,0,0,0|1,0,1]=4 1488 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,1,0,0,0,0|1,0,1]=4 1489 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,1,0,0,0,0|1,1,0]=4 1490 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [1,1,0,0,0,0|2,0,0]=4 1491 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [1,1,0,0,0,0|1,0,0]=3 1492 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [1,1,0,0,0,0|1,0,0]=3 1493 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [1,1,0,0,0,0|2,0,0]=4 1494 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,1,0,0,0,0|1,0,0]=3 1495 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [1,1,0,0,0,0|1,0,0]=3 1496 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,1,0,0,0,0|0,0,0]=2 1497 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,1,0,0,0,0|0,0,0]=2 1498 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,1,0,0,0,0|0,0,0]=2 1499 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,1,0,0,0,0|0,0,0]=2 1500 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,1,0,0,0,0|0,0,0]=2 1501 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,1,0,0,0,0|0,0,0]=2 1502 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,1,0,0,0,0|0,1,0]=3 1503 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,1,0,0,0,0|2,0,0]=4 1504 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,1,0,0,0,0|2,0,0]=4 1505 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [1,1,0,0,0,0|1,0,0]=3 1506 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,1,0,0,0,0|1,0,0]=3 1507 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,1,0,0,0,0|1,1,0]=4 1508 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [1,1,0,0,0,0|1,0,0]=3 1509 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,1,0,0,0,0|1,0,0]=3 1510 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [1,1,0,0,0,0|1,1,0]=4 1511 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [1,1,0,0,0,0|1,1,0]=4 1512 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [1,1,0,0,0,0|1,1,0]=4 1513 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,1,0,0,0,0|1,0,0]=3 1514 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [1,1,0,0,0,0|1,0,0]=3 1515 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.18 c1cnc(nc1)CC(=O)O TS02476 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,1,0,0,0,0|1,0,0]=3 1519 B10R1.18 c1cnccc1CC(=S)Cl TS45391 [1,1,0,0,0,0|1,1,0]=4 1520 B10R1.18 c1cnccc1CC(=S)O TS20061 [1,1,0,0,0,0|1,0,1]=4 1521 B10R1.18 c1cncnc1CC(=O)O TS88488 [1,1,0,0,0,0|2,0,0]=4 1522 B10R1.18 c1cnncc1CC(=O)O TS90855 [1,1,0,0,0,0|2,0,0]=4 1523 B10R1.16 Cc1ccc(o1)CCC=O TS37180 [0,1,0,0,1,0|1,0,0]=3 1524 B10R1.54 Cc1ccn(n1)CC(=O)O TS37360 [0,1,0,0,1,0|2,0,0]=4 1525 B10R1.54 Cc1nc(cs1)CC(=O)N TS10707 [0,1,0,0,1,0|2,0,0]=4 1526 B10R1.54 Cc1nc(cs1)CC(=O)O TS41777 [0,1,0,0,1,0|2,0,0]=4 1527 B12R1.1 CC#CCNc1ccc(cc1)C TS42084 [0,2,0,0,0,0|1,0,1]=4 1528 B12R1.1 CCCCOc1ccc(cc1)C TS42790 [0,2,0,0,0,0|1,0,1]=4 1529 B12R1.1 Cc1ccc(cc1)CCN=C=S TS14090 [0,2,0,0,0,0|0,1,1]=4 1530 B12R1.1 Cc1ccc(cc1)OCCC#N TS42324 [0,2,0,0,0,0|1,0,1]=4 1531 B12R1.1 Cc1ccc(cc1)OCCCBr TS24685 [0,2,0,0,0,0|1,0,1]=4 1532 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O TS24115 [0,2,0,0,0,0|1,0,1]=4 1533 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=O TS24108 [0,2,0,0,0,0|1,0,1]=4 1534 B12R1.16 Cc1ccc(cc1)C(=O)CC#N TS11129 [0,2,0,0,0,0|1,0,1]=4 1535 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.16 Cc1ccc(cc1)C(CCO)N TS12059 [0,2,0,0,0,0|0,0,2]=4 1537 B12R1.16 Cc1ccc(cc1)N(C)CCO TS12071 [0,2,0,0,0,0|0,0,2]=4 1538 B12R1.16 Cc1ccc(cc1)[C@@H](CCO)N TS12072 [0,2,0,0,0,0|0,0,2]=4 1539 B12R1.16 c1cc(ccc1C(=CC=O)Cl)Cl TS19149 [0,2,0,0,0,0|1,0,1]=4 1540 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [0,2,0,0,0,0|1,0,1]=4 1542 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [0,2,0,0,0,0|1,0,1]=4 1543 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,2,0,0,0,0|1,0,0]=3 1545 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,2,0,0,0,0|1,0,0]=3 1547 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,2,0,0,0,0|1,0,0]=3 1548 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.21 CC(=O)O[Hg]c1ccc(cc1)N TS64802 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [0,2,0,0,0,0|0,0,1]=3 1551 B12R1.21 Cc1ccc(cc1)C=C[N+](=O)[O-] TS42567 [0,2,0,0,0,0|0,0,1]=3 1552 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,2,0,0,0,0|0,0,0]=2 1553 B12R1.21 Cc1ccc(cc1)CNC(=S)N TS14660 [0,2,0,0,0,0|0,1,0]=3 1554 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,2,0,0,0,0|0,0,0]=2 1555 B12R1.21 Cc1ccc(cc1)N=CN(C)C TS42500 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.21 Cc1ccc(cc1)OCC(=O)O TS12179 [0,2,0,0,0,0|0,0,0]=2 1557 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,2,0,0,0,0|0,0,2]=4 1558 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [0,2,0,0,0,0|1,0,1]=4 1563 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [0,2,0,0,0,0|1,0,1]=4 1564 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [0,2,0,0,0,0|1,0,1]=4 1565 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.21 c1cc(ccc1C=CN(=O)=O)O TS11993 [0,2,0,0,0,0|1,0,1]=4 1567 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])Br TS52577 [0,2,0,0,0,0|1,0,1]=4 1568 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])Cl TS15187 [0,2,0,0,0,0|1,0,1]=4 1569 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])F TS43186 [0,2,0,0,0,0|1,0,1]=4 1570 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,2,0,0,0,0|1,0,0]=3 1575 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.21 c1cc(ccc1CNC(=O)N)F TS12511 [0,2,0,0,0,0|1,0,0]=3 1578 B12R1.21 c1cc(ccc1CNC(=O)N)N TS12035 [0,2,0,0,0,0|1,0,0]=3 1579 B12R1.21 c1cc(ccc1CNC(=S)N)Cl TS19125 [0,2,0,0,0,0|1,1,0]=4 1580 B12R1.21 c1cc(ccc1CSC(=N)N)Cl TS26019 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.21 c1cc(ccc1F)SCC(=O)O TS15593 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.21 c1cc(ccc1N)NCC(=O)O TS43068 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.21 c1cc(ccc1N)SCC(=O)O TS15156 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.21 c1cc(ccc1NCC(=O)O)O TS00318 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.21 c1cc(ccc1NCC(=O)O)O TS43213 [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.21 c1cc(ccc1O)OCC(=O)O TS44827 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.21 c1cc(ccc1OCC(=N)N)F TS12509 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.21 c1cc(ccc1OCC(=N)[NH3+])F TS19871 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.21 c1cc(ccc1OCC(=O)Cl)F TS16078 [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.21 c1cc(ccc1OCC(=O)O)Br TS53125 [0,2,0,0,0,0|1,0,0]=3 1591 B12R1.21 c1cc(ccc1OCC(=O)O)Cl TS15705 [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.21 c1cc(ccc1OCC(=O)O)F TS45082 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.21 c1cc(ccc1OCC(=O)O)I TS33985 [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl TS43547 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.21 c1cc(ccc1SCC(=O)N)Cl TS38177 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.21 c1cc(ccc1SCC(=O)O)Cl TS19487 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl TS14853 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.49 C=CC(=O)Oc1ccc(cc1)Cl TS48354 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,2,0,0,0,0|1,0,0]=3 1603 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,2,0,0,0,0|0,0,0]=2 1608 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.49 Cc1ccc(cc1)NC(=S)NN TS48123 [0,2,0,0,0,0|1,1,0]=4 1610 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.49 c1cc(ccc1CC(=NO)N)Br TS24664 [0,2,0,0,0,0|1,0,1]=4 1612 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.49 c1cc(ccc1CC(=O)NN)F TS12508 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [0,2,0,0,0,0|1,0,0]=3 1615 B12R1.49 c1cc(ccc1NC(=O)CCl)Cl TS19677 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.49 c1cc(ccc1NC(=O)CCl)F TS15868 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.49 c1cc(ccc1NC(=O)CCl)I TS35822 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.49 c1cc(ccc1NC(=O)CCl)O TS15525 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS23393 [0,2,0,0,0,0|2,0,0]=4 1620 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS48796 [0,2,0,0,0,0|2,0,0]=4 1621 B12R1.69 Cc1ccc(c(c1)C)N=CNC TS11605 [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.69 Cc1ccc(c(c1)C)SCCO TS15030 [0,2,0,0,0,0|0,0,2]=4 1623 B12R1.71 C=CCOc1ccc(cc1)C=O TS42436 [0,2,0,0,0,0|1,0,1]=4 1624 B12R1.71 CCCCc1ccc(cc1)CN TS11747 [0,2,0,0,0,0|1,0,1]=4 1625 B12R1.71 CCNCc1ccc(cc1)OC TS12070 [0,2,0,0,0,0|1,0,1]=4 1626 B12R1.71 CNCCc1ccc(cc1)OC TS38183 [0,2,0,0,0,0|1,0,1]=4 1627 B12R1.71 CNCCc1ccc(cc1)OC TS59871 [0,2,0,0,0,0|1,0,1]=4 1628 B12R1.71 COc1ccc(cc1)CCC=O TS11887 [0,2,0,0,0,0|0,0,0]=2 1629 B12R1.71 COc1ccc(cc1)CCCCl TS48683 [0,2,0,0,0,0|1,0,1]=4 1630 B12R1.71 COc1ccc(cc1)CCCN TS12074 [0,2,0,0,0,0|1,0,1]=4 1631 B12R1.71 COc1ccc(cc1)CCCO TS43106 [0,2,0,0,0,0|0,0,2]=4 1632 B12R1.71 COc1ccc(cc1)CN=C=O TS42570 [0,2,0,0,0,0|0,0,1]=3 1633 B12R1.71 COc1ccc(cc1)COC=O TS43035 [0,2,0,0,0,0|0,0,0]=2 1634 B12R1.71 COc1ccc(cc1)OCC#N TS11704 [0,2,0,0,0,0|1,0,1]=4 1635 B12R1.71 COc1ccc(cc1)OCC=C TS42730 [0,2,0,0,0,0|1,0,0]=3 1636 B12R1.71 COc1ccc(cc1)OCCBr TS25017 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.385 Cc1ccc(cc1C)SCCO TS15033 [0,2,0,0,0,0|0,0,2]=4 1638 B12R1.385 Cc1ccc(cc1O)NCCO TS43243 [0,2,0,0,0,0|0,0,2]=4 1639 B12R1.385 c1cc(c(cc1CN=C=O)Cl)Cl TS19307 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,2,0,0,0,0|0,0,0]=2 1641 B12R1.4 CC(=O)Nc1ccc(cc1)C#N TS42159 [0,2,0,0,0,0|1,0,1]=4 1642 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,2,0,0,0,0|1,0,1]=4 1643 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,2,0,0,0,0|1,0,1]=4 1644 B12R1.4 CC(=O)Nc1ccc(cc1)CCl TS48490 [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.4 CC(=O)Nc1ccc(cc1)CN TS02940 [0,2,0,0,0,0|1,0,0]=3 1646 B12R1.4 CC(=O)Nc1ccc(cc1)CO TS42884 [0,2,0,0,0,0|1,0,0]=3 1647 B12R1.4 CC(=O)Nc1ccc(cc1)NN TS19291 [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,2,0,0,0,0|1,0,0]=3 1649 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,2,0,0,0,0|1,0,0]=3 1650 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,2,0,0,0,0|1,0,1]=4 1651 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,2,0,0,0,0|1,0,1]=4 1652 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,2,0,0,0,0|1,0,0]=3 1653 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,2,0,0,0,0|1,0,1]=4 1654 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,2,0,0,0,0|0,0,0]=2 1655 B12R1.4 CCc1ccc(cc1)NC(=S)N TS14657 [0,2,0,0,0,0|1,1,0]=4 1656 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,2,0,0,0,0|1,0,0]=3 1657 B12R1.4 COc1ccc(cc1)CC(=O)Cl TS48666 [0,2,0,0,0,0|0,0,0]=2 1658 B12R1.4 COc1ccc(cc1)CC(=O)N TS12026 [0,2,0,0,0,0|0,0,0]=2 1659 B12R1.4 COc1ccc(cc1)CC(=O)O TS12167 [0,2,0,0,0,0|0,0,0]=2 1660 B12R1.4 COc1ccc(cc1)CC(=S)N TS14830 [0,2,0,0,0,0|0,1,0]=3 1661 B12R1.4 COc1ccc(cc1)NC(=N)N TS12040 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.4 COc1ccc(cc1)NC(=N)N TS19287 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.4 COc1ccc(cc1)NC(=O)N TS12234 [0,2,0,0,0,0|1,0,0]=3 1664 B12R1.4 COc1ccc(cc1)NC(=S)N TS48305 [0,2,0,0,0,0|1,1,0]=4 1665 B12R1.4 COc1ccc(cc1)OC(=O)Cl TS15706 [0,2,0,0,0,0|1,0,0]=3 1666 B12R1.4 CSc1ccc(cc1)CC(=O)O TS70786 [0,2,0,0,0,0|0,0,0]=2 1667 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,2,0,0,0,0|1,0,1]=4 1668 B12R1.4 c1cc(ccc1CC(=O)O)C#N TS03064 [0,2,0,0,0,0|0,0,1]=3 1669 B12R1.4 c1cc(ccc1CC(=O)O)CBr TS16900 [0,2,0,0,0,0|0,0,0]=2 1670 B12R1.4 c1cc(ccc1CC(=O)O)CCl TS15379 [0,2,0,0,0,0|0,0,0]=2 1671 B12R1.4 c1cc(ccc1CC(=O)O)CN TS12032 [0,2,0,0,0,0|0,0,0]=2 1672 B12R1.4 c1cc(ccc1CC(=O)O)CO TS12166 [0,2,0,0,0,0|0,0,0]=2 1673 B12R1.19 C=C(Cc1ccc(c(c1)Cl)F)Br TS27952 [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.19 C=C(Cc1ccc(c(c1)F)F)Br TS53425 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl TS19510 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br TS62637 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F TS15871 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O TS15512 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br TS53264 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F TS12965 [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl TS48677 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.19 Cc1cc(ccc1F)CC(=C)Br TS24668 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O TS15519 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,2,0,0,0,0|1,0,0]=3 1687 B12R1.19 Cc1ccc(cc1C)NC(=S)N TS14663 [0,2,0,0,0,0|1,1,0]=4 1688 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C TS48493 [0,2,0,0,0,0|1,0,0]=3 1689 B12R1.19 Cc1ccc(cc1Cl)NC(=O)N TS48676 [0,2,0,0,0,0|1,0,0]=3 1690 B12R1.19 Cc1ccc(cc1Cl)NC(=S)N TS38029 [0,2,0,0,0,0|1,1,0]=4 1691 B12R1.19 Cc1ccc(cc1F)CC(=C)Br TS24669 [0,2,0,0,0,0|1,0,0]=3 1692 B12R1.19 Cc1ccc(cc1F)CC(=O)O TS65518 [0,2,0,0,0,0|0,0,0]=2 1693 B12R1.19 Cc1ccc(cc1N)NC(=O)C TS42769 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [0,2,0,0,0,0|1,0,0]=3 1697 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [0,2,0,0,0,0|1,0,0]=3 1699 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [0,2,0,0,0,0|1,0,0]=3 1700 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [0,2,0,0,0,0|1,0,0]=3 1701 B12R1.19 c1cc(c(cc1CC(=O)O)F)F TS45416 [0,2,0,0,0,0|1,0,0]=3 1702 B12R1.19 c1cc(c(cc1CC(=O)O)F)O TS65509 [0,2,0,0,0,0|1,0,0]=3 1703 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [0,2,0,0,0,0|1,0,0]=3 1704 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl TS60194 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,2,0,0,0,0|1,0,1]=4 1706 B12R1.20 CC(=O)N(C)c1ccc(cc1)N TS42768 [0,2,0,0,0,0|2,0,0]=4 1707 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,2,0,0,0,0|1,0,0]=3 1708 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,2,0,0,0,0|0,0,1]=3 1710 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [0,2,0,0,0,0|0,0,0]=2 1711 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,2,0,0,0,0|0,0,0]=2 1712 B12R1.20 Cc1ccc(cc1)N(C)C(=S)Cl TS37823 [0,2,0,0,0,0|1,1,0]=4 1713 B12R1.20 Cc1ccc(cc1)[C@H](C(=S)O)O TS54028 [0,2,0,0,0,0|0,0,1]=3 1714 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [0,2,0,0,0,0|1,0,1]=4 1715 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [0,2,0,0,0,0|1,0,0]=3 1716 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [0,2,0,0,0,0|1,0,0]=3 1717 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [0,2,0,0,0,0|1,0,0]=3 1718 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [0,2,0,0,0,0|1,0,0]=3 1719 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [0,2,0,0,0,0|1,0,0]=3 1720 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [0,2,0,0,0,0|1,0,0]=3 1721 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,2,0,0,0,0|1,0,0]=3 1722 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,2,0,0,0,0|1,0,0]=3 1723 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [0,2,0,0,0,0|1,0,0]=3 1724 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [0,2,0,0,0,0|1,0,0]=3 1725 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [0,2,0,0,0,0|1,0,0]=3 1727 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,2,0,0,0,0|1,0,0]=3 1728 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [0,2,0,0,0,0|1,0,0]=3 1729 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [0,2,0,0,0,0|1,0,0]=3 1730 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [0,2,0,0,0,0|1,0,0]=3 1731 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [0,2,0,0,0,0|1,0,0]=3 1733 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,2,0,0,0,0|1,0,0]=3 1734 B12R1.106 Cc1ccc(cc1)CC(C)(C)O TS40916 [0,2,0,0,0,0|0,0,2]=4 1735 B12R1.106 Cc1ccc(cc1)CP(=O)(O)O TS48844 [0,2,0,0,0,0|1,0,0]=3 1736 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl TS38721 [0,2,0,0,0,0|1,0,0]=3 1737 B12R1.106 c1cc(ccc1CP(=O)(O)O)Br TS28132 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.106 c1cc(ccc1CP(=O)(O)O)N TS15756 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Br TS30718 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Cl TS23960 [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)F TS60363 [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,2,0,0,0,0|1,0,0]=3 1743 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,2,0,0,0,0|1,0,0]=3 1744 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,2,0,0,0,0|2,0,0]=4 1746 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,2,0,0,0,0|2,0,0]=4 1747 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,2,0,0,0,0|2,0,0]=4 1748 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,2,0,0,0,0|2,0,0]=4 1749 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,2,0,0,0,0|2,0,0]=4 1750 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,2,0,0,0,0|2,0,0]=4 1751 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,2,0,0,0,0|2,0,0]=4 1753 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,2,0,0,0,0|2,0,0]=4 1754 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,2,0,0,0,0|2,0,0]=4 1755 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,2,0,0,0,0|1,0,0]=3 1756 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,2,0,0,0,0|2,0,0]=4 1757 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,2,0,0,0,0|2,0,0]=4 1758 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,2,0,0,0,0|2,0,0]=4 1760 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,2,0,0,0,0|1,0,0]=3 1761 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,2,0,0,0,0|1,0,0]=3 1762 B12R1.233 Cc1ccc(c(c1)C)NC(=S)N TS14656 [0,2,0,0,0,0|1,1,0]=4 1763 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,2,0,0,0,0|1,0,0]=3 1764 B12R1.233 c1c(c(cnc1Cl)CC(=O)O)Cl TS20081 [0,2,0,0,0,0|2,0,0]=4 1765 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br TS25005 [0,2,0,0,0,0|2,0,0]=4 1766 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,2,0,0,0,0|1,0,0]=3 1767 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,2,0,0,0,0|1,0,0]=3 1768 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,2,0,0,0,0|1,0,0]=3 1769 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,2,0,0,0,0|1,0,0]=3 1770 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,2,0,0,0,0|2,0,0]=4 1771 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,2,0,0,0,0|1,0,0]=3 1772 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,2,0,0,0,0|1,0,0]=3 1773 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,2,0,0,0,0|1,0,0]=3 1774 B12R1.233 c1cc(c(cc1F)Cl)CC(=S)N TS38504 [0,2,0,0,0,0|1,1,0]=4 1775 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.233 c1cc(c(cc1F)F)CC(=N)N TS45102 [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,2,0,0,0,0|1,0,0]=3 1778 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,2,0,0,0,0|1,0,0]=3 1779 B12R1.5 COc1ccc(cc1)C(=O)C=O TS14914 [0,2,0,0,0,0|0,0,1]=3 1780 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,2,0,0,0,0|1,0,1]=4 1781 B12R1.5 COc1ccc(cc1)[C@H](C#N)O TS42565 [0,2,0,0,0,0|1,0,1]=4 1782 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,2,0,0,0,0|1,0,1]=4 1783 B12R1.5 c1cc(ccc1C#N)C(=O)C=O TS11112 [0,2,0,0,0,0|0,0,2]=4 1784 B12R1.9 Cc1ccc(cc1)S(=O)(=O)C=C TS48296 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.12 CCN(C=O)c1ccc(cc1)Cl TS48484 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.12 c1cc(ccc1C(C=O)C=O)Br TS24313 [0,2,0,0,0,0|1,0,0]=3 1787 B12R1.12 c1cc(ccc1C(C=O)C=O)Cl TS48350 [0,2,0,0,0,0|1,0,0]=3 1788 B12R1.12 c1cc(ccc1C(C=O)C=O)F TS43013 [0,2,0,0,0,0|1,0,0]=3 1789 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,2,0,0,0,0|1,0,1]=4 1790 B12R1.114 COc1ccc(c(c1)Cl)CC#N TS14845 [0,2,0,0,0,0|1,0,1]=4 1791 B12R1.114 COc1ccc(c(c1)F)CC#N TS42871 [0,2,0,0,0,0|1,0,1]=4 1792 B12R1.114 Cc1cc(ccc1CC#N)OC TS07806 [0,2,0,0,0,0|1,0,1]=4 1793 B12R1.114 Cc1cc(ccc1N=C=O)OC TS42559 [0,2,0,0,0,0|1,0,1]=4 1794 B12R1.1095 Cc1cc(c(c(c1)C)C#N=O)C TS02121 [0,2,0,0,0,0|1,0,1]=4 1795 B12R1.1095 Cc1cc(c(c(c1)C)CC#N)C TS42086 [0,2,0,0,0,0|1,0,1]=4 1796 B12R1.1095 Cc1cc(c(c(c1)C)CCO)C TS42803 [0,2,0,0,0,0|0,0,2]=4 1797 B12R1.1095 Cc1cc(c(c(c1)C)N=C=O)C TS11410 [0,2,0,0,0,0|1,0,1]=4 1798 B12R1.1095 Cc1cc(c(c(c1)C)NC=O)C TS42601 [0,2,0,0,0,0|1,0,0]=3 1799 B12R1.1123 Cc1cc(c(cc1C)CC#N)C TS42079 [0,2,0,0,0,0|1,0,1]=4 1800 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [0,2,0,0,0,0|1,0,1]=4 1801 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [0,2,0,0,0,0|1,0,1]=4 1802 B12R1.113 CC(=O)c1ccc(cc1)N=C=O TS11375 [0,2,0,0,0,0|1,0,1]=4 1803 B12R1.113 CC(C)c1ccc(cc1)CC#N TS42076 [0,2,0,0,0,0|1,0,1]=4 1804 B12R1.113 CC(C)c1ccc(cc1)CC=O TS11592 [0,2,0,0,0,0|0,0,0]=2 1805 B12R1.113 CC(C)c1ccc(cc1)N=C=O TS09733 [0,2,0,0,0,0|1,0,1]=4 1806 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [0,2,0,0,0,0|1,0,1]=4 1807 B12R1.113 CN(C)c1ccc(cc1)CCN TS11939 [0,2,0,0,0,0|1,0,1]=4 1808 B12R1.113 CN(C)c1ccc(cc1)N=C=O TS42460 [0,2,0,0,0,0|1,0,1]=4 1809 B12R1.113 c1cc(ccc1CC=O)[N+](=O)[O-] TS46551 [0,2,0,0,0,0|1,0,0]=3 1810 B12R1.113 c1cc(ccc1[N+](=O)[O-])OC=O TS12348 [0,2,0,0,0,0|2,0,0]=4 1811 B12R1.116 CCCc1ccc(cc1)CCC TS42507 [0,2,0,0,0,0|1,0,1]=4 1812 B12R1.116 CCOc1ccc(cc1)CC#N TS07790 [0,2,0,0,0,0|1,0,1]=4 1813 B12R1.116 CCOc1ccc(cc1)CCN TS12064 [0,2,0,0,0,0|1,0,1]=4 1814 B12R1.116 CCOc1ccc(cc1)CCO TS43105 [0,2,0,0,0,0|0,0,2]=4 1815 B12R1.116 CCOc1ccc(cc1)CNC TS42956 [0,2,0,0,0,0|2,0,0]=4 1816 B12R1.116 CCOc1ccc(cc1)N=C=O TS11707 [0,2,0,0,0,0|1,0,1]=4 1817 B12R1.116 COCc1ccc(cc1)COC TS12266 [0,2,0,0,0,0|2,0,0]=4 1818 B12R1.116 c1cc(ccc1CC#N)CC#N TS41616 [0,2,0,0,0,0|1,0,1]=4 1819 B12R1.116 c1cc(ccc1CCCl)CCCl TS38383 [0,2,0,0,0,0|1,0,1]=4 1820 B12R1.116 c1cc(ccc1CCO)CCO TS12258 [0,2,0,0,0,0|0,0,2]=4 1821 B12R1.288 COc1ccc(cc1Br)CC#N TS24106 [0,2,0,0,0,0|1,0,1]=4 1822 B12R1.288 COc1ccc(cc1Br)CCN TS52949 [0,2,0,0,0,0|1,0,1]=4 1823 B12R1.288 COc1ccc(cc1Cl)CC#N TS14851 [0,2,0,0,0,0|1,0,1]=4 1824 B12R1.288 COc1ccc(cc1Cl)CCN TS15528 [0,2,0,0,0,0|1,0,1]=4 1825 B12R1.288 COc1ccc(cc1Cl)N=C=O TS15188 [0,2,0,0,0,0|1,0,1]=4 1826 B12R1.288 COc1ccc(cc1F)CC#N TS07748 [0,2,0,0,0,0|1,0,1]=4 1827 B12R1.288 COc1ccc(cc1F)CC=C TS43082 [0,2,0,0,0,0|1,0,0]=3 1828 B12R1.288 COc1ccc(cc1F)CCO TS45118 [0,2,0,0,0,0|0,0,2]=4 1829 B12R1.288 COc1ccc(cc1O)CCN TS38507 [0,2,0,0,0,0|1,0,1]=4 1830 B12R1.288 Cc1cc(ccc1OC)CC#N TS42316 [0,2,0,0,0,0|1,0,1]=4 1831 B12R1.286 COc1cc(ccc1O)CC=C TS11869 [0,2,0,0,0,0|2,0,0]=4 1832 B12R1.286 Cc1ccc(cc1OC)CC#N TS60016 [0,2,0,0,0,0|1,0,1]=4 1833 B10R1.2 Cc1cccc(c1C)C=O TS59680 [0,0,1,1,0,0|0,0,2]=4 1834 B10R1.2 Cc1cccc(c1F)C=O TS37170 [0,0,1,1,0,0|1,0,1]=4 1835 B10R1.2 Cc1cccc(c1O)C=O TS36989 [0,0,1,1,0,0|1,0,1]=4 1836 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,0,1,1,0,0|0,0,2]=4 1837 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,0,1,1,0,0|0,0,2]=4 1838 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,0,1,1,0,0|1,0,1]=4 1839 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,0,1,1,0,0|1,0,1]=4 1840 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|1,0,1]=4 1841 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|0,0,2]=4 1842 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|0,0,2]=4 1843 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|0,0,2]=4 1844 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,0]=3 1845 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,0]=3 1846 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,1]=4 1847 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|1,0,1]=4 1848 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|0,0,2]=4 1849 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|2,0,0]=4 1850 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 1851 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,1,0,0|2,0,0]=4 1852 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|1,0,1]=4 1853 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,1,0,0|0,1,1]=4 1854 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|0,0,2]=4 1855 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,1,0,0|0,1,1]=4 1856 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,1,0,0|1,0,1]=4 1857 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [1,0,0,1,0,0|1,1,0]=4 1858 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|0,0,0]=2 1859 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,1]=4 1860 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,1,0,1,0,0|1,0,1]=4 1861 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,1,0,1,0,0|1,0,1]=4 1862 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,1,0,1,0,0|1,0,1]=4 1863 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,1,0,1,0,0|1,0,1]=4 1864 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,1,0,1,0,0|1,0,1]=4 1865 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,1,0,1,0,0|1,0,1]=4 1866 B12R2.24 Cc1ccc2c(c1)NCCO2 TS48809 [0,1,0,1,0,0|1,0,1]=4 1867 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [0,1,0,1,0,0|1,0,1]=4 1868 B12R2.24 Cc1ccc2c(c1)cncn2 TS40185 [0,1,0,1,0,0|2,0,0]=4 1869 B12R2.24 Cc1ccc2c(c1)nccn2 TS40189 [0,1,0,1,0,0|1,0,1]=4 1870 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [0,1,0,1,0,0|1,0,1]=4 1871 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [0,1,0,1,0,0|1,0,1]=4 1872 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [0,1,0,1,0,0|1,0,1]=4 1873 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [0,1,0,1,0,0|2,0,0]=4 1874 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [0,1,0,1,0,0|2,0,0]=4 1875 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [0,1,0,1,0,0|2,0,0]=4 1876 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|0,0,0]=2 1877 B12R2.132 Cc1ccc2c(c1)c(cs2)C TS11617 [0,1,0,1,0,0|1,0,1]=4 1878 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)Br TS21069 [0,1,0,1,0,0|2,0,0]=4 1879 B12R2.132 Cc1ccc2c(c1)c(n[nH]2)O TS40625 [0,1,0,1,0,0|1,0,1]=4 1880 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [0,1,0,1,0,0|2,0,0]=4 1881 B12R2.132 c1cc(nc2c1CCC2=O)Cl TS43276 [0,1,0,1,0,0|2,0,0]=4 1882 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 TS55541 [0,1,0,1,0,0|1,0,0]=3 1883 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 TS21234 [0,1,0,1,0,0|1,0,0]=3 1884 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [0,1,0,1,0,0|1,0,0]=3 1885 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 TS90453 [0,1,0,1,0,0|1,0,0]=3 1886 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 TS59731 [0,1,0,1,0,0|1,0,0]=3 1887 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [0,1,0,1,0,0|1,0,0]=3 1888 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [0,1,0,1,0,0|1,0,0]=3 1889 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 TS43274 [0,1,0,1,0,0|1,0,0]=3 1890 B12R2.132 c1cc2c(cc1Cl)C(=O)OC2 TS44936 [0,1,0,1,0,0|1,0,0]=3 1891 B12R2.132 c1cc2c(cc1F)C(=O)CC2 TS01223 [0,1,0,1,0,0|1,0,0]=3 1892 B12R2.132 c1cc2c(cc1F)C(=O)CO2 TS32992 [0,1,0,1,0,0|1,0,0]=3 1893 B12R2.132 c1cc2c(cc1F)C(=O)OC2 TS41094 [0,1,0,1,0,0|1,0,0]=3 1894 B12R2.132 c1cc2c(cc1I)C(=O)CC2 TS01244 [0,1,0,1,0,0|1,0,0]=3 1895 B12R2.132 c1cc2c(cc1I)C(=O)CO2 TS71576 [0,1,0,1,0,0|1,0,0]=3 1896 B12R2.132 c1cc2c(cc1I)C(=O)OC2 TS59736 [0,1,0,1,0,0|1,0,0]=3 1897 B12R2.132 c1cc2c(cc1N)C(=O)CC2 TS01205 [0,1,0,1,0,0|1,0,0]=3 1898 B12R2.132 c1cc2c(cc1N)C(=O)NC2 TS91611 [0,1,0,1,0,0|1,0,0]=3 1899 B12R2.132 c1cc2c(cc1N)C(=O)OC2 TS01209 [0,1,0,1,0,0|1,0,0]=3 1900 B12R2.132 c1cc2c(cc1O)C(=O)CC2 TS55597 [0,1,0,1,0,0|1,0,0]=3 1901 B12R2.132 c1cc2c(cc1O)C(=O)NC2 TS40732 [0,1,0,1,0,0|1,0,0]=3 1902 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [0,1,0,1,0,0|1,0,0]=3 1903 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,1,0,1,0,0|1,0,0]=3 1904 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)S TS94295 [0,1,0,1,0,0|1,1,0]=4 1905 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,1,0,1,0,0|2,0,0]=4 1906 B12R2.606 Cc1ccc2c(c1)cc(s2)Br TS52472 [0,1,0,1,0,0|2,0,0]=4 1907 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,1,0,1,0,0|2,0,0]=4 1908 B12R2.606 Cc1ccc2c(c1)nc([nH]2)C TS40430 [0,1,0,1,0,0|2,0,0]=4 1909 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N TS40540 [0,1,0,1,0,0|2,0,0]=4 1910 B12R2.606 Cc1ccc2c(c1)nc([se]2)C TS43742 [0,1,0,1,0,0|2,0,0]=4 1911 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,1,0,1,0,0|2,0,0]=4 1912 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,1,0,1,0,0|1,1,0]=4 1913 B12R2.606 Cc1ccc2c(c1)nc(s2)N TS08953 [0,1,0,1,0,0|2,0,0]=4 1914 B12R2.606 Cc1ccc2c(c1)nc(s2)S TS48128 [0,1,0,1,0,0|1,1,0]=4 1915 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 TS42926 [0,1,0,1,0,0|1,0,0]=3 1916 B12R2.606 Cc1ccc2c(c1)sc(n2)Br TS85132 [0,1,0,1,0,0|1,1,0]=4 1917 B12R2.606 Cc1ccc2c(c1)sc(n2)C TS11740 [0,1,0,1,0,0|1,1,0]=4 1918 B12R2.606 Cc1ccc2c(c1)sc(n2)Cl TS07937 [0,1,0,1,0,0|1,1,0]=4 1919 B12R2.606 Cc1ccc2c(c1)sc(n2)N TS16301 [0,1,0,1,0,0|1,1,0]=4 1920 B12R2.606 Cc1ccc2c(c1)sc(n2)S TS48130 [0,1,0,1,0,0|1,1,0]=4 1921 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,1,0,1,0,0|0,1,1]=4 1922 B12R2.606 c1c(cnc2c1NC(=O)C2)Br TS89000 [0,1,0,1,0,0|2,0,0]=4 1923 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl TS88444 [0,1,0,1,0,0|2,0,0]=4 1924 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 TS87018 [0,1,0,1,0,0|2,0,0]=4 1925 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl TS89332 [0,1,0,1,0,0|2,0,0]=4 1926 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,1,0,1,0,0|1,0,0]=3 1927 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,1,0,1,0,0|2,0,0]=4 1928 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [0,1,0,1,0,0|1,0,0]=3 1929 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,1,0,1,0,0|2,0,0]=4 1930 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [0,1,0,1,0,0|2,0,0]=4 1931 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,1,0,1,0,0|2,0,0]=4 1932 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,1,0,1,0,0|2,0,0]=4 1933 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,1,0,1,0,0|1,0,0]=3 1934 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [0,1,0,1,0,0|1,0,0]=3 1935 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [0,1,0,1,0,0|2,0,0]=4 1936 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [0,1,0,1,0,0|2,0,0]=4 1937 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [0,1,0,1,0,0|2,0,0]=4 1938 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [0,1,0,1,0,0|2,0,0]=4 1939 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,1,0,1,0,0|1,0,0]=3 1940 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,1,0,1,0,0|2,0,0]=4 1941 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [0,1,0,1,0,0|1,0,0]=3 1942 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [0,1,0,1,0,0|2,0,0]=4 1943 B12R2.606 c1cc2c(cc1F)sc(=O)[nH]2 TS01225 [0,1,0,1,0,0|2,0,0]=4 1944 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [0,1,0,1,0,0|2,0,0]=4 1945 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,1,0,1,0,0|2,0,0]=4 1946 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [0,1,0,1,0,0|1,0,0]=3 1947 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [0,1,0,1,0,0|2,0,0]=4 1948 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 TS00366 [0,1,0,1,0,0|2,0,0]=4 1949 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,1,0,1,0,0|2,0,0]=4 1950 B12R2.606 c1cc2c(cc1O)CC(=O)O2 TS07646 [0,1,0,1,0,0|2,0,0]=4 1951 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [0,1,0,1,0,0|1,0,0]=3 1952 B12R2.606 c1cc2c(cc1O)oc(=O)[nH]2 TS10001 [0,1,0,1,0,0|2,0,0]=4 1953 B12R2.606 c1cc2c(cc1O)oc(=O)s2 TS12513 [0,1,0,1,0,0|2,0,0]=4 1954 B12R2.606 c1cc2c(cc1O)sc(=O)o2 TS12515 [0,1,0,1,0,0|2,0,0]=4 1955 B12R2.290 Cc1ccc(cc1)C2(CC2)N TS40560 [0,1,0,1,0,0|1,0,1]=4 1956 B12R2.246 Cc1cc(c2c(c1)CC=C2)C TS06995 [0,1,0,1,0,0|1,0,1]=4 1957 B12R2.246 Cc1cc(c2c(c1)scn2)O TS94271 [0,1,0,1,0,0|1,1,0]=4 1958 B12R2.246 Cc1cc(c2cc[nH]c2c1)C TS07120 [0,1,0,1,0,0|1,0,1]=4 1959 B12R2.246 Cc1cc2c(cc[nH]2)c(c1)O TS07345 [0,1,0,1,0,0|1,0,1]=4 1960 B12R2.246 c1c(cc(c2c1C=CC2)F)F TS41101 [0,1,0,1,0,0|2,0,0]=4 1961 B12R2.9 COc1ccc(cc1)[C@@H]2CO2 TS40847 [0,1,0,1,0,0|0,0,2]=4 1962 B12R2.9 c1cc(ccc1CBr)C2CC2 TS43953 [0,1,0,1,0,0|1,0,1]=4 1963 B12R2.44 CCc1ccc2c(c1)cc[nH]2 TS03293 [0,1,0,1,0,0|2,0,0]=4 1964 B12R2.44 CCc1ccc2cc[nH]c2c1 TS60097 [0,1,0,1,0,0|1,0,1]=4 1965 B12R2.44 COc1ccc2c(c1)C=CC2 TS07229 [0,1,0,1,0,0|1,0,0]=3 1966 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [0,1,0,1,0,0|1,0,1]=4 1967 B12R2.44 COc1ccc2c(c1)CNC2 TS03348 [0,1,0,1,0,0|2,0,0]=4 1968 B12R2.44 COc1ccc2c(c1)NCC2 TS01254 [0,1,0,1,0,0|1,0,1]=4 1969 B12R2.44 COc1ccc2c(c1)NCC2 TS65173 [0,1,0,1,0,0|1,0,1]=4 1970 B12R2.44 COc1ccc2c(c1)[nH]cn2 TS07430 [0,1,0,1,0,0|2,0,0]=4 1971 B12R2.44 COc1ccc2c(c1)cc[nH]2 TS40531 [0,1,0,1,0,0|2,0,0]=4 1972 B12R2.44 COc1ccc2c(c1)cco2 TS01139 [0,1,0,1,0,0|2,0,0]=4 1973 B12R2.44 COc1ccc2c(c1)scn2 TS55615 [0,1,0,1,0,0|1,1,0]=4 1974 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [0,1,0,1,0,0|1,0,1]=4 1975 B12R2.44 CSc1ccc2c(c1)cc[nH]2 TS42625 [0,1,0,1,0,0|2,0,0]=4 1976 B12R2.44 c1cc(cc2c1cc[nH]2)CN TS40433 [0,1,0,1,0,0|1,0,1]=4 1977 B12R2.44 c1cc(cc2c1cc[nH]2)CO TS07327 [0,1,0,1,0,0|1,0,1]=4 1978 B12R2.44 c1cc2c(cc1CN)scn2 TS11918 [0,1,0,1,0,0|1,1,0]=4 1979 B12R2.44 c1cc2c(cc1CO)nc[nH]2 TS40612 [0,1,0,1,0,0|2,0,0]=4 1980 B12R2.44 c1cc2c(cc1CO)scn2 TS42920 [0,1,0,1,0,0|1,1,0]=4 1981 B12R2.44 c1cc2c(cc[nH]2)cc1CN TS40439 [0,1,0,1,0,0|2,0,0]=4 1982 B12R2.44 c1cc2c(cc[nH]2)cc1CO TS01497 [0,1,0,1,0,0|2,0,0]=4 1983 B12R2.44 c1cc2c(cco2)cc1CN TS00401 [0,1,0,1,0,0|2,0,0]=4 1984 B12R2.44 c1cc2c(cco2)cc1CO TS07418 [0,1,0,1,0,0|2,0,0]=4 1985 B12R2.44 c1cc2c(ccs2)cc1CN TS42626 [0,1,0,1,0,0|2,0,0]=4 1986 B12R2.44 c1cc2c(ccs2)cc1CO TS11912 [0,1,0,1,0,0|2,0,0]=4 1987 B12R2.100 Cc1cc2c(cc1C)nc[nH]2 TS40444 [0,1,0,1,0,0|2,0,0]=4 1988 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,0,0,0,1,0|0,0,2]=4 1989 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,1,0|1,0,1]=4 1990 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [1,0,0,0,1,0|2,0,0]=4 1991 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [1,0,0,0,1,0|2,0,0]=4 1992 B8R1.1 Cc1cc(no1)C=O TS08758 [1,0,0,0,1,0|2,0,0]=4 1993 B8R1.1 Cc1cc(oc1)CN TS89029 [1,0,0,0,1,0|2,0,0]=4 1994 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,0,0,0,1,0|1,0,0]=3 1995 B8R1.1 Cc1cc(sc1)CN TS36247 [1,0,0,0,1,0|2,0,0]=4 1996 B8R1.1 Cc1cc(sc1)CO TS05369 [1,0,0,0,1,0|1,0,1]=4 1997 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,0,0,0,1,0|1,0,0]=3 1998 B8R1.1 Cc1ccc(o1)CBr TS13614 [1,0,0,0,1,0|2,0,0]=4 1999 B8R1.1 Cc1ccc(o1)CN TS31873 [1,0,0,0,1,0|2,0,0]=4 2000 B8R1.1 Cc1ccc(o1)CO TS39784 [1,0,0,0,1,0|1,0,1]=4 2001 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,0,0,0,1,0|1,0,0]=3 2002 B8R1.1 Cc1ccc(s1)CN TS36252 [1,0,0,0,1,0|2,0,0]=4 2003 B8R1.1 Cc1coc(n1)C=O TS90033 [1,0,0,0,1,0|2,0,0]=4 2004 B8R1.1 Cc1csc(n1)C=O TS86523 [1,0,0,0,1,0|2,0,0]=4 2005 B8R1.1 Cc1nc(cs1)C=O TS55442 [1,0,0,0,1,0|2,0,0]=4 2006 B8R1.1 Cc1ncc(o1)C=O TS02441 [1,0,0,0,1,0|2,0,0]=4 2007 B8R1.1 Cn1cc(cn1)C=O TS00477 [1,0,0,0,1,0|2,0,0]=4 2008 B8R1.1 Cn1cc(nc1)C=O TS31819 [1,0,0,0,1,0|2,0,0]=4 2009 B8R1.1 Cn1ccc(n1)C=O TS00048 [1,0,0,0,1,0|2,0,0]=4 2010 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [1,0,0,0,1,0|2,0,0]=4 2011 B8R1.1 c1c(coc1C=O)Br TS39327 [1,0,0,0,1,0|2,0,0]=4 2012 B8R1.1 c1c(csc1Br)C=O TS90833 [1,0,0,0,1,0|2,0,0]=4 2013 B8R1.1 c1c(csc1C=O)Br TS70971 [1,0,0,0,1,0|2,0,0]=4 2014 B8R1.1 c1c(csc1C=O)Cl TS88146 [1,0,0,0,1,0|2,0,0]=4 2015 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,0,0,0,1,0|2,0,0]=4 2016 B8R1.1 c1cc(oc1C=O)Br TS71428 [1,0,0,0,1,0|2,0,0]=4 2017 B8R1.1 c1cc(oc1C=O)I TS50041 [1,0,0,0,1,0|2,0,0]=4 2018 B8R1.1 c1cc(sc1C=O)Br TS71469 [1,0,0,0,1,0|2,0,0]=4 2019 B8R1.1 c1cc(sc1C=O)Cl TS60086 [1,0,0,0,1,0|2,0,0]=4 2020 B8R1.1 c1cc(sc1C=O)Cl TS77528 [1,0,0,0,1,0|2,0,0]=4