0 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.20 CC(=O)Nc1ccc(cn1)Br TS08255 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.20 CC(=O)Nc1ccc(cn1)F TS07931 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.20 CC(=O)Nc1ccc(cn1)I TS29744 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.20 CC(=O)Nc1ccc(cn1)N TS60254 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.20 CC(C)Oc1ccc(cn1)Br TS85279 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.20 CC(C)Oc1ccc(cn1)N TS10201 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,0,0,0,0,0|1,0,0]=1 34 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,0,0,0,0,0|2,1,0]=3 37 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,0,0,0,0,0|1,0,0]=1 40 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,0,0,0,0,0|2,1,0]=3 42 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,0,0,0,0,0|0,0,0]=0 43 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,0,0,0,0,0|1,0,0]=1 44 B11R1.20 Cc1ccc(cc1)OC(=S)Cl TS15735 [0,0,0,0,0,0|1,1,0]=2 45 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [0,0,0,0,0,0|2,0,1]=3 46 B11R1.20 Cc1ccc(nc1)NC(=O)C TS09893 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,0,0,0,0,0|3,1,0]=4 61 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.20 c1cc(ccc1N)OC(F)F TS16906 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,0,0,0,0,0|3,1,0]=4 71 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,0,0,0,0,0|3,1,0]=4 72 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,0,0,0,0,0|3,1,0]=4 73 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,0,0,0,0,0|3,1,0]=4 74 B11R1.20 c1cc(ccc1O)OC(F)F TS42116 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,0,0,0,0,0|2,0,0]=2 77 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.20 c1cc(ccc1OC(=S)Cl)Cl TS20311 [0,0,0,0,0,0|2,1,0]=3 79 B11R1.20 c1cc(ccc1OC(=S)Cl)F TS17194 [0,0,0,0,0,0|2,1,0]=3 80 B11R1.20 c1cc(ccc1OC(F)F)Br TS50248 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.20 c1cc(ccc1OC(F)F)I TS30740 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.20 c1cc(ncc1Br)CC(=O)O TS90866 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.20 c1cc(ncc1I)CC(=O)O TS88353 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.20 c1cn(ccc1=O)CC(=O)O TS41243 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,0,0,0,0,0|2,0,1]=4 88 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,0,0,0,0,0|1,0,1]=3 89 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,0,0,0,0,0|1,0,1]=3 95 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,0,0,0,0,0|0,0,1]=2 98 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,0,0,0,0,0|1,0,1]=3 99 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,0,0,0,0,0|1,0,1]=3 100 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,0,0,0,0,0|1,0,1]=3 102 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,0,0,0,0,0|1,0,1]=3 103 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,0,0,0,0,0|1,0,1]=3 104 B10R1.1 CCOc1ccc(cn1)Br TS71417 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.1 CCOc1ccc(cn1)N TS37183 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.1 CCOc1cnc(cn1)C TS06278 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,0,0,0,0,0|1,1,1]=4 111 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,0,0,0,0,0|1,1,1]=4 112 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.1 COCc1ccc(cc1)F TS37375 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,0,0,0,0,0|1,0,2]=4 122 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [1,0,0,0,0,0|1,1,1]=4 125 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [1,0,0,0,0,0|1,0,0]=2 126 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,0,0,0,0,0|1,1,1]=4 127 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.1 c1cc(ccc1NC=O)F TS37270 [1,0,0,0,0,0|2,0,0]=3 139 B10R1.1 c1cc(ccc1NC=O)O TS37097 [1,0,0,0,0,0|2,0,0]=3 140 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,0,0,0,0,0|1,0,0]=2 150 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [1,0,0,0,0,0|1,0,0]=2 154 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,0,0,0,0,0|0,1,0]=2 155 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,0,0,0,0,0|1,1,0]=3 156 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,0,0,0,0,0|1,1,1]=4 159 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,0,0,0,0,0|1,0,2]=4 162 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,0,0,0,0,0|2,0,0]=3 165 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,0,0,0,0,0|2,1,0]=4 168 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,0,0,0,0,0|2,1,0]=4 179 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,0,0,0,0,0|2,1,0]=4 184 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [1,0,0,0,0,0|1,0,0]=2 185 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [1,0,0,0,0,0|1,1,0]=3 187 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [1,0,0,0,0,0|1,1,0]=3 188 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.18 c1ccc(cc1)OP(Cl)Cl TS17988 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [1,0,0,0,0,0|1,2,0]=4 191 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,0,0,0,0,0|3,0,0]=4 195 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [0,1,0,0,0,0|1,0,0]=2 196 B12R1.4 CC(=O)Nc1ccc(cc1)C#N TS42159 [0,1,0,0,0,0|1,0,1]=3 197 B12R1.4 CC(=O)Nc1ccc(cc1)C=C TS42323 [0,1,0,0,0,0|1,0,1]=3 198 B12R1.4 CC(=O)Nc1ccc(cc1)C=O TS02941 [0,1,0,0,0,0|1,0,1]=3 199 B12R1.4 CC(=O)Nc1ccc(cc1)CCl TS48490 [0,1,0,0,0,0|1,0,0]=2 200 B12R1.4 CC(=O)Nc1ccc(cc1)CN TS02940 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.4 CC(=O)Nc1ccc(cc1)CO TS42884 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.4 CC(=O)Nc1ccc(cc1)NN TS19291 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [0,1,0,0,0,0|1,0,0]=2 204 B12R1.4 CC(=O)Nc1ccc(cc1)SC TS48120 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.4 CC(=O)Oc1ccc(cc1)C=C TS33212 [0,1,0,0,0,0|0,0,1]=2 206 B12R1.4 CC(=O)Oc1ccc(cc1)C=O TS02943 [0,1,0,0,0,0|0,0,1]=2 207 B12R1.4 CC(=O)Oc1ccc(cc1)CCl TS48657 [0,1,0,0,0,0|0,0,0]=1 208 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.4 CC(C)Oc1ccc(cc1)C=O TS09726 [0,1,0,0,0,0|1,0,2]=4 210 B12R1.4 CC(C)Oc1ccc(cc1)NN TS19493 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.4 CC(C)Oc1ccc(cn1)CO TS43237 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.4 CCc1ccc(cc1)CC(=O)C TS11597 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.4 CCc1ccc(cc1)NC(=S)N TS14657 [0,1,0,0,0,0|2,1,0]=4 215 B12R1.4 CCc1ccc(cc1)OC(=O)C TS11867 [0,1,0,0,0,0|0,0,0]=1 216 B12R1.4 COc1ccc(cc1)CC(=O)Cl TS48666 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.4 COc1ccc(cc1)CC(=O)N TS12026 [0,1,0,0,0,0|2,0,0]=3 218 B12R1.4 COc1ccc(cc1)CC(=O)O TS12167 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.4 COc1ccc(cc1)CC(=S)N TS14830 [0,1,0,0,0,0|2,1,0]=4 220 B12R1.4 COc1ccc(cc1)NC(=N)N TS12040 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.4 COc1ccc(cc1)NC(=N)N TS19287 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.4 COc1ccc(cc1)NC(=O)N TS12234 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.4 COc1ccc(cc1)NC(=S)N TS48305 [0,1,0,0,0,0|2,1,0]=4 224 B12R1.4 COc1ccc(cc1)OC(=O)Cl TS15706 [0,1,0,0,0,0|1,0,0]=2 225 B12R1.4 CSc1ccc(cc1)CC(=O)O TS70786 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.4 c1cc(ccc1CBr)OC(F)F TS56894 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.4 c1cc(ccc1CC(=O)O)C#N TS03064 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.4 c1cc(ccc1CC(=O)O)CBr TS16900 [0,1,0,0,0,0|2,0,0]=3 230 B12R1.4 c1cc(ccc1CC(=O)O)CCl TS15379 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.4 c1cc(ccc1CC(=O)O)CN TS12032 [0,1,0,0,0,0|2,0,0]=3 232 B12R1.4 c1cc(ccc1CC(=O)O)CO TS12166 [0,1,0,0,0,0|2,0,0]=3 233 B12R1.4 c1cc(ccc1CN)OC(F)F TS45594 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.4 c1cc(ccc1CO)OC(F)F TS45724 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl TS19510 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br TS62637 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F TS15871 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O TS15512 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br TS53264 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F TS12965 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl TS48677 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [0,1,0,0,0,0|2,0,0]=3 243 B12R1.19 CC(C)Oc1ccc(c(c1)F)F TS13131 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.19 CC(C)Oc1ccc(c(c1)F)N TS38897 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Br TS24665 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Cl TS15397 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.19 Cc1cc(ncc1Br)NC(=O)C TS52800 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.19 Cc1cc(ncc1Cl)NC(=O)C TS15396 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.19 Cc1cc(ncc1F)NC(=O)C TS12512 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.19 Cc1cc(ncc1N)NC(=O)C TS12036 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,1,0,0,0,0|1,0,0]=2 253 B12R1.19 Cc1ccc(cc1C)NC(=S)N TS14663 [0,1,0,0,0,0|2,1,0]=4 254 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C TS48493 [0,1,0,0,0,0|1,0,0]=2 255 B12R1.19 Cc1ccc(cc1Cl)NC(=O)N TS48676 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.19 Cc1ccc(cc1Cl)NC(=S)N TS38029 [0,1,0,0,0,0|2,1,0]=4 257 B12R1.19 Cc1ccc(cc1F)CC(=C)Br TS24669 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.19 Cc1ccc(cc1F)CC(=O)O TS65518 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.19 Cc1ccc(cc1N)NC(=O)C TS42769 [0,1,0,0,0,0|1,0,0]=2 260 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.19 c1cc(c(cc1CC(=O)O)F)F TS45416 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.19 c1cc(c(cc1CC(=O)O)F)O TS65509 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl TS60194 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.20 CC(=O)N(C)c1ccc(cc1)N TS42768 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.20 Cc1ccc(cc1)N(C)C(=S)Cl TS37823 [0,1,0,0,0,0|2,1,0]=4 279 B12R1.20 Cc1ccc(cc1)[C@H](C(=S)O)O TS54028 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl TS14853 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.49 C=CC(=O)Oc1ccc(cc1)Cl TS48354 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [0,1,0,0,0,0|2,0,0]=3 304 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [0,1,0,0,0,0|2,0,0]=3 305 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,1,0,0,0,0|0,1,0]=2 306 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,1,0,0,0,0|2,0,0]=3 308 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,1,0,0,0,0|2,0,0]=3 310 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,1,0,0,0,0|1,0,0]=2 312 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.49 Cc1ccc(cc1)NC(=S)NN TS48123 [0,1,0,0,0,0|2,1,0]=4 314 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [0,1,0,0,0,0|0,1,0]=2 315 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.49 c1cc(ccc1CC(=O)NN)F TS12508 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.49 c1cc(ccc1NC(=O)CCl)Cl TS19677 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.49 c1cc(ccc1NC(=O)CCl)F TS15868 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.49 c1cc(ccc1NC(=O)CCl)I TS35822 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.49 c1cc(ccc1NC(=O)CCl)O TS15525 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS23393 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS48796 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br TS24682 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.106 CC(C)(C)Oc1ccc(cc1)Cl TS48688 [0,1,0,0,0,0|2,0,1]=4 326 B12R1.106 C[Si](C)(C)Oc1ccc(cc1)Br TS27281 [0,1,0,0,0,0|2,1,0]=4 327 B12R1.106 Cc1ccc(cc1)CC(C)(C)O TS40916 [0,1,0,0,0,0|1,0,2]=4 328 B12R1.106 Cc1ccc(cc1)CP(=O)(O)O TS48844 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl TS38721 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.106 Cc1ccc(cc1)OC(F)(F)F TS32979 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.106 c1cc(ccc1N)OP(=O)(O)[O-] TS43945 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.106 c1cc(ccc1N)OS(=O)(=O)O TS20353 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.106 c1cc(ccc1OP(=O)(Cl)Cl)Cl TS27351 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br TS35572 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl TS62639 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.233 CC(=O)Nc1ccc(cc1Br)F TS53262 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br TS62638 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl TS19672 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F TS15864 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N TS48672 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.233 CC(=O)Nc1ccc(cc1F)Br TS53265 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl TS15870 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.233 CC(=O)Nc1ccc(cc1F)F TS12962 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.233 CC(=O)Oc1ccc(cc1Cl)Cl TS19905 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.233 CC(C)Oc1ccc(cc1Br)F TS25335 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.233 CC(C)Oc1ccc(cc1F)Br TS25336 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.233 Cc1cc(ccc1CC(=O)O)F TS39492 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.233 Cc1cc(ccc1NC(=O)C)Br TS24465 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl TS48492 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.233 Cc1cc(ccc1NC(=O)C)I TS33670 [0,1,0,0,0,0|2,0,0]=3 353 B12R1.233 Cc1cc(ccc1NC(=O)C)N TS42765 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.233 Cc1cc(ncc1NC(=O)C)Cl TS15393 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C TS24456 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N TS11899 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.233 Cc1ccc(c(c1)C)NC(=S)N TS14656 [0,1,0,0,0,0|2,1,0]=4 358 B12R1.233 Cc1ccc(c(c1)N)NC(=O)C TS11904 [0,1,0,0,0,0|1,0,0]=2 359 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O TS16944 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O TS16843 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O TS39486 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O TS08321 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.233 c1cc(c(cc1F)Cl)OC(=O)O TS17183 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.233 c1cc(c(cc1F)F)CC(=O)O TS00637 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.233 c1cc(c(cc1O)F)CC(=O)O TS08416 [0,1,0,0,0,0|3,0,0]=4 370 B12R2.606 Cc1[nH]c2cc(ccc2n1)Br TS09793 [0,0,0,1,0,0|3,0,0]=4 371 B12R2.606 Cc1[nH]c2cc(ccc2n1)Cl TS12316 [0,0,0,1,0,0|3,0,0]=4 372 B12R2.606 Cc1[nH]c2cc(ccc2n1)F TS09850 [0,0,0,1,0,0|3,0,0]=4 373 B12R2.606 Cc1[nH]c2cc(ccc2n1)N TS55443 [0,0,0,1,0,0|3,0,0]=4 374 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br TS20836 [0,0,0,1,0,0|3,0,0]=4 375 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl TS60433 [0,0,0,1,0,0|3,0,0]=4 376 B12R2.606 Cc1cc2cc(ccc2[nH]1)F TS71549 [0,0,0,1,0,0|3,0,0]=4 377 B12R2.606 Cc1cc2cc(ccc2[nH]1)N TS40440 [0,0,0,1,0,0|3,0,0]=4 378 B12R2.606 Cc1cc2cc(ccc2[nH]1)O TS40522 [0,0,0,1,0,0|3,0,0]=4 379 B12R2.606 Cc1cc2cc(ccc2o1)I TS68076 [0,0,0,1,0,0|2,0,0]=3 380 B12R2.606 Cc1cc2cc(ccc2o1)N TS07331 [0,0,0,1,0,0|2,0,0]=3 381 B12R2.606 Cc1cc2ccc(cc2[nH]1)O TS40529 [0,0,0,1,0,0|3,0,0]=4 382 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)[nH]2 TS07438 [0,0,0,1,0,0|2,0,0]=3 383 B12R2.606 Cc1ccc2c(c1)[nH]c(=O)o2 TS40723 [0,0,0,1,0,0|1,0,0]=2 384 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)S TS94295 [0,0,0,1,0,0|2,1,0]=4 385 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C TS47275 [0,0,0,1,0,0|2,0,0]=3 386 B12R2.606 Cc1ccc2c(c1)cc(s2)Br TS52472 [0,0,0,1,0,0|1,1,1]=4 387 B12R2.606 Cc1ccc2c(c1)cc(s2)C TS11615 [0,0,0,1,0,0|1,1,0]=3 388 B12R2.606 Cc1ccc2c(c1)nc([nH]2)C TS40430 [0,0,0,1,0,0|2,0,0]=3 389 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N TS40540 [0,0,0,1,0,0|3,0,0]=4 390 B12R2.606 Cc1ccc2c(c1)nc([se]2)C TS43742 [0,0,0,1,0,0|1,1,0]=3 391 B12R2.606 Cc1ccc2c(c1)nc(o2)C TS40520 [0,0,0,1,0,0|1,0,0]=2 392 B12R2.606 Cc1ccc2c(c1)nc(o2)S TS42919 [0,0,0,1,0,0|1,1,0]=3 393 B12R2.606 Cc1ccc2c(c1)nc(s2)N TS08953 [0,0,0,1,0,0|2,1,0]=4 394 B12R2.606 Cc1ccc2c(c1)nc(s2)S TS48128 [0,0,0,1,0,0|1,2,0]=4 395 B12R2.606 Cc1ccc2c(c1)sc(=O)[nH]2 TS42926 [0,0,0,1,0,0|2,0,0]=3 396 B12R2.606 Cc1ccc2c(c1)sc(n2)Br TS85132 [0,0,0,1,0,0|2,1,0]=4 397 B12R2.606 Cc1ccc2c(c1)sc(n2)C TS11740 [0,0,0,1,0,0|1,1,0]=3 398 B12R2.606 Cc1ccc2c(c1)sc(n2)Cl TS07937 [0,0,0,1,0,0|2,1,0]=4 399 B12R2.606 Cc1ccc2c(c1)sc(n2)N TS16301 [0,0,0,1,0,0|2,1,0]=4 400 B12R2.606 Cc1ccc2c(c1)sc(n2)S TS48130 [0,0,0,1,0,0|2,1,0]=4 401 B12R2.606 Cc1ccc2cc(sc2c1)C TS77504 [0,0,0,1,0,0|1,1,0]=3 402 B12R2.606 Cc1ccn2cc(nc2c1)C TS40448 [0,0,0,1,0,0|3,0,0]=4 403 B12R2.606 Cc1nc2cc(ccc2o1)Cl TS43275 [0,0,0,1,0,0|2,0,0]=3 404 B12R2.606 Cc1nc2cc(ccc2o1)N TS40623 [0,0,0,1,0,0|2,0,0]=3 405 B12R2.606 Cc1nc2cc(ccc2o1)O TS40718 [0,0,0,1,0,0|2,0,0]=3 406 B12R2.606 Cc1nc2cc(ccc2s1)Br TS08701 [0,0,0,1,0,0|2,1,0]=4 407 B12R2.606 Cc1nc2cc(ccc2s1)Cl TS39770 [0,0,0,1,0,0|2,1,0]=4 408 B12R2.606 Cc1nc2cc(ccc2s1)F TS12390 [0,0,0,1,0,0|2,1,0]=4 409 B12R2.606 Cc1nc2cc(ccc2s1)N TS11917 [0,0,0,1,0,0|2,1,0]=4 410 B12R2.606 Cc1nc2cc(ccc2s1)N TS26018 [0,0,0,1,0,0|2,1,0]=4 411 B12R2.606 Cc1nc2ccc(cc2o1)Cl TS43270 [0,0,0,1,0,0|2,0,1]=4 412 B12R2.606 Cc1nc2ccc(cc2o1)N TS55441 [0,0,0,1,0,0|2,0,1]=4 413 B12R2.606 Cc1nc2ccc(cc2s1)Br TS22917 [0,0,0,1,0,0|2,1,0]=4 414 B12R2.606 Cc1nc2ccc(cc2s1)Cl TS15197 [0,0,0,1,0,0|2,1,0]=4 415 B12R2.606 Cc1nc2ccc(cc2s1)F TS12389 [0,0,0,1,0,0|2,1,0]=4 416 B12R2.606 Cc1nc2ccc(cc2s1)I TS30989 [0,0,0,1,0,0|2,1,0]=4 417 B12R2.606 Cc1nc2ccc(cc2s1)N TS46421 [0,0,0,1,0,0|2,1,0]=4 418 B12R2.606 Cc1nc2ccc(cc2s1)O TS55465 [0,0,0,1,0,0|2,1,0]=4 419 B12R2.606 c1c(cnc2c1CC(=O)N2)Br TS03246 [0,0,0,1,0,0|3,0,0]=4 420 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl TS90494 [0,0,0,1,0,0|3,0,0]=4 421 B12R2.606 c1c(cnc2c1CC(=O)N2)F TS90496 [0,0,0,1,0,0|3,0,0]=4 422 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 TS90064 [0,0,0,1,0,0|3,0,0]=4 423 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 TS90894 [0,0,0,1,0,0|3,0,0]=4 424 B12R2.606 c1cc(nc2c1NC(=O)C2)Br TS85624 [0,0,0,1,0,0|3,0,0]=4 425 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl TS44941 [0,0,0,1,0,0|3,0,0]=4 426 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 TS03251 [0,0,0,1,0,0|2,0,0]=3 427 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 TS09811 [0,0,0,1,0,0|2,0,0]=3 428 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 TS16474 [0,0,0,1,0,0|3,0,0]=4 429 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 TS03247 [0,0,0,1,0,0|3,0,0]=4 430 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)o2 TS44434 [0,0,0,1,0,0|2,0,0]=3 431 B12R2.606 c1cc2c(cc1Br)nc(o2)N TS44292 [0,0,0,1,0,0|3,0,0]=4 432 B12R2.606 c1cc2c(cc1Br)nc(o2)S TS24830 [0,0,0,1,0,0|2,1,0]=4 433 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 TS55544 [0,0,0,1,0,0|3,0,0]=4 434 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 TS24828 [0,0,0,1,0,0|3,0,0]=4 435 B12R2.606 c1cc2c(cc1Cl)CC(=O)C2 TS12308 [0,0,0,1,0,0|2,0,0]=3 436 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 TS55581 [0,0,0,1,0,0|3,0,0]=4 437 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 TS45043 [0,0,0,1,0,0|2,0,0]=3 438 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)s2 TS09830 [0,0,0,1,0,0|2,1,0]=4 439 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl TS47259 [0,0,0,1,0,0|3,0,0]=4 440 B12R2.606 c1cc2c(cc1Cl)nc(o2)N TS44943 [0,0,0,1,0,0|3,0,0]=4 441 B12R2.606 c1cc2c(cc1Cl)oc(=O)[nH]2 TS45042 [0,0,0,1,0,0|3,0,0]=4 442 B12R2.606 c1cc2c(cc1Cl)sc(=O)[nH]2 TS55564 [0,0,0,1,0,0|3,0,0]=4 443 B12R2.606 c1cc2c(cc1F)CC(=O)C2 TS40837 [0,0,0,1,0,0|2,0,0]=3 444 B12R2.606 c1cc2c(cc1F)CC(=O)N2 TS03325 [0,0,0,1,0,0|2,0,0]=3 445 B12R2.606 c1cc2c(cc1F)NC(=O)C2 TS01232 [0,0,0,1,0,0|3,0,0]=4 446 B12R2.606 c1cc2c(cc1F)[nH]c(=O)[nH]2 TS03295 [0,0,0,1,0,0|3,0,0]=4 447 B12R2.606 c1cc2c(cc1F)nc(o2)N TS41096 [0,0,0,1,0,0|3,0,0]=4 448 B12R2.606 c1cc2c(cc1F)nc(o2)S TS44993 [0,0,0,1,0,0|2,1,0]=4 449 B12R2.606 c1cc2c(cc1F)sc(=O)[nH]2 TS01225 [0,0,0,1,0,0|3,0,0]=4 450 B12R2.606 c1cc2c(cc1I)[nH]c(=O)[nH]2 TS29410 [0,0,0,1,0,0|3,0,0]=4 451 B12R2.606 c1cc2c(cc1N)CC(=O)N2 TS71383 [0,0,0,1,0,0|2,0,0]=3 452 B12R2.606 c1cc2c(cc1N)NC(=O)C2 TS87386 [0,0,0,1,0,0|3,0,0]=4 453 B12R2.606 c1cc2c(cc1N)[nH]c(=O)[nH]2 TS03216 [0,0,0,1,0,0|3,0,0]=4 454 B12R2.606 c1cc2c(cc1N)oc(=O)[nH]2 TS00366 [0,0,0,1,0,0|3,0,0]=4 455 B12R2.606 c1cc2c(cc1O)CC(=O)N2 TS03339 [0,0,0,1,0,0|2,0,0]=3 456 B12R2.606 c1cc2c(cc1O)CC(=O)O2 TS07646 [0,0,0,1,0,0|1,0,0]=2 457 B12R2.606 c1cc2c(cc1O)NC(=O)C2 TS16297 [0,0,0,1,0,0|3,0,0]=4 458 B12R2.606 c1cc2c(cc1O)oc(=O)[nH]2 TS10001 [0,0,0,1,0,0|3,0,0]=4 459 B12R2.606 c1cc2c(cc1O)oc(=O)s2 TS12513 [0,0,0,1,0,0|2,1,0]=4 460 B12R2.606 c1cc2c(cc1O)sc(=O)o2 TS12515 [0,0,0,1,0,0|2,0,0]=3 461 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,0,0,0,1,0|2,0,1]=4 462 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,0,0,0,1,0|2,0,0]=3 463 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,0,0,0,1,0|2,0,0]=3 464 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,0,0,0,1,0|1,0,0]=2 465 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,0,0,0,1,0|1,0,0]=2 466 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,0,0,0,1,0|1,0,0]=2 467 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,0,0,0,1,0|1,0,0]=2 468 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,0,0,0,1,0|1,0,0]=2 469 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,0,0,0,1,0|2,0,0]=3 470 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,0,0,0,1,0|2,0,0]=3 471 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,0,0,0,1,0|2,0,0]=3 472 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,0,0,0,1,0|2,0,0]=3 473 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,0,0,0,1,0|3,0,0]=4 474 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,0,0,0,1,0|2,0,0]=3 475 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,0,0,0,1,0|3,0,0]=4 476 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,0,0,0,1,0|3,0,0]=4 477 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,0,0,0,1,0|3,0,0]=4 478 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,0,0,0,1,0|2,0,1]=4 479 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,0,0,0,1,0|2,0,1]=4 480 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,0,0,0,1,0|2,0,1]=4 481 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,0,0,0,1,0|2,0,1]=4 482 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,0,0,0,1,0|2,0,1]=4 483 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,0,0,0,1,0|2,0,1]=4 484 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,0,0,0,1,0|2,0,1]=4 485 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,0,0,0,1,0|1,0,2]=4 486 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,0,0,0,1,0|1,0,2]=4 487 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,0,0,0,1,0|1,0,2]=4 488 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,0,0,0,1,0|1,0,2]=4 489 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,0,0,0,1,0|3,0,0]=4 490 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,0,0,0,1,0|3,0,0]=4 491 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,0,0,0,1,0|3,0,0]=4 492 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,0,0,0,1,0|3,0,0]=4 493 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,0,0,0,1,0|3,0,0]=4 494 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,0,0,0,1,0|3,0,0]=4 495 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,0,0,0,1,0|2,0,0]=3 496 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,0,0,0,1,0|2,0,0]=3 497 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,0,0,0,1,0|2,0,0]=3 498 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,0,0,0,1,0|2,0,1]=4 499 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,0,0,0,1,0|1,0,2]=4 500 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,0,0,0,1,0|2,0,1]=4 501 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,0,0,0,1,0|1,0,2]=4 502 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,0,0,0,1,0|2,0,1]=4 503 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,0,0,0,1,0|1,0,2]=4 504 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,0,0,0,1,0|2,0,1]=4 505 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,0,0,0,1,0|1,0,2]=4 506 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,0,0,0,1,0|2,0,1]=4 507 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,0,0,0,1,0|1,0,2]=4 508 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,0,0,0,1,0|1,0,2]=4 509 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,0,0,0,1,0|2,0,1]=4 510 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,0,0,0,1,0|2,0,0]=3 511 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,0,0,0,1,0|1,0,0]=2 512 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,0,0,0,1,0|2,0,0]=3 513 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,0,0,0,1,0|0,0,0]=1 514 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,0,0,0,1,0|1,0,0]=2 515 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,0,0,0,1,0|1,0,0]=2 516 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,0,0,0,1,0|1,0,0]=2 517 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,0,0,0,1,0|1,1,0]=3 518 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,0,0,0,1,0|1,0,1]=3 519 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,0,0,0,1,0|1,0,1]=3 520 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,0,0,0,1,0|1,0,1]=3 521 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,0,0,0,1,0|0,0,2]=3 522 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,0,0,0,1,0|2,0,1]=4 523 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,0,0,0,1,0|2,0,0]=3 524 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,0,0,0,1,0|1,0,0]=2 525 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,0,0,0,1,0|1,0,0]=2 526 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,0,0,0,1,0|2,0,0]=3 527 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,0,0,0,1,0|2,0,0]=3 528 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,0,0,0,1,0|2,0,0]=3 529 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,0,0,0,1,0|2,0,0]=3 530 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,0,0,0,1,0|2,0,0]=3 531 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,0,0,0,1,0|2,0,0]=3 532 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,0,0,0,1,0|1,0,1]=3 533 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,0,0,0,1,0|1,0,1]=3 534 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,0,0,0,1,0|1,0,1]=3 535 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,0,0,0,1,0|2,0,0]=3 536 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,0,0,0,1,0|1,0,0]=2 537 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,0,0,0,1,0|2,0,0]=3 538 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,0,0,0,1,0|2,0,0]=3 539 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,0,0,0,1,0|2,1,0]=4 540 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,0,0,0,1,0|3,0,0]=4 541 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,0,0,0,1,0|1,0,0]=2 542 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,0,0,0,1,0|2,0,0]=3 543 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,0,0,0,1,0|2,0,1]=4 544 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,0,0,0,1,0|3,0,0]=4 545 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,0,0,0,1,0|3,0,0]=4 546 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,0,0,0,1,0|3,0,0]=4 547 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,0,0,0,1,0|3,0,0]=4 548 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,0,0,0,1,0|3,0,0]=4 549 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,0,0,0,1,0|3,0,0]=4 550 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,0,0,0,1,0|3,0,0]=4 551 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,0,0,0,1,0|3,0,0]=4 552 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,0,0,0,1,0|3,0,0]=4 553 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,0,0,0,1,0|3,0,0]=4 554 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,0,0,0,1,0|3,0,0]=4 555 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,0,0,0,1,0|3,0,0]=4 556 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,0,0,0,1,0|3,0,0]=4 557 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,0,0,0,1,0|3,0,0]=4 558 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,0,0,0,1,0|3,0,0]=4 559 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,0,0,0,1,0|2,0,0]=3 560 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,0,0,0,1,0|2,0,0]=3 561 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,0,0,0,1,0|2,0,0]=3 562 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,0,0,0,1,0|2,0,0]=3 563 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,0,0,0,1,0|2,0,0]=3 564 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,0,0,0,1,0|2,0,0]=3 565 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,0,0,0,1,0|2,0,0]=3 566 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,0,0,0,1,0|2,0,0]=3 567 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,0,0,0,1,0|2,0,0]=3 568 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,0,0,0,1,0|2,0,0]=3 569 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,0,0,0,1,0|2,0,0]=3 570 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,0,0,0,1,0|2,0,0]=3 571 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,0,0,0,1,0|2,0,0]=3 572 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,0,0,0,1,0|2,0,0]=3 573 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,0,0,0,1,0|2,0,0]=3 574 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,0,0,0,1,0|2,0,0]=3 575 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,0,0,0,1,0|2,0,0]=3 576 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,0,0,0,1,0|2,0,0]=3 577 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,0,0,0,1,0|2,0,0]=3 578 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,0,0,0,1,0|2,0,0]=3 579 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,0,0,0,1,0|2,0,0]=3 580 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,0,0,0,1,0|2,0,0]=3 581 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,0,0,0,1,0|2,0,0]=3 582 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,0,0,0,1,0|2,1,0]=4 583 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,0,0,0,1,0|2,1,0]=4 584 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,0,0,0,1,0|2,1,0]=4 585 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,0,0,0,1,0|2,1,0]=4 586 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,0,0,0,1,0|2,1,0]=4 587 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,0,0,0,1,0|3,0,0]=4 588 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,0,0,0,1,0|3,0,0]=4 589 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,0,0,0,1,0|3,0,0]=4 590 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,0,0,0,1,0|3,0,0]=4 591 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,0,0,0,1,0|3,0,0]=4 592 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,0,0,0,1,0|3,0,0]=4 593 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,0,0,0,1,0|3,0,0]=4 594 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,0,0,0,1,0|3,0,0]=4 595 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,0,0,0,1,0|3,0,0]=4 596 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,0,0,0,1,0|3,0,0]=4 597 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,0,0,0,1,0|3,0,0]=4 598 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,0,0,0,1,0|3,0,0]=4 599 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,0,0,0,1,0|3,0,0]=4 600 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,0,0,0,1,0|3,0,0]=4 601 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,0,0,0,1,0|3,0,0]=4 602 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,0,0,0,1,0|3,0,0]=4 603 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,0,0,0,1,0|3,0,0]=4 604 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,0,0,0,1,0|3,0,0]=4 605 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,0,0,0,1,0|3,0,0]=4 606 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,0,0,0,1,0|3,0,0]=4 607 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,0,0,0,1,0|3,0,0]=4 608 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,0,0,0,1,0|3,0,0]=4 609 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,0,0,0,1,0|3,0,0]=4 610 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,0,0,0,1,0|3,0,0]=4 611 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,0,0,0,1,0|3,0,0]=4 612 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,0,0,0,1,0|3,0,0]=4 613 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,0,0,0,1,0|3,0,0]=4 614 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,0,0,0,1,0|3,0,0]=4 615 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,0,0,0,1,0|3,0,0]=4 616 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,0,0,0,1,0|3,0,0]=4 617 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,0,0,0,1,0|3,0,0]=4 618 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,0,0,0,1,0|3,0,0]=4 619 B10R1.54 CC(=O)Nc1ccc(s1)Br TS22694 [0,0,0,0,1,0|3,0,0]=4 620 B10R1.54 CC(=O)Nc1ccc(s1)Cl TS13763 [0,0,0,0,1,0|3,0,0]=4 621 B10R1.54 Cc1csc(n1)NC(=O)C TS10706 [0,0,0,0,1,0|3,0,0]=4 622 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [0,0,0,0,0,1|2,0,0]=3 623 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [0,0,0,0,0,1|2,0,0]=3 624 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [0,0,0,0,0,1|2,0,0]=3 625 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,0,0,0,0,1|2,0,0]=3 626 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,0,0,0,0,1|2,0,0]=3 627 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,0,0,0,0,1|1,1,0]=3 628 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,0,0,0,0,1|1,1,0]=3 629 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,0,0,0,0,1|2,0,0]=3 630 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,0,0,0,0,1|1,0,0]=2 631 B12R1.21 CC(=O)O[Hg]c1ccc(cc1)N TS64802 [0,0,0,0,0,1|1,0,0]=2 632 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [0,0,0,0,0,1|2,0,0]=3 633 B12R1.21 Cc1ccc(cc1)C=C[N+](=O)[O-] TS42567 [0,0,0,0,0,1|3,0,0]=4 634 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,0,0,0,0,1|2,0,0]=3 635 B12R1.21 Cc1ccc(cc1)CNC(=S)N TS14660 [0,0,0,0,0,1|2,1,0]=4 636 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,0,0,0,0,1|0,0,0]=1 637 B12R1.21 Cc1ccc(cc1)N=CN(C)C TS42500 [0,0,0,0,0,1|3,0,0]=4 638 B12R1.21 Cc1ccc(cc1)N=NN(C)C TS42609 [0,0,0,0,0,1|3,0,0]=4 639 B12R1.21 Cc1ccc(cc1)OCC(=O)O TS12179 [0,0,0,0,0,1|1,0,0]=2 640 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,0,0,0,0,1|0,0,2]=3 641 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [0,0,0,0,0,1|3,0,0]=4 642 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [0,0,0,0,0,1|3,0,0]=4 643 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [0,0,0,0,0,1|3,0,0]=4 644 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [0,0,0,0,0,1|3,0,0]=4 645 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [0,0,0,0,0,1|3,0,0]=4 646 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [0,0,0,0,0,1|3,0,0]=4 647 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [0,0,0,0,0,1|3,0,0]=4 648 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [0,0,0,0,0,1|3,0,0]=4 649 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,0,0,0,0,1|3,0,0]=4 650 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,0,0,0,0,1|3,0,0]=4 651 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,0,0,0,0,1|3,0,0]=4 652 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,0,0,0,0,1|3,0,0]=4 653 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,0,0,0,0,1|3,0,0]=4 654 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,0,0,0,0,1|3,0,0]=4 655 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,0,0,0,0,1|3,0,0]=4 656 B12R1.21 c1cc(ccc1CNC(=O)N)F TS12511 [0,0,0,0,0,1|3,0,0]=4 657 B12R1.21 c1cc(ccc1CNC(=O)N)N TS12035 [0,0,0,0,0,1|3,0,0]=4 658 B12R1.21 c1cc(ccc1F)SCC(=O)O TS15593 [0,0,0,0,0,1|2,1,0]=4 659 B12R1.21 c1cc(ccc1N)NCC(=O)O TS43068 [0,0,0,0,0,1|3,0,0]=4 660 B12R1.21 c1cc(ccc1N)SCC(=O)O TS15156 [0,0,0,0,0,1|2,1,0]=4 661 B12R1.21 c1cc(ccc1NCC(=O)O)O TS00318 [0,0,0,0,0,1|3,0,0]=4 662 B12R1.21 c1cc(ccc1NCC(=O)O)O TS43213 [0,0,0,0,0,1|3,0,0]=4 663 B12R1.21 c1cc(ccc1O)OCC(=O)O TS44827 [0,0,0,0,0,1|2,0,0]=3 664 B12R1.21 c1cc(ccc1OCC(=N)N)F TS12509 [0,0,0,0,0,1|3,0,0]=4 665 B12R1.21 c1cc(ccc1OCC(=N)[NH3+])F TS19871 [0,0,0,0,0,1|3,0,0]=4 666 B12R1.21 c1cc(ccc1OCC(=O)Cl)F TS16078 [0,0,0,0,0,1|2,0,0]=3 667 B12R1.21 c1cc(ccc1OCC(=O)O)Br TS53125 [0,0,0,0,0,1|2,0,0]=3 668 B12R1.21 c1cc(ccc1OCC(=O)O)Cl TS15705 [0,0,0,0,0,1|2,0,0]=3 669 B12R1.21 c1cc(ccc1OCC(=O)O)F TS45082 [0,0,0,0,0,1|2,0,0]=3 670 B12R1.21 c1cc(ccc1OCC(=O)O)I TS33985 [0,0,0,0,0,1|2,0,0]=3 671 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl TS43547 [0,0,0,0,0,1|2,0,0]=3 672 B12R1.21 c1cc(ccc1SCC(=O)N)Cl TS38177 [0,0,0,0,0,1|2,1,0]=4 673 B12R1.21 c1cc(ccc1SCC(=O)O)Cl TS19487 [0,0,0,0,0,1|2,1,0]=4 674 B9R0.2 CC=CC=CCOC(=O)C TS37384 [1,0,1,0,0,0|0,0,2]=4 675 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [2,0,0,0,0,0|1,0,1]=4 676 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [2,0,0,0,0,0|1,0,1]=4 677 B9R1.1 C=Cc1ccc(cc1)F TS32505 [2,0,0,0,0,0|1,0,1]=4 678 B9R1.1 C=Cc1ccc(cc1)N TS04791 [2,0,0,0,0,0|1,0,1]=4 679 B9R1.1 C=Cc1ccc(cc1)O TS71308 [2,0,0,0,0,0|1,0,1]=4 680 B9R1.1 CCc1ccc(cc1)Br TS01944 [2,0,0,0,0,0|1,0,1]=4 681 B9R1.1 CCc1ccc(cc1)Cl TS37449 [2,0,0,0,0,0|1,0,1]=4 682 B9R1.1 CCc1ccc(cc1)F TS05030 [2,0,0,0,0,0|1,0,1]=4 683 B9R1.1 CCc1ccc(cc1)I TS25158 [2,0,0,0,0,0|1,0,1]=4 684 B9R1.1 CCc1ccc(cc1)N TS04870 [2,0,0,0,0,0|1,0,1]=4 685 B9R1.1 CCc1ccc(cc1)O TS04905 [2,0,0,0,0,0|1,0,1]=4 686 B9R1.1 CCc1ccc(cc1)S TS06298 [2,0,0,0,0,0|1,0,1]=4 687 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [2,0,0,0,0,0|1,0,1]=4 688 B9R1.1 CCc1ccc(nc1)C TS32477 [2,0,0,0,0,0|1,0,1]=4 689 B9R1.1 CNc1ccc(cc1)Br TS48830 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.1 CNc1ccc(cc1)Cl TS37534 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.1 CNc1ccc(cc1)F TS36055 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.1 CNc1ccc(cc1)I TS32640 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.1 CNc1ccc(cc1)N TS04921 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.1 CNc1ccc(cc1)N TS17998 [2,0,0,0,0,0|2,0,0]=4 695 B9R1.1 CNc1ccc(cc1)O TS04963 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.1 CNc1ccc(cc1)O TS78698 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.1 COc1ccc(cc1)Cl TS37682 [2,0,0,0,0,0|1,0,0]=3 698 B9R1.1 COc1ccc(cc1)F TS32969 [2,0,0,0,0,0|1,0,0]=3 699 B9R1.1 COc1ccc(cc1)I TS59516 [2,0,0,0,0,0|1,0,0]=3 700 B9R1.1 COc1ccc(cc1)N TS01634 [2,0,0,0,0,0|1,0,0]=3 701 B9R1.1 COc1ccc(cc1)N TS11193 [2,0,0,0,0,0|1,0,0]=3 702 B9R1.1 COc1ccc(cc1)N TS93025 [2,0,0,0,0,0|1,0,0]=3 703 B9R1.1 COc1ccc(cc1)O TS02083 [2,0,0,0,0,0|1,0,0]=3 704 B9R1.1 COc1ccc(cc1)S TS06486 [2,0,0,0,0,0|1,0,0]=3 705 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [2,0,0,0,0,0|1,0,0]=3 706 B9R1.1 COc1ccc(cn1)Br TS09790 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.1 COc1ccc(cn1)Cl TS71503 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.1 COc1ccc(cn1)F TS71544 [2,0,0,0,0,0|2,0,0]=4 709 B9R1.1 COc1ccc(cn1)I TS01075 [2,0,0,0,0,0|2,0,0]=4 710 B9R1.1 COc1ccc(cn1)N TS05017 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.1 COc1ccc(cn1)O TS71568 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.1 COc1ccc(nc1)Br TS08354 [2,0,0,0,0,0|2,0,0]=4 713 B9R1.1 COc1ccc(nc1)Cl TS00910 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.1 COc1ccc(nc1)N TS47440 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.1 COc1ccn(=O)cc1 TS71219 [2,0,0,0,0,0|2,0,0]=4 716 B9R1.1 CSc1ccc(cc1)Br TS09618 [2,0,0,0,0,0|1,1,0]=4 717 B9R1.1 CSc1ccc(cc1)Cl TS42001 [2,0,0,0,0,0|1,1,0]=4 718 B9R1.1 CSc1ccc(cc1)F TS06687 [2,0,0,0,0,0|1,1,0]=4 719 B9R1.1 CSc1ccc(cc1)I TS27986 [2,0,0,0,0,0|1,1,0]=4 720 B9R1.1 CSc1ccc(cc1)N TS06394 [2,0,0,0,0,0|1,1,0]=4 721 B9R1.1 CSc1ccc(cc1)O TS37396 [2,0,0,0,0,0|1,1,0]=4 722 B9R1.1 CSc1ccc(cc1)S TS41710 [2,0,0,0,0,0|1,1,0]=4 723 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [2,0,0,0,0,0|1,1,0]=4 724 B9R1.1 Cc1ccc(cc1)C#C TS32874 [2,0,0,0,0,0|0,0,2]=4 725 B9R1.1 Cc1ccc(cc1)C#N TS04679 [2,0,0,0,0,0|1,0,1]=4 726 B9R1.1 Cc1ccc(cc1)C=C TS71237 [2,0,0,0,0,0|0,0,1]=3 727 B9R1.1 Cc1ccc(cc1)C=O TS09079 [2,0,0,0,0,0|0,0,0]=2 728 B9R1.1 Cc1ccc(cc1)CBr TS03170 [2,0,0,0,0,0|1,0,1]=4 729 B9R1.1 Cc1ccc(cc1)CCl TS37455 [2,0,0,0,0,0|1,0,1]=4 730 B9R1.1 Cc1ccc(cc1)CN TS32473 [2,0,0,0,0,0|1,0,1]=4 731 B9R1.1 Cc1ccc(cc1)CO TS04902 [2,0,0,0,0,0|0,0,2]=4 732 B9R1.1 Cc1ccc(cc1)CS TS06300 [2,0,0,0,0,0|0,1,1]=4 733 B9R1.1 Cc1ccc(cc1)NC TS32470 [2,0,0,0,0,0|1,0,0]=3 734 B9R1.1 Cc1ccc(cc1)NN TS01655 [2,0,0,0,0,0|2,0,0]=4 735 B9R1.1 Cc1ccc(cc1)NN TS23082 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.1 Cc1ccc(cc1)OC TS04894 [2,0,0,0,0,0|0,0,0]=2 737 B9R1.1 Cc1ccc(cc1)SC TS71244 [2,0,0,0,0,0|0,1,0]=3 738 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [2,0,0,0,0,0|2,0,0]=4 739 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [2,0,0,0,0,0|2,0,0]=4 740 B9R1.1 Cc1ccc(cn1)C=C TS55464 [2,0,0,0,0,0|1,0,1]=4 741 B9R1.1 Cc1ccc(cn1)C=O TS01266 [2,0,0,0,0,0|1,0,0]=3 742 B9R1.1 Cc1ccc(cn1)OC TS04979 [2,0,0,0,0,0|1,0,0]=3 743 B9R1.1 Cc1ccc(nc1)C=O TS01160 [2,0,0,0,0,0|1,0,0]=3 744 B9R1.1 Cc1cnc(cn1)C=O TS88939 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.1 Cc1cnc(nc1)C=O TS90871 [2,0,0,0,0,0|2,0,0]=4 746 B9R1.1 Cc1ncc(cn1)C=O TS08763 [2,0,0,0,0,0|2,0,0]=4 747 B9R1.1 c1cc(ccc1C=O)Br TS09589 [2,0,0,0,0,0|1,0,0]=3 748 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [2,0,0,0,0,0|1,0,0]=3 749 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [2,0,0,0,0,0|1,0,0]=3 750 B9R1.1 c1cc(ccc1C=O)F TS03079 [2,0,0,0,0,0|1,0,0]=3 751 B9R1.1 c1cc(ccc1C=O)I TS71194 [2,0,0,0,0,0|1,0,0]=3 752 B9R1.1 c1cc(ccc1C=O)N TS08868 [2,0,0,0,0,0|1,0,0]=3 753 B9R1.1 c1cc(ccc1C=O)O TS01630 [2,0,0,0,0,0|1,0,0]=3 754 B9R1.1 c1cc(ccc1C=O)O TS42180 [2,0,0,0,0,0|1,0,0]=3 755 B9R1.1 c1cc(ccc1N=O)O TS32551 [2,0,0,0,0,0|2,0,0]=4 756 B9R1.1 c1cc(ncc1Br)C=O TS71427 [2,0,0,0,0,0|2,0,0]=4 757 B9R1.1 c1cc(ncc1C=O)Br TS16478 [2,0,0,0,0,0|2,0,0]=4 758 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [2,0,0,0,0,0|2,0,0]=4 759 B9R1.1 c1cc(ncc1C=O)F TS01040 [2,0,0,0,0,0|2,0,0]=4 760 B9R1.1 c1cc(ncc1C=O)N TS87752 [2,0,0,0,0,0|2,0,0]=4 761 B9R1.1 c1cc(ncc1C=O)O TS55611 [2,0,0,0,0,0|2,0,0]=4 762 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [2,0,0,0,0,0|2,0,0]=4 763 B9R1.1 c1cc(ncc1F)C=O TS60090 [2,0,0,0,0,0|2,0,0]=4 764 B9R1.1 c1cc(ncc1O)C=O TS03343 [2,0,0,0,0,0|2,0,0]=4 765 B9R1.1 c1cn(=O)ccc1C=O TS32549 [2,0,0,0,0,0|2,0,0]=4 766 B9R1.8 C=CCc1ccccc1 TS32347 [2,0,0,0,0,0|1,0,1]=4 767 B9R1.8 C=CSc1ccccc1 TS06113 [2,0,0,0,0,0|0,1,1]=4 768 B9R1.8 CC#Cc1ccccc1 TS04599 [2,0,0,0,0,0|1,0,1]=4 769 B9R1.8 CC=Cc1ccccc1 TS32346 [2,0,0,0,0,0|1,0,0]=3 770 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|1,0,1]=4 771 B9R1.8 CCNc1ccccc1 TS04869 [2,0,0,0,0,0|1,0,1]=4 772 B9R1.8 CCOc1ccccc1 TS04896 [2,0,0,0,0,0|0,0,1]=3 773 B9R1.8 CCOc1ccccn1 TS55309 [2,0,0,0,0,0|1,0,1]=4 774 B9R1.8 CCOc1ccncc1 TS04974 [2,0,0,0,0,0|1,0,1]=4 775 B9R1.8 CCSc1ccccc1 TS06299 [2,0,0,0,0,0|0,1,1]=4 776 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|2,0,0]=4 777 B9R1.8 CNNc1ccccc1 TS85406 [2,0,0,0,0,0|2,0,0]=4 778 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|2,0,0]=4 779 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|2,0,0]=4 780 B9R1.8 CSSc1ccccc1 TS41708 [2,0,0,0,0,0|1,1,0]=4 781 B9R1.8 c1ccc(cc1)C=CBr TS48378 [2,0,0,0,0,0|2,0,0]=4 782 B9R1.8 c1ccc(cc1)C=CCl TS37253 [2,0,0,0,0,0|2,0,0]=4 783 B9R1.8 c1ccc(cc1)C=CN TS55760 [2,0,0,0,0,0|2,0,0]=4 784 B9R1.8 c1ccc(cc1)N=C=O TS32396 [2,0,0,0,0,0|1,0,1]=4 785 B9R1.8 c1ccc(cc1)NC=O TS04863 [2,0,0,0,0,0|1,0,0]=3 786 B9R1.8 c1ccc(cc1)OC#N TS32392 [2,0,0,0,0,0|1,0,1]=4 787 B9R1.8 c1ccc(cc1)OC=O TS32488 [2,0,0,0,0,0|0,0,0]=2 788 B9R1.8 c1ccnc(c1)NC=O TS32499 [2,0,0,0,0,0|2,0,0]=4 789 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.1 CCCCc1ccc(cc1)C TS07510 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [1,1,0,0,0,0|1,0,1]=4 792 B11R1.1 CCCOc1ccc(cc1)N TS10071 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.1 CCCOc1ccc(cc1)O TS71268 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [1,1,0,0,0,0|1,0,0]=3 796 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.1 Cc1ccc(cc1)CN=C=O TS07342 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.1 Cc1ccc(cc1)NN=NC TS07576 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.1 Cc1ccc(cc1)NNC=O TS09888 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [1,1,0,0,0,0|0,0,2]=4 802 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [1,1,0,0,0,0|0,0,1]=3 803 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [1,1,0,0,0,0|0,0,0]=2 804 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [1,1,0,0,0,0|0,0,1]=3 805 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [1,1,0,0,0,0|0,0,1]=3 806 B11R1.1 c1cc(ccc1C=CC=O)Br TS21058 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.1 c1cc(ccc1C=CC=O)Cl TS12306 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.1 c1cc(ccc1C=CC=O)F TS03090 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.1 c1cc(ccc1N)NNC=O TS10042 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.1 c1cc(ccc1OCCF)I TS73463 [1,1,0,0,0,0|1,0,1]=4 819 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,1,0,0,0,0|1,0,1]=4 822 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [1,1,0,0,0,0|1,0,1]=4 823 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,1,0,0,0,0|1,0,0]=3 824 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [1,1,0,0,0,0|1,0,0]=3 827 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,1,0,0,0,0|1,1,0]=4 828 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [1,1,0,0,0,0|1,0,1]=4 834 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [1,1,0,0,0,0|1,0,1]=4 835 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [1,1,0,0,0,0|1,0,1]=4 836 B11R1.81 CCOc1ccc(cc1N)N TS62845 [1,1,0,0,0,0|1,0,1]=4 837 B11R1.81 Cc1ccc(c(c1)C)N=C=O TS40523 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.81 Cc1ccc(c(c1)C)NC=O TS40748 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [1,1,0,0,0,0|2,0,0]=4 840 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [1,1,0,0,0,0|1,0,0]=3 841 B11R1.83 CCCc1ccc(cc1)CN TS07601 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.83 CCCc1ccc(cc1)OC TS40915 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [1,1,0,0,0,0|0,0,2]=4 844 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [1,1,0,0,0,0|0,0,2]=4 845 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [1,1,0,0,0,0|0,0,2]=4 846 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [1,1,0,0,0,0|0,0,2]=4 847 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [1,1,0,0,0,0|0,0,1]=3 848 B11R1.83 CCOc1ccc(cc1)CO TS10188 [1,1,0,0,0,0|0,0,1]=3 849 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [1,1,0,0,0,0|0,0,1]=3 850 B11R1.83 CCc1ccc(cc1)CNC TS40780 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.83 CCc1ccc(cc1)N=C=O TS40535 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.83 CCc1ccc(cc1)OCC TS40919 [1,1,0,0,0,0|0,0,1]=3 853 B11R1.83 CNCc1ccc(cc1)OC TS03152 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.83 CNCc1ccc(cc1)OC TS03153 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [1,1,0,0,0,0|2,0,0]=4 856 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.83 COc1ccc(cc1)CC=C TS07478 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.83 COc1ccc(cc1)CC=O TS09869 [1,1,0,0,0,0|1,0,0]=3 859 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [1,1,0,0,0,0|1,0,1]=4 860 B11R1.83 COc1ccc(cc1)NC=O TS41013 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.83 CSc1ccc(cc1)N=C=O TS42925 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.83 c1cc(ccc1CCl)N=C=O TS43279 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.192 CCOc1ccc(c(c1)Cl)F TS13603 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.192 CCOc1ccc(c(c1)F)Cl TS13591 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.192 CCOc1ccc(c(c1)F)F TS10941 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.192 CCOc1ccc(c(c1)F)N TS51367 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.192 Cc1ccc(cc1C)N=C=O TS40533 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.192 Cc1ccc(cc1Cl)N=C=O TS12434 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [1,1,0,0,0,0|1,0,1]=4 870 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [1,1,0,0,0,0|1,0,0]=3 873 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [1,1,0,0,0,0|1,0,0]=3 874 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [1,1,0,0,0,0|0,0,1]=3 897 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [1,1,0,0,0,0|1,0,0]=3 898 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [1,1,0,0,0,0|1,0,1]=4 899 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [1,1,0,0,0,0|1,0,1]=4 900 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [1,1,0,0,0,0|0,0,2]=4 901 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [1,1,0,0,0,0|1,0,1]=4 902 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [1,1,0,0,0,0|1,1,0]=4 908 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [1,1,0,0,0,0|1,0,0]=3 909 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [1,1,0,0,0,0|1,0,0]=3 913 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [1,1,0,0,0,0|1,0,0]=3 919 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [1,1,0,0,0,0|1,0,0]=3 920 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [1,1,0,0,0,0|0,0,0]=2 923 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [1,1,0,0,0,0|0,0,0]=2 924 B11R1.40 c1ccnc(c1)NC(=O)CCl TS45233 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [1,1,0,0,0,0|1,0,0]=3 926 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [1,1,0,0,0,0|1,0,0]=3 928 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [1,1,0,0,0,0|1,0,0]=3 930 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [1,1,0,0,0,0|1,0,0]=3 932 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [1,1,0,0,0,0|1,0,0]=3 933 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [1,1,0,0,0,0|1,0,0]=3 934 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [1,1,0,0,0,0|1,0,0]=3 935 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [1,1,0,0,0,0|1,0,0]=3 936 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [1,1,0,0,0,0|0,0,0]=2 937 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [1,1,0,0,0,0|0,0,0]=2 938 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [1,1,0,0,0,0|1,0,1]=4 939 B11R1.86 CC(C)Oc1ccccc1O TS10184 [1,1,0,0,0,0|1,0,1]=4 940 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [1,1,0,0,0,0|1,0,0]=3 941 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [1,1,0,0,0,0|1,0,0]=3 944 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [1,1,0,0,0,0|2,0,0]=4 949 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [1,1,0,0,0,0|1,0,0]=3 958 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [1,1,0,0,0,0|1,0,0]=3 961 B11R1.157 CC(=O)Nc1cc(ccn1)Cl TS45240 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [1,1,0,0,0,0|1,0,0]=3 963 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [1,1,0,0,0,0|1,0,0]=3 964 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [1,1,0,0,0,0|1,0,0]=3 965 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [1,1,0,0,0,0|1,0,0]=3 966 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [1,1,0,0,0,0|1,0,0]=3 967 B11R1.157 CC(=O)Nc1ccnc(c1)Cl TS45239 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [1,1,0,0,0,0|0,0,0]=2 969 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [1,1,0,0,0,0|0,0,0]=2 970 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [1,1,0,0,0,0|1,0,1]=4 971 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [1,1,0,0,0,0|1,0,1]=4 972 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [1,1,0,0,0,0|1,0,1]=4 973 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [1,1,0,0,0,0|1,0,0]=3 974 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [1,1,0,0,0,0|1,0,0]=3 977 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [1,1,0,0,0,0|0,0,0]=2 979 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [1,1,0,0,0,0|1,0,0]=3 980 B11R1.157 Cc1cccc(n1)NC(=O)C TS09892 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.509 CC(C)(C)Oc1ccccc1 TS40911 [1,1,0,0,0,0|1,0,1]=4 993 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.509 CS(=O)(=O)Nc1ccccc1 TS13021 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.509 CS(=O)(=O)Oc1ccccc1 TS45452 [1,1,0,0,0,0|1,0,0]=3 996 B11R1.509 C[Si](C)(C)Oc1ccccc1 TS43142 [1,1,0,0,0,0|1,1,0]=4 997 B11R1.509 c1ccc(cc1)OP(=O)(Cl)Cl TS22725 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.509 c1ccc(cc1)OP(=O)(N)N TS45411 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.509 c1ccc(cc1)OP(=O)(O)O TS13427 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.509 c1ccc(cc1)OP(=O)([O-])[O-] TS49353 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,1,0,0,1,0|1,0,1]=4 1002 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,1,0,0,1,0|1,0,1]=4 1003 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [0,1,0,0,1,0|1,0,1]=4 1004 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,1,0,0,1,0|0,0,1]=3 1005 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,1,0,0,1,0|0,0,1]=3 1006 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,1,0,0,1,0|0,0,1]=3 1007 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,1,0,0,1,0|0,0,1]=3 1008 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,1,0,0,1,0|0,0,0]=2 1009 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,1,0,0,1,0|0,0,0]=2 1010 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [0,1,0,0,1,0|1,0,0]=3 1011 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [0,1,0,0,1,0|1,0,1]=4 1012 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,1,0,0,1,0|1,0,0]=3 1013 B11R1.3 CC(C)c1ccc(cc1)CBr TS44303 [0,1,0,0,1,0|1,0,1]=4 1014 B11R1.3 CC(C)c1ccc(cc1)CCl TS12630 [0,1,0,0,1,0|1,0,1]=4 1015 B11R1.3 CC(C)c1ccc(cc1)CN TS40775 [0,1,0,0,1,0|1,0,1]=4 1016 B11R1.3 CC(C)c1ccc(cc1)CO TS09929 [0,1,0,0,1,0|1,0,1]=4 1017 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [0,1,0,0,1,0|1,0,1]=4 1018 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [0,1,0,0,1,0|0,0,2]=4 1019 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,1,0,0,1,0|0,0,0]=2 1020 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,1,0,0,1,0|1,0,0]=3 1021 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,1,0,0,1,0|1,0,0]=3 1022 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,1,0,0,1,0|1,0,0]=3 1023 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,1,0,0,1,0|1,1,0]=4 1024 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [0,1,0,0,1,0|1,0,1]=4 1025 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [0,1,0,0,1,0|2,0,0]=4 1026 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [0,1,0,0,1,0|1,0,1]=4 1027 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [0,1,0,0,1,0|1,0,1]=4 1028 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [0,1,0,0,1,0|2,0,0]=4 1029 B11R1.3 CN(C)c1ccc(cc1)CN TS03078 [0,1,0,0,1,0|2,0,0]=4 1030 B11R1.3 CN(C)c1ccc(cc1)CN TS70775 [0,1,0,0,1,0|2,0,0]=4 1031 B11R1.3 CN(C)c1ccc(cc1)CO TS41047 [0,1,0,0,1,0|2,0,0]=4 1032 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,1,0,0,1,0|1,0,0]=3 1033 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [0,1,0,0,1,0|2,0,0]=4 1034 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,1,0,0,1,0|2,0,0]=4 1035 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,1,0,0,1,0|1,0,0]=3 1036 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,1,0,0,1,0|1,0,0]=3 1037 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,1,0,0,1,0|1,0,0]=3 1038 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,1,0,0,1,0|1,0,0]=3 1039 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,1,0,0,1,0|1,1,0]=4 1040 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [0,1,0,0,1,0|2,0,0]=4 1041 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,1,0,0,1,0|2,0,0]=4 1042 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [0,1,0,0,1,0|2,0,0]=4 1043 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,1,0,0,1,0|1,0,0]=3 1044 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [0,1,0,0,1,0|2,0,0]=4 1045 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [0,1,0,0,1,0|1,0,1]=4 1046 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [0,1,0,0,1,0|1,0,1]=4 1047 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [0,1,0,0,1,0|1,0,1]=4 1048 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,1,0,0,1,0|1,0,1]=4 1049 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,1,0,0,1,0|2,0,0]=4 1050 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,1,0,0,1,0|2,0,0]=4 1051 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,1,0,0,1,0|2,0,0]=4 1052 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [0,1,0,0,1,0|2,0,0]=4 1053 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,1,0,0,1,0|1,0,1]=4 1054 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,1,0,0,1,0|1,0,0]=3 1055 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] TS44773 [0,1,0,0,1,0|2,0,0]=4 1056 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,1,0,0,1,0|1,0,0]=3 1057 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,1,0,0,1,0|1,0,0]=3 1058 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] TS39596 [0,1,0,0,1,0|2,0,0]=4 1059 B11R1.3 c1cc(ccc1CI)N(=O)=O TS29871 [0,1,0,0,1,0|2,0,0]=4 1060 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,1,0,0,1,0|2,0,0]=4 1061 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,1,0,0,1,0|1,0,0]=3 1062 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,1,0,0,1,0|1,0,0]=3 1063 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] TS33122 [0,1,0,0,1,0|2,0,0]=4 1064 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,1,0,0,1,0|1,0,0]=3 1065 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] TS41244 [0,1,0,0,1,0|2,0,0]=4 1066 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br TS56621 [0,1,0,0,1,0|2,0,0]=4 1067 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl TS33159 [0,1,0,0,1,0|2,0,0]=4 1068 B11R1.19 CS(=O)(=O)c1ccc(cc1)F TS13477 [0,1,0,0,1,0|2,0,0]=4 1069 B11R1.19 CS(=O)(=O)c1ccc(cc1)N TS70784 [0,1,0,0,1,0|2,0,0]=4 1070 B11R1.19 CS(=O)(=O)c1ccc(cc1)O TS71240 [0,1,0,0,1,0|2,0,0]=4 1071 B11R1.19 Cc1ccc(cc1)C(C)(C)C TS07507 [0,1,0,0,1,0|1,0,1]=4 1072 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Br TS94398 [0,1,0,0,1,0|2,0,0]=4 1073 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C TS12830 [0,1,0,0,1,0|1,0,0]=3 1074 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl TS01651 [0,1,0,0,1,0|2,0,0]=4 1075 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F TS13475 [0,1,0,0,1,0|2,0,0]=4 1076 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [0,1,0,0,1,0|2,0,0]=4 1077 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS08074 [0,1,0,0,1,0|2,0,0]=4 1078 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS53319 [0,1,0,0,1,0|2,0,0]=4 1079 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS59085 [0,1,0,0,1,0|2,0,0]=4 1080 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS62755 [0,1,0,0,1,0|2,0,0]=4 1081 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS63266 [0,1,0,0,1,0|2,0,0]=4 1082 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS68270 [0,1,0,0,1,0|2,0,0]=4 1083 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77693 [0,1,0,0,1,0|2,0,0]=4 1084 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77700 [0,1,0,0,1,0|2,0,0]=4 1085 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS77822 [0,1,0,0,1,0|2,0,0]=4 1086 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS85428 [0,1,0,0,1,0|2,0,0]=4 1087 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94396 [0,1,0,0,1,0|2,0,0]=4 1088 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TS94673 [0,1,0,0,1,0|2,0,0]=4 1089 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34142 [0,1,0,0,1,0|2,0,0]=4 1090 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS34439 [0,1,0,0,1,0|2,0,0]=4 1091 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS35992 [0,1,0,0,1,0|2,0,0]=4 1092 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45300 [0,1,0,0,1,0|2,0,0]=4 1093 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS45457 [0,1,0,0,1,0|2,0,0]=4 1094 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS51776 [0,1,0,0,1,0|2,0,0]=4 1095 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS53184 [0,1,0,0,1,0|2,0,0]=4 1096 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS54628 [0,1,0,0,1,0|2,0,0]=4 1097 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS58412 [0,1,0,0,1,0|2,0,0]=4 1098 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59084 [0,1,0,0,1,0|2,0,0]=4 1099 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS59380 [0,1,0,0,1,0|2,0,0]=4 1100 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS62193 [0,1,0,0,1,0|2,0,0]=4 1101 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS64959 [0,1,0,0,1,0|2,0,0]=4 1102 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS69285 [0,1,0,0,1,0|2,0,0]=4 1103 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS73309 [0,1,0,0,1,0|2,0,0]=4 1104 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS74554 [0,1,0,0,1,0|2,0,0]=4 1105 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS76424 [0,1,0,0,1,0|2,0,0]=4 1106 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] TS84456 [0,1,0,0,1,0|2,0,0]=4 1107 B11R1.19 Cc1ccc(cc1)S(=O)(=S)[O-] TS52406 [0,1,0,0,1,0|2,0,0]=4 1108 B11R1.19 Cc1ccc(cc1)[As](=O)(O)O TS21975 [0,1,0,0,1,0|2,0,0]=4 1109 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C TS42819 [0,1,0,0,1,0|1,1,0]=4 1110 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,1,0,0,1,0|1,0,0]=3 1111 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,1,0,0,1,0|1,0,0]=3 1112 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,1,0,0,1,0|1,0,0]=3 1113 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,1,0,0,1,0|1,0,0]=3 1114 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,1,0,0,1,0|1,0,0]=3 1115 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,1,0,0,1,0|1,0,0]=3 1116 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,1,0,0,1,0|1,0,0]=3 1117 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,1,0,0,1,0|1,0,0]=3 1118 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,1,0,0,1,0|1,0,0]=3 1119 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,1,0,0,1,0|1,0,0]=3 1120 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,1,0,0,1,0|1,0,0]=3 1121 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,1,0,0,1,0|1,0,0]=3 1122 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,1,0,0,1,0|2,0,0]=4 1123 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,1,0,0,1,0|2,0,0]=4 1124 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,1,0,0,1,0|2,0,0]=4 1125 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,1,0,0,1,0|1,0,0]=3 1126 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,1,0,0,1,0|2,0,0]=4 1127 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,1,0,0,1,0|1,0,0]=3 1128 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,1,0,0,1,0|2,0,0]=4 1129 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,1,0,0,1,0|2,0,0]=4 1130 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,1,0,0,1,0|2,0,0]=4 1131 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,1,0,0,1,0|2,0,0]=4 1132 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,1,0,0,1,0|2,0,0]=4 1133 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,1,0,0,1,0|1,0,0]=3 1134 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,1,0,0,1,0|2,0,0]=4 1135 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,1,0,0,1,0|0,0,0]=2 1136 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,1,0,0,1,0|1,0,0]=3 1137 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,1,0,0,1,0|1,0,0]=3 1138 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] TS16848 [0,1,0,0,1,0|2,0,0]=4 1139 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,1,0,0,1,0|2,0,0]=4 1140 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,1,0,0,1,0|2,0,0]=4 1141 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,1,0,0,1,0|0,0,0]=2 1142 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,1,0,0,1,0|1,0,0]=3 1143 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,1,0,0,1,0|1,0,0]=3 1144 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,1,0,0,1,0|1,0,0]=3 1145 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,1,0,0,1,0|1,1,0]=4 1146 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] TS71255 [0,1,0,0,1,0|2,0,0]=4 1147 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,1,0,0,1,0|1,0,0]=3 1148 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,1,0,0,1,0|1,0,0]=3 1149 B11R1.21 Cc1ccc(cc1Cl)[C@@H](C)N TS45057 [0,1,0,0,1,0|1,0,1]=4 1150 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] TS13077 [0,1,0,0,1,0|2,0,0]=4 1151 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,1,0,0,1,0|2,0,0]=4 1152 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,1,0,0,1,0|0,0,0]=2 1153 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,1,0,0,1,0|1,0,0]=3 1154 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,1,0,0,1,0|1,0,0]=3 1155 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,1,0,0,1,0|1,1,0]=4 1156 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] TS55349 [0,1,0,0,1,0|2,0,0]=4 1157 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,1,0,0,1,0|1,0,0]=3 1158 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] TS29872 [0,1,0,0,1,0|2,0,0]=4 1159 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,1,0,0,1,0|1,0,0]=3 1160 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,1,0,0,1,0|1,0,0]=3 1161 B11R1.21 Cc1ccc(cc1N)C(C)C TS07607 [0,1,0,0,1,0|1,0,1]=4 1162 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] TS00097 [0,1,0,0,1,0|2,0,0]=4 1163 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,1,0,0,1,0|0,0,0]=2 1164 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,1,0,0,1,0|1,0,0]=3 1165 B11R1.21 Cc1ccc(cc1O)C(C)C TS40901 [0,1,0,0,1,0|1,0,1]=4 1166 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] TS41253 [0,1,0,0,1,0|2,0,0]=4 1167 B11R1.21 Cn1ccc(cc1=O)C(=O)O TS91097 [0,1,0,0,1,0|2,0,0]=4 1168 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [0,1,0,0,1,0|2,0,0]=4 1169 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,1,0,0,1,0|2,0,0]=4 1170 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,1,0,0,1,0|2,0,0]=4 1171 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [0,1,0,0,1,0|2,0,0]=4 1172 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [0,1,0,0,1,0|2,0,0]=4 1173 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,1,0,0,1,0|2,0,0]=4 1174 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,1,0,0,1,0|2,0,0]=4 1175 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,1,0,0,1,0|2,0,0]=4 1176 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [0,1,0,0,1,0|2,0,0]=4 1177 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,1,0,0,1,0|2,0,0]=4 1178 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [0,1,0,0,1,0|2,0,0]=4 1179 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,1,0,0,1,0|2,0,0]=4 1180 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,1,0,0,1,0|2,0,0]=4 1181 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,1,0,0,1,0|2,0,0]=4 1182 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,1,0,0,1,0|2,0,0]=4 1183 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,1,0,0,1,0|2,0,0]=4 1184 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,1,0,0,1,0|2,0,0]=4 1185 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,1,0,0,1,0|2,0,0]=4 1186 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,1,0,0,1,0|2,0,0]=4 1187 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,1,0,0,1,0|2,0,0]=4 1188 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,1,0,0,1,0|2,0,0]=4 1189 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,1,0,0,1,0|2,0,0]=4 1190 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,1,0,0,1,0|2,0,0]=4 1191 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,1,0,0,1,0|2,0,0]=4 1192 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,1,0,0,1,0|2,0,0]=4 1193 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,1,0,0,1,0|2,0,0]=4 1194 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,1,0,0,1,0|2,0,0]=4 1195 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,1,0,0,1,0|2,0,0]=4 1196 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,1,0,0,1,0|2,0,0]=4 1197 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,1,0,0,1,0|2,0,0]=4 1198 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,1,0,0,1,0|2,0,0]=4 1199 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,1,0,0,1,0|2,0,0]=4 1200 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,1,0,0,1,0|2,0,0]=4 1201 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,1,0,0,1,0|2,0,0]=4 1202 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,1,0,0,1,0|2,0,0]=4 1203 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,1,0,0,1,0|2,0,0]=4 1204 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,1,0,0,1,0|2,0,0]=4 1205 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,1,0,0,1,0|2,0,0]=4 1206 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,1,0,0,1,0|2,0,0]=4 1207 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,1,0,0,1,0|2,0,0]=4 1208 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,1,0,0,1,0|2,0,0]=4 1209 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,1,0,0,1,0|2,0,0]=4 1210 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,1,0,0,1,0|2,0,0]=4 1211 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,1,0,0,1,0|2,0,0]=4 1212 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [0,1,0,0,1,0|2,0,0]=4 1213 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [0,1,0,0,1,0|2,0,0]=4 1214 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,1,0|1,0,0]=3 1215 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,1,0|1,0,0]=3 1216 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,1,0|1,0,0]=3 1217 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,1,0|1,0,0]=3 1218 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,1,0|1,0,0]=3 1219 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,1,0|1,0,0]=3 1220 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,1,0|1,0,0]=3 1221 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,1,0|1,0,0]=3 1222 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,1,0|1,0,0]=3 1223 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,1,0|1,0,0]=3 1224 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,1,0|1,0,0]=3 1225 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,1,0|1,0,0]=3 1226 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,1,0|1,0,0]=3 1227 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,1,0|1,0,0]=3 1228 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,1,0|1,0,0]=3 1229 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,1,0,0,1,0|2,0,0]=4 1230 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,1,0,0,1,0|2,0,0]=4 1231 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,1,0,0,1,0|2,0,0]=4 1232 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,1,0,0,1,0|2,0,0]=4 1233 B11R1.166 Cc1cc(c(nc1)C(=O)O)F TS90560 [0,1,0,0,1,0|2,0,0]=4 1234 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,1,0|1,0,0]=3 1235 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,1,0|1,0,0]=3 1236 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,1,0|1,0,0]=3 1237 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,1,0,0,1,0|2,0,0]=4 1238 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,1,0,0,1,0|2,0,0]=4 1239 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,1,0,0,1,0|2,0,0]=4 1240 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,1,0,0,1,0|2,0,0]=4 1241 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,1,0,0,1,0|2,0,0]=4 1242 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,1,0,0,1,0|2,0,0]=4 1243 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,1,0,0,1,0|2,0,0]=4 1244 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,1,0,0,1,0|1,0,0]=3 1245 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,1,0,0,1,0|1,0,0]=3 1246 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,1,0|0,0,0]=2 1247 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,1,0,0,1,0|1,0,0]=3 1248 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,1,0,0,1,0|1,0,0]=3 1249 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,1,0,0,1,0|0,0,2]=4 1250 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,1,0,0,1,0|1,0,1]=4 1251 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] TS41006 [0,1,0,0,1,0|2,0,0]=4 1252 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,1,0,0,1,0|1,0,0]=3 1253 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] TS60350 [0,1,0,0,1,0|2,0,0]=4 1254 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,1,0,0,1,0|1,0,0]=3 1255 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] TS70581 [0,1,0,0,1,0|2,0,0]=4 1256 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] TS39443 [0,1,0,0,1,0|2,0,0]=4 1257 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,1,0,0,1,0|1,0,0]=3 1258 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,1,0,0,1,0|1,0,0]=3 1259 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] TS65471 [0,1,0,0,1,0|2,0,0]=4 1260 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,1,0|0,0,0]=2 1261 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,1,0|1,0,0]=3 1262 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,1,0|1,0,0]=3 1263 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,1,0,0,1,0|1,0,1]=4 1264 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,1,0,0,1,0|1,0,1]=4 1265 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,1,0,0,1,0|2,0,0]=4 1266 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,1,0,0,1,0|2,0,0]=4 1267 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,1,0,0,1,0|2,0,0]=4 1268 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,1,0,0,1,0|2,0,0]=4 1269 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,1,0,0,1,0|2,0,0]=4 1270 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,1,0,0,1,0|2,0,0]=4 1271 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,1,0,0,1,0|2,0,0]=4 1272 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,1,0,0,1,0|2,0,0]=4 1273 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,1,0,0,1,0|2,0,0]=4 1274 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,1,0,0,1,0|2,0,0]=4 1275 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,1,0,0,1,0|2,0,0]=4 1276 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,1,0,0,1,0|2,0,0]=4 1277 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,1,0,0,1,0|2,0,0]=4 1278 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,1,0,0,1,0|2,0,0]=4 1279 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,1,0,0,1,0|2,0,0]=4 1280 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,1,0,0,1,0|2,0,0]=4 1281 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,1,0,0,1,0|2,0,0]=4 1282 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,1,0,0,1,0|2,0,0]=4 1283 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,1,0,0,1,0|2,0,0]=4 1284 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,1,0,0,1,0|2,0,0]=4 1285 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,1,0,0,1,0|2,0,0]=4 1286 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,1,0,0,1,0|2,0,0]=4 1287 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,1,0,0,1,0|2,0,0]=4 1288 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,1,0,0,1,0|2,0,0]=4 1289 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,1,0,0,1,0|2,0,0]=4 1290 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,1,0,0,1,0|2,0,0]=4 1291 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,1,0,0,1,0|2,0,0]=4 1292 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,1,0,0,1,0|2,0,0]=4 1293 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,1,0,0,1,0|2,0,0]=4 1294 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,1,0,0,1,0|2,0,0]=4 1295 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,1,0,0,1,0|2,0,0]=4 1296 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,1,0,0,1,0|2,0,0]=4 1297 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,1,0,0,1,0|2,0,0]=4 1298 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,1,0,0,1,0|2,0,0]=4 1299 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,1,0,0,1,0|2,0,0]=4 1300 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,1,0,0,1,0|2,0,0]=4 1301 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,1,0,0,1,0|2,0,0]=4 1302 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,1,0,0,1,0|2,0,0]=4 1303 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,1,0,0,1,0|2,0,0]=4 1304 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,1,0,0,1,0|2,0,0]=4 1305 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,1,0,0,1,0|2,0,0]=4 1306 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,1,0,0,1,0|2,0,0]=4 1307 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,1,0,0,1,0|2,0,0]=4 1308 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,1,0,0,1,0|2,0,0]=4 1309 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,1,0,0,1,0|2,0,0]=4 1310 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,1,0,0,1,0|2,0,0]=4 1311 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,1,0,0,1,0|2,0,0]=4 1312 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,1,0,0,1,0|2,0,0]=4 1313 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,1,0,0,1,0|2,0,0]=4 1314 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,1,0,0,1,0|2,0,0]=4 1315 B13R1.3 CC(=C[SiH2]c1ccc(cc1)OC)C TS17559 [0,1,0,0,0,1|2,0,0]=4 1316 B13R1.3 CC(=O)CCc1ccc(cc1)OC TS47574 [0,1,0,0,0,1|1,0,0]=3 1317 B13R1.3 CC(=O)COc1ccc(cc1)OC TS14584 [0,1,0,0,0,1|0,0,0]=2 1318 B13R1.3 CC(=O)OCc1ccc(cc1)C=C TS13864 [0,1,0,0,0,1|0,0,1]=3 1319 B13R1.3 CC(=O)OCc1ccc(cc1)OC TS47886 [0,1,0,0,0,1|0,0,0]=2 1320 B13R1.3 CC(COc1ccc(cc1)OC)O TS14974 [0,1,0,0,0,1|0,0,2]=4 1321 B13R1.3 CCc1ccc(cc1)OCC(=O)O TS14580 [0,1,0,0,0,1|1,0,0]=3 1322 B13R1.3 COc1ccc(cc1)C=CC(=O)Cl TS53773 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.3 COc1ccc(cc1)CCC(=O)N TS47737 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.3 COc1ccc(cc1)OCC(=O)N TS48068 [0,1,0,0,0,1|1,0,0]=3 1325 B13R1.3 COc1ccc(cc1)OCC(=O)O TS03155 [0,1,0,0,0,1|1,0,0]=3 1326 B13R1.3 COc1ccc(cc1)OCC(=S)N TS18470 [0,1,0,0,0,1|1,1,0]=4 1327 B13R1.3 c1cc(ccc1C=O)OCC(=O)O TS14543 [0,1,0,0,0,1|1,0,1]=4 1328 B13R1.3 c1cc(ccc1CBr)OCC(=O)O TS27265 [0,1,0,0,0,1|1,0,0]=3 1329 B13R1.3 c1cc(ccc1CO)C=CC(=O)O TS14183 [0,1,0,0,0,1|2,0,0]=4 1330 B13R1.3 c1cc(ccc1CO)OCC(=O)O TS60132 [0,1,0,0,0,1|1,0,0]=3 1331 B13R1.14 COC(=O)C=Cc1ccc(cc1)Br TS26644 [0,1,0,0,0,1|2,0,0]=4 1332 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl TS53771 [0,1,0,0,0,1|2,0,0]=4 1333 B13R1.14 COC(=O)C=Cc1ccc(cc1)F TS14570 [0,1,0,0,0,1|2,0,0]=4 1334 B13R1.14 COC(=O)C=Cc1ccc(cc1)O TS02308 [0,1,0,0,0,1|2,0,0]=4 1335 B13R1.14 COC(=O)CCc1ccc(cc1)Br TS57818 [0,1,0,0,0,1|2,0,0]=4 1336 B13R1.14 COC(=O)CCc1ccc(cc1)O TS08561 [0,1,0,0,0,1|2,0,0]=4 1337 B13R1.14 Cc1ccc(cc1)C=CC(=O)OC TS13847 [0,1,0,0,0,1|1,0,0]=3 1338 B13R1.14 c1cc(ccc1CNC(=O)CCl)Cl TS22321 [0,1,0,0,0,1|2,0,0]=4 1339 B13R1.14 c1cc(ccc1OCC(=O)NN)Cl TS19118 [0,1,0,0,0,1|2,0,0]=4 1340 B13R1.14 c1cc(ccc1OCC(=O)NN)F TS15246 [0,1,0,0,0,1|2,0,0]=4 1341 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br TS01982 [0,1,0,0,0,1|2,0,0]=4 1342 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)C TS16658 [0,1,0,0,0,1|1,0,0]=3 1343 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N TS47739 [0,1,0,0,0,1|2,0,0]=4 1344 B13R1.132 Cc1ccc(cc1)S(=O)CC(=O)O TS54030 [0,1,0,0,0,1|1,1,0]=4 1345 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N TS14416 [0,1,0,0,0,1|2,0,0]=4 1346 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N TS47743 [0,1,0,0,0,1|2,0,0]=4 1347 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl TS19110 [0,1,0,0,0,1|2,0,0]=4 1348 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)O TS48223 [0,1,0,0,0,1|2,0,0]=4 1349 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O TS59386 [0,1,0,0,0,1|2,0,0]=4 1350 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N TS00727 [0,1,0,0,0,1|2,0,0]=4 1351 B13R1.164 Cc1cc(ccc1OCC(=O)O)Cl TS19108 [0,1,0,0,0,1|2,0,0]=4 1352 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl TS26284 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.164 Cc1ccc(c(c1)C)C=CC(=O)O TS46115 [0,1,0,0,0,1|2,0,0]=4 1354 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)O TS47885 [0,1,0,0,0,1|1,0,0]=3 1355 B13R1.164 c1cc(c(cc1Br)Br)OCC(=O)O TS76372 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O TS23223 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O TS30243 [0,1,0,0,0,1|2,0,0]=4 1358 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O TS54491 [0,1,0,0,0,1|2,0,0]=4 1359 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)[O-] TS26956 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.511 Cc1ccc(cc1C)CCC(=O)O TS14244 [0,1,0,0,0,1|2,0,0]=4 1361 B13R1.511 Cc1ccc(cc1C)OCC(=O)O TS14606 [0,1,0,0,0,1|1,0,0]=3 1362 B13R1.4 CC(C)(C)Oc1ccc(cc1)CN TS14458 [0,2,0,0,0,0|1,0,1]=4 1363 B13R1.4 CC(C)(C)Oc1ccc(cc1)CO TS16753 [0,2,0,0,0,0|1,0,1]=4 1364 B13R1.5 CC(Cc1ccc(cc1)OC)C=O TS14230 [0,2,0,0,0,0|1,0,1]=4 1365 B13R1.5 CCC(=O)Nc1ccc(cc1)OC TS47733 [0,2,0,0,0,0|1,0,0]=3 1366 B13R1.5 CCC(=O)Oc1ccc(cc1)C=O TS47509 [0,2,0,0,0,0|0,0,1]=3 1367 B13R1.5 CCC(=O)Oc1ccc(cc1)OC TS47912 [0,2,0,0,0,0|0,0,0]=2 1368 B13R1.5 COC(=O)Cc1ccc(cc1)C#N TS01636 [0,2,0,0,0,0|1,0,1]=4 1369 B13R1.5 COc1ccc(cc1)CC(=O)NN TS46546 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.5 COc1ccc(cc1)CC(=O)OC TS14607 [0,2,0,0,0,0|1,0,0]=3 1371 B13R1.5 COc1ccc(cc1)NC(=O)CBr TS61957 [0,2,0,0,0,0|1,0,0]=3 1372 B13R1.5 COc1ccc(cc1)NC(=O)CCl TS37797 [0,2,0,0,0,0|1,0,0]=3 1373 B13R1.5 COc1ccc(cc1)NC(=O)OC TS48078 [0,2,0,0,0,0|1,0,0]=3 1374 B13R1.35 CC(=O)Cc1ccc(c(c1)O)OC TS47882 [0,2,0,0,0,0|1,0,0]=3 1375 B13R1.35 CC(=O)Nc1ccc(c(c1)N)OC TS47927 [0,2,0,0,0,0|1,0,0]=3 1376 B13R1.35 CCc1ccc(cc1C)NC(=O)C TS46321 [0,2,0,0,0,0|1,0,0]=3 1377 B13R1.35 COc1ccc(cc1Br)CC(=O)O TS09330 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.35 COc1ccc(cc1F)CC(=O)O TS48541 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.35 COc1ccc(cc1O)CC(=O)O TS00156 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.35 Cc1cc(ccc1OC)CC(=O)C TS14235 [0,2,0,0,0,0|1,0,0]=3 1381 B13R1.35 Cc1cc(ccc1OC)CC(=O)O TS07811 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.36 CC(c1ccc(cc1)CBr)C(=O)O TS57809 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.36 COc1ccc(cc1)C(C(=O)O)N TS48072 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.36 COc1ccc(cc1)C(C(=O)O)O TS14920 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N TS48073 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)O TS48231 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N TS13509 [0,2,0,0,0,0|1,0,0]=3 1388 B13R1.142 CCCc1ccc(cc1)CC(=O)O TS47571 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.142 CCCc1ccc(cc1)NC(=O)C TS14071 [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.142 CCOc1ccc(cc1)CC(=O)O TS14599 [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.142 CCOc1ccc(cc1)NC(=O)C TS14397 [0,2,0,0,0,0|1,0,0]=3 1392 B13R1.142 CCOc1ccc(cc1)NC(=O)N TS47930 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.142 c1cc(ccc1CCN)CC(=O)O TS47720 [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.585 B(c1ccc(cc1)NC(=O)C)(O)O TS02779 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)O TS47507 [0,2,0,0,0,0|1,0,1]=4 1396 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] TS47696 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)Cl TS53916 [0,2,0,0,0,0|1,0,1]=4 1398 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)O TS14377 [0,2,0,0,0,0|1,0,1]=4 1399 B13R1.585 CC(=O)Nc1ccc(cc1)S(=O)O TS37735 [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.585 CC(=O)Nc1ccc(cc1)S(=O)[O-] TS02227 [0,2,0,0,0,0|2,0,0]=4 1401 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] TS47865 [0,2,0,0,0,0|2,0,0]=4 1402 B13R1.585 CC(=O)Oc1ccc(cc1)C(=O)O TS47850 [0,2,0,0,0,0|0,0,1]=3 1403 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] TS14749 [0,2,0,0,0,0|1,0,0]=3 1404 B13R1.585 CC(=O)c1ccc(cc1)NC(=O)C TS14017 [0,2,0,0,0,0|1,0,0]=3 1405 B13R1.585 CC(=O)c1ccc(cc1)OC(=O)C TS14186 [0,2,0,0,0,0|0,0,0]=2 1406 B13R1.585 CC(C)c1ccc(cc1)CC(=O)C TS13904 [0,2,0,0,0,0|1,0,0]=3 1407 B13R1.585 CC(C)c1ccc(cc1)CC(=O)O TS09731 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.585 CC(C)c1ccc(cc1)NC(=O)C TS46320 [0,2,0,0,0,0|1,0,0]=3 1409 B13R1.585 CC(C)c1ccc(cc1)OC(=O)C TS14222 [0,2,0,0,0,0|0,0,0]=2 1410 B13R1.585 CN(C)c1ccc(cc1)CC(=O)O TS47731 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.585 c1cc(ccc1[N+](=O)[O-])OC(=O)Cl TS71257 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O TS27266 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.653 COc1ccc(c(c1)F)CC(=O)O TS59969 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl TS26266 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.876 CC(=O)Oc1cc(c(cc1Cl)Cl)Cl TS26402 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.876 Cc1cc(c(cc1C)I)NC(=O)C TS57998 [0,2,0,0,0,0|1,0,0]=3 1419 B13R1.876 Cc1cc(c(cc1Cl)NC(=O)C)O TS18887 [0,2,0,0,0,0|1,0,0]=3 1420 B13R1.876 Cc1cc(c(cc1F)NC(=O)C)Br TS27400 [0,2,0,0,0,0|1,0,0]=3 1421 B13R1.876 Cc1cc(c(cc1N)NC(=O)C)C TS47597 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl TS22324 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl TS49551 [0,2,0,0,0,0|2,0,0]=4 1424 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)Cl TS49548 [0,2,0,0,0,0|2,0,0]=4 1425 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)F TS48852 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.2879 COC(=O)Cc1ccc(c(c1)N)Cl TS37801 [0,2,0,0,0,0|2,0,0]=4 1427 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O TS64872 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.2879 COC(=O)Nc1ccc(c(c1)Cl)Cl TS49703 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.2879 Cc1cc(ccc1O)CC(=O)OC TS47065 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.2879 Cc1ccc(cc1C)OC(=O)NC TS14391 [0,2,0,0,0,0|0,0,0]=2 1431 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)NC TS54139 [0,2,0,0,0,0|1,0,0]=3 1432 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)OC TS37800 [0,2,0,0,0,0|1,0,0]=3 1433 B13R1.2879 c1cc(c(cc1NC(=O)CCl)Cl)Cl TS26270 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.2879 c1cc(c(cc1NC(=O)CCl)Cl)F TS23381 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.3528 Cc1c(c(ccc1NC(=O)C)Br)C TS26792 [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.3528 Cc1c(c(ccc1NC(=O)C)I)C TS58000 [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.21 COC(=O)C(c1ccc(cc1)Cl)[NH3+] TS56752 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.21 COC(=O)C(c1ccc(cc1)O)N TS14764 [0,2,0,0,0,0|2,0,0]=4 1439 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)Cl)N TS18892 [0,2,0,0,0,0|2,0,0]=4 1440 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)F)N TS15118 [0,2,0,0,0,0|2,0,0]=4 1441 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)O)N TS01413 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.21 Cc1ccc(cc1)C(C(=O)OC)Cl TS54130 [0,2,0,0,0,0|1,0,0]=3 1443 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F TS15430 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.522 Cc1ccc(cc1)[C@@](C)(C(=O)O)O TS14585 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.522 Cc1ccc(cc1)[C@](C)(C(=O)O)O TS14614 [0,2,0,0,0,0|2,0,0]=4 1446 B13R1.706 CC(=O)C(C#N)c1ccc(cc1)Cl TS51721 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br TS26795 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.19 CCCC(=O)Nc1ccc(cc1)O TS14423 [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br TS16551 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.19 CCOC(=O)Cc1ccc(cc1)C TS14229 [0,2,0,0,0,0|1,0,0]=3 1451 B13R1.19 CCOC(=O)Cc1ccc(cc1)I TS58066 [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.19 CCOC(=O)Cc1ccc(cc1)N TS14435 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.19 CCOC(=O)Cc1ccc(cc1)O TS14597 [0,2,0,0,0,0|2,0,0]=4 1454 B13R1.19 CCOC(=O)Cc1ccc(nc1)C TS14400 [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.19 CCOC(=O)Nc1ccc(cc1)Cl TS18890 [0,2,0,0,0,0|2,0,0]=4 1456 B13R1.19 Cc1ccc(cc1)NC(=O)CNC TS21794 [0,2,0,0,0,0|1,0,0]=3 1457 B13R1.19 c1cc(ccc1NC(=O)CC#N)Cl TS51924 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.19 c1cc(ccc1NC(=O)CCCl)Br TS68649 [0,2,0,0,0,0|2,0,0]=4 1459 B13R1.19 c1cc(ccc1NC(=O)CCCl)Cl TS22322 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.2679 COC(=O)Cc1ccc(cc1Br)Cl TS08553 [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.2679 COC(=O)Cc1ccc(cc1Cl)Cl TS22541 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.2679 Cc1cc(ccc1NC(=O)CCl)Cl TS22323 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.2679 Cc1ccc(c(c1)Br)NC(=O)CCl TS68648 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)OC TS14245 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.2679 Cc1ccc(c(c1)C)NC(=S)NC TS51898 [0,2,0,0,0,0|1,1,0]=4 1466 B13R1.2679 c1cc(c(cc1Cl)Cl)NC(=O)CCl TS26269 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.2679 c1cc(c(cc1F)F)NC(=O)CCl TS20053 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.51 CC(=O)Nc1ccc(cc1C#N)N TS45956 [0,2,0,0,0,0|2,0,0]=4 1469 B13R1.51 CC(=O)Nc1ccc(cc1OC)Br TS27099 [0,2,0,0,0,0|2,0,0]=4 1470 B13R1.51 CCc1cc(ccc1NC(=O)C)Br TS26797 [0,2,0,0,0,0|2,0,0]=4 1471 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)N)Cl TS49552 [0,2,0,0,0,0|2,0,0]=4 1472 B13R1.2808 CC(=O)Nc1c(cc(cc1Cl)N)F TS38348 [0,2,0,0,0,0|2,0,0]=4 1473 B13R1.2808 CC(=O)Oc1c(cc(cc1Br)Br)Br TS66926 [0,2,0,0,0,0|1,0,0]=3 1474 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C TS07910 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.2808 Cc1cc(c(c(c1)C)CC(=O)O)C TS93797 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.2808 Cc1cc(c(c(c1)Cl)NC(=O)C)C TS18519 [0,2,0,0,0,0|1,0,0]=3 1477 B13R1.2808 Cc1cc(c(c(c1)I)NC(=O)C)C TS57999 [0,2,0,0,0,0|1,0,0]=3 1478 B13R1.2808 Cc1cc(cc(c1NC(=O)C)Cl)Cl TS16361 [0,2,0,0,0,0|2,0,0]=4 1479 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,0,1,1,0,0|1,0,1]=4 1480 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,0,1,1,0,0|1,0,1]=4 1481 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,0,1,1,0,0|2,0,0]=4 1482 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [1,0,0,1,0,0|1,0,1]=4 1483 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [1,0,0,1,0,0|0,0,2]=4 1484 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [1,0,0,1,0,0|2,0,0]=4 1485 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [1,0,0,1,0,0|1,0,1]=4 1486 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [1,0,0,1,0,0|0,1,1]=4 1487 B11R2.36 Cc1ccc2c(c1)nco2 TS36750 [1,0,0,1,0,0|1,0,0]=3 1488 B11R2.36 Cc1ccc2c(c1)ocn2 TS36747 [1,0,0,1,0,0|1,0,1]=4 1489 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [1,0,0,1,0,0|1,1,0]=4 1490 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [1,0,0,1,0,0|2,0,0]=4 1491 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [1,0,0,1,0,0|2,0,0]=4 1492 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [1,0,0,1,0,0|1,0,1]=4 1493 B11R2.36 c1cc2c(cc1Br)nco2 TS71458 [1,0,0,1,0,0|2,0,0]=4 1494 B11R2.36 c1cc2c(cc1Cl)nco2 TS71512 [1,0,0,1,0,0|2,0,0]=4 1495 B11R2.36 c1cc2c(cc1F)nco2 TS37083 [1,0,0,1,0,0|2,0,0]=4 1496 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [1,0,0,1,0,0|1,0,1]=4 1497 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [1,0,0,1,0,0|1,0,1]=4 1498 B11R2.36 c1cc2c(cc1N)nco2 TS36808 [1,0,0,1,0,0|2,0,0]=4 1499 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [1,0,0,1,0,0|1,0,1]=4 1500 B11R2.36 c1cc2c(cco2)cc1Br TS71455 [1,0,0,1,0,0|1,0,1]=4 1501 B11R2.36 c1cc2c(cco2)cc1N TS36754 [1,0,0,1,0,0|1,0,1]=4 1502 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [1,0,0,1,0,0|2,0,0]=4 1503 B11R2.10 CC1Cc2ccccc2O1 TS36849 [1,0,0,1,0,0|1,0,1]=4 1504 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [1,0,0,1,0,0|2,0,0]=4 1505 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [1,0,0,1,0,0|2,0,0]=4 1506 B11R2.10 Cc1cc2ccccc2o1 TS01131 [1,0,0,1,0,0|1,0,0]=3 1507 B11R2.10 Cc1cc2ccccc2s1 TS07494 [1,0,0,1,0,0|1,1,0]=4 1508 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [1,0,0,1,0,0|1,1,0]=4 1509 B11R2.10 Cc1nc2ccccc2o1 TS36749 [1,0,0,1,0,0|1,0,0]=3 1510 B11R2.10 Cc1nc2ccccc2s1 TS01132 [1,0,0,1,0,0|1,1,0]=4 1511 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [1,0,0,1,0,0|2,0,0]=4 1512 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [1,0,0,1,0,0|2,0,0]=4 1513 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [1,0,0,1,0,0|2,0,0]=4 1514 B11R2.10 c1cc[n+]2c(c1)oc(=O)s2 TS16246 [1,0,0,1,0,0|2,0,0]=4 1515 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [1,0,0,1,0,0|2,0,0]=4 1516 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [1,0,0,1,0,0|1,0,0]=3 1517 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [1,0,0,1,0,0|0,0,0]=2 1518 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [1,0,0,1,0,0|1,1,0]=4 1519 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [1,0,0,1,0,0|1,0,0]=3 1520 B11R2.10 c1ccc2c(c1)cc(o2)Br TS08818 [1,0,0,1,0,0|1,0,1]=4 1521 B11R2.10 c1ccc2c(c1)nc(o2)Cl TS10355 [1,0,0,1,0,0|2,0,0]=4 1522 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [1,0,0,1,0,0|2,0,0]=4 1523 B11R2.10 c1ccc2c(c1)nc(o2)S TS81065 [1,0,0,1,0,0|1,1,0]=4 1524 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [1,0,0,1,0,0|1,0,0]=3 1525 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [1,0,0,1,0,0|2,0,0]=4 1526 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [1,0,0,1,0,0|2,0,0]=4 1527 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br TS89189 [0,0,0,1,0,1|2,0,0]=4 1528 B13R2.155 Cc1ccc2c(c1)CC(CO2)N TS37813 [0,0,0,1,0,1|1,0,1]=4 1529 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 TS42572 [0,0,0,1,0,1|1,0,0]=3 1530 B13R2.155 Cc1ccc2ccc(=O)oc2c1 TS42130 [0,0,0,1,0,1|2,0,0]=4 1531 B13R2.155 Cc1ccc2ccc(cc2c1)C TS41664 [0,0,0,1,0,1|2,0,0]=4 1532 B13R2.155 Cc1ccc2ccc(nc2c1)C TS41802 [0,0,0,1,0,1|2,0,0]=4 1533 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 TS16491 [0,0,0,1,0,1|2,0,0]=4 1534 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 TS22914 [0,0,0,1,0,1|2,0,0]=4 1535 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 TS48002 [0,0,0,1,0,1|2,0,0]=4 1536 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 TS48351 [0,0,0,1,0,1|1,0,0]=3 1537 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 TS15186 [0,0,0,1,0,1|2,0,0]=4 1538 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 TS16517 [0,0,0,1,0,1|2,0,0]=4 1539 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 TS55526 [0,0,0,1,0,1|2,0,0]=4 1540 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 TS16524 [0,0,0,1,0,1|2,0,0]=4 1541 B13R2.155 c1cc2c(cc1S)NC(=O)CO2 TS14800 [0,0,0,1,0,1|2,0,0]=4 1542 B13R2.527 Cc1ccc(cc1)OCC2CO2 TS11895 [0,0,0,1,0,1|0,0,2]=4 1543 B13R2.2121 COc1ccc2=NC(=O)N=c2c1 TS42704 [0,1,0,1,0,0|2,0,0]=4 1544 B13R2.2121 COc1ccc2c(c1)CC(=O)C2 TS03349 [0,1,0,1,0,0|1,0,0]=3 1545 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 TS55619 [0,1,0,1,0,0|2,0,0]=4 1546 B13R2.2121 COc1ccc2c(c1)sc(=O)[nH]2 TS01253 [0,1,0,1,0,0|2,0,0]=4 1547 B13R2.2121 Cc1[nH]c2cc(ccc2n1)OC TS11556 [0,1,0,1,0,0|2,0,0]=4 1548 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC TS08757 [0,1,0,1,0,0|2,0,0]=4 1549 B13R2.2121 Cc1nc2cc(ccc2[se]1)OC TS24130 [0,1,0,1,0,0|1,1,0]=4 1550 B13R2.2121 Cc1nc2cc(ccc2o1)OC TS11697 [0,1,0,1,0,0|1,0,0]=3 1551 B13R2.2121 Cc1nc2cc(ccc2s1)OC TS39284 [0,1,0,1,0,0|1,1,0]=4 1552 B13R2.2121 Cc1nc2cc(ccc2s1)SC TS52063 [0,1,0,1,0,0|1,1,0]=4 1553 B13R2.2121 Cc1nc2ccc(cc2s1)OC TS14444 [0,1,0,1,0,0|1,1,0]=4 1554 B13R2.3050 Cc1ccc2c(c1C)nc(s2)C TS14091 [0,1,0,1,0,0|1,1,0]=4 1555 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)F TS32954 [0,1,0,1,0,0|2,0,0]=4 1556 B13R2.13083 Cc1cc2c(cc1C)[se]c(n2)C TS23792 [0,1,0,1,0,0|1,1,0]=4 1557 B13R2.13083 Cc1cc2c(cc1C)nc([nH]2)C TS11289 [0,1,0,1,0,0|2,0,0]=4 1558 B13R2.13083 Cc1cc2c(cc1C)oc(n2)C TS11402 [0,1,0,1,0,0|1,0,0]=3 1559 B13R2.13083 Cc1cc2c(cc1C)sc(n2)C TS14085 [0,1,0,1,0,0|1,1,0]=4 1560 B13R2.13083 Cc1cc2c(cc1Cl)[nH]c(=O)o2 TS48472 [0,1,0,1,0,0|2,0,0]=4 1561 B13R2.13083 Cc1cc2c(cc1N)[nH]c(=O)[nH]2 TS03238 [0,1,0,1,0,0|2,0,0]=4 1562 B13R2.13083 Cc1nc2cc(c(cc2o1)N)Cl TS02167 [0,1,0,1,0,0|2,0,0]=4 1563 B13R2.13083 c1c2c(cc(c1Cl)Br)oc(=O)[nH]2 TS62633 [0,1,0,1,0,0|2,0,0]=4 1564 B13R2.13083 c1c2c(cc(c1Cl)Cl)NC(=O)C2 TS65147 [0,1,0,1,0,0|2,0,0]=4 1565 B13R2.13083 c1c2c(cc(c1Cl)O)oc(=O)[nH]2 TS15501 [0,1,0,1,0,0|2,0,0]=4 1566 B13R2.13083 c1c2c(cc(c1F)Cl)NC(=O)C2 TS08426 [0,1,0,1,0,0|2,0,0]=4 1567 B13R2.13083 c1c2c(cc(c1F)F)NC(=O)C2 TS65148 [0,1,0,1,0,0|2,0,0]=4 1568 B13R2.5190 CN1c2ccc(cc2CC1=O)Br TS71398 [0,1,0,1,0,0|2,0,0]=4 1569 B13R2.5190 CN1c2ccc(cc2CC1=O)N TS86168 [0,1,0,1,0,0|2,0,0]=4 1570 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2=O TS42283 [0,1,0,1,0,0|2,0,0]=4 1571 B13R2.43 Cc1ccc2c(c1)[nH]c(n2)CO TS11569 [0,1,0,1,0,0|2,0,0]=4 1572 B13R2.43 Cc1ccc2c(c1)cc(s2)C=O TS13883 [0,1,0,1,0,0|0,1,1]=4 1573 B13R2.43 Cc1ccc2c(c1)cc(s2)CO TS14255 [0,1,0,1,0,0|1,1,0]=4 1574 B13R2.43 Cc1ccc2c(c1)oc(n2)CCl TS14852 [0,1,0,1,0,0|1,0,1]=4 1575 B13R2.43 c1cc2c(cc1Br)cc(o2)C=O TS52115 [0,1,0,1,0,0|1,0,1]=4 1576 B13R2.43 c1cc2c(cc1Br)cc(o2)CCl TS27355 [0,1,0,1,0,0|2,0,0]=4 1577 B13R2.43 c1cc2c(cc1Br)cc(o2)CO TS24312 [0,1,0,1,0,0|2,0,0]=4 1578 B13R2.43 c1cc2c(cc1Br)nc(o2)C=O TS24093 [0,1,0,1,0,0|2,0,0]=4 1579 B13R2.43 c1cc2c(cc1Cl)nc(o2)C=O TS48141 [0,1,0,1,0,0|2,0,0]=4 1580 B13R2.3028 CN1c2cc(ccc2CC1=O)N TS89755 [0,1,0,1,0,0|2,0,0]=4 1581 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 TS11373 [0,1,0,1,0,0|1,0,1]=4 1582 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)N TS68749 [0,1,0,1,0,0|2,0,0]=4 1583 B13R2.3683 Cc1ccc2c(c1)CCC(=O)C2 TS42191 [0,1,0,1,0,0|1,0,0]=3 1584 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 TS42129 [0,1,0,1,0,0|0,0,1]=3 1585 B13R2.3683 Cc1ccc2c(c1)ccc(n2)C TS41807 [0,1,0,1,0,0|2,0,0]=4 1586 B13R2.3683 c1c(cnc2c1NCC(=O)O2)Cl TS48648 [0,1,0,1,0,0|2,0,0]=4 1587 B13R2.3683 c1cc(=O)oc2c1cc(cc2)N TS53918 [0,1,0,1,0,0|1,0,1]=4 1588 B13R2.3683 c1cc(=O)oc2c1cc(cc2)O TS42406 [0,1,0,1,0,0|1,0,1]=4 1589 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 TS22922 [0,1,0,1,0,0|2,0,0]=4 1590 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 TS22926 [0,1,0,1,0,0|2,0,0]=4 1591 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 TS33002 [0,1,0,1,0,0|2,0,0]=4 1592 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 TS32668 [0,1,0,1,0,0|2,0,0]=4 1593 B13R2.3683 c1cc2c(cc1Cl)SCC(=O)N2 TS18904 [0,1,0,1,0,0|2,0,0]=4 1594 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 TS42715 [0,1,0,1,0,0|2,0,0]=4 1595 B13R2.3683 c1cc2c(cc1I)CCC(=O)C2 TS33321 [0,1,0,1,0,0|2,0,0]=4 1596 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 TS11563 [0,1,0,1,0,0|2,0,0]=4 1597 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 TS01294 [0,1,0,1,0,0|2,0,0]=4 1598 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 TS42705 [0,1,0,1,0,0|2,0,0]=4 1599 B13R2.5397 Cc1cc(c2c(c1)cc(s2)C)C TS46184 [0,1,0,1,0,0|1,1,0]=4 1600 B13R2.5397 c1c(cc(c2c1CC(=O)N2)F)F TS44982 [0,1,0,1,0,0|2,0,0]=4 1601 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,1,0|1,0,1]=4 1602 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,1,0|1,0,1]=4 1603 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,1,0|1,0,0]=3 1604 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,1,0|0,0,0]=2 1605 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,1,0|0,0,0]=2 1606 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,1,0|0,0,0]=2 1607 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,1,0|0,0,0]=2 1608 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,1,0|1,0,0]=3 1609 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,1,0|1,0,0]=3 1610 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,1,0|2,0,0]=4 1611 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,1,0|1,0,0]=3 1612 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,1,0|2,0,0]=4 1613 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,1,0|2,0,0]=4 1614 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,1,0|2,0,0]=4 1615 B9R1.6 CC(=O)c1cncnc1 TS46735 [1,0,0,0,1,0|2,0,0]=4 1616 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,1,0|2,0,0]=4 1617 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,1,0|1,0,1]=4 1618 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,1,0|1,0,1]=4 1619 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,1,0|0,0,2]=4 1620 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,1,0|2,0,0]=4 1621 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,1,0|2,0,0]=4 1622 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,1,0|2,0,0]=4 1623 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,1,0|2,0,0]=4 1624 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,1,0|1,0,1]=4 1625 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,1,0|0,0,2]=4 1626 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,1,0|1,0,1]=4 1627 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,1,0|1,0,1]=4 1628 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,1,0|0,0,2]=4 1629 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,1,0|1,1,0]=4 1630 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,0,0,0,1,0|2,0,0]=4 1631 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,0,0,0,1,0|2,0,0]=4 1632 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,1,0|2,0,0]=4 1633 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,1,0|2,0,0]=4 1634 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,1,0|2,0,0]=4 1635 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,0,0,0,1,0|2,0,0]=4 1636 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,0,0,0,1,0|2,0,0]=4 1637 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,0,0,0,1,0|2,0,0]=4 1638 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,0,0,0,1,0|2,0,0]=4 1639 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,1,0|2,0,0]=4 1640 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,1,0|2,0,0]=4 1641 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,1,0|2,0,0]=4 1642 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,1,0|1,0,0]=3 1643 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,1,0|1,0,0]=3 1644 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,1,0|1,0,0]=3 1645 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,1,0|1,0,0]=3 1646 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,1,0|1,0,0]=3 1647 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,1,0|1,0,0]=3 1648 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,1,0|1,0,0]=3 1649 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,1,0|1,0,0]=3 1650 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,1,0|1,0,0]=3 1651 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,1,0|1,0,0]=3 1652 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,1,0|1,0,0]=3 1653 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,1,0|1,0,0]=3 1654 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,1,0|1,0,0]=3 1655 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,1,0|1,0,0]=3 1656 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,1,0|1,1,0]=4 1657 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,1,0|1,0,1]=4 1658 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,1,0|2,0,0]=4 1659 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,1,0|2,0,0]=4 1660 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,1,0|2,0,0]=4 1661 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,1,0|2,0,0]=4 1662 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,1,0|2,0,0]=4 1663 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,1,0|2,0,0]=4 1664 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,1,0|2,0,0]=4 1665 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,1,0|2,0,0]=4 1666 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,1,0|2,0,0]=4 1667 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,1,0|2,0,0]=4 1668 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,1,0|2,0,0]=4 1669 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,1,0|2,0,0]=4 1670 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,1,0|2,0,0]=4 1671 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,1,0|2,0,0]=4 1672 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,1,0|2,0,0]=4 1673 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,1,0|2,0,0]=4 1674 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,1,0|2,0,0]=4 1675 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,1,0|2,0,0]=4 1676 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,1,0|2,0,0]=4 1677 B9R1.13 CC(=O)Cc1ccco1 TS32606 [1,0,0,0,1,0|2,0,0]=4 1678 B9R1.13 CC(=O)Nc1cccs1 TS08939 [1,0,0,0,1,0|2,0,0]=4 1679 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [1,0,0,0,1,0|2,0,0]=4 1680 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,0,0,0,2,0|2,0,0]=4 1681 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,0,0,0,2,0|2,0,0]=4 1682 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,0,0,0,2,0|2,0,0]=4 1683 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,0,0,0,2,0|2,0,0]=4 1684 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,0,0,0,2,0|2,0,0]=4 1685 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,0,0,0,2,0|2,0,0]=4 1686 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,0,0,0,2,0|2,0,0]=4 1687 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,0,0,0,2,0|2,0,0]=4 1688 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,0,0,0,2,0|1,0,0]=3 1689 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,0,0,0,2,0|2,0,0]=4 1690 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,0,0,0,2,0|2,0,0]=4 1691 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,0,0,0,2,0|2,0,0]=4 1692 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,0,0,0,2,0|2,0,0]=4 1693 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,0,0,0,2,0|2,0,0]=4 1694 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,0,0,0,2,0|1,0,0]=3 1695 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,0,0,0,2,0|2,0,0]=4 1696 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,0,0,0,2,0|2,0,0]=4 1697 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,0,0,0,2,0|2,0,0]=4 1698 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,0,0,0,2,0|1,0,0]=3 1699 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,0,0,0,2,0|2,0,0]=4 1700 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,0,0,0,2,0|2,0,0]=4 1701 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,0,0,0,2,0|1,0,0]=3 1702 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,0,0,0,2,0|2,0,0]=4 1703 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,0,0,0,1|1,0,0]=3 1704 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,0,0,0,0,1|1,1,0]=4 1705 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,0,0,0,0,1|1,0,0]=3 1706 B11R1.91 CC(=NNc1ccccc1)C TS40667 [1,0,0,0,0,1|2,0,0]=4 1707 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [1,0,0,0,0,1|1,0,0]=3 1708 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,0,0,0,1|1,0,0]=3 1709 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,0,0,0,1|1,0,0]=3 1710 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,0,0,0,0,1|1,0,0]=3 1711 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,0,0,0,0,1|0,0,0]=2 1712 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,0,0,0,0,1|0,1,0]=3 1713 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,0,0,0,0,1|1,0,0]=3 1714 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [1,0,0,0,0,1|2,0,0]=4 1715 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [1,0,0,0,0,1|1,0,0]=3 1716 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,0,0,0,0,1|0,0,0]=2 1717 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [1,0,0,0,0,1|1,0,0]=3 1718 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [1,0,0,0,0,1|1,0,0]=3 1719 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [1,0,0,0,0,1|0,0,0]=2 1720 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [1,0,0,0,0,1|1,0,0]=3 1721 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [1,0,0,0,0,1|0,1,0]=3 1722 B11R1.91 CC(COc1ccccc1)Cl TS45253 [1,0,0,0,0,1|1,0,1]=4 1723 B11R1.91 CC(COc1ccccc1)N TS41032 [1,0,0,0,0,1|1,0,1]=4 1724 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [1,0,0,0,0,1|2,0,0]=4 1725 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [1,0,0,0,0,1|2,0,0]=4 1726 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,0,0,0,1|2,0,0]=4 1727 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [1,0,0,0,0,1|2,0,0]=4 1728 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [1,0,0,0,0,1|2,0,0]=4 1729 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [1,0,0,0,0,1|2,0,0]=4 1730 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,0,0,0,0,1|2,0,0]=4 1731 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,0,0,0,0,1|2,0,0]=4 1732 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,0,0,0,0,1|2,0,0]=4 1733 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [1,0,0,0,0,1|2,0,0]=4 1734 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [1,0,0,0,0,1|1,0,0]=3 1735 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [1,0,0,0,0,1|1,0,0]=3 1736 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [1,0,0,0,0,1|2,0,0]=4 1737 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [1,0,0,0,0,1|2,0,0]=4 1738 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [1,0,0,0,0,1|2,0,0]=4 1739 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [1,0,0,0,0,1|2,0,0]=4 1740 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [1,0,0,0,0,1|1,0,0]=3 1741 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [1,0,0,0,0,1|1,0,0]=3 1742 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [1,0,0,0,0,1|1,0,0]=3 1743 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [1,0,0,0,0,1|1,0,0]=3 1744 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [1,0,0,0,0,1|1,0,0]=3 1745 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [1,0,0,0,0,1|1,0,0]=3 1746 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [1,0,0,0,0,1|1,0,0]=3 1747 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [1,0,0,0,0,1|1,1,0]=4 1748 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl TS18518 [0,0,0,0,0,2|2,0,0]=4 1749 B13R1.513 CC(=O)NCCc1ccc(cc1)O TS14428 [0,0,0,0,0,2|2,0,0]=4 1750 B13R1.513 Cc1ccc(cc1)CCCC(=O)O TS14231 [0,0,0,0,0,2|2,0,0]=4 1751 B13R1.513 Cc1ccc(cc1)OCCC(=O)O TS47889 [0,0,0,0,0,2|1,0,0]=3 1752 B13R1.513 Cc1ccc(cc1)SCCC(=O)O TS18302 [0,0,0,0,0,2|1,1,0]=4 1753 B13R1.513 c1cc(ccc1OCCC(=O)O)Cl TS38003 [0,0,0,0,0,2|2,0,0]=4 1754 B13R1.513 c1cc(ccc1OCCC(=O)O)F TS65683 [0,0,0,0,0,2|2,0,0]=4