0 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 B(O)(O)O[Hg]c1ccccc1 TS78404 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 CC(=NNc1ccccc1)C TS40667 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,0,0,0,0|0,0,4]=4 10 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,0|0,0,2]=2 11 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,0,0,0,0,0|0,0,2]=2 22 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.91 CC(C)NCc1ccccc1 TS33065 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,0,0,0,0,0|0,0,0]=0 27 B11R1.91 CC(COc1ccccc1)Cl TS45253 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.91 CC(COc1ccccc1)N TS41032 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.91 CN(C)CCc1ccncc1 TS09942 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,0,0,0,0,0|1,1,0]=2 37 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [0,0,0,0,0,0|1,0,3]=4 39 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,0,0,0,0|1,0,3]=4 40 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,0,0,0,0,0|1,0,2]=3 41 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,0,0,0,0,0|1,0,2]=3 42 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,0,0,0,0|1,0,1]=2 43 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [0,0,0,0,0,0|2,1,1]=4 47 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,0,0,0,0|2,0,2]=4 48 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,0,0,0,0|2,0,2]=4 49 B11R1.91 c1ccc(cc1)COP(Cl)Cl TS43583 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,0,0,0,0,0|2,0,1]=3 52 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,0,0,0,0,0|2,0,2]=4 53 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,0,0,0,0,0|2,0,2]=4 56 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,0,0,0,0,0|2,0,1]=3 57 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,0,0,0,0,0|2,1,1]=4 62 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [0,0,0,0,0,0|2,1,1]=4 64 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,0,0,0,0,0|2,0,1]=3 65 B11R1.91 c1cnccc1SCC(=O)O TS46555 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.17 C#CCCc1ccccc1 TS36511 [1,0,0,0,0,0|0,0,2]=3 67 B10R1.17 C#CCOc1ccccc1 TS36668 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.17 C#CCSc1ccccc1 TS07496 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.17 C=CCCc1ccccc1 TS36707 [1,0,0,0,0,0|0,0,2]=3 70 B10R1.17 C=CCCc1ccncc1 TS36777 [1,0,0,0,0,0|1,0,2]=4 71 B10R1.17 C=CCNc1ccccc1 TS05848 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.17 C=CCOc1ccccc1 TS36847 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.17 C=CCSc1ccccc1 TS40921 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.17 CC=CCc1ccccc1 TS36709 [1,0,0,0,0,0|0,0,2]=3 75 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,0,0,0,0,0|0,0,2]=3 76 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,0,0,0,0,0|0,0,2]=3 77 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.17 CCCCc1ccccc1 TS36870 [1,0,0,0,0,0|0,0,0]=1 80 B10R1.17 CCCCc1ccccn1 TS06002 [1,0,0,0,0,0|1,0,0]=2 81 B10R1.17 CCCCc1cccnc1 TS06012 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.17 CCCCc1ccncc1 TS06014 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.17 CCCNc1ccccc1 TS36942 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.17 CCCOc1ccccc1 TS37010 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.17 CCCSc1ccccc1 TS41194 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,0,0,0,0,0|1,0,1]=3 87 B10R1.17 CCNCc1ccccc1 TS06015 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.17 CCNCc1ccncc1 TS37037 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.17 CCOCc1ccccc1 TS37009 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.17 CCSCc1ccccc1 TS41200 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.17 CNCCc1ccccc1 TS01606 [1,0,0,0,0,0|1,0,0]=2 92 B10R1.17 CNCCc1ccccn1 TS37041 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.17 CNCCc1ccccn1 TS63536 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.17 CNCCc1ccccn1 TS65180 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.17 CNCCc1cccnc1 TS08004 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.17 CNCCc1ccncc1 TS37035 [1,0,0,0,0,0|2,0,0]=3 97 B10R1.17 COC=Cc1ccccc1 TS36842 [1,0,0,0,0,0|1,0,2]=4 98 B10R1.17 COC=Nc1ccccc1 TS36922 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.17 COCCc1ccccc1 TS06081 [1,0,0,0,0,0|1,0,0]=2 100 B10R1.17 COCCc1ccccn1 TS06192 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.17 COCOc1ccccc1 TS06260 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.17 COCOc1cccnc1 TS06375 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.17 COCSc1ccccc1 TS10468 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.17 CSCOc1ccccc1 TS10467 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.17 CSSCc1ccccc1 TS12900 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,0,0,0,0,0|1,0,1]=3 107 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,0,0,0,0,0|1,0,0]=2 109 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [1,0,0,0,0,0|1,0,2]=4 110 B10R1.17 c1ccc(cc1)C#CCN TS05672 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.17 c1ccc(cc1)C#CCO TS36664 [1,0,0,0,0,0|0,0,2]=3 112 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,0,0,0,0,0|1,0,2]=4 113 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,0,0,0,0,0|0,0,2]=3 115 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,0,0,0,0,0|1,0,1]=3 116 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,0,0,0,0,0|0,0,2]=3 117 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,0,0,0,0,0|1,0,0]=2 118 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,0,0,0,0,0|1,0,0]=2 119 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,0,0,0,0,0|0,0,0]=1 120 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,0,0,0,0,0|0,1,0]=2 121 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,0,0,0,0,0|1,1,1]=4 124 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,0,0,0,0,0|1,0,2]=4 127 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,0,0,0,0,0|1,0,2]=4 135 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,0,0,0,0,0|1,0,0]=2 139 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,0,0,0,0,0|1,0,0]=2 145 B10R1.17 c1ccnc(c1)NCCO TS45873 [1,0,0,0,0,0|2,0,0]=3 146 B10R1.17 c1ccnc(c1)SCCO TS10597 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.17 c1cnccc1CCCN TS37023 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.17 c1cnccc1CCCO TS37120 [1,0,0,0,0,0|1,0,0]=2 149 B10R1.17 c1cnccc1NCCN TS45706 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [0,1,0,0,0,0|0,0,2]=3 152 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [0,1,0,0,0,0|1,0,2]=4 153 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [0,1,0,0,0,0|1,0,2]=4 154 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [0,1,0,0,0,0|1,0,2]=4 156 B12R1.21 CC(C)CCc1ccc(cc1)O TS42796 [0,1,0,0,0,0|1,0,0]=2 157 B12R1.21 CC(C)NCc1ccc(cc1)F TS12408 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.21 CN(C)CCc1ccc(cc1)N TS11929 [0,1,0,0,0,0|2,0,0]=3 159 B12R1.21 CN(C)CCc1ccc(cc1)O TS12065 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.21 CN(C)CCc1ccc(cc1)O TS38185 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.21 CN(C)CCc1ccc(cc1)O TS70070 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.21 C[C@@H](CCc1ccc(cc1)O)N TS42954 [0,1,0,0,0,0|1,0,0]=2 163 B12R1.21 C[C@H](CCc1ccc(cc1)O)O TS93838 [0,1,0,0,0,0|0,0,0]=1 164 B12R1.21 Cc1ccc(cc1)CCC(=O)O TS42740 [0,1,0,0,0,0|1,0,1]=3 165 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.21 Cc1ccc(cc1)OCC(=O)O TS12179 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.21 Cc1ccc(cc1)OCC(C)O TS12268 [0,1,0,0,0,0|1,0,0]=2 168 B12R1.21 c1cc(ccc1CCC(=O)N)O TS12027 [0,1,0,0,0,0|1,0,2]=4 169 B12R1.21 c1cc(ccc1CCC(=O)O)Br TS09422 [0,1,0,0,0,0|1,0,1]=3 170 B12R1.21 c1cc(ccc1CCC(=O)O)F TS44855 [0,1,0,0,0,0|1,0,1]=3 171 B12R1.21 c1cc(ccc1CCC(=O)O)I TS65689 [0,1,0,0,0,0|1,0,1]=3 172 B12R1.21 c1cc(ccc1CCC(=O)O)N TS09418 [0,1,0,0,0,0|1,0,1]=3 173 B12R1.21 c1cc(ccc1CCC(=O)O)O TS43042 [0,1,0,0,0,0|1,0,1]=3 174 B12R1.21 c1cc(ccc1CCC(=O)O)S TS15000 [0,1,0,0,0,0|1,0,1]=3 175 B12R1.21 c1cc(ccc1F)SCC(=O)O TS15593 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.21 c1cc(ccc1N)NCC(=O)O TS43068 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.21 c1cc(ccc1N)SCC(=O)O TS15156 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.21 c1cc(ccc1NCC(=O)O)O TS00318 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.21 c1cc(ccc1NCC(=O)O)O TS43213 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.21 c1cc(ccc1O)OCC(=O)O TS44827 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.21 c1cc(ccc1OCC(=O)O)Br TS53125 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.21 c1cc(ccc1OCC(=O)O)Cl TS15705 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.21 c1cc(ccc1OCC(=O)O)F TS45082 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.21 c1cc(ccc1OCC(=O)O)I TS33985 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.21 c1cc(ccc1SCC(=O)O)Cl TS19487 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.27 CC(=NO)C=Cc1ccccc1 TS42315 [0,1,0,0,0,0|0,0,3]=4 187 B12R1.27 CC(CCc1ccccc1)[N+]#[C-] TS42077 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.27 CC(CO)NCc1ccccc1 TS12060 [0,1,0,0,0,0|1,0,0]=2 189 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,1,0,0,0,0|0,0,2]=3 190 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,1,0,0,0,0|1,0,2]=4 191 B12R1.27 CCC(C#Cc1ccccc1)O TS42190 [0,1,0,0,0,0|0,0,2]=3 192 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [0,1,0,0,0,0|1,1,1]=4 193 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,1,0,0,0,0|0,0,2]=3 194 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,1,0,0,0,0|1,0,2]=4 195 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,1,0,0,0,0|1,0,2]=4 196 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,1,0,0,0,0|1,0,2]=4 197 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [0,1,0,0,0,0|1,1,1]=4 198 B12R1.27 C[C@@H](CO)NCc1ccccc1 TS42935 [0,1,0,0,0,0|1,0,0]=2 199 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,1,0,0,0,0|1,0,2]=4 200 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,1,0,0,0,0|1,0,1]=3 201 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,1,0,0,0,0|1,0,2]=4 202 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,1,0,0,0,0|1,0,2]=4 203 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,1,0,0,0,0|1,0,2]=4 204 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,1,0,0,0,0|1,0,2]=4 205 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,1,0,0,0,0|1,0,2]=4 206 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,1,0,0,0,0|1,0,2]=4 207 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,1,0,0,0,0|1,0,2]=4 208 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,1,0,0,0,0|1,0,2]=4 209 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,1,0,0,0,0|1,0,2]=4 210 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.27 c1ccc(cc1)OCC(=NO)N TS43060 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.27 c1ccc(cc1)OCC(CN)O TS43251 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.27 c1ccc(cc1)OCC(CO)O TS44861 [0,1,0,0,0,0|1,0,0]=2 215 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [0,1,0,0,0,0|1,0,2]=4 216 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [0,1,0,0,0,0|1,0,2]=4 217 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,1,0,0,0,0|1,0,2]=4 218 B12R1.43 CC(C(=O)Nc1ccccc1)Br TS24452 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,1,0,0,0,0|1,0,1]=3 221 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.43 c1cc(cnc1)CC(C(=O)O)N TS12237 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS12231 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N TS38351 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,1,0,0,0,0|1,0,2]=4 228 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,1,0,0,0,0|1,0,1]=3 230 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,1,0,0,0,0|1,0,1]=3 232 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,1,0,0,0,0|1,0,1]=3 233 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,1,0,0,0,0|1,0,2]=4 234 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,1,0,0,0,0|1,0,1]=3 236 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,1,0,0,0,0|1,0,1]=3 237 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,1,0,0,0,0|1,0,2]=4 238 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,1,0,0,0,0|1,0,2]=4 239 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,1,0,0,0,0|1,0,1]=3 240 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,1,0,0,0,0|1,0,1]=3 241 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,1,0,0,0,0|1,0,1]=3 242 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,1,0,0,0,0|1,0,1]=3 243 B12R1.43 c1ccnc(c1)CC(C(=O)O)N TS12233 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N TS22823 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N TS43071 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.43 c1cnccc1CC(C(=O)O)N TS12224 [0,1,0,0,0,0|2,0,1]=4 247 B12R1.43 c1cnccc1C[C@H](C(=O)O)N TS12232 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,1,0,0,0,0|0,0,3]=4 249 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.107 CC(CC(=O)O)c1ccccc1 TS42755 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [0,1,0,0,0,0|1,0,2]=4 254 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [0,1,0,0,0,0|1,0,2]=4 255 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 TS42738 [0,1,0,0,0,0|1,0,1]=3 257 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [0,1,0,0,0,0|1,0,2]=4 258 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 TS42736 [0,1,0,0,0,0|1,0,1]=3 260 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [0,1,0,0,0,0|1,0,2]=4 261 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.107 c1cc(cnc1)C(CC(=O)O)N TS43076 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N TS12211 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N TS12220 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.107 c1ccc(cc1)C(CC(=O)O)Br TS52783 [0,1,0,0,0,0|1,0,1]=3 268 B12R1.107 c1ccc(cc1)C(CC(=O)O)N TS65071 [0,1,0,0,0,0|1,0,1]=3 269 B12R1.107 c1ccc(cc1)C(CC(=O)O)O TS12188 [0,1,0,0,0,0|1,0,1]=3 270 B12R1.107 c1ccc(cc1)C(C[N+](=O)[O-])O TS43216 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O TS43028 [0,1,0,0,0,0|1,0,1]=3 272 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N TS46535 [0,1,0,0,0,0|1,0,1]=3 273 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O TS43030 [0,1,0,0,0,0|1,0,1]=3 274 B12R1.107 c1ccnc(c1)C(CC(=O)O)N TS43062 [0,1,0,0,0,0|2,0,1]=4 275 B12R1.107 c1cnccc1C(CC(=O)O)N TS43077 [0,1,0,0,0,0|2,0,1]=4 276 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [0,1,0,0,0,0|1,0,2]=4 277 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [0,1,0,0,0,0|1,0,1]=3 278 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [0,1,0,0,0,0|1,0,2]=4 279 B12R1.125 Cc1ccccc1OCC(C)O TS12256 [0,1,0,0,0,0|1,0,0]=2 280 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [0,1,0,0,0,0|1,0,2]=4 281 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [0,1,0,0,0,0|1,0,1]=3 282 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [0,1,0,0,0,0|1,0,1]=3 283 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [0,1,0,0,0,0|1,0,1]=3 284 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [0,1,0,0,0,0|1,0,1]=3 285 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [0,1,0,0,0,0|1,0,1]=3 286 B12R1.125 c1ccc(c(c1)F)SCC(=O)O TS15592 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.125 c1ccc(c(c1)NCC(=O)O)Cl TS93284 [0,1,0,0,0,0|2,0,1]=4 288 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12658 [0,1,0,0,0,0|2,0,1]=4 289 B12R1.125 c1ccc(c(c1)NCC(=O)O)F TS12660 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.125 c1ccc(c(c1)O)OCC(=O)O TS44831 [0,1,0,0,0,0|2,0,1]=4 291 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl TS15709 [0,1,0,0,0,0|2,0,1]=4 292 B12R1.226 Cc1cccc(c1)CCC(=O)O TS11878 [0,1,0,0,0,0|1,0,1]=3 293 B12R1.226 Cc1cccc(c1)OCC(C)O TS43103 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O TS09412 [0,1,0,0,0,0|1,0,1]=3 295 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O TS00145 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.226 c1cc(cc(c1)F)CCC(=O)O TS44844 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.226 c1cc(cc(c1)F)OCC(=O)O TS07856 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.226 c1cc(cc(c1)I)CCC(=O)O TS31076 [0,1,0,0,0,0|1,0,1]=3 299 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS09411 [0,1,0,0,0,0|1,0,1]=3 300 B12R1.226 c1cc(cc(c1)N)CCC(=O)O TS19280 [0,1,0,0,0,0|1,0,1]=3 301 B12R1.226 c1cc(cc(c1)O)CCC(=O)O TS43037 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.226 c1cc(cc(c1)OCC(=O)O)N TS02664 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.891 CC(C)(C#Cc1ccccc1)O TS42198 [0,1,0,0,0,0|0,0,2]=3 304 B12R1.891 CC(C)(C#Cc1ccccn1)O TS42313 [0,1,0,0,0,0|1,0,2]=4 305 B12R1.891 CC(C)(C)N=Cc1ccccc1 TS42348 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.891 CC(C)(C)NCc1ccccc1 TS42633 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.891 CC(C)(C)NSc1ccccc1 TS48131 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.891 CC(C)(CCc1ccccc1)O TS42782 [0,1,0,0,0,0|0,0,0]=1 309 B12R1.891 C[Si](C)(C)C[Se]c1ccccc1 TS57864 [0,1,0,0,0,0|2,1,0]=4 310 B12R1.891 C[Si](C)(C)OCc1ccccc1 TS47979 [0,1,0,0,0,0|2,1,0]=4 311 B12R1.891 C[Si](C)(CCc1ccccc1)Cl TS18747 [0,1,0,0,0,0|1,1,0]=3 312 B12R1.891 c1ccc(cc1)CCC(F)(F)F TS13458 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl TS38724 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.891 c1ccc(cc1)CC[Si](Cl)(Cl)Cl TS26414 [0,1,0,0,0,0|2,1,0]=4 315 B12R1.891 c1ccc(cc1)CSC(F)(F)F TS51440 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.891 c1ccnc(c1)CCS(=O)(=O)O TS15805 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.891 c1cnccc1CCS(=O)(=O)O TS50548 [0,1,0,0,0,0|3,0,0]=4 318 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [0,0,0,1,0,0|0,0,2]=3 319 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [0,0,0,1,0,0|1,0,2]=4 320 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,0,0,1,0,0|1,0,0]=2 321 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [0,0,0,1,0,0|1,0,0]=2 322 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [0,0,0,1,0,0|1,0,0]=2 323 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [0,0,0,1,0,0|1,0,0]=2 324 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,1,0,0|1,0,0]=2 325 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,1,0,0|2,0,0]=3 326 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,1,0,0|2,0,0]=3 327 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,1,0,0|1,0,2]=4 328 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,1,0,0|1,0,2]=4 329 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,0|1,0,2]=4 330 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,0|1,0,2]=4 331 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,0,0,1,0,0|2,0,0]=3 332 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,0,0,1,0,0|2,0,0]=3 333 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,0,0,1,0,0|2,0,0]=3 334 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,0,0,1,0,0|2,0,0]=3 335 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,0|0,0,2]=3 336 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,1,0,0|1,0,2]=4 337 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,1,0,0|1,0,1]=3 338 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,1,0,0|1,0,0]=2 339 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,1,0,0|1,0,0]=2 340 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,0|0,0,0]=1 341 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,1,0,0|1,0,0]=2 342 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl TS07992 [0,0,0,1,0,0|2,0,0]=3 343 B12R2.92 c1ccc(cc1)C2CC2(F)F TS10399 [0,0,0,1,0,0|2,0,0]=3 344 B12R2.2057 c1ccc(cc1)CNC2CC2 TS07374 [0,0,0,1,0,0|2,0,0]=3 345 B12R2.2057 c1ccc(cc1)NCC2CC2 TS48499 [0,0,0,1,0,0|2,0,0]=3 346 B12R2.2057 c1ccc(cc1)OCC2CO2 TS01628 [0,0,0,1,0,0|1,0,0]=2 347 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 TS40866 [0,0,0,1,0,0|1,0,0]=2 348 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 TS40857 [0,0,0,1,0,0|1,0,0]=2 349 B12R2.2057 c1cnccc1NCC2CC2 TS23240 [0,0,0,1,0,0|3,0,0]=4 350 B12R2.2403 CC1(CNc2c1cccc2)C TS86357 [0,0,0,1,0,0|2,0,0]=3 351 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,0,0,1,0,0|2,0,0]=3 352 B12R2.3190 c1ccc2c(c1)CC2C(=O)O TS39585 [0,0,0,1,0,0|1,0,1]=3 353 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,0,0,0,1,0|2,0,0]=3 354 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,0,0,1,0|1,0,1]=3 355 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,0,0,1,0|1,0,2]=4 356 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,0,0,1,0|1,0,2]=4 357 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,0,0,1,0|1,0,2]=4 358 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,0,0,1,0|0,0,2]=3 359 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,0,0,1,0|1,0,2]=4 360 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,0,0,1,0|1,0,2]=4 361 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,0,0,1,0|1,0,2]=4 362 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,0,0,1,0|1,0,2]=4 363 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,0,0,1,0|1,0,2]=4 364 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,0,0,1,0|1,0,2]=4 365 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,0,0,1,0|1,1,1]=4 366 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,0,0,0,1,0|1,0,0]=2 367 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,0,0,0,1,0|2,0,0]=3 368 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,0,0,0,1,0|2,0,0]=3 369 B10R1.18 CC(C)Cc1ccncc1 TS06006 [0,0,0,0,1,0|2,0,0]=3 370 B10R1.18 CC(C)Cc1cnccn1 TS06100 [0,0,0,0,1,0|3,0,0]=4 371 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,0,0,0,1,0|2,0,0]=3 372 B10R1.18 CC(C)Nc1cccnc1 TS64905 [0,0,0,0,1,0|3,0,0]=4 373 B10R1.18 CC(C)Nc1ccncc1 TS64906 [0,0,0,0,1,0|3,0,0]=4 374 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,0,0,1,0|2,0,0]=3 375 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,0,0,0,1,0|1,0,0]=2 376 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,0,0,0,1,0|1,0,0]=2 377 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,0,0,0,1,0|0,0,0]=1 378 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,0,0,0,1,0|2,0,0]=3 379 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,0,0,0,1,0|2,0,0]=3 380 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,0,0,0,1,0|2,0,0]=3 381 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,0,0,0,1,0|2,0,0]=3 382 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,0,0,1,0|1,0,1]=3 383 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,0,0,0,1,0|1,0,0]=2 384 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,0,0,0,1,0|1,0,0]=2 385 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,0,0,0,1,0|1,1,0]=3 386 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,0,0,1,0|2,0,1]=4 387 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,0,0,1,0|2,0,1]=4 388 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,0,0,0,1,0|2,0,1]=4 389 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,0,0,1,0|1,0,2]=4 390 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,0,0,1,0|1,0,2]=4 391 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,0,0,1,0|1,0,1]=3 392 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,0,0,1,0|1,0,1]=3 393 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,0,0,1,0|1,0,2]=4 394 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,0,0,1,0|1,0,2]=4 395 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,0,0,0,1,0|1,1,1]=4 396 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,0,0,0,1,0|3,0,0]=4 397 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [0,0,0,0,1,0|2,1,0]=4 398 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,0,0,1,0|2,0,1]=4 399 B10R1.18 c1cnccc1CC(=S)O TS20061 [0,0,0,0,1,0|2,0,1]=4 400 B10R1.66 CC(C)SCc1ccco1 TS41673 [0,0,0,0,1,0|3,0,0]=4 401 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [0,0,0,0,1,0|2,0,1]=4 402 B10R1.66 c1cc([nH]c1)CCC(=O)O TS02495 [0,0,0,0,1,0|2,0,1]=4 403 B10R1.66 c1cc(oc1)CCC(=O)O TS37339 [0,0,0,0,1,0|2,0,1]=4 404 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [0,0,0,0,1,0|2,0,1]=4 405 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [0,0,0,0,0,1|0,0,2]=3 406 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [0,0,0,0,0,1|0,0,2]=3 407 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [0,0,0,0,0,1|0,0,2]=3 408 B12R1.252 CC(CCCc1ccccc1)F TS12271 [0,0,0,0,0,1|1,0,0]=2 409 B12R1.252 CN(C)CCCc1ccncc1 TS11940 [0,0,0,0,0,1|3,0,0]=4 410 B12R1.252 C[C@@H](COCc1ccccc1)O TS43107 [0,0,0,0,0,1|0,0,0]=1 411 B12R1.252 C[C@H](CCCc1cccnc1)N TS11933 [0,0,0,0,0,1|2,0,0]=3 412 B12R1.252 C[C@H](COCc1ccccc1)O TS43112 [0,0,0,0,0,1|0,0,0]=1 413 B12R1.252 c1ccc(cc1)C=CCC(=O)O TS11546 [0,0,0,0,0,1|1,0,2]=4 414 B12R1.252 c1ccc(cc1)CCCC(=O)Cl TS48364 [0,0,0,0,0,1|1,0,2]=4 415 B12R1.252 c1ccc(cc1)CCC[SiH](Cl)Cl TS49568 [0,0,0,0,0,1|2,1,0]=4 416 B12R1.252 c1ccc(cc1)COCC(=O)Cl TS55761 [0,0,0,0,0,1|1,0,2]=4 417 B12R1.252 c1ccc(cc1)COCC(=O)O TS09024 [0,0,0,0,0,1|1,0,1]=3 418 B12R1.252 c1ccc(cc1)CSCC(=O)N TS14831 [0,0,0,0,0,1|1,0,2]=4 419 B12R1.252 c1ccc(cc1)CSCC(=O)O TS15003 [0,0,0,0,0,1|1,0,1]=3 420 B12R1.252 c1ccc(cc1)NCCC(=O)N TS11897 [0,0,0,0,0,1|1,0,2]=4 421 B12R1.252 c1ccc(cc1)NCCC(=O)O TS42898 [0,0,0,0,0,1|1,0,1]=3 422 B12R1.252 c1ccc(cc1)OCCC(=O)O TS43043 [0,0,0,0,0,1|1,0,1]=3 423 B12R1.252 c1ccc(cc1)SCCC(=O)O TS15008 [0,0,0,0,0,1|1,0,1]=3 424 B12R1.252 c1ccnc(c1)NCCC(=O)O TS12214 [0,0,0,0,0,1|2,0,1]=4 425 B12R1.252 c1cnccc1CCCC(=O)O TS38168 [0,0,0,0,0,1|2,0,1]=4 426 B9R0.45 CC=CC=CCCCCO TS06516 [1,0,1,0,0,0|0,0,2]=4 427 B9R0.45 CCCCC=CC=CC=O TS37223 [1,0,1,0,0,0|1,0,0]=3 428 B9R0.45 CCCCC=CC=CCO TS06495 [1,0,1,0,0,0|1,0,1]=4 429 B9R1.8 C#CCc1ccccc1 TS32230 [2,0,0,0,0,0|0,0,2]=4 430 B9R1.8 C=CCc1ccccc1 TS32347 [2,0,0,0,0,0|0,0,2]=4 431 B9R1.8 CC#Cc1ccccc1 TS04599 [2,0,0,0,0,0|0,0,2]=4 432 B9R1.8 CC=Cc1ccccc1 TS32346 [2,0,0,0,0,0|0,0,2]=4 433 B9R1.8 CCC[n+]1ccccc1 TS38202 [2,0,0,0,0,0|1,0,0]=3 434 B9R1.8 CCCc1ccccc1 TS04832 [2,0,0,0,0,0|0,0,0]=2 435 B9R1.8 CCCc1ccccn1 TS85359 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.8 CCCc1cnccn1 TS59984 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.8 CCNc1ccccc1 TS04869 [2,0,0,0,0,0|1,0,0]=3 438 B9R1.8 CCOc1ccccc1 TS04896 [2,0,0,0,0,0|1,0,0]=3 439 B9R1.8 CCOc1ccccn1 TS55309 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.8 CCOc1ccncc1 TS04974 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.8 CCSc1ccccc1 TS06299 [2,0,0,0,0,0|1,0,0]=3 442 B9R1.8 CNCc1ccccc1 TS01938 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.8 CNCc1ccccn1 TS51966 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.8 CNCc1cccnc1 TS02609 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.8 CNCc1ccncc1 TS65238 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.8 CNNc1ccccc1 TS85406 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.8 COCc1ccccc1 TS04897 [2,0,0,0,0,0|1,0,0]=3 448 B9R1.8 COCc1ccccn1 TS00518 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.8 CSCc1ccccc1 TS06309 [2,0,0,0,0,0|1,0,0]=3 450 B9R1.8 CSSc1ccccc1 TS41708 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.8 c1cc(cnc1)CCN TS41995 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.8 c1cc(cnc1)CCN TS65667 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.8 c1cc(cnc1)CCO TS39614 [2,0,0,0,0,0|1,0,0]=3 455 B9R1.8 c1ccc(cc1)CC#N TS04678 [2,0,0,0,0,0|1,0,1]=4 456 B9R1.8 c1ccc(cc1)CCBr TS15419 [2,0,0,0,0,0|1,0,0]=3 457 B9R1.8 c1ccc(cc1)CCCl TS37454 [2,0,0,0,0,0|1,0,0]=3 458 B9R1.8 c1ccc(cc1)CCI TS25156 [2,0,0,0,0,0|1,0,0]=3 459 B9R1.8 c1ccc(cc1)CCN TS22602 [2,0,0,0,0,0|1,0,0]=3 460 B9R1.8 c1ccc(cc1)CCN TS65627 [2,0,0,0,0,0|1,0,0]=3 461 B9R1.8 c1ccc(cc1)CCO TS04901 [2,0,0,0,0,0|0,0,0]=2 462 B9R1.8 c1ccc(cc1)CCS TS06307 [2,0,0,0,0,0|0,1,0]=3 463 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [2,0,0,0,0,0|1,0,0]=3 464 B9R1.8 c1ccc(cc1)CNN TS09177 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.8 c1ccc(cc1)CNN TS21284 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.8 c1ccc(cc1)CNO TS01934 [2,0,0,0,0,0|1,0,0]=3 467 B9R1.8 c1ccc(cc1)CNO TS93618 [2,0,0,0,0,0|1,0,0]=3 468 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.8 c1ccc(cc1)SCCl TS42004 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [2,0,0,0,0,0|1,1,0]=4 472 B9R1.8 c1ccnc(c1)CCCl TS37532 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.8 c1ccnc(c1)CCN TS04914 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.8 c1ccnc(c1)CCN TS17997 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.8 c1ccnc(c1)CCO TS04967 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.8 c1cnccc1CCN TS09522 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.8 c1cnccc1CCO TS70737 [2,0,0,0,0,0|1,0,0]=3 478 B9R1.8 c1cnccc1CCS TS06395 [2,0,0,0,0,0|1,1,0]=4 479 B9R1.8 c1cnccc1CCS TS46022 [2,0,0,0,0,0|1,1,0]=4 480 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [1,1,0,0,0,0|0,0,2]=4 481 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [1,1,0,0,0,0|1,0,0]=3 483 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [1,1,0,0,0,0|0,0,0]=2 484 B11R1.1 CCCCc1ccc(cc1)C TS07510 [1,1,0,0,0,0|0,0,0]=2 485 B11R1.1 CCCCc1ccc(cc1)I TS29429 [1,1,0,0,0,0|0,0,0]=2 486 B11R1.1 CCCCc1ccc(cc1)N TS07605 [1,1,0,0,0,0|0,0,0]=2 487 B11R1.1 CCCCc1ccc(cc1)O TS40895 [1,1,0,0,0,0|0,0,0]=2 488 B11R1.1 CCCCc1ccc(cc1)S TS43140 [1,1,0,0,0,0|0,0,0]=2 489 B11R1.1 CCCCc1ccc(nc1)C TS40771 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.1 CCCCc1cnc(nc1)Cl TS59722 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.1 CCCOc1ccc(cc1)N TS10071 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.1 CCCOc1ccc(cc1)O TS71268 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.1 CCNCc1ccc(cc1)F TS10337 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.1 CNCCc1ccc(cc1)F TS10330 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.1 CNCCc1ccc(cc1)N TS09940 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.1 CNCCc1ccc(cc1)O TS94477 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.1 COCCc1ccc(cc1)O TS10182 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [1,1,0,0,0,0|0,0,2]=4 503 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [1,1,0,0,0,0|0,0,2]=4 504 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [1,1,0,0,0,0|0,0,0]=2 505 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.1 c1cc(ccc1C#CCO)Br TS21066 [1,1,0,0,0,0|0,0,2]=4 511 B11R1.1 c1cc(ccc1C#CCO)Cl TS12310 [1,1,0,0,0,0|0,0,2]=4 512 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [1,1,0,0,0,0|0,0,2]=4 515 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.1 c1cc(ccc1CCCN)O TS10075 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [1,1,0,0,0,0|0,0,0]=2 518 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [1,1,0,0,0,0|0,0,0]=2 519 B11R1.1 c1cc(ccc1CCCO)O TS02185 [1,1,0,0,0,0|0,0,0]=2 520 B11R1.1 c1cc(ccc1N)NCCO TS62844 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.1 c1cc(ccc1NCCO)O TS10316 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.1 c1cc(ccc1OCCF)I TS73463 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [1,1,0,0,0,0|1,0,0]=3 531 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.1 c1cc(ccc1SCCN)Br TS30597 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.1 c1cc(ccc1SCCN)Cl TS15882 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.1 c1cc(ccc1SCCO)Cl TS16097 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.1 c1cc(ncc1Cl)SCCO TS50988 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.16 C#CCC(c1ccccc1)O TS07216 [1,1,0,0,0,0|0,0,2]=4 537 B11R1.16 C=CCC(c1ccccc1)O TS07476 [1,1,0,0,0,0|0,0,2]=4 538 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [1,1,0,0,0,0|0,0,2]=4 539 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [1,1,0,0,0,0|0,0,2]=4 540 B11R1.16 CC(CCO)c1ccccc1 TS40913 [1,1,0,0,0,0|0,0,0]=2 541 B11R1.16 CC(CNC)c1ccccc1 TS15544 [1,1,0,0,0,0|1,0,0]=3 542 B11R1.16 CC=CC(c1ccccc1)O TS07464 [1,1,0,0,0,0|0,0,2]=4 543 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [1,1,0,0,0,0|0,0,2]=4 544 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [1,1,0,0,0,0|0,0,1]=3 545 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [1,1,0,0,0,0|0,0,1]=3 546 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [1,1,0,0,0,0|1,0,1]=4 547 B11R1.16 CCCC(C)c1ccccc1 TS40687 [1,1,0,0,0,0|0,0,0]=2 548 B11R1.16 CCCC(c1ccccc1)N TS08991 [1,1,0,0,0,0|0,0,0]=2 549 B11R1.16 CCCC(c1ccccc1)O TS40897 [1,1,0,0,0,0|0,0,0]=2 550 B11R1.16 CCCC(c1cnccn1)N TS10091 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [1,1,0,0,0,0|0,0,0]=2 552 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [1,1,0,0,0,0|0,0,0]=2 553 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [1,1,0,0,0,0|0,0,0]=2 554 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [1,1,0,0,0,0|0,0,0]=2 555 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [1,1,0,0,0,0|1,0,1]=4 556 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [1,1,0,0,0,0|1,0,1]=4 558 B11R1.16 CN(CCO)c1ccccc1 TS41045 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.16 CN(CCO)c1ccccn1 TS41163 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [1,1,0,0,0,0|1,0,1]=4 561 B11R1.16 CNCC(c1ccccc1)O TS41049 [1,1,0,0,0,0|1,0,0]=3 562 B11R1.16 COCC(=O)c1ccccc1 TS09863 [1,1,0,0,0,0|1,0,1]=4 563 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [1,1,0,0,0,0|1,0,0]=3 564 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [1,1,0,0,0,0|1,0,1]=4 567 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [1,1,0,0,0,0|1,0,1]=4 568 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [1,1,0,0,0,0|1,0,1]=4 569 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [1,1,0,0,0,0|0,0,0]=2 572 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [1,1,0,0,0,0|0,0,0]=2 576 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [1,1,0,0,0,0|0,0,0]=2 577 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [1,1,0,0,0,0|0,0,0]=2 578 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [1,1,0,0,0,0|0,0,0]=2 581 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [1,1,0,0,0,0|0,0,0]=2 582 B11R1.17 C=CCCc1ccccc1Br TS43954 [1,1,0,0,0,0|0,0,2]=4 583 B11R1.17 CCCCc1c(nccn1)C TS09951 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.17 CCCCc1ccccc1N TS07609 [1,1,0,0,0,0|0,0,0]=2 585 B11R1.17 CNCCc1ccccc1F TS10332 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.17 Cc1ccccc1NCCO TS41044 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.17 Cc1ccccc1OCCBr TS08141 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.17 c1ccc(c(c1)C#CCO)Br TS21059 [1,1,0,0,0,0|0,0,2]=4 590 B11R1.17 c1ccc(c(c1)C#CCO)Cl TS12313 [1,1,0,0,0,0|0,0,2]=4 591 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [1,1,0,0,0,0|0,0,0]=2 595 B11R1.17 c1ccc(c(c1)N)NCCN TS10085 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.17 c1ccc(c(c1)N)NCCO TS16091 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [1,1,0,0,0,0|1,0,0]=3 598 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [1,1,0,0,0,0|2,0,0]=4 601 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.17 c1ccc(c(c1)SCCO)Br TS25354 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.24 CCNCc1cccc(c1)Br TS21623 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.24 CCNCc1cccc(c1)F TS10327 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.24 CNCCc1cccc(c1)F TS10334 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.24 Cc1cccc(c1)CCNC TS07599 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.24 Cc1cccc(c1)NCCO TS41037 [1,1,0,0,0,0|1,0,0]=3 613 B11R1.24 Cc1cccc(c1)OCCBr TS21831 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.24 Cc1cccc(c1)OCCO TS41130 [1,1,0,0,0,0|1,0,0]=3 615 B11R1.24 Cc1cccc(c1)SCCO TS44907 [1,1,0,0,0,0|1,0,0]=3 616 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.24 c1c(cncc1Br)OCCO TS49351 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.24 c1cc(cc(c1)Br)C#CCO TS21063 [1,1,0,0,0,0|0,0,2]=4 619 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [1,1,0,0,0,0|1,0,1]=4 620 B11R1.24 c1cc(cc(c1)Br)OCCBr TS54287 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.24 c1cc(cc(c1)Br)OCCF TS22534 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.24 c1cc(cc(c1)Cl)C#CCO TS12311 [1,1,0,0,0,0|0,0,2]=4 623 B11R1.24 c1cc(cc(c1)Cl)OCCBr TS25792 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [1,1,0,0,0,0|1,0,0]=3 625 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [1,1,0,0,0,0|0,0,0]=2 626 B11R1.24 c1cc(cc(c1)OCCO)O TS10404 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.28 C#CCCCc1ccccc1 TS07011 [1,1,0,0,0,0|0,0,1]=3 628 B11R1.28 C#CCOCc1ccccc1 TS07224 [1,1,0,0,0,0|0,0,2]=4 629 B11R1.28 C=CCOCc1ccccc1 TS07459 [1,1,0,0,0,0|0,0,2]=4 630 B11R1.28 CC=CCCc1ccncc1 TS07375 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.28 CCCC#Cc1ccccc1 TS07004 [1,1,0,0,0,0|0,0,1]=3 632 B11R1.28 CCCC=Cc1ccccc1 TS07261 [1,1,0,0,0,0|0,0,1]=3 633 B11R1.28 CCCCCc1ccccc1 TS07508 [1,1,0,0,0,0|0,0,0]=2 634 B11R1.28 CCCCCc1ccccn1 TS07608 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.28 CCCCNc1ccccc1 TS07616 [1,1,0,0,0,0|0,0,0]=2 636 B11R1.28 CCCCOc1ccccc1 TS40903 [1,1,0,0,0,0|0,0,0]=2 637 B11R1.28 CCCCOc1ccccn1 TS41040 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.28 CCCNCc1ccccc1 TS40768 [1,1,0,0,0,0|0,0,0]=2 639 B11R1.28 CCOC=Nc1ccccc1 TS07575 [1,1,0,0,0,0|1,0,1]=4 640 B11R1.28 CCOCCc1ccccn1 TS41030 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.28 CNCCCc1ccccc1 TS07594 [1,1,0,0,0,0|0,0,0]=2 642 B11R1.28 CNCCOc1ccccc1 TS50641 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.28 [C-]#[N+]CCCc1ccccc1 TS07119 [1,1,0,0,0,0|0,0,1]=3 644 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [1,1,0,0,0,0|0,0,0]=2 645 B11R1.28 c1ccc(cc1)CCCCN TS40769 [1,1,0,0,0,0|0,0,0]=2 646 B11R1.28 c1ccc(cc1)CCCCO TS09769 [1,1,0,0,0,0|0,0,0]=2 647 B11R1.28 c1ccc(cc1)CCN=C=O TS07337 [1,1,0,0,0,0|0,0,2]=4 648 B11R1.28 c1ccc(cc1)CCN=C=S TS11737 [1,1,0,0,0,0|0,1,1]=4 649 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [1,1,0,0,0,0|0,0,2]=4 650 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.28 c1ccc(cc1)CNCCN TS09934 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.28 c1ccc(cc1)COCC=O TS40846 [1,1,0,0,0,0|0,0,2]=4 653 B11R1.28 c1ccc(cc1)COCCBr TS01375 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.28 c1ccc(cc1)COCCCl TS45252 [1,1,0,0,0,0|1,0,0]=3 655 B11R1.28 c1ccc(cc1)COCCN TS50637 [1,1,0,0,0,0|1,0,0]=3 656 B11R1.28 c1ccc(cc1)COCCO TS59944 [1,1,0,0,0,0|0,0,0]=2 657 B11R1.28 c1ccc(cc1)COCON TS41272 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.28 c1ccc(cc1)CSCCN TS19660 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.28 c1ccc(cc1)CSCCO TS44906 [1,1,0,0,0,0|0,0,0]=2 661 B11R1.28 c1ccc(cc1)NCCC#N TS40450 [1,1,0,0,0,0|1,0,1]=4 662 B11R1.28 c1ccc(cc1)NCCCN TS09931 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.28 c1ccc(cc1)OCCC#N TS40518 [1,1,0,0,0,0|1,0,1]=4 664 B11R1.28 c1ccc(cc1)OCCCBr TS21836 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.28 c1ccc(cc1)OCCCO TS41131 [1,1,0,0,0,0|0,0,0]=2 666 B11R1.28 c1ccc(cc1)OCCO[NH3+] TS16257 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.28 c1ccc(cc1)SCCCCl TS15746 [1,1,0,0,0,0|1,0,0]=3 668 B11R1.28 c1ccc(cc1)SCCCN TS19659 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.28 c1cnccc1CCCCCl TS38931 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.28 c1cnccc1CSCCO TS12707 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [1,1,0,0,0,0|0,0,2]=4 672 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [1,1,0,0,0,0|1,0,1]=4 673 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [1,1,0,0,0,0|0,0,2]=4 675 B11R1.40 CC(Cc1ccccc1)NC TS07600 [1,1,0,0,0,0|1,0,0]=3 676 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [1,1,0,0,0,0|0,0,2]=4 677 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [1,1,0,0,0,0|0,0,1]=3 678 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [1,1,0,0,0,0|0,0,0]=2 680 B11R1.40 CCC(Cc1ccccc1)O TS00513 [1,1,0,0,0,0|0,0,0]=2 681 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [1,1,0,0,0,0|1,0,0]=3 688 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [1,1,0,0,0,0|0,0,0]=2 689 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,0,0,1,0|0,0,2]=4 690 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,0,0,1,0|0,0,2]=4 691 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,0,0,1,0|0,0,2]=4 692 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,0,0,1,0|0,0,2]=4 693 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,1,0,0,1,0|1,0,0]=3 694 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,1,0,0,1,0|1,0,0]=3 695 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [0,1,0,0,1,0|2,0,0]=4 696 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [0,1,0,0,1,0|2,0,0]=4 697 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,1,0,0,1,0|2,0,0]=4 698 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,1,0,0,1,0|2,0,0]=4 699 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,1,0,0,1,0|1,0,0]=3 700 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,1,0,0,1,0|1,0,0]=3 701 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,1,0,0,1,0|1,0,0]=3 702 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,1,0,0,1,0|2,0,0]=4 703 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,1,0,0,1,0|2,0,0]=4 704 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,0,0,1,0|0,0,2]=4 705 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,1,0,0,1,0|1,0,1]=4 706 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,1,0,0,1,0|1,0,1]=4 707 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,1,0,0,1,0|1,0,1]=4 708 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,1,0,0,1,0|1,0,1]=4 709 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,1,0,0,1,0|1,0,1]=4 710 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,1,0,0,1,0|1,0,1]=4 711 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,1,0,0,1,0|1,0,1]=4 712 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,1,0,0,1,0|1,0,1]=4 713 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,1,0,0,1,0|1,0,1]=4 714 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,0,0,1,0|1,0,1]=4 715 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,1,0|0,0,2]=4 716 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,1,0|0,0,2]=4 717 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,1,0,0,1,0|1,0,1]=4 718 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,1,0,0,1,0|1,0,1]=4 719 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,1,0,0,1,0|1,0,1]=4 720 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,1,0,0,1,0|1,0,0]=3 721 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,1,0,0,1,0|1,0,0]=3 722 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,1,0,0,1,0|1,0,0]=3 723 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,1,0,0,1,0|1,0,0]=3 724 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,1,0,0,1,0|1,0,0]=3 725 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,1,0,0,1,0|1,0,1]=4 726 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,1,0,0,1,0|2,0,0]=4 727 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,1,0,0,1,0|1,0,1]=4 728 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,1,0,0,1,0|2,0,0]=4 729 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,1,0,0,1,0|1,0,0]=3 730 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,1,0,0,1,0|1,0,0]=3 731 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,1,0,0,1,0|1,0,0]=3 732 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,1,0,0,1,0|1,0,1]=4 733 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,1,0,0,1,0|2,0,0]=4 734 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,1,0,0,1,0|1,0,1]=4 735 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,1,0,0,1,0|1,0,1]=4 736 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,1,0,0,1,0|1,0,1]=4 737 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,1,0,0,1,0|1,0,1]=4 738 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,1,0,0,1,0|1,0,1]=4 739 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,1,0,0,1,0|1,0,1]=4 740 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,1,0,0,1,0|1,0,1]=4 741 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,1,0,0,1,0|1,0,1]=4 742 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,1,0,0,1,0|1,0,1]=4 743 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,1,0,0,1,0|1,0,1]=4 744 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,1,0,0,1,0|1,0,1]=4 745 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,0,0,1,0|0,0,2]=4 746 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,0,0,1,0|0,0,2]=4 747 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,0,0,1,0|0,0,2]=4 748 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,1,0,0,1,0|1,0,0]=3 749 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,1,0,0,1,0|2,0,0]=4 750 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,1,0,0,1,0|2,0,0]=4 751 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,1,0,0,1,0|2,0,0]=4 752 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,1,0,0,1,0|2,0,0]=4 753 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,0,0,1,0|0,0,2]=4 754 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,1,0,0,1,0|1,0,1]=4 755 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,1,0,0,1,0|1,0,1]=4 756 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,1,0,0,1,0|1,0,1]=4 757 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,1,0,0,1,0|1,0,1]=4 758 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,1,0,0,1,0|1,0,1]=4 759 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,1,0,0,1,0|1,0,1]=4 760 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,1,0,0,1,0|1,0,1]=4 761 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,1,0,0,1,0|1,0,1]=4 762 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,1,0,0,1,0|1,0,1]=4 763 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,0,0,1,0|0,0,2]=4 764 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,0,0,1,0|0,0,2]=4 765 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,0,0,1,0|0,0,2]=4 766 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,0,0,1,0|0,0,2]=4 767 B11R1.157 CC(C)Nc1cccc(c1)F TS10329 [0,1,0,0,1,0|2,0,0]=4 768 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [0,1,0,0,1,0|2,0,0]=4 769 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [0,1,0,0,1,0|2,0,0]=4 770 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [0,1,0,0,1,0|2,0,0]=4 771 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [0,1,0,0,1,0|2,0,0]=4 772 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [0,1,0,0,1,0|2,0,0]=4 773 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,0,0,1,0|0,0,2]=4 774 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,1,0,0,1,0|1,0,1]=4 775 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [0,1,0,0,1,0|2,0,0]=4 776 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,1,0,0,1,0|1,0,1]=4 777 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,1,0,0,1,0|1,0,1]=4 778 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,1,0,0,1,0|1,0,1]=4 779 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,1,0,0,1,0|1,0,1]=4 780 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,1,0,0,1,0|1,0,1]=4 781 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,1,0,0,1,0|1,0,1]=4 782 B11R1.509 CC(C)(C)Cc1ccccc1 TS40684 [0,1,0,0,1,0|1,0,0]=3 783 B11R1.509 CC(C)(C)Oc1ccccc1 TS40911 [0,1,0,0,1,0|2,0,0]=4 784 B11R1.509 CC(C)(C)Pc1ccccc1 TS43094 [0,1,0,0,1,0|2,0,0]=4 785 B11R1.509 CC(C)(C)Pc1ccccc1 TS47823 [0,1,0,0,1,0|2,0,0]=4 786 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [0,1,0,0,1,0|0,0,0]=2 787 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [0,1,0,0,1,0|1,0,1]=4 788 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS15548 [0,1,0,0,1,0|2,0,0]=4 789 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS24835 [0,1,0,0,1,0|2,0,0]=4 790 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS35770 [0,1,0,0,1,0|2,0,0]=4 791 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS50591 [0,1,0,0,1,0|2,0,0]=4 792 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55765 [0,1,0,0,1,0|2,0,0]=4 793 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55766 [0,1,0,0,1,0|2,0,0]=4 794 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS81650 [0,1,0,0,1,0|2,0,0]=4 795 B11R1.509 C[Si](C)(C)Cc1ccccc1 TS42820 [0,1,0,0,1,0|1,1,0]=4 796 B11R1.509 C[Si](C)(Cc1ccccc1)Cl TS15404 [0,1,0,0,1,0|1,1,0]=4 797 B11R1.509 c1ccc(cc1)CP(=O)(O)O TS45408 [0,1,0,0,1,0|2,0,0]=4 798 B13R1.45 CC(=O)CCC(=O)c1ccccc1 TS13844 [0,1,0,0,0,1|0,0,2]=4 799 B13R1.45 CC(C)COC(=O)c1ccccc1 TS47554 [0,1,0,0,0,1|1,0,1]=4 800 B13R1.45 CC(C)NCC(c1ccccc1)O TS21946 [0,1,0,0,0,1|1,0,0]=3 801 B13R1.45 CC(CCC(=O)c1ccccc1)Br TS67693 [0,1,0,0,0,1|1,0,0]=3 802 B13R1.45 CN(C)CCC(c1ccccc1)Cl TS25505 [0,1,0,0,0,1|2,0,0]=4 803 B13R1.45 CN(C)CCC(c1ccccc1)N TS47615 [0,1,0,0,0,1|2,0,0]=4 804 B13R1.45 CN(C)CCC(c1ccccc1)O TS14460 [0,1,0,0,0,1|2,0,0]=4 805 B13R1.45 CN(CCC(=O)c1ccccc1)O TS14402 [0,1,0,0,0,1|1,0,0]=3 806 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O TS47500 [0,1,0,0,0,1|1,0,1]=4 807 B13R1.149 Cc1cccc(c1)CCC=C(C)C TS13559 [0,1,0,0,0,1|1,0,1]=4 808 B13R1.149 c1cc(cc(c1)Br)CCCC(=O)O TS26965 [0,1,0,0,0,1|1,0,1]=4 809 B13R1.149 c1cc(cc(c1)Br)OCCC(=O)O TS27267 [0,1,0,0,0,1|1,0,1]=4 810 B13R1.149 c1cc(cc(c1)Cl)CCCC(=O)O TS54134 [0,1,0,0,0,1|1,0,1]=4 811 B13R1.149 c1cc(cc(c1)Cl)OCCC(=O)O TS19107 [0,1,0,0,0,1|1,0,1]=4 812 B13R1.149 c1cc(cc(c1)N)CCCC(=O)O TS16873 [0,1,0,0,0,1|1,0,1]=4 813 B13R1.158 CN(C)CCOc1ccccc1N TS47972 [0,1,0,0,0,1|2,0,0]=4 814 B13R1.158 c1ccc(c(c1)NCCC(=O)O)Cl TS18889 [0,1,0,0,0,1|1,0,1]=4 815 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [0,1,0,0,0,1|0,0,2]=4 816 B13R1.348 CC(C)CC(=O)Cc1ccccc1 TS13901 [0,1,0,0,0,1|1,0,0]=3 817 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14060 [0,1,0,0,0,1|1,0,1]=4 818 B13R1.348 CC(C)CC(=O)Nc1ccccc1 TS14072 [0,1,0,0,0,1|1,0,1]=4 819 B13R1.348 CC(C)CC(Cc1ccccc1)O TS14271 [0,1,0,0,0,1|1,0,0]=3 820 B13R1.348 CC(Cc1ccccc1)OC(=O)C TS47556 [0,1,0,0,0,1|0,0,2]=4 821 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N TS21944 [0,1,0,0,0,1|1,0,1]=4 822 B13R1.348 c1ccc(cc1)C[C@H](CC(=O)O)N TS08080 [0,1,0,0,0,1|1,0,1]=4 823 B13R1.351 CC(C(=O)OCc1ccccc1)O TS47922 [0,1,0,0,0,1|0,0,1]=3 824 B13R1.351 CC(C(=O)O[Hg]c1ccccc1)O TS66679 [0,1,0,0,0,1|1,0,1]=4 825 B13R1.351 CC(C)C(=O)OCc1ccccc1 TS47553 [0,1,0,0,0,1|1,0,1]=4 826 B13R1.351 CC(C)C(C#Cc1ccccc1)O TS45818 [0,1,0,0,0,1|1,0,1]=4 827 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N TS02075 [0,1,0,0,0,1|1,0,1]=4 828 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N TS21929 [0,1,0,0,0,1|1,0,1]=4 829 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)O TS47888 [0,1,0,0,0,1|0,0,1]=3 830 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N TS79079 [0,1,0,0,0,1|1,0,1]=4 831 B13R1.351 C[C@H](C(=O)OCc1ccccc1)O TS47910 [0,1,0,0,0,1|0,0,1]=3 832 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [0,1,0,0,0,1|1,0,1]=4 833 B13R1.351 c1ccc(cc1)CCC(C(=O)O)N TS14422 [0,1,0,0,0,1|1,0,1]=4 834 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N TS94379 [0,1,0,0,0,1|1,0,1]=4 835 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)O TS08123 [0,1,0,0,0,1|1,0,1]=4 836 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O TS08071 [0,1,0,0,0,1|1,0,1]=4 837 B13R1.351 c1ccc(cc1)SC[C@@H](C(=O)O)N TS18477 [0,1,0,0,0,1|1,0,1]=4 838 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl TS18518 [0,1,0,0,0,1|0,0,2]=4 839 B13R1.513 CC(=O)NCCc1ccc(cc1)O TS14428 [0,1,0,0,0,1|0,0,2]=4 840 B13R1.513 CC(C)CCOc1ccc(cc1)N TS21950 [0,1,0,0,0,1|1,0,0]=3 841 B13R1.513 CN(C)CCOc1ccc(cc1)Br TS27117 [0,1,0,0,0,1|2,0,0]=4 842 B13R1.513 Cc1ccc(cc1)CCCC(=O)O TS14231 [0,1,0,0,0,1|1,0,1]=4 843 B13R1.513 Cc1ccc(cc1)OCCC(=O)O TS47889 [0,1,0,0,0,1|1,0,1]=4 844 B13R1.513 Cc1ccc(cc1)SCCC(=O)O TS18302 [0,1,0,0,0,1|1,0,1]=4 845 B13R1.513 c1cc(ccc1CCCC(=O)O)Br TS26969 [0,1,0,0,0,1|1,0,1]=4 846 B13R1.513 c1cc(ccc1CCCC(=O)O)F TS09533 [0,1,0,0,0,1|1,0,1]=4 847 B13R1.513 c1cc(ccc1CCCC(=O)O)I TS58067 [0,1,0,0,0,1|1,0,1]=4 848 B13R1.513 c1cc(ccc1CCCC(=O)O)N TS70752 [0,1,0,0,0,1|1,0,1]=4 849 B13R1.513 c1cc(ccc1CCCC(=O)O)O TS14581 [0,1,0,0,0,1|1,0,1]=4 850 B13R1.513 c1cc(ccc1OCCC(=O)O)Cl TS38003 [0,1,0,0,0,1|1,0,1]=4 851 B13R1.513 c1cc(ccc1OCCC(=O)O)F TS65683 [0,1,0,0,0,1|1,0,1]=4 852 B13R1.718 C#C[C@@H](COCc1ccccc1)O TS46108 [0,1,0,0,0,1|0,0,1]=3 853 B13R1.718 CC(CO)COCc1ccccc1 TS47950 [0,1,0,0,0,1|0,0,0]=2 854 B13R1.718 CCC(=O)OCCc1ccccc1 TS47567 [0,1,0,0,0,1|0,0,2]=4 855 B13R1.718 CC[C@H](COCc1ccccc1)N TS14450 [0,1,0,0,0,1|1,0,0]=3 856 B13R1.718 CC[C@H](COCc1ccccc1)O TS14645 [0,1,0,0,0,1|0,0,0]=2 857 B13R1.718 COC(=O)CCCc1ccccc1 TS47562 [0,1,0,0,0,1|0,0,2]=4 858 B13R1.718 COC(=O)CCNc1ccccc1 TS47749 [0,1,0,0,0,1|0,0,2]=4 859 B13R1.718 COC(=O)CCOc1ccccc1 TS08579 [0,1,0,0,0,1|0,0,2]=4 860 B13R1.718 COC(=O)CNCc1ccccc1 TS21937 [0,1,0,0,0,1|0,0,2]=4 861 B13R1.718 CSC(=S)NCCc1ccccc1 TS21179 [0,1,0,0,0,1|0,1,1]=4 862 B13R1.718 c1ccc(cc1)CCNC(=O)CCl TS18517 [0,1,0,0,0,1|0,0,2]=4 863 B13R1.718 c1ccc(cc1)CCOC(=O)CCl TS54126 [0,1,0,0,0,1|0,0,2]=4 864 B13R1.718 c1ccc(cc1)COCC(CCl)O TS38009 [0,1,0,0,0,1|0,0,0]=2 865 B13R1.718 c1ccc(cc1)COCC(CN)O TS14812 [0,1,0,0,0,1|0,0,0]=2 866 B13R1.718 c1ccc(cc1)COC[C@H](CO)N TS22298 [0,1,0,0,0,1|1,0,0]=3 867 B13R1.718 c1ccc(cc1)COC[C@H](CO)O TS48265 [0,1,0,0,0,1|0,0,0]=2 868 B13R1.718 c1ccc(cc1)CSC[C@@H](CO)N TS18487 [0,1,0,0,0,1|1,0,0]=3 869 B13R1.3523 C[Si](C)(CCCc1ccccc1)Cl TS44280 [0,1,0,0,0,1|1,1,0]=4 870 B13R1.3523 C[Si](CCCc1ccccc1)(Cl)Cl TS25365 [0,1,0,0,0,1|1,1,0]=4 871 B13R1.3523 c1ccc(cc1)CCCC(F)(F)F TS50707 [0,1,0,0,0,1|2,0,0]=4 872 B13R1.3523 c1ccc(cc1)CSCC(F)(F)F TS38987 [0,1,0,0,0,1|2,0,0]=4 873 B13R1.3523 c1ccc(cc1)NCCS(=O)(=O)O TS38123 [0,1,0,0,0,1|2,0,0]=4 874 B13R1.3 CC(=O)CCc1ccc(cc1)OC TS47574 [0,2,0,0,0,0|0,0,2]=4 875 B13R1.3 CC(C)COc1ccc(cc1)C=O TS02235 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.3 CC(COc1ccc(cc1)OC)O TS14974 [0,2,0,0,0,0|1,0,0]=3 877 B13R1.3 c1cc(ccc1CCC(=O)O)C#N TS39289 [0,2,0,0,0,0|1,0,1]=4 878 B13R1.3 c1cc(ccc1CCC(=O)O)C=O TS65686 [0,2,0,0,0,0|1,0,1]=4 879 B13R1.14 CC[C@H](C)COc1ccc(cc1)N TS14451 [0,2,0,0,0,0|2,0,0]=4 880 B13R1.14 COC(=O)CCc1ccc(cc1)Br TS57818 [0,2,0,0,0,0|0,0,2]=4 881 B13R1.14 COC(=O)CCc1ccc(cc1)O TS08561 [0,2,0,0,0,0|0,0,2]=4 882 B13R1.14 c1cc(ccc1OCC(CO)O)Cl TS38350 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.132 C[C@@H](CC(=O)O)c1ccc(cc1)F TS14958 [0,2,0,0,0,0|1,0,1]=4 884 B13R1.132 C[C@H](CC(=O)O)c1ccc(cc1)F TS14956 [0,2,0,0,0,0|1,0,1]=4 885 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N TS47739 [0,2,0,0,0,0|1,0,1]=4 886 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N TS14416 [0,2,0,0,0,0|1,0,1]=4 887 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N TS47743 [0,2,0,0,0,0|1,0,1]=4 888 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Br TS61961 [0,2,0,0,0,0|1,0,1]=4 889 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl TS37789 [0,2,0,0,0,0|1,0,1]=4 890 B13R1.132 c1cc(ccc1C(CC(=O)O)N)F TS46441 [0,2,0,0,0,0|1,0,1]=4 891 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br TS27097 [0,2,0,0,0,0|1,0,1]=4 892 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl TS01974 [0,2,0,0,0,0|1,0,1]=4 893 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F TS39944 [0,2,0,0,0,0|1,0,1]=4 894 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Br TS27096 [0,2,0,0,0,0|1,0,1]=4 895 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Cl TS37795 [0,2,0,0,0,0|1,0,1]=4 896 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)F TS46659 [0,2,0,0,0,0|1,0,1]=4 897 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)O TS14755 [0,2,0,0,0,0|1,0,1]=4 898 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N TS00727 [0,2,0,0,0,0|1,0,1]=4 899 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br TS61956 [0,2,0,0,0,0|1,0,1]=4 900 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl TS37793 [0,2,0,0,0,0|1,0,1]=4 901 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F TS48417 [0,2,0,0,0,0|1,0,1]=4 902 B13R1.133 c1cc(ccc1CC(C(=O)O)N)N TS47938 [0,2,0,0,0,0|1,0,1]=4 903 B13R1.133 c1cc(ccc1CC(C(=O)O)N)O TS14760 [0,2,0,0,0,0|1,0,1]=4 904 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl TS37790 [0,2,0,0,0,0|1,0,1]=4 905 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F TS49679 [0,2,0,0,0,0|1,0,1]=4 906 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N TS18621 [0,2,0,0,0,0|1,0,1]=4 907 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N TS49189 [0,2,0,0,0,0|1,0,1]=4 908 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TS14777 [0,2,0,0,0,0|1,0,1]=4 909 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TS49331 [0,2,0,0,0,0|1,0,1]=4 910 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TS14922 [0,2,0,0,0,0|1,0,1]=4 911 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F TS49680 [0,2,0,0,0,0|1,0,1]=4 912 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O TS48065 [0,2,0,0,0,0|1,0,1]=4 913 B13R1.164 c1cc(c(cc1Cl)Cl)CCC(=O)O TS02498 [0,2,0,0,0,0|1,0,1]=4 914 B13R1.164 c1cc(c(cc1Cl)F)CCC(=O)O TS38347 [0,2,0,0,0,0|1,0,1]=4 915 B13R1.164 c1cc(c(cc1F)Br)CCC(=O)O TS27554 [0,2,0,0,0,0|1,0,1]=4 916 B13R1.164 c1cc(c(cc1F)F)CCC(=O)O TS48853 [0,2,0,0,0,0|1,0,1]=4 917 B13R1.164 c1cc(c(cc1O)O)CCC(=O)O TS14936 [0,2,0,0,0,0|1,0,1]=4 918 B13R1.511 Cc1ccc(cc1C)CCC(=O)O TS14244 [0,2,0,0,0,0|1,0,1]=4 919 B13R1.511 c1cc(c(cc1CCC(=O)O)Cl)Cl TS49549 [0,2,0,0,0,0|1,0,1]=4 920 B13R1.511 c1cc(c(cc1CCC(=O)O)F)F TS48847 [0,2,0,0,0,0|1,0,1]=4 921 B13R1.511 c1cc(c(cc1CCC(=O)O)N)Br TS09410 [0,2,0,0,0,0|1,0,1]=4 922 B13R1.511 c1cc(c(cc1CCC(=O)O)N)O TS48063 [0,2,0,0,0,0|1,0,1]=4 923 B13R1.511 c1cc(c(cc1CCC(=O)O)O)O TS48226 [0,2,0,0,0,0|1,0,1]=4 924 B13R1.512 Cc1ccc(cc1)CC[Si](C)(Cl)Cl TS25364 [0,2,0,0,0,0|1,1,0]=4 925 B13R1.11 COC(=O)CC(c1ccccc1)N TS21935 [0,2,0,0,0,0|0,0,2]=4 926 B13R1.11 COC(=O)C[C@@H](c1ccccc1)O TS47893 [0,2,0,0,0,0|0,0,2]=4 927 B13R1.11 COC(=O)C[C@H](c1ccccc1)O TS14616 [0,2,0,0,0,0|0,0,2]=4 928 B13R1.11 C[C@H](CC(=O)OC)c1ccccc1 TS47550 [0,2,0,0,0,0|0,0,2]=4 929 B13R1.15 COC(=O)CCc1cccc(c1)O TS14613 [0,2,0,0,0,0|0,0,2]=4 930 B13R1.42 CCCC(=O)CCc1ccccc1 TS46164 [0,2,0,0,0,0|0,0,2]=4 931 B13R1.42 CCOC(=O)CCc1ccccc1 TS14228 [0,2,0,0,0,0|0,0,2]=4 932 B13R1.42 CNCC(COc1ccccc1)O TS48105 [0,2,0,0,0,0|1,0,0]=3 933 B13R1.42 COCC(CNc1ccccc1)O TS14814 [0,2,0,0,0,0|1,0,0]=3 934 B13R1.135 COC(=O)C(Cc1ccccc1)N TS44744 [0,2,0,0,0,0|0,0,2]=4 935 B13R1.135 COC(=O)C(Cc1ccccc1)O TS14600 [0,2,0,0,0,0|0,0,2]=4 936 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N TS44743 [0,2,0,0,0,0|0,0,2]=4 937 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N TS21934 [0,2,0,0,0,0|0,0,2]=4 938 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O TS47920 [0,2,0,0,0,0|0,0,2]=4 939 B13R1.135 c1ccc(cc1)CC(C(=NO)O)N TS47937 [0,2,0,0,0,0|1,0,1]=4 940 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N TS56421 [0,2,0,0,0,0|0,0,2]=4 941 B13R1.254 CCC(C)(C#Cc1ccccc1)O TS45815 [0,2,0,0,0,0|0,0,2]=4 942 B13R1.254 CCC(C)(CCc1ccccc1)O TS14279 [0,2,0,0,0,0|0,0,0]=2 943 B13R1.417 C=C[C@@H](CI)OCc1ccccc1 TS35115 [0,2,0,0,0,0|2,0,0]=4 944 B13R1.417 CC[C@@H](CO)NCc1ccccc1 TS47775 [0,2,0,0,0,0|1,0,0]=3 945 B13R1.417 CC[C@H](CO)NCc1ccccc1 TS14461 [0,2,0,0,0,0|1,0,0]=3 946 B13R1.417 COC(COc1ccccc1)OC TS48264 [0,2,0,0,0,0|1,0,0]=3 947 B13R1.417 c1ccc(cc1)CO[C@@H](CO)C=O TS14595 [0,2,0,0,0,0|1,0,1]=4 948 B13R1.528 COC(=O)CCc1ccccc1Br TS57813 [0,2,0,0,0,0|0,0,2]=4 949 B13R1.528 COC(=O)CCc1ccccc1O TS47905 [0,2,0,0,0,0|0,0,2]=4 950 B13R1.148 Cc1cccc(c1)CC(C(=O)O)N TS14426 [0,2,0,0,0,0|1,0,1]=4 951 B13R1.148 Cc1cccc(c1)C[C@@H](C(=O)O)N TS64911 [0,2,0,0,0,0|1,0,1]=4 952 B13R1.148 c1cc(cc(c1)Br)CC(C(=O)O)N TS27101 [0,2,0,0,0,0|1,0,1]=4 953 B13R1.148 c1cc(cc(c1)Br)C[C@@H](C(=O)O)N TS27094 [0,2,0,0,0,0|1,0,1]=4 954 B13R1.148 c1cc(cc(c1)Br)C[C@H](C(=O)O)N TS61965 [0,2,0,0,0,0|1,0,1]=4 955 B13R1.148 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N TS37808 [0,2,0,0,0,0|1,0,1]=4 956 B13R1.148 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N TS18893 [0,2,0,0,0,0|1,0,1]=4 957 B13R1.148 c1cc(cc(c1)F)CC(C(=O)O)N TS15119 [0,2,0,0,0,0|1,0,1]=4 958 B13R1.148 c1cc(cc(c1)F)C[C@@H](C(=O)O)N TS48415 [0,2,0,0,0,0|1,0,1]=4 959 B13R1.148 c1cc(cc(c1)F)C[C@H](C(=O)O)N TS48409 [0,2,0,0,0,0|1,0,1]=4 960 B13R1.148 c1cc(cc(c1)I)CC(C(=O)O)N TS58148 [0,2,0,0,0,0|1,0,1]=4 961 B13R1.148 c1cc(cc(c1)O)CC(C(=O)O)N TS14776 [0,2,0,0,0,0|1,0,1]=4 962 B13R1.148 c1cc(cc(c1)O)C[C@@H](C(=O)O)N TS48066 [0,2,0,0,0,0|1,0,1]=4 963 B13R1.148 c1cc(cc(c1)O)C[C@H](C(=O)O)N TS48095 [0,2,0,0,0,0|1,0,1]=4 964 B13R1.152 CC(=O)C(C(c1ccccc1)Br)Br TS60548 [0,2,0,0,0,0|0,0,2]=4 965 B13R1.152 CC(c1ccccc1)C(C(=O)O)N TS14395 [0,2,0,0,0,0|1,0,1]=4 966 B13R1.152 CC(c1ccccc1)C(C(=O)O)N TS59683 [0,2,0,0,0,0|1,0,1]=4 967 B13R1.152 C[C@@H]([C@H](c1ccccc1)O)N(C)C TS14453 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.152 C[C@H]([C@H](c1ccccc1)O)N(C)C TS14449 [0,2,0,0,0,0|2,0,0]=4 969 B13R1.152 c1ccc(cc1)C(C(C(=O)O)Br)Br TS60692 [0,2,0,0,0,0|1,0,1]=4 970 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O TS48064 [0,2,0,0,0,0|1,0,1]=4 971 B13R1.152 c1ccc(cc1)[C@@H]([C@@H](C(=O)O)N)O TS48081 [0,2,0,0,0,0|1,0,1]=4 972 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)N)O TS48091 [0,2,0,0,0,0|1,0,1]=4 973 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS14756 [0,2,0,0,0,0|1,0,1]=4 974 B13R1.152 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)N TS59848 [0,2,0,0,0,0|1,0,1]=4 975 B13R1.152 c1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O TS14769 [0,2,0,0,0,0|1,0,1]=4 976 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Br TS61964 [0,2,0,0,0,0|1,0,1]=4 977 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl TS18888 [0,2,0,0,0,0|1,0,1]=4 978 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)F TS48413 [0,2,0,0,0,0|1,0,1]=4 979 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)O TS14773 [0,2,0,0,0,0|1,0,1]=4 980 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Br TS61950 [0,2,0,0,0,0|1,0,1]=4 981 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)F TS48416 [0,2,0,0,0,0|1,0,1]=4 982 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)I TS58147 [0,2,0,0,0,0|1,0,1]=4 983 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)O TS48077 [0,2,0,0,0,0|1,0,1]=4 984 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Br TS27103 [0,2,0,0,0,0|1,0,1]=4 985 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)F TS65252 [0,2,0,0,0,0|1,0,1]=4 986 B13R1.353 c1ccc(cc1)CC(C(F)(F)F)N TS50891 [0,2,0,0,0,0|2,0,0]=4 987 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS01607 [0,2,0,0,0,0|1,0,1]=4 988 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS21931 [0,2,0,0,0,0|1,0,1]=4 989 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N TS47742 [0,2,0,0,0,0|1,0,1]=4 990 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)O TS47921 [0,2,0,0,0,0|1,0,1]=4 991 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N TS47730 [0,2,0,0,0,0|1,0,1]=4 992 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)O TS14587 [0,2,0,0,0,0|1,0,1]=4 993 B13R1.147 Cc1cccc(c1)C(CC(=O)O)N TS14427 [0,2,0,0,0,0|1,0,1]=4 994 B13R1.147 Cc1cccc(c1)[C@@H](CC(=O)O)N TS47721 [0,2,0,0,0,0|1,0,1]=4 995 B13R1.147 Cc1cccc(c1)[C@H](CC(=O)O)N TS14417 [0,2,0,0,0,0|1,0,1]=4 996 B13R1.147 c1cc(cc(c1)Br)[C@@H](CC(=O)O)N TS27095 [0,2,0,0,0,0|1,0,1]=4 997 B13R1.147 c1cc(cc(c1)Cl)C(CC(=O)O)N TS37792 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.147 c1cc(cc(c1)Cl)[C@@H](CC(=O)O)N TS37810 [0,2,0,0,0,0|1,0,1]=4 999 B13R1.147 c1cc(cc(c1)Cl)[C@H](CC(=O)O)N TS37809 [0,2,0,0,0,0|1,0,1]=4 1000 B13R1.147 c1cc(cc(c1)F)C(CC(=O)O)N TS48418 [0,2,0,0,0,0|1,0,1]=4 1001 B13R1.147 c1cc(cc(c1)F)[C@@H](CC(=O)O)N TS15117 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.147 c1cc(cc(c1)F)[C@H](CC(=O)O)N TS48410 [0,2,0,0,0,0|1,0,1]=4 1003 B13R1.147 c1cc(cc(c1)O)C(CC(=O)O)N TS48071 [0,2,0,0,0,0|1,0,1]=4 1004 B13R1.147 c1cc(cc(c1)O)[C@@H](CC(=O)O)N TS48090 [0,2,0,0,0,0|1,0,1]=4 1005 B13R1.147 c1cc(cc(c1)O)[C@H](CC(=O)O)N TS14753 [0,2,0,0,0,0|1,0,1]=4 1006 B13R1.201 Cc1ccccc1C(CC(=O)O)N TS14408 [0,2,0,0,0,0|1,0,1]=4 1007 B13R1.201 Cc1ccccc1[C@@H](CC(=O)O)N TS14418 [0,2,0,0,0,0|1,0,1]=4 1008 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Br TS27102 [0,2,0,0,0,0|1,0,1]=4 1009 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl TS37798 [0,2,0,0,0,0|1,0,1]=4 1010 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)F TS15120 [0,2,0,0,0,0|1,0,1]=4 1011 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)O TS48069 [0,2,0,0,0,0|1,0,1]=4 1012 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Br TS27100 [0,2,0,0,0,0|1,0,1]=4 1013 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)Cl TS37796 [0,2,0,0,0,0|1,0,1]=4 1014 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)F TS48419 [0,2,0,0,0,0|1,0,1]=4 1015 B13R1.201 c1ccc(c(c1)[C@@H](CC(=O)O)N)O TS48070 [0,2,0,0,0,0|1,0,1]=4 1016 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Br TS27106 [0,2,0,0,0,0|1,0,1]=4 1017 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)Cl TS37802 [0,2,0,0,0,0|1,0,1]=4 1018 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)F TS48422 [0,2,0,0,0,0|1,0,1]=4 1019 B13R1.201 c1ccc(c(c1)[C@H](CC(=O)O)N)O TS48074 [0,2,0,0,0,0|1,0,1]=4 1020 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 TS46158 [0,2,0,0,0,0|0,0,2]=4 1021 B13R1.713 CC(C)N[C@@H](CO)c1ccccc1 TS14454 [0,2,0,0,0,0|2,0,0]=4 1022 B13R1.713 c1ccc(cc1)C(CC(=O)O)NO TS48067 [0,2,0,0,0,0|1,0,1]=4 1023 B13R1.90 CC(COc1ccccc1OC)O TS14971 [0,2,0,0,0,0|1,0,0]=3 1024 B13R1.90 COc1ccccc1CCC(=O)O TS47908 [0,2,0,0,0,0|1,0,1]=4 1025 B13R1.90 c1ccc(c(c1)CCC(=O)O)C=O TS47512 [0,2,0,0,0,0|1,0,1]=4 1026 B13R1.157 CC(C)(CCc1ccccc1O)O TS14643 [0,2,0,0,0,0|0,0,0]=2 1027 B13R1.3787 Cc1cccc(c1OCC(C)N)C TS14466 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.3787 Cc1cccc(c1OCC(C)N)C TS21948 [0,2,0,0,0,0|2,0,0]=4 1029 B13R1.643 CC(COc1cccc(c1)OC)O TS48260 [0,2,0,0,0,0|1,0,0]=3 1030 B13R1.643 COc1cccc(c1)CCC(=O)O TS09414 [0,2,0,0,0,0|1,0,1]=4 1031 B13R1.643 c1cc(cc(c1)C#N)CCC(=O)O TS13677 [0,2,0,0,0,0|1,0,1]=4 1032 B13R1.643 c1cc(cc(c1)C=O)CCC(=O)O TS14169 [0,2,0,0,0,0|1,0,1]=4 1033 B13R1.838 CC(C)(C#Cc1cccc(c1)N)O TS45985 [0,2,0,0,0,0|0,0,2]=4 1034 B13R1.3420 c1c(cc(cc1Cl)Cl)CCC(=O)O TS39288 [0,2,0,0,0,0|1,0,1]=4 1035 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [1,0,0,1,0,0|0,0,2]=4 1036 B11R2.1 CC1CCc2c1nccn2 TS05914 [1,0,0,1,0,0|2,0,0]=4 1037 B11R2.1 CC1CNc2c1cccc2 TS05845 [1,0,0,1,0,0|1,0,0]=3 1038 B11R2.1 CN1CCc2c1cccc2 TS36778 [1,0,0,1,0,0|1,0,0]=3 1039 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [1,0,0,1,0,0|1,0,0]=3 1040 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [1,0,0,1,0,0|2,0,0]=4 1041 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [1,0,0,1,0,0|2,0,0]=4 1042 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [1,0,0,1,0,0|2,0,0]=4 1043 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [1,0,0,1,0,0|0,0,2]=4 1044 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [1,0,0,1,0,0|1,0,0]=3 1045 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [1,0,0,1,0,0|1,0,0]=3 1046 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [1,0,0,1,0,0|1,0,0]=3 1047 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [1,0,0,1,0,0|0,0,0]=2 1048 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [1,0,0,1,0,0|1,0,0]=3 1049 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [1,0,0,1,0,0|0,0,0]=2 1050 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [1,0,0,1,0,0|1,0,0]=3 1051 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [1,0,0,1,0,0|1,0,0]=3 1052 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [1,0,0,1,0,0|0,0,0]=2 1053 B11R2.4 CC1CC1c2ccccc2 TS36705 [1,0,0,1,0,0|0,0,0]=2 1054 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [1,0,0,1,0,0|1,0,0]=3 1055 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [1,0,0,1,0,0|1,0,0]=3 1056 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [1,0,0,1,0,0|1,0,0]=3 1057 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [1,0,0,1,0,0|1,0,0]=3 1058 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [1,0,0,1,0,0|1,0,0]=3 1059 B11R2.20 C1CCC2=C(C1)CC=CC2 TS36861 [1,0,0,1,0,0|0,0,2]=4 1060 B11R2.20 C1CCC2C=CC=CC2C1 TS36857 [1,0,0,1,0,0|0,0,2]=4 1061 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [1,0,0,1,0,0|1,0,0]=3 1062 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [1,0,0,1,0,0|2,0,0]=4 1063 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [1,0,0,1,0,0|2,0,0]=4 1064 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [1,0,0,1,0,0|2,0,0]=4 1065 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [1,0,0,1,0,0|2,0,0]=4 1066 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [1,0,0,1,0,0|2,0,0]=4 1067 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [1,0,0,1,0,0|2,0,0]=4 1068 B11R2.20 c1cc2c(nc1)NCCO2 TS02543 [1,0,0,1,0,0|2,0,0]=4 1069 B11R2.20 c1cc2c(nc1)OCCN2 TS87732 [1,0,0,1,0,0|2,0,0]=4 1070 B11R2.20 c1cc2c(nc1)OCCO2 TS37086 [1,0,0,1,0,0|2,0,0]=4 1071 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [1,0,0,1,0,0|0,0,2]=4 1072 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [1,0,0,1,0,0|0,0,2]=4 1073 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [1,0,0,1,0,0|0,0,0]=2 1074 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [1,0,0,1,0,0|0,0,0]=2 1075 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [1,0,0,1,0,0|1,0,0]=3 1076 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [1,0,0,1,0,0|1,0,1]=4 1077 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [1,0,0,1,0,0|1,0,0]=3 1078 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [1,0,0,1,0,0|1,0,0]=3 1079 B11R2.20 c1ccc2c(c1)NCCN2 TS00343 [1,0,0,1,0,0|2,0,0]=4 1080 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [1,0,0,1,0,0|1,0,0]=3 1081 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [1,0,0,1,0,0|1,0,0]=3 1082 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [1,0,0,1,0,0|1,0,0]=3 1083 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [1,0,0,1,0,0|1,1,0]=4 1084 B11R2.20 c1cnc2c(n1)CCCC2 TS71335 [1,0,0,1,0,0|2,0,0]=4 1085 B11R2.20 c1cncc2c1CCCC2 TS16964 [1,0,0,1,0,0|1,0,0]=3 1086 B11R2.20 c1cncc2c1CCNC2 TS05913 [1,0,0,1,0,0|2,0,0]=4 1087 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [1,0,0,1,0,0|0,0,0]=2 1088 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [1,0,0,1,0,0|1,0,0]=3 1089 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [1,0,0,1,0,0|1,0,0]=3 1090 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [1,0,0,1,0,0|1,0,0]=3 1091 B11R2.238 c1ccc(cc1)SC2CC2 TS55842 [1,0,0,1,0,0|1,0,0]=3 1092 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [1,0,0,1,0,0|1,0,0]=3 1093 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [1,0,0,1,0,0|0,0,0]=2 1094 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,1,1,0|1,0,1]=4 1095 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,0,0,1,1,0|1,0,0]=3 1096 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,0,0,1,1,0|0,0,0]=2 1097 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,0,0,1,1,0|0,0,2]=4 1098 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,0,0,1,1,0|1,0,1]=4 1099 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,1,1,0|0,0,2]=4 1100 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,1,1,0|1,0,1]=4 1101 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,0,0,1,1,0|1,0,0]=3 1102 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,0,0,1,1,0|0,0,0]=2 1103 B13R2.10 CC1COC(O1)c2ccccc2 TS42733 [0,0,0,1,0,1|0,0,0]=2 1104 B13R2.10 c1ccc(cc1)C2CC(=O)NC2 TS09765 [0,0,0,1,0,1|0,0,2]=4 1105 B13R2.10 c1ccc(cc1)C2CCC(=O)C2 TS42185 [0,0,0,1,0,1|0,0,2]=4 1106 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 TS42441 [0,0,0,1,0,1|1,0,1]=4 1107 B13R2.10 c1ccc(cc1)C2CN=C(O2)N TS11560 [0,0,0,1,0,1|1,0,1]=4 1108 B13R2.10 c1ccc(cc1)C2CNC(=O)O2 TS11695 [0,0,0,1,0,1|1,0,1]=4 1109 B13R2.31 c1ccc(cc1)CN2CC(C2)O TS46863 [0,0,0,1,0,1|0,0,0]=2 1110 B13R2.72 CC(=O)N1CCc2c1cccc2 TS42311 [0,0,0,1,0,1|0,0,2]=4 1111 B13R2.72 CC(c1c[nH]c2c1cccc2)O TS11413 [0,0,0,1,0,1|0,0,2]=4 1112 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O TS11706 [0,0,0,1,0,1|1,0,1]=4 1113 B13R2.72 c1ccc2c(c1)CNC2C(=O)O TS11687 [0,0,0,1,0,1|1,0,1]=4 1114 B13R2.187 c1ccc(cc1)SC2CC2(Cl)Cl TS22546 [0,0,0,1,0,1|2,0,0]=4 1115 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O TS85468 [0,0,0,1,0,1|1,0,1]=4 1116 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 TS01683 [0,0,0,1,0,1|0,0,0]=2 1117 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 TS59666 [0,0,0,1,0,1|0,0,0]=2 1118 B13R2.3122 CC1(CNCc2c1cccc2)C TS09560 [0,0,0,1,0,1|1,0,0]=3 1119 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br TS89189 [0,1,0,1,0,0|0,0,2]=4 1120 B13R2.155 CN1CCc2ccc(cc2C1)N TS87808 [0,1,0,1,0,0|2,0,0]=4 1121 B13R2.155 Cc1ccc2c(c1)CC(CC2)C TS42213 [0,1,0,1,0,0|1,0,0]=3 1122 B13R2.155 Cc1ccc2c(c1)CC(CO2)N TS37813 [0,1,0,1,0,0|2,0,0]=4 1123 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 TS16491 [0,1,0,1,0,0|0,0,2]=4 1124 B13R2.155 c1cc2c(cc1Br)CC(CC2)N TS24125 [0,1,0,1,0,0|1,0,0]=3 1125 B13R2.155 c1cc2c(cc1Br)CC(CO2)N TS30087 [0,1,0,1,0,0|2,0,0]=4 1126 B13R2.155 c1cc2c(cc1Br)CC(CS2)N TS61975 [0,1,0,1,0,0|2,0,0]=4 1127 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 TS48002 [0,1,0,1,0,0|0,0,2]=4 1128 B13R2.155 c1cc2c(cc1Cl)CC(CC2)N TS48168 [0,1,0,1,0,0|1,0,0]=3 1129 B13R2.155 c1cc2c(cc1Cl)CC(CO2)N TS22702 [0,1,0,1,0,0|2,0,0]=4 1130 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 TS16517 [0,1,0,1,0,0|0,0,2]=4 1131 B13R2.155 c1cc2c(cc1F)CC(CC2)N TS12051 [0,1,0,1,0,0|1,0,0]=3 1132 B13R2.155 c1cc2c(cc1F)CC(CS2)N TS15162 [0,1,0,1,0,0|2,0,0]=4 1133 B13R2.155 c1cc2c(cc1N)CC(CC2)N TS42504 [0,1,0,1,0,0|1,0,0]=3 1134 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 TS16524 [0,1,0,1,0,0|0,0,2]=4 1135 B13R2.155 c1cc2c(cc1O)CC(CC2)N TS11729 [0,1,0,1,0,0|1,0,0]=3 1136 B13R2.527 Cc1ccc(cc1)OCC2CO2 TS11895 [0,1,0,1,0,0|1,0,0]=3 1137 B13R2.527 c1cc(ccc1NCC2CC2)Cl TS22341 [0,1,0,1,0,0|2,0,0]=4 1138 B13R2.527 c1cc(ccc1OCC2CO2)Br TS52779 [0,1,0,1,0,0|1,0,0]=3 1139 B13R2.527 c1cc(ccc1OCC2CO2)Cl TS15374 [0,1,0,1,0,0|1,0,0]=3 1140 B13R2.527 c1cc(ccc1OCC2CO2)F TS44856 [0,1,0,1,0,0|1,0,0]=3 1141 B13R2.527 c1cc(ccc1OC[C@@H]2CO2)Br TS52788 [0,1,0,1,0,0|1,0,0]=3 1142 B13R2.527 c1cc(ccc1OC[C@@H]2CO2)F TS44850 [0,1,0,1,0,0|1,0,0]=3 1143 B13R2.527 c1cc(ccc1OC[C@H]2CO2)Br TS52796 [0,1,0,1,0,0|1,0,0]=3 1144 B13R2.527 c1cc(ccc1OC[C@H]2CO2)Cl TS48664 [0,1,0,1,0,0|1,0,0]=3 1145 B13R2.527 c1cc(ccc1OC[C@H]2CO2)F TS44849 [0,1,0,1,0,0|1,0,0]=3 1146 B13R2.2988 Cc1ccc(cc1)C2CC2(F)F TS12519 [0,1,0,1,0,0|2,0,0]=4 1147 B13R2.32 CC1CCc2ccccc2C1=O TS42187 [0,1,0,1,0,0|0,0,1]=3 1148 B13R2.32 CC1c2ccccc2CCC1=O TS42189 [0,1,0,1,0,0|0,0,2]=4 1149 B13R2.32 c1ccc2c(c1)C=CC(C2O)O TS11543 [0,1,0,1,0,0|0,0,2]=4 1150 B13R2.32 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O TS42439 [0,1,0,1,0,0|0,0,2]=4 1151 B13R2.32 c1ccc2c(c1)CCC(C2=O)Br TS23949 [0,1,0,1,0,0|1,0,1]=4 1152 B13R2.32 c1ccc2c(c1)CCC(C2O)N TS37812 [0,1,0,1,0,0|1,0,0]=3 1153 B13R2.32 c1ccc2c(c1)CC[C@@H]([C@@H]2O)O TS11881 [0,1,0,1,0,0|0,0,0]=2 1154 B13R2.33 c1ccc2c(c1)OCC(CS2)O TS15005 [0,1,0,1,0,0|1,0,0]=3 1155 B13R2.57 CCC1CCc2ccccc2C1 TS42212 [0,1,0,1,0,0|1,0,0]=3 1156 B13R2.57 CNC1Cc2ccccc2OC1 TS11717 [0,1,0,1,0,0|2,0,0]=4 1157 B13R2.57 c1ccc2c(c1)CC(CO2)CI TS33563 [0,1,0,1,0,0|2,0,0]=4 1158 B13R2.57 c1ccc2c(c1)CC(CO2)CN TS18910 [0,1,0,1,0,0|2,0,0]=4 1159 B13R2.57 c1ccc2c(c1)CC(CO2)CO TS11871 [0,1,0,1,0,0|1,0,0]=3 1160 B13R2.57 c1ccc2c(c1)CC(NC2)CN TS11604 [0,1,0,1,0,0|2,0,0]=4 1161 B13R2.57 c1ccc2c(c1)CC(NC2)CN TS25706 [0,1,0,1,0,0|2,0,0]=4 1162 B13R2.57 c1ccc2c(c1)CCC(C2)CN TS42347 [0,1,0,1,0,0|1,0,0]=3 1163 B13R2.57 c1ccc2c(c1)CCC(O2)CBr TS32908 [0,1,0,1,0,0|0,0,0]=2 1164 B13R2.57 c1ccc2c(c1)CCN(C2)C=O TS11407 [0,1,0,1,0,0|1,0,1]=4 1165 B13R2.57 c1ccc2c(c1)CC[C@@H](O2)CN TS11720 [0,1,0,1,0,0|0,0,0]=2 1166 B13R2.57 c1ccc2c(c1)C[C@H](NC2)CN TS42497 [0,1,0,1,0,0|2,0,0]=4 1167 B13R2.57 c1ccc2c(c1)NC(CO2)CN TS11898 [0,1,0,1,0,0|2,0,0]=4 1168 B13R2.57 c1ccc2c(c1)NC(CO2)CO TS42895 [0,1,0,1,0,0|2,0,0]=4 1169 B13R2.57 c1ccc2c(c1)NCC(O2)C#N TS59996 [0,1,0,1,0,0|1,0,1]=4 1170 B13R2.57 c1ccc2c(c1)NCC(O2)CO TS12002 [0,1,0,1,0,0|1,0,0]=3 1171 B13R2.57 c1ccc2c(c1)OCC(O2)C=O TS11818 [0,1,0,1,0,0|1,0,1]=4 1172 B13R2.57 c1ccc2c(c1)OCC(O2)CBr TS52790 [0,1,0,1,0,0|1,0,0]=3 1173 B13R2.57 c1ccc2c(c1)OCC(O2)CCl TS15381 [0,1,0,1,0,0|1,0,0]=3 1174 B13R2.57 c1ccc2c(c1)OCC(O2)CI TS31077 [0,1,0,1,0,0|1,0,0]=3 1175 B13R2.57 c1ccc2c(c1)OCC(O2)CN TS46699 [0,1,0,1,0,0|1,0,0]=3 1176 B13R2.57 c1ccc2c(c1)OCC(O2)CO TS12169 [0,1,0,1,0,0|1,0,0]=3 1177 B13R2.57 c1ccc2c(c1)OC[C@@H](O2)CBr TS08917 [0,1,0,1,0,0|1,0,0]=3 1178 B13R2.98 C[C@@]1([C@@H](O1)c2ccccc2)CO TS11879 [0,1,0,1,0,0|1,0,0]=3 1179 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [0,1,0,1,0,0|1,0,1]=4 1180 B13R2.435 CC(c1[nH]c2ccccc2n1)O TS11568 [0,1,0,1,0,0|1,0,1]=4 1181 B13R2.435 CC(c1cc2ccccc2s1)O TS47599 [0,1,0,1,0,0|0,0,2]=4 1182 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O TS42457 [0,1,0,1,0,0|1,0,1]=4 1183 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O TS46628 [0,1,0,1,0,0|1,0,1]=4 1184 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O TS00574 [0,1,0,1,0,0|1,0,1]=4 1185 B13R2.3201 CC1(CC1(Cl)Cl)c2ccccc2 TS19159 [0,1,0,1,0,0|2,0,0]=4 1186 B13R2.12159 CC1(CC(=O)c2c1cccc2)C TS65729 [0,1,0,1,0,0|1,0,1]=4 1187 B13R2.12159 CC1(CC(c2c1cccc2)O)C TS11585 [0,1,0,1,0,0|1,0,0]=3 1188 B13R2.222 CC1(CCc2ccccc2N1)C TS94352 [0,1,0,1,0,0|1,0,0]=3 1189 B13R2.3587 Cc1ccccc1OCC2CO2 TS42732 [0,1,0,1,0,0|1,0,0]=3 1190 B13R2.3587 c1ccc(c(c1)NCC2CC2)Cl TS22342 [0,1,0,1,0,0|2,0,0]=4 1191 B13R2.3587 c1ccc(c(c1)OC[C@@H]2CO2)Cl TS48669 [0,1,0,1,0,0|1,0,0]=3 1192 B13R2.3587 c1ccc(c(c1)OC[C@@H]2CO2)F TS44851 [0,1,0,1,0,0|1,0,0]=3 1193 B13R2.3587 c1ccc(c(c1)OC[C@H]2CO2)Cl TS15390 [0,1,0,1,0,0|1,0,0]=3 1194 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 TS23955 [0,1,0,1,0,0|0,0,2]=4 1195 B13R2.5179 c1cc2c(c(c1)Br)OCC(C2)N TS30088 [0,1,0,1,0,0|2,0,0]=4 1196 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 TS08703 [0,1,0,1,0,0|0,0,2]=4 1197 B13R2.5179 c1cc2c(c(c1)Cl)OCC(C2)N TS22699 [0,1,0,1,0,0|2,0,0]=4 1198 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 TS42716 [0,1,0,1,0,0|0,0,2]=4 1199 B13R2.5179 c1cc2c(c(c1)F)CCC(C2)N TS38175 [0,1,0,1,0,0|1,0,0]=3 1200 B13R2.5179 c1cc2c(c(c1)F)OCC(C2)N TS19656 [0,1,0,1,0,0|2,0,0]=4 1201 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 TS39777 [0,1,0,1,0,0|0,0,2]=4 1202 B13R2.151 c1cc(cc(c1)Br)C2CC(=O)C2 TS23953 [0,1,0,1,0,0|0,0,2]=4 1203 B13R2.162 CC1CCc2cccc(c2N1)O TS18915 [0,1,0,1,0,0|1,0,0]=3 1204 B13R2.162 CC1CNc2cccc(c2O1)N TS42778 [0,1,0,1,0,0|1,0,0]=3 1205 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 TS23950 [0,1,0,1,0,0|0,0,2]=4 1206 B13R2.162 c1cc2c(c(c1)Br)C[C@@H](CC2)N TS08919 [0,1,0,1,0,0|1,0,0]=3 1207 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 TS48000 [0,1,0,1,0,0|0,0,2]=4 1208 B13R2.162 c1cc2c(c(c1)Cl)CC(CC2)N TS22340 [0,1,0,1,0,0|1,0,0]=3 1209 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 TS42717 [0,1,0,1,0,0|0,0,2]=4 1210 B13R2.162 c1cc2c(c(c1)O)CC(=O)CC2 TS42449 [0,1,0,1,0,0|0,0,2]=4 1211 B13R2.3683 CC1CCc2cc(ccc2N1)F TS42909 [0,1,0,1,0,0|1,0,0]=3 1212 B13R2.3683 Cc1ccc2c(c1)CCC(=O)C2 TS42191 [0,1,0,1,0,0|0,0,2]=4 1213 B13R2.3683 Cc1ccc2c(c1)CCC(C2)C TS42209 [0,1,0,1,0,0|1,0,0]=3 1214 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 TS22922 [0,1,0,1,0,0|0,0,2]=4 1215 B13R2.3683 c1cc2c(cc1Br)CCC(C2)N TS24124 [0,1,0,1,0,0|1,0,0]=3 1216 B13R2.3683 c1cc2c(cc1Br)CC[C@@H](C2)N TS24120 [0,1,0,1,0,0|1,0,0]=3 1217 B13R2.3683 c1cc2c(cc1Br)CC[C@H](C2)N TS24122 [0,1,0,1,0,0|1,0,0]=3 1218 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 TS32668 [0,1,0,1,0,0|0,0,2]=4 1219 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS22338 [0,1,0,1,0,0|1,0,0]=3 1220 B13R2.3683 c1cc2c(cc1Cl)CCC(C2)N TS48169 [0,1,0,1,0,0|1,0,0]=3 1221 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 TS42715 [0,1,0,1,0,0|0,0,2]=4 1222 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS12048 [0,1,0,1,0,0|1,0,0]=3 1223 B13R2.3683 c1cc2c(cc1F)CCC(C2)N TS38172 [0,1,0,1,0,0|1,0,0]=3 1224 B13R2.3683 c1cc2c(cc1F)CCC(C2)O TS43083 [0,1,0,1,0,0|0,0,0]=2 1225 B13R2.3683 c1cc2c(cc1F)CC[C@@H](C2)N TS38176 [0,1,0,1,0,0|1,0,0]=3 1226 B13R2.3683 c1cc2c(cc1I)CCC(=O)C2 TS33321 [0,1,0,1,0,0|0,0,2]=4 1227 B13R2.5331 Cc1cccc(c1)OCC2CO2 TS42752 [0,1,0,1,0,0|1,0,0]=3 1228 B13R2.5331 c1cc(cc(c1)Cl)OC[C@@H]2CO2 TS59567 [0,1,0,1,0,0|1,0,0]=3 1229 B13R2.5331 c1cc(cc(c1)Cl)OC[C@H]2CO2 TS59564 [0,1,0,1,0,0|1,0,0]=3 1230 B13R2.5331 c1cc(cc(c1)F)OC[C@@H]2CO2 TS12506 [0,1,0,1,0,0|1,0,0]=3 1231 B13R3.28 c1ccc2c(c1)CCC3C2O3 TS07234 [0,0,0,2,0,0|0,0,0]=2 1232 B9R1.12 CCCCc1[nH]ccn1 TS36021 [1,0,0,0,1,0|2,0,0]=4 1233 B9R1.12 CCCCc1ccco1 TS35998 [1,0,0,0,1,0|1,0,0]=3 1234 B9R1.12 CCCCc1cccs1 TS37432 [1,0,0,0,1,0|1,0,0]=3 1235 B9R1.12 CCCCc1ccsc1 TS37433 [1,0,0,0,1,0|1,0,0]=3 1236 B9R1.12 CCCCn1ccnc1 TS00425 [1,0,0,0,1,0|2,0,0]=4 1237 B9R1.12 CCSCc1ccco1 TS37624 [1,0,0,0,1,0|2,0,0]=4 1238 B9R1.12 CNCCc1cccs1 TS06619 [1,0,0,0,1,0|2,0,0]=4 1239 B9R1.12 c1ccn(c1)CCCBr TS39573 [1,0,0,0,1,0|2,0,0]=4 1240 B9R1.12 c1ccn(c1)CCCO TS08736 [1,0,0,0,1,0|1,0,0]=3 1241 B9R1.12 c1cn(cn1)CCCO TS05170 [1,0,0,0,1,0|2,0,0]=4 1242 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,0,0,0,2,0|2,0,0]=4 1243 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,0,0,2,0|1,0,1]=4 1244 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,0,0,2,0|0,0,2]=4 1245 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,0,0,2,0|0,0,2]=4 1246 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,0,0,2,0|0,0,2]=4 1247 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,0,0,2,0|0,0,2]=4 1248 B9R1.6 CC(C)c1ccccn1 TS32479 [0,0,0,0,2,0|2,0,0]=4 1249 B9R1.6 CC(C)c1ccccn1 TS49188 [0,0,0,0,2,0|2,0,0]=4 1250 B9R1.6 CC(C)c1ccncc1 TS09132 [0,0,0,0,2,0|2,0,0]=4 1251 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,0,0,2,0|1,0,0]=3 1252 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,0,0,2,0|1,0,0]=3 1253 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,0,0,2,0|0,0,0]=2 1254 B9R1.6 CC(c1ccccn1)N TS47025 [0,0,0,0,2,0|2,0,0]=4 1255 B9R1.6 CC(c1ccccn1)N TS59503 [0,0,0,0,2,0|2,0,0]=4 1256 B9R1.6 CC(c1ccccn1)O TS08930 [0,0,0,0,2,0|1,0,0]=3 1257 B9R1.6 CC(c1cccnc1)N TS59573 [0,0,0,0,2,0|2,0,0]=4 1258 B9R1.6 CC(c1ccncc1)N TS51965 [0,0,0,0,2,0|2,0,0]=4 1259 B9R1.6 CC(c1ccncc1)N TS59574 [0,0,0,0,2,0|2,0,0]=4 1260 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,0,0,2,0|2,0,0]=4 1261 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,0,0,2,0|2,0,0]=4 1262 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,0,0,2,0|2,0,0]=4 1263 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,0,0,2,0|2,0,0]=4 1264 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,0,0,2,0|1,0,0]=3 1265 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,0,0,2,0|0,0,0]=2 1266 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,0,0,0,2,0|1,0,0]=3 1267 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,0,0,2,0|1,0,0]=3 1268 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,0,0,0,2,0|1,0,0]=3 1269 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,0,0,2,0|1,0,0]=3 1270 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,0,0,2,0|1,0,0]=3 1271 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,0,0,2,0|0,0,0]=2 1272 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,0,0,0,2,0|1,0,0]=3 1273 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,0,0,2,0|1,0,0]=3 1274 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,0,0,0,2,0|1,0,0]=3 1275 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,0,0,2,0|1,1,0]=4 1276 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,0,0,0,2,0|1,0,1]=4 1277 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,0,0,0,2,0|1,0,1]=4 1278 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,0,0,0,2,0|1,0,1]=4 1279 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,0,0,0,2,0|1,0,1]=4 1280 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,0,0,0,2,0|1,0,1]=4 1281 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,0,0,0,2,0|1,0,1]=4 1282 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,0,0,0,2,0|2,0,0]=4 1283 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,0,0,0,2,0|2,0,0]=4 1284 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,0,0,0,2,0|2,0,0]=4 1285 B9R1.13 CC(Cc1cccs1)O TS37625 [0,0,0,0,2,0|1,0,0]=3 1286 B9R1.13 CC(Cn1ccnc1)O TS05171 [0,0,0,0,2,0|2,0,0]=4 1287 B13R1.337 CC(=O)CCOCc1ccccc1 TS14240 [0,0,0,0,0,2|0,0,2]=4 1288 B13R1.337 CC(=O)OCCOc1ccccc1 TS14598 [0,0,0,0,0,2|0,0,2]=4 1289 B13R1.337 CC(C)CCOCc1ccccc1 TS14277 [0,0,0,0,0,2|1,0,0]=3 1290 B13R1.337 CN(C)CCNCc1ccccc1 TS47620 [0,0,0,0,0,2|2,0,0]=4 1291 B13R1.337 c1ccc(cc1)CCCCC(=O)O TS14224 [0,0,0,0,0,2|1,0,1]=4 1292 B13R1.337 c1ccc(cc1)CNCCC(=O)O TS14414 [0,0,0,0,0,2|1,0,1]=4 1293 B13R1.337 c1ccc(cc1)CSCCC(=O)O TS18300 [0,0,0,0,0,2|1,0,1]=4 1294 B13R1.337 c1ccc(cc1)OCCCC(=O)O TS47894 [0,0,0,0,0,2|1,0,1]=4