0 B12R1.121 COc1ccccc1C=CC=O TS42444 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.121 COc1ccccc1C=CCO TS42754 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.121 COc1ccccc1CCCN TS42943 [0,0,0,0,0,0|1,0,3]=4 3 B12R1.121 COc1ccccc1CCCO TS43116 [0,0,0,0,0,0|0,0,4]=4 4 B12R1.121 COc1ccccc1CN=C=O TS11703 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.121 COc1ccccc1OCC#N TS42564 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.121 COc1ccccc1OCC=C TS11850 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.121 COc1ccccc1OCCBr TS25021 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.121 COc1ccccc1OCCCl TS49005 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.17 C=CCOc1ccccc1O TS09860 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.17 Cc1ccccc1CN=C=O TS07341 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.17 c1ccc(c(c1)C=CC=O)Br TS21065 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.17 c1ccc(c(c1)C=CC=O)O TS07424 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.41 C=CCc1ccccc1CO TS07463 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.41 CCOc1ccccc1OC TS41144 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.41 CCc1ccccc1N=C=O TS07346 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.41 CNCc1ccccc1OC TS10080 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.41 COc1ccccc1C=NO TS41005 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.41 COc1ccccc1CC#N TS07347 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.41 COc1ccccc1CC=C TS07469 [1,0,0,0,0,0|0,0,1]=2 21 B11R1.41 COc1ccccc1CCN TS41034 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.41 COc1ccccc1CCO TS10185 [1,0,0,0,0,0|0,0,3]=4 23 B11R1.41 COc1ccccc1CNN TS52128 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.41 COc1ccccc1CNN TS91568 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.41 COc1ccccc1CO[NH3+] TS16256 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.41 COc1ccccc1N=C=O TS40721 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.41 COc1ccccc1N=C=S TS42928 [1,0,0,0,0,0|1,1,1]=4 28 B11R1.41 CSc1ccccc1N=C=O TS42918 [1,0,0,0,0,0|1,1,1]=4 29 B13R1.90 COc1ccccc1C=CC(=O)Cl TS53772 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.90 COc1ccccc1C=CC(=O)O TS47501 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.90 COc1ccccc1C=C[N+](=O)[O-] TS47699 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.90 COc1ccccc1CCC(=O)O TS47908 [0,1,0,0,0,0|0,0,2]=3 33 B13R1.90 COc1ccccc1OCC(=O)N TS48086 [0,1,0,0,0,0|1,0,1]=3 34 B13R1.90 COc1ccccc1OCC(=O)O TS14926 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.90 c1ccc(c(c1)C=CC(=O)O)C=O TS60291 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.91 COc1ccccc1CC(=O)OC TS14583 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.91 COc1ccccc1NC(=O)CCl TS18886 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.91 COc1ccccc1NC(=S)NN TS18483 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.464 CCOC(=O)c1ccccc1OC TS47899 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.464 COc1ccccc1C(=O)CC#N TS13683 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.572 c1ccc(c(c1)C=CC=O)[N+](=O)[O-] TS46242 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.32 CC1c2ccccc2CCC1=O TS42189 [0,0,0,1,0,0|1,0,2]=4 43 B13R2.32 CN1c2ccccc2OCC1=O TS42566 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.32 Cc1c(ccc2c1nccc2)Cl TS14110 [0,0,0,1,0,0|3,0,0]=4 45 B13R2.32 Cc1c2ccccc2ccc1O TS10990 [0,0,0,1,0,0|1,0,1]=3 46 B13R2.32 Cc1c2ccccc2ncc1N TS65074 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.32 Cc1ccc2ccccc2c1Br TS49911 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.32 Cc1ccc2ccccc2c1C TS10742 [0,0,0,1,0,0|2,0,0]=3 49 B13R2.32 Cc1ccc2ccccc2c1N TS17754 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.32 Cc1ccc2ccccc2c1N TS41806 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.32 Cc1ccc2ccccc2c1O TS55445 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.32 Cn1c2ccccc2ccc1=O TS46987 [0,0,0,1,0,0|1,0,0]=2 53 B13R2.32 c1ccc2c(c1)C=CC(=O)C2=O TS41864 [0,0,0,1,0,0|2,0,0]=3 54 B13R2.32 c1ccc2c(c1)ccc(c2Br)O TS39656 [0,0,0,1,0,0|2,0,1]=4 55 B13R2.32 c1ccc2c(c1)ccc(c2I)O TS30742 [0,0,0,1,0,0|2,0,1]=4 56 B13R2.32 c1ccc2c(c1)ccc(c2N)N TS41934 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.32 c1ccc2c(c1)ccc(c2O)Br TS23598 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.32 c1ccc2c(c1)ccc(c2O)F TS42429 [0,0,0,1,0,0|3,0,0]=4 59 B13R2.32 c1ccc2c(c1)ccc(c2O)N TS53566 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.32 c1ccc2c(c1)ccc(c2O)O TS42142 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.33 c1ccc2c(c1)CNC(=O)CN2 TS11566 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.45 Cc1c2ccccc2[nH]c1C=O TS11133 [0,0,0,1,0,0|2,0,0]=3 63 B13R2.45 Cc1c2ccccc2sc1C=O TS13881 [0,0,0,1,0,0|2,0,0]=3 64 B13R2.45 Cn1c2ccccc2cc1CO TS11404 [0,0,0,1,0,0|1,0,2]=4 65 B13R2.45 c1ccc2c(c1)c(c(s2)C=O)Br TS57503 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.57 C=Cc1ccc2ccccc2c1 TS10454 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.57 c1cc2cc(ccc2nc1)C=O TS41761 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.57 c1cc2ccc(cc2nc1)C=O TS16521 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N TS10853 [0,0,0,1,0,0|1,0,1]=3 70 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O TS07721 [0,0,0,1,0,0|0,0,0]=1 71 B13R2.57 c1ccc2c(c1)C=C(CO2)CO TS11537 [0,0,0,1,0,0|0,0,2]=3 72 B13R2.57 c1ccc2c(c1)CCN(C2)C=O TS11407 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.57 c1ccc2c(c1)OCC(O2)C=O TS11818 [0,0,0,1,0,0|1,0,1]=3 74 B13R2.57 c1ccc2c(c1)cc(cn2)C=O TS01678 [0,0,0,1,0,0|1,0,1]=3 75 B13R2.57 c1ccc2c(c1)ccc(n2)C=O TS01677 [0,0,0,1,0,0|2,0,1]=4 76 B13R2.57 c1ccc2c(c1)ncc(n2)C=O TS41876 [0,0,0,1,0,0|2,0,1]=4 77 B13R2.57 c1ccc2cc(ccc2c1)C=O TS10684 [0,0,0,1,0,0|1,0,1]=3 78 B13R2.57 c1ccc2cnc(cc2c1)C=O TS70641 [0,0,0,1,0,0|2,0,0]=3 79 B13R2.573 COc1cccc2c1CCC2=O TS03146 [0,0,0,1,0,0|0,0,2]=3 80 B13R2.573 COc1cccc2c1COC2=O TS11819 [0,0,0,1,0,0|1,0,1]=3 81 B13R2.573 COc1cccc2c1OCC2=O TS11816 [0,0,0,1,0,0|1,0,1]=3 82 B13R2.573 Cn1ccc2c1cccc2OC TS42321 [0,0,0,1,0,0|2,0,0]=3 83 B13R2.1613 C#Cc1cccc2c1cccn2 TS00299 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.1613 C=Cc1cccc2c1cccc2 TS10456 [0,0,0,1,0,0|2,0,1]=4 85 B13R2.1613 CC[n+]1cccc2c1cccc2 TS34811 [0,0,0,1,0,0|3,0,0]=4 86 B13R2.1613 CCc1cccc2c1cccc2 TS41665 [0,0,0,1,0,0|2,0,0]=3 87 B13R2.1613 CCc1cccc2c1nccc2 TS10879 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.1613 CNc1cccc2c1cccc2 TS17753 [0,0,0,1,0,0|2,0,0]=3 89 B13R2.1613 CNc1cccc2c1cccc2 TS56412 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.1613 COc1cccc2c1CCC=C2 TS42196 [0,0,0,1,0,0|1,0,2]=4 91 B13R2.1613 COc1cccc2c1cccc2 TS10988 [0,0,0,1,0,0|1,0,0]=2 92 B13R2.1613 COc1cccc2c1cncc2 TS33015 [0,0,0,1,0,0|2,0,0]=3 93 B13R2.1613 COc1cccc2c1nccc2 TS11145 [0,0,0,1,0,0|2,0,0]=3 94 B13R2.1613 COc1ccnc2c1cccc2 TS42047 [0,0,0,1,0,0|2,0,0]=3 95 B13R2.1613 c1cc(c2cccnc2c1)C#N TS10433 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.1613 c1cc(c2cccnc2c1)C=O TS59381 [0,0,0,1,0,0|3,0,0]=4 97 B13R2.1613 c1cc(c2cccnc2c1)CN TS08209 [0,0,0,1,0,0|3,0,0]=4 98 B13R2.1613 c1cc(c2cccnc2c1)CO TS11146 [0,0,0,1,0,0|3,0,0]=4 99 B13R2.1613 c1ccc2c(c1)cccc2C#N TS46938 [0,0,0,1,0,0|3,0,0]=4 100 B13R2.1613 c1ccc2c(c1)cccc2C=O TS39908 [0,0,0,1,0,0|3,0,0]=4 101 B13R2.1613 c1ccc2c(c1)cccc2CBr TS00420 [0,0,0,1,0,0|3,0,0]=4 102 B13R2.1613 c1ccc2c(c1)cccc2CCl TS46198 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.1613 c1ccc2c(c1)cccc2CN TS41804 [0,0,0,1,0,0|3,0,0]=4 104 B13R2.1613 c1ccc2c(c1)cccc2CO TS10993 [0,0,0,1,0,0|3,0,0]=4 105 B13R2.1613 c1ccc2c(c1)cccc2NN TS17974 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.1613 c1ccc2c(c1)cccc2[Mg]Br TS25106 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.4 C=CCc1ccccc1Cl TS41221 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.4 C=CCc1ccccc1O TS36846 [2,0,0,0,0,0|0,0,1]=3 109 B10R1.4 CC=Cc1ccccc1O TS36834 [2,0,0,0,0,0|0,0,1]=3 110 B10R1.4 Cc1ccccc1CC=C TS05766 [2,0,0,0,0,0|0,0,1]=3 111 B10R1.4 Cc1ccccc1N=C=O TS16709 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.4 Cc1ccccc1NC=O TS36923 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.17 C=CC=Cc1ccccc1 TS36510 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.17 CC=CCc1ccccc1 TS36709 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.17 CCC=Cc1ccccc1 TS36700 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.17 COC=Cc1ccccc1 TS36842 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [2,0,0,0,0,0|0,0,2]=4 123 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [2,0,0,0,0,0|0,0,0]=2 125 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.17 c1ccc(cc1)C=CCO TS36831 [2,0,0,0,0,0|0,0,2]=4 128 B10R1.17 c1ccc(cc1)CCC=O TS01796 [2,0,0,0,0,0|0,0,2]=4 129 B10R1.17 c1ccc(cc1)CNC=O TS36937 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.17 c1ccc(cc1)COC=O TS36984 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.17 c1ccc(cc1)NNC=O TS06048 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.17 c1ccc(cc1)OCC=O TS36991 [2,0,0,0,0,0|1,0,1]=4 133 B10R1.20 C#Cc1ccccc1C=O TS36474 [2,0,0,0,0,0|1,0,1]=4 134 B10R1.20 C=Cc1ccccc1C=C TS36515 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.20 CCc1ccccc1C=O TS36837 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.20 CCc1ccccc1OC TS06091 [2,0,0,0,0,0|0,0,2]=4 137 B10R1.20 CNc1c(cccn1)C=O TS06056 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.20 CNc1ccccc1OC TS06193 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.20 COc1c(cccn1)C=O TS55430 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.20 COc1ccccc1C#C TS55428 [2,0,0,0,0,0|0,0,2]=4 141 B10R1.20 COc1ccccc1C#N TS02018 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.20 COc1ccccc1C=C TS36839 [2,0,0,0,0,0|0,0,0]=2 143 B10R1.20 COc1ccccc1C=O TS00088 [2,0,0,0,0,0|0,0,0]=2 144 B10R1.20 COc1ccccc1CBr TS46746 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.20 COc1ccccc1CCl TS01104 [2,0,0,0,0,0|1,0,1]=4 146 B10R1.20 COc1ccccc1CN TS01103 [2,0,0,0,0,0|1,0,1]=4 147 B10R1.20 COc1ccccc1CO TS06248 [2,0,0,0,0,0|0,0,2]=4 148 B10R1.20 COc1ccccc1NN TS46513 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.20 COc1ccccc1OC TS07876 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.20 COc1ccccc1SC TS55437 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.20 COc1ccccc1[Mg]Br TS44048 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.20 COc1cccnc1C=O TS06166 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.20 COc1ccncc1C=O TS09135 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.20 COc1cnccc1C=O TS06158 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.20 c1ccc(c(c1)C=O)C#N TS55300 [2,0,0,0,0,0|2,0,0]=4 156 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [2,0,0,0,0,0|2,0,0]=4 158 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.125 Cc1ccccc1C=CC(=O)Cl TS14696 [1,1,0,0,0,0|0,0,0]=2 160 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [1,1,0,0,0,0|0,0,0]=2 161 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [1,1,0,0,0,0|0,0,2]=4 162 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.125 c1ccc(c(c1)C=CC(=O)Cl)Cl TS38031 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [1,1,0,0,0,0|0,0,0]=2 167 B12R1.125 c1ccc(c(c1)C=CN(=O)=O)Cl TS15189 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.125 c1ccc(c(c1)C=C[N+](=O)[O-])F TS43185 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [1,1,0,0,0,0|0,0,2]=4 170 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [1,1,0,0,0,0|0,0,2]=4 171 B12R1.125 c1ccc(c(c1)O)OCC(=O)O TS44831 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.1631 c1cc(c(c(c1)F)C=CC=O)F TS12475 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.75 CC(=O)Cc1ccccc1OC TS11859 [1,1,0,0,0,0|0,0,1]=3 174 B12R1.75 CC(=O)Oc1ccccc1OC TS12204 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.75 CCc1ccccc1OC(=O)C TS11875 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.75 COc1ccccc1CC(=O)N TS12009 [1,1,0,0,0,0|0,0,1]=3 177 B12R1.75 COc1ccccc1CC(=O)O TS02019 [1,1,0,0,0,0|0,0,1]=3 178 B12R1.75 COc1ccccc1NC(=N)N TS12041 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.75 COc1ccccc1NC(=N)N TS19288 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.75 COc1ccccc1OC(=O)O TS74445 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.77 COc1ccccc1C(=O)C#N TS11376 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.77 COc1ccccc1C(=O)C=O TS14923 [1,1,0,0,0,0|0,0,0]=2 183 B12R1.77 COc1ccccc1C(=O)CBr TS52784 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.77 COc1ccccc1C(=O)CO TS43048 [1,1,0,0,0,0|0,0,2]=4 185 B12R1.77 COc1ccccc1C(=O)NN TS12207 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.77 COc1ccccc1C(=O)OC TS12172 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.169 CCOc1ccccc1N=C=O TS42569 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.268 COc1ccc(cc1N=C=O)Cl TS15190 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.268 Cc1ccc(c(c1)N=C=O)OC TS42568 [1,1,0,0,0,0|1,0,1]=4 190 B14R1.1600 COc1cc(ccc1C=CC(=O)O)F TS53628 [0,2,0,0,0,0|0,0,0]=2 191 B14R1.96 COc1ccccc1CCNC(=O)N TS17883 [0,2,0,0,0,0|0,0,2]=4 192 B14R1.482 CCOc1ccccc1C=CC(=O)O TS51465 [0,2,0,0,0,0|0,0,0]=2 193 B14R1.840 COc1ccccc1C(CC(=O)O)N TS52015 [0,2,0,0,0,0|0,0,2]=4 194 B14R1.840 COc1ccccc1[C@@H](CC(=O)O)N TS18050 [0,2,0,0,0,0|0,0,2]=4 195 B14R1.840 COc1ccccc1[C@H](CC(=O)O)N TS18055 [0,2,0,0,0,0|0,0,2]=4 196 B14R1.1865 COc1ccc(cc1C=CC(=O)O)Br TS67945 [0,2,0,0,0,0|0,0,0]=2 197 B14R1.1865 COc1ccc(cc1C=CC(=O)O)F TS18206 [0,2,0,0,0,0|0,0,0]=2 198 B14R1.1865 COc1ccc(cc1C=CN(=O)=O)Br TS29146 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.3135 CC(=Cc1ccccc1OC)[N+](=O)[O-] TS51634 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.3135 COc1ccccc1CC(C(=O)O)N TS18048 [0,2,0,0,0,0|0,0,2]=4 201 B14R1.3135 COc1ccccc1C[C@@H](C(=O)O)N TS52023 [0,2,0,0,0,0|0,0,2]=4 202 B14R1.4522 c1ccc(c(c1)C=CC(=O)O)C(=O)O TS51416 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.4522 c1ccc(c(c1)C=CC(=O)O)[N+](=O)[O-] TS17621 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.435 COC(=O)c1cccc(c1)C=O TS56273 [0,0,1,1,0,0|1,0,0]=3 205 B12R1.435 COC(=O)c1cccc(n1)C=O TS11989 [0,0,1,1,0,0|2,0,0]=4 206 B12R1.450 Cc1cc(c(cc1OC)C)C=O TS11896 [0,0,1,1,0,0|0,0,2]=4 207 B12R1.78 COc1ccc(c(c1)C#N)C=O TS02150 [0,0,1,1,0,0|1,0,1]=4 208 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [0,0,1,1,0,0|1,0,1]=4 209 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [1,0,0,1,0,0|1,0,1]=4 210 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [1,0,0,1,0,0|2,0,0]=4 211 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [1,0,0,1,0,0|2,0,0]=4 212 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.24 c1cc(=O)[nH]c2c1cncc2 TS01996 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.24 c1cc-2ccc(=O)nc2[nH]c1 TS07188 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [1,0,0,1,0,0|1,0,1]=4 216 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [1,0,0,1,0,0|1,0,1]=4 217 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [1,0,0,1,0,0|1,0,1]=4 219 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [1,0,0,1,0,0|0,0,2]=4 220 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [1,0,0,1,0,0|0,0,2]=4 221 B12R2.24 c1ccc2c(c1)OC=C(O2)Br TS44287 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [1,0,0,1,0,0|0,0,0]=2 223 B12R2.24 c1ccc2c(c1)ccc(n2)Br TS00867 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.24 c1ccc2c(c1)ccc(n2)Cl TS00965 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.24 c1ccc2c(c1)ccc(n2)I TS28720 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.24 c1ccc2c(c1)ccc(n2)N TS55047 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.24 c1ccc2c(c1)ccc(n2)O TS07083 [1,0,0,1,0,0|1,0,1]=4 228 B12R2.24 c1ccc2c(c1)ccc(n2)O TS94826 [1,0,0,1,0,0|1,0,1]=4 229 B12R2.24 c1ccc2c(c1)ccc(n2)S TS11438 [1,0,0,1,0,0|1,1,0]=4 230 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [1,0,0,1,0,0|1,0,1]=4 231 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [1,0,0,1,0,0|1,0,1]=4 232 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [1,0,0,1,0,0|1,0,1]=4 233 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [1,0,0,1,0,0|1,0,1]=4 234 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [1,0,0,1,0,0|1,0,1]=4 235 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [1,0,0,1,0,0|0,0,2]=4 236 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [1,0,0,1,0,0|0,1,1]=4 237 B12R2.24 c1ccc2cn(=O)ccc2c1 TS56198 [1,0,0,1,0,0|1,0,1]=4 238 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [1,0,0,1,0,0|1,0,1]=4 239 B12R2.32 CCc1cc2ccccc2o1 TS07223 [1,0,0,1,0,0|1,0,1]=4 240 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 TS46961 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.32 c1cc2cc([nH]c2nc1)C=O TS07190 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O TS46946 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [1,0,0,1,0,0|1,0,0]=3 244 B12R2.32 c1ccc2c(c1)cc(o2)C#N TS00399 [1,0,0,1,0,0|1,0,1]=4 245 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [1,0,0,1,0,0|0,0,0]=2 246 B12R2.32 c1ccc2c(c1)cc(o2)CO TS07422 [1,0,0,1,0,0|0,0,2]=4 247 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [1,0,0,1,0,0|0,1,0]=3 248 B12R2.32 c1ccc2c(c1)nc(o2)C=O TS07300 [1,0,0,1,0,0|1,0,0]=3 249 B12R2.32 c1ccc2c(c1)nc(s2)C=O TS00363 [1,0,0,1,0,0|1,1,0]=4 250 B12R2.32 c1ccn2c(c1)cc(n2)C=O TS40399 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.32 c1ccn2cc(nc2c1)C=O TS56185 [1,0,0,1,0,0|2,0,0]=4 252 B12R2.32 c1cncc2c1[nH]c(c2)C=O TS07191 [1,0,0,1,0,0|2,0,0]=4 253 B12R2.32 c1cncc2c1cc([nH]2)C=O TS40400 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.41 c1ccc2c(c1)CCCC=C2 TS06996 [1,0,0,1,0,0|1,0,1]=4 255 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [1,0,0,1,0,0|0,0,2]=4 256 B12R2.196 Cc1cccc2c1[nH]cc2Br TS20830 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.196 c1cc2c(c(c1)O)CCC2=O TS71172 [1,0,0,1,0,0|0,0,2]=4 258 B12R2.1081 C[n+]1cccc2c1cccc2 TS28781 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.1081 Cc1c2ccccc2ccn1 TS00053 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.1081 Cc1cccc2c1cccc2 TS00494 [1,0,0,1,0,0|1,0,0]=3 261 B12R2.1081 Cc1cccc2c1cncc2 TS06873 [1,0,0,1,0,0|2,0,0]=4 262 B12R2.1081 Cc1cccc2c1nccc2 TS55712 [1,0,0,1,0,0|2,0,0]=4 263 B12R2.1081 Cc1cccc2c1nccn2 TS40181 [1,0,0,1,0,0|2,0,0]=4 264 B12R2.1081 Cc1ccnc2c1cccc2 TS01522 [1,0,0,1,0,0|2,0,0]=4 265 B12R2.1081 Cc1ccnc2c1cccc2 TS64278 [1,0,0,1,0,0|2,0,0]=4 266 B12R2.1081 Cc1ccnc2c1cccn2 TS40193 [1,0,0,1,0,0|2,0,0]=4 267 B12R2.1081 Cc1cncc2c1cccc2 TS06874 [1,0,0,1,0,0|2,0,0]=4 268 B12R2.1081 c1cc(c2cccnc2c1)N TS71389 [1,0,0,1,0,0|2,0,0]=4 269 B12R2.1081 c1cc2c(c(c1)O)CC=CC2 TS07217 [1,0,0,1,0,0|1,0,1]=4 270 B12R2.1081 c1cc2c(c(c1)O)nccn2 TS03345 [1,0,0,1,0,0|2,0,0]=4 271 B12R2.1081 c1cc2c(cccn2)c(c1)Br TS09819 [1,0,0,1,0,0|2,0,0]=4 272 B12R2.1081 c1cc2c(cccn2)c(c1)Cl TS39771 [1,0,0,1,0,0|2,0,0]=4 273 B12R2.1081 c1cc2c(cccn2)c(c1)F TS07312 [1,0,0,1,0,0|2,0,0]=4 274 B12R2.1081 c1cc2c(cccn2)c(c1)O TS07092 [1,0,0,1,0,0|1,0,0]=3 275 B12R2.1081 c1cc2cccnc2c(c1)O TS27898 [1,0,0,1,0,0|2,0,0]=4 276 B12R2.1081 c1cc2cccnc2c(c1)O TS59629 [1,0,0,1,0,0|2,0,0]=4 277 B12R2.1081 c1cc2cccnc2c(c1)O TS81282 [1,0,0,1,0,0|2,0,0]=4 278 B12R2.1081 c1cc2cccnc2c(c1)O TS82566 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.1081 c1cc2ccncc2c(c1)O TS07090 [1,0,0,1,0,0|2,0,0]=4 280 B12R2.1081 c1cc2cnccc2c(c1)O TS07091 [1,0,0,1,0,0|2,0,0]=4 281 B12R2.1081 c1ccc2c(c1)c(ccn2)O TS93944 [1,0,0,1,0,0|2,0,0]=4 282 B12R2.1081 c1ccc2c(c1)cccc2Br TS20310 [1,0,0,1,0,0|2,0,0]=4 283 B12R2.1081 c1ccc2c(c1)cccc2Cl TS11631 [1,0,0,1,0,0|2,0,0]=4 284 B12R2.1081 c1ccc2c(c1)cccc2F TS60210 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.1081 c1ccc2c(c1)cccc2I TS63322 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.1081 c1ccc2c(c1)cccc2N TS39905 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.1081 c1ccc2c(c1)cccc2N TS47802 [1,0,0,1,0,0|2,0,0]=4 288 B12R2.1081 c1ccc2c(c1)cccc2O TS47010 [1,0,0,1,0,0|1,0,0]=3 289 B12R2.1081 c1ccc2c(c1)cccc2S TS11301 [1,0,0,1,0,0|1,1,0]=4 290 B12R2.1081 c1ccc2c(c1)cncc2O TS03125 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.1 c1ccc2c(c1)CCC2C=O TS07225 [1,0,0,1,0,0|1,0,1]=4 292 B12R2.1 c1ccc2c(c1)CCN2C=O TS07336 [1,0,0,1,0,0|2,0,0]=4 293 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O TS01491 [1,0,0,1,0,0|1,0,1]=4 294 B12R2.1 c1ccc2c(c1)c(cs2)C=O TS55754 [1,0,0,1,0,0|0,1,1]=4 295 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O TS07202 [1,0,0,1,0,0|2,0,0]=4 296 B12R2.18 CC1c2ccccc2NC1=O TS85089 [1,0,0,1,0,0|2,0,0]=4 297 B12R2.18 CN1c2ccccc2CC1=O TS40524 [1,0,0,1,0,0|1,0,1]=4 298 B12R2.18 Cc1cc2ccccc2n1C TS00349 [1,0,0,1,0,0|1,0,1]=4 299 B12R2.18 Cn1c2ccccc2cc1O TS07340 [1,0,0,1,0,0|1,0,1]=4 300 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [1,0,0,1,0,0|2,0,0]=4 301 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [1,0,0,1,0,0|2,0,0]=4 302 B12R2.315 CCc1cccc2c1[nH]cc2 TS07121 [1,0,0,1,0,0|2,0,0]=4 303 B12R2.315 CNc1cccc2c1[nH]cc2 TS40443 [1,0,0,1,0,0|2,0,0]=4 304 B12R2.315 COc1c2c(cc[nH]2)ccn1 TS07433 [1,0,0,1,0,0|2,0,0]=4 305 B12R2.315 COc1c2c(ccn1)cco2 TS90407 [1,0,0,1,0,0|2,0,0]=4 306 B12R2.315 COc1c2cc[nH]c2ccn1 TS40619 [1,0,0,1,0,0|2,0,0]=4 307 B12R2.315 COc1cccc2c1[nH]cc2 TS55687 [1,0,0,1,0,0|1,0,0]=3 308 B12R2.315 COc1cccc2c1[nH]nc2 TS39798 [1,0,0,1,0,0|2,0,0]=4 309 B12R2.315 COc1cccc2c1cc[nH]2 TS03147 [1,0,0,1,0,0|1,0,0]=3 310 B12R2.315 COc1cccc2c1occ2 TS07423 [1,0,0,1,0,0|1,0,0]=3 311 B12R2.315 COc1cccc2n1ccn2 TS40624 [1,0,0,1,0,0|2,0,0]=4 312 B12R2.315 COc1ccnc2c1[nH]cc2 TS07435 [1,0,0,1,0,0|2,0,0]=4 313 B12R2.315 COc1ccnc2c1cc[nH]2 TS71198 [1,0,0,1,0,0|2,0,0]=4 314 B12R2.315 COc1cncc2c1[nH]cc2 TS92506 [1,0,0,1,0,0|2,0,0]=4 315 B12R2.315 COc1cncc2c1cc[nH]2 TS88190 [1,0,0,1,0,0|2,0,0]=4 316 B14R2.1060 Cc1c2cc(ccc2[nH]c1C=O)Cl TS51715 [0,1,0,1,0,0|2,0,0]=4 317 B14R2.1146 COc1cc(=O)[nH]c2c1cccc2 TS13674 [0,1,0,1,0,0|2,0,0]=4 318 B14R2.1146 COc1cc(=O)oc2c1cccc2 TS46061 [0,1,0,1,0,0|2,0,0]=4 319 B14R2.1146 COc1cc(cc2c1cccc2)N TS64490 [0,1,0,1,0,0|1,0,0]=3 320 B14R2.1146 COc1cc(cc2c1cccc2)N TS71204 [0,1,0,1,0,0|1,0,0]=3 321 B14R2.1146 COc1cc(cc2c1cccc2)N TS84369 [0,1,0,1,0,0|1,0,0]=3 322 B14R2.2332 c1cc2cc(ccc2cc1C=O)O TS13139 [0,1,0,1,0,0|1,0,1]=4 323 B14R2.5634 Cc1ccc2c(c1)OCC(=O)CO2 TS64845 [0,1,0,1,0,0|1,0,1]=4 324 B14R2.92 c1ccc2c(c1)CCC(=C2Cl)C=O TS51565 [0,1,0,1,0,0|1,0,0]=3 325 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O TS45734 [0,1,0,1,0,0|0,0,1]=3 326 B14R2.92 c1ccc2c(c1)c(c(cn2)C=O)O TS13310 [0,1,0,1,0,0|1,0,1]=4 327 B14R2.92 c1ccc2c(c1)ccc(c2Br)C=O TS56610 [0,1,0,1,0,0|1,0,1]=4 328 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C=O TS17196 [0,1,0,1,0,0|1,0,1]=4 329 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O TS13140 [0,1,0,1,0,0|1,0,1]=4 330 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O TS13311 [0,1,0,1,0,0|2,0,0]=4 331 B14R2.1072 CCc1cccc2c1[nH]cc2C=O TS45640 [0,1,0,1,0,0|1,0,0]=3 332 B14R2.1072 COc1c2c(ccn1)c(c[nH]2)C=O TS13828 [0,1,0,1,0,0|1,0,0]=3 333 B14R2.1072 COc1cccc2c1[nH]cc2C=O TS13668 [0,1,0,1,0,0|0,0,0]=2 334 B14R2.1072 COc1ccnc2c1[nH]cc2C=O TS13804 [0,1,0,1,0,0|1,0,0]=3 335 B14R2.1072 c1cc(c2c(c1)c(c[nH]2)C=O)C#N TS45104 [0,1,0,1,0,0|2,0,0]=4 336 B14R2.1078 COc1cccc2c1CCCC2=O TS03357 [0,1,0,1,0,0|0,0,2]=4 337 B14R2.1078 COc1cccc2c1COCC2=O TS14180 [0,1,0,1,0,0|0,0,2]=4 338 B14R2.1078 COc1cccc2c1OCCC2=O TS47510 [0,1,0,1,0,0|0,0,2]=4 339 B14R2.1078 COc1cccc2c1nccc2Br TS26138 [0,1,0,1,0,0|1,0,0]=3 340 B14R2.1078 COc1cccc2c1nccc2Cl TS59612 [0,1,0,1,0,0|1,0,0]=3 341 B14R2.1078 COc1cccc2c1nccc2N TS13506 [0,1,0,1,0,0|1,0,0]=3 342 B14R2.1078 COc1cccc2c1nccc2O TS13686 [0,1,0,1,0,0|0,0,1]=3 343 B14R2.2 CC(=O)Oc1coc2c1cccc2 TS46052 [0,1,0,1,0,0|1,0,1]=4 344 B14R2.2 c1ccc2c(c1)c(co2)CC(=O)Cl TS17970 [0,1,0,1,0,0|0,0,2]=4 345 B14R2.2 c1ccc2c(c1)c(co2)CC(=O)O TS59678 [0,1,0,1,0,0|0,0,2]=4 346 B14R2.2 c1ccc2c(c1)c(no2)CC(=O)O TS13989 [0,1,0,1,0,0|1,0,1]=4 347 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O TS13486 [0,1,0,1,0,0|1,0,1]=4 348 B14R2.450 Cc1c2ccccc2[nH]c1C(=O)O TS13673 [0,1,0,1,0,0|2,0,0]=4 349 B14R2.450 Cc1c2ccccc2oc1C(=O)Cl TS17966 [0,1,0,1,0,0|2,0,0]=4 350 B14R2.450 Cc1c2ccccc2oc1C(=O)O TS02842 [0,1,0,1,0,0|2,0,0]=4 351 B14R2.450 Cc1c2ccccc2sc1C(=O)C TS51148 [0,1,0,1,0,0|2,0,0]=4 352 B14R2.450 Cc1c2ccccc2sc1C(=O)O TS17490 [0,1,0,1,0,0|2,0,0]=4 353 B14R2.450 Cn1c2ccccc2cc1C(=O)N TS45789 [0,1,0,1,0,0|1,0,0]=3 354 B14R2.450 Cn1c2ccccc2cc1C(=O)O TS00473 [0,1,0,1,0,0|1,0,0]=3 355 B14R2.450 Cn1c2ccccc2nc1C(=O)O TS08696 [0,1,0,1,0,0|2,0,0]=4 356 B14R2.781 CC(=O)C1COc2ccccc2O1 TS60191 [0,1,0,1,0,0|1,0,1]=4 357 B14R2.781 CC(=O)c1cc2ccccc2cn1 TS12999 [0,1,0,1,0,0|2,0,0]=4 358 B14R2.781 CC(=O)c1ccc2ccccc2c1 TS12814 [0,1,0,1,0,0|1,0,1]=4 359 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O TS46062 [0,1,0,1,0,0|0,0,0]=2 360 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)Cl TS53767 [0,1,0,1,0,0|0,0,2]=4 361 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O TS14170 [0,1,0,1,0,0|0,0,2]=4 362 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O TS07897 [0,1,0,1,0,0|1,0,1]=4 363 B14R2.781 c1ccc2c(c1)OC[C@@H](O2)C(=O)O TS00213 [0,1,0,1,0,0|1,0,1]=4 364 B14R2.781 c1ccc2c(c1)OC[C@H](O2)C(=O)O TS33127 [0,1,0,1,0,0|1,0,1]=4 365 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O TS13307 [0,1,0,1,0,0|1,0,1]=4 366 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl TS65615 [0,1,0,1,0,0|1,0,1]=4 367 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N TS45309 [0,1,0,1,0,0|1,0,1]=4 368 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O TS45446 [0,1,0,1,0,0|1,0,1]=4 369 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] TS51763 [0,1,0,1,0,0|1,0,1]=4 370 B14R2.1073 COc1cccc2c1CCC(=O)C2 TS03356 [0,1,0,1,0,0|0,0,2]=4 371 B14R2.1073 COc1cccc2c1OCC(=O)C2 TS47516 [0,1,0,1,0,0|1,0,1]=4 372 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [0,1,0,1,0,0|2,0,0]=4 373 B14R2.11645 CCc1cccc2c1NC(=O)C2=O TS45921 [0,1,0,1,0,0|2,0,0]=4 374 B14R2.11684 COc1cccc2c1nc(cc2)Cl TS51708 [0,1,0,1,0,0|2,0,0]=4 375 B14R2.11684 COc1cccc2c1oc(=O)cc2 TS46060 [0,1,0,1,0,0|2,0,0]=4 376 B14R2.11684 COc1ccnc2c1cc(cc2)Br TS26136 [0,1,0,1,0,0|2,0,0]=4 377 B14R2.11684 Cc1ccc2c(c1)c(ccn2)OC TS45630 [0,1,0,1,0,0|2,0,0]=4 378 B14R2.11684 Cc1ccc2cccc(c2n1)OC TS13360 [0,1,0,1,0,0|2,0,0]=4 379 B14R2.7150 CCCc1cccc2c1cccc2 TS12875 [0,1,0,1,0,0|2,0,0]=4 380 B14R2.7150 CCNc1cccc2c1cccc2 TS13039 [0,1,0,1,0,0|2,0,0]=4 381 B14R2.7150 CCNc1cccc2c1cccc2 TS20458 [0,1,0,1,0,0|2,0,0]=4 382 B14R2.7150 CCNc1cccc2c1cccc2 TS28296 [0,1,0,1,0,0|2,0,0]=4 383 B14R2.7150 CCOc1cccc2c1cccc2 TS45486 [0,1,0,1,0,0|1,0,0]=3 384 B14R2.7150 CCOc1cccc2c1nccc2 TS45647 [0,1,0,1,0,0|2,0,0]=4 385 B14R2.7150 CCOc1ccnc2c1cccc2 TS45641 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.7150 CNCc1cccc2c1cccc2 TS45347 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.7150 CNCc1cccc2c1cccc2 TS56411 [0,1,0,1,0,0|2,0,0]=4 388 B14R2.7150 c1cc(c2cccnc2c1)CCN TS13198 [0,1,0,1,0,0|2,0,0]=4 389 B14R2.7150 c1ccc2c(c1)cccc2CCBr TS25702 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.7150 c1ccc2c(c1)cccc2CCCl TS51213 [0,1,0,1,0,0|2,0,0]=4 391 B14R2.7150 c1ccc2c(c1)cccc2CCN TS45344 [0,1,0,1,0,0|2,0,0]=4 392 B14R2.7150 c1ccc2c(c1)cccc2CCO TS08152 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.7724 Cc1cc(c2ccccc2c1C)C TS12869 [0,1,0,1,0,0|2,0,0]=4 394 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O TS13984 [0,1,0,1,0,0|2,0,0]=4 395 B14R2.7724 Cn1c2ccccc2c(cc1=O)Cl TS51718 [0,1,0,1,0,0|1,0,0]=3 396 B14R2.7724 Cn1c2ccccc2c(cc1=O)O TS13667 [0,1,0,1,0,0|1,0,0]=3 397 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)Cl TS17578 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.7724 c1ccc2c(c1)C(=CC(=O)C2=O)N TS13315 [0,1,0,1,0,0|2,0,0]=4 399 B14R2.11635 COc1cccc2c1c(ccn2)Cl TS71043 [0,1,0,1,0,0|1,0,0]=3 400 B14R2.11635 COc1cccc2c1c(ccn2)O TS03123 [0,1,0,1,0,0|1,0,0]=3 401 B14R2.11635 COc1cccc2c1c(ncn2)N TS45963 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.203 CC[n+]1c(ccc2c1cccc2)C TS58881 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.203 Cc1ccc2ccccc2c1CCl TS51212 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.1128 Cc1c(nc2ccccc2n1)C=O TS13154 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [0,1,0,1,0,0|1,0,1]=4 406 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O TS17377 [0,1,0,1,0,0|1,0,1]=4 407 B14R2.134 c1cc2c(cc1Br)C=C(CO2)C#N TS56735 [0,1,0,1,0,0|1,0,1]=4 408 B14R2.134 c1cc2c(cc1Br)C=C(CO2)C=O TS57192 [0,1,0,1,0,0|0,0,0]=2 409 B14R2.134 c1cc2c(cc1Cl)C=C(CO2)C#N TS17378 [0,1,0,1,0,0|1,0,1]=4 410 B14R2.134 c1cc2c(cc1Cl)C=C(CO2)C=O TS17967 [0,1,0,1,0,0|0,0,0]=2 411 B14R2.134 c1cc2c(cc1O)C=C(CO2)C=O TS46054 [0,1,0,1,0,0|0,0,0]=2 412 B14R2.1131 COc1ccc(c2c1cccc2)Br TS00414 [0,1,0,1,0,0|1,0,0]=3 413 B14R2.1131 COc1ccc(c2c1cccc2)I TS34699 [0,1,0,1,0,0|1,0,0]=3 414 B14R2.1131 COc1ccc(c2c1cccc2)O TS13490 [0,1,0,1,0,0|1,0,0]=3 415 B14R2.1131 COc1ccc(c2c1cccn2)N TS13516 [0,1,0,1,0,0|1,0,0]=3 416 B14R2.1131 CSc1ccc(c2c1cccc2)F TS17528 [0,1,0,1,0,0|1,1,0]=4 417 B14R2.29369 Cc1ccc2c(c(ccc2c1)C)C TS12878 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.31359 CC(=O)c1cccc2c1cccc2 TS46832 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.31359 CC(C)c1cccc2c1cccc2 TS12866 [0,1,0,1,0,0|2,0,0]=4 420 B14R2.31359 CC(c1cccc2c1cccc2)N TS45348 [0,1,0,1,0,0|2,0,0]=4 421 B14R2.31359 CC(c1cccc2c1cccc2)O TS45475 [0,1,0,1,0,0|2,0,0]=4 422 B14R2.31359 CN(C)c1cccc2c1cccc2 TS13041 [0,1,0,1,0,0|2,0,0]=4 423 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N TS08093 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N TS20457 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.31359 C[C@@H](c1cccc2c1cccc2)O TS08094 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.31359 C[C@H](c1cccc2c1cccc2)N TS13040 [0,1,0,1,0,0|2,0,0]=4 427 B14R2.31359 C[C@H](c1cccc2c1cccc2)N TS20459 [0,1,0,1,0,0|2,0,0]=4 428 B14R2.31359 C[C@H](c1cccc2c1cccc2)O TS45491 [0,1,0,1,0,0|2,0,0]=4 429 B14R2.142 c1cc2c(c(c1)Br)C=C(CO2)C#N TS56736 [0,1,0,1,0,0|1,0,1]=4 430 B14R2.2151 Cn1c2cccc(c2nc1C=O)Br TS26307 [0,1,0,1,0,0|2,0,0]=4 431 B14R2.8038 Cc1cccc2c1ccc(c2C)C TS45180 [0,1,0,1,0,0|2,0,0]=4 432 B14R2.1801 c1cc2cc(ccc2c(c1)Br)C=O TS56609 [0,1,0,1,0,0|1,0,1]=4 433 B14R3.164 c1cc2cccc3c2c(c1)CC3 TS10455 [0,0,0,2,0,0|2,0,0]=4