0 B13R2.57 C#Cc1cc2ccccc2nc1 AB13977 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.57 C#Cc1ccc2c(c1)cccn2 AB69164 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.57 C#Cc1ccc2ccccc2n1 AB48506 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.57 COc1ccc2c(c1)CCNC2 AB09837 [0,0,0,0,0,0|2,0,2]=4 6 B13R2.57 COc1ccc2c(c1)CNCC2 AB09126 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.57 COc1ccc2c(c1)NCCC2 MB06336 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.57 COc1ccc2c(c1)NCCO2 AB43971 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.57 COc1ccc2c(c1)OCCN2 MB09263 [0,0,0,0,0,0|1,0,3]=4 10 B13R2.57 COc1ccc2c(c1)OCCN2 MB11317 [0,0,0,0,0,0|1,0,3]=4 11 B13R2.57 COc1ccc2cnccc2c1 AB19119 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.57 c1cc(cc2c1ccnc2)C#N MB08768 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.57 c1cc2c(cc1C=O)nccn2 AB07316 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.57 c1cc2c(ccc(n2)CN)nc1 AB68446 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [0,0,0,0,0,0|2,0,0]=2 20 B13R2.57 c1cc2cc(ccc2nc1)NN AB28072 [0,0,0,0,0,0|2,0,0]=2 21 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.57 c1cc2cc(cnc2nc1)CN AB68439 [0,0,0,0,0,0|3,0,0]=3 23 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,0,0,0,0,0|4,0,0]=4 24 B13R2.57 c1cc2cnccc2cc1C#N MB08351 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,0,0,0,0,0|4,0,0]=4 26 B13R2.57 c1cc2cnccc2cc1CN MB08771 [0,0,0,0,0,0|4,0,0]=4 27 B13R2.57 c1cc2cnccc2cc1CO MB09755 [0,0,0,0,0,0|4,0,0]=4 28 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,0,0,0,0,0|4,0,0]=4 29 B13R2.57 c1ccc2c(c1)cc(cn2)CCl AB14411 [0,0,0,0,0,0|4,0,0]=4 30 B13R2.57 c1ccc2c(c1)cc(cn2)CN AB06242 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [0,0,0,0,0,0|4,0,0]=4 32 B13R2.57 c1ccc2c(c1)ccc(n2)CCl AB01399 [0,0,0,0,0,0|4,0,0]=4 33 B13R2.57 c1ccc2c(c1)ccc(n2)CN AB12710 [0,0,0,0,0,0|4,0,0]=4 34 B13R2.57 c1ccc2cc(ccc2c1)NN AB17521 [0,0,0,0,0,0|3,0,0]=3 35 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,0,0,0,0,0|4,0,0]=4 36 B13R2.57 c1ccc2cnc(cc2c1)CN AB23438 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [1,0,0,0,0,0|1,0,0]=2 38 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [1,0,0,0,0,0|3,0,0]=4 39 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [1,0,0,0,0,0|3,0,0]=4 41 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [1,0,0,0,0,0|2,0,0]=3 46 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [1,0,0,0,0,0|2,0,1]=4 47 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [1,0,0,0,0,0|2,0,0]=3 48 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [1,0,0,0,0,0|2,0,0]=3 49 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [1,0,0,0,0,0|2,0,0]=3 50 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [1,0,0,0,0,0|2,0,0]=3 51 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [1,0,0,0,0,0|2,0,0]=3 52 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [1,0,0,0,0,0|2,0,0]=3 53 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [1,0,0,0,0,0|1,0,0]=2 54 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [1,0,0,0,0,0|2,0,0]=3 55 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [1,0,0,0,0,0|2,0,0]=3 56 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [1,0,0,0,0,0|3,0,0]=4 58 B12R2.24 c1cc2c(nc1)ncc(n2)Cl AB27598 [1,0,0,0,0,0|3,0,0]=4 59 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [1,0,0,0,0,0|1,0,0]=2 60 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [1,0,0,0,0,0|2,0,0]=3 61 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 c1cc2cnccc2cc1Br PB29336 [1,0,0,0,0,0|3,0,0]=4 63 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [1,0,0,0,0,0|3,0,0]=4 64 B12R2.24 c1cc2cnccc2cc1F MB09677 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.24 c1cc2cnccc2cc1I MB09307 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.24 c1cc2cnccc2cc1N AB19123 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.24 c1cc2cnccc2cc1O AB19117 [1,0,0,0,0,0|2,0,0]=3 68 B12R2.24 c1cc2cncnc2cc1O AB60737 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,0,0,0,0,0|3,0,0]=4 70 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,0,0,0,0,0|3,0,0]=4 71 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,0,0,0,0,0|3,0,0]=4 72 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [1,0,0,0,0,0|3,0,0]=4 73 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [1,0,0,0,0,0|3,0,0]=4 74 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [1,0,0,0,0,0|3,0,0]=4 75 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,0,0,0,0,0|2,0,0]=3 76 B12R2.24 c1cnc2c(n1)cc(cn2)Br PB30680 [1,0,0,0,0,0|3,0,0]=4 77 B14R2.92 c1cc2c(c(cnc2nc1)C#N)Cl PB19550 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.112 CNCc1cc2ccccc2nc1 AB45811 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.112 CNCc1ccc2c(c1)cccn2 AB28133 [0,1,0,0,0,0|1,0,0]=2 80 B14R2.112 CNCc1ccc2ccccc2n1 AB53825 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.112 c1cc2cc(ccc2nc1)CC=O AB57659 [0,1,0,0,0,0|1,0,1]=3 82 B14R2.112 c1ccc2c(c1)cc(cn2)CCN AB45411 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.112 c1ccc2c(c1)ccc(n2)CCN AB45414 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.112 c1ccc2cc(ccc2c1)CC=O AB11816 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.112 c1ccc2cc(ccc2c1)CCN AB09173 [0,1,0,0,0,0|2,0,0]=3 86 B14R2.134 CNc1ccc2ccc(cc2n1)Br MB10582 [0,1,0,0,0,0|3,0,0]=4 87 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 AB00149 [0,1,0,0,0,0|1,0,2]=4 88 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 AB44261 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.134 COc1ccc2c(c1)cc(cn2)Br AB49947 [0,1,0,0,0,0|0,0,0]=1 90 B14R2.134 COc1ccc2c(c1)cc(cn2)N AB42120 [0,1,0,0,0,0|0,0,0]=1 91 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [0,1,0,0,0,0|2,0,0]=3 92 B14R2.134 COc1ccc2ccc(cc2n1)Br MB10600 [0,1,0,0,0,0|2,0,0]=3 93 B14R2.134 Cc1ccc2ccc(cc2n1)OC AB52428 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N MB06812 [0,1,0,0,0,0|3,0,0]=4 95 B14R2.134 c1cc2c(cc1C=O)[nH]c(=O)cn2 MB69331 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.142 CCc1ccc2c(c1)c(ccn2)Cl AB52108 [0,1,0,0,0,0|1,0,0]=2 97 B14R2.142 CCc1ccc2c(c1)c(ccn2)N AB52071 [0,1,0,0,0,0|1,0,0]=2 98 B14R2.142 CCc1ccc2c(c1)c(ccn2)O AB11881 [0,1,0,0,0,0|1,0,0]=2 99 B14R2.142 COc1cc2c(cc[nH]c2=O)cn1 AB84997 [0,1,0,0,0,0|3,0,0]=4 100 B14R2.142 COc1cc2c(cc[nH]c2=O)nc1 PB38355 [0,1,0,0,0,0|3,0,0]=4 101 B14R2.142 COc1cc2c(ccnc2Cl)nc1 PB37760 [0,1,0,0,0,0|3,0,0]=4 102 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 AB00146 [0,1,0,0,0,0|1,0,2]=4 103 B14R2.142 COc1ccc2c(c1)C(=O)CCN2 AB06716 [0,1,0,0,0,0|0,0,3]=4 104 B14R2.142 COc1ccc2c(c1)C(=O)NCC2 AB19125 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.142 COc1ccc2c(c1)c(=O)[nH]cn2 MB03481 [0,1,0,0,0,0|1,0,0]=2 106 B14R2.142 COc1ccc2c(c1)c(ccn2)Br AB45030 [0,1,0,0,0,0|0,0,0]=1 107 B14R2.142 COc1ccc2c(c1)c(ccn2)Cl AB01409 [0,1,0,0,0,0|0,0,0]=1 108 B14R2.142 COc1ccc2c(c1)c(ccn2)N AB06274 [0,1,0,0,0,0|0,0,0]=1 109 B14R2.142 COc1ccc2c(c1)c(ccn2)O AB01174 [0,1,0,0,0,0|0,0,0]=1 110 B14R2.142 COc1ccc2c(c1)c(ncn2)Cl PB32431 [0,1,0,0,0,0|1,0,0]=2 111 B14R2.142 COc1ccc2c(c1)c(ncn2)N AB27827 [0,1,0,0,0,0|1,0,0]=2 112 B14R2.142 COc1ccc2c(n1)c(ccn2)Cl PB20315 [0,1,0,0,0,0|1,0,0]=2 113 B14R2.142 COc1ccc2cc[nH]c(=O)c2c1 AB62719 [0,1,0,0,0,0|2,0,0]=3 114 B14R2.142 COc1ccc2cc[nH]c(=O)c2n1 AB85019 [0,1,0,0,0,0|3,0,0]=4 115 B14R2.142 COc1ccc2cccc(c2c1)Cl AB44054 [0,1,0,0,0,0|1,0,0]=2 116 B14R2.142 COc1ccc2cccc(c2c1)N AB44293 [0,1,0,0,0,0|1,0,0]=2 117 B14R2.142 COc1ccc2cccc(c2n1)Br MB10603 [0,1,0,0,0,0|2,0,0]=3 118 B14R2.142 COc1ccc2ccnc(c2c1)Br AB70051 [0,1,0,0,0,0|2,0,0]=3 119 B14R2.142 COc1ccc2ccnc(c2c1)Cl AB69421 [0,1,0,0,0,0|2,0,0]=3 120 B14R2.142 COc1ccc2ccnc(c2c1)N AB69424 [0,1,0,0,0,0|2,0,0]=3 121 B14R2.142 COc1ccc2cnnc(c2c1)Cl AB69656 [0,1,0,0,0,0|3,0,0]=4 122 B14R2.142 c1cc2c(cc1C#N)c(ccn2)O CB11067 [0,1,0,0,0,0|2,0,0]=3 123 B14R2.142 c1cc2c(cc1C#N)c(ncn2)Cl PB23812 [0,1,0,0,0,0|3,0,0]=4 124 B14R2.142 c1cc2c(cc1CBr)c(ccn2)Cl AB63940 [0,1,0,0,0,0|2,0,0]=3 125 B14R2.142 c1cc2c(cc1CBr)c(ncn2)Cl AB51051 [0,1,0,0,0,0|3,0,0]=4 126 B14R2.781 B(c1cc2cccnc2nc1)(O)O AB68434 [0,1,0,0,0,0|3,0,0]=4 127 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O AB13210 [0,1,0,0,0,0|2,0,0]=3 128 B14R2.781 B(c1ccc2c(c1)cncn2)(O)O AB68452 [0,1,0,0,0,0|3,0,0]=4 129 B14R2.781 B(c1ccc2c(c1)nccn2)(O)O AB17605 [0,1,0,0,0,0|3,0,0]=4 130 B14R2.781 B(c1ccc2c(c1)nccn2)(O)O AB44872 [0,1,0,0,0,0|3,0,0]=4 131 B14R2.781 B(c1ccc2ccccc2c1)(O)O AB05352 [0,1,0,0,0,0|3,0,0]=4 132 B14R2.781 CC(=O)c1cc2ccccc2cn1 AB25777 [0,1,0,0,0,0|3,0,0]=4 133 B14R2.781 c1cc2c(cc1C(=O)O)cncn2 PB28286 [0,1,0,0,0,0|3,0,0]=4 134 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 PB30868 [0,1,0,0,0,0|3,0,0]=4 135 B14R2.781 c1cc2cc(cnc2nc1)C(=O)O AB23694 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.1019 COc1cc2cccnc2c(c1)N CB10417 [0,1,0,0,0,0|0,0,0]=1 137 B14R2.1128 CCc1cc2ccccc2nc1N AB05805 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.1128 COc1c(nc2ccccc2n1)Cl AB31541 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.1128 c1cc2cc(c(nc2nc1)N)C#N AB25875 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.1801 COc1cc2c(c(ccn2)Cl)nc1 PB16432 [0,1,0,0,0,0|3,0,0]=4 141 B14R2.1801 COc1cc2c(cn1)c(ccn2)Cl PB31606 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.1801 COc1cc2cc[nH]c(=O)c2cn1 AB76341 [0,1,0,0,0,0|3,0,0]=4 143 B14R2.1801 COc1ccc2c(c1)cccc2Br MB03398 [0,1,0,0,0,0|1,0,0]=2 144 B14R2.1801 COc1ccc2c(c1)ccnc2Br AB70054 [0,1,0,0,0,0|2,0,0]=3 145 B14R2.1801 COc1ccc2c(c1)ccnc2Cl AB27579 [0,1,0,0,0,0|2,0,0]=3 146 B14R2.1801 COc1ccc2c(c1)ccnc2N AB69419 [0,1,0,0,0,0|2,0,0]=3 147 B14R2.1801 COc1ccc2c(c1)ccnc2O AB64610 [0,1,0,0,0,0|2,0,0]=3 148 B14R2.1801 COc1ccc2c(c1)cnnc2Cl AB50536 [0,1,0,0,0,0|3,0,0]=4 149 B14R2.1801 COc1ccc2c(c1)ncnc2Cl AB27825 [0,1,0,0,0,0|3,0,0]=4 150 B14R2.1801 COc1ccc2c(c1)ncnc2N AB27824 [0,1,0,0,0,0|3,0,0]=4 151 B14R2.1801 COc1ccc2c(ccnc2c1)Cl PB12379 [0,1,0,0,0,0|2,0,0]=3 152 B14R2.1801 COc1ccc2c(ccnc2c1)N AB43461 [0,1,0,0,0,0|2,0,0]=3 153 B14R2.1801 COc1ccc2c(ccnc2c1)O AB04264 [0,1,0,0,0,0|2,0,0]=3 154 B14R2.1801 COc1ccc2c(n1)cc[nH]c2=O AB85008 [0,1,0,0,0,0|3,0,0]=4 155 B14R2.1801 COc1ccc2c(n1)cccc2Br MB10596 [0,1,0,0,0,0|2,0,0]=3 156 B14R2.1801 COc1ccc2c(n1)ccnc2Cl AB73804 [0,1,0,0,0,0|3,0,0]=4 157 B14R2.1801 COc1ccc2c(n1)ccnc2O AB73806 [0,1,0,0,0,0|3,0,0]=4 158 B14R2.2332 CCc1ccc2c(c1)ccc(n2)C AB45128 [0,1,0,0,0,0|1,0,0]=2 159 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 AB00148 [0,1,0,0,0,0|1,0,2]=4 160 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 MB02321 [0,1,0,0,0,0|0,0,3]=4 161 B14R2.2332 COc1ccc2c(c1)OCC(=O)C2 AB56632 [0,1,0,0,0,0|2,0,1]=4 162 B14R2.2332 COc1ccc2c(c1)OCC(=O)N2 AB23658 [0,1,0,0,0,0|1,0,2]=4 163 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl AB07225 [0,1,0,0,0,0|0,0,0]=1 164 B14R2.2332 COc1ccc2c(c1)cnc(n2)N AB60763 [0,1,0,0,0,0|1,0,0]=2 165 B14R2.2332 COc1ccc2c(c1)nnc(n2)N MB09369 [0,1,0,0,0,0|2,0,0]=3 166 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [0,1,0,0,0,0|1,0,0]=2 167 B14R2.2332 COc1ccc2cc(ccc2n1)Br MB10111 [0,1,0,0,0,0|2,0,0]=3 168 B14R2.2332 COc1ccc2cc(cnc2c1)Br MB10604 [0,1,0,0,0,0|2,0,0]=3 169 B14R2.2332 c1cc2c(ccc(=O)[nH]2)cc1C#N MB06791 [0,1,0,0,0,0|2,0,1]=4 170 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N MB06874 [0,1,0,0,0,0|2,0,0]=3 171 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C=O AB43967 [0,1,0,0,0,0|2,0,0]=3 172 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1CBr AB63912 [0,1,0,0,0,0|2,0,0]=3 173 B14R2.2332 c1cc2cc(ccc2cc1CO)N AB50496 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [0,0,1,0,0,0|2,0,1]=4 175 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,0,1,0,0,0|2,0,1]=4 176 B12R1.382 COc1cccc(c1)CCC=O AB42268 [0,0,1,0,0,0|1,0,2]=4 177 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [0,0,0,0,1,0|3,0,0]=4 178 B12R2.44 C#CC1=CC2C=CN=C2C=C1 AB64484 [0,0,0,0,1,0|1,0,2]=4 179 B12R2.44 C1C=C(C=C2C1=NC=C2)C#N PB25883 [0,0,0,0,1,0|2,0,1]=4 180 B12R2.44 C1C=C(C=C2C1=NC=C2)C=O AB10798 [0,0,0,0,1,0|2,0,1]=4 181 B12R2.44 C1C=C(C=C2C1=NC=C2)CN AB09848 [0,0,0,0,1,0|2,0,1]=4 182 B12R2.44 C1C=C(C=C2C1=NC=C2)CO AB11366 [0,0,0,0,1,0|2,0,1]=4 183 B12R2.44 CCC1=CC2C=NN=C2C=C1 MB03487 [0,0,0,0,1,0|2,0,1]=4 184 B12R2.44 COC1=CC2C=CN=C2C=C1 AB00488 [0,0,0,0,1,0|0,0,1]=2 185 B12R2.44 COC1=CC2C=NN=C2C=C1 PB32539 [0,0,0,0,1,0|1,0,1]=3 186 B12R2.44 COC1=CN=C2C=CN=C2C1 PB19328 [0,0,0,0,1,0|2,0,1]=4 187 B12R2.44 COC1=NC2C=CN=C2C=C1 PB34310 [0,0,0,0,1,0|1,0,1]=3 188 B12R2.44 COC1=NC2C=NN=C2C=C1 PB17758 [0,0,0,0,1,0|2,0,1]=4 189 B12R2.44 COC1=NC=C2C=CN=C2C1 PB31322 [0,0,0,0,1,0|2,0,1]=4 190 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [0,0,0,0,1,0|1,0,2]=4 191 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,0,0,0,1,0|1,0,1]=3 192 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,0,0,0,1,0|2,0,1]=4 193 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,0,0,0,1,0|1,0,2]=4 194 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,0,0,0,1,0|1,0,0]=2 195 B12R2.44 COc1ccc2c(n1)N=CC2 PB18740 [0,0,0,0,1,0|2,0,1]=4 196 B12R2.44 COc1ncc2c(n1)ccs2 PB18321 [0,0,0,0,1,0|3,0,0]=4 197 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [0,0,0,0,1,0|3,0,0]=4 198 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,0,0,0,1,0|3,0,0]=4 199 B12R2.44 c1cc2c(cc1C#N)scn2 AB26026 [0,0,0,0,1,0|3,0,0]=4 200 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,0,0,0,1,0|3,0,0]=4 201 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,0,0,0,1,0|3,0,0]=4 202 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,0,0,0,1,0|3,0,0]=4 203 B12R2.44 c1cc2c(ccs2)cc1C#N MB03564 [0,0,0,0,1,0|3,0,0]=4 204 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,0,0,0,1,0|3,0,0]=4 205 B12R2.44 c1cc2nccn2cc1C#N PB20190 [0,0,0,0,1,0|3,0,0]=4 206 B12R2.44 c1cc2nccn2cc1C=O PB22050 [0,0,0,0,1,0|3,0,0]=4 207 B12R2.44 c1cc2nccn2cc1CN AB44926 [0,0,0,0,1,0|3,0,0]=4 208 B12R2.44 c1cc2nccn2cc1CO PB13061 [0,0,0,0,1,0|3,0,0]=4 209 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,1,0,0,0|2,0,0]=4 210 B11R1.83 COc1ccc(cc1)CC=O AB11810 [1,0,1,0,0,0|1,0,1]=4 211 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [1,0,1,0,0,0|1,0,0]=3 212 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [1,0,1,0,0,0|2,0,0]=4 213 B11R1.280 COc1ccc(c(c1)C=O)N AB58425 [1,0,1,0,0,0|1,0,1]=4 214 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [1,0,1,0,0,0|1,0,1]=4 215 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,0,1,0,0,0|1,0,0]=3 217 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [2,0,0,0,0,0|1,0,0]=3 218 B11R2.20 c1cc2cccnc2nc1 AB02373 [2,0,0,0,0,0|1,0,0]=3 219 B11R2.20 c1cc2cnccc2nc1 AB02371 [2,0,0,0,0,0|1,0,0]=3 220 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,1,1,0,0,0|2,0,0]=4 221 B13R1.643 B(\C=C\c1cccc(c1)OC)(O)O AB22312 [0,1,1,0,0,0|2,0,0]=4 222 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [1,1,0,0,0,0|2,0,0]=4 223 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [1,1,0,0,0,0|2,0,0]=4 224 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [1,1,0,0,0,0|2,0,0]=4 225 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [1,1,0,0,0,0|1,0,0]=3 226 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [1,1,0,0,0,0|2,0,0]=4 227 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [1,1,0,0,0,0|1,0,0]=3 228 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,1,0,0,0,0|2,0,0]=4 229 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,1,0,0,0,0|2,0,0]=4 230 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,1,0,0,0,0|2,0,0]=4 232 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,1,0,0,0,0|2,0,0]=4 233 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [1,1,0,0,0,0|1,0,0]=3 234 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [1,1,0,0,0,0|1,0,0]=3 235 B13R2.155 c1cc2c(cc1Br)nc(cn2)Cl AB12778 [1,1,0,0,0,0|2,0,0]=4 236 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl AB14861 [1,1,0,0,0,0|2,0,0]=4 237 B13R2.162 Cc1ccc2c(c1)C(CC=N2)O AB45147 [1,1,0,0,0,0|0,0,2]=4 238 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [1,1,0,0,0,0|0,0,0]=2 239 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [1,1,0,0,0,0|0,0,0]=2 240 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [1,1,0,0,0,0|0,0,0]=2 241 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl AB15706 [1,1,0,0,0,0|1,0,0]=3 242 B13R2.162 Cc1ccc2c(n1)c(ncn2)Cl AB73150 [1,1,0,0,0,0|2,0,0]=4 243 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [1,1,0,0,0,0|2,0,0]=4 244 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [1,1,0,0,0,0|2,0,0]=4 245 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [1,1,0,0,0,0|2,0,0]=4 246 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [1,1,0,0,0,0|2,0,0]=4 247 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [1,1,0,0,0,0|1,0,0]=3 248 B13R2.162 c1cc(nc2c1nccc2Br)Br PB11778 [1,1,0,0,0,0|2,0,0]=4 249 B13R2.162 c1cc(nc2c1nccc2Cl)Cl PB27264 [1,1,0,0,0,0|2,0,0]=4 250 B13R2.162 c1cc2c(cc1Br)c(=O)[nH]cn2 AB21786 [1,1,0,0,0,0|2,0,0]=4 251 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [1,1,0,0,0,0|1,0,0]=3 252 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [1,1,0,0,0,0|1,0,0]=3 253 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [1,1,0,0,0,0|1,0,0]=3 254 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl PB32280 [1,1,0,0,0,0|2,0,0]=4 255 B13R2.162 c1cc2c(cc1Br)c(ncn2)N AB11598 [1,1,0,0,0,0|2,0,0]=4 256 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [1,1,0,0,0,0|1,0,0]=3 257 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [1,1,0,0,0,0|1,0,0]=3 258 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [1,1,0,0,0,0|1,0,0]=3 259 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl AB03250 [1,1,0,0,0,0|2,0,0]=4 260 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N AB12133 [1,1,0,0,0,0|2,0,0]=4 261 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 CB11390 [1,1,0,0,0,0|2,0,0]=4 262 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [1,1,0,0,0,0|1,0,0]=3 263 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [1,1,0,0,0,0|1,0,0]=3 264 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [1,1,0,0,0,0|1,0,0]=3 265 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl AB42372 [1,1,0,0,0,0|2,0,0]=4 266 B13R2.162 c1cc2c(cc1F)c(ncn2)N CB11608 [1,1,0,0,0,0|2,0,0]=4 267 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 PB31146 [1,1,0,0,0,0|1,0,1]=4 268 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 PB18488 [1,1,0,0,0,0|2,0,0]=4 269 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl PB19952 [1,1,0,0,0,0|2,0,0]=4 270 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 AB07313 [1,1,0,0,0,0|1,0,0]=3 271 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [1,1,0,0,0,0|1,0,0]=3 272 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [1,1,0,0,0,0|2,0,0]=4 273 B13R2.328 Cc1cc(cc2c1nccn2)Br MB15073 [1,1,0,0,0,0|2,0,0]=4 274 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,1,0,0,0,0|2,0,0]=4 275 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,1,0,0,0,0|2,0,0]=4 276 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,1,0,0,0,0|2,0,0]=4 277 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [1,1,0,0,0,0|0,0,1]=3 278 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,1,0,0,0,0|0,0,0]=2 279 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [1,1,0,0,0,0|0,0,0]=2 280 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [1,1,0,0,0,0|1,0,0]=3 281 B13R2.3683 Cc1ccc2c(c1)nnc(n2)N MB00344 [1,1,0,0,0,0|2,0,0]=4 282 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [1,1,0,0,0,0|1,0,0]=3 283 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [1,1,0,0,0,0|1,0,0]=3 284 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,1,0,0,0,0|1,0,0]=3 285 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [1,1,0,0,0,0|1,0,0]=3 286 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [1,1,0,0,0,0|1,0,0]=3 287 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,1,0,0,0,0|1,0,0]=3 288 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,1,0,0,0,0|1,0,0]=3 289 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [1,1,0,0,0,0|1,0,0]=3 290 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [1,1,0,0,0,0|1,0,0]=3 291 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Br AB68437 [1,1,0,0,0,0|2,0,0]=4 292 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl PB30962 [1,1,0,0,0,0|2,0,0]=4 293 B13R2.3683 c1cc(nc2c1cc(cn2)Br)N AB54756 [1,1,0,0,0,0|2,0,0]=4 294 B13R2.3683 c1cc(nc2c1nc(cc2)Br)Br AB05216 [1,1,0,0,0,0|2,0,0]=4 295 B13R2.3683 c1cc(nc2c1nc(cc2)Cl)Cl AB16862 [1,1,0,0,0,0|2,0,0]=4 296 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [1,1,0,0,0,0|1,0,1]=4 297 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [1,1,0,0,0,0|1,0,1]=4 298 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [1,1,0,0,0,0|1,0,1]=4 299 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [1,1,0,0,0,0|0,0,1]=3 300 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl PB14676 [1,1,0,0,0,0|2,0,0]=4 301 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N AB17886 [1,1,0,0,0,0|2,0,0]=4 302 B13R2.3683 c1cc2c(cc1Br)ncc(n2)Cl PB25125 [1,1,0,0,0,0|2,0,0]=4 303 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N MB09957 [1,1,0,0,0,0|2,0,0]=4 304 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [1,1,0,0,0,0|2,0,0]=4 305 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [1,1,0,0,0,0|2,0,0]=4 306 B13R2.3683 c1cc2c(cc1O)nnc(n2)N MB10248 [1,1,0,0,0,0|2,0,0]=4 307 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [1,1,0,0,0,0|2,0,0]=4 308 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [1,1,0,0,0,0|2,0,0]=4 309 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [1,1,0,0,0,0|2,0,0]=4 311 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [1,1,0,0,0,0|2,0,0]=4 312 B13R2.84 COC1=C(C2C=CN=C2N=C1)Br PB18021 [0,1,0,0,1,0|1,0,1]=4 313 B13R2.84 COC1=C(C2C=CN=C2N=C1)Cl PB26540 [0,1,0,0,1,0|1,0,1]=4 314 B13R2.84 COC1=C(C2C=CN=C2N=C1)I PB13660 [0,1,0,0,1,0|1,0,1]=4 315 B13R2.84 COc1ccc2ccoc2c1Br MB06986 [0,1,0,0,1,0|1,0,0]=3 316 B13R2.430 CC(=O)c1ccc2nccn2c1 AB56966 [0,1,0,0,1,0|2,0,0]=4 317 B13R2.449 CNCc1ccc2nccn2c1 AB44218 [0,1,0,0,1,0|2,0,0]=4 318 B13R2.654 COC1=CC(=C2C=CN=C2C1)Br AB13576 [0,1,0,0,1,0|1,0,1]=4 319 B13R2.654 COc1cc(c2c(n1)ccs2)Cl AB65849 [0,1,0,0,1,0|2,0,0]=4 320 B13R2.654 COc1cc2ccoc2c(c1)Br MB07007 [0,1,0,0,1,0|1,0,0]=3 321 B13R2.654 COc1cc2ccoc2c(c1)Cl MB10423 [0,1,0,0,1,0|1,0,0]=3 322 B13R2.669 CC1=NN=C2=C1C=C(C=C2)OC MB19208 [0,1,0,0,1,0|1,0,1]=4 323 B13R2.669 COC1=CC2C(=NN=C2Br)C=C1 MB05005 [0,1,0,0,1,0|1,0,1]=4 324 B13R2.669 COC1=CC2C(=NN=C2Cl)C=C1 MB05003 [0,1,0,0,1,0|1,0,1]=4 325 B13R2.669 COC1=CC2C(=NN=C2I)C=C1 AB42751 [0,1,0,0,1,0|1,0,1]=4 326 B13R2.669 COC1=CC2C(=NN=C2N)C=C1 AB58303 [0,1,0,0,1,0|1,0,1]=4 327 B13R2.669 COC1=NC2C(=NC=C2I)C=C1 AB48841 [0,1,0,0,1,0|1,0,1]=4 328 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,1,0,0,1,0|1,0,1]=4 329 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [0,1,0,0,1,0|1,0,0]=3 330 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [0,1,0,0,1,0|1,0,1]=4 331 B13R2.669 COc1ccc2c(c1)c(no2)Cl AB72257 [0,1,0,0,1,0|2,0,0]=4 332 B13R2.2121 CC1=NC2=C(=N1)C=CC(=C2)OC AB07058 [0,1,0,0,1,0|1,0,1]=4 333 B13R2.2121 COC1=CC2C(=NC(=N2)N)C=C1 AB12700 [0,1,0,0,1,0|1,0,1]=4 334 B13R2.2121 COC1=CC2C(=NC(=N2)O)C=C1 AB02155 [0,1,0,0,1,0|1,0,1]=4 335 B13R2.2121 COC1=CC2C(=NC(=N2)S)C=C1 AB03750 [0,1,0,0,1,0|1,0,1]=4 336 B13R2.2121 COC1=CC2C=C(N=C2C=C1)I MB12358 [0,1,0,0,1,0|0,0,1]=3 337 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,1,0,0,1,0|0,0,2]=4 338 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,1,0,0,1,0|1,0,1]=4 339 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,1,0,0,1,0|2,0,0]=4 340 B13R2.2121 COc1ccc2c(c1)oc(n2)Cl AB73086 [0,1,0,0,1,0|1,0,0]=3 341 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl AB06750 [0,1,0,0,1,0|1,0,0]=3 342 B13R2.2121 COc1ccc2c(n1)sc(n2)Cl AB70002 [0,1,0,0,1,0|2,0,0]=4 343 B13R2.2121 COc1ccc2c(n1)sc(n2)N PB30602 [0,1,0,0,1,0|2,0,0]=4 344 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,1,0,0,1,0|1,0,1]=4 345 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,0,1,0|1,0,1]=4 346 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [0,1,0,0,1,0|2,0,0]=4 347 B13R2.2130 COc1ccn2c(c1)ncc2Br AB61193 [0,1,0,0,1,0|2,0,0]=4 348 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)Cl AB52105 [0,2,0,0,0,0|0,0,0]=2 349 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)N AB52066 [0,2,0,0,0,0|0,0,0]=2 350 B15R2.1290 CCOc1ccc2c(c1)c(ccn2)O AB11877 [0,2,0,0,0,0|0,0,0]=2 351 B15R2.1601 COC(=N)c1cc2ccccc2nc1 AB60996 [0,2,0,0,0,0|2,0,0]=4 352 B15R2.1601 COC(=O)c1ccc2c(c1)cncn2 PB17151 [0,2,0,0,0,0|1,0,0]=3 353 B15R2.1601 COC(=O)c1ccc2ccncc2c1 MB09806 [0,2,0,0,0,0|2,0,0]=4 354 B15R2.1601 COC(=O)c1ccc2cnccc2c1 MB09804 [0,2,0,0,0,0|2,0,0]=4 355 B15R2.4776 COc1ccc2c(c1)C=C(CO2)C#N AB04726 [0,2,0,0,0,0|1,0,1]=4 356 B15R2.4776 COc1ccc2c(c1)C=C(CO2)C=O AB09679 [0,2,0,0,0,0|1,0,1]=4 357 B15R2.4776 COc1ccc2c(c1)cc(cn2)C=O AB49943 [0,2,0,0,0,0|0,0,0]=2 358 B15R2.4776 COc1ccc2ccc(cc2c1)OC AB00338 [0,2,0,0,0,0|1,0,0]=3 359 B15R2.21336 CCc1ccc2c(c1)cc(c(n2)Cl)C AB42063 [0,2,0,0,0,0|1,0,0]=3 360 B15R2.21336 CCc1ccc2c(c1)cc(c(n2)N)C AB05781 [0,2,0,0,0,0|1,0,0]=3 361 B15R2.21336 Cc1cc2cc(ccc2nc1Cl)OC AB11436 [0,2,0,0,0,0|0,0,0]=2 362 B15R2.21336 Cc1cc2cc(ccc2nc1N)OC AB05798 [0,2,0,0,0,0|0,0,0]=2 363 B15R2.21336 Cc1cc2ccc(cc2nc1Cl)OC AB51977 [0,2,0,0,0,0|2,0,0]=4 364 B15R2.21336 Cc1cc2ccc(cc2nc1N)OC AB05802 [0,2,0,0,0,0|2,0,0]=4 365 B15R2.89396 Cc1cc(c2ccc(cc2n1)OC)Cl AB52110 [0,2,0,0,0,0|2,0,0]=4 366 B15R2.89396 Cc1cc(c2ccc(cc2n1)OC)N AB52081 [0,2,0,0,0,0|2,0,0]=4 367 B15R2.2393 COc1cc2c(cc1F)nc[nH]c2=O PB11844 [0,2,0,0,0,0|1,0,0]=3 368 B15R2.2393 COc1cc2c(cc1F)ncnc2Cl PB32570 [0,2,0,0,0,0|1,0,0]=3 369 B15R2.2393 COc1cc2c(cc1I)N=CCC2=O PB18366 [0,2,0,0,0,0|0,0,1]=3 370 B15R2.2393 COc1cc2c(cc1O)nc[nH]c2=O PB10563 [0,2,0,0,0,0|1,0,0]=3 371 B15R2.2393 COc1cc2c(cc1O)ncnc2Cl PB12842 [0,2,0,0,0,0|1,0,0]=3 372 B15R2.4846 CCc1ccc2c(c1)c(ccn2)NN AB52144 [0,2,0,0,0,0|1,0,0]=3 373 B15R2.4846 COc1ccc2c(c1)c(ccn2)C=O AB30483 [0,2,0,0,0,0|0,0,0]=2 374 B15R2.4846 COc1ccc2c(c1)c(ccn2)NN AB52148 [0,2,0,0,0,0|0,0,0]=2 375 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)C)Cl AB42055 [0,2,0,0,0,0|1,0,0]=3 376 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)C)N AB52067 [0,2,0,0,0,0|1,0,0]=3 377 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)C)O AB05736 [0,2,0,0,0,0|1,0,0]=3 378 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)Cl)C AB55925 [0,2,0,0,0,0|1,0,0]=3 379 B15R2.21329 CCc1ccc2c(c1)c(cc(n2)O)C AB55924 [0,2,0,0,0,0|1,0,0]=3 380 B15R2.21329 COc1ccc2c(c1)[n+](nc(n2)N)[O-] MB00764 [0,2,0,0,0,0|2,0,0]=4 381 B15R2.21329 COc1ccc2c(c1)c(cc(n2)Cl)Cl AB13973 [0,2,0,0,0,0|0,0,0]=2 382 B15R2.21329 COc1ccc2c(c1)c(nc(n2)Cl)Cl PB14779 [0,2,0,0,0,0|1,0,0]=3 383 B15R2.21329 COc1ccc2c(c1)c(nc(n2)Cl)N AB60751 [0,2,0,0,0,0|1,0,0]=3 384 B15R2.21329 COc1ccc2c(c1)c(nc(n2)O)O AB55914 [0,2,0,0,0,0|1,0,0]=3 385 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)Br AB42137 [0,2,0,0,0,0|0,0,0]=2 386 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)Cl AB03352 [0,2,0,0,0,0|0,0,0]=2 387 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)N AB06449 [0,2,0,0,0,0|0,0,0]=2 388 B15R2.21329 Cc1cc(c2cc(ccc2n1)OC)O AB05594 [0,2,0,0,0,0|0,0,0]=2 389 B15R2.21329 Cc1cc(nc2c1cc(cc2)OC)Cl AB03211 [0,2,0,0,0,0|0,0,0]=2 390 B15R2.21329 Cc1cc(nc2c1cc(cc2)OC)O AB07037 [0,2,0,0,0,0|0,0,0]=2 391 B15R2.21329 Cc1nc2ccc(cc2c(n1)O)OC AB48748 [0,2,0,0,0,0|1,0,0]=3 392 B15R2.4441 CC(C)(c1ccc2ccccc2c1)N AB48737 [0,2,0,0,0,0|2,0,0]=4 393 B15R2.7180 B(c1ccc2c(c1)ccc(n2)C)(O)O AB43373 [0,2,0,0,0,0|2,0,0]=4 394 B15R2.2039 Cc1cc2c(cc[nH]c2=O)cc1OC AB63901 [0,2,0,0,0,0|2,0,0]=4 395 B15R2.2039 Cc1cc2c(ccnc2Cl)cc1OC AB63903 [0,2,0,0,0,0|2,0,0]=4 396 B15R2.2310 COc1ccc2c(ccnc2c1)NN AB52152 [0,2,0,0,0,0|2,0,0]=4 397 B15R2.4780 COc1ccc2c(c1)ccc(n2)CBr AB72396 [0,2,0,0,0,0|0,0,0]=2 398 B15R2.4780 COc1ccc2c(c1)ccc(n2)CCl AB60109 [0,2,0,0,0,0|0,0,0]=2 399 B15R2.4780 COc1ccc2c(c1)ccc(n2)CN AB16146 [0,2,0,0,0,0|0,0,0]=2 400 B15R2.4780 COc1ccc2cc(cnc2c1)C=O AB49036 [0,2,0,0,0,0|2,0,0]=4 401 B13R2.611 COc1ccc(c2c1cco2)Br MB06982 [0,0,1,1,0,0|2,0,0]=4 402 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,0,1,0,1,0|2,0,0]=4 403 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,0,1,0,1,0|2,0,0]=4 404 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,0,1,0,1,0|2,0,0]=4 405 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [1,0,0,0,1,0|1,0,1]=4 406 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [1,0,0,0,1,0|1,0,1]=4 407 B11R2.10 Cc1cc2ncccn2n1 AB44285 [1,0,0,0,1,0|2,0,0]=4 408 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [1,0,0,0,1,0|2,0,0]=4 409 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [1,0,0,0,1,0|1,0,1]=4 410 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [1,0,0,0,1,0|1,0,1]=4 411 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [1,0,0,0,1,0|1,0,1]=4 412 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [1,0,0,0,1,0|1,0,1]=4 413 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [1,0,0,0,1,0|0,0,1]=3 414 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [1,0,0,0,1,0|1,0,1]=4 415 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [1,0,0,0,1,0|1,0,1]=4 416 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [1,0,0,0,1,0|1,0,1]=4 417 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [1,0,0,0,1,0|0,0,1]=3 418 B11R2.36 CC1=CC2C=NN=C2C=C1 MB01911 [1,0,0,0,1,0|1,0,1]=4 419 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [1,0,0,0,1,0|1,0,1]=4 420 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,0,0,0,1,0|1,0,0]=3 421 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [1,0,0,0,1,0|1,0,0]=3 422 B11R2.36 Cc1ccn2c(n1)ccn2 AB63891 [1,0,0,0,1,0|2,0,0]=4 423 B11R2.36 Cc1cnc2nccn2c1 AB55753 [1,0,0,0,1,0|2,0,0]=4 424 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [1,0,0,0,1,0|1,0,1]=4 425 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,0,0,0,1,0|2,0,0]=4 426 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,0,0,0,1,0|2,0,0]=4 427 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,1,0|1,0,0]=3 428 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [1,0,0,0,1,0|2,0,0]=4 429 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [1,0,0,0,1,0|2,0,0]=4 430 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [1,0,0,0,1,0|2,0,0]=4 431 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [1,0,0,0,1,0|2,0,0]=4 432 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [1,0,0,0,1,0|2,0,0]=4 433 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [1,0,0,0,1,0|2,0,0]=4 434 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [1,0,0,0,1,0|2,0,0]=4 435 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [1,0,0,0,1,0|2,0,0]=4 436 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [1,0,0,0,1,0|2,0,0]=4 437 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,0,1,0|2,0,0]=4 438 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,0,0,0,1,0|2,0,0]=4 439 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,0,0,0,1,0|2,0,0]=4 440 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,0,0,0,1,0|2,0,0]=4 441 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,0,0,0,1,0|2,0,0]=4 442 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,0,1,0|1,0,0]=3 443 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [1,0,0,0,1,0|2,0,0]=4 444 B11R2.36 c1cc2nccn2cc1Br PB20174 [1,0,0,0,1,0|2,0,0]=4 445 B11R2.36 c1cc2nccn2cc1Cl AB21919 [1,0,0,0,1,0|2,0,0]=4 446 B11R2.36 c1cc2nccn2cc1N PB12399 [1,0,0,0,1,0|2,0,0]=4 447 B11R2.36 c1cc2nccn2cc1O AB28902 [1,0,0,0,1,0|1,0,0]=3 448 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [1,0,0,0,1,0|2,0,0]=4 449 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [1,0,0,0,1,0|1,0,0]=3 450 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [1,0,0,0,1,0|2,0,0]=4