0 B12R2.24 Cc1ccc2c(c1)CCNC2 AB28729 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 Cc1ccc2c(c1)CNCC2 AB12958 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.24 Cc1ccc2c(c1)NCCC2 MB04674 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,0,0,0,0,0|2,0,1]=3 19 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [0,0,0,0,0,0|2,0,0]=2 20 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [0,0,0,0,0,0|2,0,0]=2 21 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [0,0,0,0,0,0|2,0,0]=2 22 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,0,0,0,0,0|3,0,1]=4 24 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [0,0,0,0,0,0|2,0,0]=2 25 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [0,0,0,0,0,0|2,0,0]=2 26 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [0,0,0,0,0,0|2,0,0]=2 29 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [0,0,0,0,0,0|2,0,0]=2 30 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,0,0,0|1,0,3]=4 32 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,0,0,0|2,0,2]=4 33 B12R2.24 c1cc2c(nc1)ncc(n2)Cl AB27598 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [0,0,0,0,0,0|1,0,0]=1 35 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [0,0,0,0,0,0|2,0,0]=2 36 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [0,0,0,0,0,0|3,0,0]=3 38 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [0,0,0,0,0,0|4,0,0]=4 39 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [0,0,0,0,0,0|4,0,0]=4 40 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [0,0,0,0,0,0|4,0,0]=4 41 B12R2.24 c1cc2cnccc2cc1Br PB29336 [0,0,0,0,0,0|3,0,0]=3 42 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [0,0,0,0,0,0|3,0,0]=3 43 B12R2.24 c1cc2cnccc2cc1F MB09677 [0,0,0,0,0,0|3,0,0]=3 44 B12R2.24 c1cc2cnccc2cc1I MB09307 [0,0,0,0,0,0|3,0,0]=3 45 B12R2.24 c1cc2cnccc2cc1N AB19123 [0,0,0,0,0,0|3,0,0]=3 46 B12R2.24 c1cc2cnccc2cc1O AB19117 [0,0,0,0,0,0|3,0,0]=3 47 B12R2.24 c1cc2cncnc2cc1Br PB23522 [0,0,0,0,0,0|4,0,0]=4 48 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [0,0,0,0,0,0|4,0,0]=4 49 B12R2.24 c1cc2cncnc2cc1N AB60731 [0,0,0,0,0,0|4,0,0]=4 50 B12R2.24 c1cc2cncnc2cc1O AB60737 [0,0,0,0,0,0|4,0,0]=4 51 B12R2.24 c1cc2cnncc2cc1Br PB16069 [0,0,0,0,0,0|4,0,0]=4 52 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,0,0,0|4,0,0]=4 53 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [0,0,0,0,0,0|3,0,0]=3 54 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,0,0,0,0,0|3,0,0]=3 55 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,0,0,0,0,0|3,0,0]=3 56 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,0,0,0,0,0|4,0,0]=4 57 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,0,0,0,0,0|4,0,0]=4 58 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,0,0,0,0,0|4,0,0]=4 59 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,0,0,0,0,0|4,0,0]=4 60 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,0,0,0,0,0|3,0,0]=3 61 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,0,0,0,0,0|3,0,0]=3 62 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,0,0,0,0,0|3,0,0]=3 63 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,0,0,0|3,0,0]=3 64 B12R2.24 c1cnc2c(n1)cc(cn2)Br PB30680 [0,0,0,0,0,0|3,0,0]=3 65 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [1,0,0,0,0,0|1,0,0]=2 66 B11R2.20 c1cc2cccnc2nc1 AB02373 [1,0,0,0,0,0|1,0,0]=2 67 B11R2.20 c1cc2cnccc2nc1 AB02371 [1,0,0,0,0,0|1,0,0]=2 68 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,0,0,0|2,0,1]=4 69 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.57 C#Cc1cc2ccccc2nc1 AB13977 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.57 C#Cc1ccc2c(c1)cccn2 AB69164 [0,1,0,0,0,0|0,0,1]=2 78 B13R2.57 C#Cc1ccc2ccccc2n1 AB48506 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.57 COc1ccc2cnccc2c1 AB19119 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.57 c1cc(cc2c1ccnc2)C#N MB08768 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.57 c1cc2c(cc1C=O)nccn2 AB07316 [0,1,0,0,0,0|1,0,1]=3 86 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [0,1,0,0,0,0|1,0,1]=3 87 B13R2.57 c1cc2c(ccc(n2)CN)nc1 AB68446 [0,1,0,0,0,0|1,0,0]=2 88 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,1,0,0,0,0|0,0,1]=2 89 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [0,1,0,0,0,0|0,0,0]=1 90 B13R2.57 c1cc2cc(ccc2nc1)NN AB28072 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [0,1,0,0,0,0|1,0,1]=3 92 B13R2.57 c1cc2cc(cnc2nc1)CN AB68439 [0,1,0,0,0,0|1,0,0]=2 93 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.57 c1cc2ccc(nc2nc1)CCl AB76389 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.57 c1cc2cnccc2cc1C#N MB08351 [0,1,0,0,0,0|2,0,1]=4 96 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.57 c1cc2cnccc2cc1CN MB08771 [0,1,0,0,0,0|2,0,0]=3 98 B13R2.57 c1cc2cnccc2cc1CO MB09755 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,1,0,0,0,0|2,0,1]=4 100 B13R2.57 c1ccc2c(c1)cc(cn2)CCl AB14411 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.57 c1ccc2c(c1)cc(cn2)CN AB06242 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.57 c1ccc2c(c1)ccc(n2)CCl AB01399 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.57 c1ccc2c(c1)ccc(n2)CN AB12710 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.57 c1ccc2c(c1)cnc(n2)CCl AB68878 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.57 c1ccc2c(c1)cnc(n2)CN AB59130 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.57 c1ccc2cc(ccc2c1)NN AB17521 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,1,0,0,0,0|2,0,1]=4 109 B13R2.57 c1ccc2cnc(cc2c1)CN AB23438 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [0,1,0,0,0,0|3,0,0]=4 111 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [0,1,0,0,0,0|1,0,0]=2 112 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,1,0,0,0,0|2,0,1]=4 114 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.155 c1c(cnc2c1nc(nc2)Cl)Br PB19532 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [0,1,0,0,0,0|1,0,0]=2 126 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [0,1,0,0,0,0|1,0,0]=2 127 B13R2.155 c1cc2c(cc1Br)nc(cn2)Cl AB12778 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.155 c1cc2c(cc1Cl)nc(cn2)Cl AB14861 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.155 c1cc2cnc(cc2cc1Br)N MB09260 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 MB00615 [0,1,0,0,0,0|1,0,2]=4 131 B13R2.162 Cc1ccc2c(c1)C(=O)CCN2 AB06464 [0,1,0,0,0,0|0,0,3]=4 132 B13R2.162 Cc1ccc2c(c1)C(=O)NCC2 AB19138 [0,1,0,0,0,0|2,0,1]=4 133 B13R2.162 Cc1ccc2c(c1)C(CC=N2)O AB45147 [0,1,0,0,0,0|0,0,2]=3 134 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [0,1,0,0,0,0|0,0,0]=1 135 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [0,1,0,0,0,0|0,0,0]=1 136 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [0,1,0,0,0,0|0,0,0]=1 137 B13R2.162 Cc1ccc2c(c1)c(ncn2)Cl AB15706 [0,1,0,0,0,0|1,0,0]=2 138 B13R2.162 Cc1ccc2c(n1)c(ncn2)Cl AB73150 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.162 Cc1ccc2cc[nH]c(=O)c2n1 AB76636 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [0,1,0,0,0,0|2,0,0]=3 143 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [0,1,0,0,0,0|2,0,0]=3 144 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [0,1,0,0,0,0|1,0,0]=2 145 B13R2.162 c1c(cnc2c1c(=O)[nH]cn2)Br PB26933 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.162 c1c(cnc2c1c(ncn2)Cl)Br PB17770 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.162 c1c2c(cnc1Cl)ncnc2Cl AB62944 [0,1,0,0,0,0|3,0,0]=4 148 B13R2.162 c1c2c(cnc1F)ncnc2Cl AB49479 [0,1,0,0,0,0|3,0,0]=4 149 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Br AB10173 [0,1,0,0,0,0|3,0,0]=4 150 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Cl AB42150 [0,1,0,0,0,0|3,0,0]=4 151 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [0,1,0,0,0,0|3,0,0]=4 155 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [0,1,0,0,0,0|3,0,0]=4 156 B13R2.162 c1cc(nc2c1nc[nH]c2=O)Cl PB19179 [0,1,0,0,0,0|3,0,0]=4 157 B13R2.162 c1cc(nc2c1nccc2Br)Br PB11778 [0,1,0,0,0,0|2,0,0]=3 158 B13R2.162 c1cc(nc2c1nccc2Cl)Cl PB27264 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.162 c1cc(nc2c1ncnc2Cl)Cl PB19186 [0,1,0,0,0,0|3,0,0]=4 160 B13R2.162 c1cc(nc2c1ncnc2Cl)F AB70525 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.162 c1cc2c(cc1Br)c(=O)[nH]cn2 AB21786 [0,1,0,0,0,0|2,0,0]=3 162 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [0,1,0,0,0,0|1,0,0]=2 163 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [0,1,0,0,0,0|1,0,0]=2 164 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [0,1,0,0,0,0|1,0,0]=2 165 B13R2.162 c1cc2c(cc1Br)c(ncn2)Cl PB32280 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.162 c1cc2c(cc1Br)c(ncn2)N AB11598 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [0,1,0,0,0,0|1,0,0]=2 168 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [0,1,0,0,0,0|1,0,0]=2 169 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [0,1,0,0,0,0|1,0,0]=2 170 B13R2.162 c1cc2c(cc1Cl)c(ncn2)Cl AB03250 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.162 c1cc2c(cc1Cl)c(ncn2)N AB12133 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.162 c1cc2c(cc1F)c(=O)[nH]cn2 CB11390 [0,1,0,0,0,0|2,0,0]=3 173 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [0,1,0,0,0,0|1,0,0]=2 174 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [0,1,0,0,0,0|1,0,0]=2 175 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [0,1,0,0,0,0|1,0,0]=2 176 B13R2.162 c1cc2c(cc1F)c(ncn2)Cl AB42372 [0,1,0,0,0,0|2,0,0]=3 177 B13R2.162 c1cc2c(cc1F)c(ncn2)N CB11608 [0,1,0,0,0,0|2,0,0]=3 178 B13R2.162 c1cc2c(cc1I)C(=O)CC=N2 PB31146 [0,1,0,0,0,0|1,0,1]=3 179 B13R2.162 c1cc2c(cc1I)c(=O)[nH]cn2 PB18488 [0,1,0,0,0,0|2,0,0]=3 180 B13R2.162 c1cc2c(cc1I)c(ncn2)Cl PB19952 [0,1,0,0,0,0|2,0,0]=3 181 B13R2.162 c1cc2c(cc1O)c(=O)[nH]cn2 AB07313 [0,1,0,0,0,0|2,0,0]=3 182 B13R2.162 c1cc2c(cc1O)c(ncn2)Cl MB06082 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [0,1,0,0,0,0|3,0,0]=4 184 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [0,1,0,0,0,0|3,0,0]=4 185 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [0,1,0,0,0,0|3,0,0]=4 188 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [0,1,0,0,0,0|3,0,0]=4 189 B13R2.328 CC1=NC(=O)C2=C(=C1)C=CC=C2 MB02879 [0,1,0,0,0,0|2,0,1]=4 190 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [0,1,0,0,0,0|2,0,0]=3 191 B13R2.328 Cc1cc(cc2c1nccn2)Br MB15073 [0,1,0,0,0,0|2,0,0]=3 192 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [0,1,0,0,0,0|3,0,0]=4 193 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [0,1,0,0,0,0|3,0,0]=4 194 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [0,1,0,0,0,0|3,0,0]=4 195 B13R2.328 c1cc2c(c(nc(n2)Cl)Cl)nc1 PB22455 [0,1,0,0,0,0|3,0,0]=4 196 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [0,1,0,0,0,0|3,0,0]=4 198 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [0,1,0,0,0,0|3,0,0]=4 199 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [0,1,0,0,0,0|3,0,0]=4 200 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [0,1,0,0,0,0|3,0,0]=4 201 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [0,1,0,0,0,0|3,0,0]=4 202 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [0,1,0,0,0,0|3,0,0]=4 203 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [0,1,0,0,0,0|3,0,0]=4 204 B13R2.369 CC1C(=O)Nc2c(cccn2)O1 AB65764 [0,1,0,0,0,0|2,0,1]=4 205 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,1,0,0,0,0|3,0,0]=4 206 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,1,0,0,0,0|2,0,0]=3 207 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,1,0,0,0,0|3,0,0]=4 208 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,1,0,0,0,0|3,0,0]=4 209 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,1,0,0,0,0|2,0,0]=3 210 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,1,0,0,0,0|2,0,0]=3 211 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [0,1,0,0,0,0|0,0,1]=2 212 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,0,0,0|2,0,1]=4 213 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,1,0,0,0,0|1,0,2]=4 214 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [0,1,0,0,0,0|0,0,0]=1 215 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [0,1,0,0,0,0|0,0,0]=1 216 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [0,1,0,0,0,0|1,0,0]=2 217 B13R2.3683 Cc1ccc2c(c1)nnc(n2)N MB00344 [0,1,0,0,0,0|2,0,0]=3 218 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [0,1,0,0,0,0|1,0,0]=2 219 B13R2.3683 c1c(cnc2=NC(=O)CC=c21)Br AB64025 [0,1,0,0,0,0|2,0,1]=4 220 B13R2.3683 c1c2cnc(nc2ncc1Br)Cl PB16615 [0,1,0,0,0,0|3,0,0]=4 221 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [0,1,0,0,0,0|3,0,0]=4 222 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [0,1,0,0,0,0|3,0,0]=4 223 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [0,1,0,0,0,0|3,0,0]=4 224 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [0,1,0,0,0,0|3,0,0]=4 225 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [0,1,0,0,0,0|3,0,0]=4 226 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [0,1,0,0,0,0|3,0,0]=4 227 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [0,1,0,0,0,0|1,0,0]=2 228 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [0,1,0,0,0,0|1,0,0]=2 229 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [0,1,0,0,0,0|1,0,0]=2 230 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [0,1,0,0,0,0|1,0,0]=2 231 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [0,1,0,0,0,0|1,0,0]=2 232 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [0,1,0,0,0,0|1,0,0]=2 233 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [0,1,0,0,0,0|1,0,0]=2 234 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [0,1,0,0,0,0|1,0,0]=2 235 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Br AB68437 [0,1,0,0,0,0|2,0,0]=3 236 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl PB30962 [0,1,0,0,0,0|2,0,0]=3 237 B13R2.3683 c1cc(nc2c1cc(cn2)Br)N AB54756 [0,1,0,0,0,0|2,0,0]=3 238 B13R2.3683 c1cc(nc2c1nc(cc2)Br)Br AB05216 [0,1,0,0,0,0|2,0,0]=3 239 B13R2.3683 c1cc(nc2c1nc(cc2)Cl)Cl AB16862 [0,1,0,0,0,0|2,0,0]=3 240 B13R2.3683 c1cc(nc2c1nc(nc2)Cl)Cl AB68433 [0,1,0,0,0,0|3,0,0]=4 241 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,1,0,0,0,0|1,0,1]=3 242 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [0,1,0,0,0,0|1,0,1]=3 243 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [0,1,0,0,0,0|1,0,1]=3 244 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,1,0,0,0,0|1,0,1]=3 245 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl PB14676 [0,1,0,0,0,0|2,0,0]=3 246 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N AB17886 [0,1,0,0,0,0|2,0,0]=3 247 B13R2.3683 c1cc2c(cc1Br)ncc(n2)Cl PB25125 [0,1,0,0,0,0|2,0,0]=3 248 B13R2.3683 c1cc2c(cc1Br)ncc(n2)N MB09957 [0,1,0,0,0,0|2,0,0]=3 249 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [0,1,0,0,0,0|2,0,0]=3 250 B13R2.3683 c1cc2c(cc1Br)nnc(n2)N MB09368 [0,1,0,0,0,0|3,0,0]=4 251 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [0,1,0,0,0,0|2,0,0]=3 252 B13R2.3683 c1cc2c(cc1Cl)nnc(n2)N MB00343 [0,1,0,0,0,0|3,0,0]=4 253 B13R2.3683 c1cc2c(cc1F)nnc(n2)N MB00339 [0,1,0,0,0,0|3,0,0]=4 254 B13R2.3683 c1cc2c(cc1O)nnc(n2)N MB10248 [0,1,0,0,0,0|3,0,0]=4 255 B13R2.5179 Cc1cc2cc[nH]c(=O)c2cn1 AB64229 [0,1,0,0,0,0|3,0,0]=4 256 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [0,1,0,0,0,0|2,0,0]=3 257 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [0,1,0,0,0,0|2,0,0]=3 258 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [0,1,0,0,0,0|2,0,0]=3 259 B13R2.5179 Cc1ccc2c(c1)nc[nH]c2=O MB08805 [0,1,0,0,0,0|3,0,0]=4 260 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl AB59114 [0,1,0,0,0,0|3,0,0]=4 261 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [0,1,0,0,0,0|2,0,0]=3 262 B13R2.5179 Cc1ccc2c(n1)cc[nH]c2=O AB85004 [0,1,0,0,0,0|3,0,0]=4 263 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [0,1,0,0,0,0|2,0,0]=3 264 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br AB39354 [0,1,0,0,0,0|3,0,0]=4 265 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl AB42154 [0,1,0,0,0,0|3,0,0]=4 266 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1F AB55620 [0,1,0,0,0,0|3,0,0]=4 267 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N PB11021 [0,1,0,0,0,0|3,0,0]=4 268 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [0,1,0,0,0,0|3,0,0]=4 269 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [0,1,0,0,0,0|3,0,0]=4 270 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [0,1,0,0,0,0|3,0,0]=4 271 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [0,1,0,0,0,0|3,0,0]=4 272 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [0,1,0,0,0,0|3,0,0]=4 273 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [0,1,0,0,0,0|3,0,0]=4 274 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [0,1,0,0,0,0|3,0,0]=4 275 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [0,1,0,0,0,0|3,0,0]=4 276 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [0,1,0,0,0,0|3,0,0]=4 277 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [0,1,0,0,0,0|3,0,0]=4 278 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [0,1,0,0,0,0|3,0,0]=4 279 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [0,1,0,0,0,0|3,0,0]=4 280 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [0,1,0,0,0,0|3,0,0]=4 281 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [0,1,0,0,0,0|3,0,0]=4 282 B13R2.5179 c1cc2c(ccnc2cc1Br)N AB25141 [0,1,0,0,0,0|3,0,0]=4 283 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [0,1,0,0,0,0|3,0,0]=4 284 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [0,1,0,0,0,0|3,0,0]=4 285 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [0,1,0,0,0,0|3,0,0]=4 286 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [0,1,0,0,0,0|3,0,0]=4 287 B13R2.5179 c1cc2c(ccnc2cc1F)N AB43465 [0,1,0,0,0,0|3,0,0]=4 288 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [0,1,0,0,0,0|3,0,0]=4 289 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,0,1,0,0,0|2,0,1]=4 291 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,0,1,0,0,0|1,0,2]=4 292 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,0,1,0,0,0|3,0,0]=4 293 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,1,0,0,0|2,0,0]=3 294 B11R2.1 CC1=NN=C2=C1C=CC=N2 PB22220 [0,0,0,0,1,0|2,0,1]=4 295 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,0,1,0|1,0,1]=3 296 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,0,1,0|3,0,0]=4 297 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,0,0,0,1,0|3,0,0]=4 298 B11R2.1 c1cc2c(cnn2nc1)Br PB15135 [0,0,0,0,1,0|3,0,0]=4 299 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,0,1,0|1,0,2]=4 300 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,0,1,0|2,0,1]=4 301 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,0,1,0|3,0,0]=4 302 B11R2.1 c1cn2c(c1Br)cncn2 PB35477 [0,0,0,0,1,0|3,0,0]=4 303 B11R2.1 c1cnc2ncc(n2c1)Br AB23077 [0,0,0,0,1,0|3,0,0]=4 304 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [0,0,0,0,1,0|1,0,1]=3 305 B11R2.10 CC1=NC2=C(=C1)C=NC=N2 AB68262 [0,0,0,0,1,0|2,0,1]=4 306 B11R2.10 CC1=NC2=C(=N1)C=CC=N2 AB26094 [0,0,0,0,1,0|2,0,1]=4 307 B11R2.10 Cc1cc2ncccn2n1 AB44285 [0,0,0,0,1,0|2,0,0]=3 308 B11R2.10 Cc1cn2ccccc2n1 MB02386 [0,0,0,0,1,0|3,0,0]=4 309 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,0,0,0,1,0|2,0,0]=3 310 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,0,0,0,1,0|3,0,0]=4 311 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,0,0,0,1,0|3,0,0]=4 312 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,0,1,0|2,0,1]=4 313 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,0,1,0|2,0,1]=4 314 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,0,0,0,1,0|3,0,0]=4 315 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,0,0,0,1,0|3,0,0]=4 316 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [0,0,0,0,1,0|3,0,0]=4 317 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,0,0,0,1,0|3,0,0]=4 318 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [0,0,0,0,1,0|3,0,0]=4 319 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [0,0,0,0,1,0|3,0,0]=4 320 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [0,0,0,0,1,0|3,0,0]=4 321 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [0,0,0,0,1,0|3,0,0]=4 322 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,0,0,0,1,0|3,0,0]=4 323 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [0,0,0,0,1,0|1,0,1]=3 324 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [0,0,0,0,1,0|1,0,1]=3 325 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [0,0,0,0,1,0|1,0,1]=3 326 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [0,0,0,0,1,0|1,0,1]=3 327 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [0,0,0,0,1,0|1,0,1]=3 328 B11R2.36 C1C=C(C=C2C1=NC=N2)Cl MB04649 [0,0,0,0,1,0|2,0,1]=4 329 B11R2.36 C1C=C(C=C2C1=NC=N2)F AB07100 [0,0,0,0,1,0|2,0,1]=4 330 B11R2.36 C1C=C(C=C2C1=NC=N2)I AB25990 [0,0,0,0,1,0|2,0,1]=4 331 B11R2.36 C1C=C(C=C2C1=NN=C2)Br PB14191 [0,0,0,0,1,0|2,0,1]=4 332 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [0,0,0,0,1,0|2,0,1]=4 333 B11R2.36 C1C=C(C=C2C1=NN=C2)F PB29333 [0,0,0,0,1,0|2,0,1]=4 334 B11R2.36 C1C=C(C=C2C1=NN=C2)I PB10471 [0,0,0,0,1,0|2,0,1]=4 335 B11R2.36 C1C=C(C=C2C1=NN=C2)N AB01685 [0,0,0,0,1,0|2,0,1]=4 336 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [0,0,0,0,1,0|2,0,1]=4 337 B11R2.36 C1C=C2C(=CC=N2)N=C1Br PB22217 [0,0,0,0,1,0|2,0,1]=4 338 B11R2.36 C1C=C2C(=CC=N2)N=C1Cl PB26323 [0,0,0,0,1,0|2,0,1]=4 339 B11R2.36 C1C=C2C(=CC=N2)N=C1N AB52502 [0,0,0,0,1,0|2,0,1]=4 340 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [0,0,0,0,1,0|2,0,1]=4 341 B11R2.36 C1C=C2C=CN=C2C=C1Br PB27487 [0,0,0,0,1,0|2,0,1]=4 342 B11R2.36 C1C=C2C=CN=C2C=C1F PB12993 [0,0,0,0,1,0|2,0,1]=4 343 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [0,0,0,0,1,0|2,0,1]=4 344 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,0,0,0,1,0|0,0,1]=2 345 B11R2.36 CC1=CC2C=NN=C2C=C1 MB01911 [0,0,0,0,1,0|1,0,1]=3 346 B11R2.36 CC1=CN=C2C=CN=C2C1 PB12030 [0,0,0,0,1,0|2,0,1]=4 347 B11R2.36 CC1=NC2C=NN=C2C=C1 AB58377 [0,0,0,0,1,0|2,0,1]=4 348 B11R2.36 CC1=NC=C2C=CN=C2C1 PB19033 [0,0,0,0,1,0|2,0,1]=4 349 B11R2.36 Cc1cc2nccn2cn1 AB55008 [0,0,0,0,1,0|3,0,0]=4 350 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,0,0,0,1,0|1,0,2]=4 351 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,0,0,0,1,0|1,0,1]=3 352 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,0,0,0,1,0|2,0,1]=4 353 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,0,0,0,1,0|1,0,2]=4 354 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,0,0,0,1,0|1,0,0]=2 355 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,0,0,0,1,0|1,0,0]=2 356 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,0,0,0,1,0|2,0,1]=4 357 B11R2.36 Cc1ccn2c(n1)ccn2 AB63891 [0,0,0,0,1,0|2,0,0]=3 358 B11R2.36 Cc1ccn2c(n1)ncn2 AB03205 [0,0,0,0,1,0|3,0,0]=4 359 B11R2.36 Cc1ccn2ccnc2n1 AB43723 [0,0,0,0,1,0|3,0,0]=4 360 B11R2.36 Cc1cnc2ccnn2c1 AB62554 [0,0,0,0,1,0|3,0,0]=4 361 B11R2.36 Cc1cnc2nccn2c1 AB55753 [0,0,0,0,1,0|2,0,0]=3 362 B11R2.36 c1c(cnc2=NCC=c21)Br PB15851 [0,0,0,0,1,0|2,0,1]=4 363 B11R2.36 c1c(cnc2=NCC=c21)Cl PB24925 [0,0,0,0,1,0|2,0,1]=4 364 B11R2.36 c1c(cnc2=NCC=c21)F PB12380 [0,0,0,0,1,0|2,0,1]=4 365 B11R2.36 c1c(cnc2=NCC=c21)I PB32449 [0,0,0,0,1,0|2,0,1]=4 366 B11R2.36 c1c(cnc2=NCC=c21)N PB34142 [0,0,0,0,1,0|2,0,1]=4 367 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,0,0,0,1,0|2,0,1]=4 368 B11R2.36 c1c2=CCN=c2cnc1Br PB17911 [0,0,0,0,1,0|2,0,1]=4 369 B11R2.36 c1c2=CCN=c2cnc1Cl PB34486 [0,0,0,0,1,0|2,0,1]=4 370 B11R2.36 c1c2=CCN=c2cnc1N PB12201 [0,0,0,0,1,0|2,0,1]=4 371 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,0,0,0,1,0|2,0,0]=3 372 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,0,0,0,1,0|2,0,0]=3 373 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,0,0,0,1,0|2,0,0]=3 374 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,0,0,0,1,0|2,0,0]=3 375 B11R2.36 c1cc(cn2c1ccn2)Br PB33438 [0,0,0,0,1,0|3,0,0]=4 376 B11R2.36 c1cc(nc2c1nco2)Br AB77477 [0,0,0,0,1,0|3,0,0]=4 377 B11R2.36 c1cc(nc2c1nco2)Cl AB77475 [0,0,0,0,1,0|3,0,0]=4 378 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,0,0,0,1,0|3,0,0]=4 379 B11R2.36 c1cc(nn2c1ncc2)Br PB16486 [0,0,0,0,1,0|3,0,0]=4 380 B11R2.36 c1cc(nn2c1ncc2)Cl PB24991 [0,0,0,0,1,0|3,0,0]=4 381 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,0,0,0,1,0|3,0,0]=4 382 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [0,0,0,0,1,0|2,0,0]=3 383 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,0,0,0,1,0|3,0,0]=4 384 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,0,0,0,1,0|3,0,0]=4 385 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,0,0,0,1,0|2,0,0]=3 386 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,0,0,0,1,0|2,0,0]=3 387 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,0,0,0,1,0|3,0,0]=4 388 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,0,0,0,1,0|2,0,0]=3 389 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,0,0,0,1,0|3,0,0]=4 390 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,0,0,0,1,0|2,0,0]=3 391 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,0,0,0,1,0|2,0,0]=3 392 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,0,0,0,1,0|3,0,0]=4 393 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,0,0,0,1,0|3,0,0]=4 394 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,0,0,0,1,0|2,0,0]=3 395 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,0,0,0,1,0|3,0,0]=4 396 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,0,0,0,1,0|2,0,0]=3 397 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,0,0,0,1,0|3,0,0]=4 398 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,0,0,0,1,0|3,0,0]=4 399 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,0,0,0,1,0|3,0,0]=4 400 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,0,0,0,1,0|3,0,0]=4 401 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,0,0,0,1,0|2,0,0]=3 402 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,0,0,0,1,0|2,0,0]=3 403 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,0,0,0,1,0|2,0,0]=3 404 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,0,0,0,1,0|2,0,0]=3 405 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,0,0,0,1,0|2,0,0]=3 406 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,0,0,0,1,0|2,0,0]=3 407 B11R2.36 c1cc2cnoc2cc1Br AB25994 [0,0,0,0,1,0|3,0,0]=4 408 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,0,0,0,1,0|3,0,0]=4 409 B11R2.36 c1cc2cnoc2cc1N AB26008 [0,0,0,0,1,0|3,0,0]=4 410 B11R2.36 c1cc2cnsc2cc1Br MB19419 [0,0,0,0,1,0|3,0,0]=4 411 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,0,0,0,1,0|3,0,0]=4 412 B11R2.36 c1cc2conc2cc1Br MB19398 [0,0,0,0,1,0|3,0,0]=4 413 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,0,0,0,1,0|3,0,0]=4 414 B11R2.36 c1cc2nccn2cc1Br PB20174 [0,0,0,0,1,0|2,0,0]=3 415 B11R2.36 c1cc2nccn2cc1Cl AB21919 [0,0,0,0,1,0|2,0,0]=3 416 B11R2.36 c1cc2nccn2cc1N PB12399 [0,0,0,0,1,0|2,0,0]=3 417 B11R2.36 c1cc2nccn2cc1O AB28902 [0,0,0,0,1,0|2,0,0]=3 418 B11R2.36 c1cc2nccn2nc1N AB61144 [0,0,0,0,1,0|3,0,0]=4 419 B11R2.36 c1cc2ncnn2cc1Br PB12540 [0,0,0,0,1,0|3,0,0]=4 420 B11R2.36 c1cc2nncn2cc1Br PB10571 [0,0,0,0,1,0|3,0,0]=4 421 B11R2.36 c1cn2c(cc1Br)cnn2 MB09890 [0,0,0,0,1,0|3,0,0]=4 422 B11R2.36 c1cn2c(cc1Br)ncn2 PB32891 [0,0,0,0,1,0|3,0,0]=4 423 B11R2.36 c1cn2cc(cnc2n1)Br PB14681 [0,0,0,0,1,0|3,0,0]=4 424 B11R2.36 c1cn2cc(cnc2n1)Cl AB56410 [0,0,0,0,1,0|3,0,0]=4 425 B11R2.36 c1cn2cc(cnc2n1)N AB56414 [0,0,0,0,1,0|3,0,0]=4 426 B11R2.36 c1cn2cc(ncc2n1)Br PB23663 [0,0,0,0,1,0|3,0,0]=4 427 B11R2.36 c1cn2cc(ncc2n1)Cl AB54752 [0,0,0,0,1,0|3,0,0]=4 428 B11R2.36 c1cn2ccnc2cc1Br PB30948 [0,0,0,0,1,0|3,0,0]=4 429 B11R2.36 c1cn2ccnc2cc1Cl PB34290 [0,0,0,0,1,0|3,0,0]=4 430 B11R2.36 c1cn2ccnc2cc1N PB20545 [0,0,0,0,1,0|3,0,0]=4 431 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [0,0,0,0,1,0|3,0,0]=4 432 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [0,0,0,0,1,0|2,0,0]=3 433 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [0,0,0,0,1,0|2,0,0]=3 434 B11R2.36 c1cnn2c1nc(cc2)Cl PB23376 [0,0,0,0,1,0|3,0,0]=4 435 B11R2.36 c1cnn2c1nc(cc2)I PB28294 [0,0,0,0,1,0|3,0,0]=4 436 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [0,0,0,0,1,0|3,0,0]=4 437 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,0,0,0,1,0|3,0,0]=4 438 B11R2.36 c1csc2c1cc(cn2)N PB15184 [0,0,0,0,1,0|3,0,0]=4 439 B11R2.36 c1csc2c1cc(nc2)Cl PB13799 [0,0,0,0,1,0|3,0,0]=4 440 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,0,1,0,0,0|1,0,1]=4 441 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,0,1,0,0,0|1,0,0]=3 442 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,0,1,0,0,0|2,0,0]=4 443 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,0,1,0,0,0|2,0,0]=4 444 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,0,1,0,0,0|2,0,0]=4 445 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,0,1,0,0,0|1,0,1]=4 446 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,0,1,0,0,0|2,0,0]=4 447 B10R1.20 COc1cccnc1C=O AB22246 [1,0,1,0,0,0|2,0,0]=4 448 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [1,0,1,0,0,0|2,0,0]=4 449 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [1,0,1,0,0,0|1,0,1]=4 450 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,1,0,0,0|1,0,1]=4 451 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,1,0,0,0|1,0,1]=4 452 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,1,0,0,0|2,0,0]=4 453 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [1,1,0,0,0,0|2,0,0]=4 454 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [1,1,0,0,0,0|1,0,0]=3 455 B12R2.1081 c1cc(c2c(c1)nccn2)N AB09749 [1,1,0,0,0,0|1,0,0]=3 456 B12R2.1081 c1cc(c2cncnc2c1)N AB60734 [1,1,0,0,0,0|1,0,0]=3 457 B12R2.1081 c1cc2c(=O)[nH]cnc2nc1 PB19911 [1,1,0,0,0,0|2,0,0]=4 458 B12R2.1081 c1cc2c(c(=O)[nH]cn2)nc1 AB11918 [1,1,0,0,0,0|2,0,0]=4 459 B12R2.1081 c1cc2c(c(ccn2)Br)nc1 MB10238 [1,1,0,0,0,0|1,0,0]=3 460 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 PB22412 [1,1,0,0,0,0|2,0,0]=4 461 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 PB11849 [1,1,0,0,0,0|1,0,0]=3 462 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [1,1,0,0,0,0|0,0,0]=2 463 B12R2.1081 c1cc2c(ccnc2Br)nc1 MB01013 [1,1,0,0,0,0|1,0,0]=3 464 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [1,1,0,0,0,0|1,0,0]=3 465 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [1,1,0,0,0,0|1,0,0]=3 466 B12R2.1081 c1cc2c(ccnc2nc1)Br AB64248 [1,1,0,0,0,0|1,0,0]=3 467 B12R2.1081 c1cc2c(ccnc2nc1)Cl MB05961 [1,1,0,0,0,0|1,0,0]=3 468 B12R2.1081 c1cc2c(ccnc2nc1)N AB22452 [1,1,0,0,0,0|1,0,0]=3 469 B12R2.1081 c1cc2c(cncn2)c(c1)Br PB25306 [1,1,0,0,0,0|1,0,0]=3 470 B12R2.1081 c1cc2c(cncn2)c(c1)O AB07778 [1,1,0,0,0,0|1,0,0]=3 471 B12R2.1081 c1cc2c(nc1)ncnc2Cl PB26181 [1,1,0,0,0,0|2,0,0]=4 472 B12R2.1081 c1cc2cc[nH]c(=O)c2nc1 AB64971 [1,1,0,0,0,0|1,0,0]=3 473 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [1,1,0,0,0,0|0,0,0]=2 474 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [1,1,0,0,0,0|1,0,0]=3 475 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [1,1,0,0,0,0|1,0,0]=3 476 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [1,1,0,0,0,0|1,0,0]=3 477 B12R2.1081 c1cc2ccncc2c(c1)Br MB03403 [1,1,0,0,0,0|2,0,0]=4 478 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [1,1,0,0,0,0|2,0,0]=4 479 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [1,1,0,0,0,0|1,0,0]=3 480 B12R2.1081 c1cc2cnccc2c(c1)Br AB09627 [1,1,0,0,0,0|2,0,0]=4 481 B12R2.1081 c1cc2cncnc2c(c1)N AB49290 [1,1,0,0,0,0|1,0,0]=3 482 B12R2.1081 c1cc2cncnc2c(c1)O AB07782 [1,1,0,0,0,0|1,0,0]=3 483 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [1,1,0,0,0,0|1,0,1]=4 484 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [1,1,0,0,0,0|0,0,0]=2 485 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [1,1,0,0,0,0|0,0,0]=2 486 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [1,1,0,0,0,0|1,0,0]=3 487 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [1,1,0,0,0,0|1,0,0]=3 488 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [1,1,0,0,0,0|2,0,0]=4 489 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [1,1,0,0,0,0|2,0,0]=4 490 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [1,1,0,0,0,0|2,0,0]=4 491 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [1,1,0,0,0,0|2,0,0]=4 492 B12R2.1081 c1cnc(c2c1nccn2)Cl AB48705 [1,1,0,0,0,0|2,0,0]=4 493 B12R2.1081 c1cnc(c2c1nccn2)N AB53421 [1,1,0,0,0,0|2,0,0]=4 494 B12R2.1081 c1cnc2ccncc2c1N AB09610 [1,1,0,0,0,0|1,0,0]=3 495 B12R2.1081 c1cncc2c1C(=O)CC=N2 PB16378 [1,1,0,0,0,0|1,0,1]=4 496 B12R2.1081 c1cncc2c1c(ccn2)Cl PB25673 [1,1,0,0,0,0|1,0,0]=3 497 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [1,1,0,0,0,0|2,0,0]=4 498 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [1,1,0,0,0,0|2,0,0]=4 499 B12R2.1081 c1cncc2c1nccc2Cl PB28088 [1,1,0,0,0,0|1,0,0]=3 500 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [1,1,0,0,0,0|2,0,0]=4 501 B12R2.1 c1cnc2ncc(n2c1)CCl AB55734 [0,1,0,0,1,0|2,0,0]=4 502 B12R2.1 c1cnc2ncc(n2c1)CN AB55746 [0,1,0,0,1,0|2,0,0]=4 503 B12R2.132 CC1=c2cc(cnc2=NC1)Br PB21371 [0,1,0,0,1,0|1,0,1]=4 504 B12R2.132 CC1=c2cc(cnc2=NC1)Cl PB11666 [0,1,0,0,1,0|1,0,1]=4 505 B12R2.132 CC1=c2cc(cnc2=NC1)N PB33519 [0,1,0,0,1,0|1,0,1]=4 506 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,0,1,0|2,0,0]=4 507 B12R2.132 Cn1c2cc(cnc2cn1)Br PB29918 [0,1,0,0,1,0|2,0,0]=4 508 B12R2.132 Cn1ccc2c1cc(cc2)N AB55988 [0,1,0,0,1,0|2,0,0]=4 509 B12R2.196 Cn1ccc2c1cccc2N AB43235 [0,1,0,0,1,0|2,0,0]=4 510 B12R2.203 CC1=c2c(ccnc2=NC1)Br PB38010 [0,1,0,0,1,0|1,0,1]=4 511 B12R2.203 CC1=c2c(ccnc2=NC1)Cl PB24207 [0,1,0,0,1,0|1,0,1]=4 512 B12R2.203 CC1=c2c(ccnc2=NC1)N PB35533 [0,1,0,0,1,0|1,0,1]=4 513 B12R2.203 Cc1ccn2c1c(ncn2)Cl PB16527 [0,1,0,0,1,0|2,0,0]=4 514 B12R2.203 Cc1ccn2c1c(ncn2)O PB13981 [0,1,0,0,1,0|2,0,0]=4 515 B12R2.203 Cc1coc2c1c(ncn2)N AB65972 [0,1,0,0,1,0|2,0,0]=4 516 B12R2.203 Cc1csc2c1c(ncn2)Cl PB32174 [0,1,0,0,1,0|2,0,0]=4 517 B12R2.203 Cn1ccc2c1c(ncn2)Cl PB25493 [0,1,0,0,1,0|2,0,0]=4 518 B12R2.612 CC1=c2ccc(nc2=NC1)Cl PB16760 [0,1,0,0,1,0|1,0,1]=4 519 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,1,0,0,1,0|2,0,0]=4 520 B12R2.2028 Cn1cc(c2c1nccc2)Br AB51141 [0,1,0,0,1,0|2,0,0]=4 521 B12R2.2028 c1cc2c(nc1)C(=O)NC2=O AB01342 [0,1,0,0,1,0|2,0,0]=4 522 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,1,0,0,1,0|2,0,0]=4 523 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [0,1,0,0,1,0|2,0,0]=4 524 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [0,1,0,0,1,0|2,0,0]=4 525 B12R2.32 c1cnc2cc(nn2c1)CBr AB51146 [0,1,0,0,1,0|2,0,0]=4 526 B12R2.32 c1cnc2nc(cn2c1)CCl AB22463 [0,1,0,0,1,0|2,0,0]=4 527 B12R2.32 c1cnc2nc(cn2c1)CN AB26753 [0,1,0,0,1,0|2,0,0]=4 528 B12R2.202 CC1=NC2=C(=C1)C(=CC=N2)Br PB26995 [0,1,0,0,1,0|1,0,1]=4 529 B12R2.202 CC1=NC2=C(=C1)C(=CC=N2)Cl PB15118 [0,1,0,0,1,0|1,0,1]=4 530 B12R2.202 CC1=NC2=C(=C1)C(=CC=N2)O PB16522 [0,1,0,0,1,0|1,0,1]=4 531 B12R2.202 Cc1cc2c(ncnc2o1)O AB63964 [0,1,0,0,1,0|2,0,0]=4 532 B12R2.202 Cc1cc2c(ncnc2s1)N AB43586 [0,1,0,0,1,0|2,0,0]=4 533 B12R2.202 Cc1cc2c(ncnc2s1)O AB17509 [0,1,0,0,1,0|2,0,0]=4 534 B12R2.202 Cc1cc2c(o1)c(ccn2)Cl PB30214 [0,1,0,0,1,0|1,0,0]=3 535 B12R2.202 Cc1cc2c(o1)ncnc2Cl AB63965 [0,1,0,0,1,0|2,0,0]=4 536 B12R2.202 Cc1cc2c(s1)c(ccn2)Cl PB11255 [0,1,0,0,1,0|1,0,0]=3 537 B12R2.202 Cc1cc2c(s1)c(ncn2)Cl PB16682 [0,1,0,0,1,0|2,0,0]=4 538 B12R2.202 Cc1cc2c(s1)ncnc2Cl PB27587 [0,1,0,0,1,0|2,0,0]=4 539 B12R2.202 Cc1cc2nccc(n2n1)Cl AB62880 [0,1,0,0,1,0|2,0,0]=4 540 B12R2.202 c1cnc2cc(oc2c1Cl)I PB30219 [0,1,0,0,1,0|2,0,0]=4 541 B12R2.202 c1cnc2cc(sc2c1Cl)Br PB11187 [0,1,0,0,1,0|2,0,0]=4 542 B12R2.202 c1cnc2cc(sc2c1Cl)I PB17532 [0,1,0,0,1,0|2,0,0]=4 543 B12R2.606 CC1=NC2=C(=C1)C=C(C=N2)Br PB18134 [0,1,0,0,1,0|1,0,1]=4 544 B12R2.606 CC1=NC2=C(=C1)C=C(C=N2)N PB29818 [0,1,0,0,1,0|1,0,1]=4 545 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,1,0,0,1,0|2,0,0]=4 546 B12R2.606 Cc1cc2nc(ccn2n1)Cl PB12893 [0,1,0,0,1,0|2,0,0]=4 547 B12R2.606 Cc1cc2ncc(cn2n1)Br PB20428 [0,1,0,0,1,0|2,0,0]=4 548 B12R2.606 Cc1cn2cc(cnc2n1)Br MB11468 [0,1,0,0,1,0|2,0,0]=4 549 B12R2.606 Cc1nc2c(o1)cc(cn2)Br AB63472 [0,1,0,0,1,0|2,0,0]=4 550 B12R2.606 Cc1nc2c(o1)ccc(n2)Br AB63468 [0,1,0,0,1,0|2,0,0]=4 551 B12R2.606 Cc1nc2cc(cnc2o1)Br AB40955 [0,1,0,0,1,0|2,0,0]=4 552 B12R2.606 Cc1nc2cc(cnc2o1)Cl AB41020 [0,1,0,0,1,0|2,0,0]=4 553 B12R2.606 Cc1nc2cc(cnc2s1)Br AB40958 [0,1,0,0,1,0|2,0,0]=4 554 B12R2.606 Cc1nc2cc(cnc2s1)Cl AB41024 [0,1,0,0,1,0|2,0,0]=4 555 B12R2.606 Cn1cc2cc(cnc2n1)Br PB11425 [0,1,0,0,1,0|2,0,0]=4 556 B12R2.606 Cn1cc2cc(cnc2n1)N PB36048 [0,1,0,0,1,0|2,0,0]=4 557 B12R2.606 c1cc(nc2c1cc(s2)Br)Cl AB48721 [0,1,0,0,1,0|2,0,0]=4 558 B12R2.44 C#CC1=CC2C=CN=C2C=C1 AB64484 [0,1,0,0,1,0|0,0,2]=4 559 B12R2.44 C1C=C(C=C2C1=NC=C2)C#N PB25883 [0,1,0,0,1,0|0,0,2]=4 560 B12R2.44 C1C=C(C=C2C1=NC=C2)C=O AB10798 [0,1,0,0,1,0|0,0,2]=4 561 B12R2.44 C1C=C(C=C2C1=NC=C2)CN AB09848 [0,1,0,0,1,0|0,0,1]=3 562 B12R2.44 C1C=C(C=C2C1=NC=C2)CO AB11366 [0,1,0,0,1,0|0,0,1]=3 563 B12R2.44 C1C=C(C=C2C1=NC=N2)CN AB51535 [0,1,0,0,1,0|1,0,1]=4 564 B12R2.44 C1C=C(C=C2C1=NN=C2)CCl AB58150 [0,1,0,0,1,0|1,0,1]=4 565 B12R2.44 C1C=C(C=C2C1=NN=C2)CN PB26424 [0,1,0,0,1,0|1,0,1]=4 566 B12R2.44 C1C=C(C=C2C1=NN=C2)CO PB23384 [0,1,0,0,1,0|1,0,1]=4 567 B12R2.44 C1C=C2C=CN=C2C=C1CO AB11368 [0,1,0,0,1,0|1,0,1]=4 568 B12R2.44 CCC1=CC2C=NN=C2C=C1 MB03487 [0,1,0,0,1,0|1,0,1]=4 569 B12R2.44 COC1=CC2C=CN=C2C=C1 AB00488 [0,1,0,0,1,0|0,0,1]=3 570 B12R2.44 COC1=CC2C=NN=C2C=C1 PB32539 [0,1,0,0,1,0|1,0,1]=4 571 B12R2.44 COC1=NC2C=CN=C2C=C1 PB34310 [0,1,0,0,1,0|1,0,1]=4 572 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,1,0,0,1,0|1,0,1]=4 573 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,1,0,0,1,0|1,0,0]=3 574 B12R2.44 c1c(cnc2=NCC=c21)CCl AB45580 [0,1,0,0,1,0|1,0,1]=4 575 B12R2.44 c1c(cnc2=NCC=c21)CN AB48218 [0,1,0,0,1,0|1,0,1]=4 576 B12R2.44 c1c(cnc2=NCC=c21)CN PB32730 [0,1,0,0,1,0|1,0,1]=4 577 B12R2.44 c1c(cnc2=NCC=c21)CO PB27930 [0,1,0,0,1,0|1,0,1]=4 578 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [0,1,0,0,1,0|1,0,1]=4 579 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,1,0,0,1,0|1,0,1]=4 580 B12R2.44 c1cc2c(cc1C#N)scn2 AB26026 [0,1,0,0,1,0|1,0,1]=4 581 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,1,0,0,1,0|1,0,1]=4 582 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,1,0,0,1,0|1,0,1]=4 583 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,1,0,0,1,0|1,0,0]=3 584 B12R2.44 c1cc2c(ccs2)cc1C#N MB03564 [0,1,0,0,1,0|1,0,1]=4 585 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,1,0,0,1,0|1,0,1]=4 586 B12R2.44 c1cc2nccn2cc1C#N PB20190 [0,1,0,0,1,0|1,0,1]=4 587 B12R2.44 c1cc2nccn2cc1C=O PB22050 [0,1,0,0,1,0|1,0,1]=4 588 B12R2.44 c1cc2nccn2cc1CN AB44926 [0,1,0,0,1,0|1,0,0]=3 589 B12R2.44 c1cc2nccn2cc1CO PB13061 [0,1,0,0,1,0|1,0,0]=3 590 B12R2.44 c1cn2cc(cnc2n1)CN AB61253 [0,1,0,0,1,0|2,0,0]=4 591 B12R2.44 c1cn2ccnc2cc1CO PB28425 [0,1,0,0,1,0|2,0,0]=4 592 B12R2.82 C1C=C2C(=CC=N2)C(=C1Cl)F AB08025 [0,1,0,0,1,0|1,0,1]=4 593 B12R2.82 C1C=C2C(=CC=N2)C(=C1F)Cl MB12195 [0,1,0,0,1,0|1,0,1]=4 594 B12R2.82 C1C=C2C(=CC=N2)C(=C1F)F MB02141 [0,1,0,0,1,0|1,0,1]=4 595 B12R2.82 C1C=C2C(=CC=N2)C(=C1O)F AB31790 [0,1,0,0,1,0|1,0,1]=4 596 B12R2.82 CC1=C(C2C=NN=C2C=C1)Br MB09106 [0,1,0,0,1,0|1,0,1]=4 597 B12R2.82 c1cc(c(c2c1cco2)Br)F MB06990 [0,1,0,0,1,0|2,0,0]=4 598 B12R2.100 Cc1cn2c(ccn2)nc1C AB63883 [0,1,0,0,1,0|2,0,0]=4 599 B12R2.100 c1c2=CCN=c2cc(c1Br)F PB17872 [0,1,0,0,1,0|1,0,1]=4 600 B12R2.100 c1c2=CCN=c2cc(c1Cl)Cl PB23210 [0,1,0,0,1,0|1,0,1]=4 601 B12R2.100 c1c2=CCN=c2cc(c1Cl)F MB01658 [0,1,0,0,1,0|1,0,1]=4 602 B12R2.100 c1c2=CCN=c2cc(c1F)Br PB17742 [0,1,0,0,1,0|1,0,1]=4 603 B12R2.100 c1c2=CCN=c2cc(c1F)Cl PB12726 [0,1,0,0,1,0|1,0,1]=4 604 B12R2.100 c1c2=CCN=c2cc(c1F)F MB01663 [0,1,0,0,1,0|1,0,1]=4 605 B12R2.100 c1c2=CCN=c2cc(c1O)Br PB28586 [0,1,0,0,1,0|1,0,1]=4 606 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [0,1,0,0,1,0|1,0,1]=4 607 B12R2.246 Cc1cc(c2c(c1)N=CC2)C AB31499 [0,1,0,0,1,0|1,0,1]=4 608 B12R2.246 Cc1cc(cc2c1occ2)Br MB10399 [0,1,0,0,1,0|2,0,0]=4 609 B12R2.246 Cc1cc(n2c(n1)ccn2)Cl AB50588 [0,1,0,0,1,0|2,0,0]=4 610 B12R2.246 Cc1cc(n2c(n1)ccn2)O AB03426 [0,1,0,0,1,0|2,0,0]=4 611 B12R2.246 Cc1cc2ccoc2c(c1)Br MB10395 [0,1,0,0,1,0|1,0,0]=3 612 B12R2.246 c1c(cc(c2=NCC=c21)F)Br PB10286 [0,1,0,0,1,0|1,0,1]=4 613 B12R2.246 c1c(cc(c2=NCC=c21)F)F MB01671 [0,1,0,0,1,0|1,0,1]=4 614 B12R2.246 c1c(cc(c2=NCC=c21)F)N PB19319 [0,1,0,0,1,0|1,0,1]=4 615 B12R2.246 c1cn2cc(cc(c2n1)N)Br PB26358 [0,1,0,0,1,0|2,0,0]=4 616 B12R2.246 c1coc2c1cc(cc2Br)Br MB10026 [0,1,0,0,1,0|2,0,0]=4 617 B12R2.246 c1coc2c1cc(cc2Br)Cl MB06992 [0,1,0,0,1,0|2,0,0]=4 618 B12R2.246 c1coc2c1cc(cc2Br)F MB06968 [0,1,0,0,1,0|2,0,0]=4 619 B12R2.246 c1coc2c1cc(cc2Br)O MB10400 [0,1,0,0,1,0|2,0,0]=4 620 B12R2.246 c1coc2c1cc(cc2Cl)Br MB10408 [0,1,0,0,1,0|2,0,0]=4 621 B12R2.246 c1coc2c1cc(cc2F)Br MB06987 [0,1,0,0,1,0|2,0,0]=4 622 B12R2.246 c1coc2c1cc(cc2N)Br MB10410 [0,1,0,0,1,0|2,0,0]=4 623 B12R2.246 c1coc2c1cc(cc2O)F AB31653 [0,1,0,0,1,0|2,0,0]=4 624 B14R2.92 c1cc2c(c(cnc2nc1)C#N)Cl PB19550 [0,2,0,0,0,0|1,0,1]=4 625 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB09123 [0,2,0,0,0,0|2,0,0]=4 626 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB42933 [0,2,0,0,0,0|2,0,0]=4 627 B14R2.4513 Cc1ccc2ccc(c(c2n1)C)Cl AB52384 [0,2,0,0,0,0|2,0,0]=4 628 B14R2.4513 Cc1ccc2ccc(nc2c1C)C AB45157 [0,2,0,0,0,0|2,0,0]=4 629 B14R2.4513 Cn1c2cc(ccc2ncc1=O)Br AB56064 [0,2,0,0,0,0|2,0,0]=4 630 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl AB42065 [0,2,0,0,0,0|2,0,0]=4 631 B14R2.8038 Cc1ccc2c(ccnc2c1C)N AB52076 [0,2,0,0,0,0|2,0,0]=4 632 B14R2.8038 Cc1ccc2c(ccnc2c1C)O AB05733 [0,2,0,0,0,0|2,0,0]=4 633 B14R2.8188 Cc1c(nc2ccccc2c1Cl)C AB50456 [0,2,0,0,0,0|2,0,0]=4 634 B14R2.8188 Cc1c(nc2ccccc2c1O)C AB50455 [0,2,0,0,0,0|2,0,0]=4 635 B14R2.8188 c1cc2c(cc(c(c2F)Br)F)nc1 PB31669 [0,2,0,0,0,0|1,0,0]=3 636 B14R2.29369 Cc1ccc2c(c1)ccc(=O)n2C MB01954 [0,2,0,0,0,0|0,0,1]=3 637 B14R2.29369 Cn1c2ccc(cc2ccc1=O)Br MB10578 [0,2,0,0,0,0|1,0,1]=4 638 B14R2.29369 c1cc(c(c2c1nc(nc2)Cl)F)Br PB25559 [0,2,0,0,0,0|2,0,0]=4 639 B14R2.112 CNCc1cc2ccccc2nc1 AB45811 [0,2,0,0,0,0|2,0,0]=4 640 B14R2.112 CNCc1ccc2c(c1)cccn2 AB28133 [0,2,0,0,0,0|0,0,0]=2 641 B14R2.112 CNCc1ccc2ccccc2n1 AB53825 [0,2,0,0,0,0|2,0,0]=4 642 B14R2.112 c1cc2cc(ccc2nc1)CC=O AB57659 [0,2,0,0,0,0|0,0,0]=2 643 B14R2.112 c1ccc2c(c1)cc(cn2)CC=O AB57656 [0,2,0,0,0,0|2,0,0]=4 644 B14R2.112 c1ccc2c(c1)cc(cn2)CCN AB45411 [0,2,0,0,0,0|2,0,0]=4 645 B14R2.112 c1ccc2c(c1)ccc(n2)CC=O AB06466 [0,2,0,0,0,0|2,0,0]=4 646 B14R2.112 c1ccc2c(c1)ccc(n2)CCN AB45414 [0,2,0,0,0,0|2,0,0]=4 647 B14R2.112 c1ccc2cc(ccc2c1)CC=O AB11816 [0,2,0,0,0,0|1,0,0]=3 648 B14R2.112 c1ccc2cc(ccc2c1)CCN AB09173 [0,2,0,0,0,0|1,0,0]=3 649 B14R2.134 CNc1ccc2ccc(cc2n1)Br MB10582 [0,2,0,0,0,0|2,0,0]=4 650 B14R2.134 COc1ccc2c(c1)cc(cn2)Br AB49947 [0,2,0,0,0,0|0,0,0]=2 651 B14R2.134 COc1ccc2c(c1)cc(cn2)N AB42120 [0,2,0,0,0,0|0,0,0]=2 652 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [0,2,0,0,0,0|2,0,0]=4 653 B14R2.134 COc1ccc2ccc(cc2n1)Br MB10600 [0,2,0,0,0,0|2,0,0]=4 654 B14R2.134 Cc1ccc2ccc(cc2n1)OC AB52428 [0,2,0,0,0,0|2,0,0]=4 655 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N MB06812 [0,2,0,0,0,0|1,0,1]=4 656 B14R2.134 c1cc(cc2c1ccc(n2)CCl)Br AB60114 [0,2,0,0,0,0|2,0,0]=4 657 B14R2.134 c1cc(cc2c1ccc(n2)CN)Br AB69959 [0,2,0,0,0,0|2,0,0]=4 658 B14R2.134 c1cc2c(cc1Br)cc(cn2)C=O AB70021 [0,2,0,0,0,0|1,0,0]=3 659 B14R2.134 c1cc2c(cc1Br)cc(cn2)CCl AB70022 [0,2,0,0,0,0|1,0,0]=3 660 B14R2.134 c1cc2c(cc1Br)cc(cn2)CN AB70020 [0,2,0,0,0,0|1,0,0]=3 661 B14R2.134 c1cc2c(cc1C=O)[nH]c(=O)cn2 MB69331 [0,2,0,0,0,0|1,0,1]=4 662 B14R2.134 c1cc2c(cc1F)cc(cn2)C=O AB70025 [0,2,0,0,0,0|1,0,0]=3 663 B14R2.134 c1cc2c(cc1F)cc(cn2)CN AB70028 [0,2,0,0,0,0|1,0,0]=3 664 B14R2.142 CCc1ccc2c(c1)c(ccn2)Cl AB52108 [0,2,0,0,0,0|0,0,0]=2 665 B14R2.142 CCc1ccc2c(c1)c(ccn2)N AB52071 [0,2,0,0,0,0|0,0,0]=2 666 B14R2.142 CCc1ccc2c(c1)c(ccn2)O AB11881 [0,2,0,0,0,0|0,0,0]=2 667 B14R2.142 COc1ccc2c(c1)c(=O)[nH]cn2 MB03481 [0,2,0,0,0,0|1,0,0]=3 668 B14R2.142 COc1ccc2c(c1)c(ccn2)Br AB45030 [0,2,0,0,0,0|0,0,0]=2 669 B14R2.142 COc1ccc2c(c1)c(ccn2)Cl AB01409 [0,2,0,0,0,0|0,0,0]=2 670 B14R2.142 COc1ccc2c(c1)c(ccn2)N AB06274 [0,2,0,0,0,0|0,0,0]=2 671 B14R2.142 COc1ccc2c(c1)c(ccn2)O AB01174 [0,2,0,0,0,0|0,0,0]=2 672 B14R2.142 COc1ccc2c(c1)c(ncn2)Cl PB32431 [0,2,0,0,0,0|1,0,0]=3 673 B14R2.142 COc1ccc2c(c1)c(ncn2)N AB27827 [0,2,0,0,0,0|1,0,0]=3 674 B14R2.142 COc1ccc2c(n1)c(ccn2)Cl PB20315 [0,2,0,0,0,0|1,0,0]=3 675 B14R2.142 COc1ccc2cc[nH]c(=O)c2c1 AB62719 [0,2,0,0,0,0|2,0,0]=4 676 B14R2.142 COc1ccc2cccc(c2c1)Cl AB44054 [0,2,0,0,0,0|1,0,0]=3 677 B14R2.142 COc1ccc2cccc(c2c1)N AB44293 [0,2,0,0,0,0|1,0,0]=3 678 B14R2.142 COc1ccc2cccc(c2n1)Br MB10603 [0,2,0,0,0,0|2,0,0]=4 679 B14R2.142 COc1ccc2ccnc(c2c1)Br AB70051 [0,2,0,0,0,0|2,0,0]=4 680 B14R2.142 COc1ccc2ccnc(c2c1)Cl AB69421 [0,2,0,0,0,0|2,0,0]=4 681 B14R2.142 COc1ccc2ccnc(c2c1)N AB69424 [0,2,0,0,0,0|2,0,0]=4 682 B14R2.142 c1cc(cc2c1ccnc2Cl)CBr AB53340 [0,2,0,0,0,0|2,0,0]=4 683 B14R2.142 c1cc2c(cc1C#N)c(ccn2)O CB11067 [0,2,0,0,0,0|0,0,1]=3 684 B14R2.142 c1cc2c(cc1C#N)c(ncn2)Cl PB23812 [0,2,0,0,0,0|1,0,1]=4 685 B14R2.142 c1cc2c(cc1CBr)c(ccn2)Cl AB63940 [0,2,0,0,0,0|0,0,0]=2 686 B14R2.142 c1cc2c(cc1CBr)c(ncn2)Cl AB51051 [0,2,0,0,0,0|1,0,0]=3 687 B14R2.142 c1cc2ccc(nc2c(c1)Br)CBr AB65964 [0,2,0,0,0,0|2,0,0]=4 688 B14R2.781 B(c1cc2cccnc2nc1)(O)O AB68434 [0,2,0,0,0,0|2,0,0]=4 689 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O AB13210 [0,2,0,0,0,0|1,0,0]=3 690 B14R2.781 B(c1ccc2c(c1)cncn2)(O)O AB68452 [0,2,0,0,0,0|2,0,0]=4 691 B14R2.781 B(c1ccc2c(c1)nccn2)(O)O AB17605 [0,2,0,0,0,0|2,0,0]=4 692 B14R2.781 B(c1ccc2c(c1)nccn2)(O)O AB44872 [0,2,0,0,0,0|2,0,0]=4 693 B14R2.781 B(c1ccc2ccccc2c1)(O)O AB05352 [0,2,0,0,0,0|2,0,0]=4 694 B14R2.781 CC(=O)c1cc2ccccc2cn1 AB25777 [0,2,0,0,0,0|2,0,0]=4 695 B14R2.781 c1cc2c(cc1C(=O)O)cncn2 PB28286 [0,2,0,0,0,0|1,0,1]=4 696 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 PB30868 [0,2,0,0,0,0|1,0,1]=4 697 B14R2.781 c1cc2cc(cnc2nc1)C(=O)O AB23694 [0,2,0,0,0,0|1,0,1]=4 698 B14R2.1019 COc1cc2cccnc2c(c1)N CB10417 [0,2,0,0,0,0|0,0,0]=2 699 B14R2.1128 CCc1cc2ccccc2nc1N AB05805 [0,2,0,0,0,0|2,0,0]=4 700 B14R2.1128 c1cc2cc(c(nc2nc1)N)C#N AB25875 [0,2,0,0,0,0|1,0,1]=4 701 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)CN AB60208 [0,2,0,0,0,0|2,0,0]=4 702 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl AB22936 [0,2,0,0,0,0|2,0,0]=4 703 B14R2.1801 COc1ccc2c(c1)cccc2Br MB03398 [0,2,0,0,0,0|1,0,0]=3 704 B14R2.1801 COc1ccc2c(c1)ccnc2Br AB70054 [0,2,0,0,0,0|2,0,0]=4 705 B14R2.1801 COc1ccc2c(c1)ccnc2Cl AB27579 [0,2,0,0,0,0|2,0,0]=4 706 B14R2.1801 COc1ccc2c(c1)ccnc2N AB69419 [0,2,0,0,0,0|2,0,0]=4 707 B14R2.1801 COc1ccc2c(c1)ccnc2O AB64610 [0,2,0,0,0,0|2,0,0]=4 708 B14R2.1801 COc1ccc2c(ccnc2c1)Cl PB12379 [0,2,0,0,0,0|2,0,0]=4 709 B14R2.1801 COc1ccc2c(ccnc2c1)N AB43461 [0,2,0,0,0,0|2,0,0]=4 710 B14R2.1801 COc1ccc2c(ccnc2c1)O AB04264 [0,2,0,0,0,0|2,0,0]=4 711 B14R2.1801 COc1ccc2c(n1)cccc2Br MB10596 [0,2,0,0,0,0|2,0,0]=4 712 B14R2.2332 CCc1ccc2c(c1)ccc(n2)C AB45128 [0,2,0,0,0,0|0,0,0]=2 713 B14R2.2332 CNc1cnc2cc(ccc2n1)Br MB10614 [0,2,0,0,0,0|2,0,0]=4 714 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl AB07225 [0,2,0,0,0,0|0,0,0]=2 715 B14R2.2332 COc1ccc2c(c1)cnc(n2)N AB60763 [0,2,0,0,0,0|1,0,0]=3 716 B14R2.2332 COc1ccc2c(c1)nnc(n2)N MB09369 [0,2,0,0,0,0|2,0,0]=4 717 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [0,2,0,0,0,0|1,0,0]=3 718 B14R2.2332 COc1ccc2cc(ccc2n1)Br MB10111 [0,2,0,0,0,0|1,0,0]=3 719 B14R2.2332 COc1ccc2cc(cnc2c1)Br MB10604 [0,2,0,0,0,0|2,0,0]=4 720 B14R2.2332 Cc1ccc2cc(cnc2c1)C=O AB57089 [0,2,0,0,0,0|2,0,0]=4 721 B14R2.2332 c1cc(cc2c1cc(cn2)CCl)Br AB70015 [0,2,0,0,0,0|2,0,0]=4 722 B14R2.2332 c1cc(cc2c1cc(cn2)CN)Br AB70017 [0,2,0,0,0,0|2,0,0]=4 723 B14R2.2332 c1cc(nc2c1cc(cc2)Br)C#N AB43399 [0,2,0,0,0,0|1,0,0]=3 724 B14R2.2332 c1cc(nc2c1cc(cc2)Br)CCl AB69960 [0,2,0,0,0,0|1,0,0]=3 725 B14R2.2332 c1cc(nc2c1cc(cc2)Br)CN AB62985 [0,2,0,0,0,0|1,0,0]=3 726 B14R2.2332 c1cc(nc2c1cc(cc2)Br)CO AB69964 [0,2,0,0,0,0|1,0,0]=3 727 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)CCl AB60110 [0,2,0,0,0,0|1,0,0]=3 728 B14R2.2332 c1cc(nc2c1cc(cc2)F)CCl AB60115 [0,2,0,0,0,0|1,0,0]=3 729 B14R2.2332 c1cc2c(ccc(=O)[nH]2)cc1C#N MB06791 [0,2,0,0,0,0|0,0,2]=4 730 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C#N MB06874 [0,2,0,0,0,0|0,0,1]=3 731 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1C=O AB43967 [0,2,0,0,0,0|0,0,1]=3 732 B14R2.2332 c1cc2c(ccc(n2)Cl)cc1CBr AB63912 [0,2,0,0,0,0|0,0,0]=2 733 B14R2.2332 c1cc2cc(ccc2cc1CO)N AB50496 [0,2,0,0,0,0|1,0,0]=3 734 B14R2.8239 Cc1cc2c(cc1Br)nnc(n2)N MB14554 [0,2,0,0,0,0|2,0,0]=4 735 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br AB12569 [0,2,0,0,0,0|1,0,0]=3 736 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl AB42139 [0,2,0,0,0,0|1,0,0]=3 737 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)F AB51948 [0,2,0,0,0,0|1,0,0]=3 738 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br AB05791 [0,2,0,0,0,0|1,0,0]=3 739 B14R2.8239 Cc1cc2cc(ccc2nc1N)Cl AB05783 [0,2,0,0,0,0|1,0,0]=3 740 B14R2.8239 Cc1cc2cc(ccc2nc1N)F AB05794 [0,2,0,0,0,0|1,0,0]=3 741 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,2,0,0,0,0|2,0,0]=4 742 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,2,0,0,0,0|2,0,0]=4 743 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,2,0,0,0,0|2,0,0]=4 744 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,2,0,0,0,0|2,0,0]=4 745 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,2,0,0,0,0|2,0,0]=4 746 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,2,0,0,0,0|2,0,0]=4 747 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,2,0,0,0,0|2,0,0]=4 748 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C AB42073 [0,2,0,0,0,0|0,0,0]=2 749 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C AB05771 [0,2,0,0,0,0|0,0,0]=2 750 B14R2.8239 Cc1ccc2cc(c(cc2n1)C)C AB45155 [0,2,0,0,0,0|0,0,0]=2 751 B14R2.8239 Cc1ccc2cc(c(cc2n1)Cl)Cl AB05547 [0,2,0,0,0,0|1,0,0]=3 752 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,2,0,0,0,0|2,0,0]=4 753 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,2,0,0,0,0|2,0,0]=4 754 B14R2.8239 c1cc2=NC(=O)C(=O)N=c2cc1Br MB07877 [0,2,0,0,0,0|2,0,0]=4 755 B14R2.8239 c1cc2c(cc1Br)nc(c(n2)Cl)Cl MB07875 [0,2,0,0,0,0|2,0,0]=4 756 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)Cl AB52376 [0,2,0,0,0,0|2,0,0]=4 757 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)N AB52077 [0,2,0,0,0,0|2,0,0]=4 758 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl AB05635 [0,2,0,0,0,0|2,0,0]=4 759 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)N AB10426 [0,2,0,0,0,0|2,0,0]=4 760 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)O AB05588 [0,2,0,0,0,0|2,0,0]=4 761 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl AB05606 [0,2,0,0,0,0|2,0,0]=4 762 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)N AB52079 [0,2,0,0,0,0|2,0,0]=4 763 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O AB12584 [0,2,0,0,0,0|2,0,0]=4 764 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C AB05664 [0,2,0,0,0,0|2,0,0]=4 765 B14R2.29365 Cc1ccc2c(c1)nc(cc2Cl)C AB52100 [0,2,0,0,0,0|2,0,0]=4 766 B14R2.29365 Cc1ccc2c(c1)nc(cc2O)C AB09283 [0,2,0,0,0,0|2,0,0]=4 767 B14R2.29365 Cc1ccc2c(cc(cc2n1)C)C AB51599 [0,2,0,0,0,0|2,0,0]=4 768 B14R2.29365 Cc1ccc2c(cc(nc2c1)C)N AB10429 [0,2,0,0,0,0|2,0,0]=4 769 B14R2.29365 Cc1ccc2c(n1)cc(cc2Cl)Cl AB52171 [0,2,0,0,0,0|2,0,0]=4 770 B14R2.8045 Cc1cc(c2c(c1)c(=O)[nH]cn2)C AB21790 [0,2,0,0,0,0|1,0,0]=3 771 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)Cl)C AB03219 [0,2,0,0,0,0|0,0,0]=2 772 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)N)C AB49057 [0,2,0,0,0,0|0,0,0]=2 773 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)O)C AB05730 [0,2,0,0,0,0|0,0,0]=2 774 B14R2.8045 Cc1cc(c2c(c1)c(ncn2)Cl)C AB45616 [0,2,0,0,0,0|1,0,0]=3 775 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)Cl AB05684 [0,2,0,0,0,0|2,0,0]=4 776 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)N AB46032 [0,2,0,0,0,0|2,0,0]=4 777 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O AB06321 [0,2,0,0,0,0|2,0,0]=4 778 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl AB05660 [0,2,0,0,0,0|2,0,0]=4 779 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)N AB10438 [0,2,0,0,0,0|2,0,0]=4 780 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O AB03452 [0,2,0,0,0,0|2,0,0]=4 781 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl AB05610 [0,2,0,0,0,0|2,0,0]=4 782 B14R2.8045 Cc1cc(c2cccc(c2n1)F)N AB52090 [0,2,0,0,0,0|2,0,0]=4 783 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O AB05637 [0,2,0,0,0,0|2,0,0]=4 784 B14R2.8045 Cc1cc(cc2c1nccc2Br)Cl AB42132 [0,2,0,0,0,0|1,0,0]=3 785 B14R2.8045 Cc1cc(cc2c1nccc2Cl)Cl AB52009 [0,2,0,0,0,0|1,0,0]=3 786 B14R2.8045 Cc1cc(cc2c1nccc2N)Cl AB52063 [0,2,0,0,0,0|1,0,0]=3 787 B14R2.8045 Cc1cc(cc2c1nccc2O)Cl AB05694 [0,2,0,0,0,0|1,0,0]=3 788 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)Cl AB52016 [0,2,0,0,0,0|0,0,0]=2 789 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)N AB52086 [0,2,0,0,0,0|0,0,0]=2 790 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)O AB05700 [0,2,0,0,0,0|0,0,0]=2 791 B14R2.8045 Cc1cccc2c1nc(cc2C)C AB05600 [0,2,0,0,0,0|2,0,0]=4 792 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C AB05627 [0,2,0,0,0,0|2,0,0]=4 793 B14R2.8045 Cc1cccc2c1nc(cc2N)C AB46037 [0,2,0,0,0,0|2,0,0]=4 794 B14R2.8045 Cc1cccc2c1nc(cc2O)C AB03395 [0,2,0,0,0,0|2,0,0]=4 795 B14R2.8045 c1c(cc(c2c1c(=O)[nH]cn2)Br)F MB14467 [0,2,0,0,0,0|2,0,0]=4 796 B14R2.8045 c1c(cc(c2c1c(ncn2)Cl)Cl)Cl AB26749 [0,2,0,0,0,0|2,0,0]=4 797 B14R2.8045 c1c(cc(c2c1c(ncn2)O)Br)Br AB03474 [0,2,0,0,0,0|2,0,0]=4 798 B14R2.8045 c1cnc2c(c1Cl)cc(cc2Cl)Cl AB43468 [0,2,0,0,0,0|1,0,0]=3 799 B14R2.8045 c1cnc2c(c1N)cc(cc2Cl)Cl AB43471 [0,2,0,0,0,0|1,0,0]=3 800 B14R2.8045 c1cnc2c(c1O)cc(cc2Cl)Cl AB05654 [0,2,0,0,0,0|1,0,0]=3 801 B14R2.8235 Cc1c2cc(ccc2nc(n1)Cl)Br PB25199 [0,2,0,0,0,0|2,0,0]=4 802 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)Cl AB05644 [0,2,0,0,0,0|1,0,0]=3 803 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)N AB07349 [0,2,0,0,0,0|1,0,0]=3 804 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O AB06317 [0,2,0,0,0,0|1,0,0]=3 805 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl AB05640 [0,2,0,0,0,0|1,0,0]=3 806 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)N AB52059 [0,2,0,0,0,0|1,0,0]=3 807 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl AB05604 [0,2,0,0,0,0|1,0,0]=3 808 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)N AB23700 [0,2,0,0,0,0|1,0,0]=3 809 B14R2.8235 Cc1cc(cc2c1[nH]c(=O)cc2)Br MB09777 [0,2,0,0,0,0|1,0,1]=4 810 B14R2.8235 Cc1cc(nc2c1cc(cc2)Cl)Cl AB08526 [0,2,0,0,0,0|1,0,0]=3 811 B14R2.8235 Cc1cc(nc2c1cc(cc2)Cl)O AB07942 [0,2,0,0,0,0|1,0,0]=3 812 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)Cl AB13083 [0,2,0,0,0,0|1,0,0]=3 813 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O AB55923 [0,2,0,0,0,0|1,0,0]=3 814 B14R2.8235 Cc1cc(nc2c1cc(cc2)O)Cl AB06491 [0,2,0,0,0,0|1,0,0]=3 815 B14R2.8235 Cc1cc(nc2c1cc(cc2)O)O AB45126 [0,2,0,0,0,0|1,0,0]=3 816 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)Cl AB05657 [0,2,0,0,0,0|0,0,0]=2 817 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)N AB10434 [0,2,0,0,0,0|0,0,0]=2 818 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O AB05586 [0,2,0,0,0,0|0,0,0]=2 819 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)Cl)C AB06052 [0,2,0,0,0,0|0,0,0]=2 820 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)O)C AB03192 [0,2,0,0,0,0|0,0,0]=2 821 B14R2.8235 Cc1ccc2c(c1)c(nc(n2)C)O AB62870 [0,2,0,0,0,0|1,0,0]=3 822 B14R2.8235 Cc1ccc2c(c1)c(nc(n2)Cl)Cl AB60744 [0,2,0,0,0,0|1,0,0]=3 823 B14R2.8235 Cc1ccc2c(n1)c(nc(n2)Cl)Cl AB65036 [0,2,0,0,0,0|2,0,0]=4 824 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)C AB51628 [0,2,0,0,0,0|0,0,0]=2 825 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)Cl AB44505 [0,2,0,0,0,0|1,0,0]=3 826 B14R2.8235 Cc1nc2ccc(cc2c(n1)O)Br AB49696 [0,2,0,0,0,0|2,0,0]=4 827 B14R2.8235 Cc1nc2ccc(cc2c(n1)O)F AB63026 [0,2,0,0,0,0|2,0,0]=4 828 B14R2.8235 c1c(cc(c2c1cnc(n2)Cl)Br)F PB16788 [0,2,0,0,0,0|2,0,0]=4 829 B14R2.8235 c1c(cc(c2c1cnc(n2)Cl)F)Br PB22858 [0,2,0,0,0,0|2,0,0]=4 830 B14R2.8235 c1cc2c(cc1Br)c(nc(n2)Cl)Cl PB28011 [0,2,0,0,0,0|2,0,0]=4 831 B14R2.8235 c1cc2c(cc1Br)c(nc(n2)Cl)N AB22455 [0,2,0,0,0,0|2,0,0]=4 832 B14R2.8235 c1cc2c(cc1Cl)c(cc(n2)N)O MB05719 [0,2,0,0,0,0|1,0,0]=3 833 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl AB45289 [0,2,0,0,0,0|2,0,0]=4 834 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)N AB60754 [0,2,0,0,0,0|2,0,0]=4 835 B14R2.8235 c1cc2c(cc1F)c(=O)[nH]c(n2)Cl CB11537 [0,2,0,0,0,0|2,0,0]=4 836 B14R2.8235 c1cc2c(cc1F)c(nc(n2)Cl)Cl AB55585 [0,2,0,0,0,0|2,0,0]=4 837 B14R2.8235 c1cc2c(cc1F)c(nc(n2)Cl)N AB60758 [0,2,0,0,0,0|2,0,0]=4 838 B14R2.8235 c1cc2c(cc1F)c(nc(n2)O)O CB11607 [0,2,0,0,0,0|2,0,0]=4 839 B14R2.8235 c1cc2c(cc1I)c(nc(n2)Cl)Cl PB32625 [0,2,0,0,0,0|2,0,0]=4 840 B14R2.8751 Cc1ccc(c2c1ccc(n2)C)C AB51613 [0,2,0,0,0,0|2,0,0]=4 841 B14R2.8751 Cc1ccc(c2c1nc(cc2)C)Cl AB52226 [0,2,0,0,0,0|2,0,0]=4 842 B14R2.11684 CCc1cccc2c1nc(cc2)C AB52468 [0,2,0,0,0,0|2,0,0]=4 843 B14R2.11684 Cc1ccc2c(c1)c(ccn2)NN AB52150 [0,2,0,0,0,0|0,0,0]=2 844 B14R2.11684 c1cc2c(cc1Br)c(ccn2)NN AB45093 [0,2,0,0,0,0|1,0,0]=3 845 B14R2.11684 c1cc2c(cc1Cl)c(ccn2)NN AB45094 [0,2,0,0,0,0|1,0,0]=3 846 B14R2.11684 c1cc2c(cc1F)c(ccn2)NN AB05760 [0,2,0,0,0,0|1,0,0]=3 847 B14R2.28472 Cc1cc2c(ccnc2cc1C)Cl AB52102 [0,2,0,0,0,0|0,0,0]=2 848 B14R2.28472 Cc1cc2c(ccnc2cc1C)N AB52053 [0,2,0,0,0,0|0,0,0]=2 849 B14R2.28472 Cc1cc2c(ccnc2cc1C)O AB05728 [0,2,0,0,0,0|0,0,0]=2 850 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl AB42069 [0,2,0,0,0,0|2,0,0]=4 851 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N AB05779 [0,2,0,0,0,0|2,0,0]=4 852 B14R2.28472 c1c2c(cc(c1Cl)Br)nc[nH]c2=O PB22397 [0,2,0,0,0,0|2,0,0]=4 853 B14R2.28472 c1c2c(cc(c1Cl)Br)ncnc2Cl PB13595 [0,2,0,0,0,0|2,0,0]=4 854 B14R2.28472 c1c2c(cc(c1O)O)ncnc2Cl PB11934 [0,2,0,0,0,0|2,0,0]=4 855 B14R2.28472 c1cnc2cc(c(cc2c1Cl)Cl)Cl AB43475 [0,2,0,0,0,0|1,0,0]=3 856 B14R2.28472 c1cnc2cc(c(cc2c1N)Cl)Cl AB43479 [0,2,0,0,0,0|1,0,0]=3 857 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl AB05716 [0,2,0,0,0,0|1,0,0]=3 858 B14R2.1146 Cc1cc(c2ccccc2n1)C#N AB08233 [0,2,0,0,0,0|2,0,0]=4 859 B14R2.1146 Cc1cc(c2ccccc2n1)C=O AB43021 [0,2,0,0,0,0|2,0,0]=4 860 B14R2.1146 Cc1cc(c2ccccc2n1)CCl AB29712 [0,2,0,0,0,0|2,0,0]=4 861 B14R2.1146 Cc1cc(c2ccccc2n1)CN AB17861 [0,2,0,0,0,0|2,0,0]=4 862 B14R2.1146 Cc1cc(c2ccccc2n1)NN AB52136 [0,2,0,0,0,0|2,0,0]=4 863 B14R2.28480 Cc1cc(c2c(ccnc2c1)Cl)C AB42058 [0,2,0,0,0,0|2,0,0]=4 864 B14R2.28480 Cc1cc(c2c(ccnc2c1)N)C AB52037 [0,2,0,0,0,0|2,0,0]=4 865 B14R2.28480 Cc1cc(c2c(ccnc2c1)O)C AB05722 [0,2,0,0,0,0|2,0,0]=4 866 B14R2.1073 Cc1ccc2c(ccnc2c1)NN AB52155 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,1,0,1,0|2,0,0]=4 868 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,0,1,0,1,0|2,0,0]=4 869 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,0,1,0,1,0|2,0,0]=4 870 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,0,1,0,1,0|2,0,0]=4 871 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,0,1,0,1,0|2,0,0]=4 872 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,1,0,1,0|1,0,1]=4 873 B10R2.7 C1=CC2C(=NC=N2)C=C1 AB56425 [1,0,0,0,1,0|1,0,1]=4 874 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [1,0,0,0,1,0|1,0,1]=4 875 B10R2.7 C1C=CN=C2C1=NC=C2 PB18523 [1,0,0,0,1,0|1,0,1]=4 876 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,0,1,0|1,0,0]=3 877 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [1,0,0,0,1,0|1,0,0]=3 878 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [1,0,0,0,1,0|2,0,0]=4 879 B10R2.7 c1cc2cnccn2c1 CB10529 [1,0,0,0,1,0|2,0,0]=4 880 B10R2.7 c1cc2nccn2nc1 AB42764 [1,0,0,0,1,0|2,0,0]=4 881 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [1,0,0,0,1,0|1,0,0]=3 882 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [1,0,0,0,1,0|2,0,0]=4 883 B10R2.7 c1ccn2c(c1)ncn2 AB15720 [1,0,0,0,1,0|2,0,0]=4 884 B10R2.7 c1ccn2cccc2c1 AB01491 [1,0,0,0,1,0|1,0,0]=3 885 B10R2.7 c1ccn2cncc2c1 AB14043 [1,0,0,0,1,0|2,0,0]=4 886 B10R2.7 c1cn2ccnc2cn1 AB23577 [1,0,0,0,1,0|2,0,0]=4 887 B10R2.7 c1cnc2ccnn2c1 PB20510 [1,0,0,0,1,0|2,0,0]=4 888 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,0,1,0|1,0,1]=4 889 B10R2.7 c1cncc2=NCC=c21 PB21773 [1,0,0,0,1,0|1,0,1]=4 890 B10R2.7 c1cncc2c1ccs2 MB02036 [1,0,0,0,1,0|2,0,0]=4 891 B10R2.7 c1cncn2c1ncc2 AB55782 [1,0,0,0,1,0|2,0,0]=4