0 B13R2.369 CC1C(=O)Nc2c(cccn2)O1 AB65764 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,0,0,0|1,0,2]=3 3 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,0,0,0,0,0|1,0,2]=3 7 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)Cl PB24182 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)N PB34919 [0,0,0,0,0,0|2,0,2]=4 9 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl AB00795 [0,0,0,0,0,0|3,0,1]=4 12 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N PB33886 [0,0,0,0,0,0|3,0,1]=4 13 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [1,0,0,0,0,0|2,0,1]=4 29 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [1,0,0,0,0,0|2,0,1]=4 32 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [1,0,0,0,0,0|1,0,2]=4 34 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [1,0,0,0,0,0|2,0,1]=4 36 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [1,0,0,0,0,0|1,0,0]=2 37 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [1,0,0,0,0,0|2,0,1]=4 39 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [1,0,0,0,0,0|2,0,1]=4 41 B12R2.24 c1cc2cnccc2cc1Br PB29336 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 c1cc2cnccc2cc1F MB09677 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.24 c1cc2cnccc2cc1I MB09307 [1,0,0,0,0,0|3,0,0]=4 45 B12R2.24 c1cc2cnccc2cc1N AB19123 [1,0,0,0,0,0|3,0,0]=4 46 B12R2.24 c1cc2cnccc2cc1O AB19117 [1,0,0,0,0,0|2,0,0]=3 47 B12R2.24 c1cc2cncnc2cc1O AB60737 [1,0,0,0,0,0|3,0,0]=4 48 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [1,0,0,0,0,0|2,0,1]=4 49 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [1,0,0,0,0,0|1,0,1]=3 50 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [1,0,0,0,0,0|1,0,1]=3 51 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [1,0,0,0,0,0|1,0,1]=3 52 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,0,0,0,0,0|1,0,1]=3 53 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,0,0,0,0,0|1,0,1]=3 54 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,0,0,0,0,0|1,0,1]=3 55 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [1,0,0,0,0,0|2,0,1]=4 56 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [1,0,0,0,0,0|2,0,1]=4 57 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [1,0,0,0,0,0|2,0,1]=4 58 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [1,0,0,0,0,0|2,0,1]=4 59 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [1,0,0,0,0,0|3,0,0]=4 62 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,0,0,0,0,0|2,0,0]=3 63 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [1,0,0,0,0,0|1,0,2]=4 64 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [1,0,0,0,0,0|1,0,2]=4 65 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [1,0,0,0,0,0|1,0,2]=4 66 B14R2.639 CC1(C(=O)Nc2ccccc2O1)C AB64917 [0,1,0,0,0,0|2,0,1]=4 67 B14R2.1128 CCc1cc2ccccc2nc1N AB05805 [0,1,0,0,0,0|2,0,1]=4 68 B14R2.1128 COc1c(nc2ccccc2n1)Cl AB31541 [0,1,0,0,0,0|2,0,1]=4 69 B14R2.1128 c1ccc2=NC(=O)C(C=c2c1)C#N MB02252 [0,1,0,0,0,0|1,0,2]=4 70 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)C=O AB59869 [0,1,0,0,0,0|1,0,2]=4 71 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)CN AB60208 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [0,1,0,0,0,0|1,0,1]=3 73 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C#N AB45106 [0,1,0,0,0,0|2,0,1]=4 74 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl AB22936 [0,1,0,0,0,0|2,0,1]=4 75 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [0,1,0,0,0,0|2,0,0]=3 76 B14R2.1128 c1ccc2c(c1)nc(c(n2)Cl)C=O AB60408 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.8188 Cc1c(nc2ccccc2c1Cl)C AB50456 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.8188 Cc1c(nc2ccccc2c1O)C AB50455 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.8188 c1ccc2c(c1)CC(=O)N(C2=O)N MB02175 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br MB06176 [0,1,0,0,0,0|2,0,1]=4 81 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl MB02033 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N AB09976 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.8239 CC1C(=O)Nc2ccc(cc2O1)N AB54532 [0,1,0,0,0,0|2,0,1]=4 84 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br AB12569 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl AB42139 [0,1,0,0,0,0|2,0,1]=4 86 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)F AB51948 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br AB05791 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.8239 Cc1cc2cc(ccc2nc1N)Cl AB05783 [0,1,0,0,0,0|2,0,1]=4 89 B14R2.8239 Cc1cc2cc(ccc2nc1N)F AB05794 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,1,0,0,0,0|2,0,1]=4 92 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,1,0,0,0,0|2,0,1]=4 94 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,1,0,0,0,0|2,0,1]=4 95 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,1,0,0,0,0|2,0,1]=4 96 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,1,0,0,0,0|2,0,0]=3 97 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C AB42073 [0,1,0,0,0,0|2,0,1]=4 98 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C AB05771 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,1,0,0,0,0|2,0,1]=4 100 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,1,0,0,0,0|2,0,1]=4 101 B14R2.8239 c1cc2=NC(=O)C(=O)N=c2cc1Br MB07877 [0,1,0,0,0,0|1,0,2]=4 102 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N AB27601 [0,1,0,0,0,0|1,0,2]=4 103 B14R2.28472 CC1C(=O)Nc2cccc(c2O1)N MB05445 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl AB42069 [0,1,0,0,0,0|2,0,1]=4 105 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N AB05779 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,0,1,0,0,0|0,0,2]=3 107 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,0,0,0,1,0|2,0,1]=4 108 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,0,0,0,1,0|2,0,1]=4 109 B14R2.741 c1ccc2c(c1)CCC(C(=O)N2)N AB11692 [0,0,0,0,0,1|1,0,2]=4 110 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,0,1,0,0,0|0,0,2]=4 111 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,1,0,0,0|1,0,0]=3 112 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [1,0,1,0,0,0|1,0,1]=4 113 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,0,1,0,0,0|1,0,1]=4 114 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [1,0,1,0,0,0|0,0,1]=3 115 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [1,0,1,0,0,0|2,0,0]=4 116 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [2,0,0,0,0,0|1,0,1]=4 117 B11R2.20 c1cc2cccnc2nc1 AB02373 [2,0,0,0,0,0|1,0,1]=4 118 B11R2.20 c1cc2cnccc2nc1 AB02371 [2,0,0,0,0,0|1,0,1]=4 119 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,1,1,0,0,0|2,0,0]=4 120 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [1,1,0,0,0,0|1,0,1]=4 121 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [1,1,0,0,0,0|1,0,1]=4 122 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [1,1,0,0,0,0|1,0,0]=3 124 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.57 C#Cc1cc2ccccc2nc1 AB13977 [1,1,0,0,0,0|1,0,1]=4 126 B13R2.57 C#Cc1ccc2ccccc2n1 AB48506 [1,1,0,0,0,0|1,0,1]=4 127 B13R2.57 CNc1cc2ccccc2nc1 AB60620 [1,1,0,0,0,0|1,0,1]=4 128 B13R2.57 CNc1ccc2ccccc2n1 AB60616 [1,1,0,0,0,0|1,0,1]=4 129 B13R2.57 COc1ccc2cnccc2c1 AB19119 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.57 c1cc(cc2c1ccnc2)CO MB09768 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.57 c1cc2c(ccc(n2)C=O)nc1 AB64522 [1,1,0,0,0,0|1,0,1]=4 133 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.57 c1cc2cc(ccc2nc1)CO MB02978 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.57 c1cc2ccc(nc2nc1)C=O CB10823 [1,1,0,0,0,0|1,0,1]=4 137 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.57 c1cc2cnccc2cc1CO MB09755 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [1,1,0,0,0,0|0,0,2]=4 140 B13R2.57 c1ccc2c(c1)cc(cn2)CCl AB14411 [1,1,0,0,0,0|1,0,1]=4 141 B13R2.57 c1ccc2c(c1)cc(cn2)CN AB06242 [1,1,0,0,0,0|1,0,1]=4 142 B13R2.57 c1ccc2c(c1)cc(cn2)CO MB02778 [1,1,0,0,0,0|0,0,1]=3 143 B13R2.57 c1ccc2c(c1)ccc(n2)CCl AB01399 [1,1,0,0,0,0|1,0,1]=4 144 B13R2.57 c1ccc2c(c1)ccc(n2)CN AB12710 [1,1,0,0,0,0|1,0,1]=4 145 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [1,1,0,0,0,0|1,0,1]=4 146 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [1,1,0,0,0,0|1,0,1]=4 147 B13R2.57 c1ccc2cc(ccc2c1)NN AB17521 [1,1,0,0,0,0|2,0,0]=4 148 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [1,1,0,0,0,0|2,0,0]=4 149 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,1,0,0,0,0|1,0,0]=3 150 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [1,1,0,0,0,0|1,0,1]=4 151 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [1,1,0,0,0,0|1,0,1]=4 153 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,1,0,0,0,0|0,0,0]=2 154 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,1,0,0,0,0|1,0,1]=4 155 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,1,0,0,0,0|1,0,1]=4 156 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,1,0,0,0,0|0,0,0]=2 157 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,1,0,0,0,0|0,0,0]=2 158 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,1,0,0,0,0|0,0,0]=2 159 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [1,1,0,0,0,0|1,0,1]=4 160 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [1,1,0,0,0,0|1,0,1]=4 161 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [1,1,0,0,0,0|1,0,1]=4 162 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [1,1,0,0,0,0|1,0,1]=4 163 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,1,0,0,0,0|1,0,0]=3 164 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [1,1,0,0,0,0|1,0,1]=4 165 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [1,1,0,0,0,0|0,0,1]=3 166 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [1,1,0,0,0,0|1,0,1]=4 167 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [1,1,0,0,0,0|1,0,1]=4 168 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [1,1,0,0,0,0|1,0,1]=4 169 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [1,1,0,0,0,0|0,0,2]=4 170 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [1,1,0,0,0,0|0,0,2]=4 171 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [1,1,0,0,0,0|1,0,1]=4 172 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [1,1,0,0,0,0|1,0,1]=4 173 B13R2.162 Cc1cccc2c1NC(=O)CC2 MB01240 [1,1,0,0,0,0|0,0,2]=4 174 B13R2.162 Cc1cccc2c1NC(=O)CO2 AB65924 [1,1,0,0,0,0|1,0,1]=4 175 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [1,1,0,0,0,0|1,0,1]=4 176 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N MB09230 [1,1,0,0,0,0|1,0,1]=4 177 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [1,1,0,0,0,0|1,0,1]=4 178 B13R2.162 c1cc2c(c(c1)Br)NC(=O)CO2 AB72665 [1,1,0,0,0,0|1,0,1]=4 179 B13R2.162 c1cc2c(c(c1)Cl)NC(=O)CO2 AB65030 [1,1,0,0,0,0|1,0,1]=4 180 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 AB22449 [1,1,0,0,0,0|0,0,2]=4 181 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [1,1,0,0,0,0|0,0,0]=2 182 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [1,1,0,0,0,0|0,0,0]=2 183 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [1,1,0,0,0,0|1,0,1]=4 184 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [1,1,0,0,0,0|1,0,1]=4 185 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [1,1,0,0,0,0|1,0,1]=4 186 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [1,1,0,0,0,0|1,0,1]=4 187 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [1,1,0,0,0,0|0,0,2]=4 188 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [1,1,0,0,0,0|1,0,1]=4 189 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [1,1,0,0,0,0|1,0,1]=4 190 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [1,1,0,0,0,0|1,0,1]=4 191 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [1,1,0,0,0,0|1,0,1]=4 192 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 CB11334 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)Cl MB03587 [1,1,0,0,0,0|0,0,2]=4 194 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)N MB03581 [1,1,0,0,0,0|0,0,2]=4 195 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [1,1,0,0,0,0|2,0,0]=4 196 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [1,1,0,0,0,0|1,0,1]=4 198 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [1,1,0,0,0,0|1,0,1]=4 199 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [1,1,0,0,0,0|1,0,1]=4 200 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [1,1,0,0,0,0|1,0,1]=4 201 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [1,1,0,0,0,0|1,0,1]=4 202 B13R2.328 c1cncc2c1c(=O)[nH]c(=O)[nH]2 MB04667 [1,1,0,0,0,0|2,0,0]=4 203 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [1,1,0,0,0,0|0,0,2]=4 204 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [1,1,0,0,0,0|1,0,1]=4 205 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,1,0,0,0,0|1,0,1]=4 206 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [1,1,0,0,0,0|1,0,1]=4 207 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [1,1,0,0,0,0|1,0,1]=4 208 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [1,1,0,0,0,0|1,0,1]=4 209 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [1,1,0,0,0,0|1,0,1]=4 210 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [1,1,0,0,0,0|1,0,1]=4 211 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [1,1,0,0,0,0|1,0,1]=4 212 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,1,0,0,0,0|0,0,2]=4 213 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [1,1,0,0,0,0|1,0,1]=4 215 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,1,0,0,0,0|0,0,2]=4 216 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,1,0,0,0,0|1,0,1]=4 217 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [1,1,0,0,0,0|1,0,1]=4 218 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [1,1,0,0,0,0|1,0,1]=4 219 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [1,1,0,0,0,0|0,0,2]=4 220 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [1,1,0,0,0,0|0,0,2]=4 221 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [1,1,0,0,0,0|0,0,2]=4 222 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [1,1,0,0,0,0|0,0,2]=4 223 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [1,1,0,0,0,0|1,0,1]=4 224 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [1,1,0,0,0,0|1,0,1]=4 225 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [1,1,0,0,0,0|1,0,1]=4 226 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [1,1,0,0,0,0|1,0,1]=4 227 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [1,1,0,0,0,0|1,0,1]=4 228 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [1,1,0,0,0,0|0,0,2]=4 229 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [1,1,0,0,0,0|1,0,1]=4 230 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [1,1,0,0,0,0|1,0,1]=4 231 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [1,1,0,0,0,0|1,0,1]=4 232 B13R2.5179 Cc1cccc2c1OCC(=O)N2 AB53068 [1,1,0,0,0,0|1,0,1]=4 233 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N MB08392 [1,1,0,0,0,0|1,0,1]=4 234 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)N2 AB50082 [1,1,0,0,0,0|1,0,1]=4 235 B13R2.5179 c1cc2c(c(c1)Cl)OCC(=O)N2 AB43540 [1,1,0,0,0,0|1,0,1]=4 236 B13R2.5179 c1cc2c(c(c1)F)OCC(=O)N2 AB53069 [1,1,0,0,0,0|1,0,1]=4 237 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [1,1,0,0,0,0|1,0,1]=4 238 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [1,1,0,0,0,0|0,0,0]=2 239 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [1,1,0,0,0,0|0,0,0]=2 240 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [1,1,0,0,0,0|1,0,1]=4 241 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [1,1,0,0,0,0|1,0,1]=4 242 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [1,1,0,0,0,0|1,0,1]=4 243 B13R2.45 Cn1c2ccccc2cc1CO AB18955 [0,1,0,0,1,0|2,0,0]=4 244 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,1,0,0,1,0|1,0,1]=4 245 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [0,1,0,0,1,0|1,0,1]=4 246 B13R2.359 c1ccc2c(c1)C(C(=O)N2)(F)F AB75832 [0,1,0,0,1,0|1,0,1]=4 247 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O AB00534 [0,1,0,0,1,0|1,0,0]=3 248 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,1,0,0,1,0|0,0,1]=3 249 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,1,0,0,1,0|0,0,1]=3 250 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,1,0,0,1,0|0,0,1]=3 251 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,1,0,0,1,0|0,0,1]=3 252 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,1,0,0,1,0|0,0,1]=3 253 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,1,0,0,1,0|0,0,1]=3 254 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,1,0,0,1,0|0,0,1]=3 255 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,1,0,0,1,0|0,0,1]=3 256 B15R2.8448 CN1CC(=O)Nc2ccccc2C1=O AB07421 [0,1,0,0,0,1|2,0,0]=4 257 B15R2.117 c1ccc2c(c1)cc(c(n2)CO)CO AB21169 [0,2,0,0,0,0|0,0,2]=4 258 B15R2.984 B(c1cc2ccccc2nc1Br)(O)O AB22292 [0,2,0,0,0,0|1,0,1]=4 259 B15R2.984 B(c1cc2ccccc2nc1Cl)(O)O AB08332 [0,2,0,0,0,0|1,0,1]=4 260 B15R2.984 B(c1cc2ccccc2nc1F)(O)O AB22298 [0,2,0,0,0,0|1,0,1]=4 261 B15R2.984 B(c1cc2ccccc2nc1O)(O)O AB57829 [0,2,0,0,0,0|0,0,2]=4 262 B15R2.984 Cc1c(cc2ccccc2n1)C(=O)O AB06377 [0,2,0,0,0,0|1,0,1]=4 263 B15R2.984 c1cc2cc(c(=O)[nH]c2nc1)C(=O)O AB25887 [0,2,0,0,0,0|1,0,0]=3 264 B15R2.984 c1ccc2=NC(=O)C(C=c2c1)C(=O)O PB12927 [0,2,0,0,0,0|0,0,2]=4 265 B15R2.984 c1ccc2c(c1)CC(C(=O)N2)C(=O)O CB10393 [0,2,0,0,0,0|0,0,2]=4 266 B15R2.984 c1ccc2c(c1)cc(c(n2)C(=O)O)N AB68884 [0,2,0,0,0,0|1,0,1]=4 267 B15R2.21243 Cn1c2ccccc2cc(c1=O)C=O CB10923 [0,2,0,0,0,0|0,0,1]=3 268 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)C AB01660 [0,2,0,0,0,0|2,0,0]=4 269 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O AB00533 [0,0,1,1,0,0|1,0,0]=3 270 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O AB28059 [0,0,1,1,0,0|2,0,0]=4 271 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)N AB19632 [0,0,1,1,0,0|2,0,0]=4 272 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,0,1,1,0,0|2,0,0]=4 273 B13R2.54 c1cc2c(c(c1)Br)nc(o2)C=O AB49170 [0,0,1,1,0,0|2,0,0]=4 274 B13R2.54 c1cc2c(c(c1)F)nc(o2)C=O AB49166 [0,0,1,1,0,0|2,0,0]=4 275 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,0,1,0,1,0|1,0,1]=4 276 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,0,1,0,1,0|1,0,1]=4 277 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [1,0,0,0,1,0|0,0,2]=4 278 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,0,1,0|1,0,1]=4 279 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,0,1,0|2,0,0]=4 280 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,0,1,0|1,0,1]=4 281 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [1,0,0,0,1,0|2,0,0]=4 282 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [1,0,0,0,1,0|1,0,1]=4 283 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [1,0,0,0,1,0|1,0,1]=4 284 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,0,1,0|0,0,1]=3 285 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,0,0,0,1,0|2,0,0]=4 286 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [1,0,0,0,1,0|1,0,1]=4 287 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [1,0,0,0,1,0|1,0,1]=4 288 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [1,0,0,0,1,0|2,0,0]=4 289 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,1,0|2,0,0]=4 290 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,0,1,0|2,0,0]=4 291 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [1,0,0,0,1,0|2,0,0]=4