0 B14R2.8239 CC1C(=O)Nc2ccc(cc2O1)N AB54532 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br AB12569 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl AB42139 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)F AB51948 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br AB05791 [0,0,0,0,0,0|2,1,1]=4 5 B14R2.8239 Cc1cc2cc(ccc2nc1N)Cl AB05783 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.8239 Cc1cc2cc(ccc2nc1N)F AB05794 [0,0,0,0,0,0|2,0,1]=3 7 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,0,0,0,0,0|4,0,0]=4 9 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C AB42073 [0,0,0,0,0,0|3,0,1]=4 10 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C AB05771 [0,0,0,0,0,0|3,0,1]=4 11 B14R2.8239 c1cc2=NC(=O)C(=O)N=c2cc1Br MB07877 [0,0,0,0,0,0|1,1,2]=4 12 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [1,0,0,0,0,0|1,1,1]=4 13 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.155 c1cc(nc2c1ccc(n2)F)O AB45677 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.155 c1cc2c(cc1Br)cc(cn2)N AB49949 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.155 c1cc2c(cc1Br)cc(cn2)O AB49950 [1,0,0,0,0,0|0,1,1]=3 18 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [1,0,0,0,0,0|1,0,2]=4 29 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [1,0,0,0,0,0|1,1,1]=4 33 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl PB12313 [1,0,0,0,0,0|1,1,1]=4 34 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,0,0,0,0,0|0,1,2]=4 35 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [1,0,0,0,0,0|1,1,1]=4 36 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [1,0,0,0,0,0|1,1,1]=4 37 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,0,0,0,0,0|0,1,2]=4 38 B13R2.3683 c1cc(nc2c1cc(cc2)F)Cl AB43963 [1,0,0,0,0,0|1,0,1]=3 39 B13R2.3683 c1cc(nc2c1cc(cc2)F)N AB31775 [1,0,0,0,0,0|1,0,1]=3 40 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl AB19838 [1,0,0,0,0,0|1,1,1]=4 41 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [1,0,0,0,0,0|0,1,2]=4 42 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [1,0,0,0,0,0|0,0,2]=3 43 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [1,0,0,0,0,0|1,0,2]=4 44 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [1,0,0,0,0,0|1,0,2]=4 45 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [1,0,0,0,0,0|1,1,1]=4 46 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [1,0,0,0,0,0|1,1,1]=4 47 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [1,0,0,0,0,0|1,0,2]=4 48 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [1,0,0,0,0,0|1,0,1]=3 50 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [1,0,0,0,0,0|1,1,1]=4 51 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [1,0,0,0,0,0|1,0,2]=4 52 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [1,0,0,0,0,0|2,0,1]=4 53 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [1,0,0,0,0,0|2,0,1]=4 54 B15R2.1754 c1cc(cc2c1cc(c(n2)Cl)C=O)F AB51974 [0,1,0,0,0,0|3,0,0]=4 55 B15R2.1824 CCc1cc2cc(ccc2nc1N)F AB51669 [0,1,0,0,0,0|2,0,1]=4 56 B15R2.1824 c1cc2c(cc1F)cc(c(n2)Cl)C#N AB51949 [0,1,0,0,0,0|2,0,1]=4 57 B15R2.1824 c1cc2c(cc1F)cc(c(n2)Cl)C=O AB23746 [0,1,0,0,0,0|1,0,2]=4 58 B15R2.1824 c1cc2c(cc1F)cc(c(n2)Cl)CCl AB51925 [0,1,0,0,0,0|2,0,1]=4 59 B15R2.13982 CC1(C(=O)Nc2ccc(cc2O1)F)C AB72684 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [0,0,1,0,0,0|2,1,0]=4 61 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,0,0,0,1,0|1,0,1]=3 62 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,0,0,0,1,0|1,1,1]=4 63 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,1,0,0,0|0,0,2]=4 65 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [1,0,1,0,0,0|1,1,0]=4 66 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [2,0,0,0,0,0|0,1,1]=4 69 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [2,0,0,0,0,0|1,0,0]=3 70 B12R2.24 c1cc2cnccc2cc1F MB09677 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [2,0,0,0,0,0|1,0,1]=4 73 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|1,0,1]=4 77 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|2,0,0]=4 79 B14R2.134 c1cc(cc2c1ccc(c2)O)C#N MB06812 [1,1,0,0,0,0|2,0,0]=4 80 B14R2.134 c1cc2c(cc1F)cc(cn2)C=O AB70025 [1,1,0,0,0,0|0,0,2]=4 81 B14R2.134 c1cc2c(cc1F)cc(cn2)CN AB70028 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [1,1,0,0,0,0|1,0,1]=4 83 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.2332 c1cc(nc2c1cc(cc2)F)CCl AB60115 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.2332 c1cc2c(ccc(=O)[nH]2)cc1C#N MB06791 [1,1,0,0,0,0|1,0,0]=3 86 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl AB05604 [1,1,0,0,0,0|1,0,1]=4 87 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)N AB23700 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.8235 Cc1cc(cc2c1[nH]c(=O)cc2)Br MB09777 [1,1,0,0,0,0|0,1,0]=3 89 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)Cl AB13083 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O AB55923 [1,1,0,0,0,0|0,0,2]=4 91 B14R2.8235 c1c(cc(c2c1OCC(=O)N2)F)F AB72668 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.8235 c1cc2c(cc1F)c(=O)oc(=O)[nH]2 AB13979 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.8235 c1cc2c(cc1O)c(=O)oc(=O)[nH]2 AB07204 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.29369 Cc1ccc2c(c1)ccc(=O)n2C MB01954 [1,1,0,0,0,0|1,0,0]=3 95 B14R2.29369 Cn1c2ccc(cc2ccc1=O)Br MB10578 [1,1,0,0,0,0|0,1,0]=3 96 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 MB00814 [0,1,0,0,1,0|1,0,1]=4 97 B14R2.4507 c1cc2c(cc1F)C(C(=O)N2)(F)F AB84727 [0,1,0,0,1,0|1,0,1]=4 98 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O MB01226 [0,1,0,0,1,0|1,0,1]=4 99 B14R2.9184 c1c(cc(c2c1C(=O)C(=O)N2)F)F AB51119 [0,1,0,0,1,0|0,0,1]=3 100 B14R2.19008 c1cc2c(cc1F)C(C(=O)N2)CN AB28145 [0,1,0,0,1,0|1,0,1]=4 101 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,1,0|1,0,1]=4 102 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F AB15600 [0,1,0,0,1,0|1,0,1]=4 103 B16R2.23521 Cc1c(cc2cc(ccc2n1)F)C(=O)O AB13077 [0,2,0,0,0,0|1,0,1]=4 104 B16R2.23521 c1cc2c(cc1Br)nc(c(=O)[nH]2)C(=O)O MB05893 [0,2,0,0,0,0|1,1,0]=4 105 B16R2.23521 c1cc2c(cc1Cl)nc(c(=O)[nH]2)C(=O)O MB05892 [0,2,0,0,0,0|1,1,0]=4 106 B16R2.23521 c1cc2c(cc1F)nc(c(=O)[nH]2)C(=O)O MB05888 [0,2,0,0,0,0|1,0,0]=3 107 B14R2.7969 Cc1cccc2c1oc(c2)C(=O)O MB09960 [0,0,1,1,0,0|2,0,0]=4 108 B14R2.7969 c1cc2c(c(c1)F)oc(n2)C(=O)O AB57691 [0,0,1,1,0,0|2,0,0]=4 109 B14R2.7969 c1cc2cc(oc2c(c1)Br)C(=O)O MB08955 [0,0,1,1,0,0|1,1,0]=4 110 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O AB14112 [0,0,1,0,1,0|1,0,1]=4 111 B12R1.354 c1cc(c(cc1F)C(=O)C=O)F AB49787 [0,0,1,0,1,0|1,0,1]=4 112 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [1,0,0,0,1,0|0,0,2]=4 113 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [1,0,0,0,1,0|0,0,2]=4 114 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [1,0,0,0,1,0|1,0,1]=4 115 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [1,0,0,0,1,0|1,0,1]=4