0 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br MB06176 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl MB02033 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N AB09976 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,0,0,0,0,0|3,0,0]=3 10 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C AB42073 [0,0,0,0,0,0|4,0,0]=4 11 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C AB05771 [0,0,0,0,0,0|4,0,0]=4 12 B14R2.8239 Cc1ccc2cc(c(cc2n1)C)C AB45155 [0,0,0,0,0,0|4,0,0]=4 13 B14R2.8239 Cc1ccc2cc(c(cc2n1)Cl)Cl AB05547 [0,0,0,0,0,0|4,0,0]=4 14 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,0,0,0,0,0|2,0,1]=3 15 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,0,0,0,0,0|2,0,1]=3 16 B14R2.8239 c1cc2=NC(=O)C(=O)N=c2cc1Br MB07877 [0,0,0,0,0,0|2,0,2]=4 17 B14R2.8239 c1cc2c(cc1Cl)NC(=O)C(C2)N AB27601 [0,0,0,0,0,0|2,0,2]=4 18 B13R2.155 Cc1cc2c(ccc(=O)[nH]2)cn1 AB85046 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.155 Cc1cc2cc(ccc2nc1)Br AB49939 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [1,0,0,0,0,0|1,0,1]=3 22 B13R2.155 Cc1ccc2c(n1)NC(=O)CC2 AB70359 [1,0,0,0,0,0|1,0,2]=4 23 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [1,0,0,0,0,0|0,0,0]=1 24 B13R2.155 Cc1ccc2ccc(cc2n1)Br AB52370 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.155 Cc1ccc2ccc(cc2n1)F AB12293 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [1,0,0,0,0,0|1,0,0]=2 27 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [1,0,0,0,0,0|1,0,0]=2 29 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br AB27609 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.155 c1cc(cc2c1ccc(n2)N)Br MB05231 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.155 c1cc(cc2c1ccc(n2)N)Cl MB10580 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [1,0,0,0,0,0|2,0,1]=4 36 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [1,0,0,0,0,0|1,0,2]=4 38 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [1,0,0,0,0,0|1,0,2]=4 39 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [1,0,0,0,0,0|2,0,1]=4 41 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [1,0,0,0,0,0|1,0,2]=4 42 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [1,0,0,0,0,0|1,0,2]=4 45 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [1,0,0,0,0,0|1,0,2]=4 46 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [1,0,0,0,0,0|2,0,1]=4 47 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [1,0,0,0,0,0|2,0,1]=4 48 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [1,0,0,0,0,0|3,0,0]=4 50 B13R2.3683 Cc1ccc2c(c1)ccc(n2)Cl AB06125 [1,0,0,0,0,0|3,0,0]=4 51 B13R2.3683 Cc1ccc2c(c1)ccc(n2)N AB43746 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.3683 Cc1ccc2cc(ccc2n1)Br AB03064 [1,0,0,0,0,0|3,0,0]=4 53 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [1,0,0,0,0,0|2,0,1]=4 54 B13R2.3683 c1cc(cc2c1cc(cn2)Cl)Br CB11977 [1,0,0,0,0,0|2,0,1]=4 55 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [1,0,0,0,0,0|2,0,1]=4 56 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [1,0,0,0,0,0|3,0,0]=4 57 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [1,0,0,0,0,0|2,0,1]=4 59 B15R2.1754 CCc1cc2ccc(cc2nc1N)C AB05807 [0,1,0,0,0,0|2,0,1]=4 60 B15R2.1754 Cc1ccc2cc(c(nc2c1)Cl)C#N AB45101 [0,1,0,0,0,0|2,0,1]=4 61 B15R2.1754 Cc1ccc2cc(c(nc2c1)Cl)C=O AB09095 [0,1,0,0,0,0|1,0,2]=4 62 B15R2.1754 Cc1ccc2cc(c(nc2c1)Cl)CCl AB14993 [0,1,0,0,0,0|2,0,1]=4 63 B15R2.13981 Cc1ccc2cc(c(nc2c1C)Cl)C AB49572 [0,1,0,0,0,0|2,0,1]=4 64 B15R2.13981 Cc1ccc2cc(c(nc2c1C)N)C AB51664 [0,1,0,0,0,0|2,0,1]=4 65 B15R2.21336 CC1C(=O)Nc2cc(ccc2O1)OC MB08914 [0,1,0,0,0,0|2,0,1]=4 66 B15R2.21336 CCc1ccc2cc(c(nc2c1)Cl)C AB51961 [0,1,0,0,0,0|2,0,1]=4 67 B15R2.21336 CSc1ncc2cc(c(=O)[nH]c2n1)Br PB27286 [0,1,0,0,0,0|3,0,0]=4 68 B15R2.21336 Cc1cc2ccc(cc2nc1Cl)OC AB51977 [0,1,0,0,0,0|2,0,1]=4 69 B15R2.21336 Cc1cc2ccc(cc2nc1N)OC AB05802 [0,1,0,0,0,0|2,0,1]=4 70 B15R2.59733 Cc1cc(c2cc(c(nc2c1)Cl)C)C AB51892 [0,1,0,0,0,0|2,0,1]=4 71 B15R2.59733 Cc1cc(c2cc(c(nc2c1)N)C)C AB51652 [0,1,0,0,0,0|2,0,1]=4 72 B15R2.62227 Cc1cc2cc(c(nc2cc1C)Cl)C AB51898 [0,1,0,0,0,0|2,0,1]=4 73 B15R2.62227 Cc1cc2cc(c(nc2cc1C)N)C AB51654 [0,1,0,0,0,0|2,0,1]=4 74 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)C AB01660 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,0,0,0,1,0|1,0,1]=3 76 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,0,0,0,1,0|1,0,1]=3 77 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [1,0,1,0,0,0|2,0,0]=4 78 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [1,0,1,0,0,0|2,0,0]=4 79 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [1,0,1,0,0,0|2,0,0]=4 80 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,1,0,0,0|0,0,2]=4 81 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [2,0,0,0,0,0|1,0,0]=3 84 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.24 c1cc2cnccc2cc1O AB19117 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [2,0,0,0,0,0|1,0,1]=4 88 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [2,0,0,0,0,0|1,0,1]=4 89 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [2,0,0,0,0,0|1,0,1]=4 91 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [2,0,0,0,0,0|2,0,0]=4 93 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 AB44261 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [1,1,0,0,0,0|0,0,0]=2 95 B14R2.134 CSc1ncc2ccc(=O)[nH]c2n1 PB14300 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.134 Cc1ccc2ccc(cc2n1)OC AB52428 [1,1,0,0,0,0|1,0,1]=4 97 B14R2.134 c1cc2c(cc1C=O)[nH]c(=O)cn2 MB69331 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.134 c1cc2c(cc1CO)NC(=O)CC2 CB11738 [1,1,0,0,0,0|0,0,2]=4 99 B14R2.4513 Cc1ccc2ccc(nc2c1C)C AB45157 [1,1,0,0,0,0|1,0,1]=4 100 B14R2.4513 Cn1c2cc(ccc2ncc1=O)Br AB56064 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.29365 Cc1cc(c2c(c1)NC(=O)CO2)C AB49698 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.29365 Cc1ccc2=C(CC(=O)N=c2c1)O MB03850 [1,1,0,0,0,0|0,0,2]=4 104 B14R2.29365 Cc1ccc2c(c1)nc(cc2Cl)C AB52100 [1,1,0,0,0,0|1,0,1]=4 105 B14R2.29365 Cc1ccc2c(c1)nc(cc2O)C AB09283 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.29365 Cc1ccc2c(cc(cc2n1)C)C AB51599 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.29365 Cc1ccc2c(cc(nc2c1)C)N AB10429 [1,1,0,0,0,0|1,0,1]=4 108 B14R2.1128 c1ccc2c(c1)cc(c(n2)C=O)Br AB46109 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.2332 COc1ccc2cc(cnc2c1)Br MB10604 [1,1,0,0,0,0|1,0,1]=4 112 B14R2.2332 Cc1ccc2cc(cnc2c1)C=O AB57089 [1,1,0,0,0,0|0,0,2]=4 113 B14R2.2332 c1cc2cc(ccc2cc1CO)N AB50496 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)O)C AB03192 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 MB00814 [0,1,0,0,1,0|1,0,1]=4 116 B14R2.9184 Cc1cc2c(c(c1)Br)NC(=O)C2=O MB01226 [0,1,0,0,1,0|1,0,1]=4 117 B14R2.8737 c1cc(c(c2c1C(=O)C(=O)N2)F)F AB51167 [0,1,0,0,1,0|1,0,1]=4 118 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Br)Br MB07222 [0,1,0,0,1,0|1,0,1]=4 119 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl PB30714 [0,1,0,0,1,0|1,0,1]=4 120 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F AB15600 [0,1,0,0,1,0|1,0,1]=4 121 B16R2.23520 Cc1ccc2cc(c(nc2c1)C)C(=O)O AB17024 [0,2,0,0,0,0|1,0,1]=4 122 B14R2.4529 Cc1ccc2c(c1)oc(n2)C(=O)O AB57685 [0,0,1,1,0,0|2,0,0]=4 123 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [0,0,1,1,0,0|1,0,0]=3 124 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br MB02552 [0,0,1,1,0,0|2,0,0]=4 125 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [1,0,0,0,1,0|1,0,1]=4 126 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [1,0,0,0,1,0|1,0,1]=4 127 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [1,0,0,0,1,0|1,0,1]=4 128 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [1,0,0,0,1,0|1,0,1]=4 129 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [1,0,0,0,1,0|1,0,1]=4 130 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [1,0,0,0,1,0|1,0,1]=4 131 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [1,0,0,0,1,0|1,0,1]=4 132 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [1,0,0,0,1,0|1,0,1]=4 133 B12R2.612 Cn1ccc2c1ncc(c2)O AB48843 [1,0,0,0,1,0|1,0,1]=4