0 B12R1.121 COc1ccccc1CCC=O AB42265 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.121 COc1ccccc1CCCN AB07599 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.17 Cc1ccccc1CCC=O AB42260 [1,0,0,0,0,0|0,0,2]=3 3 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.41 COc1ccccc1CC=O AB02842 [1,0,0,0,0,0|0,0,1]=2 7 B11R1.41 COc1ccccc1CNN PB34218 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.90 COc1ccccc1CCC(=O)O AB00262 [0,1,0,0,0,0|0,0,2]=3 9 B13R1.464 COc1ccccc1C(=O)CC#N AB10610 [0,1,0,0,0,0|1,0,2]=4 10 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [0,0,0,1,0,0|3,0,0]=4 11 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.45 CC1=C(N=C2=C1C=CC=C2)C=O AB07796 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.45 Cn1c2ccccc2cc1CO AB18955 [0,0,0,1,0,0|1,0,2]=4 15 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.57 c1cc2cc(cnc2nc1)C=O AB68442 [0,0,0,1,0,0|2,0,1]=4 18 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.57 c1ccc2c(c1)C=C(CO2)C#N AB04718 [0,0,0,1,0,0|1,0,1]=3 21 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,0,0,1,0,0|0,0,0]=1 22 B13R2.57 c1ccc2c(c1)CC(CO2)C=O AB56552 [0,0,0,1,0,0|0,0,2]=3 23 B13R2.57 c1ccc2c(c1)OCC(O2)C=O AB11943 [0,0,0,1,0,0|1,0,1]=3 24 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,0,0,1,0,0|2,0,0]=3 28 B13R2.573 COc1cccc2c1CNC2=O AB51007 [0,0,0,1,0,0|1,0,1]=3 29 B13R2.573 COc1cccc2c1OCC2=O MB01147 [0,0,0,1,0,0|1,0,1]=3 30 B13R2.1613 C#Cc1cccc2c1cccn2 AB42083 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.1613 COc1cccc2c1cncc2 AB49764 [0,0,0,1,0,0|2,0,0]=3 32 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [0,0,0,1,0,0|3,0,0]=4 33 B13R2.1613 c1cc(c2cccnc2c1)CN AB28304 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.4 Cc1ccccc1CC=O AB11813 [2,0,0,0,0,0|0,0,1]=3 35 B10R1.17 c1ccc(cc1)CCC=O AB00823 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.20 C#Cc1ccccc1C=O AB17472 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.20 COc1c(cccn1)C=O PB26137 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.20 COc1c(nccn1)C=O AB55611 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.20 COc1ccccc1C#N AB00156 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.20 COc1ccccc1C=O AB00311 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.20 COc1cccnc1C=O AB22246 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.20 COc1ccncc1C=O AB17569 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.20 COc1cnccc1C=O AB17541 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.20 CSc1c(cccn1)C=O MB07044 [2,0,0,0,0,0|1,1,0]=4 45 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.77 COc1ccccc1C(=N)OC AB60967 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [1,1,0,0,0,0|0,0,0]=2 48 B14R1.840 COc1ccccc1C(CC(=O)O)N AB10458 [0,2,0,0,0,0|0,0,2]=4 49 B14R1.840 COc1ccccc1[C@@H](CC(=O)O)N AB17726 [0,2,0,0,0,0|0,0,2]=4 50 B14R1.840 COc1ccccc1[C@H](CC(=O)O)N AB17791 [0,2,0,0,0,0|0,0,2]=4 51 B14R1.3135 COc1ccccc1CC(C(=O)O)N AB14409 [0,2,0,0,0,0|0,0,2]=4 52 B14R1.3135 COc1ccccc1C[C@@H](C(=O)O)N AB09424 [0,2,0,0,0,0|0,0,2]=4 53 B14R1.3135 COc1ccccc1C[C@H](C(=O)O)N AB15916 [0,2,0,0,0,0|0,0,2]=4 54 B14R1.4522 B(c1ccccc1\C=C\C(=O)O)(O)O AB10755 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.789 COC(=O)c1ccccc1CCC=O AB42291 [0,2,0,0,0,0|0,0,2]=4 56 B12R1.435 COC(=N)c1cccc(c1)C=O AB61000 [0,0,1,1,0,0|1,0,0]=3 57 B12R1.435 COC(=O)c1cccc(n1)C=O AB31420 [0,0,1,1,0,0|2,0,0]=4 58 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.32 C1=CC2C=C(N=C2C=C1)C=O AB12824 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [1,0,0,1,0,0|0,0,0]=2 65 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [1,0,0,1,0,0|1,1,0]=4 66 B12R2.32 c1ccn2c(c1)cc(n2)C=O AB19635 [1,0,0,1,0,0|2,0,0]=4 67 B12R2.32 c1ccn2cc(cc2c1)C=O AB60664 [1,0,0,1,0,0|1,0,1]=4 68 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [1,0,0,1,0,0|1,0,1]=4 69 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [1,0,0,1,0,0|2,0,0]=4 70 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.1081 c1cc2c(cncn2)c(c1)O AB07778 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [1,0,0,1,0,0|0,0,1]=3 76 B12R2.315 COC1=C2C(=CC=N2)C=CC1 AB02030 [1,0,0,1,0,0|1,0,1]=4 77 B12R2.315 COC1=C2C=CN=C2C=CC1 PB19861 [1,0,0,1,0,0|1,0,1]=4 78 B12R2.315 COc1c2c(ccn1)cco2 PB29696 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.44 C1C=C2C=CN=C2C=C1C=O AB11369 [0,0,0,1,1,0|2,0,0]=4 80 B14R2.1146 COc1cc(nc2c1cccc2)Cl AB55891 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.1146 COc1cc(nc2c1cccc2)O AB09148 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.2332 Cc1ccc2cc(cnc2c1)C=O AB57089 [0,1,0,1,0,0|1,0,1]=4 83 B14R2.2332 c1cc(cc2c1cc(cn2)C=O)Br AB70012 [0,1,0,1,0,0|1,0,1]=4 84 B14R2.2332 c1cc(cc2c1cc(cn2)C=O)O AB57090 [0,1,0,1,0,0|1,0,1]=4 85 B14R2.4513 Cn1c2cc(ccc2ncc1=O)Br AB56064 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.92 c1ccc2c(c1)CCC(C2=O)C=O MB05571 [0,1,0,1,0,0|1,0,1]=4 87 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O CB10095 [0,1,0,1,0,0|0,0,1]=3 88 B14R2.112 c1ccc2c(c1)cc(cn2)CC=O AB57656 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.112 c1ccc2cc(ccc2c1)CC=O AB11816 [0,1,0,1,0,0|1,0,1]=4 90 B14R2.1072 COC1=C2C(=C(C=N2)C=O)C=CC1 AB12122 [0,1,0,1,0,0|0,0,1]=3 91 B14R2.1078 CCc1cccc2c1nccc2Cl AB03222 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.1078 CCc1cccc2c1nccc2N AB52089 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.1078 CCc1cccc2c1nccc2O AB03226 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.1078 COc1cccc2c1CCCC2=O MB00106 [0,1,0,1,0,0|0,0,2]=4 95 B14R2.1078 COc1cccc2c1cc[nH]c2=O AB06974 [0,1,0,1,0,0|0,0,0]=2 96 B14R2.1078 COc1cccc2c1ccnc2Cl AB64602 [0,1,0,1,0,0|1,0,0]=3 97 B14R2.1078 COc1cccc2c1ccnc2N AB69444 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.1078 COc1cccc2c1nccc2Cl AB01541 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.1078 COc1cccc2c1nccc2N AB43466 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.1078 COc1cccc2c1nccc2O AB12575 [0,1,0,1,0,0|0,0,1]=3 101 B14R2.1078 COc1ccnc2c1cc[nH]c2=O AB85038 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.2 CC(=O)OC1=c2ccccc2=NC1 AB01158 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.450 Cn1c2ccccc2nc1C(=O)O AB09980 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.781 CC(=O)C1COc2ccccc2O1 MB01186 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.781 CC(=O)c1cc2ccccc2cn1 AB25777 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O AB04721 [0,1,0,1,0,0|0,0,0]=2 107 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O AB15875 [0,1,0,1,0,0|0,0,2]=4 108 B14R2.781 c1ccc2c(c1)C[C@@H](CO2)C(=O)O AB56516 [0,1,0,1,0,0|0,0,2]=4 109 B14R2.781 c1ccc2c(c1)C[C@H](CO2)C(=O)O AB56534 [0,1,0,1,0,0|0,0,2]=4 110 B14R2.781 c1ccc2c(c1)NC(CO2)C(=O)O AB27563 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O AB02856 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.1073 COc1cccc2c1CCC(=O)C2 AB02606 [0,1,0,1,0,0|0,0,2]=4 113 B14R2.1073 COc1cccc2c1OCC(=O)C2 AB43975 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.1073 COc1cccc2c1OCC(=O)N2 MB11346 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.1073 COc1cccc2c1ccc(=O)[nH]2 MB10591 [0,1,0,1,0,0|0,0,0]=2 116 B14R2.1073 COc1ccnc2c1ccc(c2)Cl MB01887 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.7150 CNCc1cccc2c1cccc2 AB01101 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.7150 CNCc1cccc2c1cccc2 AB03923 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.7150 CNCc1cccc2c1cccn2 AB42047 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.11635 COc1cccc2c1c(ncn2)Cl AB50489 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.11635 COc1cccc2c1c(ncn2)O AB50485 [0,1,0,1,0,0|2,0,0]=4 122 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB09123 [0,1,0,1,0,0|1,0,1]=4 123 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB42933 [0,1,0,1,0,0|1,0,1]=4 124 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)C=O AB59869 [0,1,0,1,0,0|1,0,1]=4 125 B14R2.1128 c1ccc2c(c1)cc(c(n2)O)C=O AB11914 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.134 Cc1ccc2c(c1)CC(CO2)C=O AB56567 [0,1,0,1,0,0|0,0,2]=4 127 B14R2.134 c1cc2c(cc1Br)C=C(CO2)C#N AB09668 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.134 c1cc2c(cc1Br)C=C(CO2)C=O AB09671 [0,1,0,1,0,0|0,0,0]=2 129 B14R2.134 c1cc2c(cc1Br)CC(CO2)C=O AB56561 [0,1,0,1,0,0|0,0,2]=4 130 B14R2.134 c1cc2c(cc1Br)cc(cn2)C=O AB70021 [0,1,0,1,0,0|1,0,1]=4 131 B14R2.134 c1cc2c(cc1Cl)C=C(CO2)C#N AB02186 [0,1,0,1,0,0|1,0,1]=4 132 B14R2.134 c1cc2c(cc1Cl)C=C(CO2)C=O AB09675 [0,1,0,1,0,0|0,0,0]=2 133 B14R2.134 c1cc2c(cc1Cl)CC(CO2)C=O AB56556 [0,1,0,1,0,0|0,0,2]=4 134 B14R2.134 c1cc2c(cc1F)CC(CO2)C=O AB56557 [0,1,0,1,0,0|0,0,2]=4 135 B14R2.134 c1cc2c(cc1F)cc(cn2)C=O AB70025 [0,1,0,1,0,0|1,0,1]=4 136 B14R2.29369 Cc1ccc2c(c1)ccc(=O)n2C MB01954 [0,1,0,1,0,0|1,0,0]=3 137 B14R2.29369 Cn1c2ccc(cc2ccc1=O)Br MB10578 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.28523 Cn1c(=O)ccc2c1c(ccc2)Br MB10242 [0,1,0,1,0,0|1,0,0]=3