0 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 c1c(cncn1)CCC(=O)O A2Z00050326 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 c1ccc(cc1)OCC(=S)N A2Z00038412 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.91 c1ccnc(c1)CCC(=O)O A2Z00094491 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,0,0,0,0|1,0,1]=3 15 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.21 CC(CCc1ccc(cc1)Br)N A2Z00049943 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.21 Cc1cc[n+](cc1)CCC(=O)O A2Z00069168 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.21 Cc1ccc(cc1)CCC(=O)O A2Z00082764 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.21 Cc1ccc(cc1)OCC(=O)Cl A2Z00038613 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.21 Cc1ccc(cc1)OCC(=O)O A2Z00097825 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.21 c1cc(ccc1CCC(=O)O)Cl A2Z00038303 [0,1,0,0,0,0|2,0,0]=3 23 B12R1.21 c1cc(ccc1CCC(=O)O)F A2Z00039157 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.21 c1cc(ccc1CCC(=O)O)O A2Z00096742 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.21 c1cc(ccc1NCC(=O)O)Cl A2Z00056215 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.21 c1cc(ccc1SCC(=O)O)Br A2Z00096549 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A2Z00094527 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A2Z00034000 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A2Z00093401 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.21 c1cc(ncc1CCC(=O)O)N A2Z00097668 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.27 COC(=O)CCc1cncnc1 A2Z00096619 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 CC(C)C(Cc1ccccc1)O A2Z00048082 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.107 CC(C)CC(c1ccccc1)O A2Z00048081 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.107 CC(CC(=O)O)c1ccccc1 A2Z00094013 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.125 CC(=O)COc1ccccc1Br A2Z00094587 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.125 c1ccc(c(c1)OCC(=O)Cl)Cl A2Z00069792 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl A2Z00062552 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.226 CC(=O)COc1cccc(c1)Br A2Z00094586 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.226 c1cc(cc(c1)Br)OCC(=O)O A2Z00078437 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.226 c1cc(cc(c1)F)CCC(=O)O A2Z00094264 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl A2Z00041387 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.891 c1ccc(cc1)CCS(=O)(=O)O A2Z00009461 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,1,0,0|2,0,0]=3 62 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,1,0,0|3,0,0]=4 63 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,0,0,1,0|1,0,0]=2 65 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [0,0,0,0,1,0|1,1,0]=3 66 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [0,0,0,0,1,0|3,0,0]=4 67 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,0,0,0,1,0|3,0,0]=4 68 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [0,0,0,0,1,0|3,0,0]=4 69 B12R1.252 c1cc(cnc1)CCCC(=O)O A2Z00049190 [0,0,0,0,0,1|3,0,0]=4 70 B12R1.252 c1ccc(cc1)CNCC(=O)O A2Z00095934 [0,0,0,0,0,1|2,0,0]=3 71 B12R1.252 c1ccc(cc1)NCCC(=O)O A2Z00094158 [0,0,0,0,0,1|2,0,0]=3 72 B12R1.252 c1ccc(cc1)OCCC(=O)O A2Z00077109 [0,0,0,0,0,1|2,0,0]=3 73 B12R1.252 c1ccc(cc1)SCCC(=O)O A2Z00085612 [0,0,0,0,0,1|2,0,0]=3 74 B9R1.8 CNCc1ccccc1 A2Z00093451 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [2,0,0,0,0,0|1,0,1]=4 76 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [2,0,0,0,0,0|1,0,1]=4 79 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.1 CCCCc1ccc(cc1)N A2Z00038653 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [0,1,0,0,1,0|0,0,0]=2 84 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [0,1,0,0,1,0|1,0,0]=3 85 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,0,0,1,0|0,0,0]=2 86 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,1,0,0,1,0|1,0,0]=3 87 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,1,0,0,1,0|1,0,0]=3 88 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,1,0,0,1,0|1,0,0]=3 89 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,1,0,0,1,0|1,0,0]=3 90 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,0,0,1,0|0,0,0]=2 91 B11R1.157 CC(=O)Nc1ccnc(c1)Cl A2Z00029852 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.157 CC(C)Cc1cccc(c1)N A2Z00048066 [0,1,0,0,1,0|1,0,1]=4 93 B11R1.157 CN(C)Cc1cccc(c1)O A2Z00049745 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,0,0,1,0|0,0,0]=2 95 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A2Z00095204 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.25 c1cc(oc1)CNC(=O)CCl A2Z00056809 [0,1,0,0,1,0|2,0,0]=4 97 B13R1.45 CC(=O)CCC(=O)c1ccccn1 A2Z00048090 [0,1,0,0,0,1|2,0,0]=4 98 B13R1.45 CC(=O)CCC(=O)c1cccnc1 A2Z00048091 [0,1,0,0,0,1|2,0,0]=4 99 B13R1.45 CC(=O)CCC(=O)c1ccncc1 A2Z00048092 [0,1,0,0,0,1|2,0,0]=4 100 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O A2Z00097839 [0,1,0,0,0,1|2,0,0]=4 101 B13R1.149 Cc1cccc(c1)OCCC(=O)O A2Z00096657 [0,1,0,0,0,1|2,0,0]=4 102 B13R1.149 c1cc(cc(c1)Cl)CCCC(=O)O A2Z00048891 [0,1,0,0,0,1|2,0,0]=4 103 B13R1.149 c1cc(cc(c1)Cl)CNCC(=O)O A2Z00048014 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.149 c1cc(cc(c1)N)CCCC(=O)O A2Z00049399 [0,1,0,0,0,1|2,0,0]=4 105 B13R1.158 Cc1ccccc1CCCC(=O)O A2Z00048887 [0,1,0,0,0,1|2,0,0]=4 106 B13R1.158 c1ccc(c(c1)CCCC(=O)N)Cl A2Z00095109 [0,1,0,0,0,1|2,0,0]=4 107 B13R1.158 c1ccc(c(c1)CCCC(=O)O)Cl A2Z00048890 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.158 c1ccc(c(c1)CCCC(=O)O)F A2Z00094521 [0,1,0,0,0,1|2,0,0]=4 109 B13R1.158 c1ccc(c(c1)OCCC(=O)O)Cl A2Z00073842 [0,1,0,0,0,1|2,0,0]=4 110 B13R1.513 Cc1ccc(cc1)CCCC(=O)Cl A2Z00046336 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.513 Cc1ccc(cc1)CCCC(=O)O A2Z00046329 [0,1,0,0,0,1|2,0,0]=4 112 B13R1.513 Cc1ccc(cc1)OCCC(=O)O A2Z00070855 [0,1,0,0,0,1|2,0,0]=4 113 B13R1.513 c1cc(ccc1CCCC(=O)Cl)F A2Z00046338 [0,1,0,0,0,1|2,0,0]=4 114 B13R1.513 c1cc(ccc1CCCC(=O)O)Cl A2Z00094023 [0,1,0,0,0,1|2,0,0]=4 115 B13R1.513 c1cc(ccc1CCCC(=O)O)F A2Z00094022 [0,1,0,0,0,1|2,0,0]=4 116 B13R1.513 c1cc(ccc1OCCC(=O)O)Cl A2Z00098564 [0,1,0,0,0,1|2,0,0]=4 117 B13R1.513 c1cc(ccc1OCCC(=O)O)F A2Z00095257 [0,1,0,0,0,1|2,0,0]=4 118 B13R1.718 COC(=O)CNCc1ccccc1 A2Z00096124 [0,1,0,0,0,1|1,0,0]=3 119 B13R1.3523 CC(C)(COCc1ccccc1)N A2Z00070300 [0,1,0,0,0,1|1,0,1]=4 120 B13R1.3 CC(=O)CSc1ccc(cc1)OC A2Z00096137 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.3 COc1ccc(cc1)CNC(=O)N A2Z00085519 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.14 COC(=O)\C=C\c1ccc(cc1)O A2Z00098111 [0,2,0,0,0,0|1,0,1]=4 123 B13R1.14 Cc1ccc(cc1)CCC(=O)OC A2Z00096852 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.14 c1cc(ccc1CNC(=O)CN)Cl A2Z00044973 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl A2Z00094726 [0,2,0,0,0,0|1,0,1]=4 126 B13R1.132 CC(CC(=O)O)c1ccc(cc1)Cl A2Z00046281 [0,2,0,0,0,0|2,0,0]=4 127 B13R1.132 CC(CC(=O)O)c1ccc(cc1)F A2Z00046280 [0,2,0,0,0,0|2,0,0]=4 128 B13R1.132 c1cc(ccc1C(CC(=O)O)N)F A2Z00095297 [0,2,0,0,0,0|2,0,0]=4 129 B13R1.133 CC(Cc1ccc(cc1)Cl)C(=O)O A2Z00046444 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)Cl A2Z00046445 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O A2Z00046443 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.133 c1cc(ccc1CC(C(=O)O)O)F A2Z00048099 [0,2,0,0,0,0|2,0,0]=4 133 B13R1.511 Cc1ccc(cc1C)CCC(=O)O A2Z00096813 [0,2,0,0,0,0|2,0,0]=4 134 B13R1.11 CC(c1ccccc1)NC(=O)CO A2Z00068366 [0,2,0,0,0,0|1,0,0]=3 135 B13R1.11 COC(=O)CC(=O)c1ccccc1 A2Z00049206 [0,2,0,0,0,0|1,0,1]=4 136 B13R1.135 COC(=O)C(Cc1ccccc1)Br A2Z00047235 [0,2,0,0,0,0|1,0,0]=3 137 B13R1.135 COC(=O)C(Cc1ccccc1)Cl A2Z00048897 [0,2,0,0,0,0|1,0,0]=3 138 B13R1.135 COC(=O)C(Cc1ccccc1)N A2Z00069276 [0,2,0,0,0,0|1,0,0]=3 139 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O A2Z00096319 [0,2,0,0,0,0|2,0,0]=4 140 B13R1.202 CC(Cc1ccccc1F)C(=O)O A2Z00046442 [0,2,0,0,0,0|2,0,0]=4 141 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl A2Z00094135 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)O A2Z00069866 [0,2,0,0,0,0|2,0,0]=4 143 B13R1.147 CC(CC(=O)O)c1cccc(c1)Cl A2Z00049233 [0,2,0,0,0,0|2,0,0]=4 144 B13R1.347 CC(C)(CC(=O)O)c1ccccc1 A2Z00039153 [0,2,0,0,0,0|2,0,0]=4 145 B13R1.713 c1ccc(cc1)C(CC(=O)O)C#N A2Z00094745 [0,2,0,0,0,0|2,0,0]=4 146 B11R2.10 Cc1cc2ccccc2s1 A2Z00094894 [0,0,0,1,1,0|0,1,1]=4 147 B11R2.10 Cc1nc2ccccc2s1 A2Z00096101 [0,0,0,1,1,0|1,1,0]=4 148 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [0,0,0,1,1,0|2,0,0]=4 149 B13R2.10 c1ccc(cc1)C2=NNC(=O)C2 A2Z00096113 [0,0,0,1,0,1|1,0,1]=4 150 B13R2.163 c1ccc2c(c1)CCCC(=O)O2 A2Z00096661 [0,0,0,1,0,1|2,0,0]=4 151 B13R2.423 c1ccc(cc1)C2CC2C(=O)O A2Z00048075 [0,0,0,1,0,1|2,0,0]=4 152 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,1,0,1,0,0|1,0,0]=3 153 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,1,0,1,0,0|2,0,0]=4 154 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,1,0,1,0,0|1,0,1]=4 155 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 A2Z00097940 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,0,0,0,2,0|1,0,0]=3 157 B9R1.6 CC(c1ccccc1)N A2Z00093463 [0,0,0,0,2,0|1,0,1]=4 158 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [0,0,0,0,2,0|2,0,0]=4 159 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,0,0,0,2,0|2,0,0]=4 160 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,0,0,0,2,0|2,0,0]=4 161 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,0,0,0,2,0|2,0,0]=4 162 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,0,0,0,2,0|2,0,0]=4 163 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,0,0,0,2,0|2,0,0]=4 164 B13R1.337 c1ccc(cc1)CCCCC(=O)Cl A2Z00046340 [0,0,0,0,0,2|2,0,0]=4 165 B13R1.337 c1ccc(cc1)OCCCC(=O)O A2Z00034513 [0,0,0,0,0,2|2,0,0]=4