0 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 c1c(cncn1)CCC(=O)O A2Z00050326 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.91 c1ccc(cc1)OCC(=S)N A2Z00038412 [0,0,0,0,0,0|1,1,0]=2 5 B11R1.91 c1ccnc(c1)CCC(=O)O A2Z00094491 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,0,0,0,0,0|0,0,1]=2 12 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,0,0,0,0,0|0,1,1]=3 13 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,0,0,0,0|1,0,1]=3 14 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.21 CC(COc1ccc(cc1)Cl)N A2Z00073642 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.21 Cc1cc[n+](cc1)CCC(=O)O A2Z00069168 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.21 Cc1ccc(cc1)CCC(=O)O A2Z00082764 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.21 Cc1ccc(cc1)OCC(=O)Cl A2Z00038613 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.21 Cc1ccc(cc1)OCC(=O)O A2Z00097825 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.21 c1cc(ccc1CCC(=O)O)Cl A2Z00038303 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.21 c1cc(ccc1CCC(=O)O)F A2Z00039157 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.21 c1cc(ccc1CCC(=O)O)O A2Z00096742 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.21 c1cc(ccc1NCC(=O)O)Cl A2Z00056215 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.21 c1cc(ccc1SCC(=O)O)Br A2Z00096549 [0,1,0,0,0,0|0,1,0]=2 26 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A2Z00094527 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A2Z00034000 [0,1,0,0,0,0|1,0,1]=3 28 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A2Z00093401 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.21 c1cc(ncc1CCC(=O)O)N A2Z00097668 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.27 COC(=O)CCc1cncnc1 A2Z00096619 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.107 CC(CC(=O)O)c1ccccc1 A2Z00094013 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [0,1,0,0,0,0|1,0,1]=3 42 B12R1.125 CC(=O)COc1ccccc1Br A2Z00094587 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.125 Cc1ccccc1OCC(=S)N A2Z00038413 [0,1,0,0,0,0|1,1,0]=3 45 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.125 c1ccc(c(c1)OCC(=O)Cl)Cl A2Z00069792 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl A2Z00062552 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.226 CC(=O)COc1cccc(c1)Br A2Z00094586 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.226 c1cc(cc(c1)Br)OCC(=O)O A2Z00078437 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.226 c1cc(cc(c1)F)CCC(=O)O A2Z00094264 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl A2Z00041387 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.891 c1ccc(cc1)CCS(=O)(=O)O A2Z00009461 [0,1,0,0,0,0|2,0,0]=3 60 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,0,0,1,0,0|2,0,1]=4 61 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,0,0,1,0,0|2,0,0]=3 62 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,1,0,0|2,0,0]=3 63 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,1,0,0|1,0,0]=2 64 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,1,0,0|2,0,0]=3 65 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,0,0,1,0|1,0,0]=2 66 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [0,0,0,0,1,0|1,1,0]=3 67 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [0,0,0,0,1,0|2,0,0]=3 68 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [0,0,0,0,1,0|2,0,1]=4 69 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,0,0,0,1,0|2,0,0]=3 70 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [0,0,0,0,1,0|2,0,1]=4 71 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [0,0,0,0,1,0|2,0,1]=4 73 B10R1.66 c1cscc1\C=C\C(=O)O A2Z00096366 [0,0,0,0,1,0|2,0,1]=4 74 B12R1.252 c1cc(cnc1)CCCC(=O)O A2Z00049190 [0,0,0,0,0,1|2,0,0]=3 75 B12R1.252 c1ccc(cc1)CNCC(=O)O A2Z00095934 [0,0,0,0,0,1|1,0,0]=2 76 B12R1.252 c1ccc(cc1)NCCC(=O)O A2Z00094158 [0,0,0,0,0,1|1,0,0]=2 77 B12R1.252 c1ccc(cc1)OCCC(=O)O A2Z00077109 [0,0,0,0,0,1|0,0,0]=1 78 B12R1.252 c1ccc(cc1)SCCC(=O)O A2Z00085612 [0,0,0,0,0,1|0,1,0]=2 79 B9R1.8 CNCc1ccccc1 A2Z00093451 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [2,0,0,0,0,0|1,0,1]=4 82 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [2,0,0,0,0,0|1,0,1]=4 83 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [2,0,0,0,0,0|1,0,1]=4 84 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [2,0,0,0,0,0|2,0,0]=4 85 B11R1.1 Cc1ccc(cc1)CCCO A2Z00056898 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.1 Cc1ccc(cc1)OCCBr A2Z00097203 [1,1,0,0,0,0|1,0,1]=4 87 B11R1.1 Cc1ccc(cc1)OCCN A2Z00038364 [1,1,0,0,0,0|1,0,1]=4 88 B11R1.1 c1cc(ccc1N)OCCO A2Z00087180 [1,1,0,0,0,0|0,0,1]=3 89 B11R1.1 c1cc(ccc1OCC#N)Cl A2Z00038574 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.1 c1cc(ccc1OCCO)F A2Z00048012 [1,1,0,0,0,0|0,0,1]=3 91 B11R1.17 Cc1ccccc1OCC#N A2Z00093924 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.17 Cc1ccccc1OCCN A2Z00038376 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.17 c1ccc(c(c1)OCC#N)Cl A2Z00038567 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.24 CCCOc1cccc(c1)N A2Z00056908 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.24 Cc1cccc(c1)OCC#N A2Z00093937 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.24 Cc1cccc(c1)OCCN A2Z00038377 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.24 c1cc(cc(c1)Br)OCCN A2Z00038575 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.28 c1ccc(cc1)OCCCN A2Z00077141 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [1,1,0,0,0,0|0,0,1]=3 101 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [1,1,0,0,0,0|1,0,1]=4 102 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [0,1,0,0,1,0|1,0,0]=3 105 B11R1.20 c1cc(ccc1CC(=O)O)O A2Z00062185 [0,1,0,0,1,0|0,0,0]=2 106 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,0,0,1,0|1,0,0]=3 107 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl A2Z00094848 [0,1,0,0,1,0|1,0,0]=3 108 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl A2Z00094634 [0,1,0,0,1,0|0,0,0]=2 109 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,1,0,0,1,0|2,0,0]=4 110 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,1,0,0,1,0|0,0,0]=2 111 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,0,0,1,0|1,0,0]=3 112 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,0,0,1,0|1,0,0]=3 113 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A2Z00095204 [0,1,0,0,1,0|1,0,1]=4 114 B13R1.45 c1cc(cnc1)C(=O)CCC(=O)O A2Z00094637 [0,1,0,0,0,1|2,0,0]=4 115 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O A2Z00097839 [0,1,0,0,0,1|1,0,0]=3 116 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)O A2Z00038585 [0,1,0,0,0,1|1,0,0]=3 117 B13R1.45 c1ccc(cc1)C(=O)\C=C\C(=O)O A2Z00021923 [0,1,0,0,0,1|1,0,1]=4 118 B13R1.149 Cc1cccc(c1)OCCC(=O)O A2Z00096657 [0,1,0,0,0,1|0,0,0]=2 119 B13R1.149 c1cc(cc(c1)Cl)CCCC(=O)O A2Z00048891 [0,1,0,0,0,1|1,0,0]=3 120 B13R1.149 c1cc(cc(c1)Cl)CNCC(=O)O A2Z00048014 [0,1,0,0,0,1|1,0,0]=3 121 B13R1.149 c1cc(cc(c1)N)CCCC(=O)O A2Z00049399 [0,1,0,0,0,1|1,0,0]=3 122 B13R1.158 Cc1ccccc1CCCC(=O)O A2Z00048887 [0,1,0,0,0,1|1,0,0]=3 123 B13R1.158 c1ccc(c(c1)CCCC(=O)N)Cl A2Z00095109 [0,1,0,0,0,1|2,0,0]=4 124 B13R1.158 c1ccc(c(c1)CCCC(=O)O)Cl A2Z00048890 [0,1,0,0,0,1|1,0,0]=3 125 B13R1.158 c1ccc(c(c1)CCCC(=O)O)F A2Z00094521 [0,1,0,0,0,1|1,0,0]=3 126 B13R1.158 c1ccc(c(c1)OCCC(=O)O)Cl A2Z00073842 [0,1,0,0,0,1|0,0,0]=2 127 B13R1.513 Cc1ccc(cc1)CCCC(=O)Cl A2Z00046336 [0,1,0,0,0,1|2,0,0]=4 128 B13R1.513 Cc1ccc(cc1)CCCC(=O)O A2Z00046329 [0,1,0,0,0,1|1,0,0]=3 129 B13R1.513 Cc1ccc(cc1)OCCC(=O)O A2Z00070855 [0,1,0,0,0,1|0,0,0]=2 130 B13R1.513 c1cc(ccc1CCCC(=O)Cl)F A2Z00046338 [0,1,0,0,0,1|2,0,0]=4 131 B13R1.513 c1cc(ccc1CCCC(=O)O)Cl A2Z00094023 [0,1,0,0,0,1|1,0,0]=3 132 B13R1.513 c1cc(ccc1CCCC(=O)O)F A2Z00094022 [0,1,0,0,0,1|1,0,0]=3 133 B13R1.513 c1cc(ccc1OCCC(=O)O)Cl A2Z00098564 [0,1,0,0,0,1|0,0,0]=2 134 B13R1.513 c1cc(ccc1OCCC(=O)O)F A2Z00095257 [0,1,0,0,0,1|0,0,0]=2 135 B13R1.718 COC(=O)CNCc1ccccc1 A2Z00096124 [0,1,0,0,0,1|1,0,0]=3 136 B13R1.3 CC(=O)CSc1ccc(cc1)OC A2Z00096137 [0,2,0,0,0,0|1,1,0]=4 137 B13R1.3 CCc1ccc(cc1)OCC(=O)O A2Z00062497 [0,2,0,0,0,0|0,0,0]=2 138 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O A2Z00033662 [0,2,0,0,0,0|1,0,1]=4 139 B13R1.14 COC(=O)\C=C\c1ccc(cc1)O A2Z00098111 [0,2,0,0,0,0|1,0,1]=4 140 B13R1.14 Cc1ccc(cc1)CCC(=O)OC A2Z00096852 [0,2,0,0,0,0|1,0,0]=3 141 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl A2Z00094726 [0,2,0,0,0,0|2,0,0]=4 142 B13R1.132 CC(CC(=O)O)c1ccc(cc1)Cl A2Z00046281 [0,2,0,0,0,0|1,0,0]=3 143 B13R1.132 CC(CC(=O)O)c1ccc(cc1)F A2Z00046280 [0,2,0,0,0,0|1,0,0]=3 144 B13R1.132 C\C(=C/C(=O)O)\c1ccc(cc1)Br A2Z00094006 [0,2,0,0,0,0|1,0,1]=4 145 B13R1.132 C\C(=C/C(=O)O)\c1ccc(cc1)Cl A2Z00094005 [0,2,0,0,0,0|1,0,1]=4 146 B13R1.132 C\C(=C/C(=O)O)\c1ccc(cc1)F A2Z00094004 [0,2,0,0,0,0|1,0,1]=4 147 B13R1.132 c1cc(ccc1C(CC(=O)O)N)F A2Z00095297 [0,2,0,0,0,0|1,0,0]=3 148 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl A2Z00038324 [0,2,0,0,0,0|0,0,0]=2 149 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)O A2Z00093599 [0,2,0,0,0,0|0,0,0]=2 150 B13R1.133 CC(Cc1ccc(cc1)Cl)C(=O)O A2Z00046444 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)Cl A2Z00046445 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O A2Z00046443 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.133 C\C(=C/c1ccc(cc1)Cl)\C(=O)O A2Z00046437 [0,2,0,0,0,0|1,0,1]=4 154 B13R1.133 C\C(=C/c1ccc(cc1)F)\C(=O)O A2Z00094053 [0,2,0,0,0,0|1,0,1]=4 155 B13R1.133 c1cc(ccc1CC(C(=O)O)O)F A2Z00048099 [0,2,0,0,0,0|1,0,0]=3 156 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)O A2Z00037156 [0,2,0,0,0,0|0,0,0]=2 157 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O A2Z00093943 [0,2,0,0,0,0|0,0,0]=2 158 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O A2Z00038418 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)O A2Z00036595 [0,2,0,0,0,0|0,0,0]=2 160 B13R1.511 Cc1ccc(cc1C)CCC(=O)O A2Z00096813 [0,2,0,0,0,0|1,0,0]=3 161 B13R1.511 Cc1ccc(cc1C)OCC(=O)O A2Z00078440 [0,2,0,0,0,0|0,0,0]=2 162 B13R1.511 c1cc(c(cc1\C=C\C(=O)O)Cl)Cl A2Z00038419 [0,2,0,0,0,0|1,0,1]=4 163 B13R1.11 CC(c1ccccc1)NC(=O)CO A2Z00068366 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.11 COC(=O)CC(=O)c1ccccc1 A2Z00049206 [0,2,0,0,0,0|1,0,0]=3 165 B13R1.11 COC(=O)CC(=O)c1ccncc1 A2Z00096048 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.42 c1ccc(cc1)OCC(CON)O A2Z00048011 [0,2,0,0,0,0|0,0,2]=4 167 B13R1.135 CC(C(=O)NN)Oc1ccccc1 A2Z00077489 [0,2,0,0,0,0|1,0,0]=3 168 B13R1.135 COC(=O)C(Cc1ccccc1)Br A2Z00047235 [0,2,0,0,0,0|1,0,0]=3 169 B13R1.135 COC(=O)C(Cc1ccccc1)Cl A2Z00048897 [0,2,0,0,0,0|1,0,0]=3 170 B13R1.135 COC(=O)C(Cc1ccccc1)N A2Z00069276 [0,2,0,0,0,0|1,0,0]=3 171 B13R1.528 c1ccc(c(c1)N)SCC(=O)NN A2Z00069987 [0,2,0,0,0,0|1,1,0]=4 172 B13R1.528 c1ccc(c(c1)OC\C(=N\O)\N)F A2Z00085576 [0,2,0,0,0,0|1,0,0]=3 173 B13R1.148 C\C(=C/c1cccc(c1)Cl)\C(=O)O A2Z00046436 [0,2,0,0,0,0|1,0,1]=4 174 B13R1.152 c1ccc(cc1)C(C(C(=O)O)N)O A2Z00096319 [0,2,0,0,0,0|1,0,0]=3 175 B13R1.202 CC(Cc1ccccc1F)C(=O)O A2Z00046442 [0,2,0,0,0,0|1,0,0]=3 176 B13R1.202 C\C(=C/c1ccccc1Cl)\C(=O)O A2Z00046435 [0,2,0,0,0,0|1,0,1]=4 177 B13R1.202 C\C(=C/c1ccccc1F)\C(=O)O A2Z00094052 [0,2,0,0,0,0|1,0,1]=4 178 B13R1.202 c1ccc(c(c1)CC(C(=O)O)N)Cl A2Z00094135 [0,2,0,0,0,0|1,0,0]=3 179 B13R1.418 CC\C(=C/c1ccccc1)\C(=O)O A2Z00046440 [0,2,0,0,0,0|1,0,1]=4 180 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O A2Z00034698 [0,2,0,0,0,0|1,0,1]=4 181 B13R1.1073 CC(C)(C(=O)O)Sc1ccccc1 A2Z00038520 [0,2,0,0,0,0|0,1,0]=3 182 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)O A2Z00069866 [0,2,0,0,0,0|1,0,0]=3 183 B13R1.147 CC(CC(=O)O)c1cccc(c1)Cl A2Z00049233 [0,2,0,0,0,0|1,0,0]=3 184 B13R1.147 C\C(=C/C(=O)O)\c1cccc(c1)Cl A2Z00094643 [0,2,0,0,0,0|1,0,1]=4 185 B13R1.347 CC(C)(CC(=O)O)c1ccccc1 A2Z00039153 [0,2,0,0,0,0|1,0,0]=3 186 B13R1.713 CC\C(=C/C(=O)O)\c1ccccc1 A2Z00046263 [0,2,0,0,0,0|1,0,1]=4 187 B13R1.713 c1ccc(cc1)C(CC(=O)O)C#N A2Z00094745 [0,2,0,0,0,0|1,0,0]=3 188 B13R1.713 c1cnccc1C(CC(=O)O)C#N A2Z00094746 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.90 C=Cc1ccccc1OCC(=O)O A2Z00049615 [0,2,0,0,0,0|0,0,0]=2 190 B13R1.90 CCc1ccccc1OCC(=O)O A2Z00093910 [0,2,0,0,0,0|0,0,0]=2 191 B13R1.90 COc1ccccc1C#CC(=O)O A2Z00048087 [0,2,0,0,0,0|1,0,1]=4 192 B13R1.90 COc1ccccc1OCC(=O)O A2Z00035351 [0,2,0,0,0,0|0,0,0]=2 193 B13R1.90 COc1ccccc1\C=C\C(=O)O A2Z00096545 [0,2,0,0,0,0|1,0,1]=4 194 B13R1.150 Cc1cccc(c1C)OCC(=O)O A2Z00066591 [0,2,0,0,0,0|0,0,0]=2 195 B13R1.893 Cc1ccc(c(c1)OCC(=O)O)C A2Z00062566 [0,2,0,0,0,0|0,0,0]=2 196 B13R1.893 c1cc(c(cc1Cl)OCC(=O)O)Cl A2Z00039119 [0,2,0,0,0,0|0,0,0]=2 197 B13R1.3787 Cc1cccc(c1OCC(=O)O)C A2Z00062559 [0,2,0,0,0,0|0,0,0]=2 198 B13R1.3787 c1cc(c(c(c1)Cl)\C=C\C(=O)O)Cl A2Z00080123 [0,2,0,0,0,0|1,0,1]=4 199 B13R1.643 COc1cccc(c1)OCC(=O)O A2Z00066527 [0,2,0,0,0,0|0,0,0]=2 200 B13R1.643 COc1cccc(c1)\C=C\C(=O)O A2Z00067501 [0,2,0,0,0,0|1,0,1]=4 201 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [1,0,0,1,0,0|2,0,0]=4 202 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [1,0,0,1,0,0|2,0,0]=4 203 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [1,0,0,1,0,0|1,0,0]=3 204 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [0,0,0,1,1,0|2,0,0]=4 205 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O A2Z00061877 [0,0,0,1,0,1|1,0,1]=4 206 B13R2.72 c1ccc2c(c1)c(sn2)C(=O)O A2Z00049616 [0,0,0,1,0,1|0,1,1]=4 207 B13R2.163 c1ccc2c(c1)CCCC(=O)O2 A2Z00096661 [0,0,0,1,0,1|1,0,0]=3 208 B13R2.423 c1ccc(cc1)C2CC2C(=O)O A2Z00048075 [0,0,0,1,0,1|1,0,0]=3 209 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 A2Z00069164 [0,1,0,1,0,0|1,0,0]=3 210 B13R2.155 Cc1ccc2ccc(=O)oc2c1 A2Z00096333 [0,1,0,1,0,0|1,0,1]=4 211 B13R2.155 c1cc(nc2c1OCC(=O)N2)N A2Z00069867 [0,1,0,1,0,0|2,0,0]=4 212 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 A2Z00078037 [0,1,0,1,0,0|1,0,0]=3 213 B13R2.155 c1cc2c(cc1N)NC(=O)CO2 A2Z00067813 [0,1,0,1,0,0|1,0,0]=3 214 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 A2Z00069936 [0,1,0,1,0,0|1,0,0]=3 215 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,1,0,1,0,0|2,0,0]=4 216 B13R2.369 CC1C(=O)Nc2ccccc2O1 A2Z00066930 [0,1,0,1,0,0|1,0,0]=3 217 B13R2.369 c1ccc2c(c1)CC(C(=O)N2)N A2Z00094761 [0,1,0,1,0,0|2,0,0]=4 218 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,1,0,1,0,0|1,0,1]=4 219 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A2Z00080071 [0,1,0,1,0,0|1,0,1]=4 220 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N A2Z00050048 [0,1,0,1,0,0|1,0,0]=3 221 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N A2Z00048053 [0,1,0,1,0,0|1,0,0]=3 222 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 A2Z00097940 [0,1,0,1,0,0|2,0,0]=4 223 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 A2Z00068295 [0,1,0,1,0,0|1,0,0]=3 224 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 A2Z00069938 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,0,0,0,2,0|2,0,0]=4 226 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [0,0,0,0,2,0|2,0,0]=4 227 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,0,0,0,2,0|2,0,0]=4 228 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [0,0,0,0,2,0|2,0,0]=4 229 B9R1.13 c1c(ncs1)CC(=O)O A2Z00061633 [0,0,0,0,2,0|2,0,0]=4 230 B9R1.13 c1c[nH]nc1CC(=O)O A2Z00050347 [0,0,0,0,2,0|2,0,0]=4 231 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,0,0,0,2,0|1,0,0]=3 232 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,0,0,0,2,0|2,0,0]=4 233 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,0,0,0,2,0|2,0,0]=4 234 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,0,0,0,2,0|1,0,0]=3 235 B9R1.13 c1cn[nH]c1CC(=O)O A2Z00096237 [0,0,0,0,2,0|2,0,0]=4 236 B13R1.337 c1cc[n+](cc1)CCCCC(=O)O A2Z00069169 [0,0,0,0,0,2|2,0,0]=4 237 B13R1.337 c1ccc(cc1)CCCCC(=O)Cl A2Z00046340 [0,0,0,0,0,2|2,0,0]=4 238 B13R1.337 c1ccc(cc1)OCCCC(=O)O A2Z00034513 [0,0,0,0,0,2|0,0,0]=2