0 B12R1.27 COC(=O)CCc1cncnc1 A2Z00096619 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.27 COC(=O)\C=C\c1cncnc1 A2Z00096618 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 c1ccc(cc1)CCC(=O)CBr A2Z00094984 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.27 c1ccc(cc1)CNC(=O)CCl A2Z00097817 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.27 c1ccc(cc1)CNC(=O)CO A2Z00068365 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.28 CCNCCc1ccncc1 A2Z00061329 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 c1c(cncn1)CCC(=O)O A2Z00050326 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 c1ccc(cc1)NCC(=O)O A2Z00087068 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 c1ccc(cc1)OCC(=S)N A2Z00038412 [1,0,0,0,0,0|2,1,0]=4 14 B11R1.91 c1ccnc(c1)CCC(=O)O A2Z00094491 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [1,0,0,0,0,0|1,0,2]=4 16 B13R1.11 CC(c1ccccc1)NC(=O)CO A2Z00068366 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.11 COC(=O)CC(=O)c1ccccc1 A2Z00049206 [0,1,0,0,0,0|0,0,1]=2 18 B13R1.11 COC(=O)CC(=O)c1ccncc1 A2Z00096048 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.14 COC(=O)\C=C\c1ccc(cc1)O A2Z00098111 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.14 Cc1ccc(cc1)CCC(=O)OC A2Z00096852 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.14 c1cc(ccc1CNC(=O)CN)Cl A2Z00044973 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.42 CCOC(=O)\C=C\c1ccncc1 A2Z00095018 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.135 CC(C(=O)NN)Oc1ccccc1 A2Z00077489 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.135 COC(=O)C(Cc1ccccc1)Br A2Z00047235 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.135 COC(=O)C(Cc1ccccc1)Cl A2Z00048897 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.135 COC(=O)C(Cc1ccccc1)N A2Z00069276 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.528 c1ccc(c(c1)N)SCC(=O)NN A2Z00069987 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.10 c1ccc(cc1)C2=NNC(=O)C2 A2Z00096113 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,0,0,1,0,0|1,0,0]=2 30 B11R1.25 COC(=O)CCc1cnn[nH]1 A2Z00096575 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.25 COC(=O)\C=C\c1cccs1 A2Z00096369 [0,0,0,0,1,0|1,0,2]=4 32 B11R1.25 COC(=O)\C=C\c1ccsc1 A2Z00050484 [0,0,0,0,1,0|1,0,2]=4 33 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,0,0,0,1,0|3,0,0]=4 35 B13R1.718 COC(=O)CNCc1ccccc1 A2Z00096124 [0,0,0,0,0,1|0,0,0]=1 36 B10R1.17 CCNCc1ccccc1 A2Z00093459 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 CNCCc1ccncc1 A2Z00061328 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [2,0,0,0,0,0|0,0,2]=4 43 B12R1.8 CCCCCCc1ccccc1 A2Z00093559 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.28 COCCOc1cccc(c1)O A2Z00048084 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.21 CC(=O)CCc1ccc(cc1)Br A2Z00049942 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.21 CC(CCc1ccc(cc1)Br)N A2Z00049943 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.21 Cc1cc[n+](cc1)CCC(=O)O A2Z00069168 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.21 Cc1ccc(cc1)CCC(=O)O A2Z00082764 [1,1,0,0,0,0|0,0,0]=2 49 B12R1.21 Cc1ccc(cc1)OCC(=O)Cl A2Z00038613 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.21 Cc1ccc(cc1)OCC(=O)O A2Z00097825 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.21 c1cc(ccc1CCC(=O)O)Cl A2Z00038303 [1,1,0,0,0,0|0,0,0]=2 53 B12R1.21 c1cc(ccc1CCC(=O)O)F A2Z00039157 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.21 c1cc(ccc1CCC(=O)O)O A2Z00096742 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.21 c1cc(ccc1NCC(=O)O)Cl A2Z00056215 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.21 c1cc(ccc1SCC(=O)O)Br A2Z00096549 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A2Z00094527 [1,1,0,0,0,0|0,0,2]=4 58 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A2Z00034000 [1,1,0,0,0,0|0,0,2]=4 59 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A2Z00093401 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.21 c1cc(ncc1CCC(=O)O)N A2Z00097668 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.43 CC(C)C(Cc1ccccc1)O A2Z00048082 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [1,1,0,0,0,0|0,0,2]=4 64 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.107 CC(C)CC(c1ccccc1)O A2Z00048081 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.107 CC(CC(=O)O)c1ccccc1 A2Z00094013 [1,1,0,0,0,0|0,0,0]=2 68 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.125 CC(=O)COc1ccccc1Br A2Z00094587 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.125 c1ccc(c(c1)OCC(=O)Cl)Cl A2Z00069792 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl A2Z00062552 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [1,1,0,0,0,0|0,0,2]=4 76 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.226 CC(=O)CCc1cccc(c1)Cl A2Z00094749 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.226 CC(=O)COc1cccc(c1)Br A2Z00094586 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.226 c1cc(cc(c1)Br)OCC(=O)O A2Z00078437 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O A2Z00095187 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [1,1,0,0,0,0|0,0,2]=4 82 B12R1.226 c1cc(cc(c1)F)CCC(=O)O A2Z00094264 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [1,1,0,0,0,0|0,0,2]=4 84 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl A2Z00041387 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.891 c1ccc(cc1)CCS(=O)(=O)O A2Z00009461 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.34 CCC(=O)N(C)c1ccccc1 A2Z00095184 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.34 COC(=O)C(c1ccccc1)N A2Z00096034 [0,1,0,0,1,0|0,0,0]=2 88 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [0,1,0,0,1,0|0,0,0]=2 89 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,1,0,0,1,0|0,0,0]=2 90 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,1,0,0,1,0|0,0,0]=2 91 B14R1.756 CC(C(=O)OC)NCc1ccccc1 A2Z00096573 [0,1,0,0,0,1|0,0,0]=2 92 B14R1.833 Cc1ccc(cc1C)CCC(=O)OC A2Z00096913 [0,2,0,0,0,0|0,0,0]=2 93 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 A2Z00096134 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.1007 COC(=O)C(Cc1ccccc1F)Br A2Z00070052 [0,2,0,0,0,0|0,0,0]=2 95 B14R1.161 CN(C)C(=O)CCc1ccccc1N A2Z00096760 [0,2,0,0,0,0|1,0,0]=3 96 B14R1.161 CN(C)C(=O)COc1ccccc1N A2Z00049229 [0,2,0,0,0,0|2,0,0]=4 97 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [1,0,0,1,0,0|1,0,0]=3 98 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [1,0,0,1,0,0|2,0,0]=4 99 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [1,0,0,1,0,0|2,0,0]=4 100 B12R2.18 CC1c2ccccc2NC1=O A2Z00049804 [0,0,0,1,1,0|2,0,0]=4 101 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,0,0,1,1,0|2,0,0]=4 102 B14R2.19 c1ccc(cc1)CC2COC(=O)N2 A2Z00094895 [0,0,0,1,0,1|0,0,0]=2 103 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 A2Z00096123 [0,0,0,1,0,1|1,0,0]=3 104 B14R2.95 c1ccc2c(c1)CCN2C(=O)CN A2Z00095268 [0,0,0,1,0,1|2,0,0]=4 105 B14R2.20 c1cc(ccc1C2CNC(=O)O2)Br A2Z00049290 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.20 c1cc(ccc1C2CNC(=O)O2)Cl A2Z00049232 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.4513 CN1c2cc(ccc2OCC1=O)N A2Z00067503 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.4513 CN1c2cc(ccc2OCC1=O)N A2Z00068297 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.22 c1cc(cc(c1)Cl)C2CNC(=O)O2 A2Z00049231 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.29369 CN1c2ccc(cc2CCC1=O)Br A2Z00070051 [0,1,0,1,0,0|1,0,0]=3 111 B14R2.29369 CN1c2ccc(cc2CCC1=O)N A2Z00094530 [0,1,0,1,0,0|1,0,0]=3 112 B14R2.29369 CN1c2ccc(cc2OCC1=O)N A2Z00068296 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.8038 CN1c2cccc(c2OCC1=O)N A2Z00050049 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,0,0,0,1,0|1,0,0]=3 115 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,0,0,0,1,0|1,1,0]=4 116 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [1,0,0,0,1,0|1,0,0]=3 117 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [1,0,0,0,1,0|1,0,0]=3 118 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [1,0,0,0,1,0|1,0,0]=3 119 B10R1.27 COC(=O)Cc1cc[nH]n1 A2Z00050448 [0,0,0,0,2,0|2,0,0]=4 120 B10R1.27 COC(=O)Cc1cccs1 A2Z00095990 [0,0,0,0,2,0|1,0,0]=3 121 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,0,0,0,2,0|2,0,0]=4