0 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] A2Z00050169 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 Cc1ccc(cc1C#N)C(=O)O A2Z00056969 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl A2Z00094298 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl A2Z00049750 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.21 Cc1cc(ccc1O)C(=O)C A2Z00094595 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.21 Cc1ccc(cc1N)C(=O)C A2Z00048065 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.21 Cc1ccc(cc1N)C(=O)O A2Z00094525 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O A2Z00083657 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl A2Z00094869 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A2Z00093440 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.21 c1cc(c(cc1C(=O)O)N)N A2Z00095962 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.21 c1cc(c(cc1C(=O)O)N)O A2Z00098397 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O A2Z00094098 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Br A2Z00095943 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.266 B(c1cccc(c1)OC)(O)O A2Z00097332 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.266 COc1cccc(c1)C(=O)N A2Z00094313 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.266 COc1cccc(c1)C(=O)O A2Z00078098 [1,0,0,0,0,0|0,0,0]=1 17 B11R1.266 COc1cccc(c1)C(=S)N A2Z00095185 [1,0,0,0,0,0|1,1,0]=3 18 B11R1.266 c1cc(cc(c1)C(=O)O)C#N A2Z00097495 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.266 c1cc(cc(c1)C(=O)O)CBr A2Z00069073 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.266 c1cnc(cc1C(=O)O)CN A2Z00096227 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.280 COc1cc(ccc1O)C=O A2Z00078106 [1,0,0,0,0,0|0,0,0]=1 22 B13R1.13 CC(=O)c1cc(ccc1O)C(=O)O A2Z00073226 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.13 c1cc(c(cc1C(=O)O)[N+](=O)[O-])N A2Z00096029 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.49 CNC(=O)c1ccc(c(c1)OC)N A2Z00069956 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC A2Z00038584 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.3091 CC(c1ccc(c(c1)OC)OC)N A2Z00036488 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.3091 COc1ccc(cc1C#N)C(=O)O A2Z00056970 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.3091 COc1ccc(cc1OC)C(=O)O A2Z00093474 [0,1,0,0,0,0|0,0,0]=1 29 B13R2.430 CC(=O)c1ccc2c(c1)CCN2 A2Z00068664 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O A2Z00050187 [0,0,0,1,0,0|2,0,1]=4 31 B13R2.430 c1cc2c(cc1C(=O)N)OCO2 A2Z00038611 [0,0,0,1,0,0|1,0,0]=2 32 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 A2Z00087559 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.430 c1cc2c(cc1C(=O)O)[nH]nn2 A2Z00096023 [0,0,0,1,0,0|3,0,0]=4 34 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 A2Z00061766 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.430 c1cc2c(cc1C(=O)O)nc[nH]2 A2Z00053850 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.430 c1cc2c(cc1C(=O)O)nco2 A2Z00073876 [0,0,0,1,0,0|1,0,1]=3 37 B13R2.430 c1cc2c(cc1[N+](=O)[O-])OCO2 A2Z00070312 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O A2Z00097338 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.13 c1cc(ccc1C(=N)N)O A2Z00070221 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [2,0,0,0,0,0|1,0,0]=3 63 B10R1.176 Cc1cc(ccc1O)N=O A2Z00061535 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.176 c1cc(c(cc1C=O)Cl)F A2Z00097417 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.176 c1cc(c(cc1C=O)O)O A2Z00036666 [2,0,0,0,0,0|0,0,0]=2 66 B10R1.30 CCc1cc(ccc1O)Br A2Z00038711 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.30 CSc1cc(ccc1N)O A2Z00095086 [2,0,0,0,0,0|1,1,0]=4 68 B10R1.30 Cc1ccc(c(c1)OC)N A2Z00096811 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.30 Cc1ccc(c(c1)OC)O A2Z00096094 [2,0,0,0,0,0|0,0,1]=3 70 B10R1.30 Cc1ccc(cc1OC)F A2Z00070456 [2,0,0,0,0,0|2,0,0]=4 71 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC A2Z00048841 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.48 COc1ccc(cc1Br)C(=O)O A2Z00095298 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.48 COc1ccc(cc1Br)S(=O)O A2Z00049796 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.48 COc1ccc(cc1N)C(=O)O A2Z00048893 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.48 Cc1cc(ccc1OC)C(=O)C A2Z00046352 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C A2Z00071997 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.367 CCC(=O)c1ccc(c(c1)C)C A2Z00068482 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl A2Z00094243 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.367 COC(=O)c1ccc(c(c1)O)N A2Z00069834 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.367 Cc1ccc(cc1C)C(=O)CCl A2Z00094276 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.893 c1cc(c(c(c1C(=O)O)N)Cl)Cl A2Z00062159 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br A2Z00049588 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)N A2Z00038342 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O A2Z00038664 [1,1,0,0,0,0|0,0,0]=2 85 B12R1.258 CC(=O)c1cccc(c1)C(=O)O A2Z00094723 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.258 CC(c1cccc(c1)C(=O)O)O A2Z00062361 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.258 c1cc(cc(c1)[N+](=O)[O-])C(=O)O A2Z00093479 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.435 COc1cccc(c1)C(CN)O A2Z00046546 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.453 CC(=O)c1cc(ccc1Cl)OC A2Z00056965 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.453 CCc1ccc(c(c1)C(=O)C)O A2Z00095971 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.453 CCc1ccc(c(c1)C(=O)O)N A2Z00057964 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.78 CNc1ccc(c(c1)OC)OC A2Z00048083 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.78 COc1ccc(cc1OC)C#N A2Z00093452 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.78 COc1ccc(cc1OC)C=O A2Z00093447 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.78 COc1ccc(cc1OC)CS A2Z00050009 [1,1,0,0,0,0|0,1,1]=4 96 B12R1.300 COc1cc(cc(c1O)Br)C=O A2Z00055339 [1,1,0,0,0,0|0,0,0]=2 97 B14R1.705 CC(=O)c1cc(ccc1O)NC(=O)C A2Z00073970 [0,1,0,0,0,1|2,0,0]=4 98 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC A2Z00068483 [0,2,0,0,0,0|1,0,0]=3 99 B14R1.1864 COc1ccc(cc1OC)C(CN)O A2Z00095911 [0,2,0,0,0,0|1,0,1]=4 100 B14R1.3654 COc1ccc(cc1OC)S(=O)(=O)Cl A2Z00095208 [0,2,0,0,0,0|1,0,1]=4 101 B14R1.1851 COc1cc(c(cc1OC)[N+](=O)[O-])N A2Z00061406 [0,2,0,0,0,0|1,0,1]=4 102 B14R1.2288 CC(=O)c1cc(c(cc1OC)O)OC A2Z00049755 [0,2,0,0,0,0|1,0,0]=3 103 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)O A2Z00097971 [0,2,0,0,0,0|0,0,1]=3 104 B12R2.44 c1cc2c(cc1C=O)CCC2 A2Z00094822 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.44 c1cc2c(cc1CN)OCO2 A2Z00093436 [1,0,0,1,0,0|1,0,1]=4 106 B12R2.44 c1cc2c(cc1CS)OCO2 A2Z00050008 [1,0,0,1,0,0|0,1,1]=4 107 B14R2.1008 c1cc2c(cc1NC(=S)N)OCO2 A2Z00097923 [0,0,0,1,0,1|1,1,0]=4 108 B14R2.24358 Cn1ccc2c1cc(cc2)C(=O)O A2Z00087261 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.966 c1cc2c(cc1\C(=N\O)\N)CCO2 A2Z00085513 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.3125 c1cc2c(cc1S(=O)(=O)Cl)OCO2 A2Z00040016 [0,1,0,1,0,0|1,0,1]=4 111 B14R2.601 c1cc2c(cc1C(=O)O)[nH]c(=O)o2 A2Z00048901 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 A2Z00057454 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.781 c1cc2c(cc1C(=O)O)CCCC2 A2Z00094267 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.624 c1c(c(cc2c1OCO2)[N+](=O)[O-])N A2Z00057228 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.5998 c1cc2c(c(c1C(=O)O)O)OCO2 A2Z00050292 [0,1,0,1,0,0|0,0,0]=2 116 B14R1.42 COc1cc(ccc1O)\C=C\C(=O)O A2Z00037790 [0,0,0,0,0,2|0,0,0]=2