0 B12R2.44 C#Cc1ccc2c(c1)OCO2 AB42394 [0,0,0,0,0,0|1,0,1]=2 1 B12R2.44 C1C=C(C=C2C1=NC=C2)C=O AB10798 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.44 C1C=C(C=C2C1=NC=N2)C=O AB48780 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.44 C1C=C(C=C2C1=NN=C2)C=O PB12392 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.44 C1C=C(C=C2C1=NN=N2)C=O AB48534 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.44 C1C=C2C=CN=C2C=C1C=O AB11369 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.44 c1c(cnc2=NCC=c21)C=O PB31050 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.44 c1c(cnc2c1CCN2)C=O AB26247 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.44 c1c(cnc2c1OCO2)C=O AB66663 [0,0,0,0,0,0|1,0,0]=1 10 B12R2.44 c1c(cnc2c1OCO2)CCl AB73668 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.44 c1c(cnc2c1OCO2)CN AB73667 [0,0,0,0,0,0|2,0,1]=3 12 B12R2.44 c1c2=CCN=c2cnc1C=O AB59848 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.44 c1c2c(cnc1C=O)N=NC2 AB66621 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [0,0,0,0,0,0|2,0,2]=4 15 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,0,0,0,0,0|1,0,1]=2 16 B12R2.44 c1cc2c(cc1C#N)CCN2 MB04564 [0,0,0,0,0,0|3,0,1]=4 17 B12R2.44 c1cc2c(cc1C#N)cno2 AB26016 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,0,0,0,0,0|1,0,0]=1 19 B12R2.44 c1cc2c(cc1C=O)cno2 AB70274 [0,0,0,0,0,0|2,0,0]=2 20 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,0,0,0,0,0|2,0,1]=3 21 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,0,0,0,0,0|2,0,2]=4 22 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,0,0,0,0,0|1,0,1]=2 23 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,0,0,0,0,0|1,0,3]=4 24 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,0,0,0,0,0|1,1,1]=3 25 B12R2.44 c1cc2cnoc2cc1C#N AB26004 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.44 c1cc2nccn2cc1C=O PB22050 [0,0,0,0,0,0|3,0,1]=4 27 B12R2.44 c1cc2ncnn2cc1C=O AB63689 [0,0,0,0,0,0|3,0,1]=4 28 B12R2.44 c1cn2ccnc2cc1C=O PB17705 [0,0,0,0,0,0|3,0,1]=4 29 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,0,0,0,0,0|2,0,1]=4 30 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,0,0,0,0,0|1,0,2]=4 31 B11R2.36 c1c(cnc2c1OCO2)Br AB66660 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.36 c1c(cnc2c1OCO2)F AB73689 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,0,0,0,0,0|2,0,1]=4 35 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,0,0|1,0,2]=4 37 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,0,0,0|2,0,0]=3 40 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,0,0,0|2,0,0]=3 45 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [1,0,0,0,0,0|3,0,0]=4 46 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [1,0,0,0,0,0|2,0,1]=4 47 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,0,0,0|2,0,1]=4 53 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,0,0,0,0,0|2,0,1]=4 54 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,0,0,0|1,0,2]=4 58 B11R2.36 c1cc2cnoc2cc1Br AB25994 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 c1cc2cnoc2cc1N AB26008 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.84 c1c(c(c2=CCN=c2n1)Cl)C=O PB10730 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.430 B(c1cc2c(nc1)OCO2)(O)O AB73662 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O AB12166 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O AB07960 [0,1,0,0,0,0|1,0,1]=3 65 B13R2.430 CC(=O)c1cc2c(nc1)OCO2 AB73670 [0,1,0,0,0,0|1,0,0]=2 66 B13R2.430 CC(=O)c1ccc2c(c1)N=NC2 PB25444 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.430 c1c(cnc2=CCN=c21)C(=O)O PB16180 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.430 c1c(cnc2=NCC=c21)C(=O)O PB20248 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.430 c1c(cnc2c1CCN2)C(=O)O AB26245 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,0,0,0|1,0,0]=2 71 B13R2.430 c1c2=CCN=c2cnc1C(=O)O AB60343 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.430 c1c2=NCC=c2cnc1C(=O)O PB23904 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,1,0,0,0,0|1,0,1]=3 74 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,0,0,0|1,0,0]=2 75 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 PB28170 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.430 c1cc2c(cc1C(=O)O)cno2 AB70277 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 AB29416 [0,1,0,0,0,0|1,1,1]=4 78 B13R2.430 c1cc2c(cc1C(=O)O)scn2 AB03450 [0,1,0,0,0,0|1,1,1]=4 79 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,0,0,0|0,1,0]=2 80 B13R2.430 c1cc2c(cc1[N+](=O)[O-])cno2 AB26014 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.430 c1cc2c(cc1[N+](=O)[O-])nco2 AB09091 [0,1,0,0,0,0|2,0,1]=4 82 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,1,0,0,0,0|1,0,1]=3 83 B13R2.430 c1cc2c(cco2)cc1[N+](=O)[O-] AB06048 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,1,0,0,0,0|1,1,1]=4 85 B13R2.430 c1cc2cnoc2cc1[N+](=O)[O-] AB25997 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.449 CNCc1cc2c(nc1)OCO2 AB73675 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.449 c1c(cnc2c1OCO2)CCN AB73681 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.449 c1cc2c(cc1\C=C\Br)OCO2 AB49370 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.599 c1c(c(cc2c1OCO2)Br)C#N MB02421 [0,1,0,0,0,0|1,0,1]=3 90 B13R2.599 c1c(c(cc2c1OCO2)N)C=O AB06502 [0,1,0,0,0,0|0,0,0]=1 91 B13R2.599 c1c(c(cc2c1OCO2)N)CO AB52835 [0,1,0,0,0,0|0,0,2]=3 92 B13R2.654 c1c(cc2c(c1O)OCO2)C=O AB31261 [0,1,0,0,0,0|0,0,0]=1 93 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.669 COc1ccc2c(c1)C(CO2)N AB49134 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.669 Cn1c2cc(ccc2cn1)C=O PB34574 [0,1,0,0,0,0|3,0,0]=4 96 B13R2.669 c1cc2c(cc1C=O)C(=O)NC2 AB74383 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.2121 Cn1cc2cc(ccc2n1)C=O PB25792 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.2121 Cn1cc2ccc(cc2n1)C=O PB11539 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.2130 COc1ccc2c(c1)OCC2N AB45857 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.2130 Cn1c2ccc(cc2cn1)C=O PB13357 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.2130 c1cc2c(cc1C=O)CNC2=O AB66631 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [0,0,1,0,0,0|2,0,1]=4 104 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [0,0,1,0,0,0|2,0,0]=3 105 B11R1.83 COc1ccc(cc1)CCO AB00284 [0,0,1,0,0,0|3,0,0]=4 106 B11R1.83 c1cc(ccc1C=O)N=C=O AB74254 [0,0,1,0,0,0|1,0,2]=4 107 B11R1.83 c1cc(ccc1CCO)C#N CB10174 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.189 C#CCc1cccc(c1)C=O AB61402 [0,0,1,0,0,0|2,0,1]=4 109 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [0,0,1,0,0,0|2,0,1]=4 110 B11R1.189 c1cc(cc(c1)N=C=O)C=O AB74255 [0,0,1,0,0,0|1,0,2]=4 111 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,0,1,0,0,0|2,0,1]=4 112 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,0,1,0,0,0|2,0,1]=4 113 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,0,1,0,0,0|1,0,1]=3 114 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,0,1,0,0,0|1,1,1]=4 115 B11R1.279 CCc1ccc(cc1O)C#N MB23779 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [0,0,1,0,0,0|1,0,0]=2 117 B11R1.279 CCc1ccc(cc1O)CN MB23838 [0,0,1,0,0,0|2,0,1]=4 118 B11R1.279 CCc1ccc(cc1O)NC MB23855 [0,0,1,0,0,0|3,0,0]=4 119 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.279 CCc1ccc(cc1O)SC MB23989 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [0,0,1,0,0,0|3,0,0]=4 122 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [0,0,1,0,0,0|2,1,0]=4 123 B11R1.279 CNc1ccc(cc1O)C#N MB32288 [0,0,1,0,0,0|2,0,1]=4 124 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [0,0,1,0,0,0|1,0,0]=2 125 B11R1.279 CNc1ccc(cc1O)CN MB30036 [0,0,1,0,0,0|2,0,1]=4 126 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,0,1,0,0,0|3,0,0]=4 127 B11R1.279 COc1c(cc(cn1)C=O)Br AB70947 [0,0,1,0,0,0|2,0,0]=3 128 B11R1.279 COc1c(cc(cn1)C=O)Cl AB20954 [0,0,1,0,0,0|2,0,0]=3 129 B11R1.279 COc1c(cc(cn1)C=O)F AB17649 [0,0,1,0,0,0|2,0,0]=3 130 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,0,1,0,0,0|2,0,0]=3 131 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,0,1,0,0,0|2,1,0]=4 132 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [0,0,1,0,0,0|2,0,1]=4 133 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [0,0,1,0,0,0|2,0,1]=4 134 B11R1.279 COc1ccc(cc1F)C#N AB04880 [0,0,1,0,0,0|2,0,1]=4 135 B11R1.279 COc1ccc(cc1O)C#N MB02393 [0,0,1,0,0,0|1,0,1]=3 136 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,0,1,0,0,0|2,0,0]=3 137 B11R1.279 COc1cnc(cc1Cl)C=O AB67540 [0,0,1,0,0,0|2,0,0]=3 138 B11R1.279 CSc1ccc(cc1O)C#N MB28697 [0,0,1,0,0,0|1,1,1]=4 139 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [0,0,1,0,0,0|0,1,0]=2 140 B11R1.279 CSc1ccc(cc1O)CN MB29248 [0,0,1,0,0,0|1,1,1]=4 141 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [0,0,1,0,0,0|2,0,0]=3 142 B11R1.279 c1c(cnc(c1O)C=O)C=O AB84585 [0,0,1,0,0,0|3,0,0]=4 143 B11R1.279 c1c(ncc(c1O)C=O)C=O AB84440 [0,0,1,0,0,0|3,0,0]=4 144 B11R1.279 c1cc(c(cc1C=O)F)C#N AB28328 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [0,0,1,0,0,0|2,0,0]=3 146 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,0,1,0,0,0|2,0,0]=3 147 B11R1.279 c1cc(nc(c1C=O)O)C=O AB84543 [0,0,1,0,0,0|3,0,0]=4 148 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [0,0,1,0,0,0|2,0,1]=4 149 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [0,0,1,0,0,0|1,0,0]=2 150 B11R1.280 CCc1cc(ccc1O)CN MB23654 [0,0,1,0,0,0|2,0,1]=4 151 B11R1.280 CCc1cc(ccc1O)NC MB23664 [0,0,1,0,0,0|3,0,0]=4 152 B11R1.280 CCc1cc(ccc1O)OC MB23776 [0,0,1,0,0,0|3,0,0]=4 153 B11R1.280 CCc1cc(ccc1O)SC MB23777 [0,0,1,0,0,0|3,0,0]=4 154 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [0,0,1,0,0,0|2,0,1]=4 155 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [0,0,1,0,0,0|2,0,1]=4 156 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [0,0,1,0,0,0|1,1,1]=4 157 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [0,0,1,0,0,0|2,0,1]=4 158 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [0,0,1,0,0,0|1,0,0]=2 159 B11R1.280 CNc1cc(ccc1O)CN MB28730 [0,0,1,0,0,0|2,0,1]=4 160 B11R1.280 CNc1cc(ccc1O)OC MB34517 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.280 CNc1cc(ccc1O)SC MB35888 [0,0,1,0,0,0|3,0,0]=4 162 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [0,0,1,0,0,0|3,0,0]=4 163 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [0,0,1,0,0,0|2,0,0]=3 164 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [0,0,1,0,0,0|2,1,0]=4 165 B11R1.280 COc1c(ccc(n1)C=O)F AB70966 [0,0,1,0,0,0|2,0,0]=3 166 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [0,0,1,0,0,0|1,0,0]=2 167 B11R1.280 COc1cc(ccc1N)C=O AB54813 [0,0,1,0,0,0|1,0,0]=2 168 B11R1.280 COc1cc(ccc1N)CO AB44207 [0,0,1,0,0,0|1,0,2]=4 169 B11R1.280 COc1cc(ccc1O)SC MB01847 [0,0,1,0,0,0|2,0,0]=3 170 B11R1.280 COc1cc(cnc1Cl)C=O AB67544 [0,0,1,0,0,0|2,0,0]=3 171 B11R1.280 COc1cc(cnc1F)C=O AB73653 [0,0,1,0,0,0|2,0,0]=3 172 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [0,0,1,0,0,0|2,0,0]=3 173 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [0,0,1,0,0,0|2,1,0]=4 174 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [0,0,1,0,0,0|1,1,1]=4 175 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [0,0,1,0,0,0|0,1,0]=2 176 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [0,0,1,0,0,0|2,1,0]=4 177 B11R1.280 c1c(c(cnc1C=O)O)C=O AB84406 [0,0,1,0,0,0|3,0,0]=4 178 B11R1.280 c1c(cnc(c1C=O)O)C=O AB84515 [0,0,1,0,0,0|3,0,0]=4 179 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [0,0,1,0,0,0|3,0,0]=4 180 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [0,0,1,0,0,0|2,0,0]=3 181 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [0,0,1,0,0,0|2,0,0]=3 182 B11R1.280 c1cc(c(nc1C=O)C=O)O AB76119 [0,0,1,0,0,0|3,0,0]=4 183 B13R2.57 COc1ccc2c(c1)NCCO2 AB43971 [0,0,0,0,0,1|3,0,0]=4 184 B13R2.57 COc1ccc2c(c1)OCCN2 MB09263 [0,0,0,0,0,1|3,0,0]=4 185 B13R2.57 COc1ccc2c(c1)OCCN2 MB11317 [0,0,0,0,0,1|3,0,0]=4 186 B13R2.57 c1c(cnc2c1CCCO2)C=O AB71418 [0,0,0,0,0,1|2,0,0]=3 187 B13R2.57 c1c(cnc2c1COCC2)C=O AB68710 [0,0,0,0,0,1|2,0,0]=3 188 B13R2.57 c1c(cnc2c1OCCO2)C=O AB65653 [0,0,0,0,0,1|1,0,0]=2 189 B13R2.57 c1c(ncc2c1OCCO2)C=O MB08156 [0,0,0,0,0,1|1,0,0]=2 190 B13R2.57 c1c2c(nc(n1)C=O)CCOC2 AB59054 [0,0,0,0,0,1|3,0,0]=4 191 B13R2.57 c1c2c(nc(n1)C=O)OCCC2 AB74051 [0,0,0,0,0,1|3,0,0]=4 192 B13R2.57 c1cc(cc2c1ccnc2)C=O MB03744 [0,0,0,0,0,1|2,0,1]=4 193 B13R2.57 c1cc(nc2c1CCCN2)C=O AB66650 [0,0,0,0,0,1|3,0,0]=4 194 B13R2.57 c1cc2c(cc1C#N)COCC2 MB09759 [0,0,0,0,0,1|2,0,1]=4 195 B13R2.57 c1cc2c(cc1C#N)NCCO2 AB45779 [0,0,0,0,0,1|2,0,1]=4 196 B13R2.57 c1cc2c(cc1C#N)OCCN2 AB64783 [0,0,0,0,0,1|2,0,1]=4 197 B13R2.57 c1cc2c(cc1C=O)nccn2 AB07316 [0,0,0,0,0,1|2,0,1]=4 198 B13R2.57 c1cc2c(cc1NN)OCCO2 AB12012 [0,0,0,0,0,1|2,0,0]=3 199 B13R2.57 c1cc2cc(ccc2nc1)C=O MB01484 [0,0,0,0,0,1|2,0,1]=4 200 B13R2.57 c1cc2ccc(cc2nc1)C=O AB09099 [0,0,0,0,0,1|2,0,1]=4 201 B13R2.57 c1cc2cnccc2cc1C=O MB03742 [0,0,0,0,0,1|2,0,1]=4 202 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,0,1,0,0,0|2,0,0]=4 203 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [1,0,1,0,0,0|1,0,1]=4 204 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,0,1,0,0,0|1,0,1]=4 205 B10R1.3 COc1ccc(cc1)NN AB11940 [1,0,1,0,0,0|2,0,0]=4 206 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,0,1,0,0,0|1,0,0]=3 207 B10R1.3 COc1ccc(nn1)C=O AB61123 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.3 COc1cnc(cn1)C=O AB60467 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.3 COc1cnc(nc1)C=O AB59742 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.3 COc1ncc(cn1)C=O AB15446 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,0,1,0,0,0|2,0,0]=4 212 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,0,1,0,0,0|1,0,1]=4 213 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [1,0,1,0,0,0|2,0,0]=4 214 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [1,0,1,0,0,0|2,0,0]=4 215 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [1,0,1,0,0,0|1,0,1]=4 216 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,0,1,0,0,0|1,0,0]=3 217 B10R1.172 COc1cc(cnc1)C=O PB23495 [1,0,1,0,0,0|1,0,0]=3 218 B10R1.172 COc1cccc(c1)C#C AB04227 [1,0,1,0,0,0|1,0,1]=4 219 B10R1.172 COc1cccc(c1)C#N AB00159 [1,0,1,0,0,0|1,0,1]=4 220 B10R1.172 COc1cccc(c1)C=O AB00318 [1,0,1,0,0,0|0,0,0]=2 221 B10R1.172 COc1cccc(n1)C=O AB22243 [1,0,1,0,0,0|1,0,0]=3 222 B10R1.172 COc1ccnc(c1)C=O AB43663 [1,0,1,0,0,0|1,0,0]=3 223 B10R1.172 COc1cncc(n1)C=O AB73162 [1,0,1,0,0,0|2,0,0]=4 224 B10R1.172 COc1nccc(n1)C=O AB44816 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.172 c1c(cncc1C=O)CCl AB69676 [1,0,1,0,0,0|2,0,0]=4 226 B10R1.172 c1c(cncc1C=O)CN AB31382 [1,0,1,0,0,0|2,0,0]=4 227 B10R1.172 c1cc(cc(c1)C#N)CO CB10501 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.172 c1cc(nc(c1)C=O)CCl AB54693 [1,0,1,0,0,0|2,0,0]=4 229 B10R1.172 c1cnc(cc1C=O)CN AB31349 [1,0,1,0,0,0|2,0,0]=4 230 B10R1.172 c1cnc(nc1C=O)CO AB58724 [1,0,1,0,0,0|2,0,0]=4 231 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,0,1,0,0,0|2,0,0]=4 232 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,0,1,0,0,0|2,0,0]=4 233 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,0,1,0,0,0|2,0,0]=4 235 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,0,1,0,0,0|2,0,0]=4 236 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,0,1,0,0,0|2,0,0]=4 237 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,0,1,0,0,0|2,0,0]=4 238 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,0,1,0,0,0|2,0,0]=4 239 B10R1.25 COc1ccc(cc1Cl)Br AB03565 [1,0,1,0,0,0|2,0,0]=4 240 B10R1.25 COc1ccc(cc1Cl)O MB13556 [1,0,1,0,0,0|1,0,1]=4 241 B10R1.25 COc1ccc(cc1F)Br AB01075 [1,0,1,0,0,0|2,0,0]=4 242 B10R1.25 COc1ccc(cc1I)O MB26647 [1,0,1,0,0,0|1,0,1]=4 243 B10R1.25 COc1ccc(cc1N)O MB34521 [1,0,1,0,0,0|1,0,1]=4 244 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,0,1,0,0,0|1,0,0]=3 245 B10R1.25 COc1ccc(cc1O)I MB38179 [1,0,1,0,0,0|1,0,0]=3 246 B10R1.25 COc1cnc(cc1O)Cl AB69306 [1,0,1,0,0,0|2,0,0]=4 247 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,0,1,0,0,0|1,1,0]=4 248 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,0,1,0,0,0|1,1,0]=4 249 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,0,1,0,0,0|1,1,0]=4 250 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,0,1,0,0,0|1,1,0]=4 251 B10R1.25 Cc1cc(ccc1OC)O MB07842 [1,0,1,0,0,0|1,0,1]=4 252 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,0,1,0,0,0|1,0,1]=4 253 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,0,1,0,0,0|0,1,1]=4 254 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,0,1,0,0,0|1,0,1]=4 255 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [1,0,1,0,0,0|2,0,0]=4 258 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [1,0,1,0,0,0|2,0,0]=4 259 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,0,1,0,0,0|1,0,0]=3 261 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,0,1,0,0,0|1,0,0]=3 262 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,0,1,0,0,0|1,0,1]=4 263 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,0,1,0,0,0|1,0,1]=4 264 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,0,1,0,0,0|2,0,0]=4 265 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [1,0,1,0,0,0|2,0,0]=4 266 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [1,0,1,0,0,0|2,0,0]=4 267 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [1,0,1,0,0,0|2,0,0]=4 268 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [1,0,1,0,0,0|2,0,0]=4 269 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [1,0,1,0,0,0|2,0,0]=4 271 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [1,0,1,0,0,0|2,0,0]=4 272 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [1,0,1,0,0,0|2,0,0]=4 273 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,0,1,0,0,0|1,0,1]=4 274 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,0,1,0,0,0|0,0,0]=2 275 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,0,1,0,0,0|2,0,0]=4 276 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,0,1,0,0,0|2,0,0]=4 277 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,0,1,0,0,0|2,0,0]=4 278 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [1,0,1,0,0,0|2,0,0]=4 279 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [1,0,1,0,0,0|2,0,0]=4 280 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [1,0,1,0,0,0|2,0,0]=4 281 B10R1.176 Cc1cnc(cc1Br)C=O AB70162 [1,0,1,0,0,0|2,0,0]=4 282 B10R1.176 Cc1cnc(cc1Cl)C=O AB67497 [1,0,1,0,0,0|2,0,0]=4 283 B10R1.176 Cc1cnc(cc1F)C=O AB82952 [1,0,1,0,0,0|2,0,0]=4 284 B10R1.176 Cn1ccc(cc1=O)C=O PB35148 [1,0,1,0,0,0|1,0,1]=4 285 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [1,0,1,0,0,0|2,0,0]=4 286 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [1,0,1,0,0,0|2,0,0]=4 287 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,0,1,0,0,0|2,0,0]=4 290 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [1,0,1,0,0,0|2,0,0]=4 291 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,0,1,0,0,0|1,0,0]=3 292 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,0,1,0,0,0|1,0,0]=3 293 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,0,1,0,0,0|1,0,0]=3 294 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,0,1,0,0,0|1,0,0]=3 295 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,0,1,0,0,0|1,0,0]=3 296 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,0,1,0,0,0|1,0,0]=3 297 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [1,0,1,0,0,0|2,0,0]=4 298 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [1,0,1,0,0,0|2,0,0]=4 299 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,0,1,0,0,0|2,0,0]=4 300 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,0,1,0,0,0|1,0,1]=4 301 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,0,1,0,0,0|2,0,0]=4 302 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,0,1,0,0,0|2,0,0]=4 303 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,0,1,0,0,0|2,0,0]=4 304 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,0,1,0,0,0|2,0,0]=4 305 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,0,1,0,0,0|2,0,0]=4 306 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,0,1,0,0,0|2,0,0]=4 307 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,0,1,0,0,0|2,0,0]=4 308 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,0,1,0,0,0|2,0,0]=4 309 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,0,1,0,0,0|1,0,1]=4 310 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,0,1,0,0,0|1,0,1]=4 311 B10R1.30 COc1cc(ccc1F)O MB08744 [1,0,1,0,0,0|1,0,1]=4 312 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,0,1,0,0,0|2,0,0]=4 313 B10R1.30 COc1cc(ccc1I)O MB29625 [1,0,1,0,0,0|1,0,1]=4 314 B10R1.30 COc1cc(ccc1N)F MB00562 [1,0,1,0,0,0|2,0,0]=4 315 B10R1.30 COc1cc(ccc1N)O MB01122 [1,0,1,0,0,0|1,0,1]=4 316 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,0,1,0,0,0|1,0,0]=3 317 B10R1.30 COc1cc(ccc1O)I MB05217 [1,0,1,0,0,0|1,0,0]=3 318 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,0,1,0,0,0|1,1,0]=4 319 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,0,1,0,0,0|1,1,0]=4 320 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,0,1,0,0,0|1,1,0]=4 321 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,0,1,0,0,0|1,1,0]=4 322 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,0,1,0,0,0|0,1,1]=4 323 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,0,1,0,0,0|2,0,0]=4 324 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,0,1,0,0,0|1,0,1]=4 325 B12R1.71 c1cc(ccc1C=O)OCCCl AB01954 [0,1,1,0,0,0|1,0,0]=3 326 B12R1.114 CCOc1c(cc(cn1)C=O)F AB40831 [0,1,1,0,0,0|2,0,0]=4 327 B12R1.279 CCOc1cc(ccn1)C(=O)O AB20466 [0,1,1,0,0,0|2,0,0]=4 328 B12R1.279 CCOc1cc(cnc1)C(=O)C AB41131 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.279 CCOc1ccnc(c1)C(=O)O AB20462 [0,1,1,0,0,0|2,0,0]=4 330 B12R1.279 c1cc(cc(c1)C(=O)O)CCN MB05049 [0,1,1,0,0,0|2,0,0]=4 331 B12R1.280 CCOc1ccnc(c1C)C=O AB40748 [0,1,1,0,0,0|2,0,0]=4 332 B12R1.48 CC(=O)c1cc(c(nc1)OC)Cl AB70286 [0,1,1,0,0,0|2,0,0]=4 333 B12R1.48 CC(=O)c1cc(c(nc1)OC)F AB74578 [0,1,1,0,0,0|2,0,0]=4 334 B12R1.48 CC(C)c1ccc(c(c1)O)OC MB13567 [0,1,1,0,0,0|1,0,1]=4 335 B12R1.48 CCc1ccc(cc1O)C(=O)N MB23796 [0,1,1,0,0,0|1,0,0]=3 336 B12R1.48 CCc1ccc(cc1O)C(=O)O MB06270 [0,1,1,0,0,0|1,0,0]=3 337 B12R1.48 CN(C)c1ccc(c(c1)O)OC MB33601 [0,1,1,0,0,0|2,0,0]=4 338 B12R1.48 CNc1ccc(cc1O)C(=O)N MB33559 [0,1,1,0,0,0|1,0,0]=3 339 B12R1.48 CNc1ccc(cc1O)C(=O)O MB29392 [0,1,1,0,0,0|1,0,0]=3 340 B12R1.48 COc1c(cc(cn1)C(=O)O)Br AB64029 [0,1,1,0,0,0|2,0,0]=4 341 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl AB20982 [0,1,1,0,0,0|2,0,0]=4 342 B12R1.48 COc1c(cc(cn1)C(=O)O)F AB62787 [0,1,1,0,0,0|2,0,0]=4 343 B12R1.48 COc1c(cc(cn1)C(=O)O)N AB84951 [0,1,1,0,0,0|2,0,0]=4 344 B12R1.48 COc1c(cc(cn1)C(=O)O)O AB74794 [0,1,1,0,0,0|1,0,0]=3 345 B12R1.48 COc1ccc(cc1Br)C(=N)N AB27395 [0,1,1,0,0,0|2,0,0]=4 346 B12R1.48 COc1ccc(cc1Br)C(=O)N AB64470 [0,1,1,0,0,0|1,0,0]=3 347 B12R1.48 COc1ccc(cc1Br)C(=O)O AB01268 [0,1,1,0,0,0|1,0,0]=3 348 B12R1.48 COc1ccc(cc1O)C(=O)N MB32793 [0,1,1,0,0,0|0,0,0]=2 349 B12R1.48 COc1ccc(nc1Br)C(=O)O AB25432 [0,1,1,0,0,0|2,0,0]=4 350 B12R1.48 COc1cnc(cc1Cl)C(=O)O AB67547 [0,1,1,0,0,0|2,0,0]=4 351 B12R1.48 CSc1ccc(cc1O)C(=O)N MB34551 [0,1,1,0,0,0|0,1,0]=3 352 B12R1.48 CSc1ccc(cc1O)C(=O)O MB30298 [0,1,1,0,0,0|0,1,0]=3 353 B12R1.48 Cc1cc(cnc1OC)C(=O)O AB70810 [0,1,1,0,0,0|2,0,0]=4 354 B12R1.48 c1cc(c(cc1C(=O)N)O)C#N MB26792 [0,1,1,0,0,0|2,0,0]=4 355 B12R1.48 c1cc(c(cc1C(=O)N)O)CN MB34020 [0,1,1,0,0,0|2,0,0]=4 356 B12R1.48 c1cc(c(cc1C(=O)O)O)C#N MB27102 [0,1,1,0,0,0|2,0,0]=4 357 B12R1.48 c1cc(c(cc1C(=O)O)O)CN MB25917 [0,1,1,0,0,0|2,0,0]=4 358 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [0,1,1,0,0,0|0,1,0]=3 359 B12R1.301 COc1c(cc(cc1Br)C=O)O MB07646 [0,1,1,0,0,0|0,0,0]=2 360 B12R1.450 COc1cc(c(cc1Br)OC)O AB23806 [0,1,1,0,0,0|2,0,0]=4 361 B12R1.452 CC(=O)c1c(cc(cn1)C=O)O AB84321 [0,1,1,0,0,0|2,0,0]=4 362 B12R1.452 CC(=O)c1ccc(nc1O)C=O AB84282 [0,1,1,0,0,0|2,0,0]=4 363 B12R1.452 CC(=O)c1cnc(cc1O)C=O AB84203 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.452 CC(C)c1ccc(cc1O)C=O MB22475 [0,1,1,0,0,0|1,0,0]=3 365 B12R1.452 CN(C)c1ccc(cc1O)C=O MB35354 [0,1,1,0,0,0|1,0,0]=3 366 B12R1.452 Cc1cc(ccc1N(C)C)C=O CB10492 [0,1,1,0,0,0|2,0,0]=4 367 B12R1.452 c1cc(c(cc1C=O)O)C(=O)N MB37703 [0,1,1,0,0,0|2,0,0]=4 368 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O MB30837 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.452 c1cc(c(cc1C=O)O)[N+](=O)[O-] AB00841 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.653 COc1ccc(c(c1O)N)C=O AB53243 [0,1,1,0,0,0|0,0,0]=2 371 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [0,1,1,0,0,0|1,0,1]=4 372 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,1,1,0,0,0|1,0,0]=3 373 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,1,1,0,0,0|1,0,0]=3 374 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [0,1,1,0,0,0|2,0,0]=4 375 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,1,1,0,0,0|1,0,0]=3 376 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,1,1,0,0,0|1,0,0]=3 377 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,1,1,0,0,0|1,0,0]=3 379 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,1,1,0,0,0|0,0,0]=2 380 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,1,1,0,0,0|2,0,0]=4 381 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,1,1,0,0,0|0,1,0]=3 382 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.56 c1cc(c(cc1C(=O)N)CN)O MB32597 [0,1,1,0,0,0|2,0,0]=4 384 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,1,1,0,0,0|2,0,0]=4 385 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,1,1,0,0,0|2,0,0]=4 386 B12R1.300 COc1cc(cc(c1F)F)C=O AB21036 [0,1,1,0,0,0|1,0,0]=3 387 B12R1.300 Cc1cc(cc(c1O)OC)C#N PB11362 [0,1,1,0,0,0|1,0,1]=4 388 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [0,1,1,0,0,0|2,0,0]=4 389 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [0,1,1,0,0,0|2,0,0]=4 390 B12R1.453 CC(=O)c1cc(ncc1O)C=O AB84161 [0,1,1,0,0,0|2,0,0]=4 391 B12R1.453 CC(C)c1cc(ccc1O)C=O MB22345 [0,1,1,0,0,0|1,0,0]=3 392 B12R1.453 CN(C)c1cc(ccc1O)C=O MB33544 [0,1,1,0,0,0|1,0,0]=3 393 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [0,1,1,0,0,0|2,0,0]=4 394 B12R1.654 Cc1cnc(c(c1OC)C)C=O CB11625 [0,1,1,0,0,0|2,0,0]=4 395 B12R2.132 c1cc2c(cc1Br)C(CO2)N AB27755 [1,1,0,0,0,0|2,0,0]=4 396 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [1,1,0,0,0,0|2,0,0]=4 397 B12R2.132 c1cc2c(cc1Cl)C(CO2)N AB27750 [1,1,0,0,0,0|2,0,0]=4 398 B12R2.132 c1cc2c(cc1F)C(CO2)N AB27751 [1,1,0,0,0,0|2,0,0]=4 399 B12R2.246 c1c(cc(c2c1CCO2)O)F AB43941 [1,1,0,0,0,0|2,0,0]=4 400 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [1,1,0,0,0,0|2,0,0]=4 401 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [1,1,0,0,0,0|2,0,0]=4 402 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [1,1,0,0,0,0|2,0,0]=4 403 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [1,1,0,0,0,0|2,0,0]=4 404 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [1,1,0,0,0,0|2,0,0]=4 405 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [1,1,0,0,0,0|2,0,0]=4 406 B14R2.134 c1cc2c(cc1C=O)NC(=O)CO2 MB04525 [0,1,0,0,0,1|1,0,0]=3 407 B14R2.781 B(c1ccc2c(c1)OCCO2)(O)O AB07964 [0,1,0,0,0,1|1,0,1]=4 408 B14R2.781 c1c(cnc2c1CCCO2)C(=O)O AB73657 [0,1,0,0,0,1|2,0,0]=4 409 B14R2.781 c1c(cnc2c1COCC2)C(=O)O AB68711 [0,1,0,0,0,1|2,0,0]=4 410 B14R2.781 c1c(cnc2c1OCCO2)C(=O)O AB73659 [0,1,0,0,0,1|1,0,0]=3 411 B14R2.781 c1cc2c(cc1C(=O)N)CCNC2 MB09170 [0,1,0,0,0,1|2,0,0]=4 412 B14R2.781 c1cc2c(cc1C(=O)O)C=CCO2 AB72151 [0,1,0,0,0,1|1,0,0]=3 413 B14R2.781 c1cc2c(cc1C(=O)O)CNCC2 MB07010 [0,1,0,0,0,1|2,0,0]=4 414 B14R2.781 c1cc2c(cc1C(=O)O)OCCN2 PB22561 [0,1,0,0,0,1|1,0,0]=3 415 B14R2.781 c1cc2c(cc1C(=O)O)OCCO2 AB06147 [0,1,0,0,0,1|0,0,0]=2 416 B14R2.781 c1cc2c(cc1[N+](=O)[O-])NCCO2 AB42101 [0,1,0,0,0,1|2,0,0]=4 417 B14R2.781 c1cc2c(cc1[N+](=O)[O-])OCCN2 AB64327 [0,1,0,0,0,1|2,0,0]=4 418 B14R2.1019 c1c(cc(c2c1OCCO2)Br)C=O MB04321 [0,1,0,0,0,1|0,0,0]=2 419 B14R2.1801 CN1CCCc2c1ccc(c2)C=O AB13794 [0,1,0,0,0,1|2,0,0]=4 420 B14R2.2332 c1cc2c(cc1C=O)OCC(=O)N2 MB11331 [0,1,0,0,0,1|1,0,0]=3 421 B14R2.3302 Cc1c(ccc2c1OC(C2)C)C=O AB16683 [0,2,0,0,0,0|1,0,0]=3 422 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)O AB42954 [0,2,0,0,0,0|1,0,1]=4 423 B14R2.601 c1cc2c(cc1C(=O)O)nc(o2)S AB10621 [0,2,0,0,0,0|1,0,1]=4 424 B14R2.601 c1cc2c(cc1C(=O)O)oc(n2)S AB49800 [0,2,0,0,0,0|1,0,1]=4 425 B14R2.624 c1c(c(cc2c1OCO2)N)C(=O)O AB01210 [0,2,0,0,0,0|0,0,0]=2 426 B14R2.966 c1c(cnc2c1OCO2)C(=O)CBr AB73673 [0,2,0,0,0,0|1,0,0]=3 427 B14R2.966 c1cc2c(cc1C(=O)C=O)OCO2 AB14103 [0,2,0,0,0,0|0,0,0]=2 428 B14R2.966 c1cc2c(cc1C(=O)C=O)OCO2 AB29998 [0,2,0,0,0,0|0,0,0]=2 429 B14R2.3125 CC(C)(c1ccc2c(c1)OCO2)N AB66342 [0,2,0,0,0,0|1,0,1]=4 430 B14R2.3125 c1c(cnc2c1OCO2)S(=O)(=O)Cl AB73706 [0,2,0,0,0,0|2,0,0]=4 431 B14R2.8824 c1c(cc(c2=CCN=c21)Br)C(=O)N AB76457 [0,2,0,0,0,0|2,0,0]=4 432 B14R2.8824 c1c(cc(c2=CCN=c21)Br)C(=O)O PB20807 [0,2,0,0,0,0|2,0,0]=4 433 B14R2.8824 c1c(cc(c2=CCN=c21)I)C(=O)O MB03167 [0,2,0,0,0,0|2,0,0]=4 434 B14R2.8824 c1c(cc(c2=CCN=c21)O)C(=O)O AB21429 [0,2,0,0,0,0|2,0,0]=4 435 B14R2.8824 c1c(cc2c(c1O)OCO2)C(=O)O AB31260 [0,2,0,0,0,0|0,0,0]=2 436 B14R2.24358 c1cc2c(cc1[N+](=O)[O-])C(=O)CO2 AB56731 [0,2,0,0,0,0|2,0,0]=4 437 B14R2.24358 c1cc2c(cc1[N+](=O)[O-])C(CO2)N AB56713 [0,2,0,0,0,0|2,0,0]=4 438 B14R2.991 c1cc2c(cc1CCC=O)OCO2 AB49248 [0,2,0,0,0,0|0,0,0]=2 439 B14R2.991 c1cc2c(cc1CCCN)OCO2 AB38744 [0,2,0,0,0,0|1,0,1]=4 440 B14R2.1008 c1c(cnc2c1OCO2)CC(=O)O AB73678 [0,2,0,0,0,0|1,0,0]=3 441 B14R2.3303 c1cc2c(cc1C=O)OC(O2)(F)F PB17187 [0,2,0,0,0,0|0,0,0]=2 442 B14R2.3303 c1cc2c(cc1CCl)OC(O2)(F)F AB69556 [0,2,0,0,0,0|1,0,1]=4 443 B14R2.3303 c1cc2c(cc1CN)OC(O2)(F)F AB23339 [0,2,0,0,0,0|1,0,1]=4 444 B14R2.3303 c1cc2c(cc1CO)OC(O2)(F)F PB17336 [0,2,0,0,0,0|0,0,2]=4 445 B12R2.315 c1cc(c2ccoc2c1)C=O MB08826 [0,0,1,1,0,0|1,0,1]=4 446 B12R2.315 c1cnc2c(c1C=O)OCO2 AB73691 [0,0,1,1,0,0|1,0,0]=3 447 B14R3.3046 c1cc2c(=CCO2)c3=NN=Cc31 MB10719 [0,1,0,1,0,0|2,0,0]=4 448 B14R3.3022 c1c2c(cc3c1OCO3)N=NC2 AB58201 [0,1,0,1,0,0|1,0,1]=4 449 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [1,0,0,0,0,1|1,0,1]=4 450 B12R2.24 c1c(cnc2c1OCCO2)Br AB70711 [1,0,0,0,0,1|2,0,0]=4 451 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [1,0,0,0,0,1|2,0,0]=4 452 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [1,0,0,0,0,1|2,0,0]=4 453 B12R2.24 c1cc2c(cc1Br)CCOC2 MB09745 [1,0,0,0,0,1|2,0,0]=4 454 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [1,0,0,0,0,1|2,0,0]=4 455 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [1,0,0,0,0,1|2,0,0]=4 456 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [1,0,0,0,0,1|1,0,0]=3 457 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [1,0,0,0,0,1|2,0,0]=4 458 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [1,0,0,0,0,1|2,0,0]=4 459 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [1,0,0,0,0,1|2,0,0]=4 460 B12R2.24 c1cc2c(cc1F)CCOC2 MB09734 [1,0,0,0,0,1|2,0,0]=4 461 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [1,0,0,0,0,1|2,0,0]=4 462 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [1,0,0,0,0,1|2,0,0]=4 463 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [1,0,0,0,0,1|2,0,0]=4 464 B12R2.24 c1cc2c(cc1N)CCOC2 MB07027 [1,0,0,0,0,1|2,0,0]=4 465 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [1,0,0,0,0,1|2,0,0]=4 466 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [1,0,0,0,0,1|2,0,0]=4 467 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [1,0,0,0,0,1|1,0,1]=4 468 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [1,0,0,0,0,1|1,0,1]=4 469 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [1,0,0,0,0,1|1,0,1]=4