0 B13R1.547 B(c1ccccc1C(=O)OC)(O)O AB11160 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.547 COC(=O)c1c(cccn1)C(=O)N AB76547 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.77 CCC(=O)c1ccccc1C#C AB69159 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.77 COC(=O)c1ccncc1C#C AB69063 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.77 COC(=O)c1ccncc1CBr AB64502 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.77 COc1ccccc1C(=N)OC AB60967 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.77 COc1ccccc1C(=O)C=O AB29979 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.261 B(c1ccccc1C(=O)C)(O)O AB09053 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.261 B(c1ccccc1C(=O)O)(O)O AB08634 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.261 B(c1ccccc1C(C)C)(O)O AB14291 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.261 B(c1ccccc1N(C)C)(O)O AB08809 [1,0,0,0,0,0|1,0,1]=3 22 B12R1.261 B(c1ccccc1N(C)C)(O)O AB30922 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.261 B(c1cccnc1N(C)C)(O)O AB67492 [1,0,0,0,0,0|2,0,1]=4 24 B14R1.623 B(c1ccccc1C(=O)OCC)(O)O AB11161 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.707 B(c1ccc(cc1C(=O)OC)F)(O)O AB30711 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.707 CC(C)c1ccc(cc1C(=O)NC)O MB25225 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.707 CNC(=O)c1cc(ccc1N(C)C)O MB25251 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.1126 B(c1cc(ccc1C(=O)OC)F)(O)O AB13721 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.1126 CC(C)c1cc(ccc1C(=O)NC)O MB37630 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)O MB26751 [0,1,0,0,0,0|1,0,0]=2 31 B14R1.1153 CC(C)c1c(cccc1O)C(=O)NC MB31596 [0,1,0,0,0,0|2,0,0]=3 32 B14R1.1153 CNC(=O)c1cccc(c1N(C)C)O MB27232 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.1164 CC(C)c1cccc(c1C(=O)NC)O MB25078 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.1164 CNC(=O)c1c(cccc1O)N(C)C MB25099 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.29285 CC1(c2ccccc2C(=O)CO1)C AB70312 [0,0,0,1,0,0|3,0,0]=4 36 B14R1.3302 COC(=O)Cc1ccccc1[N+](=O)[O-] AB07849 [0,0,0,0,0,1|2,0,1]=4 37 B11R1.53 CC(=O)c1cccnc1OC AB64711 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.53 CC(=O)c1cnccc1OC AB67883 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.53 CC(C)c1cccnc1C=O AB65916 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.53 COc1cccnc1C(=O)O MB04405 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.53 COc1ccncc1C(=O)O AB20474 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.53 COc1cnccc1C(=O)O AB32050 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.222 CCC(=O)c1ccccc1F MB00205 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.222 CNC(=O)c1ccccc1O MB00422 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.222 COC(=N)c1ccccc1F AB60966 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.222 COC(=N)c1ccccc1O AB60984 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.222 COC(=O)c1cccnc1Br AB31400 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.222 COC(=O)c1cccnc1O AB44640 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.222 COC(=O)c1ccncc1Br PB14358 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.222 COC(=O)c1ccncc1I PB10250 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 COC(=O)c1ccncc1N PB21166 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.222 COC(=O)c1cnccc1F AB70564 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)c1cnccc1N PB32232 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.222 COC(=O)c1cncnc1N AB70459 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [2,0,0,0,0,0|0,0,0]=2 63 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [2,0,0,0,0,0|2,0,0]=4 66 B13R1.107 CCc1c(cccc1O)C(=O)NC MB23566 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.107 CNC(=O)c1cccc(c1OC)O MB30185 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.107 CNc1c(cccc1O)C(=O)NC MB35579 [1,1,0,0,0,0|1,0,0]=3 69 B13R1.107 COC(=O)c1cccc(c1CBr)Br AB30419 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.107 COC(=O)c1cccc(c1CBr)Cl AB18072 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.382 COC(=O)c1ccccc1CCN AB23357 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.2065 CCc1cc(ccc1C(=O)NC)O MB23731 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.2065 CNC(=O)c1ccc(cc1OC)O MB27379 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.2065 CNc1cc(ccc1C(=O)NC)O MB26380 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.2065 COC(=O)c1ccc(cc1C#N)Cl MB05672 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br AB18064 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.2065 COC(=O)c1ccc(cc1CBr)F AB64116 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.2065 COc1c(ccc(n1)N)C(=O)OC AB70613 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.2065 COc1c(ccc(n1)O)C(=O)OC AB67047 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.2065 COc1cc(ccc1C(=O)OC)F AB23214 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.2209 CCc1c(cc(cn1)Cl)C(=O)OC AB85330 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.2209 CCc1ccc(cc1C(=O)NC)O MB23920 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.2209 CNC(=O)c1cc(ccc1OC)O MB25257 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.2209 CNC(=O)c1cc(ccc1SC)O MB25271 [1,1,0,0,0,0|2,0,0]=4 85 B13R1.2209 CNc1ccc(cc1C(=O)NC)O MB34187 [1,1,0,0,0,0|1,0,0]=3 86 B13R1.2209 COC(=O)c1cc(ccc1C#N)Cl MB05674 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.2209 COC(=O)c1cc(ccc1C=O)F MB09773 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.2209 COC(=O)c1cc(ccc1CBr)Br AB64112 [1,1,0,0,0,0|2,0,0]=4 89 B13R1.2209 COC(=O)c1cc(ccc1CBr)Cl AB30438 [1,1,0,0,0,0|2,0,0]=4 90 B13R1.2209 COC(=O)c1cc(ccc1CBr)F AB18074 [1,1,0,0,0,0|2,0,0]=4 91 B13R1.2209 COc1c(cc(cn1)Br)C(=O)OC PB25026 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.2209 COc1c(cc(cn1)Cl)C(=O)OC AB65269 [1,1,0,0,0,0|2,0,0]=4 93 B13R1.2209 COc1c(cc(cn1)F)C(=O)OC AB70571 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.2209 COc1c(cc(cn1)N)C(=O)OC AB66534 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.2209 COc1ccc(cc1C(=O)OC)N AB45660 [1,1,0,0,0,0|1,0,0]=3 96 B13R1.2209 Cc1ccc(c(c1)C(=O)OC)CBr AB74304 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.2357 CCc1cccc(c1C(=O)NC)O MB24037 [1,1,0,0,0,0|2,0,0]=4 98 B13R1.2357 CNC(=O)c1c(cccc1OC)O MB25102 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.2357 CNC(=O)c1c(cccc1SC)O MB25110 [1,1,0,0,0,0|2,0,0]=4 100 B13R1.2357 COC(=O)c1c(cccc1Br)CBr AB71886 [1,1,0,0,0,0|2,0,0]=4 101 B13R1.2357 COC(=O)c1c(cccc1Cl)CBr AB18078 [1,1,0,0,0,0|2,0,0]=4 102 B13R1.2357 COC(=O)c1c(cccc1F)CBr AB71887 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.2357 Cc1cccc(c1C(=O)OC)OC MB05930 [1,1,0,0,0,0|1,0,0]=3 104 B13R1.165 B(c1cc(ccc1N(C)C)C)(O)O AB30230 [1,1,0,0,0,0|1,0,1]=4 105 B13R1.165 CC(C)c1cc(ccc1C(=O)N)O MB22438 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.165 CC(C)c1cc(ccc1C(=O)O)O MB22440 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.165 CC(C)c1ccc(cc1C(=O)N)O MB22564 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.165 CC(C)c1ccc(cc1C(=O)O)O MB22568 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.165 CN(C)c1cc(ccc1C(=O)N)O MB24741 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.165 CN(C)c1cc(ccc1C(=O)O)O MB24742 [1,1,0,0,0,0|0,0,0]=2 111 B13R1.165 CN(C)c1ccc(cc1C(=O)N)O MB24876 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.165 CN(C)c1ccc(cc1C(=O)O)O MB24878 [1,1,0,0,0,0|0,0,0]=2 113 B13R1.165 CN(C)c1ccc(cc1N(C)C)O MB34880 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.295 CC(C)c1c(cccc1O)C(=O)N MB22313 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.295 CC(C)c1c(cccc1O)C(=O)O MB22316 [1,1,0,0,0,0|1,0,0]=3 116 B13R1.295 CC(C)c1c(cccc1O)N(C)C MB22324 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.295 CC(C)c1cccc(c1C(=O)N)O MB22643 [1,1,0,0,0,0|2,0,0]=4 118 B13R1.295 CC(C)c1cccc(c1C(=O)O)O MB08320 [1,1,0,0,0,0|1,0,0]=3 119 B13R1.295 CC(C)c1cccc(c1N(C)C)O MB22654 [1,1,0,0,0,0|1,0,1]=4 120 B13R1.295 CN(C)c1c(cccc1O)C(=O)N MB24654 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.295 CN(C)c1c(cccc1O)C(=O)O MB24656 [1,1,0,0,0,0|0,0,0]=2 122 B13R1.295 CN(C)c1cccc(c1C(=O)N)O MB24949 [1,1,0,0,0,0|1,0,0]=3 123 B13R1.295 CN(C)c1cccc(c1C(=O)O)O MB24952 [1,1,0,0,0,0|0,0,0]=2 124 B13R1.295 CN(C)c1cccc(c1N(C)C)O MB24962 [1,1,0,0,0,0|2,0,0]=4 125 B15R1.925 CC(C)Oc1ccc(cc1C(=O)NC)O MB25264 [0,1,0,0,0,1|2,0,0]=4 126 B15R1.11746 CC(C)Oc1cccc(c1C(=O)NC)O MB25107 [0,1,0,0,0,1|2,0,0]=4 127 B15R1.38499 CC(C)Oc1c(cccc1O)C(=O)NC MB35710 [0,1,0,0,0,1|2,0,0]=4 128 B15R1.8264 CC(C)c1c(cccc1O)C(=O)N(C)C MB22306 [0,2,0,0,0,0|2,0,0]=4 129 B15R1.8264 CN(C)c1c(cccc1O)C(=O)N(C)C MB24645 [0,2,0,0,0,0|1,0,0]=3 130 B15R1.8266 CC(C)c1cccc(c1C(=O)N(C)C)O MB22632 [0,2,0,0,0,0|2,0,0]=4 131 B15R1.8266 CN(C)c1cccc(c1C(=O)N(C)C)O MB24944 [0,2,0,0,0,0|1,0,0]=3 132 B15R1.8414 CC(C)c1cc(ccc1C(=O)N(C)C)O MB22430 [0,2,0,0,0,0|2,0,0]=4 133 B15R1.8414 CN(C)c1cc(ccc1C(=O)N(C)C)O MB24734 [0,2,0,0,0,0|1,0,0]=3 134 B15R1.8416 CC(C)c1ccc(cc1C(=O)N(C)C)O MB22555 [0,2,0,0,0,0|2,0,0]=4 135 B15R1.8416 CN(C)c1ccc(cc1C(=O)N(C)C)O MB24867 [0,2,0,0,0,0|1,0,0]=3 136 B15R1.927 CC(C)(C)c1ccc(cc1C(=O)NC)O MB25223 [0,2,0,0,0,0|2,0,0]=4 137 B15R1.11678 CC(C)(C)c1cc(ccc1C(=O)NC)O MB38276 [0,2,0,0,0,0|2,0,0]=4 138 B15R1.11740 CC(C)(C)c1cccc(c1C(=O)NC)O MB25075 [0,2,0,0,0,0|2,0,0]=4 139 B15R1.38500 CC(C)(C)c1c(cccc1O)C(=O)NC MB36461 [0,2,0,0,0,0|2,0,0]=4 140 B15R1.38500 COC(=O)c1ccnc(c1[Si](C)(C)C)Br AB31093 [0,2,0,0,0,0|2,0,0]=4 141 B15R1.38509 COC(=O)c1cccc(c1C(=O)OC)Br PB34522 [0,2,0,0,0,0|2,0,0]=4 142 B15R1.38509 COC(=O)c1cccc(c1C(=O)OC)N PB31341 [0,2,0,0,0,0|2,0,0]=4 143 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.582 COc1cccc2c1C(=O)CC2 AB42918 [1,0,0,1,0,0|2,0,0]=4 145 B13R2.582 COc1cccc2c1C(=O)NC2 AB63860 [1,0,0,1,0,0|2,0,0]=4 146 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [1,0,0,1,0,0|2,0,0]=4 147 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [1,0,0,1,0,0|1,0,0]=3 148 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [1,0,0,1,0,0|2,0,0]=4 149 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [1,0,0,1,0,0|1,0,0]=3 150 B13R2.12159 CC1(c2ccccc2C(=O)N1)C PB38777 [1,0,0,1,0,0|2,0,0]=4 151 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [1,0,0,1,0,0|1,0,0]=3 152 B15R2.19309 COC(=O)c1cccc2c1NC(=O)C2 PB19984 [0,0,0,1,0,1|2,0,0]=4 153 B15R2.19309 Cn1cc2c(cccc2n1)C(=O)OC PB23868 [0,0,0,1,0,1|1,0,0]=3 154 B15R2.19309 Cn1cc2cccc(c2n1)C(=O)OC PB32933 [0,0,0,1,0,1|0,0,1]=3 155 B15R2.19335 CNC(=O)c1ccccc1OC2CC2 MB47381 [0,0,0,1,0,1|2,0,0]=4 156 B15R2.19335 COC(=O)c1ccccc1OC2CC2 MB20142 [0,0,0,1,0,1|1,0,0]=3 157 B15R2.23388 Cn1c2ccccc2c(n1)C(=O)OC AB16482 [0,0,0,1,0,1|1,0,0]=3 158 B15R2.19310 Cn1c2c(cccc2C(=O)OC)cn1 PB34575 [0,1,0,1,0,0|0,0,1]=3 159 B13R1.91 COC(=O)Cc1ccccc1C#N AB11476 [1,0,0,0,0,1|2,0,0]=4 160 B13R1.91 COC(=O)Cc1ccccc1CN AB55321 [1,0,0,0,0,1|2,0,0]=4