0 B11R1.267 CCc1cccc(c1Br)CC TS44297 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.267 CCc1cccc(c1N)CC TS40786 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.267 CCc1cccc(c1O)CC TS60244 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.267 COc1c(c(ccn1)C=O)Cl TS07742 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.267 COc1cccc(c1Br)OC TS49206 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.267 COc1cccc(c1Cl)OC TS09253 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.267 COc1cccc(c1F)C#N TS09288 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.267 COc1cccc(c1F)C=O TS55328 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.267 COc1cccc(c1N)C#N TS40629 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.267 COc1cccc(c1N)OC TS47315 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.267 COc1cccc(c1O)C#N TS40729 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.267 COc1cccc(c1O)CO TS10414 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.267 COc1cccc(c1O)OC TS10409 [0,0,0,0,0,0|0,0,0]=0 13 B11R1.267 Cc1c(ccnc1CCl)OC TS85342 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.267 c1cc(c(c(c1)C=O)O)C=O TS07651 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.2 CCc1cccc(c1C)C TS36862 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.2 CCc1cccc(c1O)C TS06085 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.2 COc1cccc(c1Br)F TS08297 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.2 COc1cccc(c1Br)N TS39650 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.2 COc1cccc(c1Br)O TS38374 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.2 COc1cccc(c1Cl)N TS55195 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.2 COc1cccc(c1F)Br TS65479 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.2 COc1cccc(c1F)Cl TS42232 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.2 COc1cccc(c1F)F TS02338 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.2 COc1cccc(c1F)O TS37550 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.2 COc1cccc(c1I)F TS09365 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.2 COc1cccc(c1N)F TS55365 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.2 COc1cccc(c1O)Br TS87716 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.2 COc1cccc(c1O)F TS65426 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.2 COc1cccc(c1O)O TS60018 [1,0,0,0,0,0|0,0,0]=1 33 B10R1.2 COc1cccn(=O)c1Br TS19666 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.2 COc1ccnc(c1I)N TS62788 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,0,0,0,0,0|2,1,0]=4 38 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.2 Cc1cccc(c1C)C#N TS05675 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.2 Cc1cccc(c1C)NN TS13271 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.2 Cc1cccc(c1C)NN TS51214 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.2 Cc1cccc(c1F)C#N TS02161 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.2 Cc1cccc(c1F)CBr TS09289 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.2 Cc1cccc(c1N)OC TS01100 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,0,0,0,0,0|0,0,0]=1 55 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.2 Cc1ccnc(c1N)OC TS06277 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.2 c1cc(c(c(c1)O)F)C#N TS65413 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.172 CCc1cc(cnc1)CC TS36963 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.172 CCc1cccc(c1)C#N TS00148 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.172 CCc1cccc(c1)NN TS13273 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.172 CNc1cccc(c1)OC TS37104 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.172 CNc1cccc(n1)OC TS37198 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.172 COC1=CCC=C(C1)OC TS06471 [1,0,0,0,0,0|0,0,2]=3 75 B10R1.172 COc1cc(ccn1)C#N TS36820 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.172 COc1cc(ccn1)CN TS86154 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.172 COc1cc(ccn1)CO TS86056 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.172 COc1cc(cnc1)C=O TS37089 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.172 COc1cc(cnc1)CN TS92215 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.172 COc1cc(cnc1)CO TS86006 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.172 COc1cc(cnc1)OC TS02599 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.172 COc1cc(ncn1)OC TS02932 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.172 COc1cccc(c1)C#C TS36666 [1,0,0,0,0,0|1,0,1]=3 85 B10R1.172 COc1cccc(c1)C#N TS39448 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.172 COc1cccc(c1)C=O TS02819 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.172 COc1cccc(c1)CBr TS38037 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.172 COc1cccc(c1)CCl TS39449 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.172 COc1cccc(c1)CN TS60017 [1,0,0,0,0,0|2,0,0]=3 90 B10R1.172 COc1cccc(c1)CO TS39311 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.172 COc1cccc(c1)NN TS02825 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.172 COc1cccc(c1)OC TS46804 [1,0,0,0,0,0|0,0,0]=1 94 B10R1.172 COc1cccc(c1)SC TS41406 [1,0,0,0,0,0|0,1,0]=2 95 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.172 COc1cccc(n1)C#N TS36815 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.172 COc1cccc(n1)C=O TS01259 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.172 COc1cccc(n1)CN TS46568 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.172 COc1cccc(n1)CO TS06371 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.172 COc1cccc(n1)OC TS65016 [1,0,0,0,0,0|1,0,0]=2 101 B10R1.172 COc1ccnc(c1)CO TS46547 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.172 COc1ccnc(c1)OC TS06363 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.172 COc1ccnc(n1)OC TS47234 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.172 COc1cncc(n1)OC TS37359 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.172 CSc1ccnc(c1)SC TS45357 [1,0,0,0,0,0|1,2,0]=4 106 B12R1.235 CCc1cc(cc(c1N)CC)Br TS00003 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.235 CCc1cc(cc(c1N)CC)C TS11762 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.235 COC1=CC(=O)C=C(C1=O)CO TS44811 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.235 COC1=CC(=O)C=C(C1=O)OC TS12483 [0,1,0,0,0,0|0,0,1]=2 110 B12R1.235 COc1c(c(nc(n1)N)OC)N TS39114 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.235 COc1cc(cc(c1O)C#N)Br TS52576 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.235 COc1cc(cc(c1O)C=O)Br TS53112 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.235 COc1cc(cc(c1O)C=O)I TS33983 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.235 COc1cc(cc(c1O)OC)O TS12771 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.235 Cc1cc(c(c(c1)OC)O)OC TS44867 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.280 CCOc1cccc(c1O)C=O TS12195 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.280 COc1cccc(c1O)CC#N TS11701 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.280 COc1cccc(c1O)CC=C TS11852 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.440 B(c1cccc(c1F)OC)(O)O TS55330 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.440 B(c1cccc(c1O)OC)(O)O TS43295 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] TS55073 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] TS88600 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.440 COc1cccc(c1F)C(=O)O TS55329 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.440 COc1cccc(c1N)C(=O)O TS47371 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] TS01101 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.440 COc1cccc(c1O)C(=O)O TS44816 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.440 Cc1c(cccc1OC)C(=O)Cl TS60305 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.440 Cc1c(cccc1OC)C(=O)O TS70645 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.440 Cc1c(cccc1OC)[N+](=O)[O-] TS01112 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.654 COc1c(ccc(c1F)C#N)F TS02126 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.654 COc1ccc(c(c1O)C=O)Br TS53122 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.1879 COc1cccc(c1C#N)OC TS09252 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.1879 COc1cccc(c1C=O)OC TS12192 [0,1,0,0,0,0|0,0,1]=2 134 B12R1.1879 COc1cccc(c1CN)OC TS43241 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.1879 COc1cccc(c1CO)OC TS44862 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.1879 COc1cccc(c1OC)C#N TS11690 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.1879 COc1cccc(c1OC)C=O TS07899 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.1879 COc1cccc(c1OC)CCl TS49010 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.1879 COc1cccc(c1OC)CN TS43247 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.1879 COc1cccc(c1OC)CO TS44869 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.1879 COc1cccc(c1SC)OC TS15316 [0,1,0,0,0,0|0,1,0]=2 142 B12R1.1879 COc1ccnc(c1OC)CCl TS15877 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.1879 COc1ccnc(c1OC)CCl TS47084 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.1879 COc1ccnc(c1OC)CO TS16699 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.1879 COc1cncc(c1C=O)OC TS12359 [0,1,0,0,0,0|1,0,1]=3 146 B12R2.315 C=Cc1cccc2c1CCO2 TS32981 [0,0,0,1,0,0|2,0,1]=4 147 B12R2.315 COc1c2c(ccn1)cco2 TS90407 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.315 COc1cccc2c1CCN2 TS71200 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.315 COc1cccc2c1CCN2 TS71201 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.315 COc1cccc2c1NCC2 TS07572 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.315 COc1cccc2c1[nH]cc2 TS55687 [0,0,0,1,0,0|2,0,1]=4 152 B12R2.315 COc1cccc2c1[nH]nc2 TS39798 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.315 COc1cccc2c1cc[nH]2 TS03147 [0,0,0,1,0,0|2,0,1]=4 154 B12R2.315 COc1cccc2c1occ2 TS07423 [0,0,0,1,0,0|1,0,1]=3 155 B12R2.315 c1cc(c2c(c1)OCC2)C=O TS07415 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.315 c1cc(c2c(c1)OCO2)C=O TS47126 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.315 c1cc(c2c(c1)OCO2)CO TS10136 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.315 c1cc2c(c(c1)C=O)OCC2 TS07412 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.315 c1cc2c(c(c1)CO)OCC2 TS07695 [0,0,0,1,0,0|3,0,0]=4 160 B9R1.2 C#Cc1cccc(c1)O TS32329 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.2 CC[n+]1cccc(c1)O TS38523 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.2 CCc1cccc(c1)Br TS32764 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.2 CCc1cccc(c1)C TS04835 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.2 CCc1cccc(c1)N TS32463 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.2 CCc1cccc(c1)O TS04895 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.2 CCc1cccc(n1)C TS32466 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.2 CCc1ccnc(c1)C TS32469 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.2 CNc1cccc(c1)Br TS48829 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.2 CNc1cccc(c1)Cl TS37535 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.2 CNc1cccc(c1)F TS70598 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.2 COc1cc(ccn1)Cl TS03053 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.2 COc1cc(ccn1)F TS05258 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.2 COc1cc(ccn1)I TS71184 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.2 COc1cc(ccn1)N TS02966 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.2 COc1cc(cnc1)Br TS65932 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.2 COc1cc(cnc1)Cl TS06905 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.2 COc1cc(cnc1)I TS25666 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.2 COc1cc(cnc1)N TS55470 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.2 COc1cc(cnc1)N TS89352 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.2 COc1cc(cnc1)O TS55469 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [2,0,0,0,0,0|1,0,1]=4 182 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [2,0,0,0,0,0|1,0,1]=4 183 B9R1.2 COc1cccc(c1)Br TS00028 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.2 COc1cccc(c1)Cl TS37686 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.2 COc1cccc(c1)F TS70591 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.2 COc1cccc(c1)I TS39445 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.2 COc1cccc(c1)N TS02081 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.2 COc1cccc(c1)N TS11191 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.2 COc1cccc(c1)O TS39714 [2,0,0,0,0,0|0,0,0]=2 190 B9R1.2 COc1cccc(c1)S TS70650 [2,0,0,0,0,0|0,1,0]=3 191 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.2 COc1cccc(n1)Br TS08366 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.2 COc1cccc(n1)Cl TS55270 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.2 COc1cccc(n1)I TS56597 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.2 COc1cccc(n1)O TS05074 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.2 COc1ccnc(c1)Br TS08328 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.2 COc1ccnc(c1)Cl TS55226 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.2 COc1ccnc(c1)N TS47406 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.2 CSc1cccc(c1)Br TS60340 [2,0,0,0,0,0|1,1,0]=4 200 B9R1.2 CSc1cccc(c1)Cl TS42003 [2,0,0,0,0,0|1,1,0]=4 201 B9R1.2 CSc1cccc(c1)F TS60012 [2,0,0,0,0,0|1,1,0]=4 202 B9R1.2 CSc1cccc(c1)I TS27987 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.2 CSc1cccc(c1)N TS02674 [2,0,0,0,0,0|1,1,0]=4 204 B9R1.2 Cc1cc(cnc1)OC TS04960 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.2 Cc1cccc(c1)C#C TS32229 [2,0,0,0,0,0|1,0,1]=4 206 B9R1.2 Cc1cccc(c1)C#N TS02843 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.2 Cc1cccc(c1)C=C TS70680 [2,0,0,0,0,0|1,0,1]=4 208 B9R1.2 Cc1cccc(c1)CBr TS00037 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.2 Cc1cccc(c1)CCl TS37460 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.2 Cc1cccc(c1)CN TS04866 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.2 Cc1cccc(c1)CO TS04903 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.2 Cc1cccc(c1)CS TS06306 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.2 Cc1cccc(c1)NC TS32467 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.2 Cc1cccc(c1)NN TS04918 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.2 Cc1cccc(c1)NN TS41997 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 Cc1cccc(c1)OC TS32509 [2,0,0,0,0,0|0,0,0]=2 218 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.2 Cc1cccc(n1)OC TS00087 [2,0,0,0,0,0|1,0,0]=3 221 B9R1.2 Cc1ccnc(c1)OC TS04955 [2,0,0,0,0,0|1,0,0]=3 222 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.2 c1cc(cc(c1)O)CO TS32602 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.3 CC1=CC=C[C@H]([C@H]1O)O TS05151 [2,0,0,0,0,0|0,0,2]=4 228 B9R1.3 Cc1c(c(=O)cc[nH]1)O TS05073 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.3 Cc1c(c(=O)cco1)O TS05135 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.3 Cc1c(c(ncn1)C)O TS05019 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.3 Cc1c(cccc1F)O TS70572 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.3 Cc1c(cccc1O)N TS02637 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.3 Cc1c(cccc1O)O TS32599 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.3 Cc1cccc(c1Br)C TS47327 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.3 Cc1cccc(c1Br)Cl TS01772 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.3 Cc1cccc(c1Br)F TS09120 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.3 Cc1cccc(c1C)Br TS65899 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.3 Cc1cccc(c1C)C TS07872 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.3 Cc1cccc(c1C)Cl TS65291 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.3 Cc1cccc(c1C)F TS65316 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.3 Cc1cccc(c1C)I TS25160 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.3 Cc1cccc(c1C)N TS07902 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.3 Cc1cccc(c1C)N TS10929 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.3 Cc1cccc(c1C)O TS07901 [2,0,0,0,0,0|1,0,0]=3 245 B9R1.3 Cc1cccc(c1C)S TS06305 [2,0,0,0,0,0|1,1,0]=4 246 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.3 Cc1cccc(c1Cl)Br TS20048 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.3 Cc1cccc(c1Cl)C TS37458 [2,0,0,0,0,0|1,0,0]=3 249 B9R1.3 Cc1cccc(c1Cl)Cl TS11355 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.3 Cc1cccc(c1F)Br TS65480 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.3 Cc1cccc(c1F)C TS09256 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.3 Cc1cccc(c1F)Cl TS22994 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.3 Cc1cccc(c1F)I TS65047 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.3 Cc1cccc(c1F)N TS02631 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.3 Cc1cccc(c1F)O TS08401 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.3 Cc1cccc(c1I)C TS53266 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.3 Cc1cccc(c1I)Cl TS65975 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.3 Cc1cccc(c1I)F TS70566 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.3 Cc1cccc(c1N)Br TS48835 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.3 Cc1cccc(c1N)Cl TS00930 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.3 Cc1cccc(c1N)F TS55366 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.3 Cc1cccc(c1N)N TS00551 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.3 Cc1cccc(c1N)O TS47377 [2,0,0,0,0,0|1,0,0]=3 264 B9R1.3 Cc1cccc(c1O)C TS04899 [2,0,0,0,0,0|0,0,0]=2 265 B9R1.3 Cc1cccc(c1O)Cl TS37681 [2,0,0,0,0,0|1,0,0]=3 266 B9R1.3 Cc1cccc(c1O)N TS55527 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.3 Cc1cccc(c1O)O TS32601 [2,0,0,0,0,0|0,0,0]=2 268 B9R1.3 Cc1cccc(c1S)C TS06310 [2,0,0,0,0,0|0,1,0]=3 269 B9R1.3 Cc1cccc(n1=O)C TS04973 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.3 Cc1ccnc(c1Br)O TS15903 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.3 Cc1ccnc(c1O)Cl TS06902 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.3 Cc1cncc(c1Br)C TS48834 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.3 Cc1cncc(c1N)C TS04913 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.3 Cc1cncc(c1O)F TS05257 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [2,0,0,0,0,0|2,0,0]=4 276 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [2,0,0,0,0,0|2,0,0]=4 278 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.3 c1cc(c(c(c1)Br)O)Br TS00698 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.3 c1cc(c(c(c1)Br)O)F TS60270 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.3 c1cc(c(c(c1)Br)O)N TS00797 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.3 c1cc(c(c(c1)Cl)O)Cl TS11645 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.3 c1cc(c(c(c1)Cl)O)F TS55258 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.3 c1cc(c(c(c1)F)O)F TS47306 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.3 c1cc(c(c(c1)F)O)N TS01226 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [2,0,0,0,0,0|1,0,0]=3 295 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.3 c1cc(c(c(c1)I)O)F TS57023 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [2,0,0,0,0,0|1,0,0]=3 301 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [2,0,0,0,0,0|1,0,0]=3 303 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [2,0,0,0,0,0|1,0,0]=3 304 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [2,0,0,0,0,0|1,0,0]=3 306 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [2,0,0,0,0,0|1,0,0]=3 307 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [2,0,0,0,0,0|0,0,0]=2 308 B9R1.15 C#Cc1ccccc1O TS55318 [2,0,0,0,0,0|1,0,1]=4 309 B9R1.15 CCc1ccccc1Br TS15420 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.15 CCc1ccccc1C TS16337 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.15 CCc1ccccc1Cl TS37450 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.15 CCc1ccccc1I TS25157 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.15 CCc1ccccc1N TS32474 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.15 CCc1ccccc1O TS04900 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.15 CCc1ccccc1S TS06304 [2,0,0,0,0,0|1,1,0]=4 316 B9R1.15 CNc1ccccc1Cl TS37531 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.15 CNc1ccccc1F TS56413 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.15 CNc1ccccc1N TS01587 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.15 CNc1ccccc1N TS41998 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.15 CNc1ccccc1N TS60152 [2,0,0,0,0,0|2,0,0]=4 321 B9R1.15 CNc1ccccc1O TS04968 [2,0,0,0,0,0|1,0,0]=3 322 B9R1.15 COc1c(cccn1)Br TS65905 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.15 COc1c(cccn1)Cl TS65976 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.15 COc1c(cccn1)F TS36212 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.15 COc1c(cccn1)I TS02808 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.15 COc1c(cccn1)N TS02635 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.15 COc1ccccc1Br TS00023 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.15 COc1ccccc1Cl TS37688 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.15 COc1ccccc1F TS60288 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.15 COc1ccccc1I TS09308 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.15 COc1ccccc1N TS29238 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.15 COc1ccccc1N TS59329 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.15 COc1ccccc1P TS06425 [2,0,0,0,0,0|1,0,0]=3 334 B9R1.15 COc1ccccc1S TS37393 [2,0,0,0,0,0|0,1,0]=3 335 B9R1.15 COc1ccccc1[Zn+] TS74540 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.15 COc1cccnc1Br TS08305 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.15 COc1cccnc1Cl TS55198 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.15 COc1cccnc1I TS25665 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.15 COc1cccnc1N TS47373 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.15 COc1cccnc1O TS55383 [2,0,0,0,0,0|1,0,0]=3 341 B9R1.15 COc1ccncc1Br TS09454 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.15 COc1ccncc1I TS02810 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.15 COc1ccncc1N TS65861 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.15 CSc1ccccc1Br TS19526 [2,0,0,0,0,0|1,1,0]=4 345 B9R1.15 CSc1ccccc1Cl TS42002 [2,0,0,0,0,0|1,1,0]=4 346 B9R1.15 CSc1ccccc1F TS06689 [2,0,0,0,0,0|1,1,0]=4 347 B9R1.15 CSc1ccccc1I TS27990 [2,0,0,0,0,0|1,1,0]=4 348 B9R1.15 CSc1ccccc1O TS37395 [2,0,0,0,0,0|0,1,0]=3 349 B9R1.15 CSc1ccccc1[Zn+] TS76795 [2,0,0,0,0,0|1,1,0]=4 350 B9R1.15 Cc1c(cccn1)OC TS04964 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.15 Cc1ccccc1NC TS32471 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.15 Cc1ccccc1OC TS32508 [2,0,0,0,0,0|1,0,0]=3 353 B9R1.15 Cc1cccnc1OC TS04965 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.15 c1ccc(c(c1)CN)O TS04954 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.15 c1ccc(c(c1)CO)O TS32604 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [2,0,0,0,0,0|2,0,0]=4 360 B11R1.8 COc1cc(cc(c1Cl)F)F TS14300 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.8 COc1cc(cc(c1F)F)Br TS50250 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.8 Cc1cc(cc(c1I)OC)Cl TS54569 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.8 Cc1cc(cc(c1O)C=O)Br TS44642 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.8 Cc1cc(cc(c1O)C=O)Cl TS12919 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.8 Cc1cc(cc(c1O)C=O)F TS41352 [1,1,0,0,0,0|2,0,0]=4 367 B11R1.8 Cc1cc(cc(c1O)OC)Br TS86158 [1,1,0,0,0,0|0,0,0]=2 368 B11R1.13 CCNc1cccc(c1C)C TS40772 [1,1,0,0,0,0|2,0,0]=4 369 B11R1.13 CCOc1cccc(c1F)F TS59507 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [1,1,0,0,0,0|1,0,1]=4 371 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [1,1,0,0,0,0|2,0,0]=4 372 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [1,1,0,0,0,0|2,0,0]=4 380 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [1,1,0,0,0,0|2,0,0]=4 381 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [1,1,0,0,0,0|2,0,0]=4 387 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.159 Cc1cccc(c1N)C(C)C TS55412 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.265 COc1cccc(c1C#N)Cl TS12429 [1,1,0,0,0,0|2,0,0]=4 395 B11R1.265 COc1cccc(c1C#N)F TS65425 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.265 COc1cccc(c1C=O)Cl TS12929 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.265 COc1cccc(c1C=O)F TS60286 [1,1,0,0,0,0|1,0,1]=4 398 B11R1.265 COc1cccc(c1C=O)I TS29740 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.265 COc1cccc(c1C=O)O TS16696 [1,1,0,0,0,0|0,0,1]=3 400 B11R1.265 COc1cccc(c1OC)Br TS49207 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.265 COc1cccc(c1OC)Cl TS45567 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.265 COc1cccc(c1OC)F TS41600 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.265 COc1cccc(c1OC)O TS41358 [1,1,0,0,0,0|0,0,0]=2 404 B11R1.265 COc1ccnc(c1C#N)O TS71208 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.265 COc1ccnc(c1OC)Cl TS43725 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.265 Cc1cccc(c1OC)OC TS41140 [1,1,0,0,0,0|0,0,0]=2 407 B11R1.278 COc1ccc(c(c1Br)F)F TS50251 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.278 COc1ccc(c(c1Cl)Cl)Cl TS21187 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.278 COc1ccc(c(c1F)F)Br TS50253 [1,1,0,0,0,0|2,0,0]=4 410 B11R1.278 COc1ccc(c(c1F)F)F TS42384 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.278 COc1ccc(c(c1F)F)O TS42117 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [1,1,0,0,0,0|1,0,0]=3 413 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.278 Cc1c(ccc(c1O)C=O)O TS70655 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.278 c1cc(c(c(c1C#N)O)O)O TS09999 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.278 c1cc(c(c(c1C=O)O)O)O TS10387 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.9 CCc1cc(cc(c1)Br)CC TS44300 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.9 CCc1cc(cc(c1)CC)C TS07503 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.9 COc1cc(cc(c1)Br)C#N TS09340 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.9 COc1cc(cc(c1)Br)OC TS59899 [1,1,0,0,0,0|0,0,0]=2 422 B11R1.9 COc1cc(cc(c1)Cl)C=O TS12931 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.9 COc1cc(cc(c1)Cl)CBr TS25795 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.9 COc1cc(cc(c1)Cl)CO TS45568 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.9 COc1cc(cc(c1)Cl)OC TS09202 [1,1,0,0,0,0|0,0,0]=2 426 B11R1.9 COc1cc(cc(c1)F)C#N TS09381 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.9 COc1cc(cc(c1)F)C=O TS59691 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.9 COc1cc(cc(c1)F)CBr TS00150 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.9 COc1cc(cc(c1)F)OC TS02366 [1,1,0,0,0,0|0,0,0]=2 430 B11R1.9 COc1cc(cc(c1)I)OC TS65282 [1,1,0,0,0,0|0,0,0]=2 431 B11R1.9 COc1cc(cc(c1)OC)N TS02595 [1,1,0,0,0,0|0,0,0]=2 432 B11R1.9 COc1cc(cc(c1)OC)O TS02598 [1,1,0,0,0,0|0,0,0]=2 433 B11R1.9 COc1cc(cc(c1)S)OC TS65763 [1,1,0,0,0,0|0,0,0]=2 434 B11R1.9 COc1cc(nc(c1)OC)N TS47384 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.9 COc1cc(nc(n1)Cl)OC TS00877 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.9 COc1cc(nc(n1)N)OC TS47385 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.9 COc1cc(nc(n1)OC)Br TS22528 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.9 COc1cc(nc(n1)OC)Cl TS45869 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.9 COc1cc(nc(n1)S)OC TS45460 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.9 Cc1cc(cc(c1)OC)C#N TS07326 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.9 Cc1cc(cc(c1)OC)OC TS02600 [1,1,0,0,0,0|0,0,0]=2 442 B11R1.9 Cc1nc(cc(n1)OC)OC TS01120 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.189 CCOc1cccc(c1)C=O TS09862 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.189 CCOc1cccc(c1)CO TS41134 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.189 CNCc1cccc(c1)OC TS41039 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.189 COc1cccc(c1)CCN TS02822 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.189 COc1cccc(c1)CCO TS41136 [1,1,0,0,0,0|1,0,0]=3 448 B11R1.189 COc1cccc(c1)CNN TS88044 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [1,1,0,0,0,0|1,0,0]=3 450 B11R1.189 COc1cccc(c1)N=C=O TS40722 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.189 COc1cccc(c1)N=C=S TS42924 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.266 B(c1cccc(c1)OC)(O)O TS02824 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.266 CC(C)c1cccc(n1)OC TS07961 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.266 CC(c1cccc(c1)OC)O TS41146 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.266 CCc1cccc(c1)C(C)C TS07506 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.266 CN(C)c1cccc(c1)OC TS10068 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.266 COc1cccc(c1)[N+](=O)[O-] TS41249 [1,1,0,0,0,0|2,0,0]=4 466 B11R1.266 C[C@@H](c1cccc(c1)OC)N TS08650 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.266 C[C@H](c1cccc(c1)OC)N TS59481 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.280 CNc1c(ccc(n1)OC)N TS24118 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.280 CNc1ccc(c(n1)OC)N TS10321 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.280 COc1c(cnc(n1)OC)Br TS16972 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.280 COc1c(cnc(n1)OC)I TS71570 [1,1,0,0,0,0|2,0,0]=4 474 B11R1.280 COc1cc(c(nc1)N)OC TS10430 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.280 COc1cc(ccc1F)C#N TS71118 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.280 COc1cc(ccc1F)C=O TS02813 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.280 COc1cc(ccc1F)CBr TS60401 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.280 COc1cc(ccc1F)CCl TS13590 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.280 COc1cc(ccc1F)CO TS41605 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.280 COc1cc(ccc1O)C#N TS03114 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.280 COc1cc(ccc1O)C=C TS40861 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.280 COc1cc(ccc1O)C=O TS02812 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.280 COc1cc(ccc1O)CN TS16249 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.280 COc1cc(ccc1O)CO TS10411 [1,1,0,0,0,0|2,0,0]=4 485 B11R1.280 COc1cc(ncc1N)OC TS10429 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.280 COc1ccc(c(c1)C#N)F TS60283 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.280 COc1ccc(c(c1)C#N)N TS47438 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.280 COc1ccc(c(c1)C#N)O TS07543 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.280 COc1ccc(c(c1)C=O)Br TS08350 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.280 COc1ccc(c(c1)C=O)F TS09303 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.280 COc1ccc(c(c1)C=O)O TS10130 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.280 COc1ccc(c(c1)CCl)F TS13600 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.280 COc1ccc(c(c1)CN)F TS51363 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.280 COc1ccc(c(c1)CO)Br TS49205 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.280 COc1ccc(c(c1)CO)Cl TS45564 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.280 COc1ccc(c(c1)CO)F TS41599 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.280 COc1ccc(c(c1)NN)F TS51559 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [1,1,0,0,0,0|0,0,0]=2 500 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [1,1,0,0,0,0|0,0,0]=2 501 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [1,1,0,0,0,0|0,0,0]=2 502 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [1,1,0,0,0,0|0,0,0]=2 503 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [1,1,0,0,0,0|0,0,0]=2 504 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [1,1,0,0,0,0|0,0,0]=2 505 B11R1.280 COc1ccc(c(n1)OC)N TS17198 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.280 COc1ccc(c(n1)OC)N TS65843 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [1,1,0,0,0,0|2,0,0]=4 508 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [1,1,0,0,0,0|0,0,0]=2 510 B13R1.302 COc1cc(cc(c1C=O)OC)O TS47314 [0,2,0,0,0,0|0,0,1]=3 511 B13R1.302 COc1cc(cc(c1OC)C#N)Br TS57641 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.302 COc1cc(cc(c1OC)C=O)Cl TS19103 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.302 COc1cc(cc(c1OC)OC)Br TS59898 [0,2,0,0,0,0|0,0,0]=2 514 B13R1.302 COc1cc(cc(c1OC)OC)I TS35662 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.302 COc1cc(cc(c1OC)OC)N TS32925 [0,2,0,0,0,0|0,0,0]=2 516 B13R1.302 COc1cc(cc(c1OC)OC)O TS15252 [0,2,0,0,0,0|0,0,0]=2 517 B13R1.302 Cc1cc(c(c(c1)OC)C=O)OC TS47906 [0,2,0,0,0,0|0,0,1]=3 518 B13R1.302 Cc1cc(c(c(c1)OC)CO)OC TS48263 [0,2,0,0,0,0|0,0,0]=2 519 B13R1.302 Cc1cc(c(c(c1)OC)OC)C=O TS47163 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.302 Cc1cc(c(c(c1)OC)OC)OC TS02524 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.433 COc1cc(c(c(c1)OC)Br)OC TS27568 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.433 COc1cc(c(c(c1)OC)O)OC TS47186 [0,2,0,0,0,0|0,0,0]=2 523 B13R1.433 COc1cc(cc(c1Br)OC)C=O TS09567 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.433 COc1cc(cc(c1Br)OC)CO TS16765 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.433 COc1cc(cc(c1O)OC)C=O TS14919 [0,2,0,0,0,0|0,0,0]=2 526 B13R1.433 COc1cc(cc(c1O)OC)CO TS15263 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.433 Cc1c(cc(cc1OC)OC)OC TS48270 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.82 COc1cccc(c1O)C(=O)OC TS14921 [0,2,0,0,0,0|0,0,0]=2 529 B13R1.376 CCOc1cccc(c1C)OCC TS14647 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.3911 COc1cccc(c1OC)C=NO TS14759 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.3911 COc1cccc(c1OC)CC#N TS46284 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.3911 COc1cccc(c1OC)CCN TS48103 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.3911 COc1cccc(c1OC)CCN TS48118 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.645 COc1cccc(c1O)S(=O)(=O)[O-] TS82300 [0,2,0,0,0,0|1,1,0]=4 535 B13R1.2137 B(c1cccc(c1OC)OC)(O)O TS16353 [0,2,0,0,0,0|2,0,0]=4 536 B13R1.2137 CC(C)c1cccc(c1OC)OC TS47959 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.2137 COc1cccc(c1OC)C(=O)Cl TS38001 [0,2,0,0,0,0|2,0,0]=4 538 B13R1.2137 COc1cccc(c1OC)C(=O)N TS48089 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.2137 COc1cccc(c1OC)C(=O)O TS02342 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.2137 COc1cccc(c1OC)C(=S)N TS18471 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.3801 CC(C)c1cccc(c1O)C(C)C TS14273 [0,2,0,0,0,0|2,0,0]=4 542 B13R1.2277 COc1ccc(c(c1OC)OC)N TS15133 [0,2,0,0,0,0|0,0,0]=2 543 B13R1.2277 COc1ccc(c(c1OC)OC)O TS15264 [0,2,0,0,0,0|0,0,0]=2 544 B13R1.2422 COc1ccc(c(c1Cl)OC)C=O TS19104 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.2422 COc1ccc(c(c1OC)O)C=O TS14925 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.2422 Cc1c(ccc(c1OC)C=O)OC TS47914 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.2356 B(c1c(cccc1OC)OC)(O)O TS47316 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.2356 CC(=O)c1c(cccc1OC)OC TS47903 [0,2,0,0,0,0|0,0,1]=3 549 B13R1.2356 COc1cccc(c1C(=O)Cl)OC TS38000 [0,2,0,0,0,0|0,0,1]=3 550 B13R1.2356 COc1cccc(c1C(=O)N)OC TS48076 [0,2,0,0,0,0|0,0,1]=3 551 B13R1.2356 COc1cccc(c1C(=O)O)OC TS09251 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.2356 COc1cccc(c1C(=S)N)OC TS18473 [0,2,0,0,0,0|0,1,0]=3 553 B13R1.3904 CCOc1c(cccc1OC)C=O TS47919 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.3904 COc1cccc(c1N=C=O)OC TS14364 [0,2,0,0,0,0|0,0,1]=3 555 B11R1.59 COc1ccsc1C(=O)OC TS45455 [0,0,1,1,0,0|1,1,0]=4 556 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [0,0,1,1,0,0|2,0,0]=4 557 B11R2.106 Cc1cccc2c1NCC2 TS39800 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [1,0,0,1,0,0|1,0,0]=3 560 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [1,0,0,1,0,0|1,0,0]=3 561 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [1,0,0,1,0,0|2,0,0]=4 562 B11R2.106 c1cc2cnoc2c(c1)O TS05967 [1,0,0,1,0,0|2,0,0]=4 563 B13R2.623 c1c(cc2c(c1C=O)OCO2)Br TS24643 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.292 c1cc(c2c(c1)OCC2)CCO TS42757 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.1613 COc1cccc2c1CCC=C2 TS42196 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.1613 COc1cccc2c1CCCN2 TS71579 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.1613 COc1cccc2c1CCNC2 TS18914 [0,1,0,1,0,0|2,0,0]=4 568 B13R2.1613 COc1cccc2c1OCCN2 TS19276 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.1613 c1cc(c2c(c1)OCCO2)C#N TS08795 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.1613 c1cc(c2c(c1)OCCO2)C=O TS00563 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.1613 c1cc(c2c(c1)OCCO2)CN TS19275 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.1613 c1cc(c2c(c1)OCCO2)CN TS42883 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.1613 c1cc(c2c(c1)OCCO2)CO TS12185 [0,1,0,1,0,0|2,0,0]=4 574 B13R2.573 COc1cccc2c1CCC2=O TS03146 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.573 COc1cccc2c1CCC2N TS18916 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.573 COc1cccc2c1COC2=O TS11819 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.573 COc1cccc2c1OCC2=O TS11816 [0,1,0,1,0,0|1,0,0]=3 578 B13R2.573 Cn1ccc2c1cccc2OC TS42321 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.5569 B(c1cccc2c1OCO2)(O)O TS12126 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.5569 CC(=O)c1cccc2c1OCC2 TS42454 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.5569 c1cc(c2c(c1)OCO2)C(=O)O TS00362 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.611 Cc1ccc(c2c1CCC2)OC TS11600 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.582 COc1cccc2c1C(=O)CC2 TS42453 [0,1,0,1,0,0|1,0,1]=4 584 B9R1.14 COc1cscc1OC TS65762 [1,0,0,0,1,0|1,0,0]=3 585 B11R1.279 CNc1ccc(cc1N)OC TS10200 [0,0,0,0,1,1|2,0,0]=4 586 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [0,0,0,0,1,1|1,0,0]=3 587 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [0,0,0,0,1,1|1,0,0]=3 588 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [0,0,0,0,1,1|1,0,0]=3 589 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [0,0,0,0,1,1|1,0,0]=3 590 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [0,0,0,0,1,1|1,0,0]=3 591 B11R1.279 COc1ccc(c(c1)O)C=O TS55391 [0,0,0,0,1,1|2,0,0]=4 592 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [0,0,0,0,1,1|2,0,0]=4 593 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [0,0,0,0,1,1|0,0,0]=2 594 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [0,0,0,0,1,1|0,1,0]=3 595 B11R1.279 COc1ccc(cc1O)C#N TS70607 [0,0,0,0,1,1|2,0,0]=4 596 B11R1.279 COc1ccc(cc1O)C=O TS70606 [0,0,0,0,1,1|2,0,0]=4 597 B11R1.279 COc1ccc(cc1O)CN TS16250 [0,0,0,0,1,1|2,0,0]=4 598 B11R1.279 COc1ccc(cc1O)CO TS10408 [0,0,0,0,1,1|2,0,0]=4 599 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [0,0,0,0,1,1|1,0,0]=3 600 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [0,0,0,0,1,1|1,1,0]=4