0 B10R1.20 CNc1c(cccn1)CO CM14403 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.20 COc1ccccc1CCl CM13440 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.20 COc1ccccc1NN CM13803 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.20 COc1cccnc1C#N CM14023 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.20 c1ccc(c(c1)CO)CO CM13268 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.15 CCc1c(cccn1)Br CM10670 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 CNc1ccncc1N CM14025 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 COc1c(nccn1)N CM10653 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 COc1cccnc1Br CM14120 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 COc1cccnc1N CM10903 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 COc1cnccc1N CM10329 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CSc1ccccc1I CM11822 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.15 Cc1ccncc1C=O CM10260 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.15 c1ccc(c(c1)C#N)F CM13066 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 c1ccc(c(c1)C#N)I CM13126 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 c1ccc(c(c1)CN)F CM13538 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 c1ccc(c(c1)NN)Br CM13792 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 c1cncc(c1O)C#N CM10064 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.37 CCc1cc(ccc1C=O)O CM10866 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.37 COc1c(cc(cn1)Br)C=O CM10177 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.37 COc1c(ccc(n1)F)C=O CM10674 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.37 COc1cc(ccc1C#N)Br CM10855 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.37 COc1cc(ccc1C#N)O CM10236 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.37 COc1cc(ccc1C=O)Cl CM11892 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.37 COc1cc(ccc1C=O)F CM11965 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.37 COc1cc(ccc1C=O)O CM10220 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.37 COc1ccc(cc1C#N)Cl CM13018 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.37 COc1ccc(cc1C#N)F CM13086 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.37 COc1ccc(cc1C=O)Br CM11857 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.37 COc1ccc(cc1C=O)Cl CM11893 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.37 COc1ccc(cc1C=O)F CM11967 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.37 COc1ccc(cc1CBr)F CM13413 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.37 COc1ccc(cc1CO)Br CM13299 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.37 COc1ccc(cc1CO)F CM13414 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.37 COc1ccc(cc1OC)F CM12244 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.37 COc1ccc(cc1OC)O CM11739 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.37 Cc1ccc(c(c1)C#N)C=O CM10508 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.37 Cc1ccc(c(c1)OC)C#N CM13131 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.41 CCOc1ccccc1OC CM11747 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.41 c1ccc(c(c1)C#N)N=C=O CM13766 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.53 B(c1cccnc1OC)(O)O CM10017 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.53 CC(=O)c1cccnc1OC CM10529 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.53 CC(C)c1ccccc1C=O CM10477 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.53 COc1c(nccn1)C(=O)O CM10657 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.53 c1ccc(c(c1)C#N)C(=O)O CM12612 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.53 c1cncc(c1[N+](=O)[O-])C=O CM10259 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.265 CCc1cccc(c1C#N)O CM10382 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.265 CCc1cccc(c1C=O)O CM10385 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.265 COc1c(c(ccn1)Br)C=O CM10672 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.265 COc1c(c(ccn1)I)C=O CM10512 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.265 COc1c(cccc1Cl)C=O CM11890 [0,1,0,0,0,0|0,0,0]=1 54 B11R1.265 COc1c(cccc1F)C=O CM10186 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.265 COc1c(cccc1O)C#N CM10647 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.265 COc1cccc(c1C#N)F CM13082 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.265 COc1cccc(c1C=O)F CM10224 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.265 COc1cccc(c1CN)F CM13539 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.265 COc1cccc(c1OC)F CM12242 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.265 COc1cccc(c1OC)O CM10883 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.265 COc1cncc(c1C=O)Br CM10232 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.265 CSc1cccc(c1C=O)Cl CM10148 [0,1,0,0,0,0|0,1,0]=2 63 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 Cn1c2ccccc2nn1 CM11059 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,0|2,0,0]=3 66 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,0,0,1,0,0|2,0,0]=3 67 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,1,0,0|1,0,1]=3 68 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,0,0,1,0,0|2,0,0]=3 70 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,0,0,1,0,0|1,0,1]=3 71 B11R2.20 c1ccc2cnccc2c1 CM14380 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.5 Cc1c(cccn1)N CM14488 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 Cc1cccnc1Cl CM13849 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 c1cc(c(nc1)O)F CM10987 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 c1ccc(c(c1)F)Cl CM12138 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.5 c1ccc(c(c1)I)I CM12234 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.5 c1ccc(c(c1)N)Br CM11265 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 c1ccc(c(c1)N)I CM11493 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.2 CCc1cccc(c1F)O CM10380 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.2 CCc1cccc(c1O)Cl CM10496 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.2 COc1cccc(c1Br)I CM10146 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.2 COc1cccc(c1Br)N CM10475 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.2 COc1cccc(c1Cl)Cl CM11715 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.2 COc1cccc(c1Cl)N CM11554 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.2 COc1cccc(c1F)Br CM11633 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.2 COc1cccc(c1F)F CM11722 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.2 COc1cccc(c1F)N CM11575 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.2 COc1cccc(c1F)O CM10645 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.2 COc1cccc(c1I)F CM11753 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.2 COc1cccc(c1I)N CM11587 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.2 COc1cccc(c1N)F CM11569 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.2 COc1cccc(c1O)Cl CM10886 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.2 COc1cccc(c1O)F CM11754 [1,1,0,0,0,0|0,0,1]=3 95 B10R1.2 Cc1c(cccc1Cl)C=O CM11895 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.2 Cc1c(cccc1Cl)SC CM10023 [1,1,0,0,0,0|0,1,1]=4 97 B10R1.2 Cc1c(cccc1F)C#N CM13091 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.2 Cc1c(cccc1F)C=O CM11971 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.2 Cc1c(cccc1OC)N CM11591 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.2 Cc1c(ccnc1C=O)Br CM10400 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.2 Cc1cccc(c1C)CBr CM13401 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.2 Cc1cccc(c1C)OC CM11740 [1,1,0,0,0,0|0,0,1]=3 103 B10R1.2 Cc1cccc(c1Cl)C=O CM11894 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.2 Cc1cccc(c1F)C=O CM11968 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.2 c1cc(c(c(c1)Br)Br)C=O CM14314 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.2 c1cc(c(c(c1)Br)F)C=O CM11840 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.2 c1cc(c(c(c1)Br)O)C=O CM11851 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O CM10328 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.2 c1cc(c(c(c1)Cl)F)C=O CM11878 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.2 c1cc(c(c(c1)Cl)O)C#N CM10555 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.2 c1cc(c(c(c1)Cl)O)C=O CM11885 [1,1,0,0,0,0|0,0,0]=2 112 B10R1.2 c1cc(c(c(c1)F)Cl)C=O CM11875 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.2 c1cc(c(c(c1)F)F)C=O CM10129 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.2 c1cc(c(c(c1)F)I)C=O CM11954 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.2 c1cc(c(c(c1)F)O)C=O CM10374 [1,1,0,0,0,0|0,0,0]=2 116 B10R1.2 c1cc(c(c(c1)N)O)C#N CM10899 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.2 c1cc(c(c(c1)O)F)C=O CM10470 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.2 c1cc(c(c(c1)O)O)C#N CM10875 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.4 CCOc1cnccc1N CM10330 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 CCc1ccc(cc1Br)N CM10376 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.25 CCc1ccc(cc1Cl)N CM10383 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.25 COc1c(cc(cn1)Br)Br CM10171 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.25 COc1c(cc(cn1)Br)F CM10081 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.25 COc1ccc(cc1Br)F CM11629 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.25 COc1ccc(cc1Cl)F CM11675 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.25 COc1ccc(cc1F)Br CM11639 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.25 COc1ccc(cc1F)N CM11578 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.25 COc1ccc(cc1F)O CM10878 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.25 COc1ccc(cc1I)N CM11589 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.25 COc1ccc(cc1N)F CM10389 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.25 COc1ccc(cc1N)I CM11585 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.25 Cc1cc(ccc1C#N)Br CM12985 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.25 Cc1cc(ccc1C#N)F CM13094 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.25 Cc1cc(ccc1C#N)O CM10086 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.25 Cc1cc(ccc1C=O)F CM11974 [1,1,0,0,0,0|0,0,0]=2 138 B10R1.25 Cc1cc(ccc1C=O)O CM11992 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.25 Cc1cc(ccc1CN)Br CM10182 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.25 Cc1cc(ccc1CN)O CM10123 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.25 Cc1cc(ccc1CO)Br CM13303 [1,1,0,0,0,0|0,0,2]=4 142 B10R1.25 Cc1cc(ccc1OC)N CM11595 [1,1,0,0,0,0|0,0,1]=3 143 B10R1.25 Cc1ccc(c(c1)Cl)OC CM10214 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.25 Cc1ccc(c(c1)F)C=O CM11969 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.25 c1cc(c(cc1Br)Br)C=O CM11917 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.25 c1cc(c(cc1Br)Cl)C=O CM11829 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.25 c1cc(c(cc1Br)F)C=O CM11842 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.25 c1cc(c(cc1Br)O)C=O CM11853 [1,1,0,0,0,0|0,0,0]=2 149 B10R1.25 c1cc(c(cc1Br)O)CO CM13296 [1,1,0,0,0,0|0,0,2]=4 150 B10R1.25 c1cc(c(cc1Cl)F)C=O CM11881 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.25 c1cc(c(cc1Cl)O)C#N CM13012 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.25 c1cc(c(cc1Cl)O)C=O CM11886 [1,1,0,0,0,0|0,0,0]=2 153 B10R1.25 c1cc(c(cc1F)Br)C=O CM11837 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.25 c1cc(c(cc1F)Cl)C=O CM11876 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.25 c1cc(c(cc1F)F)C=O CM11929 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.25 c1cc(c(cc1F)N)C=O CM11825 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.25 c1cc(c(cc1F)O)C=O CM11951 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.25 c1cc(c(cc1I)F)C=O CM11953 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.25 c1cc(c(cc1N)O)C#N CM10121 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.25 c1cc(c(cc1O)Br)C=O CM10868 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.25 c1cc(c(cc1O)Cl)C=O CM10154 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.25 c1cc(c(cc1O)F)C=O CM11947 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.25 c1cc(c(cc1O)I)C=O CM10867 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.25 c1cc(c(cc1O)O)C#N CM14137 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.25 c1cc(nc(c1C=O)Br)Br CM10104 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.30 CCc1cc(ccc1F)O CM10379 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.30 CCc1cc(ccc1N)Br CM11297 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.30 COc1c(ccc(n1)Br)N CM10431 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.30 COc1cc(ccc1Br)F CM11630 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.30 COc1cc(ccc1Br)I CM11648 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.30 COc1cc(ccc1Br)N CM11550 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.30 COc1cc(ccc1Cl)F CM11676 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.30 COc1cc(ccc1Cl)I CM11687 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.30 COc1cc(ccc1Cl)N CM11557 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.30 COc1cc(ccc1Cl)O CM10884 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.30 COc1cc(ccc1F)F CM11723 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.30 COc1cc(ccc1F)N CM11582 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.30 COc1cc(ccc1F)O CM11756 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.30 COc1cc(ccc1I)Br CM11652 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.30 COc1cc(ccc1I)Cl CM11691 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.30 COc1cc(ccc1I)I CM10921 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.30 COc1cc(ccc1N)Br CM10651 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.30 COc1cc(ccc1N)F CM11572 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.30 COc1cc(ccc1N)I CM11586 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.30 COc1cc(ccc1O)N CM10211 [1,1,0,0,0,0|0,0,1]=3 186 B10R1.30 COc1cc(cnc1Br)I CM10904 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.30 COc1cc(cnc1I)I CM10902 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.30 Cc1ccc(c(c1)C#N)O CM10144 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.30 Cc1ccc(c(c1)C=O)F CM11970 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.30 Cc1ccc(c(c1)OC)Br CM11655 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.30 Cc1ccc(cc1C#N)F CM13096 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.30 Cc1ccc(cc1C#N)N CM12933 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.30 Cc1ccc(cc1C=O)Br CM11858 [1,1,0,0,0,0|0,0,0]=2 194 B10R1.30 Cc1ccc(cc1C=O)F CM11975 [1,1,0,0,0,0|0,0,0]=2 195 B10R1.30 Cc1ccc(cc1CBr)F CM13415 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.30 Cc1ccc(cc1NN)F CM13802 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.30 c1cc(c(cc1Br)C=O)Cl CM11830 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.30 c1cc(c(cc1Br)C=O)F CM11844 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.30 c1cc(c(cc1Br)C=O)I CM11855 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.30 c1cc(c(cc1Cl)C=O)Br CM14485 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.30 c1cc(c(cc1Cl)C=O)N CM11824 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.30 c1cc(c(cc1F)C=O)Br CM11838 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.30 c1cc(c(cc1F)C=O)Cl CM11877 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.30 c1cc(c(cc1F)C=O)F CM11930 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.30 c1cc(c(cc1F)C=O)I CM11958 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.30 c1cc(c(cc1F)C=O)O CM11952 [1,1,0,0,0,0|0,0,0]=2 207 B10R1.30 c1cc(c(cc1O)C=O)F CM10372 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.61 CC(C)c1ccccc1Br CM12111 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.61 CN(C)c1ccccc1F CM11439 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] CM14024 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F CM12272 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.245 C=Cc1c(cccc1F)F CM13492 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.245 CCc1c(cccc1O)N CM10920 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.245 COc1c(cccc1Br)F CM11631 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.245 COc1c(cccc1Br)O CM10876 [1,1,0,0,0,0|0,0,1]=3 222 B10R1.245 COc1c(cccc1Cl)F CM11678 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.245 COc1c(cccc1Cl)O CM10468 [1,1,0,0,0,0|0,0,1]=3 224 B10R1.245 COc1c(cccc1F)F CM11726 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.245 COc1c(cccc1F)N CM11574 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.245 COc1c(cccc1I)F CM11752 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.245 CSc1c(cccc1Br)O CM10097 [1,1,0,0,0,0|0,1,1]=4 228 B10R1.245 Cc1cccc(c1C#N)Br CM12983 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.245 Cc1cccc(c1C#N)Cl CM13019 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.245 Cc1cccc(c1C#N)F CM13090 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.245 Cc1cccc(c1C=O)C CM11940 [1,1,0,0,0,0|0,0,0]=2 232 B10R1.245 Cc1cccc(c1C=O)O CM10373 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.245 c1cc(c(c(c1)Br)C#N)O CM12977 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl CM10551 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.245 c1cc(c(c(c1)Br)C=O)F CM11839 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.245 c1cc(c(c(c1)Cl)C#N)O CM13009 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.245 c1cc(c(c(c1)Cl)C=O)O CM11884 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.245 c1cc(c(c(c1)F)C=O)F CM11931 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.245 c1cc(c(c(c1)F)C=O)O CM10484 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.245 c1cnc(c(c1Cl)C=O)Cl CM10668 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.245 c1cnc(c(c1I)C=O)Cl CM10358 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.46 CC(C)c1cc(ccc1C=O)O CM10871 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.46 COc1ccc(cc1C(=O)O)F CM10931 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])C=O CM12002 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.46 c1cc(c(cc1Br)C(=O)O)C#N CM12472 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])C=O CM11861 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.46 c1cc(c(cc1Cl)[N+](=O)[O-])C=O CM14010 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.46 c1cc(c(cc1F)[N+](=O)[O-])C=O CM11981 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.57 COc1c(ccc(n1)F)C(=O)O CM10675 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.57 COc1c[n+](ccc1[N+](=O)[O-])[O-] CM10323 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.57 COc1cc(ccc1C(=O)O)F CM12752 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.57 COc1cc(ccc1C(=O)O)O CM10237 [0,2,0,0,0,0|0,0,0]=2 253 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br CM11664 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl CM11697 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F CM11774 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] CM11790 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.57 c1cc(c(cc1Cl)C=O)[N+](=O)[O-] CM11899 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.57 c1cc(c(cc1F)C=O)[N+](=O)[O-] CM11982 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.78 COc1cc(ccc1C=O)C#N CM11916 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.78 COc1ccc(c(c1)C#N)C=O CM10827 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.78 COc1ccc(cc1OC)C=O CM13990 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.78 COc1ccc(cc1OC)CCl CM10937 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.78 COc1ccc(cc1OC)CO CM13395 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.234 COc1cc(cc(c1C=O)F)Cl CM10913 [0,2,0,0,0,0|0,0,0]=2 265 B12R1.448 COc1cc(c(cc1C#N)F)F CM13050 [0,2,0,0,0,0|1,0,1]=4 266 B12R1.448 COc1cc(c(cc1C=O)F)F CM11937 [0,2,0,0,0,0|0,0,0]=2 267 B12R1.652 COc1ccc(c(c1C#N)F)F CM13047 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.652 COc1ccc(c(c1C=O)F)Br CM11845 [0,2,0,0,0,0|0,0,0]=2 269 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N CM13682 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.77 COC(=O)c1ccccc1CBr CM12526 [0,2,0,0,0,0|1,0,1]=4 271 B12R1.283 c1ccc(c(c1)CCO)[N+](=O)[O-] CM14329 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.87 B(c1cccc(c1OC)F)(O)O CM13570 [0,2,0,0,0,0|1,0,1]=4 273 B12R1.87 COc1c(cccc1Br)[N+](=O)[O-] CM11660 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.87 COc1c(cccc1Cl)[N+](=O)[O-] CM11694 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.87 COc1c(cccc1F)C(=O)O CM12749 [0,2,0,0,0,0|0,0,0]=2 276 B12R1.87 c1cc(c(c(c1)Br)C=O)[N+](=O)[O-] CM10110 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.87 c1cc(c(c(c1)F)C=O)[N+](=O)[O-] CM11978 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.261 CC(C)c1ccccc1C(=O)O CM12827 [0,2,0,0,0,0|1,0,0]=3 279 B12R1.437 CC(=O)c1c(cccc1OC)O CM11215 [0,2,0,0,0,0|0,0,0]=2 280 B12R1.437 COc1cccc(c1C(=O)O)Br CM12522 [0,2,0,0,0,0|0,0,0]=2 281 B12R1.437 COc1cccc(c1C(=O)O)F CM10857 [0,2,0,0,0,0|0,0,0]=2 282 B12R1.437 COc1cccc(c1C(=O)O)N CM12424 [0,2,0,0,0,0|0,0,0]=2 283 B12R1.437 Cc1cccc(c1C(=O)N)OC CM13182 [0,2,0,0,0,0|0,0,0]=2 284 B12R1.437 Cc1cccc(c1C(=O)O)OC CM12829 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.437 c1cc(c(c(c1)Cl)[N+](=O)[O-])C=O CM11898 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.437 c1cc(c(c(c1)F)[N+](=O)[O-])C=O CM11979 [0,2,0,0,0,0|2,0,0]=4 287 B12R1.741 COc1c(ccc(c1CO)Cl)Cl CM13348 [0,2,0,0,0,0|0,0,2]=4 288 B12R1.1879 COc1c(c(ncn1)OC)C=O CM10699 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.1879 COc1cccc(c1OC)C#N CM13058 [0,2,0,0,0,0|1,0,1]=4 290 B12R1.1879 COc1cncc(c1C=O)OC CM10828 [0,2,0,0,0,0|1,0,0]=3 291 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,0,1,1,0,0|2,0,0]=4 292 B10R1.172 COc1ccnc(c1)C=O CM10390 [0,0,1,1,0,0|2,0,0]=4 293 B10R1.176 COc1ccc(c(c1)Br)Br CM11710 [0,0,1,1,0,0|2,0,0]=4 294 B10R1.176 COc1ccc(c(c1)Br)Cl CM11606 [0,0,1,1,0,0|2,0,0]=4 295 B10R1.176 COc1ccc(c(c1)Br)F CM11635 [0,0,1,1,0,0|2,0,0]=4 296 B10R1.176 COc1ccc(c(c1)Br)N CM11549 [0,0,1,1,0,0|2,0,0]=4 297 B10R1.176 COc1ccc(c(c1)Br)O CM10826 [0,0,1,1,0,0|2,0,0]=4 298 B10R1.176 COc1ccc(c(c1)Cl)Br CM11609 [0,0,1,1,0,0|2,0,0]=4 299 B10R1.176 COc1ccc(c(c1)Cl)I CM10120 [0,0,1,1,0,0|2,0,0]=4 300 B10R1.176 COc1ccc(c(c1)Cl)N CM10924 [0,0,1,1,0,0|2,0,0]=4 301 B10R1.176 COc1ccc(c(c1)F)Br CM11640 [0,0,1,1,0,0|2,0,0]=4 302 B10R1.176 COc1ccc(c(c1)F)Cl CM11682 [0,0,1,1,0,0|2,0,0]=4 303 B10R1.176 COc1ccc(c(c1)F)N CM11580 [0,0,1,1,0,0|2,0,0]=4 304 B10R1.176 COc1ccc(c(c1)F)O CM10554 [0,0,1,1,0,0|2,0,0]=4 305 B10R1.176 COc1ccc(c(c1)I)Br CM11651 [0,0,1,1,0,0|2,0,0]=4 306 B10R1.176 COc1ccc(c(c1)I)N CM11588 [0,0,1,1,0,0|2,0,0]=4 307 B10R1.176 COc1ccc(c(c1)N)Cl CM11555 [0,0,1,1,0,0|2,0,0]=4 308 B10R1.176 COc1ccc(c(c1)N)F CM11576 [0,0,1,1,0,0|2,0,0]=4 309 B10R1.176 COc1ccc(c(c1)N)N CM11705 [0,0,1,1,0,0|2,0,0]=4 310 B10R1.176 COc1ccc(c(c1)N)N CM11706 [0,0,1,1,0,0|2,0,0]=4 311 B10R1.176 Cc1cc(ccc1Br)OC CM10191 [0,0,1,1,0,0|2,0,0]=4 312 B10R1.176 Cc1cc(ccc1Cl)C=O CM11897 [0,0,1,1,0,0|2,0,0]=4 313 B10R1.176 Cc1cc(ccc1N)OC CM11596 [0,0,1,1,0,0|2,0,0]=4 314 B10R1.176 Cc1cc(ccc1O)C=O CM11993 [0,0,1,1,0,0|2,0,0]=4 315 B10R1.176 Cc1ccc(cc1Br)OC CM11656 [0,0,1,1,0,0|1,0,1]=4 316 B10R1.176 Cc1ccc(cc1C)C=O CM11941 [0,0,1,1,0,0|1,0,1]=4 317 B10R1.176 Cc1ccc(cc1F)OC CM11761 [0,0,1,1,0,0|1,0,1]=4 318 B10R1.176 Cc1ccc(cc1N)OC CM11592 [0,0,1,1,0,0|1,0,1]=4 319 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [1,0,0,1,0,0|1,0,1]=4 320 B12R2.24 c1cc2c(cc1Br)NCCO2 CM10585 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.24 c1cc2c(cc1Br)OCCN2 CM10582 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.24 c1cc2c(cc1Cl)NCCO2 CM10578 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.24 c1cc2c(cc1O)OCCN2 CM10299 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,1,0,1,0,0|1,0,1]=4 325 B12R2.132 Cn1c2cc(ccc2cn1)Br CM10481 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 CM14374 [0,1,0,1,0,0|1,0,0]=3 327 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [0,1,0,1,0,0|0,0,0]=2 328 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [0,1,0,1,0,0|0,0,0]=2 329 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 CM10602 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [0,1,0,1,0,0|0,0,0]=2 331 B12R2.612 Cn1c2ccc(cc2cn1)Br CM10482 [0,1,0,1,0,0|2,0,0]=4 332 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,1,0,1,0,0|1,0,0]=3 333 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,1,0,1,0,0|0,0,0]=2 334 B12R2.612 c1cc2c(cc1Br)onc2Cl CM10126 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,1,0,1,0,0|0,0,0]=2 336 B12R2.612 c1cc2c(cc1Cl)onc2O CM13873 [0,1,0,1,0,0|1,0,1]=4 337 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,1,0,1,0,0|1,0,0]=3 338 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,1,0,1,0,0|0,0,0]=2 339 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [0,1,0,1,0,0|1,0,0]=3 340 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,1,0,1,0,0|1,0,0]=3 341 B12R2.315 COc1ccnc2c1cc[nH]2 CM14134 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.315 c1cc(c2cc[nH]c2c1)C=O CM10925 [0,1,0,1,0,0|1,0,1]=4 343 B12R2.315 c1cc(c2ccoc2c1)C=O CM10759 [0,1,0,1,0,0|1,0,1]=4 344 B12R2.1081 c1cc2c(c(c1)O)OCCN2 CM10580 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,1,0,1,0,0|1,0,0]=3 346 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,1,0,0|0,0,0]=2 347 B12R2.1081 c1ccc2c(c1)C(CCO2)N CM10306 [0,1,0,1,0,0|1,0,1]=4 348 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,1,0,1,0,0|1,0,0]=3 349 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.196 Cn1c2cccc(c2cn1)O CM10815 [0,1,0,1,0,0|2,0,0]=4 351 B12R2.196 c1cc2c(c(c1)Br)CCC2=O CM10103 [0,1,0,1,0,0|1,0,0]=3 352 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O CM10362 [0,1,0,1,0,0|1,0,0]=3 353 B12R2.196 c1cc2c(c(c1)F)CCC2=O CM10386 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.11 c1csc(c1C=O)Br CM10421 [1,0,0,0,1,0|2,0,0]=4