0 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.1 COc1ccc(cn1)O ACT11358 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.1 COc1cnc(nc1)Cl ACT06635 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 COc1ncc(cn1)Br ACT01648 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 CSc1cnc(cn1)Br ACT07157 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.1 Cc1ccc(cc1)NN ACT01152 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.1 c1cc(ccc1C#N)I ACT08158 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.1 c1cc(ccc1C=O)O ACT01156 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.1 c1cc(ccc1CO)N ACT00253 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 c1cc(ccc1NN)Br ACT12528 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.1 c1cc(ccc1NN)F ACT08904 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 c1cc(ncc1Br)C#N ACT01653 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.1 c1cc(ncc1CO)Br ACT07897 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.2 C#Cc1ccccc1 ACT08960 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.2 C#Cc1ccccn1 ACT09195 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.2 C#Cc1cccnc1 ACT01363 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 C#Cc1ccncc1 ACT01287 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 COc1ccccn1 ACT06584 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.2 COc1ccncc1 ACT01615 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 COc1cnccn1 ACT06613 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 CSc1cnccn1 ACT01756 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.2 c1cc(cnc1)C#N ACT05843 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 c1ccc(cc1)CS ACT06261 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 c1ccnc(c1)C#N ACT05842 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 c1cnccc1C#N ACT01368 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 c1cnccc1C=O ACT05935 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 c1cnccc1CO ACT05965 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.3 Cc1ccc(cc1)I ACT13438 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.3 Cc1ccc(cn1)O ACT05416 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.3 Cc1ccc(nc1)O ACT03720 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.3 Cc1cnc(cn1)C ACT06610 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.3 Cc1cnc(cn1)N ACT09845 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.3 c1cc(ccc1Br)Br ACT03271 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.3 c1cc(ccc1Br)I ACT05996 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.3 c1cc(ccc1F)Br ACT03427 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.3 c1cc(ccc1F)I ACT00292 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.3 c1cc(ccc1N)I ACT00167 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.3 c1cc(ccc1O)I ACT05464 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.3 c1cc(ncc1Br)Br ACT01379 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.3 c1cc(ncc1Br)F ACT01646 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.3 c1cc(ncc1Br)I ACT01445 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.3 c1cc(ncc1Br)N ACT01339 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.3 c1cc(ncc1Br)O ACT01650 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.3 c1cc(ncc1Cl)N ACT01437 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.3 c1cc(ncc1F)Cl ACT01499 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.3 c1cc(ncc1I)Cl ACT04468 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.3 c1cc(ncc1I)N ACT01433 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.3 c1cc(ncc1N)Br ACT05519 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.3 c1cc(ncc1N)Cl ACT05515 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.3 c1cc(ncc1N)O ACT04951 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.3 c1cc(ncc1O)Br ACT05329 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.3 c1cc(ncc1O)Cl ACT01291 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.3 c1cc(ncc1O)F ACT01454 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.3 c1cc(ncc1O)N ACT01298 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.1 CCOc1cnc(nc1)N ACT09665 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.3 C#Cc1ccc(cc1)C#C ACT10634 [0,1,0,0,0,0|1,0,2]=4 83 B10R1.3 C1=CC(=NO)C=CC1=NO ACT05403 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.3 CCc1ccc(cc1)NN ACT08278 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.3 COc1ccc(cn1)C=O ACT05370 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.3 COc1ccc(nc1)C=O ACT09131 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.3 c1cc(ccc1C#N)NN ACT07743 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.3 c1cc(ccc1CN)CO ACT09568 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 B(c1ccc(cc1)Br)(O)O ACT04758 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 B(c1ccc(cc1)F)(O)O ACT10993 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.13 B(c1ccc(cc1)N)(O)O ACT11284 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 B(c1ccc(cc1)S)(O)O ACT05122 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,1,0,0,0,0|1,1,0]=3 104 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] ACT11356 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.25 COc1c[nH]c(=O)[nH]c1=O ACT01410 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.25 COc1cnc(nc1Cl)Cl ACT01277 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.25 c1cc(c(cc1Br)Cl)C#N ACT03429 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.25 c1cc(c(cc1Br)F)C#N ACT11802 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.25 c1cc(c(cc1Br)N)C#N ACT11859 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.25 c1cc(c(cc1I)F)C#N ACT00553 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.176 Cc1cc(ccc1Br)C#N ACT11833 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.176 Cc1cc(ccc1F)C#N ACT00977 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.176 Cc1ccc(cc1Br)C#N ACT11843 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.176 c1cc(c(cc1C#N)Br)F ACT11856 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.176 c1cc(c(cc1C#N)Br)O ACT11851 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.176 c1cc(c(cc1C#N)I)N ACT11837 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.176 c1cc(c(cc1NN)Cl)Cl ACT07443 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.176 c1cc(c(cc1NN)Cl)F ACT07371 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.176 c1cc(c(cc1NN)F)F ACT00750 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 Cc1ccc(o1)C=O ACT06515 [0,0,0,0,1,0|3,0,0]=4 150 B7R0.1 CCC=CC=CC=O ACT06050 [1,0,1,0,0,0|2,0,0]=4 151 B7R1.3 Cc1cnccn1 ACT06608 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.3 Cc1cncnc1 ACT01372 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|2,0,0]=4 155 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|2,0,0]=4 156 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|2,0,0]=4 157 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|1,0,0]=3 158 B7R1.3 c1ccc(cc1)Br ACT03428 [2,0,0,0,0,0|1,0,0]=3 159 B7R1.3 c1ccc(cc1)I ACT05473 [2,0,0,0,0,0|1,0,0]=3 160 B7R1.3 c1ccc(cc1)P ACT04087 [2,0,0,0,0,0|1,0,0]=3 161 B7R1.3 c1ccnc(c1)Br ACT05539 [2,0,0,0,0,0|2,0,0]=4 162 B7R1.3 c1ccnc(c1)F ACT01456 [2,0,0,0,0,0|2,0,0]=4 163 B7R1.3 c1ccnc(c1)I ACT09780 [2,0,0,0,0,0|2,0,0]=4 164 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|2,0,0]=4 165 B7R1.3 c1ccnc(c1)O ACT08592 [2,0,0,0,0,0|1,0,0]=3 166 B7R1.3 c1ccnc(c1)S ACT05649 [2,0,0,0,0,0|1,1,0]=4 167 B7R1.3 c1cnccc1Br ACT03436 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.3 c1cnccc1Cl ACT01622 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 c1cnccc1N ACT05167 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.3 c1cnccc1O ACT05166 [2,0,0,0,0,0|1,0,0]=3 171 B7R1.3 c1cnccc1O ACT09926 [2,0,0,0,0,0|1,0,0]=3 172 B7R1.3 c1cnccc1S ACT05165 [2,0,0,0,0,0|1,1,0]=4 173 B9R1.2 C#Cc1cccc(c1)N ACT00085 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [1,1,0,0,0,0|1,0,1]=4 175 B9R1.2 COc1cc(ccn1)Br ACT01471 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.2 COc1cc(cnc1)Br ACT10406 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.2 COc1cccc(c1)Br ACT04958 [1,1,0,0,0,0|0,0,0]=2 178 B9R1.2 COc1cccc(c1)S ACT04985 [1,1,0,0,0,0|0,0,0]=2 179 B9R1.2 COc1cccc(n1)Br ACT05651 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.2 COc1cccc(n1)Cl ACT10158 [1,1,0,0,0,0|1,0,0]=3 181 B9R1.2 COc1cccc(n1)N ACT01441 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.2 COc1ccnc(c1)N ACT04461 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.2 Cc1cccc(c1)C#C ACT10255 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.2 Cc1cccc(c1)NN ACT08527 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.6 B(c1ccccc1)(O)O ACT02221 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.6 CC(=O)c1ccccn1 ACT06583 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.6 CC(=O)c1cccnc1 ACT09581 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.6 CN(C)c1ccncc1 ACT01613 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.8 C=CCc1ccccc1 ACT11557 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.8 CCOc1cnccn1 ACT06614 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.8 CNCc1ccccc1 ACT05529 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.8 CSSc1ccccc1 ACT06218 [1,1,0,0,0,0|0,1,0]=3 202 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.8 c1cnccc1CCN ACT01588 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.8 c1cnccc1CCO ACT09815 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.15 C#Cc1ccccc1F ACT10250 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.15 COc1c(cccn1)I ACT04432 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.15 COc1c(cccn1)N ACT07498 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.15 COc1c(nccn1)Cl ACT10814 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.15 COc1ccc[nH]c1=O ACT09226 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.15 COc1ccccc1Br ACT04851 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.15 CSc1c(cccn1)Br ACT04436 [1,1,0,0,0,0|1,1,0]=4 216 B9R1.15 Cc1ccccc1C#C ACT10245 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.15 Cc1ccccc1NN ACT08523 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.69 Cc1cc(c(nc1)Cl)Br ACT07353 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.69 Cc1cc(c(nc1)F)Br ACT11332 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.69 Cc1cc(ccc1N)I ACT06479 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.69 Cc1cnc(c(n1)C)C ACT06611 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.69 Cn1ccc(cc1=O)Br ACT04439 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.20 CC(=O)Nc1ccc(cc1)F ACT09591 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.20 CC(=O)Nc1ccc(cc1)O ACT06727 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.22 COC(=O)c1ccc(cc1)I ACT01140 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.22 COC(=O)c1ccc(cn1)Br ACT11225 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.22 COC(=O)c1ccc(cn1)Cl ACT11226 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.22 COC(=O)c1ccc(nc1)N ACT11746 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.22 Cc1ccc(cn1)C(=O)OC ACT02408 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.22 c1cc(ccc1C(=O)CBr)N ACT09355 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.22 c1cc(ccc1C(CO)O)Br ACT11166 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.83 CCc1ccc(nc1)CCO ACT04241 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.83 COc1ccc(cc1)CC#N ACT07150 [0,2,0,0,0,0|0,0,0]=2 268 B11R1.3 B(c1ccc(cc1)OC)(O)O ACT05293 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.3 B(c1ccc(nc1)OC)(O)O ACT01472 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [0,2,0,0,0,0|1,0,0]=3 271 B11R1.3 CC(C)c1ccc(cc1)C#C ACT09338 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.3 CC(C)c1ccc(cc1)NN ACT06841 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT00382 [0,2,0,0,0,0|0,0,0]=2 274 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT02367 [0,2,0,0,0,0|0,0,0]=2 275 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [0,2,0,0,0,0|0,0,1]=3 276 B11R1.19 CC(C)(c1ccc(cc1)Br)O ACT09221 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl ACT05655 [0,2,0,0,0,0|1,1,0]=4 278 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N ACT05662 [0,2,0,0,0,0|1,1,0]=4 279 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O ACT05254 [0,2,0,0,0,0|1,1,0]=4 280 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] ACT05685 [0,2,0,0,0,0|1,1,0]=4 281 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] ACT06887 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] ACT13388 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.166 B(c1ccc(cc1C)C)(O)O ACT11760 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.166 CC(C)c1ccc(cc1O)O ACT11045 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.166 C[C@H](c1ccc(cc1F)Br)N ACT10400 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] ACT13391 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.37 COc1ccc(cc1C=O)Br ACT11826 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.37 COc1ccc(cc1OC)O ACT11670 [0,2,0,0,0,0|1,0,0]=3 291 B11R1.277 Cc1cc(c(cc1Cl)C=O)O ACT09554 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.278 COc1ccc(c(c1I)F)F ACT10650 [0,2,0,0,0,0|1,0,0]=3 293 B11R1.280 COc1ccc(c(c1)C=O)O ACT04672 [0,2,0,0,0,0|1,0,0]=3 294 B11R1.280 COc1ccc(c(c1)OC)N ACT00098 [0,2,0,0,0,0|1,0,0]=3 295 B9R1.12 c1cc(oc1)\C=C\C=O ACT01881 [0,0,1,1,0,0|1,0,1]=4 296 B11R2.34 c1cc(ccc1C2CO2)Br ACT09536 [0,1,0,1,0,0|1,0,0]=3 297 B11R2.36 Cc1ccc2c(c1)CCN2 ACT10010 [0,1,0,1,0,0|1,0,0]=3 298 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [0,1,0,1,0,0|2,0,0]=4 299 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [0,1,0,1,0,0|2,0,0]=4 300 B11R2.36 c1cc2c(cco2)cc1Br ACT09333 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.1 CCc1ccco1 ACT06582 [1,0,0,0,1,0|2,0,0]=4 302 B7R1.1 CCc1ccsc1 ACT11601 [1,0,0,0,1,0|2,0,0]=4 303 B7R1.1 COc1cccs1 ACT11607 [1,0,0,0,1,0|1,0,0]=3 304 B7R1.1 COc1ccsc1 ACT11613 [1,0,0,0,1,0|1,0,0]=3 305 B7R1.2 Cc1cc(on1)C ACT07874 [1,0,0,0,1,0|2,0,0]=4 306 B7R1.2 Cc1ccc(o1)C ACT06577 [1,0,0,0,1,0|1,0,0]=3