0 B9R1.69 Cc1c(cc(cn1)N)F DA-37353 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 Cc1cc(c(cn1)C)Br DA-39962 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 Cc1cc(c(cn1)O)Br DA-46642 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1cc(c(nc1)I)O DA-26090 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.69 Cc1cc(cnc1N)O DA-36577 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 Cc1ccc(c(n1)Br)Cl DA-26903 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1ccc(nc1Br)C DA-42573 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 c1c(c(cnc1Cl)F)O DA-26470 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 c1cc(c(cc1Br)I)Cl DA-21428 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 c1cc(c(cc1Cl)Br)Br DA-30506 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 c1cc(c(cc1I)Br)O DA-26839 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 c1cc(c(cc1N)O)Br DA-38045 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 c1cc(ccc1O)O DA-33570 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.4 Cc1cc(cnn1)Cl DA-41313 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.4 c1c(cnnc1Cl)O DA-36275 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.4 c1cc(cc(c1)I)I DA-30260 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.5 c1c(c(=O)[nH]cn1)N DA-37981 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.5 c1c[nH]cc(c1=O)N DA-24303 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.5 c1cocc(c1=O)O DA-23558 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.22 Cc1cc(c(=O)n(c1)C)N DA-24339 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.22 Cn1cc(cc(c1=O)Cl)Br DA-37783 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.22 Cn1cc(cc(c1=O)Cl)N DA-38020 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.22 Cn1cc(cc(c1=O)N)Cl DA-24231 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.25 Cc1cc(ccc1C=O)I DA-39309 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.25 Cc1cc(cnc1C=O)Cl DA-37524 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.25 c1c(cnc(c1O)C#N)Cl DA-37529 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.25 c1cc(c(cc1Cl)O)CN DA-27914 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.30 C#Cc1cc(c[nH]c1=O)Br DA-37778 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.30 COc1cc(cnc1N)Cl DA-46806 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.30 Cc1cc(c(nc1)Br)C#N DA-26773 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.30 Cc1ccc(c(c1)CO)Br DA-26775 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.30 Cc1ccc(c(c1)NC)N DA-46240 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.30 Cc1ccc(c(n1)OC)Cl DA-23848 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.30 Cc1ccc(cc1CO)Br DA-37813 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.30 Cc1ccc(cc1CO)I DA-46553 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.30 c1c(cnc(c1CO)N)Br DA-32148 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.30 c1cc(c(cc1Cl)NO)Cl DA-27216 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.30 c1cc(c(cc1I)CO)Br DA-26783 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.30 c1cc(c(cc1I)CO)Cl DA-26462 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 c1cc(c(cc1I)CO)F DA-42442 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.30 c1cc(c(cc1N)CO)Br DA-38046 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.30 c1cc(c(cc1N)CO)O DA-38038 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.30 c1cc(c(cc1O)CO)Br DA-28941 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.118 Cc1c(cc(c(=O)[nH]1)O)Cl DA-37528 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.118 Cc1cc(c(cc1Br)Br)C DA-41960 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.118 Cc1cc(c(cc1Br)Cl)O DA-39948 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.118 Cc1cc(c(cc1Br)O)F DA-37836 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.118 Cc1cc(c(cc1C)Cl)O DA-26591 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.118 Cc1cc(c(cc1C)I)N DA-26097 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.118 Cc1cc(c(cc1Cl)Cl)O DA-27302 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.118 Cc1cc(c(cc1Cl)O)Cl DA-27228 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.118 Cc1cc(c(cc1O)C)O DA-27190 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.118 Cc1cc(c(cc1O)Cl)Br DA-39855 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.118 Cc1cc(c(cc1O)Cl)Cl DA-21980 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.118 Cn1cc(c(=O)[nH]c1=O)Br DA-37916 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.118 c1c(c(cc(c1Cl)O)F)N DA-21400 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.118 c1c(c(cc(c1F)Br)O)O DA-39849 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.118 c1c(c(cc(c1F)I)Br)O DA-26792 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.118 c1c(c(cc(c1I)O)I)O DA-27200 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.118 c1c(c(cc(c1O)Cl)Br)N DA-38015 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.118 c1c(c(nc(c1O)Br)Br)N DA-38053 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.119 Cc1c(c[nH]c(=O)c1N)Cl DA-24229 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.119 Cc1c(ccc(c1O)Cl)O DA-39680 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.119 Cc1ccc(c(c1Cl)Cl)C DA-27450 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.119 Cc1ccc(c(c1F)N)Br DA-36486 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.119 Cc1ccc(c(c1N)C)Br DA-24068 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.119 c1cc(c(c(c1I)O)O)I DA-24584 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.119 c1cc(c(c(c1N)O)Cl)Cl DA-36611 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.176 CCc1cc(c(=O)[nH]n1)O DA-36171 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.176 CCc1ccc(c(c1)Br)O DA-41824 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.176 CNc1ccc(c(c1)Cl)Cl DA-24756 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.176 Cc1c(cc(cn1)CN)F DA-31874 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.176 Cc1c(cc(cn1)CO)Br DA-31884 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.176 Cc1c(cc(cn1)CO)Cl DA-37464 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.176 Cc1cc(ccc1F)CO DA-39397 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.176 Cc1cc(ccc1I)CO DA-39302 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.176 Cc1cc(ccc1O)CN DA-22359 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.176 Cc1cc(cnc1C)CO DA-38237 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.176 Cc1ccc(cc1Br)CBr DA-26884 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.176 Cc1ccc(cc1Br)CN DA-24007 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.176 Cc1ccc(cc1Br)NC DA-23911 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.176 Cc1ccc(cc1I)CBr DA-41879 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.176 Cc1ccc(cc1N)CN DA-24277 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.176 c1c(cnc(c1O)Cl)C#N DA-36271 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.176 c1cc(c(cc1C#N)O)Cl DA-39641 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.176 c1cc(c(cc1C#N)O)N DA-21406 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.176 c1cc(c(cc1CBr)I)F DA-43006 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.176 c1cc(c(cc1CN)Br)Cl DA-32045 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.176 c1cc(c(cc1CN)Br)O DA-22362 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.176 c1cc(c(cc1CN)F)Br DA-39878 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.176 c1cc(c(cc1CN)F)O DA-22360 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.176 c1cc(c(cc1CN)F)O DA-22361 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.176 c1cc(c(cc1CN)O)Cl DA-38498 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.176 c1cc(c(cc1CO)Br)I DA-24012 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.176 c1cc(c(cc1CO)Cl)I DA-23795 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.176 c1cc(c(cc1CO)F)O DA-40006 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.50 Cc1csc(c1Br)C DA-25567 [0,0,0,0,1,0|3,0,0]=4 97 B8R1.50 c1c(c(c([nH]1)Br)Br)Br DA-27460 [0,0,0,0,1,0|3,0,0]=4 98 B7R0.5 CCNC(=O)C(=O)O DA-27699 [1,0,1,0,0,0|1,0,1]=4 99 B7R1.3 c1cnc[nH]c1=O DA-42222 [2,0,0,0,0,0|1,0,0]=3 100 B9R1.1 c1c(ncc(=O)[nH]1)C=O DA-21965 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.1 c1cc(=O)[nH]nc1CBr DA-36777 [1,1,0,0,0,0|1,0,0]=3 102 B9R1.1 c1cc(ccc1CCl)O DA-22267 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.2 CCc1cc(cnc1)N DA-37387 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.2 Cc1cc(cnc1)NN DA-23579 [1,1,0,0,0,0|1,0,1]=4 105 B9R1.2 c1c(cncc1Cl)CBr DA-24964 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.2 c1c(cncc1Cl)CCl DA-23779 [1,1,0,0,0,0|1,0,1]=4 107 B9R1.2 c1cc(cc(c1)Cl)CI DA-29565 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.3 Cc1cccc(c1C)Cl DA-31717 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.3 c1c(c(c(cn1)O)N)N DA-21998 [1,1,0,0,0,0|1,0,1]=4 110 B9R1.3 c1cc(c(c(c1)I)Br)O DA-28948 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.3 c1cc(c(c(c1)I)O)O DA-23534 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.3 c1cc(c(c(c1)O)O)N DA-24343 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.3 c1cc(c(c(c1)O)O)O DA-40956 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.34 c1c(cc(cc1Br)I)O DA-25564 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.34 c1c(cc(cc1I)I)O DA-24614 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.34 c1c(cc(cc1O)Cl)N DA-24227 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.15 c1cc(c(=O)[nH]c1)CO DA-42463 [1,1,0,0,0,0|0,0,0]=2 118 B9R1.22 COC1=CC(=O)NC1=O DA-23469 [0,1,0,0,1,0|1,0,0]=3 119 B9R1.22 Cc1[nH]c(c(n1)CO)Cl DA-37559 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.132 Cc1coc(c1C)C=O DA-24677 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.8 CCn1cc(cc(c1=O)Cl)N DA-38021 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O DA-43201 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.32 Cc1c(cc(c(=O)n1C)Br)Br DA-24650 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.32 Cc1cc(c(c(c1Br)C)Br)O DA-27330 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.32 Cc1cc(c(c(c1Cl)C)Br)O DA-26858 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.32 Cc1cc(c(c(c1Cl)C)I)O DA-39691 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.464 Cc1cc(c(c(c1)O)CN)C DA-27926 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.37 Cc1ccc(c(c1)CO)CO DA-39174 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.166 Cc1cc(c(nc1)[N+](=O)[O-])Cl DA-23764 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.166 Cc1ccc(c(c1)Br)[N+](=O)[O-] DA-26836 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.277 Cc1cc(c(cc1Br)C=O)O DA-37832 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.277 Cc1cc(c(cc1Br)O)OC DA-37823 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.277 Cc1cc(c(cc1Br)OC)O DA-39926 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.277 Cc1cc(c(cc1C)Cl)OC DA-29570 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.278 Cc1ccc(c(c1O)O)C=O DA-27357 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.279 COc1ccc(c(c1)Cl)C=O DA-42133 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.72 Cc1ccc(c(c1C#N)O)N DA-24312 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.167 Cc1cc(c(=O)[nH]c1)N(C)C DA-24917 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O DA-26774 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.182 COCc1cc(c[nH]c1=O)Br DA-37791 [0,2,0,0,0,0|1,0,0]=3 142 B11R1.182 Cc1ccc(c(c1)CCO)C DA-27182 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.280 COc1cc(ccc1Br)CBr DA-29640 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.280 COc1cc(ccc1Cl)CN DA-31949 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.21 CC(=O)c1ccc(c(c1)O)Br DA-31072 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.192 CCCc1cc(c(=O)[nH]n1)O DA-39334 [0,2,0,0,0,0|1,0,0]=3 147 B9R1.11 c1cnoc1C(=O)NN DA-37231 [0,0,1,1,0,0|2,0,0]=4 148 B7R1.2 Cc1c[nH]c(=O)s1 DA-37141 [1,0,0,0,1,0|1,0,0]=3 149 B7R1.2 Cc1cc(cs1)N DA-37078 [1,0,0,0,1,0|2,0,0]=4 150 B7R1.2 Cc1cc(sc1)I DA-26092 [1,0,0,0,1,0|2,0,0]=4 151 B7R1.2 Cc1ccc(s1)O DA-37079 [1,0,0,0,1,0|1,0,1]=4 152 B7R1.2 Cc1cnc([nH]1)N DA-37158 [1,0,0,0,1,0|2,0,0]=4 153 B7R1.2 Cn1ccc(c1)N DA-29233 [1,0,0,0,1,0|2,0,0]=4 154 B7R1.2 c1c([nH]c(=O)s1)N DA-21485 [1,0,0,0,1,0|2,0,0]=4