0 B9R1.69 Cc1c(c[nH]c(=O)n1)Br DA-37738 [0,0,0,0,0,0|1,1,2]=4 1 B9R1.69 Cc1c(cnc(n1)Br)N DA-28944 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 Cc1c(cnc(n1)Cl)Br DA-41858 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.69 Cc1c(cnc(n1)Cl)O DA-26556 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 Cc1c(cnc(n1)F)Cl DA-37566 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.69 Cc1cc(c(cn1)C)Br DA-39962 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1cc(c(cn1)O)Br DA-46642 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 Cc1cc(ncc1C)I DA-26095 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 Cc1cc(ncc1I)O DA-37268 [0,0,0,0,0,0|2,1,1]=4 9 B9R1.69 Cc1cc(ncc1O)Br DA-36427 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 Cc1cnc(cc1Br)N DA-39846 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 Cc1cnc(nc1Br)Br DA-27327 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 Cc1ncc(c(n1)Cl)Cl DA-42977 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.69 c1c(c(=O)[nH]c(n1)Cl)Br DA-37855 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.69 c1c(c(=O)[nH]c(n1)Cl)I DA-26464 [0,0,0,0,0,0|2,1,0]=3 15 B9R1.69 c1c(c([nH]c(=O)n1)N)Cl DA-36978 [0,0,0,0,0,0|0,1,0]=1 16 B9R1.69 c1c(c(c[nH]c1=O)Br)Cl DA-37753 [0,0,0,0,0,0|2,1,1]=4 17 B9R1.69 c1c(c(cnc1Br)I)N DA-21310 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.69 c1c(c(cnc1Cl)F)O DA-26470 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.69 c1c(c(nc(n1)Br)N)O DA-21296 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.69 c1c(c(nc(n1)Cl)N)O DA-21464 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.69 c1cc([nH]c(=O)c1O)Br DA-36449 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 c1cc(nc(c1F)Br)N DA-36973 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.3 c1c(ncc(n1)Br)F DA-26790 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.4 Cc1nccc(n1)I DA-39308 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.5 c1c(c(=O)[nH]cn1)N DA-37981 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.22 Cc1[nH]c(=O)c(c(n1)N)O DA-36977 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.22 Cc1c([nH]c(=O)oc1=O)C DA-21950 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.22 Cc1c(c(=O)[nH]c(n1)C)I DA-37286 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.22 Cc1c(c(=O)[nH]c(n1)Cl)Br DA-37852 [0,1,0,0,0,0|2,1,0]=4 30 B10R1.22 Cc1c(c(nc(=O)[nH]1)C)Cl DA-43370 [0,1,0,0,0,0|1,1,0]=3 31 B10R1.22 Cc1c(c(nc(n1)Cl)C)F DA-47465 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.22 Cc1c(c(nc(n1)S)O)F DA-43263 [0,1,0,0,0,0|1,1,1]=4 33 B10R1.22 Cc1c(nc([nH]c1=O)Cl)C DA-26493 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.25 CCc1cnc([nH]c1=O)Cl DA-26475 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.25 Cc1c(ccc(=O)[nH]1)OC DA-37185 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.25 Cc1cc(c(cn1)CCl)N DA-38439 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.25 c1c(c(cnc1Cl)C=O)N DA-21249 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.25 c1c(c(cnc1Cl)CO)N DA-21434 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 CNc1c(cnc(n1)Cl)Br DA-37844 [0,1,0,0,0,0|1,1,1]=4 40 B10R1.30 CNc1c(cnc(n1)Cl)Cl DA-27214 [0,1,0,0,0,0|1,1,1]=4 41 B10R1.30 CNc1c(cnc(n1)Cl)N DA-26366 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.30 CNc1cc(ncc1N)Br DA-36392 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 COc1cc(ncc1F)Cl DA-26471 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.30 COc1cc(ncc1F)N DA-37356 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.118 Cc1c(cc(c(=O)[nH]1)O)Cl DA-37528 [0,1,0,0,0,0|2,1,0]=4 46 B10R1.118 Cn1cc(c(=O)[nH]c1=O)Br DA-37916 [0,1,0,0,0,0|1,1,1]=4 47 B10R1.118 c1c(c(cc(c1Cl)O)F)N DA-21400 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.119 Cn1c(=O)c(cnc1Cl)Br DA-40224 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.119 Cn1c(=O)ccc(c1Cl)Br DA-40024 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Cl DA-24778 [0,1,0,0,0,0|2,1,0]=4 51 B10R1.119 c1cc(c(c(c1O)Cl)N)F DA-25580 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.176 c1cc(c(nc1C=O)N)Br DA-36580 [0,1,0,0,0,0|1,1,1]=4 53 B8R1.50 Cn1c(c(cn1)N)N DA-21999 [0,0,0,0,1,0|3,0,0]=4 54 B7R1.3 c1cnc[nH]c1=O DA-42222 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.3 c1cncnc1Br DA-23128 [2,0,0,0,0,0|1,0,1]=4 56 B7R1.3 c1cncnc1S DA-44516 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.1 c1cc(ncc1F)CN DA-37359 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 CCc1nccc(n1)N DA-26235 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.2 CNc1ccnc(c1)Br DA-26723 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 Cc1cc(ccn1)NC DA-41965 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 Cc1cc(ccn1)NN DA-39373 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 Cc1nccc(n1)CN DA-43181 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.2 c1cc([nH]c(=O)c1)CO DA-36752 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.2 c1cnc(=S)[nH]c1C=O DA-27412 [1,1,0,0,0,0|1,1,0]=4 65 B9R1.3 c1cnc(c(c1N)I)Br DA-21309 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.34 Cc1nc(cc(n1)N)N DA-25886 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.15 CNc1c(cncn1)Br DA-42082 [1,1,0,0,0,0|0,1,1]=4 68 B9R1.22 COC1=CC(=O)NC1=O DA-23469 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.32 Cn1c(=O)c(c([nH]c1=O)N)N DA-38269 [0,2,0,0,0,0|1,0,1]=4 70 B11R1.81 CC#Cc1cnc(=O)[nH]c1N DA-36585 [0,2,0,0,0,0|1,0,0]=3 71 B7R1.2 Cc1c[nH]c(=O)s1 DA-37141 [1,0,0,0,1,0|2,0,0]=4 72 B7R1.2 Cc1cnc([nH]1)N DA-37158 [1,0,0,0,1,0|2,0,0]=4 73 B7R1.2 c1(nc(=O)[nH]s1)N DA-38086 [1,0,0,0,1,0|2,0,0]=4 74 B7R1.2 c1c([nH]c(=O)s1)N DA-21485 [1,0,0,0,1,0|2,0,0]=4 75 B7R1.4 c1c(c(n[nH]1)Cl)N DA-25551 [1,0,0,0,1,0|2,0,0]=4 76 B7R1.4 c1c(c(n[nH]1)Cl)N DA-25552 [1,0,0,0,1,0|2,0,0]=4 77 B7R1.4 c1csc(c1N)Br DA-28938 [1,0,0,0,1,0|2,0,0]=4