0 B10R1.58 Cc1c(cc([nH]1)C(=O)O)I DA-39298 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.58 Cc1cc(nn1C)C(=O)C DA-31654 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 Cn1c(cc(n1)C(=O)O)Cl DA-37618 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.58 c1c(c(oc1C(=O)Cl)Br)Br DA-21994 [0,0,0,0,0,0|2,2,0]=4 4 B10R1.58 c1c(c(oc1C(=O)O)Cl)Cl DA-21984 [0,0,0,0,0,0|1,1,0]=2 5 B10R1.58 c1c(c(sc1C(=O)O)Br)Cl DA-37751 [0,0,0,0,0,0|1,1,0]=2 6 B10R1.58 c1c(c(sc1C(=O)O)Cl)Br DA-39853 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.23 C(=O)c1nc(c(s1)Cl)Cl DA-21978 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.23 Cc1c(sc(n1)CO)Br DA-37735 [1,0,0,0,0,0|1,1,1]=4 9 B9R1.35 CC(c1ccc(s1)Br)O DA-30878 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [1,0,0,0,0,0|0,1,0]=2 11 B9R1.35 Cn1cnc(n1)C(=O)O DA-29248 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 c1(nc(sn1)Cl)C(=O)O DA-37637 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 c1c([nH]c(=S)s1)C(=O)O DA-27411 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 c1c(c[nH]c1C(=O)N)Cl DA-39743 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.35 c1c(coc1C(=O)Cl)Br DA-39933 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.35 c1c(coc1C(=O)N)Br DA-39932 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.35 c1c(coc1C(=O)O)Cl DA-39695 [1,0,0,0,0,0|1,1,0]=3 18 B9R1.35 c1c(csc1C(=O)O)N DA-21452 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.35 c1c(csc1I)C(=O)O DA-37272 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.35 c1c(nc(o1)Br)C(=O)O DA-26829 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.35 c1c(nc(o1)C(=O)O)Br DA-39914 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.35 c1c(nc(s1)Cl)C(=O)Cl DA-26353 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 c1c(oc(=O)[nH]1)C(=O)O DA-27415 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.35 c1c(onc1N)C(=O)O DA-24177 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.35 c1c(s[nH]c1=O)C(=O)N DA-27400 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 c1c(sc(n1)C(=O)N)N DA-38032 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.48 B(c1cc(c(s1)C=O)C)(O)O DA-35301 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.48 Cn1c(cc(n1)C(=O)O)OC DA-37220 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.79 Cc1cc(sc1Br)S(=O)(=O)Cl DA-37734 [0,1,0,0,0,0|1,1,1]=4 30 B11R1.226 COC(=O)c1cc(c(s1)Cl)Br DA-32495 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.226 COC(=O)c1cc(c(s1)Cl)I DA-32331 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.226 Cc1c(cc(s1)C(=O)OC)N DA-32509 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.226 Cn1cc(cc1Br)C(=O)OC DA-32359 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.672 Cc1c(c(sc1C(=O)O)Br)Br DA-21991 [0,1,0,0,0,0|1,1,0]=3 35 B11R1.672 Cn1c(cc(c1Br)Br)C(=O)O DA-21995 [0,1,0,0,0,0|2,1,0]=4 36 B11R1.672 c1(c(c(sc1C(=O)O)Br)Br)Br DA-24785 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl DA-23359 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.21 Cc1cc(cnc1Br)C(=O)O DA-36413 [0,0,0,0,0,1|1,1,0]=3 39 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl DA-37748 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)Cl DA-37714 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.21 c1c(cnc(c1F)Br)C(=O)O DA-36420 [0,0,0,0,0,1|2,1,0]=4 42 B11R1.21 c1c(cnc(c1I)N)C(=O)O DA-36578 [0,0,0,0,0,1|2,1,0]=4 43 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O DA-38008 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.21 c1c(nc(c(n1)Cl)Cl)C(=O)O DA-38261 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O DA-23797 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C DA-30778 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)N DA-23974 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.74 c1c(nc(nc1N)N)C(=O)O DA-27161 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.80 CC(=O)Nc1cn(c(=S)s1)C DA-42152 [0,0,0,0,0,1|3,0,0]=4 50 B11R1.80 Cc1c(sc(n1)NC(=O)C)C DA-41392 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.1 C#Cc1ccc(s1)Cl DA-45377 [2,0,0,0,0,0|1,0,1]=4 52 B8R1.1 Cc1cc(sc1)OC DA-28915 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.1 Cc1ccc(s1)C=C DA-26289 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.1 Cn1ccc(c1)C=O DA-29229 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.1 c1c(c[nH]c1C=O)I DA-39315 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.1 c1c(csc1CO)Cl DA-39665 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.1 c1c(sc(n1)CO)Cl DA-37546 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.1 c1cc(sc1C=O)I DA-37277 [2,0,0,0,0,0|0,1,0]=3 59 B10R1.34 Cc1c(sc(c1Br)Br)C=O DA-21992 [1,1,0,0,0,0|1,1,0]=4 60 B10R1.35 CCc1c(cc(s1)C=O)Cl DA-39614 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.14 CCC(=O)c1cc(cs1)Br DA-31075 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.14 COC(=O)c1ccc(o1)Cl DA-32329 [1,1,0,0,0,0|0,1,0]=3 63 B10R1.14 COC(=O)c1cnc(s1)S DA-40841 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.14 Cc1ccc(s1)C(=O)CCl DA-26696 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.14 Cn1ccc(c1)C(=O)OC DA-33322 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.14 c1c(csc1C(=O)CBr)Br DA-26962 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.14 c1cc(sc1C(=O)CCl)Cl DA-26698 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.31 c1c(onc1C(=O)O)CBr DA-40156 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.31 c1cc(oc1CN)C(=O)O DA-38497 [1,1,0,0,0,0|1,1,0]=4 70 B10R1.55 Cc1cc(sc1)S(=O)(=O)Cl DA-39131 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.59 CC(=O)c1c(cc(s1)Br)Cl DA-31737 [1,1,0,0,0,0|1,1,0]=4 72 B10R1.59 Cc1cc(sc1C(=O)O)I DA-37274 [1,1,0,0,0,0|0,1,0]=3 73 B10R1.59 c1c(c(oc1Cl)C(=O)O)Cl DA-24633 [1,1,0,0,0,0|0,1,0]=3 74 B10R1.194 Cc1csc(c1Cl)C(=O)O DA-23790 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.194 Cn1c(ccc1Br)C(=O)O DA-37918 [1,1,0,0,0,0|1,1,0]=4 76 B12R1.48 COc1ccc(nc1Cl)C(=O)Cl DA-36269 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.48 CSc1ccc(cc1Br)C(=O)O DA-24031 [0,1,0,0,0,1|1,1,0]=4 78 B12R1.48 Cc1cc(ccc1CO)C(=O)O DA-22190 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.48 Cc1cc(cnc1OC)C(=O)O DA-36064 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.48 c1cc(c(cc1C(=O)O)F)CBr DA-22298 [0,1,0,0,0,1|1,1,0]=4 81 B12R1.56 CCc1cc(ccc1Br)C(=O)O DA-39881 [0,1,0,0,0,1|1,1,0]=4 82 B12R1.56 COc1cc(ccc1I)C(=O)O DA-39303 [0,1,0,0,0,1|1,1,0]=4 83 B12R1.56 Cc1ccc(cc1C#C)C(=O)O DA-23620 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.232 Cc1c(nc(c(n1)C(=O)O)N)Cl DA-24228 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.232 Cc1cc(c(cc1I)C(=O)O)Br DA-26785 [0,1,0,0,0,1|1,1,0]=4 86 B12R1.367 COC(=O)c1cc(c(nc1)Cl)I DA-42626 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.367 COC(=O)c1cc(c(nc1)Cl)O DA-40584 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.367 Cc1c(cc(cn1)C(=O)OC)Br DA-32347 [0,1,0,0,0,1|1,1,0]=4 89 B12R1.367 Cc1c(cc(cn1)C(=O)OC)N DA-32365 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.367 Cc1cc(cnc1C)C(=O)OC DA-32386 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.367 Cc1cc(ncc1C)C(=O)OC DA-32533 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.893 Cc1c(c(c(cn1)C(=O)O)O)Cl DA-37513 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.893 Cc1c(ccc(c1Br)C(=O)O)F DA-26847 [0,1,0,0,0,1|1,1,0]=4 94 B12R1.893 Cc1c(ccc(c1Cl)C(=O)C)Cl DA-31538 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.893 Cc1c(ccc(c1N)C(=O)O)Cl DA-28956 [0,1,0,0,0,1|1,0,0]=3 96 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)Cl DA-27443 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)O DA-27444 [0,1,0,0,0,1|1,0,0]=3 98 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)Cl DA-43544 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)N DA-21471 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.1005 Cc1cc(cc(c1N)N)C(=O)O DA-24775 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.1005 c1c(cc(c(c1Cl)Br)Cl)C(=O)O DA-39898 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O DA-24829 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.1005 c1c(cc(c(c1N)N)Cl)C(=O)O DA-24776 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.1005 c1c(cc(c(c1O)Cl)Cl)C(=O)O DA-24770 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.11 COc1cc(cc(n1)C(=O)O)Cl DA-39571 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.11 Cc1cc(nc(c1)OC)C(=O)O DA-36071 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O DA-32709 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.511 Cc1cc(c(c(c1)C(=O)O)Br)C DA-41398 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.511 Cc1cc(c(c(c1)Cl)C)C(=O)O DA-23856 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.511 Cc1cc(c(c(c1)N)C)C(=O)O DA-24322 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.511 Cc1cc(c(c(c1)N)N)C(=O)O DA-27453 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.511 c1c(c(c(nc1Cl)Cl)N)C(=O)O DA-25579 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Br DA-42034 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.511 c1c(cc(c(c1C(=O)O)N)N)Cl DA-27454 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.63 COC(=O)c1cc(c(s1)C#N)Br DA-32493 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.111 Cc1c(sc(n1)C(=O)Cl)C(=O)Cl DA-39142 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.111 Cc1cc(sc1C(=O)O)C(=O)O DA-23381 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.274 CCCc1c(cc(s1)C(=O)O)Br DA-39840 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.274 Cc1c(sc(n1)C(=O)O)CCO DA-38775 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.314 CCOC(=O)c1nc(c(s1)Br)C DA-38918 [0,2,0,0,0,0|1,1,0]=4 121 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [0,0,1,1,0,0|2,0,0]=4 122 B10R1.118 Cc1cc(c(cc1Cl)O)Cl DA-27228 [0,0,1,1,0,0|2,0,0]=4 123 B12R2.252 c1c2c(cn[nH]2)sc1C(=O)O DA-29322 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.252 c1c2c(sc1C(=O)O)CCC2 DA-38251 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.252 c1c2cscc2sc1C(=O)O DA-44220 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.252 c1coc2c1sc(c2)C(=O)O DA-45936 [0,1,0,1,0,0|1,0,1]=4 127 B10R1.8 c1c(cc(nc1C=O)Cl)Br DA-23136 [1,0,0,0,0,1|2,0,0]=4 128 B10R1.54 c1cc(sc1CC(=O)O)Cl DA-37545 [1,0,0,0,0,1|0,0,0]=2 129 B10R1.54 c1cc(sc1CC(=O)O)I DA-37278 [1,0,0,0,0,1|0,1,0]=3 130 B12R1.19 Cc1cc(ccc1Cl)CC(=O)O DA-39637 [0,0,0,0,0,2|1,0,0]=3 131 B12R1.19 Cc1cc(ccc1N)CC(=O)O DA-21426 [0,0,0,0,0,2|2,0,0]=4 132 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)N DA-21355 [0,0,0,0,0,2|2,0,0]=4