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 Cn1c(cc(n1)C(=O)O)Cl DA-37618 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.58 c1c(c(oc1C(=O)Cl)Br)Br DA-21994 [0,0,0,0,0,0|1,2,0]=3 3 B10R1.58 c1c(c(oc1C(=O)O)Cl)Cl DA-21984 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.58 c1c(c(sc1C(=O)O)Br)Cl DA-37751 [0,0,0,0,0,0|0,2,0]=2 5 B10R1.58 c1c(c(sc1C(=O)O)Cl)Br DA-39853 [0,0,0,0,0,0|0,2,0]=2 6 B9R1.23 C(=O)c1nc(c(s1)Cl)Cl DA-21978 [1,0,0,0,0,0|1,1,0]=3 7 B9R1.23 c1c(oc(c1Br)Br)CO DA-21993 [1,0,0,0,0,0|0,2,1]=4 8 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.35 c1(nc(no1)Br)C(=O)O DA-24081 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 c1(nc(sn1)Cl)C(=O)O DA-37637 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 c1c([nH]c(=S)s1)C(=O)O DA-27411 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.35 c1c(c[nH]c1C(=O)N)Cl DA-39743 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.35 c1c(coc1C(=O)Cl)Br DA-39933 [1,0,0,0,0,0|1,1,0]=3 14 B9R1.35 c1c(coc1C(=O)N)Br DA-39932 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.35 c1c(coc1C(=O)O)Cl DA-39695 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.35 c1c(csc1C(=O)O)N DA-21452 [1,0,0,0,0,0|1,1,0]=3 17 B9R1.35 c1c(csc1I)C(=O)O DA-37272 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.35 c1c(nc(o1)Br)C(=O)O DA-26829 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.35 c1c(nc(o1)C(=O)O)Br DA-39914 [1,0,0,0,0,0|1,1,0]=3 20 B9R1.35 c1c(nc(s1)Cl)C(=O)Cl DA-26353 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 c1c(oc(=O)[nH]1)C(=O)O DA-27415 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.35 c1c(onc1N)C(=O)O DA-24177 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.226 COC(=O)c1cc(c(s1)Cl)Br DA-32495 [0,1,0,0,0,0|0,2,0]=3 24 B11R1.226 COC(=O)c1cc(c(s1)Cl)I DA-32331 [0,1,0,0,0,0|0,2,0]=3 25 B11R1.226 Cc1c(cc(s1)C(=O)OC)N DA-32509 [0,1,0,0,0,0|2,1,0]=4 26 B11R1.672 Cc1c(c(sc1C(=O)O)Br)Br DA-21991 [0,1,0,0,0,0|0,3,0]=4 27 B11R1.672 Cn1c(cc(c1Br)Br)C(=O)O DA-21995 [0,1,0,0,0,0|1,2,0]=4 28 B11R1.672 c1(c(c(sc1C(=O)O)Br)Br)Br DA-24785 [0,1,0,0,0,0|0,3,0]=4 29 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl DA-23359 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.21 Cc1cc(cnc1Br)C(=O)O DA-36413 [0,0,0,0,0,1|2,1,0]=4 31 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl DA-37748 [0,0,0,0,0,1|1,1,0]=3 32 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)Cl DA-37714 [0,0,0,0,0,1|2,1,0]=4 33 B11R1.21 c1c(cnc(c1F)Br)C(=O)O DA-36420 [0,0,0,0,0,1|1,2,0]=4 34 B11R1.21 c1c(cnc(c1I)N)C(=O)O DA-36578 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O DA-38008 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.21 c1c(nc(c(n1)Cl)Cl)C(=O)O DA-38261 [0,0,0,0,0,1|1,0,0]=2 37 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O DA-23797 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.74 CC(c1cc(cc(c1)Cl)Cl)O DA-31276 [0,0,0,0,0,1|2,0,1]=4 39 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C DA-30778 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)N DA-23974 [0,0,0,0,0,1|2,1,0]=4 41 B11R1.74 c1c(nc(nc1N)N)C(=O)O DA-27161 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.1 c1c(c[nH]c1C=O)I DA-39315 [2,0,0,0,0,0|1,1,0]=4 43 B8R1.1 c1c(csc1CO)Cl DA-39665 [2,0,0,0,0,0|0,1,1]=4 44 B8R1.1 c1cc(oc1CO)Br DA-37835 [2,0,0,0,0,0|0,1,1]=4 45 B8R1.1 c1cc(sc1C=O)I DA-37277 [2,0,0,0,0,0|0,2,0]=4 46 B8R1.18 c1(c(oc(=O)o1)Cl)Cl DA-21988 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.7 c1cc(oc1)C(=N)N DA-33618 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.35 CCc1c(cc(s1)C=O)Cl DA-39614 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.14 COC(=O)c1cc(no1)N DA-32732 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.14 COC(=O)c1ccc(o1)Cl DA-32329 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.14 c1cc(sc1C(=O)CCl)Cl DA-26698 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.31 c1cc(oc1CN)C(=O)O DA-38497 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.59 Cc1cc(sc1C(=O)O)I DA-37274 [1,1,0,0,0,0|0,2,0]=4 54 B10R1.59 c1c(c(oc1Cl)C(=O)O)Cl DA-24633 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.194 Cc1csc(c1Cl)C(=O)O DA-23790 [1,1,0,0,0,0|1,1,0]=4 56 B10R1.194 Cn1c(ccc1Br)C(=O)O DA-37918 [1,1,0,0,0,0|1,1,0]=4 57 B12R1.232 Cc1c(nc(c(n1)C(=O)O)N)Cl DA-24228 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.232 c1(c(nc(c(n1)Br)Cl)N)C(=O)O DA-24207 [0,1,0,0,0,1|1,1,0]=4 59 B12R1.232 c1(c(nc(c(n1)Cl)Cl)N)C(=O)N DA-24237 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.367 C=CC(=O)c1ccc(c(c1)Cl)Cl DA-31286 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.367 COC(=O)c1cc(c(nc1)Cl)I DA-42626 [0,1,0,0,0,1|1,1,0]=4 62 B12R1.367 COC(=O)c1cc(c(nc1)Cl)O DA-40584 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.893 Cc1c(c(c(cn1)C(=O)O)O)Cl DA-37513 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.893 Cc1c(ccc(c1N)C(=O)O)Cl DA-28956 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.893 Cc1ccc(c(c1Cl)Cl)C(=O)O DA-27444 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)Cl DA-43544 [0,1,0,0,0,1|1,1,0]=4 67 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)N DA-21471 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.1005 c1c(cc(c(c1Cl)Br)Cl)C(=O)O DA-39898 [0,1,0,0,0,1|1,1,0]=4 69 B12R1.1005 c1c(cc(c(c1Cl)Cl)Cl)C(=O)O DA-24829 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.1005 c1c(cc(c(c1N)N)Cl)C(=O)O DA-24776 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.1005 c1c(cc(c(c1O)Cl)Cl)C(=O)O DA-24770 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.11 COc1cc(cc(n1)C(=O)O)Cl DA-39571 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O DA-32709 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.358 c1c(cc(nc1Cl)Cl)C(=O)NN DA-27123 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.511 Cc1cc(c(c(c1)Cl)C)C(=O)O DA-23856 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.511 c1c(c(c(nc1Cl)Cl)N)C(=O)O DA-25579 [0,1,0,0,0,1|1,0,0]=3 77 B12R1.511 c1c(cc(c(c1C(=O)O)N)Cl)Br DA-42034 [0,1,0,0,0,1|1,1,0]=4 78 B12R1.511 c1c(cc(c(c1C(=O)O)N)N)Cl DA-27454 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.63 COC(=O)c1cc(c(o1)C#N)Br DA-32494 [0,2,0,0,0,0|1,1,0]=4 80 B12R1.63 COC(=O)c1cc(c(o1)C=O)Br DA-32491 [0,2,0,0,0,0|1,1,0]=4 81 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [0,0,1,1,0,0|2,0,0]=4 82 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [0,0,1,1,0,0|2,0,0]=4 83 B10R1.118 Cc1c(cc(c(=O)[nH]1)O)Cl DA-37528 [0,0,1,1,0,0|2,0,0]=4 84 B10R1.118 Cc1cc(c(cc1O)Cl)Cl DA-21980 [0,0,1,1,0,0|2,0,0]=4 85 B10R1.8 c1c(cc(nc1C=O)Cl)Br DA-23136 [1,0,0,0,0,1|1,1,0]=4 86 B10R1.54 c1cc(sc1CC(=O)O)Cl DA-37545 [1,0,0,0,0,1|0,1,0]=3 87 B10R1.54 c1cc(sc1CC(=O)O)I DA-37278 [1,0,0,0,0,1|0,2,0]=4 88 B12R1.19 Cc1cc(ccc1Cl)CC(=O)O DA-39637 [0,0,0,0,0,2|2,0,0]=4 89 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)N DA-21355 [0,0,0,0,0,2|2,0,0]=4