0 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 C=C(C)c1csc(n1)N 271570a_100000694244_100011998049 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 Cn1cc(nn1)C(=O)N 274090a_200000210301_100011470575 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 Oc1cc(cs1)C(F)F 271570a_203496583355_100010751702 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.35 [13CH3]n1cc(nn1)C(=O)N 274090a_200025704644_100011470575 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,0,0|2,1,0]=4 58 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.14 COC(=O)c1cn(nn1)C 274090a_200000210301_100000211194 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.14 COC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000211194 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,0,0|2,1,0]=4 75 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.31 C=C(C)c1csc(c1)C#N 271570a_100000694244_100000742465 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.31 C=C(C)c1csc(c1)C=O 271570a_100000694244_100000211722 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.31 C=C(C)c1csc(c1)CC 271570a_100000694244_100009846239 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.31 C=C(C)c1csc(c1)CO 271570a_100000694244_100000238369 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.31 C=C(C)c1csc(c1)SC 271570a_100000694244_200010256830 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.31 C=C(C)c1csc(n1)CO 271570a_100000694244_100012000107 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.31 C=C(C)c1csc(n1)OC 271570a_100000694244_100000727839 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.31 C=C(C)c1csc(n1)SC 271570a_100000694244_100000732701 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.31 C=Cc1cc(cs1)C(=O)N 271570a_100011290941_100000747962 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.31 C=Cc1nc(cs1)C(=O)N 271570a_100011290941_100010247141 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,1,0,0,0,0|1,0,0]=2 98 B10R1.31 CNc1nc(co1)C(=O)N 27a_100102657272_100009981048 [0,1,0,0,0,0|2,1,0]=4 99 B10R1.31 CNc1nc(cs1)C(=O)N 27a_100102657272_100010247141 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.31 CNc1ncc(s1)C(=O)N 27a_100102657272_100010220624 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.31 CSc1cc(cs1)C(F)F 62a_100010751702_200000210301 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.31 CSc1cc(cs1)C(F)F 62a_200000210301_100010751702 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.31 CSc1cc(on1)C(=O)N 62a_100010589868_200000210301 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.31 CSc1cc(on1)C(=O)N 62a_200000210301_100010589868 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.31 CSc1nc(co1)C(=O)N 62a_100009981048_200000210301 [0,1,0,0,0,0|2,1,0]=4 124 B10R1.31 CSc1nc(co1)C(=O)N 62a_200000210301_100009981048 [0,1,0,0,0,0|2,1,0]=4 125 B10R1.31 CSc1nc(cs1)C(=O)N 62a_100010247141_200000210301 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.31 CSc1nc(cs1)C(=O)N 62a_200000210301_100010247141 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.31 CSc1ncc(s1)C(=O)N 62a_100010220624_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.31 CSc1ncc(s1)C(=O)N 62a_200000210301_100010220624 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.31 [13CH3]Sc1cc(cs1)C(F)F 62a_100010751702_200025704644 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.31 [13CH3]Sc1cc(cs1)C(F)F 62a_200025704644_100010751702 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.31 [13CH3]Sc1cc(on1)C(=O)N 62a_100010589868_200025704644 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.31 [13CH3]Sc1cc(on1)C(=O)N 62a_200025704644_100010589868 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_100009981048_200025704644 [0,1,0,0,0,0|2,1,0]=4 145 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_200025704644_100009981048 [0,1,0,0,0,0|2,1,0]=4 146 B10R1.31 [13CH3]Sc1nc(cs1)C(=O)N 62a_100010247141_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.31 [13CH3]Sc1nc(cs1)C(=O)N 62a_200025704644_100010247141 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_100010220624_200025704644 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_200025704644_100010220624 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.59 C=C(C)c1cc(sc1C)C 271570a_100000694244_100000688054 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.59 C=C(C)c1cc(sc1Cl)Cl 271570a_100000694244_100010244177 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.59 C=C(C)c1nc(sc1C)C 271570a_100000694244_100010270876 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.194 C=C(C)c1csc(c1C)C 271570a_100000694244_100009820295 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,1,0,0,0|2,0,1]=4 159 B10R2.14 Cc1cc(cs1)C2CC2 271570a_100011220607_100000759034 [0,0,0,1,0,0|2,0,1]=4 160 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,1|2,0,0]=3 167 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,0,1|3,0,0]=4 171 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,0,1|3,0,0]=4 174 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,1|2,0,0]=3 177 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.54 CC(=Cc1csc(c1)C)C 271570a_100102525489_100000759034 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.54 CC(=Cc1csc(n1)C)C 271570a_100102525489_100011934587 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,0,0,0,0,1|2,1,0]=4 191 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.54 CC(=O)Cc1cnn(c1)C 1458a_100000070787_100000744441 [0,0,0,0,0,1|3,0,0]=4 193 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.54 Cc1cc(cs1)CN(C)C 270004a_100102631434_100011998532 [0,0,0,0,0,1|3,0,0]=4 197 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000210206_100000759034 [0,0,0,0,0,1|2,0,1]=4 198 B10R1.54 Cc1cc(cs1)SC(C)C 62a_100000759034_100000210206 [0,0,0,0,0,1|2,0,1]=4 199 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,0,0,0,0,1|3,0,0]=4 200 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,0,0,1|3,0,0]=4 202 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,0,0,0,0,1|3,0,0]=4 203 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,1|2,0,0]=3 209 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,0,0,0,0,1|3,0,0]=4 223 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,1|3,0,0]=4 228 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|2,0,0]=4 229 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|2,0,0]=4 230 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [2,0,0,0,0,0|1,1,0]=4 231 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [2,0,0,0,0,0|1,0,0]=3 232 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [2,0,0,0,0,0|2,0,0]=4 233 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [2,0,0,0,0,0|2,0,0]=4 234 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [2,0,0,0,0,0|2,0,0]=4 235 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [2,0,0,0,0,0|2,0,0]=4 239 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [2,0,0,0,0,0|2,0,0]=4 240 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [2,0,0,0,0,0|2,0,0]=4 241 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [2,0,0,0,0,0|2,0,0]=4 242 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [2,0,0,0,0,0|2,0,0]=4 243 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [2,0,0,0,0,0|0,0,0]=2 244 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [2,0,0,0,0,0|2,0,0]=4 245 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [2,0,0,0,0,0|2,0,0]=4 246 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [2,0,0,0,0,0|2,0,0]=4 247 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [2,0,0,0,0,0|1,0,1]=4 248 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [2,0,0,0,0,0|2,0,0]=4 249 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [2,0,0,0,0,0|1,0,0]=3 250 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [2,0,0,0,0,0|2,0,0]=4 251 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,1,0,0,0|0,0,2]=4 254 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,1,0,0,0|0,0,2]=4 255 B9R1.7 C=C=Cc1csc(c1)C 271570a_100015277604_100000759034 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.7 C=C=Cc1csc(n1)C 271570a_100015277604_100011934587 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [1,1,0,0,0,0|1,0,1]=4 260 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [1,1,0,0,0,0|1,0,1]=4 262 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.7 COCc1csc(c1)Cl 34a_100009863405_200000210301 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.7 COCc1csc(c1)Cl 7a_100009863405_200000210301 [1,1,0,0,0,0|1,0,1]=4 265 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [1,1,0,0,0,0|1,0,1]=4 266 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.7 Cc1cc(cs1)SCF 62a_100000759034_100015361967 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.7 Cc1cc(cs1)SCF 62a_100015361967_100000759034 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [1,1,0,0,0,0|1,0,1]=4 270 B9R1.7 [13CH3]OCc1csc(c1)Cl 34a_100009863405_200025704644 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.7 [13CH3]OCc1csc(c1)Cl 7a_100009863405_200025704644 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [1,1,0,0,0,0|1,0,1]=4 273 B9R1.21 C=Cc1cc(cs1)C=O 271570a_100011290941_100000737087 [1,1,0,0,0,0|0,0,1]=3 274 B9R1.21 C=Cc1csc(c1)C#N 271570a_100011290941_100000742465 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.21 C=Cc1csc(c1)C=O 271570a_100011290941_100000211722 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.21 C=Cc1csc(c1)CO 271570a_100011290941_100000238369 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.21 C=Cc1csc(c1)SC 271570a_100011290941_200010256830 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.21 C=Cc1csc(n1)CO 271570a_100011290941_100012000107 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.21 C=Cc1csc(n1)OC 271570a_100011290941_100000727839 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.21 C=Cc1csc(n1)SC 271570a_100011290941_100000732701 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.21 C=Cc1nc(cs1)C=O 271570a_100011290941_100009816748 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,1,0,0,0,0|0,0,0]=2 293 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,1,0,0,0,0|0,0,0]=2 294 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.21 CSc1nc(cs1)C=O 62a_100009816748_200000210301 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.21 CSc1nc(cs1)C=O 62a_200000210301_100009816748 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.21 CSc1nc(cs1)CO 62a_100009816749_200000210301 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.21 CSc1nc(cs1)CO 62a_200000210301_100009816749 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,1,0,0,0,0|0,0,0]=2 323 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,1,0,0,0,0|0,0,0]=2 324 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_100009816748_200025704644 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.21 [13CH3]Sc1nc(cs1)C=O 62a_200025704644_100009816748 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_100009816749_200025704644 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_200025704644_100009816749 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.22 C=Cc1cc(sc1Cl)Cl 271570a_100011290941_100010244177 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.22 Cc1nc(c(s1)O)CO 271570a_203496583355_100011103066 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.132 CSc1csc(c1C)C 62a_100009820295_200000210301 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.132 CSc1csc(c1C)C 62a_200000210301_100009820295 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_100009820295_200025704644 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.132 Cc1scc(c1C)S[13CH3] 62a_200025704644_100009820295 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.39 C#CC(=O)Cc1csc(n1)C 1458a_100000211873_100015186478 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.39 C=CC(=O)Cc1csc(n1)C 1458a_100000185746_100015186478 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210202 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000210414_100015186478 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.39 CNC(=O)Cc1csc(n1)C 11a_106832991635_100000184407 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.39 CNC(=O)Cc1csc(n1)C 1626a_100102657272_100000184407 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.39 CNC(=O)Cc1csc(n1)C 240690a_100102657272_100000184407 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.39 CNC(=O)Cc1csc(n1)C 527a_100102657272_100000184407 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.39 COC(=O)Cc1csc(n1)O 271570a_203496583355_100010153560 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.39 COC(C)Sc1csc(c1)C 62a_100000759034_100009879195 [0,1,0,0,0,1|1,0,1]=4 482 B11R1.39 COC(C)Sc1csc(c1)C 62a_100009879195_100000759034 [0,1,0,0,0,1|1,0,1]=4 483 B11R1.39 Cc1cc(cs1)SC(C)CO 62a_100012180447_100000759034 [0,1,0,0,0,1|1,0,1]=4 484 B11R1.39 Cc1cc(cs1)S[C@H](C)CO 62a_100000759034_100016084084 [0,1,0,0,0,1|1,0,1]=4 485 B11R1.39 Cc1cc(cs1)S[C@H](C)CO 62a_100016084084_100000759034 [0,1,0,0,0,1|1,0,1]=4 486 B11R1.39 Cc1cc(no1)CC(=O)CO 1458a_100000210174_100000199038 [0,1,0,0,0,1|1,1,0]=4 487 B11R1.39 Cc1cc(on1)CC(=O)CO 1458a_100000210174_100000707947 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.39 Cc1nc(cs1)CC(=O)CF 1458a_100000184407_100015361967 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.39 Cc1nc(cs1)CC(=O)CO 1458a_100000210174_100015186478 [0,1,0,0,0,1|1,0,0]=3 490 B11R1.39 Cc1ncc(s1)CC(=O)CO 1458a_100000210174_100020635045 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.39 Cn1cc(cn1)CC(=O)CO 1458a_100000210174_100000744441 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.39 O=C(CO)Cc1csc(n1)Cl 1458a_100000210174_100000024076 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.43 CC(=Cc1csc(c1)CO)C 271570a_100102525489_100000238369 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.43 CC(=O)Cc1csc(c1)C=O 1458a_100000070787_100000070824 [0,1,0,0,0,1|1,0,1]=4 495 B11R1.43 CCc1cc(cs1)C=C(C)C 271570a_100102525489_100009846239 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.43 CCc1nc(cs1)CC(=O)C 1458a_100000070787_100020603300 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.43 CSc1cc(cs1)C=C(C)C 271570a_100102525489_200010256830 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.313 CC(=Cc1csc(c1C)C)C 271570a_100102525489_100009820295 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.314 CC(=C(C)c1csc(c1)C)C 271570a_200000049429_100000759034 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.645 CC(=Cc1cc(sc1C)C)C 271570a_100102525489_100000688054 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.645 CC(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200000210301 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.645 CC(=O)Cc1nc(sc1C)C 1458a_100000040699_200000210301 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.645 Cc1nc(c(s1)C)CC(=O)[13CH3] 1458a_100000040699_200025704644 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.645 [13CH3]C(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200025704644 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.266 CNc1cc(cnn1)C(=O)N 27a_100102657272_100015785749 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.266 CNc1cc(ncn1)C(=O)N 27a_100102657272_100000725265 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_100015785749_200000210301 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_200000210301_100015785749 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_100000725265_200000210301 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_200000210301_100000725265 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_100015785749_200025704644 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_200025704644_100015785749 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_100000725265_200025704644 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_200025704644_100000725265 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.15 CCOC(=O)c1csc(c1)O 271570a_203496583355_100011228516 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.15 CCOC(=O)c1csc(n1)O 271570a_203496583355_100009814092 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.44 C=Cc1cc(c[nH]1)C(=O)OC 271570a_100011290941_100009840242 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.44 C=Cc1cc(cs1)C(=O)OC 271570a_100011290941_100000692058 [0,2,0,0,0,0|0,0,1]=3 627 B11R1.44 C=Cc1nc(cs1)C(=O)OC 271570a_100011290941_100009816811 [0,2,0,0,0,0|1,0,1]=4 628 B11R1.44 CNC(=O)c1csc(n1)NC 27a_100102657272_100010260535 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.44 CNC(=O)c1csc(n1)SC 62a_100010260535_200000210301 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.44 CNC(=O)c1csc(n1)SC 62a_200000210301_100010260535 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.44 CNC(=O)c1csc(n1)S[13CH3] 62a_100010260535_200025704644 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.44 CNC(=O)c1csc(n1)S[13CH3] 62a_200025704644_100010260535 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.44 CNc1nc(co1)C(=O)OC 27a_100102657272_100010235569 [0,2,0,0,0,0|1,1,0]=4 634 B11R1.44 CNc1ncc(s1)C(=O)OC 27a_100102657272_100000738003 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,2,0,0,0,0|1,0,0]=3 639 B11R1.44 COC(=O)c1cc([nH]n1)SC 62a_100010760819_200000210301 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.44 COC(=O)c1cc([nH]n1)SC 62a_200000210301_100010760819 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.44 COC(=O)c1cc([nH]n1)S[13CH3] 62a_100010760819_200025704644 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.44 COC(=O)c1cc([nH]n1)S[13CH3] 62a_200025704644_100010760819 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.44 COC(=O)c1cc(no1)SC 62a_100009817109_200000210301 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.44 COC(=O)c1cc(no1)SC 62a_200000210301_100009817109 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_100009817109_200025704644 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_200025704644_100009817109 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.44 COC(=O)c1cnc([nH]1)SC 62a_106744473586_200000210301 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.44 COC(=O)c1cnc([nH]1)SC 62a_200000210301_106744473586 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.44 COC(=O)c1cnc([nH]1)S[13CH3] 62a_106744473586_200025704644 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.44 COC(=O)c1cnc([nH]1)S[13CH3] 62a_200025704644_106744473586 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.44 COC(=O)c1cnc(s1)SC 62a_100000738003_200000210301 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.44 COC(=O)c1cnc(s1)SC 62a_200000210301_100000738003 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.44 COC(=O)c1cnc(s1)S[13CH3] 62a_100000738003_200025704644 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.44 COC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_100000738003 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.44 COC(=O)c1coc(n1)SC 62a_100010235569_200000210301 [0,2,0,0,0,0|1,1,0]=4 672 B11R1.44 COC(=O)c1coc(n1)SC 62a_200000210301_100010235569 [0,2,0,0,0,0|1,1,0]=4 673 B11R1.44 COC(=O)c1coc(n1)S[13CH3] 62a_100010235569_200025704644 [0,2,0,0,0,0|1,1,0]=4 674 B11R1.44 COC(=O)c1coc(n1)S[13CH3] 62a_200025704644_100010235569 [0,2,0,0,0,0|1,1,0]=4 675 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,2,0,0,0,0|0,0,0]=2 676 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,2,0,0,0,0|0,0,0]=2 677 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,2,0,0,0,0|0,0,0]=2 678 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,2,0,0,0,0|0,0,0]=2 679 B11R1.44 COC(=O)c1csc(n1)SC 62a_100009816811_200000210301 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.44 COC(=O)c1csc(n1)SC 62a_200000210301_100009816811 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.44 COC(=O)c1csc(n1)S[13CH3] 62a_100009816811_200025704644 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.44 COC(=O)c1csc(n1)S[13CH3] 62a_200025704644_100009816811 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.225 COC(=O)c1cc(sc1C)O 271570a_203496583355_100010187159 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,2,0,0,0,0|0,0,0]=2 685 B11R1.225 COC(=O)c1nc(sc1C)O 271570a_203496583355_100000719214 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.225 COC(=O)c1nc(sc1O)C 271570a_203496583355_100000730370 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.865 COC(=O)c1noc(c1O)C 271570a_203496583355_100010255069 [0,2,0,0,0,0|1,1,0]=4 690 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.50 C=C(C)c1cc(sc1C)CO 271570a_100000694244_100013897464 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.124 C=C(C)c1csc(c1)CC#N 271570a_100000694244_100000725765 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.124 C=C(C)c1csc(c1)CNC 271570a_100000694244_100000207611 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.124 C=C(C)c1csc(c1)COC 271570a_100000694244_100011542528 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.124 C=C=Cc1cc(cs1)C(=O)C 271570a_100015277604_200012344231 [0,2,0,0,0,0|1,0,1]=4 696 B11R1.124 C=C=Cc1cc(cs1)C(=O)N 271570a_100015277604_100000747962 [0,2,0,0,0,0|1,0,1]=4 697 B11R1.124 CC(=O)c1csc(c1)SCF 62a_100015361967_200012344231 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.124 CC(=O)c1csc(c1)SCF 62a_200012344231_100015361967 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.124 CC=Cc1cc(cs1)C(=O)C 271570a_100016259895_200012344231 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.124 CC=Cc1cc(cs1)C(=O)N 271570a_100016259895_100000747962 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.124 CC=Cc1nc(cs1)C(=O)N 271570a_100016259895_100010247141 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.124 CCNc1nc(cs1)C(=O)N 27a_100015525214_100010247141 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.124 CCSc1cc(cs1)C(=O)C 62a_100000210202_200012344231 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.124 CCSc1cc(cs1)C(=O)C 62a_200012344231_100000210202 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.124 CCSc1cc(cs1)C(=O)N 62a_100000210202_100000747962 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.124 CCSc1cc(cs1)C(=O)N 62a_100000747962_100000210202 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.124 CCSc1nc(cs1)C(=O)N 62a_100000210202_100010247141 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.124 CCSc1nc(cs1)C(=O)N 62a_100010247141_100000210202 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.124 CNCc1cc(cs1)[N+](=O)[O-] 207a_100102657272_100000078564 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.124 CNCc1cc(cs1)[N+](=O)[O-] 270004a_106832991635_100000078564 [0,2,0,0,0,0|1,0,1]=4 711 B11R1.124 NC(=O)c1csc(c1)SCF 62a_100000747962_100015361967 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.124 NC(=O)c1csc(c1)SCF 62a_100015361967_100000747962 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.124 NC(=O)c1csc(n1)SCF 62a_100010247141_100015361967 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.124 NC(=O)c1csc(n1)SCF 62a_100015361967_100010247141 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.175 C=C(C)c1cc(cs1)C(=O)C 271570a_100000694244_200012344231 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.175 C=C(C)c1cc(cs1)C(=O)N 271570a_100000694244_100000747962 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.175 C=C(C)c1csc(c1)C(=O)C 271570a_100000694244_100000718618 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.175 C=C(C)c1csc(c1)C(C)N 271570a_100000694244_100159270200 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.175 C=C(C)c1csc(c1)C(F)F 271570a_100000694244_100010176050 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.175 C=C(C)c1nc(cs1)C(=O)N 271570a_100000694244_100010247141 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.175 CN(C)c1nc(cs1)C(=O)N 27a_100102631434_100010247141 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200010235672_200025704644 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200025704644_200010235672 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200000210301_200010235672 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200010235672_200000210301 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.49 C=C(C)c1cc(sc1C=O)C 271570a_100000694244_100011361552 [0,2,0,0,0,0|2,0,0]=4 727 B9R1.33 CC=Cc1cnoc1C 271570a_100016259895_100009872056 [0,0,1,1,0,0|2,0,0]=4 728 B9R1.33 CC=Cc1cscc1Br 271570a_100016259895_100010143727 [0,0,1,1,0,0|2,0,0]=4 729 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [0,0,1,1,0,0|2,0,0]=4 730 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,0,0,1|2,0,0]=4 731 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [1,0,0,0,0,1|2,0,0]=4 732 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,0,0,1|2,0,0]=4 733 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,0,0,0,0,1|2,0,0]=4 734 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,0,0,1|2,0,0]=4 735 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,1|2,0,0]=4 736 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,1|2,0,0]=4 737 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,0,0,0,0,1|2,0,0]=4 738 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,1|2,0,0]=4 739 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [1,0,0,0,0,1|2,0,0]=4 740 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,0,1|1,1,0]=4 741 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,0,1|1,0,0]=3 742 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,0,1|1,0,0]=3 743 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,0,0,0,0,1|2,0,0]=4 744 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,0,0,0,0,1|2,0,0]=4 745 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,0,1|1,1,0]=4 746 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,0,1|1,0,0]=3 747 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,0,0,0,0,1|2,0,0]=4 748 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,0,2|2,0,0]=4 749 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,0,2|2,0,0]=4 750 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,0,0,0,0,2|2,0,0]=4 751 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,0,0,0,0,2|2,0,0]=4 752 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,0,0,0,0,2|2,0,0]=4 753 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,0,0,0,0,2|2,0,0]=4 754 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,0,0,0,0,2|2,0,0]=4 755 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,0,2|2,0,0]=4 756 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,0,2|2,0,0]=4 757 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,0,2|2,0,0]=4 758 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,0,2|2,0,0]=4 759 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,0,2|2,0,0]=4 760 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,0,0,0,0,2|2,0,0]=4 761 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,0,0,0,0,2|2,0,0]=4 762 B11R1.75 C=C(C)CSc1csc(c1)C 62a_100000748629_100000759034 [0,0,0,0,0,2|2,0,0]=4 763 B11R1.75 C=C(C)CSc1csc(c1)C 62a_100000759034_100000211660 [0,0,0,0,0,2|2,0,0]=4 764 B11R1.75 C=C(F)CSc1csc(c1)C 62a_100000042424_100000759034 [0,0,0,0,0,2|2,0,0]=4 765 B11R1.75 C=C(F)CSc1csc(c1)C 62a_100000759034_100000042424 [0,0,0,0,0,2|2,0,0]=4 766 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,0,0,0,0,2|2,0,0]=4 767 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,0,0,0,0,2|2,0,0]=4 768 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,0,0,0,0,2|2,0,0]=4 769 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,0,0,0,0,2|2,0,0]=4 770 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,0,0,0,0,2|2,0,0]=4 771 B11R1.75 Cc1cc(cs1)C=CC(C)O 271570a_200011019289_100000759034 [0,0,0,0,0,2|1,0,1]=4 772 B11R1.75 Cc1cc(cs1)SCC(=O)N 62a_100000747473_100000759034 [0,0,0,0,0,2|1,0,0]=3 773 B11R1.75 Cc1cc(cs1)SCC(=O)N 62a_100000759034_100000747473 [0,0,0,0,0,2|1,0,0]=3 774 B11R1.75 Cc1cc(cs1)SCC(=O)[O-] 62a_100000759034_100020667443 [0,0,0,0,0,2|0,0,1]=3 775 B11R1.75 Cc1cc(cs1)SCC(=O)[O-] 62a_100020667443_100000759034 [0,0,0,0,0,2|0,0,1]=3 776 B11R1.75 Cc1cc(cs1)SCC(C)O 62a_100000759034_100011218427 [0,0,0,0,0,2|1,0,1]=4 777 B11R1.75 Cc1cc(cs1)SCC(C)O 62a_100011218427_100000759034 [0,0,0,0,0,2|1,0,1]=4 778 B11R1.75 Cc1cc(cs1)SC[C@@H](C)O 62a_100000759034_100009817552 [0,0,0,0,0,2|1,0,1]=4 779 B11R1.75 Cc1cc(cs1)SC[C@@H](C)O 62a_100009817552_100000759034 [0,0,0,0,0,2|1,0,1]=4 780 B11R1.75 Cc1cc(cs1)SC[N+](=O)[O-] 62a_100000759034_100000761209 [0,0,0,0,0,2|1,0,1]=4 781 B11R1.75 Cc1nc(cs1)SCC(=O)N 62a_100000747473_100011934587 [0,0,0,0,0,2|2,0,0]=4 782 B11R1.75 Cc1nc(cs1)SCC(=O)N 62a_100011934587_100000747473 [0,0,0,0,0,2|2,0,0]=4 783 B11R1.75 Cc1nc(cs1)SCC(=O)[O-] 62a_100011934587_100020667443 [0,0,0,0,0,2|1,0,1]=4 784 B11R1.75 Cc1nc(cs1)SCC(=O)[O-] 62a_100020667443_100011934587 [0,0,0,0,0,2|1,0,1]=4 785 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,2|2,0,0]=4 786 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,2|2,0,0]=4 787 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,2|2,0,0]=4 788 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,2|2,0,0]=4 789 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,2|2,0,0]=4 790 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,2|2,0,0]=4 791 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,2|2,0,0]=4 792 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,2|2,0,0]=4 793 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,2|2,0,0]=4 794 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,2|2,0,0]=4