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|2,0,0]=2 2 B9R1.35 C=C(C)c1cc([nH]n1)N 271570a_100000694244_100009822546 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 C=C(C)c1cn(nn1)C 271570a_100000694244_100000760339 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 C=C(C)c1cn(nn1)C 274090a_200000210301_100000037822 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 C=C(C)c1cn(nn1)[13CH3] 274090a_200025704644_100000037822 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 C=C(C)c1n[nH]c(n1)C 271570a_100000694244_100000732540 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 C=C(C)c1n[nH]c(n1)N 271570a_100000694244_100015184587 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 C=C(C)c1nnc(o1)C 271570a_100000694244_100000708914 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 C[C@@H](O)c1cn(nn1)C 274090a_200000210301_100009815206 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 C[C@@H](O)c1cn(nn1)[13CH3] 274090a_200025704644_100009815206 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 Cn1cc(nn1)C(=O)N 274090a_200000210301_100011470575 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.35 [13CH3]n1cc(nn1)C(=O)N 274090a_200025704644_100011470575 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.1 C=Cc1cc([nH]n1)N 271570a_100011290941_100009822546 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 C=Cc1cn(nn1)C 271570a_100011290941_100000760339 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 C=Cc1n[nH]c(n1)C 271570a_100011290941_100000732540 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.1 C=Cc1n[nH]c(n1)N 271570a_100011290941_100015184587 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 C=Cc1nnc(s1)C 271570a_100011290941_100000686958 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.1 C=Cc1noc(n1)C 271570a_100011290941_100012003639 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.1 CSc1n[nH]c(n1)C 62a_100000732540_200000210301 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.1 CSc1n[nH]c(n1)C 62a_200000210301_100000732540 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_100000732540_200025704644 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_200025704644_100000732540 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.14 CNC(=O)C1=NNC(=O)C1 240690a_100102657272_200000752725 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.14 CNC(=O)C1=NNC(=O)C1 527a_100102657272_200000752725 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.14 CNC(=O)c1cn(nn1)C 274090a_200000210301_100000703847 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.14 CNC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000703847 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.14 COC(=O)c1cn(nn1)C 274090a_200000210301_100000211194 [0,1,0,0,0,0|1,0,1]=3 80 B10R1.14 COC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000211194 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.31 CC(=O)c1cn(nn1)CF 274090a_100015361967_100000690481 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_100010205889_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_200025704644_100010205889 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.31 CCn1cc(nn1)C(=O)C 274090a_100000204670_100000690481 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.31 CCn1cc(nn1)C(=O)N 274090a_100000204670_100011470575 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.31 CSc1cc(on1)C(=O)N 62a_100010589868_200000210301 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.31 CSc1cc(on1)C(=O)N 62a_200000210301_100010589868 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.31 CSc1cnn(c1)C(=O)C 62a_100010205889_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.31 CSc1cnn(c1)C(=O)C 62a_200000210301_100010205889 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.31 NC(=O)c1cn(nn1)CF 274090a_100015361967_100011470575 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.31 [13CH3]Sc1cc(on1)C(=O)N 62a_100010589868_200025704644 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.31 [13CH3]Sc1cc(on1)C(=O)N 62a_200025704644_100010589868 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.58 C=C(C)c1cc(n(n1)C)C 271570a_100000694244_100012001299 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.58 C=C(C)c1cc(n(n1)C)N 271570a_100000694244_100000734454 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.194 C=C(C)c1n[nH]c(c1C)C 271570a_100000694244_100015309786 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,1,0,0,0|3,0,0]=4 130 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,0,1,0,0,0|3,0,0]=4 133 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,1,0,0,0|1,0,2]=4 134 B10R2.14 Cc1cc(n[nH]1)C2CC2 271570a_100011220607_100015199547 [0,0,0,1,0,0|2,0,1]=4 135 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,0,0,0,0,1|2,0,1]=4 138 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,0,0,0,0,1|2,0,1]=4 141 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,0,0,0,0,1|3,0,0]=4 144 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,0,0,0,0,1|3,0,0]=4 145 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,1|3,0,0]=4 146 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,0,0,0,0,1|2,0,1]=4 148 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,0,0,0,0,1|2,0,1]=4 151 B10R1.54 CC(=Cc1cc([nH]n1)C)C 271570a_100102525489_100015199547 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.54 CC(=Cc1cc([nH]n1)N)C 271570a_100102525489_100009822546 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.54 CC(=Cc1n[nH]c(n1)C)C 271570a_100102525489_100000732540 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,0,0,0,0,1|2,0,1]=4 155 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,0,0,0,0,1|2,0,1]=4 156 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.54 CC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000070787_100000754189 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.54 CC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_200000210301 [0,0,0,0,0,1|2,0,0]=3 161 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,0,0,0,0,1|2,0,1]=4 162 B10R1.54 CC(=O)Cc1nnc(s1)C 1458a_100000070787_100000688753 [0,0,0,0,0,1|2,0,1]=4 163 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000070787_100000231061 [0,0,0,0,0,1|3,0,0]=4 164 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000105485_200000210301 [0,0,0,0,0,1|3,0,0]=4 165 B10R1.54 CC(=O)Cc1noc(n1)C 270196a_100011229364_100000070787 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100000210206_100009819999 [0,0,0,0,0,1|2,0,1]=4 168 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100009819999_100000210206 [0,0,0,0,0,1|2,0,1]=4 169 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,0,0,0,0,1|2,0,1]=4 170 B10R1.54 Cc1cn(nn1)CC(=O)N 274090a_100000187820_200000242740 [0,0,0,0,0,1|2,0,1]=4 171 B10R1.54 Cc1cn(nn1)CC(=O)[O-] 274090a_100020667443_200000242740 [0,0,0,0,0,1|1,0,2]=4 172 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,0,0,0,0,1|3,0,0]=4 173 B10R1.54 Cc1nc(n[nH]1)CC(=O)[13CH3] 1458a_100011457670_200025704644 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.54 Cc1nc(no1)CC(=O)N 270196a_100000183472_100000070787 [0,0,0,0,0,1|3,0,0]=4 175 B10R1.54 Cc1nc(no1)CC(=O)[13CH3] 1458a_100000105485_200025704644 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,0,0,0,0,1|2,0,1]=4 179 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,0,0,0,0,1|2,0,1]=4 180 B10R1.113 C=C(C)c1cn[nH]c(=O)c1 271570a_100000694244_100010197405 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,0,0,0,0,1|2,0,1]=4 188 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,0,0,0,0,1|2,0,1]=4 190 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [2,0,0,0,0,0|1,0,0]=3 191 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [2,0,0,0,0,0|2,0,0]=4 192 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [2,0,0,0,0,0|2,0,0]=4 196 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [2,0,0,0,0,0|2,0,0]=4 197 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [2,0,0,0,0,0|2,0,0]=4 198 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [2,0,0,0,0,0|0,0,0]=2 199 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [2,0,0,0,0,0|1,0,1]=4 200 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [2,0,0,0,0,0|2,0,0]=4 203 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [2,0,0,0,0,0|1,0,0]=3 204 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [2,0,0,0,0,0|2,0,0]=4 205 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [2,0,0,0,0,0|1,0,1]=4 206 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [2,0,0,0,0,0|1,0,1]=4 207 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [2,0,0,0,0,0|1,0,1]=4 208 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [2,0,0,0,0,0|2,0,0]=4 209 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [2,0,0,0,0,0|1,0,0]=3 210 B7R1.2 Nc1nc(n[nH]1)O 271570a_203496583355_100015184587 [2,0,0,0,0,0|2,0,0]=4 211 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [2,0,0,0,0,0|2,0,0]=4 212 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,1,0,0,0|0,0,2]=4 213 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,1,1,0,0,0|1,0,0]=3 215 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,1,0,0,0|0,0,2]=4 216 B9R1.7 C=C=Cc1cc([nH]n1)C 271570a_100015277604_100015199547 [1,1,0,0,0,0|1,0,0]=3 217 B9R1.7 C=C=Cc1cc([nH]n1)N 271570a_100015277604_100009822546 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.7 C=C=Cc1n[nH]c(n1)C 271570a_100015277604_100000732540 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.7 CC=Cc1cc([nH]n1)C 271570a_100016259895_100015199547 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.7 CC=Cc1cc([nH]n1)N 271570a_100016259895_100009822546 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.7 CC=Cc1n[nH]c(n1)C 271570a_100016259895_100000732540 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.7 CCSc1cc([nH]n1)C 62a_100000210202_100009819999 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.7 CCSc1cc([nH]n1)C 62a_100009819999_100000210202 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.7 Cc1cc(n[nH]1)SCF 62a_100009819999_100015361967 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.7 Cc1cc(n[nH]1)SCF 62a_100015361967_100009819999 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [1,1,0,0,0,0|1,0,1]=4 229 B9R1.7 Cc1cn(nn1)CC=O 274090a_200015260668_200000242740 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.21 CSc1cc(on1)C=O 62a_100009819588_200000210301 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.21 CSc1cc(on1)C=O 62a_200000210301_100009819588 [1,1,0,0,0,0|1,0,1]=4 239 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,1,0,0,0,0|1,0,1]=4 246 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,1,0,0,0,0|1,0,1]=4 247 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_100009819588_200025704644 [1,1,0,0,0,0|1,0,1]=4 252 B9R1.21 [13CH3]Sc1cc(on1)C=O 62a_200025704644_100009819588 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.23 C=Cc1cc(n(n1)C)C 271570a_100011290941_100012001299 [1,1,0,0,0,0|1,0,0]=3 260 B9R1.23 C=Cc1cc(n(n1)C)N 271570a_100011290941_100000734454 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.23 CSc1cc(n(n1)C)C 62a_100012001299_200000210301 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.23 CSc1cc(n(n1)C)C 62a_200000210301_100012001299 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_100012001299_200025704644 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.23 Cc1cc(nn1C)S[13CH3] 62a_200025704644_100012001299 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.132 C=Cc1n[nH]c(c1C)C 271570a_100011290941_100015309786 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.132 CSc1n[nH]c(c1C)C 62a_100015309786_200000210301 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.132 CSc1n[nH]c(c1C)C 62a_200000210301_100015309786 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_100015309786_200025704644 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.132 Cc1[nH]nc(c1C)S[13CH3] 62a_200025704644_100015309786 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.41 C=C(C)c1n[nH]cc1Br 271570a_100000694244_100015839836 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.41 C=C(C)c1n[nH]cc1N 271570a_100000694244_100010894806 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.3 CNc1ccc(nn1)C(=O)N 27a_100102657272_100000761398 [0,1,0,0,0,1|1,0,1]=4 283 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_100000761398_200000210301 [0,1,0,0,0,1|1,0,1]=4 292 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_200000210301_100000761398 [0,1,0,0,0,1|1,0,1]=4 293 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_100009996756_200000210301 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_200000210301_100009996756 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_100000761398_200025704644 [0,1,0,0,0,1|1,0,1]=4 304 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_200025704644_100000761398 [0,1,0,0,0,1|1,0,1]=4 305 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_100009996756_200025704644 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_200025704644_100009996756 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,1|2,0,0]=4 310 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,1|1,0,1]=4 311 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.39 C#CC(=O)Cc1cc(on1)C 1458a_100000211873_100000199038 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.39 C=CC(=O)Cc1cc(on1)C 1458a_100000185746_100000199038 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.39 CCC(=O)Cc1cc(on1)C 1458a_100000210414_100000199038 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.39 CCC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_100000210202 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.39 CNC(=O)Cc1n[nH]c(n1)C 240690a_100102657272_100011457670 [0,1,0,0,0,1|2,0,0]=4 318 B11R1.39 COC(=O)Cc1cn(nn1)C 274090a_200000210301_100000760081 [0,1,0,0,0,1|1,0,1]=4 319 B11R1.39 COC(=O)Cc1cn(nn1)[13CH3] 274090a_200025704644_100000760081 [0,1,0,0,0,1|1,0,1]=4 320 B11R1.39 COC(=O)Cn1cc(nn1)C 274090a_100000747449_200000242740 [0,1,0,0,0,1|1,0,1]=4 321 B11R1.39 COC(C)Sc1cc([nH]n1)C 62a_100009819999_100009879195 [0,1,0,0,0,1|1,0,1]=4 322 B11R1.39 COC(C)Sc1cc([nH]n1)C 62a_100009879195_100009819999 [0,1,0,0,0,1|1,0,1]=4 323 B11R1.39 Cc1cc(n[nH]1)SC(C)CO 62a_100012180447_100009819999 [0,1,0,0,0,1|1,0,1]=4 324 B11R1.39 Cc1cc(n[nH]1)S[C@H](C)CO 62a_100009819999_100016084084 [0,1,0,0,0,1|1,0,1]=4 325 B11R1.39 Cc1cc(n[nH]1)S[C@H](C)CO 62a_100016084084_100009819999 [0,1,0,0,0,1|1,0,1]=4 326 B11R1.39 Cc1cc(no1)CC(=O)CO 1458a_100000210174_100000199038 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.39 Cc1cc(on1)CC(=O)CO 1458a_100000210174_100000707947 [0,1,0,0,0,1|1,0,1]=4 328 B11R1.39 Cc1nc(n[nH]1)CC(=O)CF 1458a_100011457670_100015361967 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.39 Cc1nc(no1)CC(=O)CO 1458a_100000210174_100000231061 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.39 Cc1nnc(o1)CC(=O)CO 1458a_100000210174_100000181450 [0,1,0,0,0,1|1,0,1]=4 331 B11R1.39 Cc1nnc(s1)CC(=O)CO 1458a_100000210174_100000688753 [0,1,0,0,0,1|1,0,1]=4 332 B11R1.39 Cn1cnc(c1)CC(=O)CO 1458a_100000210174_100000717665 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.39 O=C(CO)Cc1n[nH]c(=O)[nH]1 1458a_100000210174_100000754189 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.43 CCc1nc(n[nH]1)CC(=O)C 1458a_100000070787_100000698245 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.80 CC(=Cc1cc(n(n1)C)C)C 271570a_100102525489_100012001299 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.80 CC(=O)Cc1cc(n(n1)C)C 1458a_100000070787_100000761402 [0,1,0,0,0,1|1,0,0]=3 337 B11R1.313 CC(=Cc1n[nH]c(c1C)C)C 271570a_100102525489_100015309786 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.314 CC(=C(C)c1cc([nH]n1)C)C 271570a_200000049429_100015199547 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,1,0,0,0,1|1,0,1]=4 341 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.266 CNc1cc(cnn1)C(=O)N 27a_100102657272_100015785749 [0,1,0,0,0,1|1,0,1]=4 348 B11R1.266 CNc1cc(ncn1)C(=O)N 27a_100102657272_100000725265 [0,1,0,0,0,1|1,0,1]=4 349 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_100015785749_200000210301 [0,1,0,0,0,1|1,0,1]=4 352 B11R1.266 CSc1cc(cnn1)C(=O)N 62a_200000210301_100015785749 [0,1,0,0,0,1|1,0,1]=4 353 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_100000725265_200000210301 [0,1,0,0,0,1|1,0,1]=4 354 B11R1.266 CSc1cc(ncn1)C(=O)N 62a_200000210301_100000725265 [0,1,0,0,0,1|1,0,1]=4 355 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_100015785749_200025704644 [0,1,0,0,0,1|1,0,1]=4 365 B11R1.266 [13CH3]Sc1cc(cnn1)C(=O)N 62a_200025704644_100015785749 [0,1,0,0,0,1|1,0,1]=4 366 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_100000725265_200025704644 [0,1,0,0,0,1|1,0,1]=4 367 B11R1.266 [13CH3]Sc1cc(ncn1)C(=O)N 62a_200025704644_100000725265 [0,1,0,0,0,1|1,0,1]=4 368 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.15 CCOC(=O)c1cc([nH]n1)O 271570a_203496583355_100010743333 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.15 CCOC(=O)c1cn(nn1)C 274090a_200000210301_100000211265 [0,2,0,0,0,0|1,0,1]=4 374 B11R1.15 CCOC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000211265 [0,2,0,0,0,0|1,0,1]=4 375 B11R1.15 CCOC(=O)c1n[nH]c(n1)O 271570a_203496583355_100010232984 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.44 C=Cc1cc(c[nH]1)C(=O)OC 271570a_100011290941_100009840242 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.44 C=Cc1cc(n[nH]1)C(=O)OC 271570a_100011290941_100010760819 [0,2,0,0,0,0|0,0,1]=3 378 B11R1.44 CCn1cc(nn1)C(=O)OC 274090a_100000204670_100000211194 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.44 COC(=O)c1cc([nH]n1)SC 62a_100010760819_200000210301 [0,2,0,0,0,0|0,0,0]=2 384 B11R1.44 COC(=O)c1cc([nH]n1)SC 62a_200000210301_100010760819 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.44 COC(=O)c1cc([nH]n1)S[13CH3] 62a_100010760819_200025704644 [0,2,0,0,0,0|0,0,0]=2 386 B11R1.44 COC(=O)c1cc([nH]n1)S[13CH3] 62a_200025704644_100010760819 [0,2,0,0,0,0|0,0,0]=2 387 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.44 COC(=O)c1cc(no1)SC 62a_100009817109_200000210301 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.44 COC(=O)c1cc(no1)SC 62a_200000210301_100009817109 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_100009817109_200025704644 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.44 COC(=O)c1cc(no1)S[13CH3] 62a_200025704644_100009817109 [0,2,0,0,0,0|1,0,1]=4 399 B11R1.44 COC(=O)c1cn(nn1)CF 274090a_100015361967_100000211194 [0,2,0,0,0,0|1,0,1]=4 400 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.44 COC(=O)c1ncc(s1)SC 62a_100010191244_200000210301 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.44 COC(=O)c1ncc(s1)SC 62a_200000210301_100010191244 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_100010191244_200025704644 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100010191244 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.226 COC(=O)c1cc(n(n1)C)O 271570a_203496583355_100010367948 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.865 COC(=O)c1noc(c1O)C 271570a_203496583355_100010255069 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.48 C=C(C)c1cc(n(n1)CC)C 271570a_100000694244_100010781242 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200010235672_200025704644 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.473 CC(=O)c1c[nH]c(c1C)S[13CH3] 62a_200025704644_200010235672 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200000210301_200010235672 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.473 CSc1[nH]cc(c1C)C(=O)C 62a_200010235672_200000210301 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.33 CC=Cc1n[nH]cc1Br 271570a_100016259895_100015839836 [0,0,1,1,0,0|2,0,0]=4 419 B9R1.33 CC=Cc1n[nH]cc1C 271570a_100016259895_100009871783 [0,0,1,1,0,0|2,0,0]=4 420 B9R1.33 CC=Cc1n[nH]cc1N 271570a_100016259895_100010894806 [0,0,1,1,0,0|2,0,0]=4 421 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,1,0,0,1|1,0,1]=4 422 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,0,0,1|2,0,0]=4 423 B9R1.2 C=Cc1cc(cnn1)C 271570a_100011290941_100000070100 [1,0,0,0,0,1|1,0,1]=4 424 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [1,0,0,0,0,1|1,0,1]=4 425 B9R1.2 C=Cc1cn[nH]c(=O)c1 271570a_100011290941_100010197405 [1,0,0,0,0,1|2,0,0]=4 426 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,0,0,1|2,0,0]=4 427 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,1|2,0,0]=4 428 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,1|2,0,0]=4 429 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [1,0,0,0,0,1|2,0,0]=4 430 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,0,0,0,0,1|2,0,0]=4 431 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,0,0,0,0,2|2,0,0]=4 432 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,0,0,0,0,2|2,0,0]=4 433 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,0,0,0,0,2|2,0,0]=4 434 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,0,0,0,0,2|2,0,0]=4 435 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,0,0,0,0,2|2,0,0]=4 436 B11R1.75 C=C(C)CSc1cc([nH]n1)C 62a_100000748629_100009819999 [0,0,0,0,0,2|2,0,0]=4 437 B11R1.75 C=C(C)CSc1cc([nH]n1)C 62a_100009819999_100000211660 [0,0,0,0,0,2|2,0,0]=4 438 B11R1.75 C=C(F)CSc1cc([nH]n1)C 62a_100000042424_100009819999 [0,0,0,0,0,2|2,0,0]=4 439 B11R1.75 C=C(F)CSc1cc([nH]n1)C 62a_100009819999_100000042424 [0,0,0,0,0,2|2,0,0]=4 440 B11R1.75 CC(=O)CCc1n[nH]c(n1)C 1458a_102515433058_200000210301 [0,0,0,0,0,2|2,0,0]=4 441 B11R1.75 CC(=O)NCc1cc(on1)C 11a_100000745230_100015343762 [0,0,0,0,0,2|2,0,0]=4 442 B11R1.75 CC(=O)NCc1cc(on1)C 240690a_100000745230_100015343762 [0,0,0,0,0,2|2,0,0]=4 443 B11R1.75 CC(=O)NCc1cc(on1)C 527a_100000745230_100103153847 [0,0,0,0,0,2|2,0,0]=4 444 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 11a_100000752542_100015343762 [0,0,0,0,0,2|2,0,0]=4 445 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 240690a_100000752542_100015343762 [0,0,0,0,0,2|2,0,0]=4 446 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 527a_100000752542_100103153847 [0,0,0,0,0,2|2,0,0]=4 447 B11R1.75 Cc1cc(n[nH]1)C=CC(C)O 271570a_200011019289_100015199547 [0,0,0,0,0,2|1,0,1]=4 448 B11R1.75 Cc1cc(n[nH]1)SCC(=O)N 62a_100000747473_100009819999 [0,0,0,0,0,2|1,0,0]=3 449 B11R1.75 Cc1cc(n[nH]1)SCC(=O)N 62a_100009819999_100000747473 [0,0,0,0,0,2|1,0,0]=3 450 B11R1.75 Cc1cc(n[nH]1)SCC(=O)[O-] 62a_100009819999_100020667443 [0,0,0,0,0,2|0,0,1]=3 451 B11R1.75 Cc1cc(n[nH]1)SCC(=O)[O-] 62a_100020667443_100009819999 [0,0,0,0,0,2|0,0,1]=3 452 B11R1.75 Cc1cc(n[nH]1)SCC(C)O 62a_100009819999_100011218427 [0,0,0,0,0,2|1,0,1]=4 453 B11R1.75 Cc1cc(n[nH]1)SCC(C)O 62a_100011218427_100009819999 [0,0,0,0,0,2|1,0,1]=4 454 B11R1.75 Cc1cc(n[nH]1)SC[C@@H](C)O 62a_100009817552_100009819999 [0,0,0,0,0,2|1,0,1]=4 455 B11R1.75 Cc1cc(n[nH]1)SC[C@@H](C)O 62a_100009819999_100009817552 [0,0,0,0,0,2|1,0,1]=4 456 B11R1.75 Cc1cc(n[nH]1)SC[N+](=O)[O-] 62a_100009819999_100000761209 [0,0,0,0,0,2|1,0,1]=4 457 B11R1.75 Cc1cc(no1)SCC(=O)N 62a_100000716708_100000747473 [0,0,0,0,0,2|2,0,0]=4 458 B11R1.75 Cc1cc(no1)SCC(=O)N 62a_100000747473_100000716708 [0,0,0,0,0,2|2,0,0]=4 459 B11R1.75 Cc1cc(no1)SCC(=O)[O-] 62a_100000716708_100020667443 [0,0,0,0,0,2|1,0,1]=4 460 B11R1.75 Cc1cc(no1)SCC(=O)[O-] 62a_100020667443_100000716708 [0,0,0,0,0,2|1,0,1]=4 461 B11R1.75 Cc1nc(n[nH]1)CCC(=O)[13CH3] 1458a_102515433058_200025704644 [0,0,0,0,0,2|2,0,0]=4 462 B11R1.75 Cc1nc(n[nH]1)SCC(=O)N 62a_100000732540_100000747473 [0,0,0,0,0,2|2,0,0]=4 463 B11R1.75 Cc1nc(n[nH]1)SCC(=O)N 62a_100000747473_100000732540 [0,0,0,0,0,2|2,0,0]=4 464 B11R1.75 Cc1nc(n[nH]1)SCC(=O)[O-] 62a_100000732540_100020667443 [0,0,0,0,0,2|1,0,1]=4 465 B11R1.75 Cc1nc(n[nH]1)SCC(=O)[O-] 62a_100020667443_100000732540 [0,0,0,0,0,2|1,0,1]=4 466 B11R1.75 Cn1cc(nn1)CCC(=O)O 274090a_200000210301_100000692101 [0,0,0,0,0,2|1,0,1]=4 467 B11R1.75 NC(=O)CSc1cc([nH]n1)N 62a_100000747473_100009822546 [0,0,0,0,0,2|2,0,0]=4 468 B11R1.75 NC(=O)CSc1cc([nH]n1)N 62a_100009822546_100000747473 [0,0,0,0,0,2|2,0,0]=4 469 B11R1.75 Nc1cc(n[nH]1)SCC(=O)[O-] 62a_100009822546_100020667443 [0,0,0,0,0,2|1,0,1]=4 470 B11R1.75 Nc1cc(n[nH]1)SCC(=O)[O-] 62a_100020667443_100009822546 [0,0,0,0,0,2|1,0,1]=4 471 B11R1.75 [13CH3]n1cc(nn1)CCC(=O)O 274090a_200025704644_100000692101 [0,0,0,0,0,2|1,0,1]=4 472 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,2|2,0,0]=4 473 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,2|2,0,0]=4