0 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|2,1,1]=4 19 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|2,1,1]=4 22 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,0,0|2,1,0]=4 27 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.35 C=C(C)c1csc(n1)N 271570a_100000694244_100011998049 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.35 Cn1cc(nn1)C(=O)N 274090a_200000210301_100011470575 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,0,0|1,1,0]=3 84 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.35 [13CH3]n1cc(nn1)C(=O)N 274090a_200025704644_100011470575 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|3,0,0]=4 98 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,1|3,0,0]=4 104 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,1|3,0,0]=4 105 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,1|3,0,0]=4 106 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,0,1|2,0,0]=3 111 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,0,1|2,0,0]=3 112 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,0,1|2,0,0]=3 113 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,0,1|2,0,1]=4 114 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,0,1|2,1,0]=4 117 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,0,1|2,0,0]=3 119 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,0,1|1,0,0]=2 122 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,0,1|1,0,0]=2 123 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.13 CC(C)Sc1cscn1 62a_100000210206_100000751502 [0,0,0,0,0,1|2,0,1]=4 129 B9R1.13 CC(C)Sc1cscn1 62a_100000751502_100000210206 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,0,1|2,1,0]=4 142 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,0,1|2,0,0]=3 143 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,0,1|1,0,0]=2 144 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,0,1|3,0,0]=4 146 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,1,0,0,0|2,0,0]=4 147 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,1,0,0,0|2,0,0]=4 148 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [2,0,0,0,0,0|1,0,0]=3 149 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [2,0,0,0,0,0|2,0,0]=4 150 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|2,0,0]=4 151 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|2,0,0]=4 152 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [2,0,0,0,0,0|1,1,0]=4 153 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [2,0,0,0,0,0|1,0,0]=3 154 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [2,0,0,0,0,0|2,0,0]=4 155 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [2,0,0,0,0,0|2,0,0]=4 158 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [2,0,0,0,0,0|0,0,0]=2 159 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [2,0,0,0,0,0|2,0,0]=4 160 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [2,0,0,0,0,0|2,0,0]=4 162 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.1 N#Cc1csc(n1)O 271570a_203496583355_100009819631 [1,1,0,0,0,0|1,0,1]=4 176 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,1,0,0,0,0|0,0,0]=2 184 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [1,1,0,0,0,0|0,0,1]=3 187 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.8 C=C=Cc1c[nH]cn1 271570a_100015277604_100000756875 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.8 C=C=Cc1ccsc1 271570a_100015277604_100000738268 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.8 C=C=Cc1cscn1 271570a_100015277604_100000751502 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [1,1,0,0,0,0|1,0,1]=4 197 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,1,0,0,0,0|1,0,1]=4 198 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,1,0,0,0,0|1,0,1]=4 199 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,1,0,0,0,0|1,0,1]=4 200 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,1,0,0,0,0|1,0,1]=4 201 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,1,0,0,0,0|1,0,1]=4 204 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,1,0,0,0,0|1,0,1]=4 206 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,1,0,0,0,0|0,0,1]=3 207 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,1,0,0,0,0|0,1,1]=4 208 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,1,0,0,0,0|0,1,1]=4 209 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,1,0,0,0,0|0,1,1]=4 214 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,1,0,0,0,0|0,1,1]=4 215 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.11 C=Cc1cscc1Br 271570a_100011290941_100010143727 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.23 CC(=C(C)c1cscn1)C 271570a_200000049429_100000751502 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.27 C#CC(=O)Cc1c[nH]cn1 1458a_100000211873_100000707719 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.27 C#CC(=O)Cc1ccsc1 1458a_100000211873_100011233845 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.27 C#CC(=O)Cc1cscn1 1458a_100000211873_100000205941 [0,1,0,0,0,1|1,0,0]=3 262 B10R1.27 C=CC(=O)Cc1c[nH]cn1 1458a_100000185746_100000707719 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.27 C=CC(=O)Cc1ccsc1 1458a_100000185746_100011233845 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.27 C=CC(=O)Cc1cscn1 1458a_100000185746_100000205941 [0,1,0,0,0,1|1,0,0]=3 265 B10R1.27 CC(CO)Sc1cscn1 62a_100012180447_100000751502 [0,1,0,0,0,1|1,0,1]=4 266 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,0,1|1,0,0]=3 271 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,0,1|1,0,0]=3 272 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,1,0,0,0,1|1,0,0]=3 278 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,1,0,0,0,1|1,0,0]=3 279 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.27 COC(C)Sc1cscn1 62a_100000751502_100009879195 [0,1,0,0,0,1|1,0,1]=4 282 B10R1.27 COC(C)Sc1cscn1 62a_100009879195_100000751502 [0,1,0,0,0,1|1,0,1]=4 283 B10R1.27 C[C@H](CO)Sc1cscn1 62a_100000751502_100016084084 [0,1,0,0,0,1|1,0,1]=4 284 B10R1.27 C[C@H](CO)Sc1cscn1 62a_100016084084_100000751502 [0,1,0,0,0,1|1,0,1]=4 285 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,1,0,0,0,1|1,0,0]=3 288 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,0,1|1,0,0]=3 289 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,0,1|0,0,0]=2 293 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.27 O=C(CO)Cn1cncn1 1458a_100000210174_200020645497 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.54 CC(=Cc1csc(n1)C)C 271570a_100102525489_100011934587 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.54 CC(=Cc1csc(n1)N)C 271570a_100102525489_100011998049 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,0,1|1,0,0]=3 301 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,0,1|1,0,0]=3 302 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.54 CC(=O)Cc1nsc(n1)Cl 1458a_100000070787_100000043760 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,0,1|1,0,0]=3 305 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.64 CC(=Cc1ncsc1C)C 271570a_100102525489_100000732656 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,0,1|1,1,0]=4 311 B10R1.64 CC(=O)Cc1nnsc1Cl 1458a_100000070787_100000018852 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,2,0,0,0,0|1,1,0]=4 317 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,2,0,0,0,0|1,1,0]=4 318 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,2,0,0,0,0|1,1,0]=4 319 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,2,0,0,0,0|1,1,0]=4 320 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,2,0,0,0,0|1,0,0]=3 321 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,2,0,0,0,0|1,0,1]=4 326 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.14 COC(=O)c1cn(nn1)C 274090a_200000210301_100000211194 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.14 COC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000211194 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,2,0,0,0,0|0,1,0]=3 333 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,2,0,0,0,0|0,0,0]=2 335 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,2,0,0,0,0|1,0,1]=4 339 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,2,0,0,0,0|1,0,1]=4 340 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,2,0,0,0,0|1,1,0]=4 341 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,2,0,0,0,0|0,0,0]=2 344 B10R1.149 COC(=O)c1nsnc1O 271570a_203496583355_200010229606 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.31 C=C(C)c1csc(n1)C#N 271570a_100000694244_100009819034 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.31 C=C(C)c1csc(n1)C=O 271570a_100000694244_100009816814 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.31 C=C(C)c1csc(n1)CO 271570a_100000694244_100012000107 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.31 C=C(C)c1csc(n1)OC 271570a_100000694244_100000727839 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.31 C=C(C)c1csc(n1)SC 271570a_100000694244_100000732701 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.31 C=Cc1cc(cs1)C(=O)N 271570a_100011290941_100000747962 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.31 C=Cc1nc(co1)C(=O)N 271570a_100011290941_100009981048 [0,2,0,0,0,0|1,1,0]=4 356 B10R1.31 C=Cc1nc(cs1)C(=O)N 271570a_100011290941_100010247141 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.31 CNc1nc(co1)C(=O)N 27a_100102657272_100009981048 [0,2,0,0,0,0|1,1,0]=4 360 B10R1.31 CNc1nc(cs1)C(=O)N 27a_100102657272_100010247141 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.31 CSc1nc(co1)C(=O)N 62a_100009981048_200000210301 [0,2,0,0,0,0|1,1,0]=4 366 B10R1.31 CSc1nc(co1)C(=O)N 62a_200000210301_100009981048 [0,2,0,0,0,0|1,1,0]=4 367 B10R1.31 CSc1nc(cs1)C(=O)N 62a_100010247141_200000210301 [0,2,0,0,0,0|1,0,0]=3 368 B10R1.31 CSc1nc(cs1)C(=O)N 62a_200000210301_100010247141 [0,2,0,0,0,0|1,0,0]=3 369 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_100009981048_200025704644 [0,2,0,0,0,0|1,1,0]=4 372 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_200025704644_100009981048 [0,2,0,0,0,0|1,1,0]=4 373 B10R1.31 [13CH3]Sc1nc(cs1)C(=O)N 62a_100010247141_200025704644 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.31 [13CH3]Sc1nc(cs1)C(=O)N 62a_200025704644_100010247141 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.59 C=C(C)c1nc(sc1C)C 271570a_100000694244_100010270876 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.59 C=C(C)c1nc(sc1C)N 271570a_100000694244_100009817509 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.39 C=C(C)c1ncsc1CO 271570a_100000694244_100012000948 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.39 C=Cc1cscc1C(=O)N 271570a_100011290941_100009817205 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,2,0,0,0,0|2,0,0]=4 383 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [0,0,0,1,0,1|2,0,0]=4 384 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,1|2,0,0]=4 385 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,1|2,0,0]=4 386 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,1|2,0,0]=4 387 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,1|2,0,0]=4 388 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,1|2,0,0]=4 389 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [1,0,0,0,0,1|2,0,0]=4 390 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,1|2,0,0]=4 391 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,2|2,0,0]=4 392 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,2|2,0,0]=4 393 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,2|2,0,0]=4 394 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,2|2,0,0]=4 395 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,2|2,0,0]=4 396 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,2|2,0,0]=4 397 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,2|2,0,0]=4 398 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,2|2,0,0]=4 399 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,2|2,0,0]=4 400 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,2|2,0,0]=4 401 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,2|2,0,0]=4 402 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,2|2,0,0]=4 403 B10R1.66 C=C(C)CSc1cscn1 62a_100000748629_100000751502 [0,0,0,0,0,2|2,0,0]=4 404 B10R1.66 C=C(C)CSc1cscn1 62a_100000751502_100000211660 [0,0,0,0,0,2|2,0,0]=4 405 B10R1.66 C=C(F)CSc1cscn1 62a_100000042424_100000751502 [0,0,0,0,0,2|2,0,0]=4 406 B10R1.66 C=C(F)CSc1cscn1 62a_100000751502_100000042424 [0,0,0,0,0,2|2,0,0]=4 407 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,2|2,0,0]=4 408 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,2|2,0,0]=4 409 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,2|1,0,0]=3 410 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,2|2,0,0]=4 411 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,2|2,0,0]=4 412 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,2|2,0,0]=4 413 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,2|2,0,0]=4 414 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,2|2,0,0]=4 415 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,2|2,0,0]=4 416 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,2|2,0,0]=4 417 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,2|2,0,0]=4 418 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,2|2,0,0]=4 419 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,2|1,1,0]=4 420 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,2|1,1,0]=4 421 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,2|1,1,0]=4 422 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,2|1,0,0]=3 423 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,2|1,0,0]=3 424 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,2|1,0,0]=3 425 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,2|1,0,0]=3 426 B10R1.66 CC(O)C=Cc1cscn1 271570a_200011019289_100000751502 [0,0,0,0,0,2|1,0,1]=4 427 B10R1.66 CC(O)CSc1cscn1 62a_100000751502_100011218427 [0,0,0,0,0,2|1,0,1]=4 428 B10R1.66 CC(O)CSc1cscn1 62a_100011218427_100000751502 [0,0,0,0,0,2|1,0,1]=4 429 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100000751502_100009817552 [0,0,0,0,0,2|1,0,1]=4 430 B10R1.66 C[C@@H](O)CSc1cscn1 62a_100009817552_100000751502 [0,0,0,0,0,2|1,0,1]=4 431 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,0,0,0,0,2|2,0,0]=4 432 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,0,0,0,0,2|2,0,0]=4 433 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,0,2|2,0,0]=4 434 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,0,2|2,0,0]=4 435 B10R1.66 NC(=O)CSc1ccsc1 62a_100000738268_100000747473 [0,0,0,0,0,2|2,0,0]=4 436 B10R1.66 NC(=O)CSc1ccsc1 62a_100000747473_100000738268 [0,0,0,0,0,2|2,0,0]=4 437 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,0,2|1,0,0]=3 438 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,0,2|1,0,0]=3 439 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,0,0,0,0,2|1,0,1]=4 440 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,0,2|1,0,1]=4 441 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,0,2|1,0,1]=4 442 B10R1.66 O=C([O-])CSc1ccsc1 62a_100000738268_100020667443 [0,0,0,0,0,2|1,0,1]=4 443 B10R1.66 O=C([O-])CSc1ccsc1 62a_100020667443_100000738268 [0,0,0,0,0,2|1,0,1]=4 444 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,0,2|0,0,1]=3 445 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,0,2|0,0,1]=3 446 B10R1.66 O=[N+]([O-])CSc1cscn1 62a_100000751502_100000761209 [0,0,0,0,0,2|1,0,1]=4 447 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,2|2,0,0]=4 448 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,2|2,0,0]=4 449 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,2|1,0,0]=3 450 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,2|2,0,0]=4