0 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,0,0,0|2,0,0]=2 14 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,0,0,0|3,0,1]=4 20 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,1,0,0,0,0|0,0,1]=2 22 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [0,1,0,0,0,0|2,0,1]=4 25 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,1,0,0,0,0|2,0,1]=4 26 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,1,0,0,0,0|1,0,2]=4 31 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [0,1,0,0,0,0|1,0,1]=3 32 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [0,1,0,0,0,0|1,0,1]=3 33 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [0,1,0,0,0,0|1,0,2]=4 37 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,1,0,0,0,0|1,0,1]=3 38 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,1,0,0,0,0|0,0,0]=1 42 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,1,0,0,0,0|0,0,0]=1 43 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,0,0,0|1,0,1]=3 62 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,0,0,0|1,0,1]=3 63 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,1,0,0,0,0|1,0,1]=3 64 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,1,0,0,0,0|1,0,1]=3 65 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [0,1,0,0,0,0|1,0,0]=2 72 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [0,1,0,0,0,0|1,0,0]=2 73 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [0,1,0,0,0,0|1,0,1]=3 80 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [0,1,0,0,0,0|1,0,1]=3 81 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,1,0,0,0,0|0,0,0]=1 86 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,1,0,0,0,0|0,0,0]=1 87 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,0,0,0|2,0,0]=3 100 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,0,0,0|2,0,0]=3 101 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,1,0,0,0,0|2,0,0]=3 103 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,1,0,0,0,0|2,0,0]=3 104 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,1,0,0,0,0|2,0,0]=3 105 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,0,0,0|1,0,1]=3 106 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,0,0,0|1,0,1]=3 107 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,1,0,0,0,0|1,0,1]=3 108 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,1,0,0,0,0|1,0,1]=3 109 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,1,0,0,0,0|2,0,1]=4 111 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,1,0,0,0,0|2,0,1]=4 112 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,1,0,0,0,0|2,0,1]=4 113 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,1,0,0,0,0|1,0,0]=2 114 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,1,0,0,0,0|1,0,0]=2 115 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [0,1,0,0,0,0|1,0,0]=2 116 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [0,1,0,0,0,0|1,0,0]=2 117 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,1,0,0,0,0|2,0,0]=3 123 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [0,1,0,0,0,0|1,0,1]=3 124 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [0,1,0,0,0,0|1,0,1]=3 125 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,0,0,0|0,0,0]=1 129 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,0,0,0|2,0,1]=4 131 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,0,0,0|2,0,0]=3 132 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [0,1,0,0,0,0|2,0,0]=3 133 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,1,0,0,0,0|1,0,0]=2 134 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,1,0,0,0,0|1,0,0]=2 135 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,0,0,0|1,0,1]=3 136 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,0,0,0|2,0,0]=3 137 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,0,0,0|1,0,0]=2 138 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,0,0,0|2,0,0]=3 140 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [0,1,0,0,0,0|1,0,1]=3 141 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [0,1,0,0,0,0|1,0,1]=3 142 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,1,0,0,0,0|2,0,1]=4 145 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [0,1,0,0,0,0|1,0,1]=3 146 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,1,0,0,0,0|2,0,0]=3 148 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,1,0,0,0,0|2,0,0]=3 149 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,1,0,0,0,0|2,0,0]=3 150 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,0,0,0|2,0,0]=3 151 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,1,0,0,0,0|1,0,0]=2 152 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [0,1,0,0,0,0|1,0,1]=3 153 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,1,0,0,0,0|2,0,1]=4 154 B7R1.2 Cn1nnc(n1)O 271570a_203496583355_200009870515 [0,1,0,0,0,0|2,0,1]=4 155 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,1,0,0,0,0|3,0,0]=4 156 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.2 Nc1nc(n[nH]1)O 271570a_203496583355_100015184587 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,1,0,0,0,0|3,0,0]=4 160 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,0,0,0|2,0,1]=4 163 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,1,0,0,0,0|1,0,0]=2 164 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,0,0,0|2,0,0]=3 168 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,1,0,0,0,0|1,0,0]=2 169 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,0,0,0|2,0,1]=4 170 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,0,0,0|2,0,0]=3 171 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,1,0,0,0,0|1,0,1]=3 172 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,0,0,0|2,0,1]=4 173 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,1,0,0,0,0|1,0,2]=4 174 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,0,0,0|2,0,0]=3 175 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [0,1,0,0,0,0|1,0,1]=3 176 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,1,0,0,0,0|3,0,0]=4 177 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,1,0,0,0,0|3,0,0]=4 179 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,1,0,0,0,0|1,0,0]=2 180 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,1,0,0,0,0|3,0,0]=4 181 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,1,0,0,0,0|3,0,0]=4 182 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,1,0,0,0,0|3,0,0]=4 184 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,1,0,0,0,0|3,0,0]=4 185 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,1,0,0,0|1,0,2]=4 186 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,1,0,0,0|1,0,2]=4 187 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,1,0,0,0|1,0,2]=4 188 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,1,0,0,0|3,0,0]=4 189 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,1,0,0,0|3,0,0]=4 190 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,1,0,0,0|3,0,0]=4 191 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,1,0,0,0|3,0,0]=4 192 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,1,0,0,0|3,0,0]=4 193 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,1,0,0,0|3,0,0]=4 194 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,1,0,0,0|3,0,0]=4 195 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [0,0,1,0,0,0|2,0,1]=4 196 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [0,0,1,0,0,0|2,0,1]=4 197 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [0,0,1,0,0,0|2,0,1]=4 198 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [0,0,1,0,0,0|3,0,0]=4 199 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [0,0,1,0,0,0|3,0,0]=4 200 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [0,0,1,0,0,0|3,0,0]=4 201 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,1,0,0,0|2,0,1]=4 202 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,1,0,0,0|2,0,1]=4 203 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,1,0,0,0|2,0,1]=4 204 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [0,0,1,0,0,0|3,0,0]=4 205 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [0,0,1,0,0,0|3,0,0]=4 206 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [0,0,1,0,0,0|3,0,0]=4 207 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,1,0,0,0|1,0,2]=4 208 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,1,0,0,0|1,0,2]=4 209 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [0,0,1,0,0,0|3,0,0]=4 210 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [0,0,1,0,0,0|3,0,0]=4 211 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [0,0,1,0,0,0|3,0,0]=4 212 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [0,0,1,0,0,0|3,0,0]=4 213 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [0,0,1,0,0,0|3,0,0]=4 214 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [0,0,1,0,0,0|3,0,0]=4 215 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [0,0,1,0,0,0|3,0,0]=4 216 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,1,0,0,0|1,0,2]=4 217 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,1,0,0,0|1,0,2]=4 218 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,1,0,0,0|1,0,2]=4 219 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [0,0,1,0,0,0|3,0,0]=4 220 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [0,0,1,0,0,0|3,0,0]=4 221 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [0,0,1,0,0,0|3,0,0]=4 222 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [0,0,1,0,0,0|3,0,0]=4 223 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [0,0,1,0,0,0|3,0,0]=4 224 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [0,0,1,0,0,0|2,0,1]=4 225 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,0,0,0,1|3,0,0]=4 226 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,0,0,0,1|2,0,0]=3 227 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,0,0,0,1|2,0,0]=3 228 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,0,0,0,1|2,0,0]=3 229 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,0,0,0,0,1|2,0,1]=4 230 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [0,0,0,0,0,1|1,0,1]=3 231 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,0,0,0,0,1|2,0,1]=4 232 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,0,0,0,0,1|1,0,1]=3 233 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,0,0,0,0,1|1,0,1]=3 234 B7R1.3 Oc1cnnnc1 271570a_203496583355_100009846058 [0,0,0,0,0,1|2,0,1]=4 235 B7R1.3 Oc1ncccn1 271570a_203496583355_100000211032 [0,0,0,0,0,1|2,0,0]=3 236 B4R0.1 C=CC(=O)C 1458a_100000185746_200000210301 [1,0,1,0,0,0|1,0,0]=3 237 B4R0.1 C=CC(=O)[13CH3] 1458a_100000185746_200025704644 [1,0,1,0,0,0|1,0,0]=3 238 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,1,0,0,0|1,0,1]=4 239 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,1,0,0,0|1,0,1]=4 240 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,1,0,0,0|1,0,1]=4 241 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,1,0,0,0|1,0,1]=4 242 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,1,0,0,0|2,0,0]=4 243 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,1,0,0,0|2,0,0]=4 244 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,1,0,0,0|2,0,0]=4 245 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,1,0,0,0|2,0,0]=4 246 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,1,0,0,0|2,0,0]=4 247 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,1,0,0,0|2,0,0]=4 248 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,1,0,0,0|2,0,0]=4 249 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,1,0,0,0|2,0,0]=4 250 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,1,0,0,0|2,0,0]=4 251 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,1,0,0,0|2,0,0]=4 252 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,1,0,0,0|2,0,0]=4 253 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,1,1,0,0,0|2,0,0]=4 255 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,1,0,0,0|2,0,0]=4 256 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,1,0,0,0|2,0,0]=4 257 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,1,0,0,0|2,0,0]=4 258 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,1,0,0,0|1,0,1]=4 259 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,1,0,0,0|1,0,1]=4 260 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,1,1,0,0,0|1,0,1]=4 261 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,1,1,0,0,0|1,0,1]=4 262 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,1,0,0,0|1,0,1]=4 263 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,1,0,0,0|1,0,1]=4 264 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,1,0,0,0|1,0,1]=4 265 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [0,1,1,0,0,0|2,0,0]=4 266 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [0,1,1,0,0,0|2,0,0]=4 267 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,1,0,0,0|1,0,1]=4 268 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,1,1,0,0,0|2,0,0]=4 269 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,1,0,0,0|1,0,1]=4 270 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,1,0,0,0|1,0,1]=4 271 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,1,0,0,0|1,0,1]=4 272 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,1,0,0,0|1,0,1]=4 273 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,1,1,0,0,0|1,0,1]=4 274 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,1,0,0,0,1|1,0,1]=4 275 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,1,0,0,0,1|1,0,1]=4 276 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,1,0,0,0,1|1,0,1]=4 277 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,1,0,0,0,1|0,0,2]=4 278 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,1,0,0,0,1|0,0,2]=4 279 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [0,1,0,0,0,1|0,0,2]=4 280 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [0,1,0,0,0,1|1,0,1]=4 281 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,1,0,0,0,1|1,0,0]=3 283 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,1,0,0,0,1|0,0,1]=3 284 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,1,0,0,0,1|0,0,1]=3 285 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,1,0,0,0,1|1,0,0]=3 286 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,1,0,0,0,1|1,0,1]=4 291 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [0,1,0,0,0,1|1,0,1]=4 292 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [0,1,0,0,0,1|0,0,1]=3 293 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,1,0,0,0,1|1,0,0]=3 296 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,1,0,0,0,1|1,0,0]=3 297 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,1,0,0,0,1|1,0,0]=3 298 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,1,0,0,0,1|1,0,0]=3 299 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,1,0,0,0,1|1,0,0]=3 300 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,1,0,0,0,1|1,0,0]=3 301 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,1,0,0,0,1|1,0,1]=4 302 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,1,0,0,0,1|1,0,1]=4 303 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,1,0,0,0,1|0,0,1]=3 304 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,1,0,0,0,1|0,0,1]=3 305 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [0,1,0,0,0,1|1,0,1]=4 306 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [0,1,0,0,0,1|1,0,1]=4 307 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,1,0,0,0,1|0,0,1]=3 308 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,1,0,0,0,1|0,0,1]=3 309 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [0,1,0,0,0,1|0,0,1]=3 310 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [0,1,0,0,0,1|0,0,1]=3 311 B8R1.2 CSc1cnnnc1 62a_100009846058_200000210301 [0,1,0,0,0,1|1,0,1]=4 312 B8R1.2 CSc1cnnnc1 62a_200000210301_100009846058 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [0,1,0,0,0,1|1,0,0]=3 314 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [0,1,0,0,0,1|1,0,0]=3 315 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,1,0,0,0,1|2,0,0]=4 316 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,1,0,0,0,1|1,0,0]=3 319 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,1,0,0,0,1|1,0,1]=4 321 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [0,1,0,0,0,1|1,0,1]=4 322 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [0,1,0,0,0,1|0,0,1]=3 323 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,1,0,0,0,1|2,0,0]=4 324 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,1,0,0,0,1|2,0,0]=4 325 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,1,0,0,0,1|1,0,0]=3 326 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,1,0,0,0,1|1,0,0]=3 327 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,1,0,0,0,1|1,0,0]=3 328 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,1,0,0,0,1|1,0,0]=3 329 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,1,0,0,0,1|1,0,0]=3 330 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,1,0,0,0,1|1,0,0]=3 331 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,1,0,0,0,1|1,0,1]=4 332 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,1,0,0,0,1|1,0,1]=4 333 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,1,0,0,0,1|0,0,1]=3 334 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,1,0,0,0,1|0,0,1]=3 335 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [0,1,0,0,0,1|1,0,1]=4 336 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [0,1,0,0,0,1|1,0,1]=4 337 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,1,0,0,0,1|0,0,1]=3 338 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,1,0,0,0,1|0,0,1]=3 339 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [0,1,0,0,0,1|0,0,1]=3 340 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [0,1,0,0,0,1|0,0,1]=3 341 B8R1.2 [13CH3]Sc1cnnnc1 62a_100009846058_200025704644 [0,1,0,0,0,1|1,0,1]=4 342 B8R1.2 [13CH3]Sc1cnnnc1 62a_200025704644_100009846058 [0,1,0,0,0,1|1,0,1]=4 343 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [0,1,0,0,0,1|1,0,0]=3 345 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,0,0,1|1,0,1]=4 346 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,0,0,1|1,0,1]=4 347 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,0,0,1|1,0,1]=4 348 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,0,0,1|1,0,1]=4 349 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,0,0,1|1,0,1]=4 350 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,0,0,1|1,0,1]=4 351 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,1,0,0,0,1|2,0,0]=4 352 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,1,0,0,0,1|1,0,0]=3 353 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,1,0,0,0,1|1,0,0]=3 354 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,1,0,0,0,1|1,0,0]=3 355 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,1,0,0,0,1|0,0,1]=3 356 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,1,0,0,0,1|0,0,1]=3 357 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,1,0,0,0,1|1,0,0]=3 358 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [0,1,0,0,0,1|2,0,0]=4 359 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [0,1,0,0,0,1|2,0,0]=4 360 B8R1.3 Nc1ccc(nn1)O 271570a_203496583355_100009816609 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.3 Nc1cnc(cn1)O 271570a_203496583355_100000761932 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.3 Nc1cnc(nc1)O 271570a_203496583355_100000068403 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.3 Nc1ncc(cn1)O 271570a_203496583355_100000760574 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.3 Nc1ncc(nn1)O 271570a_203496583355_100000691435 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,1,0,0,0,1|2,0,0]=4 366 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [0,1,0,0,0,1|2,0,0]=4 367 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,1,0,0,0,1|1,0,0]=3 368 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [0,1,0,0,0,1|2,0,0]=4 369 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [0,1,0,0,0,1|2,0,0]=4 370 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [0,1,0,0,0,1|2,0,0]=4 371 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [0,1,0,0,0,1|2,0,0]=4 372 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [0,1,0,0,0,1|2,0,0]=4 373 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.3 Oc1cnc(cn1)F 271570a_203496583355_100009856528 [0,1,0,0,0,1|1,0,1]=4 376 B8R1.3 Oc1cnc(nc1)Br 271570a_203496583355_200012349914 [0,1,0,0,0,1|1,0,1]=4 377 B8R1.3 Oc1cnc(nc1)F 271570a_203496583355_100000685262 [0,1,0,0,0,1|1,0,1]=4 378 B8R1.3 Oc1cnc(nc1)O 271570a_203496583355_100000730009 [0,1,0,0,0,1|1,0,1]=4 379 B8R1.3 Oc1ncc(cn1)Br 271570a_203496583355_100000690281 [0,1,0,0,0,1|1,0,1]=4 380 B8R1.3 Oc1ncc(cn1)Cl 271570a_203496583355_100011356929 [0,1,0,0,0,1|1,0,1]=4 381 B8R1.3 Oc1ncc(cn1)F 271570a_203496583355_100000685220 [0,1,0,0,0,1|1,0,1]=4 382 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,1,0,0,0,1|1,0,0]=3 383 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,1,0,0,0,1|0,0,1]=3 384 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,1,0,0,0,1|1,0,1]=4 387 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,1,0,0,0,1|0,0,1]=3 388 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,1,0,0,0,1|1,0,0]=3 389 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,1,0,0,0,1|0,0,1]=3 390 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,1,0,0,0,1|1,0,1]=4 391 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,1,0,0,0,1|1,0,0]=3 392 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.4 Nc1cc(cnn1)O 271570a_203496583355_100000130277 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [0,1,0,0,0,1|1,0,1]=4 395 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,1,0,0,0,1|1,0,1]=4 398 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,1,0,0,0,1|1,0,1]=4 400 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,1,0,0,0,1|1,0,1]=4 401 B8R1.4 Nc1ncnc(n1)O 271570a_203496583355_100000123831 [0,1,0,0,0,1|1,0,1]=4 402 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,1,0,0,0,1|1,0,0]=3 405 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.4 Oc1cc(ncn1)F 271570a_203496583355_200009880791 [0,1,0,0,0,1|1,0,1]=4 408 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [0,1,0,0,0,1|1,0,1]=4 409 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,1,0,0,0,1|1,0,1]=4 416 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,1,0,0,0,1|1,0,1]=4 421 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,1,0,0,0,1|1,0,1]=4 422 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.4 [O-][n+]1ccnc(c1)O 271570a_203496583355_100009880115 [0,1,0,0,0,1|1,0,1]=4 424 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,1,0,0,0,1|1,0,1]=4 427 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,1,0,0,0,1|1,0,1]=4 428 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,1,0,0,0,1|0,0,1]=3 430 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,1,0,0,0,1|0,0,1]=3 432 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,1,0,0,0,1|0,0,1]=3 433 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,1,0,0,0,1|2,0,0]=4 434 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,1,0,0,0,1|1,0,1]=4 437 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,1,0,0,0,1|1,0,1]=4 439 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,1,0,0,0,1|1,0,1]=4 440 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,1,0,0,0,1|2,0,0]=4 441 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [0,1,0,0,0,1|2,0,0]=4 443 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,1,0,0,0,1|2,0,0]=4 449 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [0,1,0,0,0,1|2,0,0]=4 450 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [0,1,0,0,0,1|2,0,0]=4 451 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [0,1,0,0,0,1|2,0,0]=4 452 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.5 Oc1cncnc1Br 271570a_203496583355_200012461658 [0,1,0,0,0,1|1,0,1]=4 457 B8R1.5 Oc1cncnc1Cl 271570a_203496583355_100000758962 [0,1,0,0,0,1|1,0,1]=4 458 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [0,1,0,0,0,1|1,0,1]=4 463 B8R1.5 Oc1ncncc1F 271570a_203496583355_100000069762 [0,1,0,0,0,1|1,0,1]=4 464 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [0,2,0,0,0,0|0,0,1]=3 465 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.1 C=Cc1cc(ns1)C 271570a_100011290941_100009815735 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,2,0,0,0,0|2,0,0]=4 468 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.1 C=Cc1cn(cn1)C 271570a_100011290941_100000040308 [0,2,0,0,0,0|0,0,1]=3 470 B8R1.1 C=Cc1cn(nn1)C 271570a_100011290941_100000760339 [0,2,0,0,0,0|1,0,1]=4 471 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,2,0,0,0,0|1,0,1]=4 475 B8R1.1 C=Cc1csc(n1)N 271570a_100011290941_100011998049 [0,2,0,0,0,0|1,0,1]=4 476 B8R1.1 C=Cc1n[nH]c(n1)C 271570a_100011290941_100000732540 [0,2,0,0,0,0|1,0,1]=4 477 B8R1.1 C=Cc1n[nH]c(n1)N 271570a_100011290941_100015184587 [0,2,0,0,0,0|1,0,1]=4 478 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,2,0,0,0,0|0,0,0]=2 479 B8R1.1 C=Cc1nc(cs1)Br 271570a_100011290941_200016082925 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,2,0,0,0,0|1,0,0]=3 481 B8R1.1 C=Cc1nc(cs1)N 271570a_100011290941_200015188442 [0,2,0,0,0,0|2,0,0]=4 482 B8R1.1 C=Cc1nc(ns1)C 271570a_100011290941_100000709739 [0,2,0,0,0,0|2,0,0]=4 483 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,2,0,0,0,0|1,0,1]=4 484 B8R1.1 C=Cc1ncn(n1)C 271570a_100011290941_100009819955 [0,2,0,0,0,0|1,0,1]=4 485 B8R1.1 C=Cc1noc(n1)C 271570a_100011290941_100012003639 [0,2,0,0,0,0|1,0,1]=4 486 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,2,0,0,0,0|1,0,1]=4 489 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [0,2,0,0,0,0|1,0,1]=4 490 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,2,0,0,0,0|1,0,1]=4 491 B8R1.1 CCc1noc(n1)O 270196a_200000212204_100015183105 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,2,0,0,0,0|2,0,0]=4 493 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,2,0,0,0,0|1,0,0]=3 496 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [0,2,0,0,0,0|1,0,1]=4 497 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [0,2,0,0,0,0|1,0,1]=4 498 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,2,0,0,0,0|2,0,0]=4 502 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,2,0,0,0,0|0,0,0]=2 503 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,2,0,0,0,0|0,0,0]=2 504 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,2,0,0,0,0|2,0,0]=4 505 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,2,0,0,0,0|2,0,0]=4 506 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,2,0,0,0,0|2,0,0]=4 507 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,2,0,0,0,0|2,0,0]=4 508 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,2,0,0,0,0|2,0,0]=4 509 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,2,0,0,0,0|2,0,0]=4 510 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,2,0,0,0,0|2,0,0]=4 515 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,2,0,0,0,0|2,0,0]=4 516 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,2,0,0,0,0|2,0,0]=4 517 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,2,0,0,0,0|2,0,0]=4 518 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,2,0,0,0,0|2,0,0]=4 519 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [0,2,0,0,0,0|0,0,0]=2 522 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [0,2,0,0,0,0|0,0,0]=2 523 B8R1.1 CSc1cn(nn1)C 62a_100000760339_200000210301 [0,2,0,0,0,0|1,0,0]=3 524 B8R1.1 CSc1cn(nn1)C 62a_200000210301_100000760339 [0,2,0,0,0,0|1,0,0]=3 525 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,2,0,0,0,0|1,0,1]=4 526 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,2,0,0,0,0|1,0,1]=4 527 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,2,0,0,0,0|1,0,1]=4 528 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,2,0,0,0,0|1,0,1]=4 529 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,2,0,0,0,0|1,0,1]=4 530 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,2,0,0,0,0|1,0,1]=4 531 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,2,0,0,0,0|2,0,0]=4 532 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,2,0,0,0,0|2,0,0]=4 533 B8R1.1 CSc1cnn(n1)C 62a_100000733932_200000210301 [0,2,0,0,0,0|1,0,1]=4 534 B8R1.1 CSc1cnn(n1)C 62a_200000210301_100000733932 [0,2,0,0,0,0|1,0,1]=4 535 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,2,0,0,0,0|2,0,0]=4 536 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,2,0,0,0,0|2,0,0]=4 537 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,2,0,0,0,0|1,0,0]=3 538 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,2,0,0,0,0|1,0,0]=3 539 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [0,2,0,0,0,0|1,0,0]=3 540 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [0,2,0,0,0,0|1,0,0]=3 541 B8R1.1 CSc1n[nH]c(n1)C 62a_100000732540_200000210301 [0,2,0,0,0,0|1,0,0]=3 542 B8R1.1 CSc1n[nH]c(n1)C 62a_200000210301_100000732540 [0,2,0,0,0,0|1,0,0]=3 543 B8R1.1 CSc1n[nH]c(n1)N 62a_100015184587_200000210301 [0,2,0,0,0,0|1,0,0]=3 544 B8R1.1 CSc1n[nH]c(n1)N 62a_200000210301_100015184587 [0,2,0,0,0,0|1,0,0]=3 545 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,2,0,0,0,0|0,0,0]=2 546 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,2,0,0,0,0|0,0,0]=2 547 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [0,2,0,0,0,0|2,0,0]=4 548 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [0,2,0,0,0,0|2,0,0]=4 549 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,2,0,0,0,0|1,0,0]=3 550 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,2,0,0,0,0|1,0,0]=3 551 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [0,2,0,0,0,0|2,0,0]=4 554 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [0,2,0,0,0,0|1,0,1]=4 555 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [0,2,0,0,0,0|1,0,1]=4 556 B8R1.1 CSc1nc(ns1)O 271570a_203496583355_200010005773 [0,2,0,0,0,0|1,0,1]=4 557 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,2,0,0,0,0|1,0,1]=4 558 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,2,0,0,0,0|1,0,1]=4 559 B8R1.1 CSc1ncn(n1)C 62a_100009819955_200000210301 [0,2,0,0,0,0|1,0,0]=3 560 B8R1.1 CSc1ncn(n1)C 62a_200000210301_100009819955 [0,2,0,0,0,0|1,0,0]=3 561 B8R1.1 CSc1nnn(n1)C 62a_200000210301_200009870515 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.1 CSc1nnn(n1)C 62a_200009870515_200000210301 [0,2,0,0,0,0|2,0,0]=4 563 B8R1.1 CSc1noc(n1)C 62a_100012003639_200000210301 [0,2,0,0,0,0|1,0,1]=4 564 B8R1.1 CSc1noc(n1)C 62a_200000210301_100012003639 [0,2,0,0,0,0|1,0,1]=4 565 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,2,0,0,0,0|0,0,0]=2 566 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,2,0,0,0,0|0,0,0]=2 567 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,2,0,0,0,0|2,0,0]=4 568 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,2,0,0,0,0|2,0,0]=4 569 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,2,0,0,0,0|2,0,0]=4 573 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,2,0,0,0,0|2,0,0]=4 575 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,2,0,0,0,0|2,0,0]=4 576 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,2,0,0,0,0|2,0,0]=4 577 B8R1.1 Cc1cn(nn1)CF 274090a_100015361967_200000242740 [0,2,0,0,0,0|1,0,0]=3 578 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,2,0,0,0,0|1,0,1]=4 579 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,2,0,0,0,0|1,0,1]=4 580 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,2,0,0,0,0|2,0,0]=4 581 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,2,0,0,0,0|2,0,0]=4 582 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,2,0,0,0,0|1,0,0]=3 583 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,2,0,0,0,0|1,0,0]=3 584 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,2,0,0,0,0|0,0,0]=2 585 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,2,0,0,0,0|0,0,0]=2 586 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,2,0,0,0,0|1,0,0]=3 587 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,2,0,0,0,0|1,0,0]=3 588 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_100000732540_200025704644 [0,2,0,0,0,0|1,0,0]=3 589 B8R1.1 Cc1nc(n[nH]1)S[13CH3] 62a_200025704644_100000732540 [0,2,0,0,0,0|1,0,0]=3 590 B8R1.1 Cc1nc(no1)CF 270196a_200000032654_100000070787 [0,2,0,0,0,0|1,0,1]=4 591 B8R1.1 Cc1nc(no1)S[13CH3] 62a_100012003639_200025704644 [0,2,0,0,0,0|1,0,1]=4 592 B8R1.1 Cc1nc(no1)S[13CH3] 62a_200025704644_100012003639 [0,2,0,0,0,0|1,0,1]=4 593 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,2,0,0,0,0|1,0,1]=4 594 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,2,0,0,0,0|1,0,1]=4 595 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,2,0,0,0,0|1,0,1]=4 596 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [0,2,0,0,0,0|1,0,1]=4 597 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [0,2,0,0,0,0|1,0,1]=4 598 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,2,0,0,0,0|2,0,0]=4 599 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,2,0,0,0,0|2,0,0]=4 600 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,2,0,0,0,0|2,0,0]=4 601 B8R1.1 Cn1cc(nn1)CBr 274090a_200000210301_100000184674 [0,2,0,0,0,0|1,0,0]=3 602 B8R1.1 Cn1cc(nn1)CCl 274090a_200000210301_100000038162 [0,2,0,0,0,0|1,0,0]=3 603 B8R1.1 Cn1cc(nn1)CN 274090a_200000210301_100000212058 [0,2,0,0,0,0|1,0,0]=3 604 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [0,2,0,0,0,0|1,0,0]=3 605 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_100000760339_200025704644 [0,2,0,0,0,0|1,0,0]=3 606 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_200025704644_100000760339 [0,2,0,0,0,0|1,0,0]=3 607 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,2,0,0,0,0|2,0,0]=4 608 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,2,0,0,0,0|2,0,0]=4 609 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,2,0,0,0,0|2,0,0]=4 610 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [0,2,0,0,0,0|0,0,0]=2 611 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [0,2,0,0,0,0|0,0,0]=2 612 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_100009819955_200025704644 [0,2,0,0,0,0|1,0,0]=3 613 B8R1.1 Cn1cnc(n1)S[13CH3] 62a_200025704644_100009819955 [0,2,0,0,0,0|1,0,0]=3 614 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_100000733932_200025704644 [0,2,0,0,0,0|1,0,1]=4 615 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_200025704644_100000733932 [0,2,0,0,0,0|1,0,1]=4 616 B8R1.1 Cn1nnc(n1)S[13CH3] 62a_200009870515_200025704644 [0,2,0,0,0,0|2,0,0]=4 617 B8R1.1 Cn1nnc(n1)S[13CH3] 62a_200025704644_200009870515 [0,2,0,0,0,0|2,0,0]=4 618 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,2,0,0,0,0|2,0,0]=4 619 B8R1.1 N#Cc1csc(n1)O 271570a_203496583355_100009819631 [0,2,0,0,0,0|1,0,1]=4 620 B8R1.1 N#Cc1n[nH]c(n1)O 271570a_203496583355_200010752602 [0,2,0,0,0,0|1,0,1]=4 621 B8R1.1 N#Cc1nc(cs1)O 271570a_203496583355_100009819034 [0,2,0,0,0,0|2,0,0]=4 622 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,2,0,0,0,0|2,0,0]=4 623 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,2,0,0,0,0|2,0,0]=4 624 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,2,0,0,0,0|1,0,1]=4 625 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,2,0,0,0,0|2,0,0]=4 626 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,2,0,0,0,0|1,0,1]=4 627 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [0,2,0,0,0,0|1,0,1]=4 628 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,2,0,0,0,0|2,0,0]=4 630 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,2,0,0,0,0|2,0,0]=4 631 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,2,0,0,0,0|2,0,0]=4 632 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,2,0,0,0,0|1,0,1]=4 633 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,2,0,0,0,0|1,0,0]=3 634 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,2,0,0,0,0|2,0,0]=4 635 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,2,0,0,0,0|2,0,0]=4 636 B8R1.1 Oc1nc(no1)CF 270196a_200000032654_100015183105 [0,2,0,0,0,0|2,0,0]=4 637 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,2,0,0,0,0|2,0,0]=4 640 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,2,0,0,0,0|1,0,1]=4 642 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,2,0,0,0,0|1,0,1]=4 643 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,2,0,0,0,0|1,0,1]=4 644 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,2,0,0,0,0|1,0,1]=4 645 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [0,2,0,0,0,0|1,0,0]=3 647 B8R1.1 [13CH3]Sc1n[nH]c(n1)N 62a_100015184587_200025704644 [0,2,0,0,0,0|1,0,0]=3 648 B8R1.1 [13CH3]Sc1n[nH]c(n1)N 62a_200025704644_100015184587 [0,2,0,0,0,0|1,0,0]=3 649 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.1 [13CH3]n1cc(nn1)CBr 274090a_200025704644_100000184674 [0,2,0,0,0,0|1,0,0]=3 654 B8R1.1 [13CH3]n1cc(nn1)CCl 274090a_200025704644_100000038162 [0,2,0,0,0,0|1,0,0]=3 655 B8R1.1 [13CH3]n1cc(nn1)CN 274090a_200025704644_100000212058 [0,2,0,0,0,0|1,0,0]=3 656 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [0,2,0,0,0,0|1,0,0]=3 657 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,2,0,0,0,0|0,0,0]=2 658 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,2,0,0,0,0|2,0,0]=4 661 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,2,0,0,0,0|2,0,0]=4 662 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,2,0,0,0,0|2,0,0]=4 664 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,2,0,0,0,0|1,0,1]=4 666 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,2,0,0,0,0|1,0,1]=4 667 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,2,0,0,0,0|1,0,0]=3 668 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,2,0,0,0,0|1,0,0]=3 669 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,2,0,0,0,0|2,0,0]=4 670 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,2,0,0,0,0|2,0,0]=4 671 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,2,0,0,0,0|2,0,0]=4 672 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,2,0,0,0,0|1,0,1]=4 673 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [0,2,0,0,0,0|1,0,1]=4 674 B8R1.8 C=C=Cc1c[nH]cn1 271570a_100015277604_100000756875 [0,2,0,0,0,0|0,0,1]=3 675 B8R1.8 C=C=Cc1cscn1 271570a_100015277604_100000751502 [0,2,0,0,0,0|1,0,1]=4 676 B8R1.8 C=C=Cc1nc[nH]n1 271570a_100015277604_100000761765 [0,2,0,0,0,0|1,0,1]=4 677 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [0,2,0,0,0,0|0,0,0]=2 678 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,2,0,0,0,0|2,0,0]=4 679 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,2,0,0,0,0|2,0,0]=4 680 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,2,0,0,0,0|2,0,0]=4 681 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,2,0,0,0,0|2,0,0]=4 682 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,2,0,0,0,0|2,0,0]=4 683 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.8 CC=Cc1cn[nH]c1 271570a_100016259895_100000238712 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,2,0,0,0,0|1,0,1]=4 686 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,2,0,0,0,0|1,0,1]=4 687 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [0,2,0,0,0,0|1,0,0]=3 688 B8R1.8 CC=Cc1nc[nH]n1 271570a_100016259895_100000761765 [0,2,0,0,0,0|1,0,0]=3 689 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [0,2,0,0,0,0|2,0,0]=4 690 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.8 CC=Cc1ncns1 271570a_100016259895_100000693119 [0,2,0,0,0,0|1,0,1]=4 693 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [0,2,0,0,0,0|1,0,1]=4 694 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,2,0,0,0,0|0,0,0]=2 697 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,2,0,0,0,0|0,0,0]=2 698 B8R1.8 CCSc1c[nH]nn1 62a_100000210202_100009819707 [0,2,0,0,0,0|1,0,0]=3 699 B8R1.8 CCSc1c[nH]nn1 62a_100009819707_100000210202 [0,2,0,0,0,0|1,0,0]=3 700 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,2,0,0,0,0|2,0,0]=4 703 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,2,0,0,0,0|2,0,0]=4 704 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,2,0,0,0,0|2,0,0]=4 705 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,2,0,0,0,0|2,0,0]=4 707 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,2,0,0,0,0|2,0,0]=4 708 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,2,0,0,0,0|2,0,0]=4 710 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,2,0,0,0,0|2,0,0]=4 713 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,2,0,0,0,0|2,0,0]=4 714 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,2,0,0,0,0|2,0,0]=4 715 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,2,0,0,0,0|1,0,1]=4 717 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,2,0,0,0,0|1,0,1]=4 718 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,2,0,0,0,0|1,0,1]=4 719 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,2,0,0,0,0|1,0,1]=4 720 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,2,0,0,0,0|1,0,0]=3 721 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,2,0,0,0,0|1,0,0]=3 722 B8R1.8 CCSc1nc[nH]n1 62a_100000210202_100000761765 [0,2,0,0,0,0|1,0,0]=3 723 B8R1.8 CCSc1nc[nH]n1 62a_100000761765_100000210202 [0,2,0,0,0,0|1,0,0]=3 724 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,2,0,0,0,0|2,0,0]=4 726 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,2,0,0,0,0|2,0,0]=4 727 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,2,0,0,0,0|2,0,0]=4 729 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [0,2,0,0,0,0|1,0,1]=4 731 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [0,2,0,0,0,0|1,0,1]=4 732 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,2,0,0,0,0|0,0,0]=2 733 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,2,0,0,0,0|0,0,0]=2 734 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,2,0,0,0,0|2,0,0]=4 735 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,2,0,0,0,0|2,0,0]=4 737 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,2,0,0,0,0|2,0,0]=4 738 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,2,0,0,0,0|2,0,0]=4 744 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,2,0,0,0,0|2,0,0]=4 745 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,2,0,0,0,0|2,0,0]=4 746 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,2,0,0,0,0|2,0,0]=4 747 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,2,0,0,0,0|2,0,0]=4 748 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,2,0,0,0,0|2,0,0]=4 749 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,2,0,0,0,0|2,0,0]=4 750 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,2,0,0,0,0|2,0,0]=4 751 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,2,0,0,0,0|2,0,0]=4 752 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,2,0,0,0,0|2,0,0]=4 753 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,2,0,0,0,0|2,0,0]=4 754 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,2,0,0,0,0|2,0,0]=4 755 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,2,0,0,0,0|2,0,0]=4 756 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,2,0,0,0,0|2,0,0]=4 757 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,2,0,0,0,0|2,0,0]=4 758 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,2,0,0,0,0|2,0,0]=4 759 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,2,0,0,0,0|0,0,2]=4 760 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,2,0,0,0,0|1,0,1]=4 761 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,2,0,0,0,0|1,0,1]=4 762 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,2,0,0,0,0|1,0,1]=4 763 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,2,0,0,0,0|1,0,1]=4 764 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,2,0,0,0,0|1,0,1]=4 765 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,2,0,0,0,0|1,0,1]=4 766 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,2,0,0,0,0|1,0,1]=4 767 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,2,0,0,0,0|1,0,0]=3 768 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,2,0,0,0,0|1,0,0]=3 769 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,2,0,0,0,0|1,0,0]=3 770 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,2,0,0,0,0|1,0,0]=3 771 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,2,0,0,0,0|1,0,0]=3 772 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,2,0,0,0,0|1,0,0]=3 773 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,2,0,0,0,0|1,0,0]=3 774 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,2,0,0,0,0|2,0,0]=4 777 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,2,0,0,0,0|2,0,0]=4 778 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,2,0,0,0,0|2,0,0]=4 779 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [0,2,0,0,0,0|2,0,0]=4 780 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [0,2,0,0,0,0|2,0,0]=4 781 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [0,2,0,0,0,0|2,0,0]=4 782 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [0,2,0,0,0,0|2,0,0]=4 783 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,2,0,0,0,0|2,0,0]=4 787 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,2,0,0,0,0|2,0,0]=4 788 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,2,0,0,0,0|2,0,0]=4 789 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,2,0,0,0,0|2,0,0]=4 790 B8R1.8 CNCc1ncon1 34a_100102657272_100000233494 [0,2,0,0,0,0|2,0,0]=4 791 B8R1.8 CNCn1cncn1 2230a_106832991635_200020645497 [0,2,0,0,0,0|1,0,1]=4 792 B8R1.8 CNCn1cncn1 34a_100102657272_200020645497 [0,2,0,0,0,0|1,0,1]=4 793 B8R1.8 CNCn1cncn1 7a_106832991635_200020645497 [0,2,0,0,0,0|1,0,1]=4 794 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,2,0,0,0,0|0,0,0]=2 795 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,2,0,0,0,0|2,0,0]=4 796 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,2,0,0,0,0|2,0,0]=4 797 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,2,0,0,0,0|2,0,0]=4 798 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,2,0,0,0,0|2,0,0]=4 799 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,2,0,0,0,0|2,0,0]=4 800 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,2,0,0,0,0|2,0,0]=4 801 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,2,0,0,0,0|1,0,1]=4 802 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,2,0,0,0,0|1,0,0]=3 803 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,2,0,0,0,0|2,0,0]=4 804 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [0,2,0,0,0,0|2,0,0]=4 805 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [0,2,0,0,0,0|2,0,0]=4 806 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [0,2,0,0,0,0|2,0,0]=4 807 B8R1.8 COCc1ncon1 34a_100138415774_100000233494 [0,2,0,0,0,0|2,0,0]=4 808 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [0,2,0,0,0,0|2,0,0]=4 809 B8R1.8 COCn1cncn1 34a_100138415774_200020645497 [0,2,0,0,0,0|1,0,1]=4 810 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,2,0,0,0,0|0,0,0]=2 811 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,2,0,0,0,0|0,0,0]=2 812 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,2,0,0,0,0|2,0,0]=4 813 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,2,0,0,0,0|2,0,0]=4 814 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,2,0,0,0,0|2,0,0]=4 815 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,2,0,0,0,0|2,0,0]=4 816 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,2,0,0,0,0|1,0,1]=4 817 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,2,0,0,0,0|1,0,1]=4 818 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,2,0,0,0,0|1,0,0]=3 819 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,2,0,0,0,0|1,0,0]=3 820 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,2,0,0,0,0|2,0,0]=4 821 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,2,0,0,0,0|2,0,0]=4 822 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,2,0,0,0,0|2,0,0]=4 823 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,2,0,0,0,0|2,0,0]=4 824 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [0,2,0,0,0,0|2,0,0]=4 825 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [0,2,0,0,0,0|2,0,0]=4 826 B8R1.8 CSCc1ncon1 62a_100000233494_200000210301 [0,2,0,0,0,0|2,0,0]=4 827 B8R1.8 CSCc1ncon1 62a_200000210301_100000233494 [0,2,0,0,0,0|2,0,0]=4 828 B8R1.8 CSCn1cncn1 62a_200000210301_200020645497 [0,2,0,0,0,0|1,0,1]=4 829 B8R1.8 CSCn1cncn1 62a_200020645497_200000210301 [0,2,0,0,0,0|1,0,1]=4 830 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,2,0,0,0,0|2,0,0]=4 831 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,2,0,0,0,0|2,0,0]=4 832 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,2,0,0,0,0|0,0,0]=2 833 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,2,0,0,0,0|0,0,0]=2 834 B8R1.8 FCSc1c[nH]nn1 62a_100009819707_100015361967 [0,2,0,0,0,0|1,0,0]=3 835 B8R1.8 FCSc1c[nH]nn1 62a_100015361967_100009819707 [0,2,0,0,0,0|1,0,0]=3 836 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,2,0,0,0,0|2,0,0]=4 837 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,2,0,0,0,0|2,0,0]=4 838 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,2,0,0,0,0|2,0,0]=4 839 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,2,0,0,0,0|2,0,0]=4 840 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,2,0,0,0,0|2,0,0]=4 841 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,2,0,0,0,0|2,0,0]=4 842 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,2,0,0,0,0|2,0,0]=4 843 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,2,0,0,0,0|2,0,0]=4 844 B8R1.8 FCSc1ccon1 62a_100009818083_100015361967 [0,2,0,0,0,0|2,0,0]=4 845 B8R1.8 FCSc1ccon1 62a_100015361967_100009818083 [0,2,0,0,0,0|2,0,0]=4 846 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,2,0,0,0,0|2,0,0]=4 847 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,2,0,0,0,0|2,0,0]=4 848 B8R1.8 FCSc1ccsn1 62a_100009818082_100015361967 [0,2,0,0,0,0|2,0,0]=4 849 B8R1.8 FCSc1ccsn1 62a_100015361967_100009818082 [0,2,0,0,0,0|2,0,0]=4 850 B8R1.8 FCSc1cn[nH]c1 62a_100000238712_100015361967 [0,2,0,0,0,0|2,0,0]=4 851 B8R1.8 FCSc1cn[nH]c1 62a_100015361967_100000238712 [0,2,0,0,0,0|2,0,0]=4 852 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,2,0,0,0,0|1,0,1]=4 853 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,2,0,0,0,0|1,0,1]=4 854 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,2,0,0,0,0|1,0,1]=4 855 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,2,0,0,0,0|1,0,1]=4 856 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [0,2,0,0,0,0|1,0,0]=3 857 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [0,2,0,0,0,0|1,0,0]=3 858 B8R1.8 FCSc1nc[nH]n1 62a_100000761765_100015361967 [0,2,0,0,0,0|1,0,0]=3 859 B8R1.8 FCSc1nc[nH]n1 62a_100015361967_100000761765 [0,2,0,0,0,0|1,0,0]=3 860 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,2,0,0,0,0|2,0,0]=4 861 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,2,0,0,0,0|2,0,0]=4 862 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [0,2,0,0,0,0|2,0,0]=4 865 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [0,2,0,0,0,0|2,0,0]=4 866 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [0,2,0,0,0,0|1,0,1]=4 867 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [0,2,0,0,0,0|1,0,1]=4 868 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,2,0,0,0,0|2,0,0]=4 869 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,2,0,0,0,0|2,0,0]=4 870 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,2,0,0,0,0|2,0,0]=4 871 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,2,0,0,0,0|2,0,0]=4 873 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,2,0,0,0,0|2,0,0]=4 874 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,2,0,0,0,0|2,0,0]=4 875 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,2,0,0,0,0|1,0,1]=4 876 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,2,0,0,0,0|1,0,0]=3 877 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [0,2,0,0,0,0|2,0,0]=4 878 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,2,0,0,0,0|2,0,0]=4 879 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,2,0,0,0,0|2,0,0]=4 882 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,2,0,0,0,0|2,0,0]=4 883 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [0,2,0,0,0,0|2,0,0]=4 884 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [0,2,0,0,0,0|2,0,0]=4 885 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,2,0,0,0,0|0,0,0]=2 886 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,2,0,0,0,0|0,0,0]=2 887 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,2,0,0,0,0|2,0,0]=4 888 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,2,0,0,0,0|2,0,0]=4 889 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,2,0,0,0,0|2,0,0]=4 890 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,2,0,0,0,0|2,0,0]=4 891 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,2,0,0,0,0|1,0,1]=4 892 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,2,0,0,0,0|1,0,1]=4 893 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,2,0,0,0,0|1,0,0]=3 894 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,2,0,0,0,0|1,0,0]=3 895 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,2,0,0,0,0|2,0,0]=4 896 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,2,0,0,0,0|2,0,0]=4 897 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,2,0,0,0,0|2,0,0]=4 898 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,2,0,0,0,0|2,0,0]=4 899 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [0,2,0,0,0,0|2,0,0]=4 900 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [0,2,0,0,0,0|2,0,0]=4 901 B8R1.8 [13CH3]SCc1ncon1 62a_100000233494_200025704644 [0,2,0,0,0,0|2,0,0]=4 902 B8R1.8 [13CH3]SCc1ncon1 62a_200025704644_100000233494 [0,2,0,0,0,0|2,0,0]=4 903 B8R1.8 [13CH3]SCn1cncn1 62a_200020645497_200025704644 [0,2,0,0,0,0|1,0,1]=4 904 B8R1.8 [13CH3]SCn1cncn1 62a_200025704644_200020645497 [0,2,0,0,0,0|1,0,1]=4 905 B8R1.11 C=Cc1[nH]cnc1Cl 271570a_100011290941_100010200774 [0,2,0,0,0,0|1,0,0]=3 906 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,2,0,0,0,0|2,0,0]=4 907 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,2,0,0,0,0|2,0,0]=4 908 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,2,0,0,0,0|2,0,0]=4 909 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [0,2,0,0,0,0|2,0,0]=4 910 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,2,0,0,0,0|2,0,0]=4 911 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [0,2,0,0,0,0|0,0,1]=3 912 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [0,2,0,0,0,0|1,0,1]=4 913 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,2,0,0,0,0|1,0,1]=4 914 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,2,0,0,0,0|2,0,0]=4 915 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [0,2,0,0,0,0|1,0,0]=3 916 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,2,0,0,0,0|2,0,0]=4 917 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,2,0,0,0,0|2,0,0]=4 918 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,2,0,0,0,0|2,0,0]=4 919 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [0,2,0,0,0,0|1,0,1]=4 920 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [0,2,0,0,0,0|1,0,1]=4 921 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,2,0,0,0,0|2,0,0]=4 922 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,2,0,0,0,0|2,0,0]=4 923 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [0,2,0,0,0,0|1,0,0]=3 924 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [0,2,0,0,0,0|1,0,0]=3 925 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [0,2,0,0,0,0|2,0,0]=4 926 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [0,2,0,0,0,0|2,0,0]=4 927 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [0,2,0,0,0,0|2,0,0]=4 928 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [0,2,0,0,0,0|2,0,0]=4 929 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [0,2,0,0,0,0|2,0,0]=4 930 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [0,2,0,0,0,0|2,0,0]=4 931 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [0,2,0,0,0,0|2,0,0]=4 933 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,2,0,0,0,0|2,0,0]=4 934 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,2,0,0,0,0|2,0,0]=4 935 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,2,0,0,0,0|2,0,0]=4 936 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,2,0,0,0,0|2,0,0]=4 937 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,2,0,0,0,0|0,0,2]=4 938 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,2,0,0,0,0|0,0,2]=4 939 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [0,2,0,0,0,0|2,0,0]=4 940 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [0,2,0,0,0,0|2,0,0]=4 941 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,2,0,0,0,0|2,0,0]=4 942 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,2,0,0,0,0|2,0,0]=4 944 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,2,0,0,0,0|2,0,0]=4 945 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,2,0,0,0,0|2,0,0]=4 946 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,2,0,0,0,0|2,0,0]=4 947 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,2,0,0,0,0|2,0,0]=4 948 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,2,0,0,0,0|2,0,0]=4 949 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,2,0,0,0,0|0,0,0]=2 950 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,2,0,0,0,0|0,0,0]=2 951 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,2,0,0,0,0|2,0,0]=4 952 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,2,0,0,0,0|2,0,0]=4 953 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [0,2,0,0,0,0|1,0,1]=4 954 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [0,2,0,0,0,0|1,0,1]=4 955 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,2,0,0,0,0|1,0,0]=3 956 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,2,0,0,0,0|1,0,0]=3 957 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,2,0,0,0,0|2,0,0]=4 958 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,2,0,0,0,0|2,0,0]=4 959 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,2,0,0,0,0|2,0,0]=4 960 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,2,0,0,0,0|2,0,0]=4 961 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,2,0,0,0,0|2,0,0]=4 962 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,2,0,0,0,0|1,0,0]=3 963 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,2,0,0,0,0|1,0,0]=3 964 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,2,0,0,0,0|0,0,0]=2 965 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,2,0,0,0,0|0,0,0]=2 966 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,2,0,0,0,0|2,0,0]=4 967 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,2,0,0,0,0|2,0,0]=4 968 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,2,0,0,0,0|2,0,0]=4 969 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,2,0,0,0,0|2,0,0]=4 970 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,2,0,0,0,0|2,0,0]=4 971 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,2,0,0,0,0|2,0,0]=4 972 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [0,2,0,0,0,0|2,0,0]=4 973 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [0,2,0,0,0,0|2,0,0]=4 974 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,2,0,0,0,0|1,0,0]=3 975 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,2,0,0,0,0|1,0,0]=3 976 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,2,0,0,0,0|2,0,0]=4 977 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,2,0,0,0,0|2,0,0]=4 978 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,2,0,0,0,0|1,0,0]=3 979 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,2,0,0,0,0|1,0,0]=3 980 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,2,0,0,0,0|2,0,0]=4 981 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,2,0,0,0,0|2,0,0]=4 982 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,2,0,0,0,0|0,0,2]=4 983 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,2,0,0,0,0|0,0,2]=4 984 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,2,0,0,0,0|2,0,0]=4 985 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,2,0,0,0,0|2,0,0]=4 986 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,2,0,0,0,0|2,0,0]=4 987 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [0,2,0,0,0,0|1,0,1]=4 988 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [0,2,0,0,0,0|1,0,1]=4 989 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,2,0,0,0,0|2,0,0]=4 990 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,2,0,0,0,0|2,0,0]=4 991 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,2,0,0,0,0|2,0,0]=4 992 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,2,0,0,0,0|2,0,0]=4 993 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,2,0,0,0,0|1,0,1]=4 994 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [0,2,0,0,0,0|1,0,0]=3 995 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [0,2,0,0,0,0|1,0,0]=3 996 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [0,2,0,0,0,0|2,0,0]=4 997 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [0,2,0,0,0,0|2,0,0]=4 998 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [0,2,0,0,0,0|2,0,0]=4 999 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [0,2,0,0,0,0|2,0,0]=4 1000 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [0,2,0,0,0,0|2,0,0]=4 1001 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [0,2,0,0,0,0|2,0,0]=4 1002 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [0,2,0,0,0,0|2,0,0]=4 1003 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [0,2,0,0,0,0|2,0,0]=4 1004 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,2,0,0,0,0|2,0,0]=4 1005 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,2,0,0,0,0|2,0,0]=4 1006 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,2,0,0,0,0|2,0,0]=4 1007 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,2,0,0,0,0|2,0,0]=4 1008 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,2,0,0,0,0|2,0,0]=4 1009 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,2,0,0,0,0|2,0,0]=4 1010 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [0,2,0,0,0,0|2,0,0]=4 1011 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [0,2,0,0,0,0|2,0,0]=4 1012 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [0,2,0,0,0,0|2,0,0]=4 1013 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [0,2,0,0,0,0|2,0,0]=4 1014 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [0,2,0,0,0,0|2,0,0]=4 1015 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,2,0,0,0,0|0,0,0]=2 1016 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,2,0,0,0,0|2,0,0]=4 1017 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,2,0,0,0,0|1,0,1]=4 1018 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,2,0,0,0,0|1,0,0]=3 1019 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,2,0,0,0,0|1,0,0]=3 1020 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,2,0,0,0,0|1,0,0]=3 1021 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,2,0,0,0,0|2,0,0]=4 1022 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,2,0,0,0,0|1,0,1]=4 1023 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [0,2,0,0,0,0|1,0,1]=4 1024 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [0,2,0,0,0,0|2,0,0]=4 1025 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [0,2,0,0,0,0|1,0,0]=3 1026 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [0,2,0,0,0,0|2,0,0]=4 1027 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [0,2,0,0,0,0|2,0,0]=4 1028 B8R1.18 Cn1nc(nc1N)O 271570a_203496583355_200010296169 [0,2,0,0,0,0|1,0,1]=4 1029 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,2,0,0,0,0|2,0,0]=4 1030 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,2,0,0,0,0|2,0,0]=4 1031 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,2,0,0,0,0|2,0,0]=4 1032 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,2,0,0,0,0|0,0,2]=4 1033 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,2,0,0,0,0|2,0,0]=4 1034 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,2,0,0,0,0|2,0,0]=4 1035 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,2,0,0,0,0|2,0,0]=4 1036 B8R1.50 Cc1nnn(c1O)C 271570a_203496583355_100016037793 [0,2,0,0,0,0|1,0,0]=3 1037 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,2,0,0,0,0|2,0,0]=4 1038 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,2,0,0,0,0|2,0,0]=4 1039 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,2,0,0,0,0|2,0,0]=4 1040 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,2,0,0,0,0|2,0,0]=4 1041 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,2,0,0,0,0|2,0,0]=4