0 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [0,0,0,0,0,0|0,0,2]=2 3 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [0,0,0,0,0,0|0,1,2]=3 4 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [0,0,0,0,0,0|2,0,2]=4 7 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,0,0,0,0,0|1,0,2]=3 8 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,0,0,0,0,0|1,1,2]=4 9 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [0,0,0,0,0,0|1,0,2]=3 12 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [0,0,0,0,0,0|1,1,2]=4 13 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,0,0,0,0,0|3,1,0]=4 16 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [0,0,0,0,0,0|1,1,0]=2 28 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [0,0,0,0,0,0|1,1,0]=2 29 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,0,0,0,0,0|4,0,0]=4 39 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,0,0,0,0,0|2,1,0]=3 42 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,0,0,0,0,0|2,1,0]=3 43 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [0,0,0,0,0,0|2,0,0]=2 54 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [0,0,0,0,0,0|2,1,0]=3 56 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [0,0,0,0,0,0|2,1,0]=3 57 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [0,0,0,0,0,0|3,1,0]=4 58 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [0,0,0,0,0,0|3,1,0]=4 59 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [0,0,0,0,0,0|3,1,0]=4 60 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [0,0,0,0,0,0|3,1,0]=4 61 B7R1.1 FCN1CC=CC1 269982a_100015195280_100015361967 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,0,0,0,0,0|3,0,0]=3 67 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,0,0,0,0,0|4,0,0]=4 69 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [0,0,0,0,0,0|1,0,0]=1 72 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [0,0,0,0,0,0|1,0,0]=1 73 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [0,0,0,0,0,0|1,1,0]=2 74 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [0,0,0,0,0,0|1,1,0]=2 75 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [0,0,0,0,0,0|3,0,0]=3 83 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,0,0,0,0,0|2,0,0]=2 87 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,0,0,0,0,0|2,1,0]=3 88 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,0,0,0,0,0|2,1,0]=3 89 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,0,0,0,0,0|4,0,0]=4 91 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,0,0,0,0,0|4,0,0]=4 92 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,0,0,0,0,0|4,0,0]=4 93 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [0,0,0,0,0,0|3,0,0]=3 95 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [0,0,0,0,0,0|3,0,0]=3 99 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [0,0,0,0,0,0|2,0,0]=2 100 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [0,0,0,0,0,0|2,0,0]=2 101 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [0,0,0,0,0,0|2,1,0]=3 102 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [0,0,0,0,0,0|2,1,0]=3 103 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [0,0,0,0,0,0|3,1,0]=4 104 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [0,0,0,0,0,0|3,1,0]=4 105 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [0,0,0,0,0,0|3,1,0]=4 106 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [0,0,0,0,0,0|3,1,0]=4 107 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [1,0,0,0,0,0|1,0,0]=2 111 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [1,0,0,0,0,0|1,1,0]=3 112 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [1,0,0,0,0,0|3,0,0]=4 114 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [1,0,0,0,0,0|3,0,0]=4 115 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [1,0,0,0,0,0|2,0,0]=3 116 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [1,0,0,0,0,0|2,1,0]=4 117 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [1,0,0,0,0,0|3,0,0]=4 119 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [1,0,0,0,0,0|2,0,0]=3 120 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [1,0,0,0,0,0|2,1,0]=4 121 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,1,0,0,0,0|0,1,2]=4 123 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,1,0,0,0,0|0,1,2]=4 124 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,1,0,0,0,0|0,1,2]=4 125 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,1,0,0,0,0|0,1,0]=2 126 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,1,0,0,0,0|0,1,0]=2 127 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.1 CCc1nc(no1)O 271570a_203496583355_100012003642 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.1 CCc1noc(n1)O 270196a_200000212204_100015183105 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.1 CCn1cnc(c1)O 271570a_203496583355_100010368372 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.1 CNc1nnc(o1)C 27a_100102657272_100000708914 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [0,1,0,0,0,0|2,1,0]=4 138 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [0,1,0,0,0,0|2,1,0]=4 139 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.1 CSc1cc([nH]n1)N 62a_100009822546_200000210301 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.1 CSc1cc([nH]n1)N 62a_200000210301_100009822546 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,1,0,0,0,0|1,1,0]=3 147 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.1 CSc1cc(ns1)C 62a_100009815735_200000210301 [0,1,0,0,0,0|2,1,0]=4 151 B8R1.1 CSc1cc(ns1)C 62a_200000210301_100009815735 [0,1,0,0,0,0|2,1,0]=4 152 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,1,0,0,0,0|1,1,0]=3 155 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,1,0,0,0,0|1,1,0]=3 156 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,1,0,0,0,0|1,1,0]=3 157 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,1,0,0,0,0|1,1,0]=3 158 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.1 CSc1cn(cn1)C 62a_100000040308_200000210301 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 CSc1cn(cn1)C 62a_200000210301_100000040308 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [0,1,0,0,0,0|2,1,0]=4 163 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [0,1,0,0,0,0|2,1,0]=4 164 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,1,0,0,0,0|2,1,0]=4 165 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [0,1,0,0,0,0|2,1,0]=4 167 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [0,1,0,0,0,0|2,1,0]=4 168 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.1 CSc1csc(n1)N 62a_100011998049_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.1 CSc1csc(n1)N 62a_200000210301_100011998049 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [0,1,0,0,0,0|2,1,0]=4 177 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [0,1,0,0,0,0|2,1,0]=4 178 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,1,0,0,0,0|2,1,0]=4 180 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [0,1,0,0,0,0|2,1,0]=4 181 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [0,1,0,0,0,0|2,1,0]=4 182 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [0,1,0,0,0,0|2,1,0]=4 183 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,1,0,0,0,0|2,1,0]=4 184 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,1,0,0,0,0|2,1,0]=4 185 B8R1.1 CSc1nnc(o1)C 62a_200000210301_100000708914 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_100009815735_200025704644 [0,1,0,0,0,0|2,1,0]=4 195 B8R1.1 Cc1cc(sn1)S[13CH3] 62a_200025704644_100009815735 [0,1,0,0,0,0|2,1,0]=4 196 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,1,0,0,0,0|1,1,0]=3 197 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,1,0,0,0,0|1,1,0]=3 198 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,1,0,0,0,0|2,1,0]=4 199 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,1,0,0,0,0|2,1,0]=4 200 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,1,0,0,0,0|1,1,0]=3 201 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,1,0,0,0,0|1,1,0]=3 202 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,1,0,0,0,0|2,1,0]=4 203 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,1,0,0,0,0|2,1,0]=4 204 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,1,0,0,0,0|2,1,0]=4 209 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,1,0,0,0,0|2,1,0]=4 210 B8R1.1 Cc1nnc(o1)S[13CH3] 62a_200025704644_100000708914 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_100000040308_200025704644 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.1 Cn1cnc(c1)S[13CH3] 62a_200025704644_100000040308 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,1,0,0,0,0|2,0,1]=4 218 B8R1.1 N#Cc1cc(cs1)O 271570a_203496583355_100000742465 [0,1,0,0,0,0|1,1,1]=4 219 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,1,0,0,0,0|1,0,1]=3 220 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,1,0,0,0,0|1,1,1]=4 221 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,1,0,0,0,0|1,0,0]=2 222 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,1,0,0,0,0|1,1,0]=3 223 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,1,0,0,0,0|2,1,0]=4 224 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,1,0,0,0,0|2,1,0]=4 225 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [0,1,0,0,0,0|1,0,1]=3 226 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [0,1,0,0,0,0|1,1,1]=4 227 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,1,0,0,0,0|1,0,1]=3 228 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,1,0,0,0,0|1,1,1]=4 229 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,1,0,0,0,0|1,1,0]=3 230 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,1,0,0,0,0|1,1,0]=3 232 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,1,0,0,0,0|2,1,0]=4 233 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,1,0,0,0,0|2,1,0]=4 235 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,1,0,0,0,0|2,1,0]=4 236 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_100009822546_200025704644 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.1 [13CH3]Sc1cc([nH]n1)N 62a_200025704644_100009822546 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,1,0,0,0,0|1,1,0]=3 241 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,1,0,0,0,0|1,1,0]=3 242 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [0,1,0,0,0,0|2,1,0]=4 243 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [0,1,0,0,0,0|2,1,0]=4 244 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [0,1,0,0,0,0|2,1,0]=4 245 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [0,1,0,0,0,0|2,1,0]=4 246 B8R1.1 [13CH3]Sc1csc(n1)N 62a_100011998049_200025704644 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.1 [13CH3]Sc1csc(n1)N 62a_200025704644_100011998049 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [0,1,0,0,0,0|2,1,0]=4 249 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [0,1,0,0,0,0|2,1,0]=4 250 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [0,1,0,0,0,0|2,1,0]=4 251 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [0,1,0,0,0,0|2,1,0]=4 252 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,1,0,0,0,0|2,0,1]=4 253 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,1,0,0,0,0|2,0,1]=4 254 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,1,0,0,0,0|0,0,1]=2 255 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,1,0,0,0,0|0,1,1]=3 256 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,1,0,0,0,0|2,0,1]=4 258 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,1,0,0,0,0|2,0,1]=4 259 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,1,0,0,0,0|1,0,1]=3 260 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,1,0,0,0,0|1,1,1]=4 261 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,1,0,0,0,0|1,0,1]=3 264 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,1,0,0,0,0|1,1,1]=4 265 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [0,1,0,0,0,0|2,0,1]=4 266 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [0,1,0,0,0,0|0,0,2]=3 267 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [0,1,0,0,0,0|0,1,2]=4 268 B8R1.8 C=C=Cc1cnco1 271570a_100015277604_100020591547 [0,1,0,0,0,0|1,0,2]=4 269 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [0,1,0,0,0,0|1,0,2]=4 270 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [0,1,0,0,0,0|2,0,1]=4 271 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [0,1,0,0,0,0|2,0,1]=4 272 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [0,1,0,0,0,0|0,0,1]=2 273 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [0,1,0,0,0,0|0,1,1]=3 274 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [0,1,0,0,0,0|2,0,1]=4 275 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [0,1,0,0,0,0|2,0,1]=4 276 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [0,1,0,0,0,0|2,0,1]=4 277 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [0,1,0,0,0,0|1,0,1]=3 278 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [0,1,0,0,0,0|1,1,1]=4 279 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [0,1,0,0,0,0|2,0,1]=4 280 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [0,1,0,0,0,0|2,0,1]=4 281 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [0,1,0,0,0,0|1,0,1]=3 282 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [0,1,0,0,0,0|1,1,1]=4 283 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [0,1,0,0,0,0|2,0,1]=4 284 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [0,1,0,0,0,0|1,0,2]=4 285 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [0,1,0,0,0,0|2,1,0]=4 286 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [0,1,0,0,0,0|2,1,0]=4 287 B8R1.8 CCOc1ccsc1 34a_100000106738_100000210202 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.8 CCOc1ccsc1 7a_100000106738_100000210202 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.8 CCSc1c[nH]cn1 62a_100000210202_100000756875 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.8 CCSc1c[nH]cn1 62a_100000756875_100000210202 [0,1,0,0,0,0|2,0,0]=3 291 B8R1.8 CCSc1c[nH]nn1 62a_100000210202_100009819707 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.8 CCSc1c[nH]nn1 62a_100009819707_100000210202 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.8 CCSc1cc[nH]n1 62a_100000062575_100000210202 [0,1,0,0,0,0|2,0,0]=3 294 B8R1.8 CCSc1cc[nH]n1 62a_100000210202_100000062575 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [0,1,0,0,0,0|0,0,0]=1 296 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [0,1,0,0,0,0|0,0,0]=1 297 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [0,1,0,0,0,0|0,1,0]=2 298 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [0,1,0,0,0,0|0,1,0]=2 299 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [0,1,0,0,0,0|2,0,0]=3 300 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [0,1,0,0,0,0|2,0,0]=3 301 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [0,1,0,0,0,0|2,0,0]=3 302 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [0,1,0,0,0,0|2,0,0]=3 303 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [0,1,0,0,0,0|2,0,0]=3 304 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.8 CCSc1ccsn1 62a_100000210202_100009818082 [0,1,0,0,0,0|2,0,0]=3 306 B8R1.8 CCSc1ccsn1 62a_100009818082_100000210202 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,1,0,0,0,0|3,0,0]=4 308 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,1,0,0,0,0|3,0,0]=4 309 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [0,1,0,0,0,0|1,0,0]=2 310 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [0,1,0,0,0,0|1,0,0]=2 311 B8R1.8 CCSc1cncs1 62a_100000210202_100011934649 [0,1,0,0,0,0|1,1,0]=3 312 B8R1.8 CCSc1cncs1 62a_100011934649_100000210202 [0,1,0,0,0,0|1,1,0]=3 313 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [0,1,0,0,0,0|3,0,0]=4 314 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [0,1,0,0,0,0|3,0,0]=4 315 B8R1.8 CCSc1cnsc1 62a_100000210202_100009815736 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.8 CCSc1cnsc1 62a_100009815736_100000210202 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.8 CCSc1cscn1 62a_100000210202_100000751502 [0,1,0,0,0,0|2,0,0]=3 318 B8R1.8 CCSc1cscn1 62a_100000751502_100000210202 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.8 CCSc1nc[nH]n1 62a_100000210202_100000761765 [0,1,0,0,0,0|3,0,0]=4 320 B8R1.8 CCSc1nc[nH]n1 62a_100000761765_100000210202 [0,1,0,0,0,0|3,0,0]=4 321 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [0,1,0,0,0,0|2,0,0]=3 322 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [0,1,0,0,0,0|1,0,0]=2 324 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [0,1,0,0,0,0|1,0,0]=2 325 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [0,1,0,0,0,0|1,1,0]=3 326 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [0,1,0,0,0,0|1,1,0]=3 327 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [0,1,0,0,0,0|2,1,0]=4 328 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [0,1,0,0,0,0|2,1,0]=4 329 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [0,1,0,0,0,0|2,1,0]=4 330 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [0,1,0,0,0,0|2,1,0]=4 331 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [0,1,0,0,0,0|2,0,0]=3 332 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [0,1,0,0,0,0|2,0,0]=3 333 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [0,1,0,0,0,0|2,0,0]=3 334 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [0,1,0,0,0,0|2,0,0]=3 335 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [0,1,0,0,0,0|0,0,0]=1 336 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [0,1,0,0,0,0|0,0,0]=1 337 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [0,1,0,0,0,0|0,0,0]=1 338 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [0,1,0,0,0,0|0,0,0]=1 339 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [0,1,0,0,0,0|0,1,0]=2 340 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [0,1,0,0,0,0|0,1,0]=2 341 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [0,1,0,0,0,0|0,1,0]=2 342 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [0,1,0,0,0,0|2,0,0]=3 343 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [0,1,0,0,0,0|2,0,0]=3 344 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [0,1,0,0,0,0|2,0,0]=3 345 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [0,1,0,0,0,0|2,0,0]=3 346 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [0,1,0,0,0,0|2,0,0]=3 347 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [0,1,0,0,0,0|2,0,0]=3 348 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [0,1,0,0,0,0|2,0,0]=3 349 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [0,1,0,0,0,0|2,0,0]=3 350 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [0,1,0,0,0,0|2,0,0]=3 351 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [0,1,0,0,0,0|2,0,0]=3 352 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [0,1,0,0,0,0|2,0,0]=3 353 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [0,1,0,0,0,0|2,0,0]=3 355 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [0,1,0,0,0,0|2,0,0]=3 356 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [0,1,0,0,0,0|2,0,0]=3 357 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [0,1,0,0,0,0|2,0,0]=3 358 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [0,1,0,0,0,0|2,0,0]=3 359 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,1,0,0,0,0|3,0,0]=4 360 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,1,0,0,0,0|3,0,0]=4 361 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [0,1,0,0,0,0|2,0,0]=3 362 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [0,1,0,0,0,0|1,0,0]=2 363 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [0,1,0,0,0,0|1,1,0]=3 364 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [0,1,0,0,0,0|1,1,0]=3 365 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [0,1,0,0,0,0|1,1,0]=3 366 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [0,1,0,0,0,0|1,1,0]=3 367 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [0,1,0,0,0,0|1,1,0]=3 368 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [0,1,0,0,0,0|1,1,0]=3 369 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [0,1,0,0,0,0|2,0,0]=3 370 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [0,1,0,0,0,0|2,0,0]=3 371 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [0,1,0,0,0,0|2,0,0]=3 372 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [0,1,0,0,0,0|2,0,0]=3 373 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [0,1,0,0,0,0|2,0,0]=3 374 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [0,1,0,0,0,0|2,0,0]=3 375 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [0,1,0,0,0,0|2,0,0]=3 376 B8R1.8 CNCc1csnn1 270004a_106832991635_100000738508 [0,1,0,0,0,0|3,0,0]=4 377 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [0,1,0,0,0,0|2,0,0]=3 378 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [0,1,0,0,0,0|2,0,0]=3 379 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [0,1,0,0,0,0|2,0,0]=3 380 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [0,1,0,0,0,0|2,0,0]=3 381 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [0,1,0,0,0,0|1,0,0]=2 382 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [0,1,0,0,0,0|1,0,0]=2 383 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [0,1,0,0,0,0|1,0,0]=2 384 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [0,1,0,0,0,0|1,0,0]=2 385 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [0,1,0,0,0,0|1,0,0]=2 386 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [0,1,0,0,0,0|1,1,0]=3 387 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [0,1,0,0,0,0|1,1,0]=3 388 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [0,1,0,0,0,0|1,1,0]=3 389 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [0,1,0,0,0,0|1,1,0]=3 390 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [0,1,0,0,0,0|1,1,0]=3 391 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [0,1,0,0,0,0|1,1,0]=3 392 B8R1.8 CNCc1ncon1 34a_100102657272_100000233494 [0,1,0,0,0,0|3,0,0]=4 393 B8R1.8 CNCc1nnc[nH]1 2230a_200015183720_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B8R1.8 CNCn1cncn1 2230a_106832991635_200020645497 [0,1,0,0,0,0|3,0,0]=4 395 B8R1.8 CNCn1cncn1 34a_100102657272_200020645497 [0,1,0,0,0,0|3,0,0]=4 396 B8R1.8 CNCn1cncn1 7a_106832991635_200020645497 [0,1,0,0,0,0|3,0,0]=4 397 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,1,0,0,0,0|1,0,2]=4 398 B8R1.8 COCN1CC=CC1 269982a_100015195280_100000766300 [0,1,0,0,0,0|2,0,1]=4 399 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [0,1,0,0,0,0|2,0,0]=3 400 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [0,1,0,0,0,0|0,0,0]=1 401 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [0,1,0,0,0,0|0,1,0]=2 402 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [0,1,0,0,0,0|2,0,0]=3 403 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [0,1,0,0,0,0|1,0,0]=2 404 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [0,1,0,0,0,0|2,0,0]=3 405 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [0,1,0,0,0,0|2,0,0]=3 406 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [0,1,0,0,0,0|2,0,0]=3 407 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [0,1,0,0,0,0|2,0,0]=3 408 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [0,1,0,0,0,0|1,1,0]=3 409 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [0,1,0,0,0,0|2,0,0]=3 410 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [0,1,0,0,0,0|2,0,0]=3 411 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [0,1,0,0,0,0|1,0,0]=2 412 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [0,1,0,0,0,0|1,0,0]=2 413 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [0,1,0,0,0,0|1,1,0]=3 414 B8R1.8 COCc1ncon1 34a_100138415774_100000233494 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B8R1.8 COCn1cncn1 34a_100138415774_200020645497 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [0,1,0,0,0,0|2,0,1]=4 418 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [0,1,0,0,0,0|2,0,0]=3 419 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [0,1,0,0,0,0|2,0,0]=3 420 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [0,1,0,0,0,0|2,0,0]=3 421 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [0,1,0,0,0,0|2,0,0]=3 422 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [0,1,0,0,0,0|2,0,0]=3 423 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [0,1,0,0,0,0|2,0,0]=3 424 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [0,1,0,0,0,0|2,0,0]=3 425 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [0,1,0,0,0,0|2,0,0]=3 426 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [0,1,0,0,0,0|1,1,0]=3 427 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [0,1,0,0,0,0|1,1,0]=3 428 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [0,1,0,0,0,0|2,0,0]=3 430 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [0,1,0,0,0,0|1,0,0]=2 433 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [0,1,0,0,0,0|1,0,0]=2 434 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [0,1,0,0,0,0|1,1,0]=3 435 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [0,1,0,0,0,0|1,1,0]=3 436 B8R1.8 CSCc1ncon1 62a_100000233494_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B8R1.8 CSCc1ncon1 62a_200000210301_100000233494 [0,1,0,0,0,0|3,0,0]=4 438 B8R1.8 CSCn1cncn1 62a_200000210301_200020645497 [0,1,0,0,0,0|3,0,0]=4 439 B8R1.8 CSCn1cncn1 62a_200020645497_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B8R1.8 FCCN1CC=CC1 269982a_100015195280_100011217306 [0,1,0,0,0,0|2,0,1]=4 441 B8R1.8 FCOc1ccsc1 34a_100000106738_100015361967 [0,1,0,0,0,0|3,0,0]=4 442 B8R1.8 FCOc1ccsc1 7a_100000106738_100015361967 [0,1,0,0,0,0|3,0,0]=4 443 B8R1.8 FCSc1c[nH]cn1 62a_100000756875_100015361967 [0,1,0,0,0,0|3,0,0]=4 444 B8R1.8 FCSc1c[nH]cn1 62a_100015361967_100000756875 [0,1,0,0,0,0|3,0,0]=4 445 B8R1.8 FCSc1cc[nH]n1 62a_100000062575_100015361967 [0,1,0,0,0,0|3,0,0]=4 446 B8R1.8 FCSc1cc[nH]n1 62a_100015361967_100000062575 [0,1,0,0,0,0|3,0,0]=4 447 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [0,1,0,0,0,0|1,0,0]=2 448 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [0,1,0,0,0,0|1,0,0]=2 449 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [0,1,0,0,0,0|1,1,0]=3 450 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [0,1,0,0,0,0|1,1,0]=3 451 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [0,1,0,0,0,0|3,0,0]=4 452 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [0,1,0,0,0,0|3,0,0]=4 453 B8R1.8 FCSc1ccon1 62a_100009818083_100015361967 [0,1,0,0,0,0|3,0,0]=4 454 B8R1.8 FCSc1ccon1 62a_100015361967_100009818083 [0,1,0,0,0,0|3,0,0]=4 455 B8R1.8 FCSc1ccsc1 62a_100000738268_100015361967 [0,1,0,0,0,0|3,0,0]=4 456 B8R1.8 FCSc1ccsc1 62a_100015361967_100000738268 [0,1,0,0,0,0|3,0,0]=4 457 B8R1.8 FCSc1ccsn1 62a_100009818082_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B8R1.8 FCSc1ccsn1 62a_100015361967_100009818082 [0,1,0,0,0,0|3,0,0]=4 459 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [0,1,0,0,0,0|2,0,0]=3 461 B8R1.8 FCSc1cncs1 62a_100011934649_100015361967 [0,1,0,0,0,0|2,1,0]=4 462 B8R1.8 FCSc1cncs1 62a_100015361967_100011934649 [0,1,0,0,0,0|2,1,0]=4 463 B8R1.8 FCSc1cscn1 62a_100000751502_100015361967 [0,1,0,0,0,0|3,0,0]=4 464 B8R1.8 FCSc1cscn1 62a_100015361967_100000751502 [0,1,0,0,0,0|3,0,0]=4 465 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [0,1,0,0,0,0|3,0,0]=4 466 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [0,1,0,0,0,0|3,0,0]=4 467 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [0,1,0,0,0,0|2,0,0]=3 468 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [0,1,0,0,0,0|2,1,0]=4 470 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [0,1,0,0,0,0|2,1,0]=4 471 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [0,1,0,0,0,0|2,0,1]=4 472 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [0,1,0,0,0,0|0,0,0]=1 473 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [0,1,0,0,0,0|0,0,0]=1 474 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [0,1,0,0,0,0|0,1,0]=2 475 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [0,1,0,0,0,0|2,0,0]=3 479 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [0,1,0,0,0,0|1,1,0]=3 480 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [0,1,0,0,0,0|2,0,0]=3 481 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [0,1,0,0,0,0|1,0,0]=2 482 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [0,1,0,0,0,0|1,1,0]=3 483 B8R1.8 [13CH3]NCc1nnc[nH]1 2230a_200015183720_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,1,0,0,0,0|1,0,2]=4 485 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [0,1,0,0,0,0|0,0,0]=1 486 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [0,1,0,0,0,0|0,1,0]=2 487 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [0,1,0,0,0,0|1,0,0]=2 488 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [0,1,0,0,0,0|1,0,0]=2 491 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [0,1,0,0,0,0|2,0,0]=3 493 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [0,1,0,0,0,0|2,0,0]=3 494 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [0,1,0,0,0,0|2,0,0]=3 495 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [0,1,0,0,0,0|2,0,0]=3 496 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [0,1,0,0,0,0|2,0,0]=3 497 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [0,1,0,0,0,0|2,0,0]=3 498 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [0,1,0,0,0,0|2,0,0]=3 499 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [0,1,0,0,0,0|2,0,0]=3 500 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [0,1,0,0,0,0|1,1,0]=3 501 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [0,1,0,0,0,0|1,1,0]=3 502 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [0,1,0,0,0,0|2,0,0]=3 506 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [0,1,0,0,0,0|1,0,0]=2 507 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [0,1,0,0,0,0|1,0,0]=2 508 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [0,1,0,0,0,0|1,1,0]=3 509 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [0,1,0,0,0,0|1,1,0]=3 510 B8R1.8 [13CH3]SCc1ncon1 62a_100000233494_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.8 [13CH3]SCc1ncon1 62a_200025704644_100000233494 [0,1,0,0,0,0|3,0,0]=4 512 B8R1.8 [13CH3]SCn1cncn1 62a_200020645497_200025704644 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.8 [13CH3]SCn1cncn1 62a_200025704644_200020645497 [0,1,0,0,0,0|3,0,0]=4 514 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,1,0,0,0,0|0,1,2]=4 515 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,1,0,0,0,0|0,1,2]=4 516 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,1,0,0,0,0|1,0,2]=4 517 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,1,0,0,0,0|1,0,2]=4 518 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,1,0,0,0,0|1,0,2]=4 519 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,1,0,0,0,0|1,0,2]=4 520 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,1,0,0,0,0|1,0,2]=4 521 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,1,0,0,0,0|1,0,2]=4 522 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [0,1,0,0,0,0|2,0,0]=3 523 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [0,1,0,0,0,0|2,0,0]=3 524 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [0,1,0,0,0,0|3,0,0]=4 525 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [0,1,0,0,0,0|2,0,0]=3 526 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [0,1,0,0,0,0|3,0,0]=4 527 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,1,0,0,0,0|3,0,0]=4 528 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,1,0,0,0,0|3,0,0]=4 529 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [0,1,0,0,0,0|3,0,0]=4 530 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [0,1,0,0,0,0|3,0,0]=4 531 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,1,0,0,0,0|3,0,0]=4 532 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,1,0,0,0,0|3,0,0]=4 533 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,1,0,0,0,0|3,0,0]=4 534 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,1,0,0,0,0|3,0,0]=4 535 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,1,0,0,0,0|3,0,0]=4 536 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,1,0,0,0,0|3,0,0]=4 537 B8R1.11 CSc1cscc1Br 62a_100010143727_200000210301 [0,1,0,0,0,0|3,0,0]=4 538 B8R1.11 CSc1cscc1Br 62a_200000210301_100010143727 [0,1,0,0,0,0|3,0,0]=4 539 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,1,0,0,0,0|3,0,0]=4 541 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,1,0,0,0,0|3,0,0]=4 543 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,1,0,0,0,0|3,0,0]=4 544 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,1,0,0,0,0|3,0,0]=4 545 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,1,0,0,0,0|3,0,0]=4 546 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,1,0,0,0,0|3,0,0]=4 547 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [0,1,0,0,0,0|3,0,0]=4 548 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [0,1,0,0,0,0|3,0,0]=4 549 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,1,0,0,0,0|3,0,0]=4 550 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,1,0,0,0,0|3,0,0]=4 551 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [0,1,0,0,0,0|3,0,0]=4 553 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [0,1,0,0,0,0|1,1,0]=3 554 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [0,1,0,0,0,0|1,1,0]=3 555 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,1,0,0,0,0|1,1,0]=3 556 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,1,0,0,0,0|1,1,0]=3 557 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [0,1,0,0,0,0|1,1,0]=3 558 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [0,1,0,0,0,0|2,1,0]=4 559 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [0,1,0,0,0,0|2,1,0]=4 560 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [0,1,0,0,0,0|3,0,0]=4 561 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [0,1,0,0,0,0|3,0,0]=4 562 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,1,0,0,0,0|3,0,0]=4 563 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,1,0,0,0,0|3,0,0]=4 564 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,1,0,0,0,0|1,1,0]=3 565 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,1,0,0,0,0|1,1,0]=3 566 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,1,0,0,0,0|3,0,0]=4 568 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [0,1,0,0,0,0|2,1,0]=4 569 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [0,1,0,0,0,0|2,1,0]=4 570 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,1,0,0,0,0|3,0,0]=4 572 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [0,1,0,0,0,0|3,0,0]=4 574 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,1,0,0,0,0|3,0,0]=4 575 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,1,0,0,0,0|3,0,0]=4 576 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,1,0,0,0,0|3,0,0]=4 577 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,1,0,0,0,0|3,0,0]=4 578 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,1,0,0,0,0|3,0,0]=4 579 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,1,0,0,0,0|3,0,0]=4 580 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,1,0,0,0,0|3,0,0]=4 581 B8R1.11 N#Cc1sccc1O 271570a_203496583355_100011215142 [0,1,0,0,0,0|1,1,1]=4 582 B8R1.11 NCc1ccsc1O 271570a_203496583355_100000727803 [0,1,0,0,0,0|3,0,0]=4 583 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,1,0,0,0,0|1,0,1]=3 584 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,1,0,0,0,0|1,1,1]=4 585 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [0,1,0,0,0,0|3,0,0]=4 586 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [0,1,0,0,0,0|3,0,0]=4 587 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [0,1,0,0,0,0|1,1,0]=3 588 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [0,1,0,0,0,0|2,1,0]=4 589 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [0,1,0,0,0,0|3,0,0]=4 590 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [0,1,0,0,0,0|3,0,0]=4 591 B8R1.11 [13CH3]Sc1cscc1Br 62a_100010143727_200025704644 [0,1,0,0,0,0|3,0,0]=4 592 B8R1.11 [13CH3]Sc1cscc1Br 62a_200025704644_100010143727 [0,1,0,0,0,0|3,0,0]=4 593 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,1,0,0,0,0|3,0,0]=4 594 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,1,0,0,0,0|3,0,0]=4 595 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,1,0,0,0,0|3,0,0]=4 596 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,1,0,0,0,0|3,0,0]=4 597 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [0,1,0,0,0,0|1,1,0]=3 598 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [0,1,0,0,0,0|1,1,0]=3 599 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|0,0,2]=3 600 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|0,0,2]=3 601 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|1,0,2]=4 602 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|1,0,2]=4 603 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|1,0,2]=4 604 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 605 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 606 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 607 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,1,0,0,0|2,0,1]=4 608 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,1,0,0,0|2,0,1]=4 609 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,1,0,0,0|2,0,1]=4 610 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,1,0,0,0|2,0,1]=4 611 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|0,0,2]=3 612 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|1,0,2]=4 613 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|1,0,2]=4 614 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|1,0,2]=4 615 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|1,0,2]=4 616 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|1,0,1]=3 617 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|1,0,1]=3 618 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|1,0,1]=3 619 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [0,0,1,0,0,0|2,0,1]=4 620 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [0,0,1,0,0,0|2,0,1]=4 621 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [0,0,1,0,0,0|2,0,1]=4 622 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [0,0,1,0,0,0|2,0,1]=4 623 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [0,0,1,0,0,0|2,0,1]=4 624 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [0,0,1,0,0,0|2,0,1]=4 625 B6R0.1 O=C(C=CBr)CF 1458a_100016273825_100015361967 [0,0,1,0,0,0|2,0,1]=4 626 B6R0.1 O=C(C=CCl)CF 1458a_200016279998_100015361967 [0,0,1,0,0,0|2,0,1]=4 627 B6R0.1 O=C(C=CI)CF 1458a_100016256311_100015361967 [0,0,1,0,0,0|2,0,1]=4 628 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,1,0,0,0|2,0,1]=4 629 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,1,0,0,0|2,0,1]=4 630 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|2,0,1]=4 631 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|2,0,1]=4 632 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,1,0,0,0|2,0,1]=4 633 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,1,0,0,0|2,0,1]=4 634 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,1,0,0,0|2,0,1]=4 635 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,1,0,0,0|2,0,1]=4 636 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,1,0,0,0|2,0,1]=4 637 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,1,0,0,0|2,0,1]=4 638 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,1,0,0,0|1,0,2]=4 639 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,1,0,0,0|1,0,2]=4 640 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|0,0,2]=3 641 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|0,0,2]=3 642 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,1,0,0,0|1,0,2]=4 643 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,1,0,0,0|1,0,2]=4 644 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,1,0,0,0|1,0,2]=4 645 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,1,0,0,0|1,0,2]=4 646 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,1,0,0,0|0,1,2]=4 647 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,1,0,0,0|0,1,2]=4 648 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 649 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,1,0,0,0|2,0,1]=4 650 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 651 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,0,1,0,0,0|2,0,1]=4 652 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,0,1,0,0,0|2,0,1]=4 653 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,0,1,0,0,0|2,0,1]=4 654 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,0,1,0,0,0|2,0,1]=4 655 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,0,1,0,0,0|2,0,1]=4 656 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,0,1,0,0,0|2,0,1]=4 657 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,0,1,0,0,0|2,0,1]=4 658 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,1,0,0,0|2,0,1]=4 659 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,1,0,0,0|2,0,1]=4 660 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|2,0,1]=4 661 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|2,0,1]=4 662 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|1,0,2]=4 663 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,0,1,0,0,0|2,0,1]=4 664 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,0,1,0,0,0|2,0,1]=4 665 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,0,1,0,0,0|0,0,2]=3 666 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,0,1,0,0,0|0,0,2]=3 667 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,0,1,0,0,0|0,0,2]=3 668 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,0,1,0,0,0|0,0,2]=3 669 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [0,0,0,0,0,1|1,0,2]=4 670 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [0,0,0,0,0,1|1,0,2]=4 671 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,0,0,0,0,1|1,0,2]=4 672 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [0,0,0,0,0,1|1,0,2]=4 673 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,0,0,0,0,1|1,0,2]=4 674 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,0,0,0,0,1|1,0,2]=4 675 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,0,0,0,0,1|1,0,2]=4 676 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [0,0,0,0,0,1|1,0,2]=4 677 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,0,0,0,0,1|2,0,1]=4 678 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,0,0,0,0,1|2,0,1]=4 679 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,0,0,0,0,1|2,0,1]=4 680 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,0,0,0,1|2,0,0]=3 681 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,0,0,0,1|2,0,0]=3 682 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,0,0,0,1|2,0,0]=3 683 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,0,0,0,0,1|2,0,0]=3 684 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,0,0,0,0,1|2,0,0]=3 685 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,0,0,0,0,1|2,0,0]=3 686 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,0,0,0,0,1|2,0,0]=3 687 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,0,0,0,0,1|2,0,0]=3 688 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,0,0,0,0,1|2,0,0]=3 689 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,0,0,0,0,1|2,0,0]=3 690 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [0,0,0,0,0,1|3,0,0]=4 691 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [0,0,0,0,0,1|3,0,0]=4 692 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,0,0,0,1|2,0,0]=3 693 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,0,0,0,1|2,0,0]=3 694 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,0,0,0,1|2,0,0]=3 695 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,0,0,0,1|2,0,0]=3 696 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,0,0,0,0,1|2,0,0]=3 697 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,0,0,0,0,1|2,0,0]=3 698 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [0,0,0,0,0,1|2,0,0]=3 699 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [0,0,0,0,0,1|2,0,0]=3 700 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,0,0,0,0,1|2,0,0]=3 701 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,0,0,0,0,1|2,0,0]=3 702 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,0,0,0,0,1|2,0,0]=3 703 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,0,0,0,0,1|2,0,0]=3 704 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [0,0,0,0,0,1|3,0,0]=4 705 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [0,0,0,0,0,1|3,0,0]=4 706 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,0,0,0,0,1|2,0,0]=3 707 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,0,0,0,0,1|2,0,0]=3 708 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [0,0,0,0,0,1|3,0,0]=4 709 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [0,0,0,0,0,1|3,0,0]=4 710 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [0,0,0,0,0,1|2,0,0]=3 711 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [0,0,0,0,0,1|2,0,0]=3 712 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,0,0,0,1|2,0,0]=3 713 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,0,0,0,0,1|2,0,0]=3 714 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,0,0,0,0,1|2,0,0]=3 715 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,0,0,0,0,1|2,0,0]=3 716 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,0,0,0,0,1|2,0,0]=3 717 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,0,0,0,0,1|2,0,0]=3 718 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [0,0,0,0,0,1|3,0,0]=4 719 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [0,0,0,0,0,1|3,0,0]=4 720 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,0,0,0,1|2,0,0]=3 721 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,0,0,0,1|2,0,0]=3 722 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,0,0,0,1|2,0,0]=3 723 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,0,0,0,1|2,0,0]=3 724 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,0,0,0,0,1|2,0,0]=3 725 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,0,0,0,0,1|2,0,0]=3 726 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [0,0,0,0,0,1|2,0,0]=3 727 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [0,0,0,0,0,1|2,0,0]=3 728 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,0,0,0,0,1|2,0,0]=3 729 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,0,0,0,0,1|2,0,0]=3 730 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,0,0,0,0,1|2,0,0]=3 731 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,0,0,0,0,1|2,0,0]=3 732 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [0,0,0,0,0,1|3,0,0]=4 733 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [0,0,0,0,0,1|3,0,0]=4 734 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,0,0,0,0,1|2,0,0]=3 735 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,0,0,0,0,1|2,0,0]=3 736 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [0,0,0,0,0,1|3,0,0]=4 737 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [0,0,0,0,0,1|3,0,0]=4 738 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [0,0,0,0,0,1|2,0,0]=3 739 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [0,0,0,0,0,1|2,0,0]=3 740 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|0,0,2]=4 741 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|0,0,2]=4 742 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|0,0,2]=4 743 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [1,0,1,0,0,0|1,0,1]=4 744 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [1,0,1,0,0,0|1,0,1]=4 745 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [1,0,1,0,0,0|1,0,1]=4 746 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|0,0,2]=4 747 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|0,0,2]=4 748 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [1,0,1,0,0,0|1,0,1]=4 749 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [1,0,1,0,0,0|1,0,1]=4 750 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [1,0,1,0,0,0|1,0,1]=4 751 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,1,0,0,0|1,0,1]=4 752 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,1,0,0,0|1,0,1]=4 753 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|0,0,1]=3 754 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|0,0,1]=3 755 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,1,0,0,0|1,0,1]=4 756 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,1,0,0,0|0,1,1]=4 757 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,1,0,0,0|0,1,1]=4 758 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|1,0,1]=4 759 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|0,0,1]=3 760 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [1,0,1,0,0,0|1,0,1]=4 761 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [1,0,1,0,0,0|1,0,1]=4 762 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [1,0,1,0,0,0|1,0,1]=4 763 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|0,0,2]=4 764 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|0,0,2]=4 765 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|0,0,2]=4 766 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,1,0,0,0|0,0,2]=4 767 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,1,0,0,0|1,0,1]=4 768 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,1,0,0,0|1,0,1]=4 769 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|0,0,2]=4 770 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|0,0,2]=4 771 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|0,0,2]=4 772 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,1,1,0,0,0|1,0,1]=4 773 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|0,0,2]=4 774 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,1,1,0,0,0|0,0,1]=3 775 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,1,1,0,0,0|1,0,1]=4 776 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [0,1,1,0,0,0|1,0,1]=4 777 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|0,0,2]=4 778 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|0,0,2]=4 779 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 780 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 781 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 782 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,1,0,0,0|0,0,2]=4 783 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,1,0,0,0|0,0,2]=4 784 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|0,0,2]=4 785 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|0,0,2]=4 786 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|0,0,2]=4 787 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|0,0,2]=4 788 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,1,0,0,0|0,0,2]=4 789 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,1,0,0,0|0,0,2]=4 790 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,1,0,0,0|0,0,2]=4 791 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,1,0,0,0|0,0,2]=4 792 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,1,0,0,0|0,0,2]=4 793 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [0,1,1,0,0,0|1,0,1]=4 794 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [0,1,1,0,0,0|1,0,1]=4 795 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [0,1,1,0,0,0|1,0,1]=4 796 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|0,0,2]=4 797 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|0,0,2]=4 798 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|0,0,2]=4 799 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,1,0,0,0|0,0,2]=4 800 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,1,0,0,0|0,0,2]=4 801 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,1,0,0,0|0,0,2]=4 802 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|0,0,2]=4 803 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|0,0,2]=4 804 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 805 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 806 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 807 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|1,0,0]=3 808 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|1,0,0]=3 809 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,1,0,0,0|1,0,0]=3 810 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,1,0,0,0|1,0,0]=3 811 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,1,0,0,0|1,0,0]=3 812 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,1,0,0,0|1,0,0]=3 813 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,1,0,0,0|1,0,0]=3 814 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|0,0,2]=4 815 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|0,0,2]=4 816 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|0,0,2]=4 817 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|0,0,2]=4 818 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|0,0,2]=4 819 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,1,0,0,0|1,0,1]=4 820 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,1,0,0,0|1,0,1]=4 821 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,1,0,0,0|1,0,1]=4 822 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,1,1,0,0,0|1,0,1]=4 823 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,1,1,0,0,0|1,0,1]=4 824 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,1,1,0,0,0|1,0,1]=4 825 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,1,1,0,0,0|1,0,1]=4 826 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,1,1,0,0,0|1,0,1]=4 827 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,1,1,0,0,0|1,0,1]=4 828 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,1,1,0,0,0|1,0,1]=4 829 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,1,1,0,0,0|1,0,1]=4 830 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,1,1,0,0,0|1,0,1]=4 831 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|0,0,2]=4 832 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,1,0,0,0|1,0,1]=4 833 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,1,0,0,0|2,0,0]=4 834 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,1,0,0,0|2,0,0]=4 835 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,1,0,0,0|0,0,2]=4 836 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,1,1,0,0,0|1,0,0]=3 837 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,1,1,0,0,0|1,0,0]=3 838 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,1,0,0,0|0,0,2]=4 839 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,1,0,0,0|0,0,2]=4 840 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,1,0,0,0|0,0,2]=4 841 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,1,0,0,0|0,0,2]=4 842 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,1,1,0,0,0|0,0,2]=4 843 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,1,1,0,0,0|0,0,2]=4 844 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,1,1,0,0,0|0,0,2]=4 845 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,1,0,0,0|0,0,2]=4 846 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,1,0,0,0|0,0,2]=4 847 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,1,0,0,0|0,0,2]=4 848 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,1,0,0,0|0,0,2]=4 849 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,1,0,0,0|0,0,2]=4 850 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,1,0,0,0|0,0,2]=4 851 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,1,0,0,0|0,0,2]=4 852 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,1,0,0,0|0,0,2]=4 853 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,1,0,0,0|0,0,2]=4 854 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,1,0,0,0|0,0,2]=4 855 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,1,0,0,0|0,0,2]=4 856 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,1,0,0,0|0,0,2]=4 857 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,1,0,0,0|0,0,2]=4 858 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,1,0,0,0|0,0,2]=4 859 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,1,0,0,0|0,0,2]=4 860 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,1,0,0,0|0,0,2]=4 861 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,1,0,0,0|0,0,2]=4 862 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,1,0,0,0|0,0,2]=4 863 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,1,0,0,0|0,0,2]=4 864 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,1,0,0,0|0,0,2]=4 865 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,1,0,0,0|0,0,2]=4 866 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,1,0,0,0|0,0,2]=4 867 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,1,0,0,0|0,0,2]=4 868 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,1,0,0,0|0,0,2]=4 869 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,1,0,0,0|0,0,2]=4 870 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,1,0,0,0|0,0,2]=4 871 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,1,0,0,0|0,0,2]=4 872 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,1,0,0,0|0,0,2]=4 873 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,1,1,0,0,0|0,0,2]=4 874 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,1,1,0,0,0|0,0,2]=4 875 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [0,1,1,0,0,0|2,0,0]=4 876 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|0,0,2]=4 877 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|0,0,2]=4 878 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,1,0,0,0|0,0,2]=4 879 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,1,0,0,0|0,0,2]=4 880 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,1,1,0,0,0|0,0,2]=4 881 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,1,0,0,0|0,0,2]=4 882 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,1,0,0,0|0,0,2]=4 883 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,1,1,0,0,0|0,0,2]=4 884 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,1,0,0,0|0,0,2]=4 885 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,1,0,0,0|0,0,2]=4 886 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,1,0,0,0|0,0,2]=4 887 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,1,0,0,0|0,0,2]=4 888 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|0,0,2]=4 889 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|0,0,2]=4 890 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|0,0,2]=4 891 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,1,0,0,0|0,0,2]=4 892 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,1,0,0,0|0,0,2]=4 893 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,1,0,0,0|1,0,1]=4 894 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,1,0,0,0|1,0,1]=4 895 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,1,1,0,0,0|0,0,2]=4 896 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,1,1,0,0,0|0,0,2]=4 897 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,1,1,0,0,0|0,0,2]=4 898 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,1,1,0,0,0|0,0,2]=4 899 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,1,0,0,0,0|2,0,0]=4 900 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,1,0,0,0,0|0,1,0]=3 901 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,1,0,0,0,0|2,0,0]=4 902 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,1,0,0,0,0|2,0,0]=4 903 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,1,0,0,0,0|0,1,0]=3 904 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,1,0,0,0,0|1,1,0]=4 905 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,1,0,0,0,0|1,1,0]=4 906 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,1,0,0,0,0|2,0,0]=4 907 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,1,0,0,0,0|2,0,0]=4 908 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,1,0,0,0,0|1,1,0]=4 909 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [1,1,0,0,0,0|2,0,0]=4 910 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,1,0,0,0,0|1,1,0]=4 911 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [1,1,0,0,0,0|2,0,0]=4 912 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [1,1,0,0,0,0|2,0,0]=4 913 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,1,0,0,0,0|2,0,0]=4 914 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,1,0,0,0,0|2,0,0]=4 915 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,1,0,0,0,0|1,1,0]=4 916 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [1,1,0,0,0,0|2,0,0]=4 917 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,1,0,0,0,0|1,1,0]=4 918 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,1,0,0,0,0|2,0,0]=4 919 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [1,1,0,0,0,0|2,0,0]=4 920 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [1,1,0,0,0,0|2,0,0]=4 921 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [1,1,0,0,0,0|1,0,0]=3 922 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,1,0,0,0,0|0,1,0]=3 923 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [1,1,0,0,0,0|1,1,0]=4 924 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,1,0,0,0,0|2,0,0]=4 925 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [1,1,0,0,0,0|1,1,0]=4 926 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,1,0,0,0,1|1,0,0]=3 927 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,1,0,0,0,1|1,0,0]=3 928 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,1,0,0,0,1|1,0,0]=3 929 B9R1.1 CCc1cnc(nc1)O 271570a_203496583355_100000033099 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [0,1,0,0,0,1|2,0,0]=4 938 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [0,1,0,0,0,1|2,0,0]=4 939 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [0,1,0,0,0,1|2,0,0]=4 940 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [0,1,0,0,0,1|2,0,0]=4 941 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [0,1,0,0,0,1|2,0,0]=4 942 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [0,1,0,0,0,1|2,0,0]=4 943 B9R1.1 CNc1ccc(nn1)O 271570a_203496583355_100000215272 [0,1,0,0,0,1|2,0,0]=4 944 B9R1.1 CNc1cnc(cn1)Br 27a_100102657272_100010187541 [0,1,0,0,0,1|2,0,0]=4 945 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [0,1,0,0,0,1|2,0,0]=4 946 B9R1.1 CNc1cnc(cn1)F 27a_100102657272_100009856528 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.1 CNc1cnc(cn1)O 271570a_203496583355_100012000640 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.1 CNc1ncc(cn1)Br 27a_100102657272_100000690281 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.1 CNc1ncc(cn1)C 27a_100102657272_100000061069 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.1 CNc1ncc(cn1)Cl 27a_100102657272_100011356929 [0,1,0,0,0,1|2,0,0]=4 951 B9R1.1 CNc1ncc(cn1)F 27a_100102657272_100000685220 [0,1,0,0,0,1|2,0,0]=4 952 B9R1.1 CNc1ncc(cn1)O 271570a_203496583355_100000697329 [0,1,0,0,0,1|2,0,0]=4 953 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [0,1,0,0,0,1|2,0,0]=4 962 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [0,1,0,0,0,1|2,0,0]=4 963 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [0,1,0,0,0,1|2,0,0]=4 964 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [0,1,0,0,0,1|2,0,0]=4 965 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,1,0,0,0,1|2,0,0]=4 966 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [0,1,0,0,0,1|2,0,0]=4 967 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [0,1,0,0,0,1|2,0,0]=4 968 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [0,1,0,0,0,1|2,0,0]=4 969 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [0,1,0,0,0,1|2,0,0]=4 970 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 971 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 972 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [0,1,0,0,0,1|2,0,0]=4 973 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [0,1,0,0,0,1|2,0,0]=4 974 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [0,1,0,0,0,1|2,0,0]=4 975 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [0,1,0,0,0,1|2,0,0]=4 976 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [0,1,0,0,0,1|2,0,0]=4 977 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [0,1,0,0,0,1|2,0,0]=4 978 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [0,1,0,0,0,1|2,0,0]=4 979 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [0,1,0,0,0,1|2,0,0]=4 980 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [0,1,0,0,0,1|2,0,0]=4 981 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [0,1,0,0,0,1|2,0,0]=4 982 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [0,1,0,0,0,1|2,0,0]=4 983 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [0,1,0,0,0,1|2,0,0]=4 984 B9R1.1 COc1cnc(cn1)Br 34a_100011934580_200000210301 [0,1,0,0,0,1|2,0,0]=4 985 B9R1.1 COc1cnc(cn1)Cl 34a_100015839800_200000210301 [0,1,0,0,0,1|2,0,0]=4 986 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [0,1,0,0,0,1|2,0,0]=4 987 B9R1.1 COc1ncc(cn1)F 34a_100011934040_200000210301 [0,1,0,0,0,1|2,0,0]=4 988 B9R1.1 COc1ncc(cn1)O 271570a_203496583355_100000686852 [0,1,0,0,0,1|2,0,0]=4 989 B9R1.1 CSc1cc[n+](cc1)[O-] 62a_200000210301_100000039755 [0,1,0,0,0,1|2,0,0]=4 990 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [0,1,0,0,0,1|2,0,0]=4 991 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [0,1,0,0,0,1|2,0,0]=4 992 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [0,1,0,0,0,1|2,0,0]=4 993 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [0,1,0,0,0,1|2,0,0]=4 994 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [0,1,0,0,0,1|2,0,0]=4 995 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [0,1,0,0,0,1|2,0,0]=4 996 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [0,1,0,0,0,1|2,0,0]=4 997 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [0,1,0,0,0,1|2,0,0]=4 998 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [0,1,0,0,0,1|2,0,0]=4 999 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [0,1,0,0,0,1|2,0,0]=4 1000 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [0,1,0,0,0,1|2,0,0]=4 1001 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [0,1,0,0,0,1|2,0,0]=4 1002 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [0,1,0,0,0,1|2,0,0]=4 1003 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [0,1,0,0,0,1|2,0,0]=4 1004 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [0,1,0,0,0,1|2,0,0]=4 1005 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [0,1,0,0,0,1|2,0,0]=4 1006 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [0,1,0,0,0,1|2,0,0]=4 1007 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [0,1,0,0,0,1|2,0,0]=4 1008 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [0,1,0,0,0,1|2,0,0]=4 1009 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [0,1,0,0,0,1|2,0,0]=4 1010 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [0,1,0,0,0,1|2,0,0]=4 1011 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [0,1,0,0,0,1|2,0,0]=4 1012 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [0,1,0,0,0,1|2,0,0]=4 1013 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [0,1,0,0,0,1|2,0,0]=4 1014 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [0,1,0,0,0,1|2,0,0]=4 1015 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [0,1,0,0,0,1|2,0,0]=4 1016 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [0,1,0,0,0,1|2,0,0]=4 1017 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [0,1,0,0,0,1|2,0,0]=4 1018 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [0,1,0,0,0,1|2,0,0]=4 1019 B9R1.1 CSc1ccc(nc1)Br 62a_100009814638_200000210301 [0,1,0,0,0,1|2,0,0]=4 1020 B9R1.1 CSc1ccc(nc1)Br 62a_200000210301_100009814638 [0,1,0,0,0,1|2,0,0]=4 1021 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [0,1,0,0,0,1|2,0,0]=4 1022 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [0,1,0,0,0,1|2,0,0]=4 1023 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [0,1,0,0,0,1|2,0,0]=4 1024 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [0,1,0,0,0,1|2,0,0]=4 1025 B9R1.1 CSc1ccc(nc1)F 62a_100000042367_200000210301 [0,1,0,0,0,1|2,0,0]=4 1026 B9R1.1 CSc1ccc(nc1)F 62a_200000210301_100000042367 [0,1,0,0,0,1|2,0,0]=4 1027 B9R1.1 CSc1ccc(nc1)N 62a_100000187370_200000210301 [0,1,0,0,0,1|2,0,0]=4 1028 B9R1.1 CSc1ccc(nc1)N 62a_200000210301_100000187370 [0,1,0,0,0,1|2,0,0]=4 1029 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [0,1,0,0,0,1|2,0,0]=4 1030 B9R1.1 CSc1ccc(nn1)C 62a_100000744512_200000210301 [0,1,0,0,0,1|2,0,0]=4 1031 B9R1.1 CSc1ccc(nn1)C 62a_200000210301_100000744512 [0,1,0,0,0,1|2,0,0]=4 1032 B9R1.1 CSc1ccc(nn1)Cl 62a_100000068654_200000210301 [0,1,0,0,0,1|2,0,0]=4 1033 B9R1.1 CSc1ccc(nn1)Cl 62a_200000210301_100000068654 [0,1,0,0,0,1|2,0,0]=4 1034 B9R1.1 CSc1ccc(nn1)N 62a_100010219413_200000210301 [0,1,0,0,0,1|2,0,0]=4 1035 B9R1.1 CSc1ccc(nn1)N 62a_200000210301_100010219413 [0,1,0,0,0,1|2,0,0]=4 1036 B9R1.1 CSc1cnc(cn1)Br 62a_100010187541_200000210301 [0,1,0,0,0,1|2,0,0]=4 1037 B9R1.1 CSc1cnc(cn1)Br 62a_200000210301_100010187541 [0,1,0,0,0,1|2,0,0]=4 1038 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [0,1,0,0,0,1|2,0,0]=4 1039 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [0,1,0,0,0,1|2,0,0]=4 1040 B9R1.1 CSc1cnc(cn1)Cl 62a_100010214907_200000210301 [0,1,0,0,0,1|2,0,0]=4 1041 B9R1.1 CSc1cnc(cn1)Cl 62a_200000210301_100010214907 [0,1,0,0,0,1|2,0,0]=4 1042 B9R1.1 CSc1cnc(cn1)F 62a_100009856528_200000210301 [0,1,0,0,0,1|2,0,0]=4 1043 B9R1.1 CSc1cnc(cn1)F 62a_200000210301_100009856528 [0,1,0,0,0,1|2,0,0]=4 1044 B9R1.1 CSc1cnc(cn1)N 62a_100000744751_200000210301 [0,1,0,0,0,1|2,0,0]=4 1045 B9R1.1 CSc1cnc(cn1)N 62a_200000210301_100000744751 [0,1,0,0,0,1|2,0,0]=4 1046 B9R1.1 CSc1cnc(cn1)O 271570a_203496583355_200012356277 [0,1,0,0,0,1|2,0,0]=4 1047 B9R1.1 CSc1cnc(cn1)O 62a_100011934580_200000210301 [0,1,0,0,0,1|2,0,0]=4 1048 B9R1.1 CSc1cnc(cn1)O 62a_200000210301_100015839800 [0,1,0,0,0,1|2,0,0]=4 1049 B9R1.1 CSc1ncc(cn1)Br 62a_100000690281_200000210301 [0,1,0,0,0,1|2,0,0]=4 1050 B9R1.1 CSc1ncc(cn1)Br 62a_200000210301_100000690281 [0,1,0,0,0,1|2,0,0]=4 1051 B9R1.1 CSc1ncc(cn1)C 62a_100000061069_200000210301 [0,1,0,0,0,1|2,0,0]=4 1052 B9R1.1 CSc1ncc(cn1)C 62a_200000210301_100000061069 [0,1,0,0,0,1|2,0,0]=4 1053 B9R1.1 CSc1ncc(cn1)Cl 62a_100011356929_200000210301 [0,1,0,0,0,1|2,0,0]=4 1054 B9R1.1 CSc1ncc(cn1)Cl 62a_200000210301_100011356929 [0,1,0,0,0,1|2,0,0]=4 1055 B9R1.1 CSc1ncc(cn1)F 62a_100000685220_200000210301 [0,1,0,0,0,1|2,0,0]=4 1056 B9R1.1 CSc1ncc(cn1)F 62a_200000210301_100000685220 [0,1,0,0,0,1|2,0,0]=4 1057 B9R1.1 CSc1ncc(cn1)N 62a_100000068403_200000210301 [0,1,0,0,0,1|2,0,0]=4 1058 B9R1.1 CSc1ncc(cn1)N 62a_200000210301_100000068403 [0,1,0,0,0,1|2,0,0]=4 1059 B9R1.1 CSc1ncc(cn1)O 271570a_203496583355_100000722549 [0,1,0,0,0,1|2,0,0]=4 1060 B9R1.1 CSc1ncc(cn1)O 62a_100000730009_200000210301 [0,1,0,0,0,1|2,0,0]=4 1061 B9R1.1 CSc1ncc(cn1)O 62a_200000210301_100000092845 [0,1,0,0,0,1|2,0,0]=4 1062 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,1,0,0,0,1|2,0,0]=4 1063 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,1,0,0,0,1|2,0,0]=4 1064 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,1,0,0,0,1|2,0,0]=4 1065 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [0,1,0,0,0,1|2,0,0]=4 1066 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [0,1,0,0,0,1|2,0,0]=4 1067 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [0,1,0,0,0,1|2,0,0]=4 1068 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [0,1,0,0,0,1|2,0,0]=4 1069 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [0,1,0,0,0,1|2,0,0]=4 1070 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [0,1,0,0,0,1|2,0,0]=4 1071 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,1,0,0,0,1|2,0,0]=4 1072 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [0,1,0,0,0,1|2,0,0]=4 1073 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [0,1,0,0,0,1|2,0,0]=4 1074 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_100000744512_200025704644 [0,1,0,0,0,1|2,0,0]=4 1075 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_200025704644_100000744512 [0,1,0,0,0,1|2,0,0]=4 1076 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [0,1,0,0,0,1|2,0,0]=4 1077 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [0,1,0,0,0,1|2,0,0]=4 1078 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_100000061069_200025704644 [0,1,0,0,0,1|2,0,0]=4 1079 B9R1.1 Cc1cnc(nc1)S[13CH3] 62a_200025704644_100000061069 [0,1,0,0,0,1|2,0,0]=4 1080 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [0,1,0,0,0,1|2,0,0]=4 1081 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [0,1,0,0,0,1|2,0,0]=4 1082 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [0,1,0,0,0,1|2,0,0]=4 1083 B9R1.1 NCc1ncc(cn1)O 271570a_203496583355_200016993442 [0,1,0,0,0,1|2,0,0]=4 1084 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,1,0,0,0,1|2,0,0]=4 1085 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,1,0,0,0,1|2,0,0]=4 1086 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,1,0,0,0,1|2,0,0]=4 1087 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [0,1,0,0,0,1|2,0,0]=4 1088 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [0,1,0,0,0,1|2,0,0]=4 1089 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [0,1,0,0,0,1|2,0,0]=4 1090 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [0,1,0,0,0,1|2,0,0]=4 1091 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [0,1,0,0,0,1|2,0,0]=4 1092 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [0,1,0,0,0,1|2,0,0]=4 1093 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [0,1,0,0,0,1|2,0,0]=4 1094 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [0,1,0,0,0,1|2,0,0]=4 1095 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [0,1,0,0,0,1|2,0,0]=4 1096 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [0,1,0,0,0,1|2,0,0]=4 1097 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,1,0,0,0,1|2,0,0]=4 1098 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [0,1,0,0,0,1|2,0,0]=4 1099 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [0,1,0,0,0,1|2,0,0]=4 1100 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [0,1,0,0,0,1|2,0,0]=4 1101 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [0,1,0,0,0,1|2,0,0]=4 1102 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [0,1,0,0,0,1|2,0,0]=4 1103 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [0,1,0,0,0,1|2,0,0]=4 1104 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [0,1,0,0,0,1|2,0,0]=4 1105 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [0,1,0,0,0,1|2,0,0]=4 1106 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [0,1,0,0,0,1|2,0,0]=4 1107 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [0,1,0,0,0,1|2,0,0]=4 1108 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [0,1,0,0,0,1|2,0,0]=4 1109 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 1110 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 1111 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [0,1,0,0,0,1|2,0,0]=4 1112 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [0,1,0,0,0,1|2,0,0]=4 1113 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [0,1,0,0,0,1|2,0,0]=4 1114 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [0,1,0,0,0,1|2,0,0]=4 1115 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1116 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [0,1,0,0,0,1|2,0,0]=4 1117 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [0,1,0,0,0,1|2,0,0]=4 1118 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [0,1,0,0,0,1|2,0,0]=4 1119 B9R1.1 [13CH3]Oc1cnc(cn1)Br 34a_100011934580_200025704644 [0,1,0,0,0,1|2,0,0]=4 1120 B9R1.1 [13CH3]Oc1cnc(cn1)Cl 34a_100015839800_200025704644 [0,1,0,0,0,1|2,0,0]=4 1121 B9R1.1 [13CH3]Oc1ncc(cn1)F 34a_100011934040_200025704644 [0,1,0,0,0,1|2,0,0]=4 1122 B9R1.1 [13CH3]Sc1cc[n+](cc1)[O-] 62a_200025704644_100000039755 [0,1,0,0,0,1|2,0,0]=4 1123 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [0,1,0,0,0,1|2,0,0]=4 1124 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [0,1,0,0,0,1|2,0,0]=4 1125 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [0,1,0,0,0,1|2,0,0]=4 1126 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [0,1,0,0,0,1|2,0,0]=4 1127 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [0,1,0,0,0,1|2,0,0]=4 1128 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [0,1,0,0,0,1|2,0,0]=4 1129 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [0,1,0,0,0,1|2,0,0]=4 1130 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [0,1,0,0,0,1|2,0,0]=4 1131 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [0,1,0,0,0,1|2,0,0]=4 1132 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [0,1,0,0,0,1|2,0,0]=4 1133 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [0,1,0,0,0,1|2,0,0]=4 1134 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [0,1,0,0,0,1|2,0,0]=4 1135 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [0,1,0,0,0,1|2,0,0]=4 1136 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [0,1,0,0,0,1|2,0,0]=4 1137 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [0,1,0,0,0,1|2,0,0]=4 1138 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [0,1,0,0,0,1|2,0,0]=4 1139 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [0,1,0,0,0,1|2,0,0]=4 1140 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [0,1,0,0,0,1|2,0,0]=4 1141 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [0,1,0,0,0,1|2,0,0]=4 1142 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [0,1,0,0,0,1|2,0,0]=4 1143 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [0,1,0,0,0,1|2,0,0]=4 1144 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [0,1,0,0,0,1|2,0,0]=4 1145 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [0,1,0,0,0,1|2,0,0]=4 1146 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_100009814638_200025704644 [0,1,0,0,0,1|2,0,0]=4 1147 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_200025704644_100009814638 [0,1,0,0,0,1|2,0,0]=4 1148 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [0,1,0,0,0,1|2,0,0]=4 1149 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [0,1,0,0,0,1|2,0,0]=4 1150 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_100000042367_200025704644 [0,1,0,0,0,1|2,0,0]=4 1151 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_200025704644_100000042367 [0,1,0,0,0,1|2,0,0]=4 1152 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_100000187370_200025704644 [0,1,0,0,0,1|2,0,0]=4 1153 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_200025704644_100000187370 [0,1,0,0,0,1|2,0,0]=4 1154 B9R1.1 [13CH3]Sc1ccc(nn1)Cl 62a_100000068654_200025704644 [0,1,0,0,0,1|2,0,0]=4 1155 B9R1.1 [13CH3]Sc1ccc(nn1)Cl 62a_200025704644_100000068654 [0,1,0,0,0,1|2,0,0]=4 1156 B9R1.1 [13CH3]Sc1ccc(nn1)N 62a_100010219413_200025704644 [0,1,0,0,0,1|2,0,0]=4 1157 B9R1.1 [13CH3]Sc1ccc(nn1)N 62a_200025704644_100010219413 [0,1,0,0,0,1|2,0,0]=4 1158 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_100010187541_200025704644 [0,1,0,0,0,1|2,0,0]=4 1159 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_200025704644_100010187541 [0,1,0,0,0,1|2,0,0]=4 1160 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_100010214907_200025704644 [0,1,0,0,0,1|2,0,0]=4 1161 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_200025704644_100010214907 [0,1,0,0,0,1|2,0,0]=4 1162 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_100009856528_200025704644 [0,1,0,0,0,1|2,0,0]=4 1163 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_200025704644_100009856528 [0,1,0,0,0,1|2,0,0]=4 1164 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_100000744751_200025704644 [0,1,0,0,0,1|2,0,0]=4 1165 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_200025704644_100000744751 [0,1,0,0,0,1|2,0,0]=4 1166 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_100011934580_200025704644 [0,1,0,0,0,1|2,0,0]=4 1167 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_200025704644_100015839800 [0,1,0,0,0,1|2,0,0]=4 1168 B9R1.1 [13CH3]Sc1ncc(cn1)Br 62a_100000690281_200025704644 [0,1,0,0,0,1|2,0,0]=4 1169 B9R1.1 [13CH3]Sc1ncc(cn1)Br 62a_200025704644_100000690281 [0,1,0,0,0,1|2,0,0]=4 1170 B9R1.1 [13CH3]Sc1ncc(cn1)Cl 62a_100011356929_200025704644 [0,1,0,0,0,1|2,0,0]=4 1171 B9R1.1 [13CH3]Sc1ncc(cn1)Cl 62a_200025704644_100011356929 [0,1,0,0,0,1|2,0,0]=4 1172 B9R1.1 [13CH3]Sc1ncc(cn1)F 62a_100000685220_200025704644 [0,1,0,0,0,1|2,0,0]=4 1173 B9R1.1 [13CH3]Sc1ncc(cn1)F 62a_200025704644_100000685220 [0,1,0,0,0,1|2,0,0]=4 1174 B9R1.1 [13CH3]Sc1ncc(cn1)N 62a_100000068403_200025704644 [0,1,0,0,0,1|2,0,0]=4 1175 B9R1.1 [13CH3]Sc1ncc(cn1)N 62a_200025704644_100000068403 [0,1,0,0,0,1|2,0,0]=4 1176 B9R1.1 [13CH3]Sc1ncc(cn1)O 62a_100000730009_200025704644 [0,1,0,0,0,1|2,0,0]=4 1177 B9R1.1 [13CH3]Sc1ncc(cn1)O 62a_200025704644_100000092845 [0,1,0,0,0,1|2,0,0]=4 1178 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,1,0,0,0,1|1,0,0]=3 1179 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [0,1,0,0,0,1|1,0,0]=3 1180 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,1,0,0,0,1|1,0,0]=3 1181 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,1,0,0,0,1|1,0,0]=3 1182 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,1,0,0,0,1|1,0,0]=3 1183 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,1,0,0,0,1|1,0,0]=3 1184 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,1,0,0,0,1|1,0,0]=3 1185 B9R1.2 CNc1c[n+](ccn1)[O-] 27a_100102657272_100009880115 [0,1,0,0,0,1|2,0,0]=4 1186 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [0,1,0,0,0,1|2,0,0]=4 1187 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [0,1,0,0,0,1|2,0,0]=4 1188 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [0,1,0,0,0,1|2,0,0]=4 1189 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [0,1,0,0,0,1|2,0,0]=4 1190 B9R1.2 CNc1cc(ncn1)F 27a_100102657272_200009880791 [0,1,0,0,0,1|2,0,0]=4 1191 B9R1.2 CNc1cc(ncn1)N 27a_100102657272_100000701291 [0,1,0,0,0,1|2,0,0]=4 1192 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [0,1,0,0,0,1|2,0,0]=4 1193 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [0,1,0,0,0,1|2,0,0]=4 1194 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [0,1,0,0,0,1|2,0,0]=4 1195 B9R1.2 CNc1cc[nH]c(=O)n1 27a_100102657272_200000134032 [0,1,0,0,0,1|2,0,0]=4 1196 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [0,1,0,0,0,1|2,0,0]=4 1197 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,1,0,0,0,1|2,0,0]=4 1198 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,1,0,0,0,1|2,0,0]=4 1199 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [0,1,0,0,0,1|2,0,0]=4 1200 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [0,1,0,0,0,1|2,0,0]=4 1201 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [0,1,0,0,0,1|2,0,0]=4 1202 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [0,1,0,0,0,1|2,0,0]=4 1203 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1204 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [0,1,0,0,0,1|2,0,0]=4 1205 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [0,1,0,0,0,1|2,0,0]=4 1206 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,1,0,0,0,1|2,0,0]=4 1207 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [0,1,0,0,0,1|2,0,0]=4 1208 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [0,1,0,0,0,1|2,0,0]=4 1209 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,1,0,0,0,1|2,0,0]=4 1210 B9R1.2 CNc1ccnc(n1)N 27a_100102657272_100000055538 [0,1,0,0,0,1|2,0,0]=4 1211 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [0,1,0,0,0,1|2,0,0]=4 1212 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [0,1,0,0,0,1|2,0,0]=4 1213 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,1,0,0,0,1|2,0,0]=4 1214 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [0,1,0,0,0,1|2,0,0]=4 1215 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [0,1,0,0,0,1|2,0,0]=4 1216 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [0,1,0,0,0,1|2,0,0]=4 1217 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,1,0,0,0,1|2,0,0]=4 1218 B9R1.2 CNc1nccc(n1)N 27a_100102657272_100000757536 [0,1,0,0,0,1|2,0,0]=4 1219 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [0,1,0,0,0,1|2,0,0]=4 1220 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [0,1,0,0,0,1|2,0,0]=4 1221 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [0,1,0,0,0,1|2,0,0]=4 1222 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [0,1,0,0,0,1|2,0,0]=4 1223 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [0,1,0,0,0,1|2,0,0]=4 1224 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [0,1,0,0,0,1|2,0,0]=4 1225 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [0,1,0,0,0,1|2,0,0]=4 1226 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [0,1,0,0,0,1|2,0,0]=4 1227 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [0,1,0,0,0,1|2,0,0]=4 1228 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [0,1,0,0,0,1|2,0,0]=4 1229 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [0,1,0,0,0,1|2,0,0]=4 1230 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,1,0,0,0,1|2,0,0]=4 1231 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,1,0,0,0,1|2,0,0]=4 1232 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [0,1,0,0,0,1|2,0,0]=4 1233 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [0,1,0,0,0,1|2,0,0]=4 1234 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [0,1,0,0,0,1|2,0,0]=4 1235 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [0,1,0,0,0,1|2,0,0]=4 1236 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [0,1,0,0,0,1|2,0,0]=4 1237 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [0,1,0,0,0,1|2,0,0]=4 1238 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1239 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [0,1,0,0,0,1|2,0,0]=4 1240 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [0,1,0,0,0,1|2,0,0]=4 1241 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [0,1,0,0,0,1|2,0,0]=4 1242 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,1,0,0,0,1|2,0,0]=4 1243 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1244 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [0,1,0,0,0,1|2,0,0]=4 1245 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [0,1,0,0,0,1|2,0,0]=4 1246 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [0,1,0,0,0,1|2,0,0]=4 1247 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [0,1,0,0,0,1|2,0,0]=4 1248 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 1249 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 1250 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,1,0,0,0,1|2,0,0]=4 1251 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,1,0,0,0,1|2,0,0]=4 1252 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [0,1,0,0,0,1|2,0,0]=4 1253 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 1254 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [0,1,0,0,0,1|2,0,0]=4 1255 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [0,1,0,0,0,1|2,0,0]=4 1256 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [0,1,0,0,0,1|2,0,0]=4 1257 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [0,1,0,0,0,1|2,0,0]=4 1258 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [0,1,0,0,0,1|2,0,0]=4 1259 B9R1.2 CSc1c[n+](ccn1)[O-] 62a_200000210301_100009880115 [0,1,0,0,0,1|2,0,0]=4 1260 B9R1.2 CSc1cc(=O)[nH]cn1 62a_100012002517_200000210301 [0,1,0,0,0,1|2,0,0]=4 1261 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [0,1,0,0,0,1|2,0,0]=4 1262 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,1,0,0,0,1|2,0,0]=4 1263 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,1,0,0,0,1|2,0,0]=4 1264 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [0,1,0,0,0,1|2,0,0]=4 1265 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [0,1,0,0,0,1|2,0,0]=4 1266 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [0,1,0,0,0,1|2,0,0]=4 1267 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [0,1,0,0,0,1|2,0,0]=4 1268 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [0,1,0,0,0,1|2,0,0]=4 1269 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [0,1,0,0,0,1|2,0,0]=4 1270 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [0,1,0,0,0,1|2,0,0]=4 1271 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [0,1,0,0,0,1|2,0,0]=4 1272 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [0,1,0,0,0,1|2,0,0]=4 1273 B9R1.2 CSc1cc(cnn1)N 62a_100011996757_200000210301 [0,1,0,0,0,1|2,0,0]=4 1274 B9R1.2 CSc1cc(cnn1)N 62a_200000210301_100011996757 [0,1,0,0,0,1|2,0,0]=4 1275 B9R1.2 CSc1cc(cnn1)O 62a_200000210301_200010734679 [0,1,0,0,0,1|2,0,0]=4 1276 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [0,1,0,0,0,1|2,0,0]=4 1277 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [0,1,0,0,0,1|2,0,0]=4 1278 B9R1.2 CSc1cc(ncn1)Cl 62a_100010161198_200000210301 [0,1,0,0,0,1|2,0,0]=4 1279 B9R1.2 CSc1cc(ncn1)Cl 62a_200000210301_100010161198 [0,1,0,0,0,1|2,0,0]=4 1280 B9R1.2 CSc1cc(ncn1)F 62a_200000210301_200009880791 [0,1,0,0,0,1|2,0,0]=4 1281 B9R1.2 CSc1cc(ncn1)F 62a_200009880791_200000210301 [0,1,0,0,0,1|2,0,0]=4 1282 B9R1.2 CSc1cc(ncn1)N 62a_100000701291_200000210301 [0,1,0,0,0,1|2,0,0]=4 1283 B9R1.2 CSc1cc(ncn1)N 62a_200000210301_100000701291 [0,1,0,0,0,1|2,0,0]=4 1284 B9R1.2 CSc1cc(ncn1)O 271570a_203496583355_100011443430 [0,1,0,0,0,1|2,0,0]=4 1285 B9R1.2 CSc1cc(ncn1)O 62a_200000210301_100000765262 [0,1,0,0,0,1|2,0,0]=4 1286 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [0,1,0,0,0,1|2,0,0]=4 1287 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [0,1,0,0,0,1|2,0,0]=4 1288 B9R1.2 CSc1cc[nH]c(=O)n1 62a_200000210301_200000134032 [0,1,0,0,0,1|2,0,0]=4 1289 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [0,1,0,0,0,1|2,0,0]=4 1290 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [0,1,0,0,0,1|2,0,0]=4 1291 B9R1.2 CSc1ccc[n+](c1)[O-] 62a_200000210301_100009815978 [0,1,0,0,0,1|2,0,0]=4 1292 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [0,1,0,0,0,1|2,0,0]=4 1293 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [0,1,0,0,0,1|2,0,0]=4 1294 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [0,1,0,0,0,1|2,0,0]=4 1295 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,1,0,0,0,1|2,0,0]=4 1296 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,1,0,0,0,1|2,0,0]=4 1297 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [0,1,0,0,0,1|2,0,0]=4 1298 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [0,1,0,0,0,1|2,0,0]=4 1299 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [0,1,0,0,0,1|2,0,0]=4 1300 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [0,1,0,0,0,1|2,0,0]=4 1301 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [0,1,0,0,0,1|2,0,0]=4 1302 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [0,1,0,0,0,1|2,0,0]=4 1303 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [0,1,0,0,0,1|2,0,0]=4 1304 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [0,1,0,0,0,1|2,0,0]=4 1305 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [0,1,0,0,0,1|2,0,0]=4 1306 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [0,1,0,0,0,1|2,0,0]=4 1307 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [0,1,0,0,0,1|2,0,0]=4 1308 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [0,1,0,0,0,1|2,0,0]=4 1309 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,1,0,0,0,1|2,0,0]=4 1310 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,1,0,0,0,1|2,0,0]=4 1311 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [0,1,0,0,0,1|2,0,0]=4 1312 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [0,1,0,0,0,1|2,0,0]=4 1313 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [0,1,0,0,0,1|2,0,0]=4 1314 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [0,1,0,0,0,1|2,0,0]=4 1315 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [0,1,0,0,0,1|2,0,0]=4 1316 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [0,1,0,0,0,1|2,0,0]=4 1317 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [0,1,0,0,0,1|2,0,0]=4 1318 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [0,1,0,0,0,1|2,0,0]=4 1319 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [0,1,0,0,0,1|2,0,0]=4 1320 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,1,0,0,0,1|2,0,0]=4 1321 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,1,0,0,0,1|2,0,0]=4 1322 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [0,1,0,0,0,1|2,0,0]=4 1323 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [0,1,0,0,0,1|2,0,0]=4 1324 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [0,1,0,0,0,1|2,0,0]=4 1325 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [0,1,0,0,0,1|2,0,0]=4 1326 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [0,1,0,0,0,1|2,0,0]=4 1327 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [0,1,0,0,0,1|2,0,0]=4 1328 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [0,1,0,0,0,1|2,0,0]=4 1329 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,1,0,0,0,1|2,0,0]=4 1330 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,1,0,0,0,1|2,0,0]=4 1331 B9R1.2 CSc1ccnc(n1)Cl 62a_100010154678_200000210301 [0,1,0,0,0,1|2,0,0]=4 1332 B9R1.2 CSc1ccnc(n1)Cl 62a_200000210301_100010154678 [0,1,0,0,0,1|2,0,0]=4 1333 B9R1.2 CSc1ccnc(n1)N 62a_100000055538_200000210301 [0,1,0,0,0,1|2,0,0]=4 1334 B9R1.2 CSc1ccnc(n1)N 62a_200000210301_100000055538 [0,1,0,0,0,1|2,0,0]=4 1335 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [0,1,0,0,0,1|2,0,0]=4 1336 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [0,1,0,0,0,1|2,0,0]=4 1337 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [0,1,0,0,0,1|2,0,0]=4 1338 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [0,1,0,0,0,1|2,0,0]=4 1339 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [0,1,0,0,0,1|2,0,0]=4 1340 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [0,1,0,0,0,1|2,0,0]=4 1341 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [0,1,0,0,0,1|2,0,0]=4 1342 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [0,1,0,0,0,1|2,0,0]=4 1343 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [0,1,0,0,0,1|2,0,0]=4 1344 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [0,1,0,0,0,1|2,0,0]=4 1345 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [0,1,0,0,0,1|2,0,0]=4 1346 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [0,1,0,0,0,1|2,0,0]=4 1347 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [0,1,0,0,0,1|2,0,0]=4 1348 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [0,1,0,0,0,1|2,0,0]=4 1349 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [0,1,0,0,0,1|2,0,0]=4 1350 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [0,1,0,0,0,1|2,0,0]=4 1351 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [0,1,0,0,0,1|2,0,0]=4 1352 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [0,1,0,0,0,1|2,0,0]=4 1353 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [0,1,0,0,0,1|2,0,0]=4 1354 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [0,1,0,0,0,1|2,0,0]=4 1355 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [0,1,0,0,0,1|2,0,0]=4 1356 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [0,1,0,0,0,1|2,0,0]=4 1357 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [0,1,0,0,0,1|2,0,0]=4 1358 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,1,0,0,0,1|2,0,0]=4 1359 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,1,0,0,0,1|2,0,0]=4 1360 B9R1.2 CSc1nccc(n1)N 62a_100000757536_200000210301 [0,1,0,0,0,1|2,0,0]=4 1361 B9R1.2 CSc1nccc(n1)N 62a_200000210301_100000757536 [0,1,0,0,0,1|2,0,0]=4 1362 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [0,1,0,0,0,1|2,0,0]=4 1363 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [0,1,0,0,0,1|2,0,0]=4 1364 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [0,1,0,0,0,1|2,0,0]=4 1365 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [0,1,0,0,0,1|2,0,0]=4 1366 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,1,0,0,0,1|2,0,0]=4 1367 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,1,0,0,0,1|2,0,0]=4 1368 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,1,0,0,0,1|2,0,0]=4 1369 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [0,1,0,0,0,1|2,0,0]=4 1370 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [0,1,0,0,0,1|2,0,0]=4 1371 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1372 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,1,0,0,0,1|2,0,0]=4 1373 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1374 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,1,0,0,0,1|2,0,0]=4 1375 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,1,0,0,0,1|2,0,0]=4 1376 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,1,0,0,0,1|2,0,0]=4 1377 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,1,0,0,0,1|2,0,0]=4 1378 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,1,0,0,0,1|2,0,0]=4 1379 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,1,0,0,0,1|2,0,0]=4 1380 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,1,0,0,0,1|2,0,0]=4 1381 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,1,0,0,0,1|2,0,0]=4 1382 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,1,0,0,0,1|2,0,0]=4 1383 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,1,0,0,0,1|2,0,0]=4 1384 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,1,0,0,0,1|2,0,0]=4 1385 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [0,1,0,0,0,1|2,0,0]=4 1386 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [0,1,0,0,0,1|2,0,0]=4 1387 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [0,1,0,0,0,1|2,0,0]=4 1388 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [0,1,0,0,0,1|2,0,0]=4 1389 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [0,1,0,0,0,1|2,0,0]=4 1390 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [0,1,0,0,0,1|2,0,0]=4 1391 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [0,1,0,0,0,1|2,0,0]=4 1392 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,1,0,0,0,1|2,0,0]=4 1393 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,1,0,0,0,1|2,0,0]=4 1394 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,1,0,0,0,1|2,0,0]=4 1395 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,1,0,0,0,1|2,0,0]=4 1396 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,1,0,0,0,1|2,0,0]=4 1397 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,1,0,0,0,1|2,0,0]=4 1398 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,1,0,0,0,1|2,0,0]=4 1399 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [0,1,0,0,0,1|2,0,0]=4 1400 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,1,0,0,0,1|2,0,0]=4 1401 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,1,0,0,0,1|2,0,0]=4 1402 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,1,0,0,0,1|2,0,0]=4 1403 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,1,0,0,0,1|2,0,0]=4 1404 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,1,0,0,0,1|2,0,0]=4 1405 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,1,0,0,0,1|2,0,0]=4 1406 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [0,1,0,0,0,1|2,0,0]=4 1407 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [0,1,0,0,0,1|2,0,0]=4 1408 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [0,1,0,0,0,1|2,0,0]=4 1409 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [0,1,0,0,0,1|2,0,0]=4 1410 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1411 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [0,1,0,0,0,1|2,0,0]=4 1412 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [0,1,0,0,0,1|2,0,0]=4 1413 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [0,1,0,0,0,1|2,0,0]=4 1414 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [0,1,0,0,0,1|2,0,0]=4 1415 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [0,1,0,0,0,1|2,0,0]=4 1416 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [0,1,0,0,0,1|2,0,0]=4 1417 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [0,1,0,0,0,1|2,0,0]=4 1418 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [0,1,0,0,0,1|2,0,0]=4 1419 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [0,1,0,0,0,1|2,0,0]=4 1420 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [0,1,0,0,0,1|2,0,0]=4 1421 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [0,1,0,0,0,1|2,0,0]=4 1422 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [0,1,0,0,0,1|2,0,0]=4 1423 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1424 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [0,1,0,0,0,1|2,0,0]=4 1425 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1426 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [0,1,0,0,0,1|2,0,0]=4 1427 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [0,1,0,0,0,1|2,0,0]=4 1428 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1429 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1430 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [0,1,0,0,0,1|2,0,0]=4 1431 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1432 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [0,1,0,0,0,1|2,0,0]=4 1433 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [0,1,0,0,0,1|2,0,0]=4 1434 B9R1.2 [13CH3]Sc1c[n+](ccn1)[O-] 62a_200025704644_100009880115 [0,1,0,0,0,1|2,0,0]=4 1435 B9R1.2 [13CH3]Sc1cc(=O)[nH]cn1 62a_100012002517_200025704644 [0,1,0,0,0,1|2,0,0]=4 1436 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [0,1,0,0,0,1|2,0,0]=4 1437 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [0,1,0,0,0,1|2,0,0]=4 1438 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [0,1,0,0,0,1|2,0,0]=4 1439 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [0,1,0,0,0,1|2,0,0]=4 1440 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [0,1,0,0,0,1|2,0,0]=4 1441 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [0,1,0,0,0,1|2,0,0]=4 1442 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [0,1,0,0,0,1|2,0,0]=4 1443 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [0,1,0,0,0,1|2,0,0]=4 1444 B9R1.2 [13CH3]Sc1cc(cnn1)N 62a_100011996757_200025704644 [0,1,0,0,0,1|2,0,0]=4 1445 B9R1.2 [13CH3]Sc1cc(cnn1)N 62a_200025704644_100011996757 [0,1,0,0,0,1|2,0,0]=4 1446 B9R1.2 [13CH3]Sc1cc(cnn1)O 62a_200025704644_200010734679 [0,1,0,0,0,1|2,0,0]=4 1447 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_100010161198_200025704644 [0,1,0,0,0,1|2,0,0]=4 1448 B9R1.2 [13CH3]Sc1cc(ncn1)Cl 62a_200025704644_100010161198 [0,1,0,0,0,1|2,0,0]=4 1449 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200009880791_200025704644 [0,1,0,0,0,1|2,0,0]=4 1450 B9R1.2 [13CH3]Sc1cc(ncn1)F 62a_200025704644_200009880791 [0,1,0,0,0,1|2,0,0]=4 1451 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_100000701291_200025704644 [0,1,0,0,0,1|2,0,0]=4 1452 B9R1.2 [13CH3]Sc1cc(ncn1)N 62a_200025704644_100000701291 [0,1,0,0,0,1|2,0,0]=4 1453 B9R1.2 [13CH3]Sc1cc(ncn1)O 62a_200025704644_100000765262 [0,1,0,0,0,1|2,0,0]=4 1454 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [0,1,0,0,0,1|2,0,0]=4 1455 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [0,1,0,0,0,1|2,0,0]=4 1456 B9R1.2 [13CH3]Sc1cc[nH]c(=O)n1 62a_200025704644_200000134032 [0,1,0,0,0,1|2,0,0]=4 1457 B9R1.2 [13CH3]Sc1ccc[n+](c1)[O-] 62a_200025704644_100009815978 [0,1,0,0,0,1|2,0,0]=4 1458 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [0,1,0,0,0,1|2,0,0]=4 1459 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [0,1,0,0,0,1|2,0,0]=4 1460 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [0,1,0,0,0,1|2,0,0]=4 1461 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [0,1,0,0,0,1|2,0,0]=4 1462 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [0,1,0,0,0,1|2,0,0]=4 1463 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [0,1,0,0,0,1|2,0,0]=4 1464 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [0,1,0,0,0,1|2,0,0]=4 1465 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [0,1,0,0,0,1|2,0,0]=4 1466 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [0,1,0,0,0,1|2,0,0]=4 1467 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [0,1,0,0,0,1|2,0,0]=4 1468 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [0,1,0,0,0,1|2,0,0]=4 1469 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [0,1,0,0,0,1|2,0,0]=4 1470 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [0,1,0,0,0,1|2,0,0]=4 1471 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [0,1,0,0,0,1|2,0,0]=4 1472 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [0,1,0,0,0,1|2,0,0]=4 1473 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [0,1,0,0,0,1|2,0,0]=4 1474 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [0,1,0,0,0,1|2,0,0]=4 1475 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [0,1,0,0,0,1|2,0,0]=4 1476 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [0,1,0,0,0,1|2,0,0]=4 1477 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [0,1,0,0,0,1|2,0,0]=4 1478 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [0,1,0,0,0,1|2,0,0]=4 1479 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [0,1,0,0,0,1|2,0,0]=4 1480 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1481 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [0,1,0,0,0,1|2,0,0]=4 1482 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [0,1,0,0,0,1|2,0,0]=4 1483 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [0,1,0,0,0,1|2,0,0]=4 1484 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1485 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [0,1,0,0,0,1|2,0,0]=4 1486 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_100010154678_200025704644 [0,1,0,0,0,1|2,0,0]=4 1487 B9R1.2 [13CH3]Sc1ccnc(n1)Cl 62a_200025704644_100010154678 [0,1,0,0,0,1|2,0,0]=4 1488 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_100000055538_200025704644 [0,1,0,0,0,1|2,0,0]=4 1489 B9R1.2 [13CH3]Sc1ccnc(n1)N 62a_200025704644_100000055538 [0,1,0,0,0,1|2,0,0]=4 1490 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [0,1,0,0,0,1|2,0,0]=4 1491 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [0,1,0,0,0,1|2,0,0]=4 1492 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [0,1,0,0,0,1|2,0,0]=4 1493 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [0,1,0,0,0,1|2,0,0]=4 1494 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [0,1,0,0,0,1|2,0,0]=4 1495 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [0,1,0,0,0,1|2,0,0]=4 1496 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [0,1,0,0,0,1|2,0,0]=4 1497 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [0,1,0,0,0,1|2,0,0]=4 1498 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [0,1,0,0,0,1|2,0,0]=4 1499 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [0,1,0,0,0,1|2,0,0]=4 1500 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [0,1,0,0,0,1|2,0,0]=4 1501 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [0,1,0,0,0,1|2,0,0]=4 1502 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [0,1,0,0,0,1|2,0,0]=4 1503 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [0,1,0,0,0,1|2,0,0]=4 1504 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [0,1,0,0,0,1|2,0,0]=4 1505 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [0,1,0,0,0,1|2,0,0]=4 1506 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [0,1,0,0,0,1|2,0,0]=4 1507 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_100000757536_200025704644 [0,1,0,0,0,1|2,0,0]=4 1508 B9R1.2 [13CH3]Sc1nccc(n1)N 62a_200025704644_100000757536 [0,1,0,0,0,1|2,0,0]=4 1509 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [0,1,0,0,0,1|2,0,0]=4 1510 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,1,0,0,0,1|1,0,1]=4 1511 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,1,0,0,0,1|1,0,1]=4 1512 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,1,0,0,0,1|1,0,1]=4 1513 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,1,0,0,0,1|1,0,1]=4 1514 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,1,0,0,0,1|1,0,1]=4 1515 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,1,0,0,0,1|1,0,1]=4 1516 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,1,0,0,0,1|1,0,1]=4 1517 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,1,0,0,0,1|1,0,1]=4 1518 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,1,0,0,0,1|1,0,1]=4 1519 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,1,0,0,0,1|2,0,0]=4 1520 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,1,0,0,0,1|2,0,0]=4 1521 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,1,0,0,0,1|2,0,0]=4 1522 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,1,0,0,0,1|2,0,0]=4 1523 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,1,0,0,0,1|2,0,0]=4 1524 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,1,0,0,0,1|2,0,0]=4 1525 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,1,0,0,0,1|2,0,0]=4 1526 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,1,0,0,0,1|2,0,0]=4 1527 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,1,0,0,0,1|2,0,0]=4 1528 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,1,0,0,0,1|2,0,0]=4 1529 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,1,0,0,0,1|1,0,1]=4 1530 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [0,1,0,0,0,1|1,0,1]=4 1531 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [0,1,0,0,0,1|1,0,1]=4 1532 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [0,1,0,0,0,1|1,0,1]=4 1533 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [0,1,0,0,0,1|1,0,1]=4 1534 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [0,1,0,0,0,1|1,0,1]=4 1535 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [0,1,0,0,0,1|1,0,1]=4 1536 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [0,1,0,0,0,1|1,0,1]=4 1537 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [0,1,0,0,0,1|1,0,1]=4 1538 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,1,0,0,0,1|1,0,0]=3 1539 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,1,0,0,0,1|1,0,0]=3 1540 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [0,1,0,0,0,1|1,0,0]=3 1541 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [0,1,0,0,0,1|1,0,0]=3 1542 B9R1.8 CCNc1ncccn1 27a_100015525214_100000211032 [0,1,0,0,0,1|1,0,0]=3 1543 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [0,1,0,0,0,1|1,0,0]=3 1544 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [0,1,0,0,0,1|1,0,0]=3 1545 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [0,1,0,0,0,1|1,0,0]=3 1546 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [0,1,0,0,0,1|1,0,0]=3 1547 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [0,1,0,0,0,1|1,0,0]=3 1548 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [0,1,0,0,0,1|2,0,0]=4 1549 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [0,1,0,0,0,1|2,0,0]=4 1550 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [0,1,0,0,0,1|1,0,0]=3 1551 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [0,1,0,0,0,1|1,0,0]=3 1552 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [0,1,0,0,0,1|1,0,0]=3 1553 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [0,1,0,0,0,1|1,0,0]=3 1554 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [0,1,0,0,0,1|1,0,0]=3 1555 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [0,1,0,0,0,1|1,0,0]=3 1556 B9R1.8 CCSc1cccnn1 62a_100000210202_100016991348 [0,1,0,0,0,1|1,0,0]=3 1557 B9R1.8 CCSc1cccnn1 62a_100016991348_100000210202 [0,1,0,0,0,1|1,0,0]=3 1558 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [0,1,0,0,0,1|1,0,0]=3 1559 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [0,1,0,0,0,1|1,0,0]=3 1560 B9R1.8 CCSc1ccncn1 62a_100000210202_100000703185 [0,1,0,0,0,1|1,0,0]=3 1561 B9R1.8 CCSc1ccncn1 62a_100000703185_100000210202 [0,1,0,0,0,1|1,0,0]=3 1562 B9R1.8 CCSc1ccnnc1 62a_100000210202_100000732662 [0,1,0,0,0,1|2,0,0]=4 1563 B9R1.8 CCSc1ccnnc1 62a_100000732662_100000210202 [0,1,0,0,0,1|2,0,0]=4 1564 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [0,1,0,0,0,1|1,0,0]=3 1565 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [0,1,0,0,0,1|1,0,0]=3 1566 B9R1.8 CCSc1cncnc1 62a_100000210202_100011206942 [0,1,0,0,0,1|2,0,0]=4 1567 B9R1.8 CCSc1cncnc1 62a_100011206942_100000210202 [0,1,0,0,0,1|2,0,0]=4 1568 B9R1.8 CCSc1ncccn1 62a_100000210202_100000211032 [0,1,0,0,0,1|1,0,0]=3 1569 B9R1.8 CCSc1ncccn1 62a_100000211032_100000210202 [0,1,0,0,0,1|1,0,0]=3 1570 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [0,1,0,0,0,1|1,0,0]=3 1571 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [0,1,0,0,0,1|1,0,0]=3 1572 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [0,1,0,0,0,1|1,0,0]=3 1573 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [0,1,0,0,0,1|1,0,0]=3 1574 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [0,1,0,0,0,1|1,0,0]=3 1575 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [0,1,0,0,0,1|1,0,0]=3 1576 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [0,1,0,0,0,1|1,0,0]=3 1577 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [0,1,0,0,0,1|1,0,0]=3 1578 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [0,1,0,0,0,1|1,0,0]=3 1579 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [0,1,0,0,0,1|1,0,0]=3 1580 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [0,1,0,0,0,1|1,0,0]=3 1581 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [0,1,0,0,0,1|1,0,0]=3 1582 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [0,1,0,0,0,1|1,0,0]=3 1583 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [0,1,0,0,0,1|1,0,0]=3 1584 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [0,1,0,0,0,1|1,0,0]=3 1585 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [0,1,0,0,0,1|1,0,0]=3 1586 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [0,1,0,0,0,1|1,0,0]=3 1587 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [0,1,0,0,0,1|1,0,0]=3 1588 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [0,1,0,0,0,1|1,0,0]=3 1589 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [0,1,0,0,0,1|1,0,0]=3 1590 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [0,1,0,0,0,1|1,0,0]=3 1591 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [0,1,0,0,0,1|1,0,0]=3 1592 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [0,1,0,0,0,1|1,0,0]=3 1593 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [0,1,0,0,0,1|1,0,0]=3 1594 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [0,1,0,0,0,1|2,0,0]=4 1595 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [0,1,0,0,0,1|1,0,0]=3 1596 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [0,1,0,0,0,1|1,0,0]=3 1597 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [0,1,0,0,0,1|1,0,0]=3 1598 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [0,1,0,0,0,1|1,0,0]=3 1599 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [0,1,0,0,0,1|2,0,0]=4 1600 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [0,1,0,0,0,1|2,0,0]=4 1601 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [0,1,0,0,0,1|2,0,0]=4 1602 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [0,1,0,0,0,1|2,0,0]=4 1603 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [0,1,0,0,0,1|2,0,0]=4 1604 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [0,1,0,0,0,1|1,0,0]=3 1605 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [0,1,0,0,0,1|1,0,0]=3 1606 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [0,1,0,0,0,1|1,0,0]=3 1607 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [0,1,0,0,0,1|1,0,0]=3 1608 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,1,0,0,0,1|0,0,2]=4 1609 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [0,1,0,0,0,1|1,0,0]=3 1610 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [0,1,0,0,0,1|1,0,0]=3 1611 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [0,1,0,0,0,1|1,0,0]=3 1612 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [0,1,0,0,0,1|1,0,0]=3 1613 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [0,1,0,0,0,1|1,0,0]=3 1614 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [0,1,0,0,0,1|1,0,0]=3 1615 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [0,1,0,0,0,1|1,0,0]=3 1616 B9R1.8 COCc1cncnc1 34a_100138415774_100015196519 [0,1,0,0,0,1|2,0,0]=4 1617 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [0,1,0,0,0,1|1,0,0]=3 1618 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [0,1,0,0,0,1|1,0,0]=3 1619 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [0,1,0,0,0,1|1,0,0]=3 1620 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [0,1,0,0,0,1|1,0,0]=3 1621 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [0,1,0,0,0,1|1,0,0]=3 1622 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [0,1,0,0,0,1|1,0,0]=3 1623 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [0,1,0,0,0,1|1,0,0]=3 1624 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [0,1,0,0,0,1|1,0,0]=3 1625 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [0,1,0,0,0,1|1,0,0]=3 1626 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [0,1,0,0,0,1|1,0,0]=3 1627 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [0,1,0,0,0,1|1,0,0]=3 1628 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [0,1,0,0,0,1|1,0,0]=3 1629 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [0,1,0,0,0,1|1,0,0]=3 1630 B9R1.8 CSCc1cncnc1 62a_100015196519_200000210301 [0,1,0,0,0,1|2,0,0]=4 1631 B9R1.8 CSCc1cncnc1 62a_200000210301_100015196519 [0,1,0,0,0,1|2,0,0]=4 1632 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [0,1,0,0,0,1|1,0,0]=3 1633 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [0,1,0,0,0,1|1,0,0]=3 1634 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [0,1,0,0,0,1|2,0,0]=4 1635 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [0,1,0,0,0,1|2,0,0]=4 1636 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [0,1,0,0,0,1|2,0,0]=4 1637 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [0,1,0,0,0,1|2,0,0]=4 1638 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [0,1,0,0,0,1|2,0,0]=4 1639 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [0,1,0,0,0,1|2,0,0]=4 1640 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [0,1,0,0,0,1|2,0,0]=4 1641 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [0,1,0,0,0,1|2,0,0]=4 1642 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [0,1,0,0,0,1|2,0,0]=4 1643 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [0,1,0,0,0,1|2,0,0]=4 1644 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [0,1,0,0,0,1|2,0,0]=4 1645 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [0,1,0,0,0,1|2,0,0]=4 1646 B9R1.8 FCSc1cccnn1 62a_100015361967_100016991348 [0,1,0,0,0,1|2,0,0]=4 1647 B9R1.8 FCSc1cccnn1 62a_100016991348_100015361967 [0,1,0,0,0,1|2,0,0]=4 1648 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [0,1,0,0,0,1|2,0,0]=4 1649 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [0,1,0,0,0,1|2,0,0]=4 1650 B9R1.8 FCSc1ccncn1 62a_100000703185_100015361967 [0,1,0,0,0,1|2,0,0]=4 1651 B9R1.8 FCSc1ccncn1 62a_100015361967_100000703185 [0,1,0,0,0,1|2,0,0]=4 1652 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [0,1,0,0,0,1|2,0,0]=4 1653 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [0,1,0,0,0,1|2,0,0]=4 1654 B9R1.8 FCSc1ncccn1 62a_100000211032_100015361967 [0,1,0,0,0,1|2,0,0]=4 1655 B9R1.8 FCSc1ncccn1 62a_100015361967_100000211032 [0,1,0,0,0,1|2,0,0]=4 1656 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [0,1,0,0,0,1|1,0,0]=3 1657 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [0,1,0,0,0,1|1,0,0]=3 1658 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [0,1,0,0,0,1|1,0,0]=3 1659 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [0,1,0,0,0,1|2,0,0]=4 1660 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,1,0,0,0,1|0,0,2]=4 1661 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [0,1,0,0,0,1|1,0,0]=3 1662 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [0,1,0,0,0,1|1,0,0]=3 1663 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [0,1,0,0,0,1|1,0,0]=3 1664 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [0,1,0,0,0,1|1,0,0]=3 1665 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [0,1,0,0,0,1|1,0,0]=3 1666 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [0,1,0,0,0,1|1,0,0]=3 1667 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [0,1,0,0,0,1|1,0,0]=3 1668 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [0,1,0,0,0,1|1,0,0]=3 1669 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [0,1,0,0,0,1|1,0,0]=3 1670 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [0,1,0,0,0,1|1,0,0]=3 1671 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [0,1,0,0,0,1|1,0,0]=3 1672 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [0,1,0,0,0,1|1,0,0]=3 1673 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [0,1,0,0,0,1|1,0,0]=3 1674 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [0,1,0,0,0,1|1,0,0]=3 1675 B9R1.8 [13CH3]SCc1cncnc1 62a_100015196519_200025704644 [0,1,0,0,0,1|2,0,0]=4 1676 B9R1.8 [13CH3]SCc1cncnc1 62a_200025704644_100015196519 [0,1,0,0,0,1|2,0,0]=4 1677 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [0,1,0,0,0,1|1,0,0]=3 1678 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [0,1,0,0,0,1|1,0,0]=3 1679 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [0,1,0,0,0,1|1,0,0]=3 1680 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [0,1,0,0,0,1|1,0,0]=3 1681 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [0,1,0,0,0,1|1,0,0]=3 1682 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [0,1,0,0,0,1|2,0,0]=4 1683 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [0,1,0,0,0,1|1,0,0]=3 1684 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [0,1,0,0,0,1|1,0,0]=3 1685 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [0,1,0,0,0,1|1,0,0]=3 1686 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [0,1,0,0,0,1|2,0,0]=4 1687 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [0,1,0,0,0,1|2,0,0]=4 1688 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [0,1,0,0,0,1|2,0,0]=4 1689 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [0,1,0,0,0,1|2,0,0]=4 1690 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [0,1,0,0,0,1|2,0,0]=4 1691 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [0,1,0,0,0,1|2,0,0]=4 1692 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [0,1,0,0,0,1|2,0,0]=4 1693 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [0,1,0,0,0,1|2,0,0]=4 1694 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [0,1,0,0,0,1|2,0,0]=4 1695 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [0,1,0,0,0,1|2,0,0]=4 1696 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [0,1,0,0,0,1|2,0,0]=4 1697 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [0,1,0,0,0,1|2,0,0]=4 1698 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [0,1,0,0,0,1|2,0,0]=4 1699 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [0,1,0,0,0,1|2,0,0]=4 1700 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [0,1,0,0,0,1|2,0,0]=4 1701 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [0,1,0,0,0,1|2,0,0]=4 1702 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [0,1,0,0,0,1|2,0,0]=4 1703 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [0,1,0,0,0,1|2,0,0]=4 1704 B9R1.15 CNc1ncncc1F 27a_100102657272_100000069762 [0,1,0,0,0,1|2,0,0]=4 1705 B9R1.15 CNc1ncncc1N 27a_100102657272_100000709731 [0,1,0,0,0,1|2,0,0]=4 1706 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [0,1,0,0,0,1|2,0,0]=4 1707 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [0,1,0,0,0,1|2,0,0]=4 1708 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [0,1,0,0,0,1|2,0,0]=4 1709 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [0,1,0,0,0,1|2,0,0]=4 1710 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [0,1,0,0,0,1|2,0,0]=4 1711 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,1,0,0,0,1|2,0,0]=4 1712 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,1,0,0,0,1|2,0,0]=4 1713 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [0,1,0,0,0,1|2,0,0]=4 1714 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [0,1,0,0,0,1|2,0,0]=4 1715 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [0,1,0,0,0,1|2,0,0]=4 1716 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [0,1,0,0,0,1|2,0,0]=4 1717 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [0,1,0,0,0,1|2,0,0]=4 1718 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [0,1,0,0,0,1|2,0,0]=4 1719 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [0,1,0,0,0,1|2,0,0]=4 1720 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [0,1,0,0,0,1|2,0,0]=4 1721 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [0,1,0,0,0,1|2,0,0]=4 1722 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [0,1,0,0,0,1|2,0,0]=4 1723 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [0,1,0,0,0,1|2,0,0]=4 1724 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [0,1,0,0,0,1|2,0,0]=4 1725 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [0,1,0,0,0,1|2,0,0]=4 1726 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [0,1,0,0,0,1|2,0,0]=4 1727 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [0,1,0,0,0,1|2,0,0]=4 1728 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [0,1,0,0,0,1|2,0,0]=4 1729 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [0,1,0,0,0,1|2,0,0]=4 1730 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 1731 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 1732 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [0,1,0,0,0,1|2,0,0]=4 1733 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [0,1,0,0,0,1|2,0,0]=4 1734 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [0,1,0,0,0,1|2,0,0]=4 1735 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [0,1,0,0,0,1|1,0,0]=3 1736 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [0,1,0,0,0,1|1,0,0]=3 1737 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [0,1,0,0,0,1|2,0,0]=4 1738 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [0,1,0,0,0,1|2,0,0]=4 1739 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [0,1,0,0,0,1|2,0,0]=4 1740 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [0,1,0,0,0,1|2,0,0]=4 1741 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [0,1,0,0,0,1|2,0,0]=4 1742 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [0,1,0,0,0,1|2,0,0]=4 1743 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [0,1,0,0,0,1|2,0,0]=4 1744 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [0,1,0,0,0,1|2,0,0]=4 1745 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [0,1,0,0,0,1|2,0,0]=4 1746 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [0,1,0,0,0,1|2,0,0]=4 1747 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [0,1,0,0,0,1|2,0,0]=4 1748 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [0,1,0,0,0,1|1,0,0]=3 1749 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [0,1,0,0,0,1|2,0,0]=4 1750 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [0,1,0,0,0,1|2,0,0]=4 1751 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [0,1,0,0,0,1|2,0,0]=4 1752 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [0,1,0,0,0,1|2,0,0]=4 1753 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [0,1,0,0,0,1|2,0,0]=4 1754 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [0,1,0,0,0,1|2,0,0]=4 1755 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [0,1,0,0,0,1|2,0,0]=4 1756 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [0,1,0,0,0,1|2,0,0]=4 1757 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [0,1,0,0,0,1|2,0,0]=4 1758 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [0,1,0,0,0,1|2,0,0]=4 1759 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [0,1,0,0,0,1|2,0,0]=4 1760 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [0,1,0,0,0,1|2,0,0]=4 1761 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [0,1,0,0,0,1|2,0,0]=4 1762 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [0,1,0,0,0,1|2,0,0]=4 1763 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [0,1,0,0,0,1|2,0,0]=4 1764 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,1,0,0,0,1|2,0,0]=4 1765 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,1,0,0,0,1|2,0,0]=4 1766 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [0,1,0,0,0,1|2,0,0]=4 1767 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [0,1,0,0,0,1|2,0,0]=4 1768 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1769 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [0,1,0,0,0,1|2,0,0]=4 1770 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [0,1,0,0,0,1|2,0,0]=4 1771 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [0,1,0,0,0,1|2,0,0]=4 1772 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [0,1,0,0,0,1|2,0,0]=4 1773 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [0,1,0,0,0,1|2,0,0]=4 1774 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [0,1,0,0,0,1|2,0,0]=4 1775 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [0,1,0,0,0,1|2,0,0]=4 1776 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [0,1,0,0,0,1|2,0,0]=4 1777 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [0,1,0,0,0,1|2,0,0]=4 1778 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [0,1,0,0,0,1|2,0,0]=4 1779 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [0,1,0,0,0,1|2,0,0]=4 1780 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [0,1,0,0,0,1|2,0,0]=4 1781 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [0,1,0,0,0,1|2,0,0]=4 1782 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [0,1,0,0,0,1|2,0,0]=4 1783 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [0,1,0,0,0,1|2,0,0]=4 1784 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [0,1,0,0,0,1|2,0,0]=4 1785 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [0,1,0,0,0,1|2,0,0]=4 1786 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [0,1,0,0,0,1|2,0,0]=4 1787 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [0,1,0,0,0,1|2,0,0]=4 1788 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [0,1,0,0,0,1|2,0,0]=4 1789 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [0,1,0,0,0,1|2,0,0]=4 1790 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [0,1,0,0,0,1|2,0,0]=4 1791 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [0,1,0,0,0,1|2,0,0]=4 1792 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [0,1,0,0,0,1|2,0,0]=4 1793 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [0,1,0,0,0,1|2,0,0]=4 1794 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [0,1,0,0,0,1|2,0,0]=4 1795 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [0,1,0,0,0,1|2,0,0]=4 1796 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [0,1,0,0,0,1|2,0,0]=4 1797 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [0,1,0,0,0,1|2,0,0]=4 1798 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [0,1,0,0,0,1|2,0,0]=4 1799 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [0,1,0,0,0,1|2,0,0]=4 1800 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [0,1,0,0,0,1|2,0,0]=4 1801 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [0,1,0,0,0,1|2,0,0]=4 1802 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [0,1,0,0,0,1|2,0,0]=4 1803 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [0,1,0,0,0,1|2,0,0]=4 1804 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [0,1,0,0,0,1|2,0,0]=4 1805 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [0,1,0,0,0,1|2,0,0]=4 1806 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [0,1,0,0,0,1|2,0,0]=4 1807 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [0,1,0,0,0,1|2,0,0]=4 1808 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [0,1,0,0,0,1|2,0,0]=4 1809 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [0,1,0,0,0,1|2,0,0]=4 1810 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [0,1,0,0,0,1|2,0,0]=4 1811 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [0,1,0,0,0,1|2,0,0]=4 1812 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [0,1,0,0,0,1|2,0,0]=4 1813 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [0,1,0,0,0,1|2,0,0]=4 1814 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [0,1,0,0,0,1|2,0,0]=4 1815 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [0,1,0,0,0,1|2,0,0]=4 1816 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [0,1,0,0,0,1|2,0,0]=4 1817 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [0,1,0,0,0,1|2,0,0]=4 1818 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [0,1,0,0,0,1|2,0,0]=4 1819 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [0,1,0,0,0,1|2,0,0]=4 1820 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [0,1,0,0,0,1|2,0,0]=4 1821 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [0,1,0,0,0,1|2,0,0]=4 1822 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [0,1,0,0,0,1|2,0,0]=4 1823 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [0,1,0,0,0,1|2,0,0]=4 1824 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [0,1,0,0,0,1|2,0,0]=4 1825 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [0,1,0,0,0,1|2,0,0]=4 1826 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [0,1,0,0,0,1|2,0,0]=4 1827 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [0,1,0,0,0,1|2,0,0]=4 1828 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [0,1,0,0,0,1|2,0,0]=4 1829 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [0,1,0,0,0,1|2,0,0]=4 1830 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [0,1,0,0,0,1|2,0,0]=4 1831 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [0,1,0,0,0,1|2,0,0]=4 1832 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [0,1,0,0,0,1|2,0,0]=4 1833 B9R1.15 CSc1ncncc1F 62a_100000069762_200000210301 [0,1,0,0,0,1|2,0,0]=4 1834 B9R1.15 CSc1ncncc1F 62a_200000210301_100000069762 [0,1,0,0,0,1|2,0,0]=4 1835 B9R1.15 CSc1ncncc1N 62a_100000709731_200000210301 [0,1,0,0,0,1|2,0,0]=4 1836 B9R1.15 CSc1ncncc1N 62a_200000210301_100000709731 [0,1,0,0,0,1|2,0,0]=4 1837 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [0,1,0,0,0,1|2,0,0]=4 1838 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [0,1,0,0,0,1|2,0,0]=4 1839 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [0,1,0,0,0,1|2,0,0]=4 1840 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,1,0,0,0,1|2,0,0]=4 1841 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,1,0,0,0,1|2,0,0]=4 1842 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,1,0,0,0,1|2,0,0]=4 1843 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,1,0,0,0,1|2,0,0]=4 1844 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [0,1,0,0,0,1|2,0,0]=4 1845 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [0,1,0,0,0,1|2,0,0]=4 1846 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [0,1,0,0,0,1|2,0,0]=4 1847 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [0,1,0,0,0,1|2,0,0]=4 1848 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [0,1,0,0,0,1|2,0,0]=4 1849 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [0,1,0,0,0,1|2,0,0]=4 1850 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [0,1,0,0,0,1|2,0,0]=4 1851 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [0,1,0,0,0,1|2,0,0]=4 1852 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [0,1,0,0,0,1|2,0,0]=4 1853 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [0,1,0,0,0,1|2,0,0]=4 1854 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [0,1,0,0,0,1|2,0,0]=4 1855 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [0,1,0,0,0,1|2,0,0]=4 1856 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [0,1,0,0,0,1|2,0,0]=4 1857 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [0,1,0,0,0,1|2,0,0]=4 1858 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [0,1,0,0,0,1|2,0,0]=4 1859 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [0,1,0,0,0,1|2,0,0]=4 1860 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [0,1,0,0,0,1|2,0,0]=4 1861 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [0,1,0,0,0,1|2,0,0]=4 1862 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [0,1,0,0,0,1|2,0,0]=4 1863 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [0,1,0,0,0,1|2,0,0]=4 1864 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [0,1,0,0,0,1|2,0,0]=4 1865 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [0,1,0,0,0,1|2,0,0]=4 1866 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [0,1,0,0,0,1|2,0,0]=4 1867 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [0,1,0,0,0,1|2,0,0]=4 1868 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [0,1,0,0,0,1|2,0,0]=4 1869 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [0,1,0,0,0,1|2,0,0]=4 1870 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [0,1,0,0,0,1|2,0,0]=4 1871 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [0,1,0,0,0,1|2,0,0]=4 1872 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [0,1,0,0,0,1|2,0,0]=4 1873 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [0,1,0,0,0,1|2,0,0]=4 1874 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [0,1,0,0,0,1|2,0,0]=4 1875 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [0,1,0,0,0,1|2,0,0]=4 1876 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [0,1,0,0,0,1|2,0,0]=4 1877 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [0,1,0,0,0,1|2,0,0]=4 1878 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [0,1,0,0,0,1|2,0,0]=4 1879 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [0,1,0,0,0,1|2,0,0]=4 1880 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [0,1,0,0,0,1|2,0,0]=4 1881 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [0,1,0,0,0,1|2,0,0]=4 1882 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [0,1,0,0,0,1|2,0,0]=4 1883 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [0,1,0,0,0,1|2,0,0]=4 1884 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [0,1,0,0,0,1|2,0,0]=4 1885 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [0,1,0,0,0,1|2,0,0]=4 1886 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [0,1,0,0,0,1|2,0,0]=4 1887 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [0,1,0,0,0,1|2,0,0]=4 1888 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [0,1,0,0,0,1|2,0,0]=4 1889 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [0,1,0,0,0,1|2,0,0]=4 1890 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [0,1,0,0,0,1|2,0,0]=4 1891 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [0,1,0,0,0,1|2,0,0]=4 1892 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [0,1,0,0,0,1|2,0,0]=4 1893 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [0,1,0,0,0,1|2,0,0]=4 1894 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [0,1,0,0,0,1|2,0,0]=4 1895 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [0,1,0,0,0,1|2,0,0]=4 1896 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 1897 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 1898 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [0,1,0,0,0,1|2,0,0]=4 1899 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [0,1,0,0,0,1|2,0,0]=4 1900 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [0,1,0,0,0,1|1,0,0]=3 1901 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [0,1,0,0,0,1|1,0,0]=3 1902 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [0,1,0,0,0,1|2,0,0]=4 1903 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [0,1,0,0,0,1|2,0,0]=4 1904 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [0,1,0,0,0,1|2,0,0]=4 1905 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [0,1,0,0,0,1|2,0,0]=4 1906 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [0,1,0,0,0,1|2,0,0]=4 1907 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [0,1,0,0,0,1|2,0,0]=4 1908 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [0,1,0,0,0,1|1,0,0]=3 1909 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [0,1,0,0,0,1|2,0,0]=4 1910 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [0,1,0,0,0,1|2,0,0]=4 1911 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [0,1,0,0,0,1|2,0,0]=4 1912 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [0,1,0,0,0,1|2,0,0]=4 1913 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [0,1,0,0,0,1|2,0,0]=4 1914 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [0,1,0,0,0,1|2,0,0]=4 1915 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [0,1,0,0,0,1|2,0,0]=4 1916 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [0,1,0,0,0,1|2,0,0]=4 1917 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [0,1,0,0,0,1|2,0,0]=4 1918 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [0,1,0,0,0,1|2,0,0]=4 1919 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [0,1,0,0,0,1|2,0,0]=4 1920 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [0,1,0,0,0,1|2,0,0]=4 1921 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1922 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [0,1,0,0,0,1|2,0,0]=4 1923 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [0,1,0,0,0,1|2,0,0]=4 1924 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [0,1,0,0,0,1|2,0,0]=4 1925 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [0,1,0,0,0,1|2,0,0]=4 1926 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [0,1,0,0,0,1|2,0,0]=4 1927 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [0,1,0,0,0,1|2,0,0]=4 1928 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [0,1,0,0,0,1|2,0,0]=4 1929 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [0,1,0,0,0,1|2,0,0]=4 1930 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [0,1,0,0,0,1|2,0,0]=4 1931 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [0,1,0,0,0,1|2,0,0]=4 1932 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [0,1,0,0,0,1|2,0,0]=4 1933 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [0,1,0,0,0,1|2,0,0]=4 1934 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [0,1,0,0,0,1|2,0,0]=4 1935 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [0,1,0,0,0,1|2,0,0]=4 1936 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [0,1,0,0,0,1|2,0,0]=4 1937 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [0,1,0,0,0,1|2,0,0]=4 1938 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [0,1,0,0,0,1|2,0,0]=4 1939 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [0,1,0,0,0,1|2,0,0]=4 1940 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [0,1,0,0,0,1|2,0,0]=4 1941 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [0,1,0,0,0,1|2,0,0]=4 1942 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [0,1,0,0,0,1|2,0,0]=4 1943 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [0,1,0,0,0,1|2,0,0]=4 1944 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [0,1,0,0,0,1|2,0,0]=4 1945 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [0,1,0,0,0,1|2,0,0]=4 1946 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [0,1,0,0,0,1|2,0,0]=4 1947 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [0,1,0,0,0,1|2,0,0]=4 1948 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [0,1,0,0,0,1|2,0,0]=4 1949 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [0,1,0,0,0,1|2,0,0]=4 1950 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [0,1,0,0,0,1|2,0,0]=4 1951 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [0,1,0,0,0,1|2,0,0]=4 1952 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [0,1,0,0,0,1|2,0,0]=4 1953 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [0,1,0,0,0,1|2,0,0]=4 1954 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [0,1,0,0,0,1|2,0,0]=4 1955 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [0,1,0,0,0,1|2,0,0]=4 1956 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [0,1,0,0,0,1|2,0,0]=4 1957 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [0,1,0,0,0,1|2,0,0]=4 1958 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [0,1,0,0,0,1|2,0,0]=4 1959 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [0,1,0,0,0,1|2,0,0]=4 1960 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [0,1,0,0,0,1|2,0,0]=4 1961 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [0,1,0,0,0,1|2,0,0]=4 1962 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [0,1,0,0,0,1|2,0,0]=4 1963 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [0,1,0,0,0,1|2,0,0]=4 1964 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [0,1,0,0,0,1|2,0,0]=4 1965 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [0,1,0,0,0,1|2,0,0]=4 1966 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [0,1,0,0,0,1|2,0,0]=4 1967 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [0,1,0,0,0,1|2,0,0]=4 1968 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [0,1,0,0,0,1|2,0,0]=4 1969 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [0,1,0,0,0,1|2,0,0]=4 1970 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [0,1,0,0,0,1|2,0,0]=4 1971 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [0,1,0,0,0,1|2,0,0]=4 1972 B9R1.15 [13CH3]Sc1ncncc1F 62a_100000069762_200025704644 [0,1,0,0,0,1|2,0,0]=4 1973 B9R1.15 [13CH3]Sc1ncncc1F 62a_200025704644_100000069762 [0,1,0,0,0,1|2,0,0]=4 1974 B9R1.15 [13CH3]Sc1ncncc1N 62a_100000709731_200025704644 [0,1,0,0,0,1|2,0,0]=4 1975 B9R1.15 [13CH3]Sc1ncncc1N 62a_200025704644_100000709731 [0,1,0,0,0,1|2,0,0]=4 1976 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [0,2,0,0,0,0|0,1,1]=4 1977 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [0,2,0,0,0,0|0,1,1]=4 1978 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,2,0,0,0,0|0,1,1]=4 1979 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,2,0,0,0,0|0,1,0]=3 1980 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,2,0,0,0,0|2,0,0]=4 1981 B9R1.7 CCCc1ncc([nH]1)O 271570a_203496583355_200009820212 [0,2,0,0,0,0|2,0,0]=4 1982 B9R1.7 CCCn1cc(cn1)O 271570a_203496583355_100011400188 [0,2,0,0,0,0|2,0,0]=4 1983 B9R1.7 CCCn1ccc(n1)O 271570a_203496583355_100012457951 [0,2,0,0,0,0|2,0,0]=4 1984 B9R1.7 CCNc1nnc(o1)C 27a_100015525214_100000708914 [0,2,0,0,0,0|2,0,0]=4 1985 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [0,2,0,0,0,0|2,0,0]=4 1986 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [0,2,0,0,0,0|1,1,0]=4 1987 B9R1.7 CCSc1c[nH]c(n1)C 62a_100000210202_100009814057 [0,2,0,0,0,0|2,0,0]=4 1988 B9R1.7 CCSc1c[nH]c(n1)C 62a_100009814057_100000210202 [0,2,0,0,0,0|2,0,0]=4 1989 B9R1.7 CCSc1cc([nH]n1)C 62a_100000210202_100009819999 [0,2,0,0,0,0|2,0,0]=4 1990 B9R1.7 CCSc1cc([nH]n1)C 62a_100009819999_100000210202 [0,2,0,0,0,0|2,0,0]=4 1991 B9R1.7 CCSc1cc([nH]n1)N 62a_100000210202_100009822546 [0,2,0,0,0,0|2,0,0]=4 1992 B9R1.7 CCSc1cc([nH]n1)N 62a_100009822546_100000210202 [0,2,0,0,0,0|2,0,0]=4 1993 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,2,0,0,0,0|0,1,0]=3 1994 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,2,0,0,0,0|0,1,0]=3 1995 B9R1.7 CCSc1cc(n[nH]1)Br 62a_100000210202_100160470719 [0,2,0,0,0,0|2,0,0]=4 1996 B9R1.7 CCSc1cc(n[nH]1)Br 62a_100160470719_100000210202 [0,2,0,0,0,0|2,0,0]=4 1997 B9R1.7 CCSc1cc(ns1)C 62a_100000210202_100009815735 [0,2,0,0,0,0|1,1,0]=4 1998 B9R1.7 CCSc1cc(ns1)C 62a_100009815735_100000210202 [0,2,0,0,0,0|1,1,0]=4 1999 B9R1.7 CCSc1cc(on1)C 62a_100000210202_100000716708 [0,2,0,0,0,0|2,0,0]=4 2000 B9R1.7 CCSc1cc(on1)C 62a_100000716708_100000210202 [0,2,0,0,0,0|2,0,0]=4 2001 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,2,0,0,0,0|0,1,0]=3 2002 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,2,0,0,0,0|0,1,0]=3 2003 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,2,0,0,0,0|0,1,0]=3 2004 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,2,0,0,0,0|0,1,0]=3 2005 B9R1.7 CCSc1ccn(n1)C 62a_100000210202_100000752436 [0,2,0,0,0,0|2,0,0]=4 2006 B9R1.7 CCSc1ccn(n1)C 62a_100000752436_100000210202 [0,2,0,0,0,0|2,0,0]=4 2007 B9R1.7 CCSc1cn(cn1)C 62a_100000040308_100000210202 [0,2,0,0,0,0|2,0,0]=4 2008 B9R1.7 CCSc1cn(cn1)C 62a_100000210202_100000040308 [0,2,0,0,0,0|2,0,0]=4 2009 B9R1.7 CCSc1cnc(s1)Br 62a_100000210202_100012357534 [0,2,0,0,0,0|1,1,0]=4 2010 B9R1.7 CCSc1cnc(s1)Br 62a_100012357534_100000210202 [0,2,0,0,0,0|1,1,0]=4 2011 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,2,0,0,0,0|1,1,0]=4 2012 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,2,0,0,0,0|1,1,0]=4 2013 B9R1.7 CCSc1cnc(s1)N 62a_100000210202_100000718969 [0,2,0,0,0,0|1,1,0]=4 2014 B9R1.7 CCSc1cnc(s1)N 62a_100000718969_100000210202 [0,2,0,0,0,0|1,1,0]=4 2015 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [0,2,0,0,0,0|2,0,0]=4 2016 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [0,2,0,0,0,0|2,0,0]=4 2017 B9R1.7 CCSc1csc(n1)C 62a_100000210202_100011934587 [0,2,0,0,0,0|2,0,0]=4 2018 B9R1.7 CCSc1csc(n1)C 62a_100011934587_100000210202 [0,2,0,0,0,0|2,0,0]=4 2019 B9R1.7 CCSc1csc(n1)N 62a_100000210202_100011998049 [0,2,0,0,0,0|2,0,0]=4 2020 B9R1.7 CCSc1csc(n1)N 62a_100011998049_100000210202 [0,2,0,0,0,0|2,0,0]=4 2021 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [0,2,0,0,0,0|2,0,0]=4 2022 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [0,2,0,0,0,0|2,0,0]=4 2023 B9R1.7 CCSc1nc(cs1)Br 62a_100000210202_200016082925 [0,2,0,0,0,0|1,1,0]=4 2024 B9R1.7 CCSc1nc(cs1)Br 62a_200016082925_100000210202 [0,2,0,0,0,0|1,1,0]=4 2025 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [0,2,0,0,0,0|1,1,0]=4 2026 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [0,2,0,0,0,0|1,1,0]=4 2027 B9R1.7 CCSc1nc(cs1)N 62a_100000210202_200015188442 [0,2,0,0,0,0|1,1,0]=4 2028 B9R1.7 CCSc1nc(cs1)N 62a_200015188442_100000210202 [0,2,0,0,0,0|1,1,0]=4 2029 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,2,0,0,0,0|1,1,0]=4 2030 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,2,0,0,0,0|1,1,0]=4 2031 B9R1.7 CCSc1nnc(o1)C 62a_100000210202_100000708914 [0,2,0,0,0,0|2,0,0]=4 2032 B9R1.7 CNCC1=CC(=O)OC1 34a_100102657272_100000716558 [0,2,0,0,0,0|2,0,0]=4 2033 B9R1.7 CNCc1c[nH]c(n1)C 207a_100102657272_100011219055 [0,2,0,0,0,0|2,0,0]=4 2034 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [0,2,0,0,0,0|1,0,0]=3 2035 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [0,2,0,0,0,0|0,0,0]=2 2036 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [0,2,0,0,0,0|0,1,0]=3 2037 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [0,2,0,0,0,0|0,1,0]=3 2038 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [0,2,0,0,0,0|0,1,0]=3 2039 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [0,2,0,0,0,0|0,1,0]=3 2040 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [0,2,0,0,0,0|0,1,0]=3 2041 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [0,2,0,0,0,0|0,1,0]=3 2042 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [0,2,0,0,0,0|0,1,0]=3 2043 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,2,0,0,0,0|0,1,0]=3 2044 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,2,0,0,0,0|0,1,0]=3 2045 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,2,0,0,0,0|0,1,0]=3 2046 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,2,0,0,0,0|0,1,0]=3 2047 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [0,2,0,0,0,0|0,1,0]=3 2048 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [0,2,0,0,0,0|0,1,0]=3 2049 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [0,2,0,0,0,0|0,1,0]=3 2050 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [0,2,0,0,0,0|0,1,0]=3 2051 B9R1.7 CNCc1cc(n[nH]1)C 207a_100102657272_100000028150 [0,2,0,0,0,0|2,0,0]=4 2052 B9R1.7 CNCc1cc(n[nH]1)C 270004a_106832991635_100000028150 [0,2,0,0,0,0|2,0,0]=4 2053 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [0,2,0,0,0,0|1,0,0]=3 2054 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [0,2,0,0,0,0|1,0,0]=3 2055 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [0,2,0,0,0,0|1,0,0]=3 2056 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [0,2,0,0,0,0|1,0,0]=3 2057 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [0,2,0,0,0,0|1,0,0]=3 2058 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [0,2,0,0,0,0|1,0,0]=3 2059 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [0,2,0,0,0,0|1,0,0]=3 2060 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [0,2,0,0,0,0|1,0,0]=3 2061 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [0,2,0,0,0,0|1,0,0]=3 2062 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [0,2,0,0,0,0|1,0,0]=3 2063 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [0,2,0,0,0,0|1,0,0]=3 2064 B9R1.7 CNCc1cc(on1)C 207a_100102657272_100011217994 [0,2,0,0,0,0|2,0,0]=4 2065 B9R1.7 CNCc1cc(on1)C 2230a_100000745230_200000210301 [0,2,0,0,0,0|2,0,0]=4 2066 B9R1.7 CNCc1cc(on1)C 2230a_106832991635_100000199038 [0,2,0,0,0,0|2,0,0]=4 2067 B9R1.7 CNCc1cc(on1)C 270004a_106832991635_100011217994 [0,2,0,0,0,0|2,0,0]=4 2068 B9R1.7 CNCc1cc(on1)C 34a_100000745230_200000210301 [0,2,0,0,0,0|2,0,0]=4 2069 B9R1.7 CNCc1cc(on1)C 34a_100102657272_100000199038 [0,2,0,0,0,0|2,0,0]=4 2070 B9R1.7 CNCc1cc(on1)C 7a_106832991635_100000199038 [0,2,0,0,0,0|2,0,0]=4 2071 B9R1.7 CNCc1cc(sn1)C 207a_100102657272_200000100279 [0,2,0,0,0,0|2,0,0]=4 2072 B9R1.7 CNCc1cc(sn1)C 270004a_106832991635_200000100279 [0,2,0,0,0,0|2,0,0]=4 2073 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,2,0,0,0,0|0,0,0]=2 2074 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,2,0,0,0,0|0,0,0]=2 2075 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,2,0,0,0,0|0,0,0]=2 2076 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,2,0,0,0,0|0,0,0]=2 2077 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,2,0,0,0,0|0,0,0]=2 2078 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,2,0,0,0,0|0,0,0]=2 2079 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,2,0,0,0,0|0,0,0]=2 2080 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,2,0,0,0,0|0,0,0]=2 2081 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,2,0,0,0,0|0,0,0]=2 2082 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,2,0,0,0,0|0,0,0]=2 2083 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,2,0,0,0,0|0,1,0]=3 2084 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,2,0,0,0,0|0,1,0]=3 2085 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,2,0,0,0,0|0,1,0]=3 2086 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,2,0,0,0,0|0,1,0]=3 2087 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,2,0,0,0,0|0,1,0]=3 2088 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,2,0,0,0,0|0,1,0]=3 2089 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,2,0,0,0,0|0,1,0]=3 2090 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,2,0,0,0,0|0,1,0]=3 2091 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,2,0,0,0,0|0,1,0]=3 2092 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,2,0,0,0,0|0,1,0]=3 2093 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,2,0,0,0,0|0,1,0]=3 2094 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,2,0,0,0,0|0,1,0]=3 2095 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,2,0,0,0,0|0,1,0]=3 2096 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,2,0,0,0,0|0,1,0]=3 2097 B9R1.7 CNCc1ccn(n1)C 207a_100102657272_100000750880 [0,2,0,0,0,0|2,0,0]=4 2098 B9R1.7 CNCc1ccn(n1)C 2230a_100020636201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B9R1.7 CNCc1ccn(n1)C 2230a_106832991635_100000726502 [0,2,0,0,0,0|2,0,0]=4 2100 B9R1.7 CNCc1ccn(n1)C 270004a_106832991635_100000750880 [0,2,0,0,0,0|2,0,0]=4 2101 B9R1.7 CNCc1ccn(n1)C 34a_100020636201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2102 B9R1.7 CNCc1ccn(n1)C 34a_100102657272_100000726502 [0,2,0,0,0,0|2,0,0]=4 2103 B9R1.7 CNCc1ccn(n1)C 7a_106832991635_100000726502 [0,2,0,0,0,0|2,0,0]=4 2104 B9R1.7 CNCc1cn(cn1)C 207a_100102657272_100000684808 [0,2,0,0,0,0|2,0,0]=4 2105 B9R1.7 CNCc1cn(cn1)C 2230a_106832991635_100000717665 [0,2,0,0,0,0|2,0,0]=4 2106 B9R1.7 CNCc1cn(cn1)C 270004a_106832991635_100000684808 [0,2,0,0,0,0|2,0,0]=4 2107 B9R1.7 CNCc1cn(cn1)C 34a_100102657272_100000717665 [0,2,0,0,0,0|2,0,0]=4 2108 B9R1.7 CNCc1cn(cn1)C 7a_106832991635_100000717665 [0,2,0,0,0,0|2,0,0]=4 2109 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,2,0,0,0,0|1,0,0]=3 2110 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,2,0,0,0,0|1,0,0]=3 2111 B9R1.7 CNCc1cnc(s1)Br 2230a_100000726991_200000210301 [0,2,0,0,0,0|1,1,0]=4 2112 B9R1.7 CNCc1cnc(s1)Br 2230a_106832991635_100000717027 [0,2,0,0,0,0|1,1,0]=4 2113 B9R1.7 CNCc1cnc(s1)Br 270004a_106832991635_100009814069 [0,2,0,0,0,0|1,1,0]=4 2114 B9R1.7 CNCc1cnc(s1)Br 34a_100102657272_100000717027 [0,2,0,0,0,0|1,1,0]=4 2115 B9R1.7 CNCc1cnc(s1)Br 7a_106832991635_100000717027 [0,2,0,0,0,0|1,1,0]=4 2116 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,2,0,0,0,0|1,1,0]=4 2117 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,2,0,0,0,0|1,1,0]=4 2118 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,2,0,0,0,0|1,1,0]=4 2119 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,2,0,0,0,0|1,1,0]=4 2120 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,2,0,0,0,0|1,1,0]=4 2121 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,2,0,0,0,0|1,1,0]=4 2122 B9R1.7 CNCc1cnc(s1)Cl 2230a_100000726635_200000210301 [0,2,0,0,0,0|1,1,0]=4 2123 B9R1.7 CNCc1cnc(s1)Cl 2230a_106832991635_100000058068 [0,2,0,0,0,0|1,1,0]=4 2124 B9R1.7 CNCc1cnc(s1)Cl 270004a_106832991635_100000696999 [0,2,0,0,0,0|1,1,0]=4 2125 B9R1.7 CNCc1cnc(s1)Cl 34a_100102657272_100000058068 [0,2,0,0,0,0|1,1,0]=4 2126 B9R1.7 CNCc1cnc(s1)Cl 7a_106832991635_100000058068 [0,2,0,0,0,0|1,1,0]=4 2127 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [0,2,0,0,0,0|2,0,0]=4 2128 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [0,2,0,0,0,0|2,0,0]=4 2129 B9R1.7 CNCc1csc(c1)Br 207a_100102657272_100000737087 [0,2,0,0,0,0|2,0,0]=4 2130 B9R1.7 CNCc1csc(c1)Br 270004a_106832991635_100000737087 [0,2,0,0,0,0|2,0,0]=4 2131 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [0,2,0,0,0,0|2,0,0]=4 2132 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [0,2,0,0,0,0|2,0,0]=4 2133 B9R1.7 CNCc1csc(c1)Cl 207a_100102657272_100009844934 [0,2,0,0,0,0|2,0,0]=4 2134 B9R1.7 CNCc1csc(c1)Cl 270004a_106832991635_100009844934 [0,2,0,0,0,0|2,0,0]=4 2135 B9R1.7 CNCc1csc(n1)Br 270004a_106832991635_100009816748 [0,2,0,0,0,0|2,0,0]=4 2136 B9R1.7 CNCc1csc(n1)C 207a_100102657272_100000203724 [0,2,0,0,0,0|2,0,0]=4 2137 B9R1.7 CNCc1csc(n1)C 2230a_106832991635_100015186478 [0,2,0,0,0,0|2,0,0]=4 2138 B9R1.7 CNCc1csc(n1)C 270004a_106832991635_100000203724 [0,2,0,0,0,0|2,0,0]=4 2139 B9R1.7 CNCc1csc(n1)C 34a_100000707933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2140 B9R1.7 CNCc1csc(n1)C 34a_100102657272_100015186478 [0,2,0,0,0,0|2,0,0]=4 2141 B9R1.7 CNCc1csc(n1)C 7a_106832991635_100015186478 [0,2,0,0,0,0|2,0,0]=4 2142 B9R1.7 CNCc1csc(n1)Cl 2230a_106832991635_100000024076 [0,2,0,0,0,0|2,0,0]=4 2143 B9R1.7 CNCc1csc(n1)Cl 270004a_106832991635_100011935135 [0,2,0,0,0,0|2,0,0]=4 2144 B9R1.7 CNCc1csc(n1)Cl 34a_100102657272_100000024076 [0,2,0,0,0,0|2,0,0]=4 2145 B9R1.7 CNCc1csc(n1)Cl 7a_106832991635_100000024076 [0,2,0,0,0,0|2,0,0]=4 2146 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [0,2,0,0,0,0|2,0,0]=4 2147 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [0,2,0,0,0,0|2,0,0]=4 2148 B9R1.7 CNCc1nc(cs1)Br 270004a_106832991635_100009816814 [0,2,0,0,0,0|1,1,0]=4 2149 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [0,2,0,0,0,0|1,1,0]=4 2150 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [0,2,0,0,0,0|1,1,0]=4 2151 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [0,2,0,0,0,0|1,1,0]=4 2152 B9R1.7 CNCc1nc(no1)C 2230a_106832991635_100000735555 [0,2,0,0,0,0|2,0,0]=4 2153 B9R1.7 CNCc1nc(no1)C 34a_100102657272_100000735555 [0,2,0,0,0,0|2,0,0]=4 2154 B9R1.7 CNCc1nc(no1)C 7a_106832991635_100000735555 [0,2,0,0,0,0|2,0,0]=4 2155 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,2,0,0,0,0|1,0,0]=3 2156 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,2,0,0,0,0|1,0,0]=3 2157 B9R1.7 CNCc1ncc(s1)Br 270004a_106832991635_100000699580 [0,2,0,0,0,0|1,1,0]=4 2158 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,2,0,0,0,0|1,1,0]=4 2159 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,2,0,0,0,0|1,1,0]=4 2160 B9R1.7 CNCc1ncc(s1)Cl 270004a_106832991635_100000699884 [0,2,0,0,0,0|1,1,0]=4 2161 B9R1.7 CNCc1nnc(o1)C 2230a_106832991635_100000181450 [0,2,0,0,0,0|2,0,0]=4 2162 B9R1.7 CNCc1nnc(o1)C 2230a_200000236979_200000210301 [0,2,0,0,0,0|2,0,0]=4 2163 B9R1.7 CNCc1nnc(o1)C 34a_200000236979_200000210301 [0,2,0,0,0,0|2,0,0]=4 2164 B9R1.7 CNCc1nnc(o1)C 7a_106832991635_100000181450 [0,2,0,0,0,0|2,0,0]=4 2165 B9R1.7 COCC1=CC(=O)OC1 34a_100138415774_100000716558 [0,2,0,0,0,0|2,0,0]=4 2166 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [0,2,0,0,0,0|0,1,0]=3 2167 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [0,2,0,0,0,0|0,1,0]=3 2168 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [0,2,0,0,0,0|0,1,0]=3 2169 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,2,0,0,0,0|0,1,0]=3 2170 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,2,0,0,0,0|0,1,0]=3 2171 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,2,0,0,0,0|0,1,0]=3 2172 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [0,2,0,0,0,0|1,0,0]=3 2173 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,2,0,0,0,0|1,0,0]=3 2174 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,2,0,0,0,0|1,0,0]=3 2175 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [0,2,0,0,0,0|2,0,0]=4 2176 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [0,2,0,0,0,0|2,0,0]=4 2177 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,2,0,0,0,0|0,0,0]=2 2178 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,2,0,0,0,0|0,0,0]=2 2179 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,2,0,0,0,0|0,0,0]=2 2180 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,2,0,0,0,0|0,0,0]=2 2181 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,2,0,0,0,0|0,1,0]=3 2182 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,2,0,0,0,0|0,1,0]=3 2183 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,2,0,0,0,0|0,1,0]=3 2184 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [0,2,0,0,0,0|2,0,0]=4 2185 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [0,2,0,0,0,0|2,0,0]=4 2186 B9R1.7 COCc1cn(cn1)C 34a_100000710007_200000210301 [0,2,0,0,0,0|2,0,0]=4 2187 B9R1.7 COCc1cn(cn1)C 34a_100138415774_100000717665 [0,2,0,0,0,0|2,0,0]=4 2188 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,2,0,0,0,0|1,1,0]=4 2189 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,2,0,0,0,0|1,1,0]=4 2190 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,2,0,0,0,0|1,1,0]=4 2191 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,2,0,0,0,0|1,1,0]=4 2192 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,2,0,0,0,0|1,1,0]=4 2193 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,2,0,0,0,0|1,1,0]=4 2194 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,2,0,0,0,0|1,1,0]=4 2195 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [0,2,0,0,0,0|2,0,0]=4 2196 B9R1.7 COCc1csc(c1)Cl 34a_100009863405_200000210301 [0,2,0,0,0,0|2,0,0]=4 2197 B9R1.7 COCc1csc(c1)Cl 7a_100009863405_200000210301 [0,2,0,0,0,0|2,0,0]=4 2198 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [0,2,0,0,0,0|2,0,0]=4 2199 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [0,2,0,0,0,0|2,0,0]=4 2200 B9R1.7 COCc1csc(n1)Cl 34a_100138415774_100000024076 [0,2,0,0,0,0|2,0,0]=4 2201 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [0,2,0,0,0,0|1,1,0]=4 2202 B9R1.7 COCc1nc(no1)C 270196a_100000212224_100000210968 [0,2,0,0,0,0|2,0,0]=4 2203 B9R1.7 COCc1nc(no1)C 34a_100000749583_200000210301 [0,2,0,0,0,0|2,0,0]=4 2204 B9R1.7 COCc1nc(no1)C 34a_100138415774_100000735555 [0,2,0,0,0,0|2,0,0]=4 2205 B9R1.7 COCc1nnc(o1)C 34a_100000749586_200000210301 [0,2,0,0,0,0|2,0,0]=4 2206 B9R1.7 COCn1cc(cn1)Cl 34a_100000732729_200000210301 [0,2,0,0,0,0|2,0,0]=4 2207 B9R1.7 CSCC1=CC(=O)OC1 62a_100000716558_200000210301 [0,2,0,0,0,0|2,0,0]=4 2208 B9R1.7 CSCC1=CC(=O)OC1 62a_200000210301_100000716558 [0,2,0,0,0,0|2,0,0]=4 2209 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [0,2,0,0,0,0|0,1,0]=3 2210 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [0,2,0,0,0,0|0,1,0]=3 2211 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [0,2,0,0,0,0|1,0,0]=3 2212 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [0,2,0,0,0,0|1,0,0]=3 2213 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [0,2,0,0,0,0|1,0,0]=3 2214 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [0,2,0,0,0,0|1,0,0]=3 2215 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [0,2,0,0,0,0|2,0,0]=4 2216 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [0,2,0,0,0,0|2,0,0]=4 2217 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,2,0,0,0,0|0,1,0]=3 2218 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,2,0,0,0,0|0,1,0]=3 2219 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,2,0,0,0,0|0,1,0]=3 2220 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,2,0,0,0,0|0,1,0]=3 2221 B9R1.7 CSCc1ccn(n1)C 62a_100000726502_200000210301 [0,2,0,0,0,0|2,0,0]=4 2222 B9R1.7 CSCc1ccn(n1)C 62a_200000210301_100000726502 [0,2,0,0,0,0|2,0,0]=4 2223 B9R1.7 CSCc1cn(cn1)C 62a_100000717665_200000210301 [0,2,0,0,0,0|2,0,0]=4 2224 B9R1.7 CSCc1cn(cn1)C 62a_200000210301_100000717665 [0,2,0,0,0,0|2,0,0]=4 2225 B9R1.7 CSCc1cnc(s1)Br 62a_100000717027_200000210301 [0,2,0,0,0,0|1,1,0]=4 2226 B9R1.7 CSCc1cnc(s1)Br 62a_200000210301_100000717027 [0,2,0,0,0,0|1,1,0]=4 2227 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,2,0,0,0,0|1,1,0]=4 2228 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,2,0,0,0,0|1,1,0]=4 2229 B9R1.7 CSCc1cnc(s1)Cl 62a_100000058068_200000210301 [0,2,0,0,0,0|1,1,0]=4 2230 B9R1.7 CSCc1cnc(s1)Cl 62a_200000210301_100000058068 [0,2,0,0,0,0|1,1,0]=4 2231 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [0,2,0,0,0,0|2,0,0]=4 2232 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [0,2,0,0,0,0|2,0,0]=4 2233 B9R1.7 CSCc1csc(n1)Cl 62a_100000024076_200000210301 [0,2,0,0,0,0|2,0,0]=4 2234 B9R1.7 CSCc1csc(n1)Cl 62a_200000210301_100000024076 [0,2,0,0,0,0|2,0,0]=4 2235 B9R1.7 CSCc1nc(no1)C 270196a_100000212224_100000184570 [0,2,0,0,0,0|2,0,0]=4 2236 B9R1.7 CSCc1nc(no1)C 62a_100000735555_200000210301 [0,2,0,0,0,0|2,0,0]=4 2237 B9R1.7 CSCc1nc(no1)C 62a_200000210301_100000735555 [0,2,0,0,0,0|2,0,0]=4 2238 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,2,0,0,0,0|2,0,0]=4 2239 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,2,0,0,0,0|2,0,0]=4 2240 B9R1.7 Cc1cc(no1)CN[13CH3] 2230a_100000745230_200025704644 [0,2,0,0,0,0|2,0,0]=4 2241 B9R1.7 Cc1cc(no1)CN[13CH3] 34a_100000745230_200025704644 [0,2,0,0,0,0|2,0,0]=4 2242 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [0,2,0,0,0,0|2,0,0]=4 2243 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [0,2,0,0,0,0|2,0,0]=4 2244 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [0,2,0,0,0,0|2,0,0]=4 2245 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [0,2,0,0,0,0|1,0,0]=3 2246 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [0,2,0,0,0,0|1,0,0]=3 2247 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,2,0,0,0,0|1,0,0]=3 2248 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [0,2,0,0,0,0|1,0,0]=3 2249 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [0,2,0,0,0,0|1,0,0]=3 2250 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,2,0,0,0,0|0,0,0]=2 2251 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,2,0,0,0,0|0,0,0]=2 2252 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,2,0,0,0,0|0,0,0]=2 2253 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,2,0,0,0,0|0,1,0]=3 2254 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,2,0,0,0,0|0,1,0]=3 2255 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,2,0,0,0,0|1,1,0]=4 2256 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,2,0,0,0,0|1,1,0]=4 2257 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,2,0,0,0,0|1,0,0]=3 2258 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,2,0,0,0,0|1,0,0]=3 2259 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,2,0,0,0,0|0,1,0]=3 2260 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,2,0,0,0,0|0,1,0]=3 2261 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,2,0,0,0,0|0,1,0]=3 2262 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,2,0,0,0,0|0,1,0]=3 2263 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [0,2,0,0,0,0|1,1,0]=4 2264 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [0,2,0,0,0,0|1,1,0]=4 2265 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [0,2,0,0,0,0|1,1,0]=4 2266 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [0,2,0,0,0,0|2,0,0]=4 2267 B9R1.7 Cc1nc(cs1)CN[13CH3] 34a_100000707933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2268 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [0,2,0,0,0,0|2,0,0]=4 2269 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [0,2,0,0,0,0|2,0,0]=4 2270 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [0,2,0,0,0,0|2,0,0]=4 2271 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,2,0,0,0,0|1,1,0]=4 2272 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,2,0,0,0,0|1,1,0]=4 2273 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,2,0,0,0,0|1,1,0]=4 2274 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,2,0,0,0,0|1,1,0]=4 2275 B9R1.7 Cc1nnc(o1)CN[13CH3] 2230a_200000236979_200025704644 [0,2,0,0,0,0|2,0,0]=4 2276 B9R1.7 Cc1nnc(o1)CN[13CH3] 34a_200000236979_200025704644 [0,2,0,0,0,0|2,0,0]=4 2277 B9R1.7 Cc1nnc(o1)CO[13CH3] 34a_100000749586_200025704644 [0,2,0,0,0,0|2,0,0]=4 2278 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,2,0,0,0,0|2,0,0]=4 2279 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,2,0,0,0,0|2,0,0]=4 2280 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [0,2,0,0,0,0|2,0,0]=4 2281 B9R1.7 Cc1noc(n1)CO[13CH3] 34a_100000749583_200025704644 [0,2,0,0,0,0|2,0,0]=4 2282 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_100000735555_200025704644 [0,2,0,0,0,0|2,0,0]=4 2283 B9R1.7 Cc1noc(n1)CS[13CH3] 62a_200025704644_100000735555 [0,2,0,0,0,0|2,0,0]=4 2284 B9R1.7 Cn1ccc(n1)CN[13CH3] 2230a_100020636201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2285 B9R1.7 Cn1ccc(n1)CN[13CH3] 34a_100020636201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2286 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [0,2,0,0,0,0|2,0,0]=4 2287 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_100000726502_200025704644 [0,2,0,0,0,0|2,0,0]=4 2288 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_200025704644_100000726502 [0,2,0,0,0,0|2,0,0]=4 2289 B9R1.7 Cn1cnc(c1)CO[13CH3] 34a_100000710007_200025704644 [0,2,0,0,0,0|2,0,0]=4 2290 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_100000717665_200025704644 [0,2,0,0,0,0|2,0,0]=4 2291 B9R1.7 Cn1cnc(c1)CS[13CH3] 62a_200025704644_100000717665 [0,2,0,0,0,0|2,0,0]=4 2292 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,2,0,0,0,0|1,1,0]=4 2293 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,2,0,0,0,0|1,1,0]=4 2294 B9R1.7 N#CCc1cc(cs1)O 271570a_203496583355_100000725765 [0,2,0,0,0,0|0,1,1]=4 2295 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,2,0,0,0,0|0,1,1]=4 2296 B9R1.7 NCCn1cc(cn1)O 271570a_203496583355_100000730845 [0,2,0,0,0,0|2,0,0]=4 2297 B9R1.7 OCCn1cc(cn1)O 271570a_203496583355_100011236722 [0,2,0,0,0,0|2,0,0]=4 2298 B9R1.7 OCCn1ccc(n1)O 271570a_203496583355_200010732121 [0,2,0,0,0,0|2,0,0]=4 2299 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [0,2,0,0,0,0|0,1,0]=3 2300 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [0,2,0,0,0,0|0,1,0]=3 2301 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [0,2,0,0,0,0|1,0,0]=3 2302 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [0,2,0,0,0,0|1,0,0]=3 2303 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,2,0,0,0,0|0,0,0]=2 2304 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,2,0,0,0,0|0,1,0]=3 2305 B9R1.7 [13CH3]NCc1cnc(s1)Br 2230a_100000726991_200025704644 [0,2,0,0,0,0|1,1,0]=4 2306 B9R1.7 [13CH3]NCc1cnc(s1)Cl 2230a_100000726635_200025704644 [0,2,0,0,0,0|1,1,0]=4 2307 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [0,2,0,0,0,0|0,1,0]=3 2308 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [0,2,0,0,0,0|0,1,0]=3 2309 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [0,2,0,0,0,0|1,0,0]=3 2310 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,2,0,0,0,0|0,0,0]=2 2311 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,2,0,0,0,0|0,0,0]=2 2312 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,2,0,0,0,0|1,1,0]=4 2313 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,2,0,0,0,0|1,1,0]=4 2314 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,2,0,0,0,0|1,1,0]=4 2315 B9R1.7 [13CH3]OCc1csc(c1)Cl 34a_100009863405_200025704644 [0,2,0,0,0,0|2,0,0]=4 2316 B9R1.7 [13CH3]OCc1csc(c1)Cl 7a_100009863405_200025704644 [0,2,0,0,0,0|2,0,0]=4 2317 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [0,2,0,0,0,0|1,1,0]=4 2318 B9R1.7 [13CH3]OCn1cc(cn1)Cl 34a_100000732729_200025704644 [0,2,0,0,0,0|2,0,0]=4 2319 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_100000716558_200025704644 [0,2,0,0,0,0|2,0,0]=4 2320 B9R1.7 [13CH3]SCC1=CC(=O)OC1 62a_200025704644_100000716558 [0,2,0,0,0,0|2,0,0]=4 2321 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [0,2,0,0,0,0|0,1,0]=3 2322 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [0,2,0,0,0,0|0,1,0]=3 2323 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [0,2,0,0,0,0|1,0,0]=3 2324 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [0,2,0,0,0,0|1,0,0]=3 2325 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,2,0,0,0,0|0,1,0]=3 2326 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,2,0,0,0,0|0,1,0]=3 2327 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,2,0,0,0,0|0,1,0]=3 2328 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,2,0,0,0,0|0,1,0]=3 2329 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_100000717027_200025704644 [0,2,0,0,0,0|1,1,0]=4 2330 B9R1.7 [13CH3]SCc1cnc(s1)Br 62a_200025704644_100000717027 [0,2,0,0,0,0|1,1,0]=4 2331 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_100000058068_200025704644 [0,2,0,0,0,0|1,1,0]=4 2332 B9R1.7 [13CH3]SCc1cnc(s1)Cl 62a_200025704644_100000058068 [0,2,0,0,0,0|1,1,0]=4 2333 B9R1.7 [13CH3]SCc1csc(n1)Cl 62a_100000024076_200025704644 [0,2,0,0,0,0|2,0,0]=4 2334 B9R1.7 [13CH3]SCc1csc(n1)Cl 62a_200025704644_100000024076 [0,2,0,0,0,0|2,0,0]=4 2335 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,2,0,0,0,0|0,0,2]=4 2336 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,2,0,0,0,0|0,0,2]=4 2337 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,2,0,0,0,0|1,0,0]=3 2338 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,2,0,0,0,0|1,0,0]=3 2339 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,2,0,0,0,0|0,1,0]=3 2340 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,2,0,0,0,0|1,1,0]=4 2341 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,2,0,0,0,0|1,1,0]=4 2342 B9R1.21 C=Cc1ccn(n1)CC 271570a_100011290941_100012350556 [0,2,0,0,0,0|2,0,0]=4 2343 B9R1.21 C=Cc1cnn(c1)CC 271570a_100011290941_100011400201 [0,2,0,0,0,0|2,0,0]=4 2344 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [0,2,0,0,0,0|1,0,1]=4 2345 B9R1.21 C=Cc1csc(c1)CC 271570a_100011290941_100009846239 [0,2,0,0,0,0|0,1,0]=3 2346 B9R1.21 C=Cc1csc(c1)CO 271570a_100011290941_100000238369 [0,2,0,0,0,0|1,1,0]=4 2347 B9R1.21 C=Cc1csc(c1)SC 271570a_100011290941_200010256830 [0,2,0,0,0,0|1,1,0]=4 2348 B9R1.21 C=Cc1noc(n1)CC 271570a_100011290941_100012003642 [0,2,0,0,0,0|2,0,0]=4 2349 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,2,0,0,0,0|0,1,0]=3 2350 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,2,0,0,0,0|0,1,0]=3 2351 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,2,0,0,0,0|0,1,0]=3 2352 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,2,0,0,0,0|0,1,0]=3 2353 B9R1.21 CCc1cc(no1)OC 34a_200009875660_200000210301 [0,2,0,0,0,0|1,0,0]=3 2354 B9R1.21 CCc1cc(no1)O[13CH3] 34a_200009875660_200025704644 [0,2,0,0,0,0|1,0,0]=3 2355 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,2,0,0,0,0|0,1,0]=3 2356 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,2,0,0,0,0|0,1,0]=3 2357 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,2,0,0,0,0|0,1,0]=3 2358 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,2,0,0,0,0|0,1,0]=3 2359 B9R1.21 CCc1nc(no1)CF 270196a_200000032654_100000210414 [0,2,0,0,0,0|2,0,0]=4 2360 B9R1.21 CCc1nc(no1)NC 27a_100102657272_100012003642 [0,2,0,0,0,0|2,0,0]=4 2361 B9R1.21 CCc1nc(no1)SC 62a_100012003642_200000210301 [0,2,0,0,0,0|2,0,0]=4 2362 B9R1.21 CCc1nc(no1)SC 62a_200000210301_100012003642 [0,2,0,0,0,0|2,0,0]=4 2363 B9R1.21 CCc1nc(no1)S[13CH3] 62a_100012003642_200025704644 [0,2,0,0,0,0|2,0,0]=4 2364 B9R1.21 CCc1nc(no1)S[13CH3] 62a_200025704644_100012003642 [0,2,0,0,0,0|2,0,0]=4 2365 B9R1.21 CCc1noc(n1)CC 270196a_200000212204_100000210414 [0,2,0,0,0,0|2,0,0]=4 2366 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [0,2,0,0,0,0|2,0,0]=4 2367 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [0,2,0,0,0,0|2,0,0]=4 2368 B9R1.21 CCn1cc(cn1)SC 62a_100011400201_200000210301 [0,2,0,0,0,0|2,0,0]=4 2369 B9R1.21 CCn1cc(cn1)SC 62a_200000210301_100011400201 [0,2,0,0,0,0|2,0,0]=4 2370 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_100011400201_200025704644 [0,2,0,0,0,0|2,0,0]=4 2371 B9R1.21 CCn1cc(cn1)S[13CH3] 62a_200025704644_100011400201 [0,2,0,0,0,0|2,0,0]=4 2372 B9R1.21 CCn1ccc(n1)SC 62a_100012350556_200000210301 [0,2,0,0,0,0|2,0,0]=4 2373 B9R1.21 CCn1ccc(n1)SC 62a_200000210301_100012350556 [0,2,0,0,0,0|2,0,0]=4 2374 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_100012350556_200025704644 [0,2,0,0,0,0|2,0,0]=4 2375 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_200025704644_100012350556 [0,2,0,0,0,0|2,0,0]=4 2376 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [0,2,0,0,0,0|2,0,0]=4 2377 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [0,2,0,0,0,0|2,0,0]=4 2378 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [0,2,0,0,0,0|1,1,0]=4 2379 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [0,2,0,0,0,0|1,1,0]=4 2380 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [0,2,0,0,0,0|1,1,0]=4 2381 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [0,2,0,0,0,0|1,1,0]=4 2382 B9R1.21 CSc1cc(on1)CN 62a_100015193020_200000210301 [0,2,0,0,0,0|2,0,0]=4 2383 B9R1.21 CSc1cc(on1)CN 62a_200000210301_100015193020 [0,2,0,0,0,0|2,0,0]=4 2384 B9R1.21 CSc1cc(on1)CO 62a_100009816691_200000210301 [0,2,0,0,0,0|2,0,0]=4 2385 B9R1.21 CSc1cc(on1)CO 62a_200000210301_100009816691 [0,2,0,0,0,0|2,0,0]=4 2386 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,2,0,0,0,0|2,0,0]=4 2387 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,2,0,0,0,0|1,0,0]=3 2388 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,2,0,0,0,0|1,0,0]=3 2389 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,2,0,0,0,0|1,0,0]=3 2390 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,2,0,0,0,0|1,0,0]=3 2391 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,2,0,0,0,0|1,0,0]=3 2392 B9R1.21 CSc1ccc(s1)C#N 62a_200000210301_100000737243 [0,2,0,0,0,0|1,1,0]=4 2393 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,2,0,0,0,0|1,1,0]=4 2394 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,2,0,0,0,0|1,1,0]=4 2395 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,2,0,0,0,0|1,1,0]=4 2396 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,2,0,0,0,0|1,1,0]=4 2397 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,2,0,0,0,0|1,1,0]=4 2398 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,2,0,0,0,0|1,1,0]=4 2399 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [0,2,0,0,0,0|1,0,1]=4 2400 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [0,2,0,0,0,0|1,0,1]=4 2401 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [0,2,0,0,0,0|1,1,0]=4 2402 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [0,2,0,0,0,0|1,1,0]=4 2403 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [0,2,0,0,0,0|1,1,0]=4 2404 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [0,2,0,0,0,0|1,1,0]=4 2405 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [0,2,0,0,0,0|1,1,0]=4 2406 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [0,2,0,0,0,0|1,1,0]=4 2407 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [0,2,0,0,0,0|2,0,0]=4 2408 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [0,2,0,0,0,0|2,0,0]=4 2409 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [0,2,0,0,0,0|1,1,0]=4 2410 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [0,2,0,0,0,0|1,1,0]=4 2411 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_100015193020_200025704644 [0,2,0,0,0,0|2,0,0]=4 2412 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_200025704644_100015193020 [0,2,0,0,0,0|2,0,0]=4 2413 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_100009816691_200025704644 [0,2,0,0,0,0|2,0,0]=4 2414 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_200025704644_100009816691 [0,2,0,0,0,0|2,0,0]=4 2415 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,2,0,0,0,0|2,0,0]=4 2416 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,2,0,0,0,0|1,0,0]=3 2417 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,2,0,0,0,0|1,0,0]=3 2418 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,2,0,0,0,0|1,0,0]=3 2419 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,2,0,0,0,0|1,0,0]=3 2420 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,2,0,0,0,0|1,0,0]=3 2421 B9R1.21 [13CH3]Sc1ccc(s1)C#N 62a_200025704644_100000737243 [0,2,0,0,0,0|1,1,0]=4 2422 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,2,0,0,0,0|1,1,0]=4 2423 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,2,0,0,0,0|1,1,0]=4 2424 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,2,0,0,0,0|1,1,0]=4 2425 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,2,0,0,0,0|1,1,0]=4 2426 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,2,0,0,0,0|1,1,0]=4 2427 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,2,0,0,0,0|1,1,0]=4 2428 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [0,2,0,0,0,0|1,0,1]=4 2429 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [0,2,0,0,0,0|1,0,1]=4 2430 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [0,2,0,0,0,0|1,1,0]=4 2431 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [0,2,0,0,0,0|1,1,0]=4 2432 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [0,2,0,0,0,0|1,1,0]=4 2433 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [0,2,0,0,0,0|1,1,0]=4 2434 B9R1.22 CCc1nn(cc1O)C 271570a_203496583355_100012396458 [0,2,0,0,0,0|2,0,0]=4 2435 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [0,2,0,0,0,0|2,0,0]=4 2436 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,2,0,0,0,0|1,1,0]=4 2437 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,2,0,0,0,0|1,1,0]=4 2438 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,2,0,0,0,0|1,1,0]=4 2439 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,2,0,0,0,0|1,1,0]=4 2440 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,2,0,0,0,0|1,0,1]=4 2441 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,2,0,0,0,0|1,0,1]=4 2442 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [0,2,0,0,0,0|1,1,0]=4 2443 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,2,0,0,0,0|1,0,1]=4 2444 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,2,0,0,0,0|1,0,1]=4 2445 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,2,0,0,0,0|1,0,1]=4 2446 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,2,0,0,0,0|1,1,0]=4 2447 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,2,0,0,0,0|1,1,0]=4 2448 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,2,0,0,0,0|1,1,0]=4 2449 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,2,0,0,0,0|1,1,0]=4 2450 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,2,0,0,0,0|1,1,0]=4 2451 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,2,0,0,0,0|0,1,1]=4 2452 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,2,0,0,0,0|0,1,1]=4 2453 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,2,0,0,0,0|0,1,1]=4 2454 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,2,0,0,0,0|0,1,1]=4 2455 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,2,0,0,0,0|1,0,1]=4 2456 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,2,0,0,0,0|0,0,1]=3 2457 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,2,0,0,0,0|0,1,1]=4 2458 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [0,2,0,0,0,0|1,1,0]=4 2459 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [0,2,0,0,0,0|1,1,0]=4 2460 B9R1.35 CC(C)n1cc(cn1)O 271570a_203496583355_100012073297 [0,2,0,0,0,0|2,0,0]=4 2461 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [0,2,0,0,0,0|2,0,0]=4 2462 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [0,2,0,0,0,0|0,1,0]=3 2463 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,2,0,0,0,0|0,1,0]=3 2464 B9R1.35 Cc1noc(n1)C(C)C 270196a_100000212224_100000210198 [0,2,0,0,0,0|2,0,0]=4 2465 B9R1.35 Cc1noc(n1)C(C)F 270196a_100000212224_100000062450 [0,2,0,0,0,0|2,0,0]=4 2466 B9R1.35 Cc1noc(n1)[C@@H](C)O 270196a_100000212224_100000717761 [0,2,0,0,0,0|2,0,0]=4 2467 B9R1.35 Cc1noc(n1)[C@H](C)O 270196a_100000212224_217856618621 [0,2,0,0,0,0|2,0,0]=4 2468 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,2,0,0,0,0|1,0,1]=4 2469 B9R1.35 Oc1ccc(o1)C(F)F 271570a_203496583355_100010688628 [0,2,0,0,0,0|1,0,0]=3 2470 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,2,0,0,0,0|1,1,0]=4 2471 B9R1.35 Oc1csc(c1)C(F)F 271570a_203496583355_100010176050 [0,2,0,0,0,0|1,1,0]=4 2472 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [0,2,0,0,0,0|2,0,0]=4 2473 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,2,0,0,0,0|0,1,0]=3 2474 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,2,0,0,0,0|2,0,0]=4 2475 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,2,0,0,0,0|2,0,0]=4 2476 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,2,0,0,0,0|1,1,0]=4 2477 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,2,0,0,0,0|2,0,0]=4 2478 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,2,0,0,0,0|2,0,0]=4 2479 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,2,0,0,0,0|1,1,0]=4 2480 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,2,0,0,0,0|2,0,0]=4 2481 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,2,0,0,0,0|1,0,0]=3 2482 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,2,0,0,0,0|0,1,0]=3 2483 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,2,0,0,0,0|0,1,0]=3 2484 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,2,0,0,0,0|2,0,0]=4 2485 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,2,0,0,0,0|2,0,0]=4 2486 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,2,0,0,0,0|2,0,0]=4 2487 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,2,0,0,0,0|2,0,0]=4 2488 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [0,2,0,0,0,0|2,0,0]=4 2489 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,2,0,0,0,0|2,0,0]=4 2490 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,2,0,0,0,0|1,1,0]=4 2491 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,2,0,0,0,0|0,0,0]=2 2492 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,2,0,0,0,0|2,0,0]=4 2493 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,2,0,0,0,0|2,0,0]=4 2494 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,2,0,0,0,0|1,1,0]=4 2495 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,2,0,0,0,0|0,0,0]=2 2496 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,2,0,0,0,0|0,0,0]=2 2497 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,2,0,0,0,0|0,1,0]=3 2498 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,2,0,0,0,0|0,0,0]=2 2499 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,2,0,0,0,0|0,1,0]=3 2500 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,2,0,0,0,0|0,0,0]=2 2501 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,2,0,0,0,0|0,0,0]=2 2502 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,2,0,0,0,0|0,1,1]=4 2503 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,2,0,0,0,0|0,1,1]=4 2504 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,2,0,0,0,0|0,1,1]=4 2505 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [0,2,0,0,0,0|2,0,0]=4 2506 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [0,2,0,0,0,0|2,0,0]=4 2507 B9R1.41 Oc1ccsc1C(F)F 271570a_203496583355_100000733619 [0,2,0,0,0,0|1,1,0]=4 2508 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [0,2,0,0,0,0|0,0,1]=3 2509 B9R1.12 C#CCSc1cccs1 62a_100000038162_100011215356 [0,2,0,0,0,0|0,1,1]=4 2510 B9R1.12 C#CCSc1cnco1 62a_100000038162_100020591547 [0,2,0,0,0,0|1,0,1]=4 2511 B9R1.12 C#CCSc1ncco1 62a_100000038162_100011787736 [0,2,0,0,0,0|1,0,1]=4 2512 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [0,2,0,0,0,0|0,0,1]=3 2513 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [0,2,0,0,0,0|0,0,1]=3 2514 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [0,2,0,0,0,0|0,1,1]=4 2515 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [0,2,0,0,0,0|0,1,1]=4 2516 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [0,2,0,0,0,0|1,0,1]=4 2517 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [0,2,0,0,0,0|1,0,1]=4 2518 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [0,2,0,0,0,0|1,0,1]=4 2519 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [0,2,0,0,0,0|1,0,1]=4 2520 B9R1.12 CCCCc1c[nH]cn1 271570a_100020621405_100000756875 [0,2,0,0,0,0|2,0,0]=4 2521 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,2,0,0,0,0|2,0,0]=4 2522 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,2,0,0,0,0|0,0,0]=2 2523 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,2,0,0,0,0|0,1,0]=3 2524 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,2,0,0,0,0|2,0,0]=4 2525 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,2,0,0,0,0|2,0,0]=4 2526 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,2,0,0,0,0|2,0,0]=4 2527 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,2,0,0,0,0|1,0,0]=3 2528 B9R1.12 CCCCc1cncs1 271570a_100020621405_100011934649 [0,2,0,0,0,0|1,1,0]=4 2529 B9R1.12 CCCCc1cscn1 271570a_100020621405_100000751502 [0,2,0,0,0,0|2,0,0]=4 2530 B9R1.12 CCCCc1ncc[nH]1 271570a_100020621405_100025796157 [0,2,0,0,0,0|2,0,0]=4 2531 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,2,0,0,0,0|1,0,0]=3 2532 B9R1.12 CCCCc1nccs1 271570a_100020621405_100000211983 [0,2,0,0,0,0|1,1,0]=4 2533 B9R1.12 CCCOc1ccsc1 34a_100000106738_100000210303 [0,2,0,0,0,0|2,0,0]=4 2534 B9R1.12 CCCOc1ccsc1 7a_100000106738_100000210303 [0,2,0,0,0,0|2,0,0]=4 2535 B9R1.12 CCCSc1c[nH]cn1 62a_100000210303_100000756875 [0,2,0,0,0,0|2,0,0]=4 2536 B9R1.12 CCCSc1c[nH]cn1 62a_100000756875_100000210303 [0,2,0,0,0,0|2,0,0]=4 2537 B9R1.12 CCCSc1cc[nH]n1 62a_100000062575_100000210303 [0,2,0,0,0,0|2,0,0]=4 2538 B9R1.12 CCCSc1cc[nH]n1 62a_100000210303_100000062575 [0,2,0,0,0,0|2,0,0]=4 2539 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,2,0,0,0,0|0,0,0]=2 2540 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,2,0,0,0,0|0,0,0]=2 2541 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [0,2,0,0,0,0|0,1,0]=3 2542 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [0,2,0,0,0,0|0,1,0]=3 2543 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [0,2,0,0,0,0|2,0,0]=4 2544 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [0,2,0,0,0,0|2,0,0]=4 2545 B9R1.12 CCCSc1ccon1 62a_100000210303_100009818083 [0,2,0,0,0,0|2,0,0]=4 2546 B9R1.12 CCCSc1ccon1 62a_100009818083_100000210303 [0,2,0,0,0,0|2,0,0]=4 2547 B9R1.12 CCCSc1ccsc1 62a_100000210303_100000738268 [0,2,0,0,0,0|2,0,0]=4 2548 B9R1.12 CCCSc1ccsc1 62a_100000738268_100000210303 [0,2,0,0,0,0|2,0,0]=4 2549 B9R1.12 CCCSc1ccsn1 62a_100000210303_100009818082 [0,2,0,0,0,0|2,0,0]=4 2550 B9R1.12 CCCSc1ccsn1 62a_100009818082_100000210303 [0,2,0,0,0,0|2,0,0]=4 2551 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [0,2,0,0,0,0|1,0,0]=3 2552 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [0,2,0,0,0,0|1,0,0]=3 2553 B9R1.12 CCCSc1cncs1 62a_100000210303_100011934649 [0,2,0,0,0,0|1,1,0]=4 2554 B9R1.12 CCCSc1cncs1 62a_100011934649_100000210303 [0,2,0,0,0,0|1,1,0]=4 2555 B9R1.12 CCCSc1cscn1 62a_100000210303_100000751502 [0,2,0,0,0,0|2,0,0]=4 2556 B9R1.12 CCCSc1cscn1 62a_100000751502_100000210303 [0,2,0,0,0,0|2,0,0]=4 2557 B9R1.12 CCCSc1ncc[nH]1 62a_100000210303_100025796157 [0,2,0,0,0,0|2,0,0]=4 2558 B9R1.12 CCCSc1ncc[nH]1 62a_100025796157_100000210303 [0,2,0,0,0,0|2,0,0]=4 2559 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [0,2,0,0,0,0|1,0,0]=3 2560 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [0,2,0,0,0,0|1,0,0]=3 2561 B9R1.12 CCCSc1nccs1 62a_100000210303_100000211983 [0,2,0,0,0,0|1,1,0]=4 2562 B9R1.12 CCCSc1nccs1 62a_100000211983_100000210303 [0,2,0,0,0,0|1,1,0]=4 2563 B9R1.12 CCNCc1c[nH]cn1 2230a_100015525214_100000707719 [0,2,0,0,0,0|2,0,0]=4 2564 B9R1.12 CCNCc1cc[nH]n1 207a_100015525214_100000738523 [0,2,0,0,0,0|2,0,0]=4 2565 B9R1.12 CCNCc1cc[nH]n1 270004a_100015525214_100000738523 [0,2,0,0,0,0|2,0,0]=4 2566 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,2,0,0,0,0|0,0,0]=2 2567 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,2,0,0,0,0|0,0,0]=2 2568 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,2,0,0,0,0|0,0,0]=2 2569 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,2,0,0,0,0|0,0,0]=2 2570 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [0,2,0,0,0,0|0,1,0]=3 2571 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [0,2,0,0,0,0|0,1,0]=3 2572 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [0,2,0,0,0,0|0,1,0]=3 2573 B9R1.12 CCNCc1ccn[nH]1 2230a_100015525214_100000728653 [0,2,0,0,0,0|2,0,0]=4 2574 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [0,2,0,0,0,0|2,0,0]=4 2575 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [0,2,0,0,0,0|2,0,0]=4 2576 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [0,2,0,0,0,0|2,0,0]=4 2577 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [0,2,0,0,0,0|2,0,0]=4 2578 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [0,2,0,0,0,0|2,0,0]=4 2579 B9R1.12 CCNCc1ccsc1 207a_100015525214_100000188534 [0,2,0,0,0,0|2,0,0]=4 2580 B9R1.12 CCNCc1ccsc1 2230a_100000186416_100000210202 [0,2,0,0,0,0|2,0,0]=4 2581 B9R1.12 CCNCc1ccsc1 2230a_100015525214_100011261437 [0,2,0,0,0,0|2,0,0]=4 2582 B9R1.12 CCNCc1ccsc1 270004a_100015525214_100000188534 [0,2,0,0,0,0|2,0,0]=4 2583 B9R1.12 CCNCc1ccsc1 34a_100000186416_100000210202 [0,2,0,0,0,0|2,0,0]=4 2584 B9R1.12 CCNCc1cnc[nH]1 207a_100015525214_100000742939 [0,2,0,0,0,0|2,0,0]=4 2585 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [0,2,0,0,0,0|1,0,0]=3 2586 B9R1.12 CCNCc1cncs1 207a_100015525214_100000749870 [0,2,0,0,0,0|1,1,0]=4 2587 B9R1.12 CCNCc1cncs1 2230a_100015525214_100015185245 [0,2,0,0,0,0|1,1,0]=4 2588 B9R1.12 CCNCc1cncs1 2230a_100016987365_100000210202 [0,2,0,0,0,0|1,1,0]=4 2589 B9R1.12 CCNCc1cncs1 270004a_100015525214_100000749870 [0,2,0,0,0,0|1,1,0]=4 2590 B9R1.12 CCNCc1cocn1 270004a_100015525214_100000050382 [0,2,0,0,0,0|2,0,0]=4 2591 B9R1.12 CCNCc1cscn1 207a_100015525214_100000743575 [0,2,0,0,0,0|2,0,0]=4 2592 B9R1.12 CCNCc1cscn1 2230a_100015185402_100000210202 [0,2,0,0,0,0|2,0,0]=4 2593 B9R1.12 CCNCc1cscn1 2230a_100015525214_100000205941 [0,2,0,0,0,0|2,0,0]=4 2594 B9R1.12 CCNCc1cscn1 270004a_100015525214_100000743575 [0,2,0,0,0,0|2,0,0]=4 2595 B9R1.12 CCNCc1ncc[nH]1 207a_100015525214_100000743867 [0,2,0,0,0,0|2,0,0]=4 2596 B9R1.12 CCNCc1ncc[nH]1 2230a_100015525214_100016991755 [0,2,0,0,0,0|2,0,0]=4 2597 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [0,2,0,0,0,0|1,0,0]=3 2598 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [0,2,0,0,0,0|1,0,0]=3 2599 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [0,2,0,0,0,0|1,0,0]=3 2600 B9R1.12 CCNCc1nccs1 207a_100015525214_100000750902 [0,2,0,0,0,0|1,1,0]=4 2601 B9R1.12 CCNCc1nccs1 2230a_100000740555_100000210202 [0,2,0,0,0,0|1,1,0]=4 2602 B9R1.12 CCNCc1nccs1 2230a_100015525214_100015184050 [0,2,0,0,0,0|1,1,0]=4 2603 B9R1.12 CCNCc1nccs1 270004a_100015525214_100000750902 [0,2,0,0,0,0|1,1,0]=4 2604 B9R1.12 CCNN=C1C=CCC1 4a_100000756455_100000239507 [0,2,0,0,0,0|1,0,1]=4 2605 B9R1.12 CCNN=C1CC=CC1 4a_100000756455_100000766571 [0,2,0,0,0,0|1,0,1]=4 2606 B9R1.12 CCOCc1c[nH]cn1 34a_100121572206_100000707719 [0,2,0,0,0,0|2,0,0]=4 2607 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,2,0,0,0,0|0,0,0]=2 2608 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [0,2,0,0,0,0|0,1,0]=3 2609 B9R1.12 CCOCc1ccn[nH]1 34a_100121572206_100000728653 [0,2,0,0,0,0|2,0,0]=4 2610 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,2,0,0,0,0|1,0,0]=3 2611 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [0,2,0,0,0,0|2,0,0]=4 2612 B9R1.12 CCOCc1ccon1 34a_100121572206_100000234950 [0,2,0,0,0,0|2,0,0]=4 2613 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [0,2,0,0,0,0|2,0,0]=4 2614 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [0,2,0,0,0,0|2,0,0]=4 2615 B9R1.12 CCOCc1cncs1 34a_100121572206_100015185245 [0,2,0,0,0,0|1,1,0]=4 2616 B9R1.12 CCOCc1cscn1 34a_100121572206_100000205941 [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.12 CCOCc1ncc[nH]1 34a_100121572206_100016991755 [0,2,0,0,0,0|2,0,0]=4 2618 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [0,2,0,0,0,0|1,0,0]=3 2619 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [0,2,0,0,0,0|1,0,0]=3 2620 B9R1.12 CCOCc1nccs1 34a_100121572206_100015184050 [0,2,0,0,0,0|1,1,0]=4 2621 B9R1.12 CCOCn1cccn1 34a_100000731028_100000210202 [0,2,0,0,0,0|2,0,0]=4 2622 B9R1.12 CCSCc1c[nH]cn1 62a_100000210202_100000707719 [0,2,0,0,0,0|2,0,0]=4 2623 B9R1.12 CCSCc1c[nH]cn1 62a_100000707719_100000210202 [0,2,0,0,0,0|2,0,0]=4 2624 B9R1.12 CCSCc1ccn[nH]1 62a_100000210202_100000728653 [0,2,0,0,0,0|2,0,0]=4 2625 B9R1.12 CCSCc1ccn[nH]1 62a_100000728653_100000210202 [0,2,0,0,0,0|2,0,0]=4 2626 B9R1.12 CCSCc1ccon1 62a_100000210202_100000234950 [0,2,0,0,0,0|2,0,0]=4 2627 B9R1.12 CCSCc1ccon1 62a_100000234950_100000210202 [0,2,0,0,0,0|2,0,0]=4 2628 B9R1.12 CCSCc1ccsc1 62a_100000210202_100011233845 [0,2,0,0,0,0|2,0,0]=4 2629 B9R1.12 CCSCc1ccsc1 62a_100011261437_100000210202 [0,2,0,0,0,0|2,0,0]=4 2630 B9R1.12 CCSCc1cncs1 62a_100000210202_100015185245 [0,2,0,0,0,0|1,1,0]=4 2631 B9R1.12 CCSCc1cncs1 62a_100015185245_100000210202 [0,2,0,0,0,0|1,1,0]=4 2632 B9R1.12 CCSCc1cscn1 62a_100000205941_100000210202 [0,2,0,0,0,0|2,0,0]=4 2633 B9R1.12 CCSCc1cscn1 62a_100000210202_100000205941 [0,2,0,0,0,0|2,0,0]=4 2634 B9R1.12 CCSCc1ncc[nH]1 62a_100000210202_100016991755 [0,2,0,0,0,0|2,0,0]=4 2635 B9R1.12 CCSCc1ncc[nH]1 62a_100016991755_100000210202 [0,2,0,0,0,0|2,0,0]=4 2636 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [0,2,0,0,0,0|1,0,0]=3 2637 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [0,2,0,0,0,0|1,0,0]=3 2638 B9R1.12 CCSCc1nccs1 62a_100000210202_100015184050 [0,2,0,0,0,0|1,1,0]=4 2639 B9R1.12 CCSCc1nccs1 62a_100015184050_100000210202 [0,2,0,0,0,0|1,1,0]=4 2640 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,2,0,0,0,0|2,0,0]=4 2641 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,2,0,0,0,0|2,0,0]=4 2642 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,2,0,0,0,0|0,0,0]=2 2643 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,2,0,0,0,0|0,0,0]=2 2644 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,2,0,0,0,0|0,1,0]=3 2645 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,2,0,0,0,0|0,1,0]=3 2646 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,2,0,0,0,0|0,1,0]=3 2647 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,2,0,0,0,0|0,1,0]=3 2648 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,2,0,0,0,0|0,1,0]=3 2649 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,2,0,0,0,0|2,0,0]=4 2650 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,2,0,0,0,0|2,0,0]=4 2651 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,2,0,0,0,0|1,1,0]=4 2652 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,2,0,0,0,0|1,1,0]=4 2653 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,2,0,0,0,0|2,0,0]=4 2654 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,2,0,0,0,0|2,0,0]=4 2655 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,2,0,0,0,0|2,0,0]=4 2656 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,2,0,0,0,0|2,0,0]=4 2657 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,2,0,0,0,0|2,0,0]=4 2658 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,2,0,0,0,0|2,0,0]=4 2659 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,2,0,0,0,0|2,0,0]=4 2660 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,2,0,0,0,0|0,1,0]=3 2661 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,2,0,0,0,0|0,1,0]=3 2662 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,2,0,0,0,0|0,1,0]=3 2663 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,2,0,0,0,0|2,0,0]=4 2664 B9R1.12 COCCc1ncc[nH]1 34a_103549771195_200000210301 [0,2,0,0,0,0|2,0,0]=4 2665 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,2,0,0,0,0|2,0,0]=4 2666 B9R1.12 COCCn1cccn1 34a_100000743371_200000210301 [0,2,0,0,0,0|2,0,0]=4 2667 B9R1.12 COCCn1cccn1 34a_100138415774_100015204718 [0,2,0,0,0,0|2,0,0]=4 2668 B9R1.12 COCSc1c[nH]cn1 62a_100000756875_100000766300 [0,2,0,0,0,0|2,0,0]=4 2669 B9R1.12 COCSc1c[nH]cn1 62a_100000766300_100000756875 [0,2,0,0,0,0|2,0,0]=4 2670 B9R1.12 COCSc1cc[nH]n1 62a_100000062575_100000766300 [0,2,0,0,0,0|2,0,0]=4 2671 B9R1.12 COCSc1cc[nH]n1 62a_100000766300_100000062575 [0,2,0,0,0,0|2,0,0]=4 2672 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [0,2,0,0,0,0|0,0,0]=2 2673 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [0,2,0,0,0,0|0,0,0]=2 2674 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [0,2,0,0,0,0|0,1,0]=3 2675 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [0,2,0,0,0,0|0,1,0]=3 2676 B9R1.12 COCSc1ccoc1 62a_100000766300_100011215275 [0,2,0,0,0,0|2,0,0]=4 2677 B9R1.12 COCSc1ccoc1 62a_100011215275_100000766300 [0,2,0,0,0,0|2,0,0]=4 2678 B9R1.12 COCSc1ccon1 62a_100000766300_100009818083 [0,2,0,0,0,0|2,0,0]=4 2679 B9R1.12 COCSc1ccon1 62a_100009818083_100000766300 [0,2,0,0,0,0|2,0,0]=4 2680 B9R1.12 COCSc1ccsc1 62a_100000738268_100000766300 [0,2,0,0,0,0|2,0,0]=4 2681 B9R1.12 COCSc1ccsc1 62a_100000766300_100000738268 [0,2,0,0,0,0|2,0,0]=4 2682 B9R1.12 COCSc1ccsn1 62a_100000766300_100009818082 [0,2,0,0,0,0|2,0,0]=4 2683 B9R1.12 COCSc1ccsn1 62a_100009818082_100000766300 [0,2,0,0,0,0|2,0,0]=4 2684 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [0,2,0,0,0,0|1,0,0]=3 2685 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [0,2,0,0,0,0|1,0,0]=3 2686 B9R1.12 COCSc1cncs1 62a_100000766300_100011934649 [0,2,0,0,0,0|1,1,0]=4 2687 B9R1.12 COCSc1cncs1 62a_100011934649_100000766300 [0,2,0,0,0,0|1,1,0]=4 2688 B9R1.12 COCSc1cscn1 62a_100000751502_100000766300 [0,2,0,0,0,0|2,0,0]=4 2689 B9R1.12 COCSc1cscn1 62a_100000766300_100000751502 [0,2,0,0,0,0|2,0,0]=4 2690 B9R1.12 COCSc1ncc[nH]1 62a_100000766300_100025796157 [0,2,0,0,0,0|2,0,0]=4 2691 B9R1.12 COCSc1ncc[nH]1 62a_100025796157_100000766300 [0,2,0,0,0,0|2,0,0]=4 2692 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [0,2,0,0,0,0|1,0,0]=3 2693 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [0,2,0,0,0,0|1,0,0]=3 2694 B9R1.12 COCSc1nccs1 62a_100000211983_100000766300 [0,2,0,0,0,0|1,1,0]=4 2695 B9R1.12 COCSc1nccs1 62a_100000766300_100000211983 [0,2,0,0,0,0|1,1,0]=4 2696 B9R1.12 CSCCc1c[nH]cn1 62a_100020628418_200000210301 [0,2,0,0,0,0|2,0,0]=4 2697 B9R1.12 CSCCc1c[nH]cn1 62a_200000210301_100020628418 [0,2,0,0,0,0|2,0,0]=4 2698 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,2,0,0,0,0|0,1,0]=3 2699 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,2,0,0,0,0|0,1,0]=3 2700 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,2,0,0,0,0|2,0,0]=4 2701 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,2,0,0,0,0|2,0,0]=4 2702 B9R1.12 CSCCn1cccn1 62a_100015204718_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B9R1.12 CSCCn1cccn1 62a_200000210301_100000685285 [0,2,0,0,0,0|2,0,0]=4 2704 B9R1.12 CSCOc1ccsc1 34a_100000106738_100011218213 [0,2,0,0,0,0|2,0,0]=4 2705 B9R1.12 CSCSc1c[nH]cn1 62a_100000756875_100011218213 [0,2,0,0,0,0|2,0,0]=4 2706 B9R1.12 CSCSc1c[nH]cn1 62a_100011218213_100000756875 [0,2,0,0,0,0|2,0,0]=4 2707 B9R1.12 CSCSc1cc[nH]n1 62a_100000062575_100011218213 [0,2,0,0,0,0|2,0,0]=4 2708 B9R1.12 CSCSc1cc[nH]n1 62a_100011218213_100000062575 [0,2,0,0,0,0|2,0,0]=4 2709 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [0,2,0,0,0,0|0,0,0]=2 2710 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [0,2,0,0,0,0|0,0,0]=2 2711 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [0,2,0,0,0,0|0,1,0]=3 2712 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [0,2,0,0,0,0|0,1,0]=3 2713 B9R1.12 CSCSc1ccoc1 62a_100011215275_100011218213 [0,2,0,0,0,0|2,0,0]=4 2714 B9R1.12 CSCSc1ccoc1 62a_100011218213_100011215275 [0,2,0,0,0,0|2,0,0]=4 2715 B9R1.12 CSCSc1ccon1 62a_100009818083_100011218213 [0,2,0,0,0,0|2,0,0]=4 2716 B9R1.12 CSCSc1ccon1 62a_100011218213_100009818083 [0,2,0,0,0,0|2,0,0]=4 2717 B9R1.12 CSCSc1ccsc1 62a_100000738268_100011218213 [0,2,0,0,0,0|2,0,0]=4 2718 B9R1.12 CSCSc1ccsc1 62a_100011218213_100000738268 [0,2,0,0,0,0|2,0,0]=4 2719 B9R1.12 CSCSc1ccsn1 62a_100009818082_100011218213 [0,2,0,0,0,0|2,0,0]=4 2720 B9R1.12 CSCSc1ccsn1 62a_100011218213_100009818082 [0,2,0,0,0,0|2,0,0]=4 2721 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [0,2,0,0,0,0|1,0,0]=3 2722 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [0,2,0,0,0,0|1,0,0]=3 2723 B9R1.12 CSCSc1cncs1 62a_100011218213_100011934649 [0,2,0,0,0,0|1,1,0]=4 2724 B9R1.12 CSCSc1cncs1 62a_100011934649_100011218213 [0,2,0,0,0,0|1,1,0]=4 2725 B9R1.12 CSCSc1cscn1 62a_100000751502_100011218213 [0,2,0,0,0,0|2,0,0]=4 2726 B9R1.12 CSCSc1cscn1 62a_100011218213_100000751502 [0,2,0,0,0,0|2,0,0]=4 2727 B9R1.12 CSCSc1ncc[nH]1 62a_100011218213_100025796157 [0,2,0,0,0,0|2,0,0]=4 2728 B9R1.12 CSCSc1ncc[nH]1 62a_100025796157_100011218213 [0,2,0,0,0,0|2,0,0]=4 2729 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [0,2,0,0,0,0|1,0,0]=3 2730 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [0,2,0,0,0,0|1,0,0]=3 2731 B9R1.12 CSCSc1nccs1 62a_100000211983_100011218213 [0,2,0,0,0,0|1,1,0]=4 2732 B9R1.12 CSCSc1nccs1 62a_100011218213_100000211983 [0,2,0,0,0,0|1,1,0]=4 2733 B9R1.12 FCCOc1ccsc1 34a_100000106738_100011217306 [0,2,0,0,0,0|2,0,0]=4 2734 B9R1.12 FCCOc1ccsc1 7a_100000106738_100011217306 [0,2,0,0,0,0|2,0,0]=4 2735 B9R1.12 FCCSc1c[nH]cn1 62a_100000756875_100011217306 [0,2,0,0,0,0|2,0,0]=4 2736 B9R1.12 FCCSc1c[nH]cn1 62a_100011217306_100000756875 [0,2,0,0,0,0|2,0,0]=4 2737 B9R1.12 FCCSc1cc[nH]n1 62a_100000062575_100011217306 [0,2,0,0,0,0|2,0,0]=4 2738 B9R1.12 FCCSc1cc[nH]n1 62a_100011217306_100000062575 [0,2,0,0,0,0|2,0,0]=4 2739 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [0,2,0,0,0,0|0,0,0]=2 2740 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [0,2,0,0,0,0|0,0,0]=2 2741 B9R1.12 FCCSc1cccs1 62a_100011215356_100011217306 [0,2,0,0,0,0|0,1,0]=3 2742 B9R1.12 FCCSc1cccs1 62a_100011217306_100011215356 [0,2,0,0,0,0|0,1,0]=3 2743 B9R1.12 FCCSc1ccoc1 62a_100011215275_100011217306 [0,2,0,0,0,0|2,0,0]=4 2744 B9R1.12 FCCSc1ccoc1 62a_100011217306_100011215275 [0,2,0,0,0,0|2,0,0]=4 2745 B9R1.12 FCCSc1ccon1 62a_100009818083_100011217306 [0,2,0,0,0,0|2,0,0]=4 2746 B9R1.12 FCCSc1ccon1 62a_100011217306_100009818083 [0,2,0,0,0,0|2,0,0]=4 2747 B9R1.12 FCCSc1ccsc1 62a_100000738268_100011217306 [0,2,0,0,0,0|2,0,0]=4 2748 B9R1.12 FCCSc1ccsc1 62a_100011217306_100000738268 [0,2,0,0,0,0|2,0,0]=4 2749 B9R1.12 FCCSc1ccsn1 62a_100009818082_100011217306 [0,2,0,0,0,0|2,0,0]=4 2750 B9R1.12 FCCSc1ccsn1 62a_100011217306_100009818082 [0,2,0,0,0,0|2,0,0]=4 2751 B9R1.12 FCCSc1cnco1 62a_100011217306_100020591547 [0,2,0,0,0,0|1,0,0]=3 2752 B9R1.12 FCCSc1cnco1 62a_100020591547_100011217306 [0,2,0,0,0,0|1,0,0]=3 2753 B9R1.12 FCCSc1cncs1 62a_100011217306_100011934649 [0,2,0,0,0,0|1,1,0]=4 2754 B9R1.12 FCCSc1cncs1 62a_100011934649_100011217306 [0,2,0,0,0,0|1,1,0]=4 2755 B9R1.12 FCCSc1cscn1 62a_100000751502_100011217306 [0,2,0,0,0,0|2,0,0]=4 2756 B9R1.12 FCCSc1cscn1 62a_100011217306_100000751502 [0,2,0,0,0,0|2,0,0]=4 2757 B9R1.12 FCCSc1ncc[nH]1 62a_100011217306_100025796157 [0,2,0,0,0,0|2,0,0]=4 2758 B9R1.12 FCCSc1ncc[nH]1 62a_100025796157_100011217306 [0,2,0,0,0,0|2,0,0]=4 2759 B9R1.12 FCCSc1ncco1 62a_100011217306_100011787736 [0,2,0,0,0,0|1,0,0]=3 2760 B9R1.12 FCCSc1ncco1 62a_100011787736_100011217306 [0,2,0,0,0,0|1,0,0]=3 2761 B9R1.12 FCCSc1nccs1 62a_100000211983_100011217306 [0,2,0,0,0,0|1,1,0]=4 2762 B9R1.12 FCCSc1nccs1 62a_100011217306_100000211983 [0,2,0,0,0,0|1,1,0]=4 2763 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [0,2,0,0,0,0|0,0,0]=2 2764 B9R1.12 FCNCc1ccoc1 34a_100015206860_100015361967 [0,2,0,0,0,0|2,0,0]=4 2765 B9R1.12 FCNCc1ccsc1 34a_100000186416_100015361967 [0,2,0,0,0,0|2,0,0]=4 2766 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [0,2,0,0,0,0|0,0,0]=2 2767 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [0,2,0,0,0,0|0,1,0]=3 2768 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [0,2,0,0,0,0|1,0,0]=3 2769 B9R1.12 FCOCc1ccoc1 34a_100011215357_100015361967 [0,2,0,0,0,0|2,0,0]=4 2770 B9R1.12 FCOCc1ccsc1 34a_100011215551_100015361967 [0,2,0,0,0,0|2,0,0]=4 2771 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [0,2,0,0,0,0|1,0,0]=3 2772 B9R1.12 FCOCn1cccn1 34a_100000731028_100015361967 [0,2,0,0,0,0|2,0,0]=4 2773 B9R1.12 FCSCc1c[nH]cn1 62a_100000707719_100015361967 [0,2,0,0,0,0|2,0,0]=4 2774 B9R1.12 FCSCc1c[nH]cn1 62a_100015361967_100000707719 [0,2,0,0,0,0|2,0,0]=4 2775 B9R1.12 FCSCc1ccn[nH]1 62a_100000728653_100015361967 [0,2,0,0,0,0|2,0,0]=4 2776 B9R1.12 FCSCc1ccn[nH]1 62a_100015361967_100000728653 [0,2,0,0,0,0|2,0,0]=4 2777 B9R1.12 FCSCc1ccon1 62a_100000234950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2778 B9R1.12 FCSCc1ccon1 62a_100015361967_100000234950 [0,2,0,0,0,0|2,0,0]=4 2779 B9R1.12 FCSCc1ccsc1 62a_100011261437_100015361967 [0,2,0,0,0,0|2,0,0]=4 2780 B9R1.12 FCSCc1ccsc1 62a_100015361967_100011233845 [0,2,0,0,0,0|2,0,0]=4 2781 B9R1.12 FCSCc1cncs1 62a_100015185245_100015361967 [0,2,0,0,0,0|1,1,0]=4 2782 B9R1.12 FCSCc1cncs1 62a_100015361967_100015185245 [0,2,0,0,0,0|1,1,0]=4 2783 B9R1.12 FCSCc1cscn1 62a_100000205941_100015361967 [0,2,0,0,0,0|2,0,0]=4 2784 B9R1.12 FCSCc1cscn1 62a_100015361967_100000205941 [0,2,0,0,0,0|2,0,0]=4 2785 B9R1.12 FCSCc1ncc[nH]1 62a_100015361967_100016991755 [0,2,0,0,0,0|2,0,0]=4 2786 B9R1.12 FCSCc1ncc[nH]1 62a_100016991755_100015361967 [0,2,0,0,0,0|2,0,0]=4 2787 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [0,2,0,0,0,0|1,0,0]=3 2788 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [0,2,0,0,0,0|1,0,0]=3 2789 B9R1.12 FCSCc1nccs1 62a_100015184050_100015361967 [0,2,0,0,0,0|1,1,0]=4 2790 B9R1.12 FCSCc1nccs1 62a_100015361967_100015184050 [0,2,0,0,0,0|1,1,0]=4 2791 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [0,2,0,0,0,0|0,0,1]=3 2792 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [0,2,0,0,0,0|0,0,1]=3 2793 B9R1.12 N#CCSc1cccs1 62a_100011215356_100011215382 [0,2,0,0,0,0|0,1,1]=4 2794 B9R1.12 N#CCSc1cccs1 62a_100011215382_100011215356 [0,2,0,0,0,0|0,1,1]=4 2795 B9R1.12 N#CCSc1cnco1 62a_100011215382_100020591547 [0,2,0,0,0,0|1,0,1]=4 2796 B9R1.12 N#CCSc1cnco1 62a_100020591547_100011215382 [0,2,0,0,0,0|1,0,1]=4 2797 B9R1.12 N#CCSc1ncco1 62a_100011215382_100011787736 [0,2,0,0,0,0|1,0,1]=4 2798 B9R1.12 N#CCSc1ncco1 62a_100011787736_100011215382 [0,2,0,0,0,0|1,0,1]=4 2799 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [0,2,0,0,0,0|0,0,1]=3 2800 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [0,2,0,0,0,0|0,0,1]=3 2801 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [0,2,0,0,0,0|0,1,1]=4 2802 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [0,2,0,0,0,0|0,1,1]=4 2803 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [0,2,0,0,0,0|1,0,1]=4 2804 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [0,2,0,0,0,0|1,0,1]=4 2805 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [0,2,0,0,0,0|1,0,1]=4 2806 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [0,2,0,0,0,0|1,0,1]=4 2807 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [0,2,0,0,0,0|2,0,0]=4 2808 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [0,2,0,0,0,0|2,0,0]=4 2809 B9R1.12 OCCSc1c[nH]cn1 62a_100000211926_100000756875 [0,2,0,0,0,0|2,0,0]=4 2810 B9R1.12 OCCSc1c[nH]cn1 62a_100000756875_100000211926 [0,2,0,0,0,0|2,0,0]=4 2811 B9R1.12 OCCSc1cc[nH]n1 62a_100000062575_100000211926 [0,2,0,0,0,0|2,0,0]=4 2812 B9R1.12 OCCSc1cc[nH]n1 62a_100000211926_100000062575 [0,2,0,0,0,0|2,0,0]=4 2813 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [0,2,0,0,0,0|0,0,0]=2 2814 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [0,2,0,0,0,0|0,0,0]=2 2815 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [0,2,0,0,0,0|0,1,0]=3 2816 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [0,2,0,0,0,0|0,1,0]=3 2817 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [0,2,0,0,0,0|2,0,0]=4 2818 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [0,2,0,0,0,0|2,0,0]=4 2819 B9R1.12 OCCSc1ccon1 62a_100000211926_100009818083 [0,2,0,0,0,0|2,0,0]=4 2820 B9R1.12 OCCSc1ccon1 62a_100009818083_100000211926 [0,2,0,0,0,0|2,0,0]=4 2821 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [0,2,0,0,0,0|2,0,0]=4 2822 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [0,2,0,0,0,0|2,0,0]=4 2823 B9R1.12 OCCSc1ccsn1 62a_100000211926_100009818082 [0,2,0,0,0,0|2,0,0]=4 2824 B9R1.12 OCCSc1ccsn1 62a_100009818082_100000211926 [0,2,0,0,0,0|2,0,0]=4 2825 B9R1.12 OCCSc1cnco1 62a_100000211926_100020591547 [0,2,0,0,0,0|1,0,0]=3 2826 B9R1.12 OCCSc1cnco1 62a_100020591547_100000211926 [0,2,0,0,0,0|1,0,0]=3 2827 B9R1.12 OCCSc1cncs1 62a_100000211926_100011934649 [0,2,0,0,0,0|1,1,0]=4 2828 B9R1.12 OCCSc1cncs1 62a_100011934649_100000211926 [0,2,0,0,0,0|1,1,0]=4 2829 B9R1.12 OCCSc1cscn1 62a_100000211926_100000751502 [0,2,0,0,0,0|2,0,0]=4 2830 B9R1.12 OCCSc1cscn1 62a_100000751502_100000211926 [0,2,0,0,0,0|2,0,0]=4 2831 B9R1.12 OCCSc1ncc[nH]1 62a_100000211926_100025796157 [0,2,0,0,0,0|2,0,0]=4 2832 B9R1.12 OCCSc1ncc[nH]1 62a_100025796157_100000211926 [0,2,0,0,0,0|2,0,0]=4 2833 B9R1.12 OCCSc1ncco1 62a_100000211926_100011787736 [0,2,0,0,0,0|1,0,0]=3 2834 B9R1.12 OCCSc1ncco1 62a_100011787736_100000211926 [0,2,0,0,0,0|1,0,0]=3 2835 B9R1.12 OCCSc1nccs1 62a_100000211926_100000211983 [0,2,0,0,0,0|1,1,0]=4 2836 B9R1.12 OCCSc1nccs1 62a_100000211983_100000211926 [0,2,0,0,0,0|1,1,0]=4 2837 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,2,0,0,0,0|0,0,0]=2 2838 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,2,0,0,0,0|0,0,0]=2 2839 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,2,0,0,0,0|0,1,0]=3 2840 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,2,0,0,0,0|0,1,0]=3 2841 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,2,0,0,0,0|2,0,0]=4 2842 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,2,0,0,0,0|2,0,0]=4 2843 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,2,0,0,0,0|1,1,0]=4 2844 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,2,0,0,0,0|1,1,0]=4 2845 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,2,0,0,0,0|2,0,0]=4 2846 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,2,0,0,0,0|2,0,0]=4 2847 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,2,0,0,0,0|0,1,0]=3 2848 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,2,0,0,0,0|0,1,0]=3 2849 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,2,0,0,0,0|2,0,0]=4 2850 B9R1.12 [13CH3]OCCc1ncc[nH]1 34a_103549771195_200025704644 [0,2,0,0,0,0|2,0,0]=4 2851 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,2,0,0,0,0|2,0,0]=4 2852 B9R1.12 [13CH3]OCCn1cccn1 34a_100000743371_200025704644 [0,2,0,0,0,0|2,0,0]=4 2853 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_100020628418_200025704644 [0,2,0,0,0,0|2,0,0]=4 2854 B9R1.12 [13CH3]SCCc1c[nH]cn1 62a_200025704644_100020628418 [0,2,0,0,0,0|2,0,0]=4 2855 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,2,0,0,0,0|0,1,0]=3 2856 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,2,0,0,0,0|0,1,0]=3 2857 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,2,0,0,0,0|2,0,0]=4 2858 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,2,0,0,0,0|2,0,0]=4 2859 B9R1.12 [13CH3]SCCn1cccn1 62a_100015204718_200025704644 [0,2,0,0,0,0|2,0,0]=4 2860 B9R1.12 [13CH3]SCCn1cccn1 62a_200025704644_100000685285 [0,2,0,0,0,0|2,0,0]=4 2861 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,2,0,0,0,0|0,0,1]=3 2862 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,2,0,0,0,0|0,1,1]=4 2863 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,2,0,0,0,0|1,0,1]=4 2864 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,2,0,0,0,0|1,0,1]=4 2865 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,2,0,0,0,0|2,0,0]=4 2866 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,2,0,0,0,0|2,0,0]=4 2867 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,2,0,0,0,0|1,0,0]=3 2868 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,2,0,0,0,0|0,0,0]=2 2869 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,2,0,0,0,0|0,1,0]=3 2870 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,2,0,0,0,0|2,0,0]=4 2871 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,2,0,0,0,0|2,0,0]=4 2872 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,2,0,0,0,0|2,0,0]=4 2873 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,2,0,0,0,0|2,0,0]=4 2874 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,2,0,0,0,0|2,0,0]=4 2875 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,2,0,0,0,0|2,0,0]=4 2876 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,2,0,0,0,0|1,1,0]=4 2877 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,2,0,0,0,0|2,0,0]=4 2878 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,2,0,0,0,0|2,0,0]=4 2879 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,2,0,0,0,0|1,0,0]=3 2880 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,2,0,0,0,0|1,1,0]=4 2881 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2882 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,2,0,0,0,0|2,0,0]=4 2883 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [0,2,0,0,0,0|2,0,0]=4 2884 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [0,2,0,0,0,0|2,0,0]=4 2885 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000210206_100000756875 [0,2,0,0,0,0|2,0,0]=4 2886 B9R1.13 CC(C)Sc1c[nH]cn1 62a_100000756875_100000210206 [0,2,0,0,0,0|2,0,0]=4 2887 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000062575_100000210206 [0,2,0,0,0,0|2,0,0]=4 2888 B9R1.13 CC(C)Sc1cc[nH]n1 62a_100000210206_100000062575 [0,2,0,0,0,0|2,0,0]=4 2889 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,2,0,0,0,0|0,0,0]=2 2890 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,2,0,0,0,0|0,0,0]=2 2891 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,2,0,0,0,0|0,1,0]=3 2892 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,2,0,0,0,0|0,1,0]=3 2893 B9R1.13 CC(C)Sc1ccoc1 62a_100000210206_100011215275 [0,2,0,0,0,0|2,0,0]=4 2894 B9R1.13 CC(C)Sc1ccoc1 62a_100011215275_100000210206 [0,2,0,0,0,0|2,0,0]=4 2895 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [0,2,0,0,0,0|2,0,0]=4 2896 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [0,2,0,0,0,0|2,0,0]=4 2897 B9R1.13 CC(C)Sc1ccsc1 62a_100000210206_100000738268 [0,2,0,0,0,0|2,0,0]=4 2898 B9R1.13 CC(C)Sc1ccsc1 62a_100000738268_100000210206 [0,2,0,0,0,0|2,0,0]=4 2899 B9R1.13 CC(C)Sc1ccsn1 62a_100000210206_100009818082 [0,2,0,0,0,0|2,0,0]=4 2900 B9R1.13 CC(C)Sc1ccsn1 62a_100009818082_100000210206 [0,2,0,0,0,0|2,0,0]=4 2901 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,2,0,0,0,0|1,0,0]=3 2902 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,2,0,0,0,0|1,0,0]=3 2903 B9R1.13 CC(C)Sc1cncs1 62a_100000210206_100011934649 [0,2,0,0,0,0|1,1,0]=4 2904 B9R1.13 CC(C)Sc1cncs1 62a_100011934649_100000210206 [0,2,0,0,0,0|1,1,0]=4 2905 B9R1.13 CC(C)Sc1cscn1 62a_100000210206_100000751502 [0,2,0,0,0,0|2,0,0]=4 2906 B9R1.13 CC(C)Sc1cscn1 62a_100000751502_100000210206 [0,2,0,0,0,0|2,0,0]=4 2907 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [0,2,0,0,0,0|2,0,0]=4 2908 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [0,2,0,0,0,0|2,0,0]=4 2909 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,2,0,0,0,0|1,0,0]=3 2910 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,2,0,0,0,0|1,0,0]=3 2911 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [0,2,0,0,0,0|1,1,0]=4 2912 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [0,2,0,0,0,0|1,1,0]=4 2913 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,2,0,0,0,0|2,0,0]=4 2914 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,2,0,0,0,0|2,0,0]=4 2915 B9R1.13 CN(C)Cc1cc[nH]n1 270004a_100102631434_100000738523 [0,2,0,0,0,0|2,0,0]=4 2916 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,2,0,0,0,0|0,0,0]=2 2917 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,2,0,0,0,0|0,0,0]=2 2918 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,2,0,0,0,0|0,0,0]=2 2919 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,2,0,0,0,0|0,1,0]=3 2920 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,2,0,0,0,0|0,1,0]=3 2921 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,2,0,0,0,0|0,1,0]=3 2922 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,2,0,0,0,0|2,0,0]=4 2923 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,2,0,0,0,0|2,0,0]=4 2924 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [0,2,0,0,0,0|2,0,0]=4 2925 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [0,2,0,0,0,0|2,0,0]=4 2926 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [0,2,0,0,0,0|2,0,0]=4 2927 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [0,2,0,0,0,0|2,0,0]=4 2928 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [0,2,0,0,0,0|2,0,0]=4 2929 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [0,2,0,0,0,0|2,0,0]=4 2930 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [0,2,0,0,0,0|2,0,0]=4 2931 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [0,2,0,0,0,0|2,0,0]=4 2932 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [0,2,0,0,0,0|2,0,0]=4 2933 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [0,2,0,0,0,0|2,0,0]=4 2934 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,2,0,0,0,0|1,0,0]=3 2935 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,2,0,0,0,0|1,1,0]=4 2936 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,2,0,0,0,0|1,1,0]=4 2937 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,2,0,0,0,0|1,1,0]=4 2938 B9R1.13 CN(C)Cc1cocn1 270004a_100102631434_100000050382 [0,2,0,0,0,0|2,0,0]=4 2939 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [0,2,0,0,0,0|2,0,0]=4 2940 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [0,2,0,0,0,0|2,0,0]=4 2941 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [0,2,0,0,0,0|2,0,0]=4 2942 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [0,2,0,0,0,0|2,0,0]=4 2943 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [0,2,0,0,0,0|2,0,0]=4 2944 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,2,0,0,0,0|2,0,0]=4 2945 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,2,0,0,0,0|2,0,0]=4 2946 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,2,0,0,0,0|2,0,0]=4 2947 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,2,0,0,0,0|2,0,0]=4 2948 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,2,0,0,0,0|1,0,0]=3 2949 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,2,0,0,0,0|1,0,0]=3 2950 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,2,0,0,0,0|1,0,0]=3 2951 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,2,0,0,0,0|1,1,0]=4 2952 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,2,0,0,0,0|1,1,0]=4 2953 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,2,0,0,0,0|1,1,0]=4 2954 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,2,0,0,0,0|1,1,0]=4 2955 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,2,0,0,0,0|1,1,0]=4 2956 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,2,0,0,0,0|0,0,0]=2 2957 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,2,0,0,0,0|0,0,0]=2 2958 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,2,0,0,0,0|0,1,0]=3 2959 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,2,0,0,0,0|0,1,0]=3 2960 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [0,2,0,0,0,0|2,0,0]=4 2961 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [0,2,0,0,0,0|2,0,0]=4 2962 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [0,2,0,0,0,0|2,0,0]=4 2963 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [0,2,0,0,0,0|2,0,0]=4 2964 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [0,2,0,0,0,0|2,0,0]=4 2965 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [0,2,0,0,0,0|2,0,0]=4 2966 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,2,0,0,0,0|2,0,0]=4 2967 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,2,0,0,0,0|2,0,0]=4 2968 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,2,0,0,0,0|1,1,0]=4 2969 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,2,0,0,0,0|1,1,0]=4 2970 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,2,0,0,0,0|2,0,0]=4 2971 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,2,0,0,0,0|1,0,0]=3 2972 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,2,0,0,0,0|0,0,0]=2 2973 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,2,0,0,0,0|0,1,0]=3 2974 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,2,0,0,0,0|2,0,0]=4 2975 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,2,0,0,0,0|2,0,0]=4 2976 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,2,0,0,0,0|2,0,0]=4 2977 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,2,0,0,0,0|2,0,0]=4 2978 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2979 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,2,0,0,0,0|2,0,0]=4 2980 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [0,2,0,0,0,0|0,1,1]=4 2981 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,2,0,0,0,0|0,1,1]=4 2982 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,2,0,0,0,0|2,0,0]=4 2983 B9R1.33 CCSc1[nH]cnc1Cl 62a_100000210202_100010200774 [0,2,0,0,0,0|2,0,0]=4 2984 B9R1.33 CCSc1[nH]cnc1Cl 62a_100010200774_100000210202 [0,2,0,0,0,0|2,0,0]=4 2985 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [0,2,0,0,0,0|2,0,0]=4 2986 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [0,2,0,0,0,0|2,0,0]=4 2987 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [0,2,0,0,0,0|2,0,0]=4 2988 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [0,2,0,0,0,0|2,0,0]=4 2989 B9R1.33 CCSc1cncn1C 62a_100000210202_100009814087 [0,2,0,0,0,0|2,0,0]=4 2990 B9R1.33 CCSc1cncn1C 62a_100009814087_100000210202 [0,2,0,0,0,0|2,0,0]=4 2991 B9R1.33 CCSc1cscc1Br 62a_100000210202_100010143727 [0,2,0,0,0,0|2,0,0]=4 2992 B9R1.33 CCSc1cscc1Br 62a_100010143727_100000210202 [0,2,0,0,0,0|2,0,0]=4 2993 B9R1.33 CCSc1cscc1C 62a_100000210202_100000759966 [0,2,0,0,0,0|2,0,0]=4 2994 B9R1.33 CCSc1cscc1C 62a_100000759966_100000210202 [0,2,0,0,0,0|2,0,0]=4 2995 B9R1.33 CCSc1n[nH]cc1Br 62a_100000210202_100015839836 [0,2,0,0,0,0|2,0,0]=4 2996 B9R1.33 CCSc1n[nH]cc1Br 62a_100015839836_100000210202 [0,2,0,0,0,0|2,0,0]=4 2997 B9R1.33 CCSc1n[nH]cc1C 62a_100000210202_100009871783 [0,2,0,0,0,0|2,0,0]=4 2998 B9R1.33 CCSc1n[nH]cc1C 62a_100009871783_100000210202 [0,2,0,0,0,0|2,0,0]=4 2999 B9R1.33 CCSc1n[nH]cc1N 62a_100000210202_100010894806 [0,2,0,0,0,0|2,0,0]=4 3000 B9R1.33 CCSc1n[nH]cc1N 62a_100010894806_100000210202 [0,2,0,0,0,0|2,0,0]=4 3001 B9R1.33 CCSc1nc[nH]c1C 62a_100000210202_100010186451 [0,2,0,0,0,0|2,0,0]=4 3002 B9R1.33 CCSc1nc[nH]c1C 62a_100010186451_100000210202 [0,2,0,0,0,0|2,0,0]=4 3003 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [0,2,0,0,0,0|2,0,0]=4 3004 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [0,2,0,0,0,0|2,0,0]=4 3005 B9R1.33 CCSc1ncsc1C 62a_100000210202_100000732656 [0,2,0,0,0,0|2,0,0]=4 3006 B9R1.33 CCSc1ncsc1C 62a_100000732656_100000210202 [0,2,0,0,0,0|2,0,0]=4 3007 B9R1.33 CCSc1sccc1Br 62a_100000210202_100012361411 [0,2,0,0,0,0|0,1,0]=3 3008 B9R1.33 CCSc1sccc1Br 62a_100012361411_100000210202 [0,2,0,0,0,0|0,1,0]=3 3009 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [0,2,0,0,0,0|0,1,0]=3 3010 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [0,2,0,0,0,0|0,1,0]=3 3011 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [0,2,0,0,0,0|1,1,0]=4 3012 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [0,2,0,0,0,0|1,1,0]=4 3013 B9R1.33 CNCc1[nH]ncc1Br 207a_100102657272_100000732679 [0,2,0,0,0,0|2,0,0]=4 3014 B9R1.33 CNCc1[nH]ncc1Br 270004a_106832991635_100000732679 [0,2,0,0,0,0|2,0,0]=4 3015 B9R1.33 CNCc1[nH]ncc1C 207a_100102657272_100000708485 [0,2,0,0,0,0|2,0,0]=4 3016 B9R1.33 CNCc1[nH]ncc1C 270004a_106832991635_100000708485 [0,2,0,0,0,0|2,0,0]=4 3017 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,2,0,0,0,0|1,0,0]=3 3018 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,2,0,0,0,0|1,0,0]=3 3019 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,2,0,0,0,0|2,0,0]=4 3020 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,2,0,0,0,0|2,0,0]=4 3021 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,2,0,0,0,0|2,0,0]=4 3022 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,2,0,0,0,0|2,0,0]=4 3023 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,2,0,0,0,0|2,0,0]=4 3024 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,2,0,0,0,0|2,0,0]=4 3025 B9R1.33 CNCc1ccsc1Br 207a_100102657272_100009816921 [0,2,0,0,0,0|2,0,0]=4 3026 B9R1.33 CNCc1ccsc1Br 2230a_100000727803_200000210301 [0,2,0,0,0,0|2,0,0]=4 3027 B9R1.33 CNCc1ccsc1Br 2230a_106832991635_100009814289 [0,2,0,0,0,0|2,0,0]=4 3028 B9R1.33 CNCc1ccsc1Br 270004a_106832991635_100009816921 [0,2,0,0,0,0|2,0,0]=4 3029 B9R1.33 CNCc1ccsc1Br 34a_100000727803_200000210301 [0,2,0,0,0,0|2,0,0]=4 3030 B9R1.33 CNCc1ccsc1Br 34a_100102657272_100009814289 [0,2,0,0,0,0|2,0,0]=4 3031 B9R1.33 CNCc1ccsc1Br 7a_106832991635_100009814289 [0,2,0,0,0,0|2,0,0]=4 3032 B9R1.33 CNCc1ccsc1Cl 207a_100102657272_100000089901 [0,2,0,0,0,0|2,0,0]=4 3033 B9R1.33 CNCc1ccsc1Cl 2230a_106832991635_100010167017 [0,2,0,0,0,0|2,0,0]=4 3034 B9R1.33 CNCc1ccsc1Cl 270004a_106832991635_100000089901 [0,2,0,0,0,0|2,0,0]=4 3035 B9R1.33 CNCc1ccsc1Cl 34a_100102657272_100010167017 [0,2,0,0,0,0|2,0,0]=4 3036 B9R1.33 CNCc1ccsc1Cl 7a_106832991635_100010167017 [0,2,0,0,0,0|2,0,0]=4 3037 B9R1.33 CNCc1ccsc1O 271570a_203496583355_100009817074 [0,2,0,0,0,0|2,0,0]=4 3038 B9R1.33 CNCc1cncn1C 207a_100102657272_100000750899 [0,2,0,0,0,0|2,0,0]=4 3039 B9R1.33 CNCc1cncn1C 270004a_106832991635_100000750899 [0,2,0,0,0,0|2,0,0]=4 3040 B9R1.33 CNCc1cscc1Br 207a_100102657272_100000685484 [0,2,0,0,0,0|2,0,0]=4 3041 B9R1.33 CNCc1cscc1Br 270004a_106832991635_100000685484 [0,2,0,0,0,0|2,0,0]=4 3042 B9R1.33 CNCc1cscc1O 271570a_203496583355_100011935083 [0,2,0,0,0,0|2,0,0]=4 3043 B9R1.33 CNCc1n[nH]cc1Cl 207a_100102657272_100000040271 [0,2,0,0,0,0|2,0,0]=4 3044 B9R1.33 CNCc1n[nH]cc1Cl 270004a_106832991635_100000040271 [0,2,0,0,0,0|2,0,0]=4 3045 B9R1.33 CNCc1nc[nH]c1C 207a_100102657272_100000032982 [0,2,0,0,0,0|2,0,0]=4 3046 B9R1.33 CNCc1nc[nH]c1C 2230a_106832991635_100000751220 [0,2,0,0,0,0|2,0,0]=4 3047 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [0,2,0,0,0,0|2,0,0]=4 3048 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [0,2,0,0,0,0|2,0,0]=4 3049 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [0,2,0,0,0,0|2,0,0]=4 3050 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [0,2,0,0,0,0|2,0,0]=4 3051 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [0,2,0,0,0,0|2,0,0]=4 3052 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [0,2,0,0,0,0|2,0,0]=4 3053 B9R1.33 CNCc1ncoc1C 2230a_106832991635_200000693990 [0,2,0,0,0,0|2,0,0]=4 3054 B9R1.33 CNCc1ncoc1C 34a_100102657272_200000693990 [0,2,0,0,0,0|2,0,0]=4 3055 B9R1.33 CNCc1ncoc1C 7a_106832991635_200000693990 [0,2,0,0,0,0|2,0,0]=4 3056 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [0,2,0,0,0,0|0,0,0]=2 3057 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [0,2,0,0,0,0|0,0,0]=2 3058 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [0,2,0,0,0,0|0,0,0]=2 3059 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [0,2,0,0,0,0|0,1,0]=3 3060 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [0,2,0,0,0,0|0,1,0]=3 3061 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [0,2,0,0,0,0|0,1,0]=3 3062 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [0,2,0,0,0,0|0,1,0]=3 3063 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [0,2,0,0,0,0|0,1,0]=3 3064 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [0,2,0,0,0,0|0,1,0]=3 3065 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [0,2,0,0,0,0|0,1,0]=3 3066 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [0,2,0,0,0,0|0,1,0]=3 3067 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [0,2,0,0,0,0|0,1,0]=3 3068 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [0,2,0,0,0,0|0,1,0]=3 3069 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [0,2,0,0,0,0|0,1,0]=3 3070 B9R1.33 CNCc1scnc1C 207a_100102657272_100000764165 [0,2,0,0,0,0|1,1,0]=4 3071 B9R1.33 CNCc1scnc1C 2230a_100000752186_200000210301 [0,2,0,0,0,0|1,1,0]=4 3072 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,2,0,0,0,0|2,0,0]=4 3073 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,2,0,0,0,0|2,0,0]=4 3074 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [0,2,0,0,0,0|2,0,0]=4 3075 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [0,2,0,0,0,0|2,0,0]=4 3076 B9R1.33 COCc1ccsc1Br 34a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 3077 B9R1.33 COCc1ccsc1Br 34a_100138415774_100009814289 [0,2,0,0,0,0|2,0,0]=4 3078 B9R1.33 COCc1ccsc1Br 7a_100009816922_200000210301 [0,2,0,0,0,0|2,0,0]=4 3079 B9R1.33 COCc1ccsc1Cl 34a_100138415774_100010167017 [0,2,0,0,0,0|2,0,0]=4 3080 B9R1.33 COCc1cscc1Br 34a_100000724555_200000210301 [0,2,0,0,0,0|2,0,0]=4 3081 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [0,2,0,0,0,0|2,0,0]=4 3082 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [0,2,0,0,0,0|2,0,0]=4 3083 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [0,2,0,0,0,0|2,0,0]=4 3084 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [0,2,0,0,0,0|2,0,0]=4 3085 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [0,2,0,0,0,0|0,0,0]=2 3086 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [0,2,0,0,0,0|0,0,0]=2 3087 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [0,2,0,0,0,0|1,0,0]=3 3088 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [0,2,0,0,0,0|1,0,0]=3 3089 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [0,2,0,0,0,0|1,0,0]=3 3090 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [0,2,0,0,0,0|0,1,0]=3 3091 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [0,2,0,0,0,0|0,1,0]=3 3092 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [0,2,0,0,0,0|0,1,0]=3 3093 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [0,2,0,0,0,0|0,1,0]=3 3094 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [0,2,0,0,0,0|0,1,0]=3 3095 B9R1.33 COCc1scnc1Br 7a_100012000948_200000210301 [0,2,0,0,0,0|1,1,0]=4 3096 B9R1.33 COCc1scnc1C 34a_100000750112_200000210301 [0,2,0,0,0,0|1,1,0]=4 3097 B9R1.33 COCc1scnc1C 7a_100000750112_200000210301 [0,2,0,0,0,0|1,1,0]=4 3098 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,2,0,0,0,0|2,0,0]=4 3099 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,2,0,0,0,0|2,0,0]=4 3100 B9R1.33 CSCc1ccsc1Br 62a_100009814289_200000210301 [0,2,0,0,0,0|2,0,0]=4 3101 B9R1.33 CSCc1ccsc1Br 62a_200000210301_100009814289 [0,2,0,0,0,0|2,0,0]=4 3102 B9R1.33 CSCc1ccsc1Cl 62a_100010167017_200000210301 [0,2,0,0,0,0|2,0,0]=4 3103 B9R1.33 CSCc1ccsc1Cl 62a_200000210301_100010167017 [0,2,0,0,0,0|2,0,0]=4 3104 B9R1.33 CSCc1nc[nH]c1C 62a_100000751220_200000210301 [0,2,0,0,0,0|2,0,0]=4 3105 B9R1.33 CSCc1nc[nH]c1C 62a_200000210301_100000751220 [0,2,0,0,0,0|2,0,0]=4 3106 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [0,2,0,0,0,0|2,0,0]=4 3107 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [0,2,0,0,0,0|2,0,0]=4 3108 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [0,2,0,0,0,0|2,0,0]=4 3109 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [0,2,0,0,0,0|2,0,0]=4 3110 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_100000751220_200025704644 [0,2,0,0,0,0|2,0,0]=4 3111 B9R1.33 Cc1[nH]cnc1CS[13CH3] 62a_200025704644_100000751220 [0,2,0,0,0,0|2,0,0]=4 3112 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [0,2,0,0,0,0|0,0,0]=2 3113 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [0,2,0,0,0,0|0,0,0]=2 3114 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [0,2,0,0,0,0|0,1,0]=3 3115 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [0,2,0,0,0,0|0,1,0]=3 3116 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [0,2,0,0,0,0|0,1,0]=3 3117 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [0,2,0,0,0,0|0,1,0]=3 3118 B9R1.33 Cc1ccsc1SCF 62a_100010247149_100015361967 [0,2,0,0,0,0|1,1,0]=4 3119 B9R1.33 Cc1ccsc1SCF 62a_100015361967_100010247149 [0,2,0,0,0,0|1,1,0]=4 3120 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [0,2,0,0,0,0|1,0,0]=3 3121 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [0,2,0,0,0,0|1,0,0]=3 3122 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [0,2,0,0,0,0|1,0,0]=3 3123 B9R1.33 Cc1ncsc1CN[13CH3] 2230a_100000752186_200025704644 [0,2,0,0,0,0|1,1,0]=4 3124 B9R1.33 Cc1ncsc1CO[13CH3] 34a_100000750112_200025704644 [0,2,0,0,0,0|1,1,0]=4 3125 B9R1.33 Cc1ncsc1CO[13CH3] 7a_100000750112_200025704644 [0,2,0,0,0,0|1,1,0]=4 3126 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3127 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [0,2,0,0,0,0|2,0,0]=4 3128 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [0,2,0,0,0,0|2,0,0]=4 3129 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [0,2,0,0,0,0|2,0,0]=4 3130 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [0,2,0,0,0,0|2,0,0]=4 3131 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,2,0,0,0,0|1,0,0]=3 3132 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [0,2,0,0,0,0|2,0,0]=4 3133 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [0,2,0,0,0,0|2,0,0]=4 3134 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [0,2,0,0,0,0|2,0,0]=4 3135 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [0,2,0,0,0,0|2,0,0]=4 3136 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,2,0,0,0,0|2,0,0]=4 3137 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,2,0,0,0,0|2,0,0]=4 3138 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,2,0,0,0,0|2,0,0]=4 3139 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,2,0,0,0,0|2,0,0]=4 3140 B9R1.33 FCSc1sccc1Br 62a_100012361411_100015361967 [0,2,0,0,0,0|1,1,0]=4 3141 B9R1.33 FCSc1sccc1Br 62a_100015361967_100012361411 [0,2,0,0,0,0|1,1,0]=4 3142 B9R1.33 [13CH3]NCc1ccsc1Br 2230a_100000727803_200025704644 [0,2,0,0,0,0|2,0,0]=4 3143 B9R1.33 [13CH3]NCc1ccsc1Br 34a_100000727803_200025704644 [0,2,0,0,0,0|2,0,0]=4 3144 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [0,2,0,0,0,0|0,1,0]=3 3145 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [0,2,0,0,0,0|0,1,0]=3 3146 B9R1.33 [13CH3]OCc1ccsc1Br 34a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 3147 B9R1.33 [13CH3]OCc1ccsc1Br 7a_100009816922_200025704644 [0,2,0,0,0,0|2,0,0]=4 3148 B9R1.33 [13CH3]OCc1cscc1Br 34a_100000724555_200025704644 [0,2,0,0,0,0|2,0,0]=4 3149 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [0,2,0,0,0,0|0,1,0]=3 3150 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [0,2,0,0,0,0|0,1,0]=3 3151 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [0,2,0,0,0,0|0,1,0]=3 3152 B9R1.33 [13CH3]OCc1scnc1Br 7a_100012000948_200025704644 [0,2,0,0,0,0|1,1,0]=4 3153 B9R1.33 [13CH3]SCc1ccsc1Br 62a_100009814289_200025704644 [0,2,0,0,0,0|2,0,0]=4 3154 B9R1.33 [13CH3]SCc1ccsc1Br 62a_200025704644_100009814289 [0,2,0,0,0,0|2,0,0]=4 3155 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_100010167017_200025704644 [0,2,0,0,0,0|2,0,0]=4 3156 B9R1.33 [13CH3]SCc1ccsc1Cl 62a_200025704644_100010167017 [0,2,0,0,0,0|2,0,0]=4 3157 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [0,2,0,0,0,0|2,0,0]=4 3158 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,2,0,0,0,0|1,0,1]=4 3159 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,2,0,0,0,0|1,1,0]=4 3160 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,2,0,0,0,0|1,1,0]=4 3161 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [0,2,0,0,0,0|2,0,0]=4 3162 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,2,0,0,0,0|2,0,0]=4 3163 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,2,0,0,0,0|1,1,0]=4 3164 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,2,0,0,0,0|1,1,0]=4 3165 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,2,0,0,0,0|1,1,0]=4 3166 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,2,0,0,0,0|1,1,0]=4 3167 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,2,0,0,0,0|2,0,0]=4 3168 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,2,0,0,0,0|2,0,0]=4 3169 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,2,0,0,0,0|2,0,0]=4 3170 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,2,0,0,0,0|2,0,0]=4 3171 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,2,0,0,0,0|2,0,0]=4 3172 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,2,0,0,0,0|2,0,0]=4 3173 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [0,2,0,0,0,0|2,0,0]=4 3174 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [0,2,0,0,0,0|2,0,0]=4 3175 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [0,2,0,0,0,0|2,0,0]=4 3176 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [0,2,0,0,0,0|2,0,0]=4 3177 B9R1.14 CNc1sccc1C#N 27a_100102657272_100009817073 [0,2,0,0,0,0|1,1,0]=4 3178 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,2,0,0,0,0|1,0,1]=4 3179 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,2,0,0,0,0|1,0,1]=4 3180 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,2,0,0,0,0|1,1,0]=4 3181 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,2,0,0,0,0|1,1,0]=4 3182 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,2,0,0,0,0|1,1,0]=4 3183 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,2,0,0,0,0|1,1,0]=4 3184 B9R1.14 CSc1sccc1C#N 62a_200000210301_100009817073 [0,2,0,0,0,0|1,1,0]=4 3185 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,2,0,0,0,0|1,1,0]=4 3186 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,2,0,0,0,0|1,1,0]=4 3187 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [0,2,0,0,0,0|1,1,0]=4 3188 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [0,2,0,0,0,0|1,1,0]=4 3189 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,2,0,0,0,0|1,1,0]=4 3190 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,2,0,0,0,0|1,1,0]=4 3191 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,2,0,0,0,0|1,1,0]=4 3192 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,2,0,0,0,0|1,1,0]=4 3193 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,2,0,0,0,0|1,0,1]=4 3194 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,2,0,0,0,0|1,0,1]=4 3195 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,2,0,0,0,0|1,1,0]=4 3196 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,2,0,0,0,0|1,1,0]=4 3197 B9R1.14 [13CH3]Sc1sccc1C#N 62a_200025704644_100009817073 [0,2,0,0,0,0|1,1,0]=4 3198 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,2,0,0,0,0|1,1,0]=4 3199 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,2,0,0,0,0|1,1,0]=4 3200 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [0,2,0,0,0,0|1,1,0]=4 3201 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [0,2,0,0,0,0|1,1,0]=4 3202 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,2,0,0,0,0|1,1,0]=4 3203 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,2,0,0,0,0|1,1,0]=4 3204 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [0,2,0,0,0,0|2,0,0]=4 3205 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,1,1,0,0|0,0,2]=4 3206 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,1,1,0,0|1,0,1]=4 3207 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,1,1,0,0|1,0,1]=4 3208 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,1,1,0,0|2,0,0]=4 3209 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [0,0,1,1,0,0|0,0,2]=4 3210 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,1,0,1,0,0|2,0,0]=4 3211 B9R2.2 c1cc(co1)C2CC2 271570a_100011220607_100011215275 [0,1,0,1,0,0|2,0,0]=4 3212 B9R2.2 c1cc(cs1)C2CC2 271570a_100011220607_100000738268 [0,1,0,1,0,0|2,0,0]=4 3213 B9R2.2 c1cc(n[nH]1)C2CC2 271570a_100011220607_100000062575 [0,1,0,1,0,0|2,0,0]=4 3214 B9R2.2 c1cc(ns1)C2CC2 271570a_100011220607_100009818082 [0,1,0,1,0,0|2,0,0]=4 3215 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,1,0,1,0,0|0,0,0]=2 3216 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [0,1,0,1,0,0|1,0,0]=3 3217 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,1,0,1,0,0|0,1,0]=3 3218 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [0,1,0,1,0,0|1,1,0]=4 3219 B9R2.2 c1nc(c[nH]1)C2CC2 271570a_100011220607_100000756875 [0,1,0,1,0,0|2,0,0]=4 3220 B9R2.2 c1nc(cs1)C2CC2 271570a_100011220607_100000751502 [0,1,0,1,0,0|2,0,0]=4 3221 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [0,1,0,1,0,0|1,0,0]=3 3222 B9R2.2 c1ncc(s1)C2CC2 271570a_100011220607_100011934649 [0,1,0,1,0,0|1,1,0]=4