0 B11R2.2 C1=C(CCC1)c2cnco2 271570a_100000089523_100020591547 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.2 C1=C(CCC1)c2nncs2 271570a_100000089523_100000739804 [0,0,0,0,0,0|1,1,2]=4 3 B11R2.2 C1=C(CCO1)c2cnco2 271570a_100000118173_100020591547 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.2 C1=C(CCO1)c2ncco2 271570a_100000118173_100011787736 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.2 C1=C(CCO1)c2nncs2 271570a_100000118173_100000739804 [0,0,0,0,0,0|2,1,1]=4 6 B11R2.2 C1=C(COC1)c2cnco2 271570a_100009872500_100020591547 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.2 C1=C(COC1)c2ncco2 271570a_100009872500_100011787736 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.2 C1=C(COC1)c2nncs2 271570a_100009872500_100000739804 [0,0,0,0,0,0|2,1,1]=4 9 B11R2.2 C1=CCN(C1)c2nncs2 27a_100015195280_100000739804 [0,0,0,0,0,0|2,1,1]=4 10 B11R2.2 c1c[nH]c(n1)c2c[nH]cn2 271570a_100016988920_100000756875 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.2 c1c[nH]c(n1)c2cc[nH]c2 271570a_100000102155_100025796157 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.2 c1c[nH]c(n1)c2cc[nH]n2 271570a_100000062414_100025796157 [0,0,0,0,0,0|2,0,1]=3 13 B11R2.2 c1c[nH]c(n1)c2cc[nH]n2 271570a_100016988920_100000062575 [0,0,0,0,0,0|2,0,1]=3 14 B11R2.2 c1c[nH]c(n1)c2ccoc2 271570a_100011218838_100025796157 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.2 c1c[nH]c(n1)c2ccoc2 271570a_100016988920_100011215275 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.2 c1c[nH]c(n1)c2ccsc2 271570a_100011934443_100025796157 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.2 c1c[nH]c(n1)c2ccsc2 271570a_100016988920_100000738268 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.2 c1c[nH]c(n1)c2ccsn2 271570a_100016988920_100009818082 [0,0,0,0,0,0|3,0,0]=3 19 B11R2.2 c1c[nH]c(n1)c2cn[nH]c2 271570a_100000041997_100025796157 [0,0,0,0,0,0|4,0,0]=4 20 B11R2.2 c1c[nH]c(n1)c2cn[nH]c2 271570a_100016988920_100000238712 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.2 c1c[nH]c(n1)c2cnco2 271570a_100016988920_100020591547 [0,0,0,0,0,0|2,0,0]=2 22 B11R2.2 c1c[nH]c(n1)c2cncs2 271570a_100010231675_100025796157 [0,0,0,0,0,0|2,1,0]=3 23 B11R2.2 c1c[nH]c(n1)c2cncs2 271570a_100016988920_100011934649 [0,0,0,0,0,0|2,1,0]=3 24 B11R2.2 c1c[nH]c(n1)c2cnoc2 271570a_100016988920_100009815712 [0,0,0,0,0,0|4,0,0]=4 25 B11R2.2 c1c[nH]c(n1)c2cnsc2 271570a_100016988920_100009815736 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.2 c1c[nH]c(n1)c2cscn2 271570a_100016988920_100000751502 [0,0,0,0,0,0|3,0,1]=4 27 B11R2.2 c1c[nH]c(n1)c2nc[nH]n2 271570a_100016988920_100000761765 [0,0,0,0,0,0|2,0,1]=3 28 B11R2.2 c1c[nH]c(n1)c2ncc[nH]2 271570a_100016988920_100025796157 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.2 c1c[nH]c(n1)c2ncco2 271570a_100016988920_100011787736 [0,0,0,0,0,0|2,0,0]=2 30 B11R2.2 c1c[nH]c(n1)c2nccs2 271570a_100016988920_100000211983 [0,0,0,0,0,0|2,1,0]=3 31 B11R2.2 c1c[nH]c(n1)c2ncns2 271570a_100016988920_100000693119 [0,0,0,0,0,0|3,0,0]=3 32 B11R2.2 c1c[nH]c(n1)c2nncs2 271570a_100016988920_100000739804 [0,0,0,0,0,0|1,1,0]=2 33 B11R2.2 c1cc(c[nH]1)c2cc[nH]n2 271570a_100000102155_100000062575 [0,0,0,0,0,0|3,0,1]=4 34 B11R2.2 c1cc(c[nH]1)c2ccsn2 271570a_100000102155_100009818082 [0,0,0,0,0,0|4,0,0]=4 35 B11R2.2 c1cc(c[nH]1)c2cnco2 271570a_100000102155_100020591547 [0,0,0,0,0,0|3,0,0]=3 36 B11R2.2 c1cc(c[nH]1)c2cncs2 271570a_100000102155_100011934649 [0,0,0,0,0,0|3,1,0]=4 37 B11R2.2 c1cc(c[nH]1)c2nc[nH]n2 271570a_100000102155_100000761765 [0,0,0,0,0,0|3,0,1]=4 38 B11R2.2 c1cc(c[nH]1)c2nncs2 271570a_100000102155_100000739804 [0,0,0,0,0,0|2,1,0]=3 39 B11R2.2 c1cc(co1)c2ccsn2 271570a_100011218838_100009818082 [0,0,0,0,0,0|4,0,0]=4 40 B11R2.2 c1cc(co1)c2cnco2 271570a_100011218838_100020591547 [0,0,0,0,0,0|3,0,0]=3 41 B11R2.2 c1cc(co1)c2cncs2 271570a_100010231675_100011215275 [0,0,0,0,0,0|3,1,0]=4 42 B11R2.2 c1cc(co1)c2cncs2 271570a_100011218838_100011934649 [0,0,0,0,0,0|3,1,0]=4 43 B11R2.2 c1cc(co1)c2nncs2 271570a_100011218838_100000739804 [0,0,0,0,0,0|2,1,0]=3 44 B11R2.2 c1cc(cs1)c2ccsn2 271570a_100011934443_100009818082 [0,0,0,0,0,0|4,0,0]=4 45 B11R2.2 c1cc(cs1)c2cncs2 271570a_100010231675_100000738268 [0,0,0,0,0,0|3,1,0]=4 46 B11R2.2 c1cc(cs1)c2cncs2 271570a_100011934443_100011934649 [0,0,0,0,0,0|3,1,0]=4 47 B11R2.2 c1cc(cs1)c2nncs2 271570a_100011934443_100000739804 [0,0,0,0,0,0|2,1,0]=3 48 B11R2.2 c1cc(n[nH]1)c2cc[nH]n2 271570a_100000062414_100000062575 [0,0,0,0,0,0|2,0,2]=4 49 B11R2.2 c1cc(n[nH]1)c2ccoc2 271570a_100000062414_100011215275 [0,0,0,0,0,0|3,0,1]=4 50 B11R2.2 c1cc(n[nH]1)c2ccoc2 271570a_100011218838_100000062575 [0,0,0,0,0,0|3,0,1]=4 51 B11R2.2 c1cc(n[nH]1)c2ccsc2 271570a_100000062414_100000738268 [0,0,0,0,0,0|3,0,1]=4 52 B11R2.2 c1cc(n[nH]1)c2ccsc2 271570a_100011934443_100000062575 [0,0,0,0,0,0|3,0,1]=4 53 B11R2.2 c1cc(n[nH]1)c2ccsn2 271570a_100000062414_100009818082 [0,0,0,0,0,0|2,0,2]=4 54 B11R2.2 c1cc(n[nH]1)c2cnco2 271570a_100000062414_100020591547 [0,0,0,0,0,0|2,0,1]=3 55 B11R2.2 c1cc(n[nH]1)c2cncs2 271570a_100000062414_100011934649 [0,0,0,0,0,0|2,1,1]=4 56 B11R2.2 c1cc(n[nH]1)c2cncs2 271570a_100010231675_100000062575 [0,0,0,0,0,0|2,1,1]=4 57 B11R2.2 c1cc(n[nH]1)c2cscn2 271570a_100000062414_100000751502 [0,0,0,0,0,0|2,0,2]=4 58 B11R2.2 c1cc(n[nH]1)c2nc[nH]n2 271570a_100000062414_100000761765 [0,0,0,0,0,0|2,0,2]=4 59 B11R2.2 c1cc(n[nH]1)c2nncs2 271570a_100000062414_100000739804 [0,0,0,0,0,0|1,1,1]=3 60 B11R2.2 c1cc(ns1)c2cncs2 271570a_100010231675_100009818082 [0,0,0,0,0,0|2,1,1]=4 61 B11R2.2 c1coc(c1)c2c[nH]cn2 271570a_100000750936_100000756875 [0,0,0,0,0,0|3,0,1]=4 62 B11R2.2 c1coc(c1)c2cc[nH]c2 271570a_100000102155_100009814098 [0,0,0,0,0,0|3,0,1]=4 63 B11R2.2 c1coc(c1)c2cc[nH]n2 271570a_100000062414_100009814098 [0,0,0,0,0,0|2,0,1]=3 64 B11R2.2 c1coc(c1)c2cc[nH]n2 271570a_100000750936_100000062575 [0,0,0,0,0,0|2,0,1]=3 65 B11R2.2 c1coc(c1)c2ccco2 271570a_100000750936_100009814098 [0,0,0,0,0,0|3,0,0]=3 66 B11R2.2 c1coc(c1)c2cccs2 271570a_100000742291_100009814098 [0,0,0,0,0,0|3,0,0]=3 67 B11R2.2 c1coc(c1)c2cccs2 271570a_100000750936_100011215356 [0,0,0,0,0,0|3,0,0]=3 68 B11R2.2 c1coc(c1)c2ccoc2 271570a_100000750936_100011215275 [0,0,0,0,0,0|4,0,0]=4 69 B11R2.2 c1coc(c1)c2ccoc2 271570a_100011218838_100009814098 [0,0,0,0,0,0|4,0,0]=4 70 B11R2.2 c1coc(c1)c2ccsc2 271570a_100000750936_100000738268 [0,0,0,0,0,0|4,0,0]=4 71 B11R2.2 c1coc(c1)c2ccsc2 271570a_100011934443_100009814098 [0,0,0,0,0,0|4,0,0]=4 72 B11R2.2 c1coc(c1)c2ccsn2 271570a_100000750936_100009818082 [0,0,0,0,0,0|3,0,0]=3 73 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000041997_100009814098 [0,0,0,0,0,0|4,0,0]=4 74 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000750936_100000238712 [0,0,0,0,0,0|4,0,0]=4 75 B11R2.2 c1coc(c1)c2cnco2 271570a_100000750936_100020591547 [0,0,0,0,0,0|2,0,0]=2 76 B11R2.2 c1coc(c1)c2cncs2 271570a_100000750936_100011934649 [0,0,0,0,0,0|2,1,0]=3 77 B11R2.2 c1coc(c1)c2cncs2 271570a_100010231675_100009814098 [0,0,0,0,0,0|2,1,0]=3 78 B11R2.2 c1coc(c1)c2cnoc2 271570a_100000750936_100009815712 [0,0,0,0,0,0|4,0,0]=4 79 B11R2.2 c1coc(c1)c2cnsc2 271570a_100000750936_100009815736 [0,0,0,0,0,0|4,0,0]=4 80 B11R2.2 c1coc(c1)c2cscn2 271570a_100000750936_100000751502 [0,0,0,0,0,0|3,0,1]=4 81 B11R2.2 c1coc(c1)c2nc[nH]n2 271570a_100000750936_100000761765 [0,0,0,0,0,0|2,0,1]=3 82 B11R2.2 c1coc(c1)c2ncc[nH]2 271570a_100000750936_100025796157 [0,0,0,0,0,0|3,0,0]=3 83 B11R2.2 c1coc(c1)c2ncc[nH]2 271570a_100016988920_100009814098 [0,0,0,0,0,0|3,0,0]=3 84 B11R2.2 c1coc(c1)c2ncco2 271570a_100000750936_100011787736 [0,0,0,0,0,0|2,0,0]=2 85 B11R2.2 c1coc(c1)c2nccs2 271570a_100000750936_100000211983 [0,0,0,0,0,0|2,1,0]=3 86 B11R2.2 c1coc(c1)c2ncns2 271570a_100000750936_100000693119 [0,0,0,0,0,0|3,0,0]=3 87 B11R2.2 c1coc(c1)c2nncs2 271570a_100000750936_100000739804 [0,0,0,0,0,0|1,1,0]=2 88 B11R2.2 c1coc(n1)c2cc[nH]c2 271570a_100000102155_100011787736 [0,0,0,0,0,0|3,0,0]=3 89 B11R2.2 c1coc(n1)c2cc[nH]n2 271570a_100000062414_100011787736 [0,0,0,0,0,0|2,0,1]=3 90 B11R2.2 c1coc(n1)c2ccoc2 271570a_100011218838_100011787736 [0,0,0,0,0,0|3,0,0]=3 91 B11R2.2 c1coc(n1)c2ccsc2 271570a_100011934443_100011787736 [0,0,0,0,0,0|3,0,0]=3 92 B11R2.2 c1coc(n1)c2cn[nH]c2 271570a_100000041997_100011787736 [0,0,0,0,0,0|4,0,0]=4 93 B11R2.2 c1coc(n1)c2cncs2 271570a_100010231675_100011787736 [0,0,0,0,0,0|3,0,0]=3 94 B11R2.2 c1csc(c1)c2c[nH]cn2 271570a_100000742291_100000756875 [0,0,0,0,0,0|3,0,1]=4 95 B11R2.2 c1csc(c1)c2cc[nH]c2 271570a_100000102155_100011215356 [0,0,0,0,0,0|3,0,1]=4 96 B11R2.2 c1csc(c1)c2cc[nH]n2 271570a_100000062414_100011215356 [0,0,0,0,0,0|2,0,1]=3 97 B11R2.2 c1csc(c1)c2cc[nH]n2 271570a_100000742291_100000062575 [0,0,0,0,0,0|2,0,1]=3 98 B11R2.2 c1csc(c1)c2cccs2 271570a_100000742291_100011215356 [0,0,0,0,0,0|3,1,0]=4 99 B11R2.2 c1csc(c1)c2ccoc2 271570a_100000742291_100011215275 [0,0,0,0,0,0|4,0,0]=4 100 B11R2.2 c1csc(c1)c2ccoc2 271570a_100011218838_100011215356 [0,0,0,0,0,0|4,0,0]=4 101 B11R2.2 c1csc(c1)c2ccsc2 271570a_100000742291_100000738268 [0,0,0,0,0,0|4,0,0]=4 102 B11R2.2 c1csc(c1)c2ccsc2 271570a_100011934443_100011215356 [0,0,0,0,0,0|4,0,0]=4 103 B11R2.2 c1csc(c1)c2ccsn2 271570a_100000742291_100009818082 [0,0,0,0,0,0|3,0,0]=3 104 B11R2.2 c1csc(c1)c2cn[nH]c2 271570a_100000041997_100011215356 [0,0,0,0,0,0|4,0,0]=4 105 B11R2.2 c1csc(c1)c2cn[nH]c2 271570a_100000742291_100000238712 [0,0,0,0,0,0|4,0,0]=4 106 B11R2.2 c1csc(c1)c2cnco2 271570a_100000742291_100020591547 [0,0,0,0,0,0|2,0,0]=2 107 B11R2.2 c1csc(c1)c2cncs2 271570a_100000742291_100011934649 [0,0,0,0,0,0|2,1,0]=3 108 B11R2.2 c1csc(c1)c2cncs2 271570a_100010231675_100011215356 [0,0,0,0,0,0|2,1,0]=3 109 B11R2.2 c1csc(c1)c2cnoc2 271570a_100000742291_100009815712 [0,0,0,0,0,0|4,0,0]=4 110 B11R2.2 c1csc(c1)c2cnsc2 271570a_100000742291_100009815736 [0,0,0,0,0,0|4,0,0]=4 111 B11R2.2 c1csc(c1)c2cscn2 271570a_100000742291_100000751502 [0,0,0,0,0,0|4,0,0]=4 112 B11R2.2 c1csc(c1)c2nc[nH]n2 271570a_100000742291_100000761765 [0,0,0,0,0,0|2,0,1]=3 113 B11R2.2 c1csc(c1)c2ncc[nH]2 271570a_100000742291_100025796157 [0,0,0,0,0,0|3,0,0]=3 114 B11R2.2 c1csc(c1)c2ncc[nH]2 271570a_100016988920_100011215356 [0,0,0,0,0,0|3,0,0]=3 115 B11R2.2 c1csc(c1)c2ncco2 271570a_100000742291_100011787736 [0,0,0,0,0,0|2,0,0]=2 116 B11R2.2 c1csc(c1)c2nccs2 271570a_100000742291_100000211983 [0,0,0,0,0,0|2,1,0]=3 117 B11R2.2 c1csc(c1)c2ncns2 271570a_100000742291_100000693119 [0,0,0,0,0,0|3,0,0]=3 118 B11R2.2 c1csc(c1)c2nncs2 271570a_100000742291_100000739804 [0,0,0,0,0,0|1,1,0]=2 119 B11R2.2 c1csc(n1)c2cc[nH]c2 271570a_100000102155_100000211983 [0,0,0,0,0,0|3,1,0]=4 120 B11R2.2 c1csc(n1)c2cc[nH]n2 271570a_100000062414_100000211983 [0,0,0,0,0,0|2,0,2]=4 121 B11R2.2 c1csc(n1)c2ccoc2 271570a_100011218838_100000211983 [0,0,0,0,0,0|3,1,0]=4 122 B11R2.2 c1csc(n1)c2ccsc2 271570a_100011934443_100000211983 [0,0,0,0,0,0|3,1,0]=4 123 B11R2.2 c1csc(n1)c2cncs2 271570a_100010231675_100000211983 [0,0,0,0,0,0|2,1,1]=4 124 B11R2.2 c1nc(c[nH]1)c2cc[nH]n2 271570a_100000062414_100000756875 [0,0,0,0,0,0|2,0,2]=4 125 B11R2.2 c1nc(c[nH]1)c2cncs2 271570a_100010231675_100000756875 [0,0,0,0,0,0|2,1,1]=4 126 B11R2.2 c1nc(cs1)c2cncs2 271570a_100010231675_100000751502 [0,0,0,0,0,0|2,1,1]=4 127 B11R2.2 c1nc(n[nH]1)c2ccoc2 271570a_100011218838_100000761765 [0,0,0,0,0,0|3,0,1]=4 128 B11R2.2 c1nc(n[nH]1)c2ccsc2 271570a_100011934443_100000761765 [0,0,0,0,0,0|3,0,1]=4 129 B11R2.2 c1nc(n[nH]1)c2cncs2 271570a_100010231675_100000761765 [0,0,0,0,0,0|3,0,1]=4 130 B11R2.2 c1ncc(o1)c2ccsc2 271570a_100011934443_100020591547 [0,0,0,0,0,0|3,0,0]=3 131 B11R2.2 c1ncc(o1)c2cn[nH]c2 271570a_100000041997_100020591547 [0,0,0,0,0,0|4,0,0]=4 132 B11R2.2 c1ncc(o1)c2cncs2 271570a_100010231675_100020591547 [0,0,0,0,0,0|3,0,0]=3 133 B11R2.2 c1ncc(s1)c2cncs2 271570a_100010231675_100011934649 [0,0,0,0,0,0|3,1,0]=4 134 B11R2.2 c1ncc(s1)c2nncs2 271570a_100010231675_100000739804 [0,0,0,0,0,0|2,1,0]=3 135 B11R2.2 c1nnc(s1)c2cn[nH]c2 271570a_100000041997_100000739804 [0,0,0,0,0,0|3,1,0]=4 136 B11R2.2 c1nsc(n1)c2cc[nH]c2 271570a_100000102155_100000693119 [0,0,0,0,0,0|4,0,0]=4 137 B11R2.2 c1nsc(n1)c2cc[nH]n2 271570a_100000062414_100000693119 [0,0,0,0,0,0|3,0,1]=4 138 B11R2.2 c1nsc(n1)c2ccoc2 271570a_100011218838_100000693119 [0,0,0,0,0,0|4,0,0]=4 139 B11R2.2 c1nsc(n1)c2ccsc2 271570a_100011934443_100000693119 [0,0,0,0,0,0|4,0,0]=4 140 B11R2.2 c1nsc(n1)c2cncs2 271570a_100010231675_100000693119 [0,0,0,0,0,0|4,0,0]=4 141 B12R2.6 Brc1cc([nH]n1)c2cc[nH]n2 271570a_100000062414_100160470719 [0,1,0,0,0,0|2,0,1]=4 142 B12R2.6 Brc1cc([nH]n1)c2ccco2 271570a_100000750936_100160470719 [0,1,0,0,0,0|2,0,1]=4 143 B12R2.6 Brc1cc([nH]n1)c2cccs2 271570a_100000742291_100160470719 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.6 Brc1cc([nH]n1)c2cncs2 271570a_100010231675_100160470719 [0,1,0,0,0,0|2,1,0]=4 145 B12R2.6 Brc1cc([nH]n1)c2ncc[nH]2 271570a_100016988920_100160470719 [0,1,0,0,0,0|2,0,1]=4 146 B12R2.6 Brc1ccc(s1)c2cc[nH]n2 271570a_100000062414_100010197418 [0,1,0,0,0,0|2,0,1]=4 147 B12R2.6 Brc1ccc(s1)c2ccco2 271570a_100000750936_100010197418 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.6 Brc1ccc(s1)c2cncs2 271570a_100010231675_100010197418 [0,1,0,0,0,0|2,1,0]=4 149 B12R2.6 Brc1ccc(s1)c2ncc[nH]2 271570a_100016988920_100010197418 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.6 Brc1csc(n1)c2ccco2 271570a_100000750936_200016082925 [0,1,0,0,0,0|2,1,0]=4 151 B12R2.6 Brc1csc(n1)c2cccs2 271570a_100000742291_200016082925 [0,1,0,0,0,0|2,1,0]=4 152 B12R2.6 Brc1csc(n1)c2ncc[nH]2 271570a_100016988920_200016082925 [0,1,0,0,0,0|2,1,0]=4 153 B12R2.6 Cc1c[nH]c(n1)c2cc[nH]n2 271570a_100000062414_100161115468 [0,1,0,0,0,0|2,0,1]=4 154 B12R2.6 Cc1c[nH]c(n1)c2ccco2 271570a_100000750936_100161115468 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.6 Cc1c[nH]c(n1)c2cccs2 271570a_100000742291_100161115468 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.6 Cc1c[nH]c(n1)c2cncs2 271570a_100010231675_100161115468 [0,1,0,0,0,0|2,1,0]=4 157 B12R2.6 Cc1c[nH]c(n1)c2ncc[nH]2 271570a_100016988920_100161115468 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.6 Cc1cc(cs1)c2cnco2 271570a_100000699828_100020591547 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.6 Cc1cc(cs1)c2ncco2 271570a_100000699828_100011787736 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.6 Cc1cc(cs1)c2nncs2 271570a_100000699828_100000739804 [0,1,0,0,0,0|2,1,0]=4 161 B12R2.6 Cc1cc(n[nH]1)c2ccco2 271570a_100000750936_100015199547 [0,1,0,0,0,0|2,0,1]=4 162 B12R2.6 Cc1cc(n[nH]1)c2ccco2 271570a_100009872134_100009814098 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.6 Cc1cc(n[nH]1)c2cccs2 271570a_100000742291_100015199547 [0,1,0,0,0,0|2,0,1]=4 164 B12R2.6 Cc1cc(n[nH]1)c2cccs2 271570a_100009872134_100011215356 [0,1,0,0,0,0|2,0,1]=4 165 B12R2.6 Cc1cc(n[nH]1)c2cnco2 271570a_100009872134_100020591547 [0,1,0,0,0,0|2,0,1]=4 166 B12R2.6 Cc1cc(n[nH]1)c2ncc[nH]2 271570a_100009872134_100025796157 [0,1,0,0,0,0|2,0,1]=4 167 B12R2.6 Cc1cc(n[nH]1)c2ncc[nH]2 271570a_100016988920_100015199547 [0,1,0,0,0,0|2,0,1]=4 168 B12R2.6 Cc1cc(n[nH]1)c2ncco2 271570a_100009872134_100011787736 [0,1,0,0,0,0|2,0,1]=4 169 B12R2.6 Cc1cc(n[nH]1)c2nncs2 271570a_100009872134_100000739804 [0,1,0,0,0,0|1,1,1]=4 170 B12R2.6 Cc1cc(sn1)c2ccco2 271570a_100000750936_100009815735 [0,1,0,0,0,0|3,0,0]=4 171 B12R2.6 Cc1cc(sn1)c2cccs2 271570a_100000742291_100009815735 [0,1,0,0,0,0|3,0,0]=4 172 B12R2.6 Cc1cc(sn1)c2ncc[nH]2 271570a_100016988920_100009815735 [0,1,0,0,0,0|3,0,0]=4 173 B12R2.6 Cc1ccc(o1)c2cc[nH]n2 271570a_100000061910_100000062575 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.6 Cc1ccc(o1)c2ccco2 271570a_100000061910_100009814098 [0,1,0,0,0,0|3,0,0]=4 175 B12R2.6 Cc1ccc(o1)c2cccs2 271570a_100000061910_100011215356 [0,1,0,0,0,0|3,0,0]=4 176 B12R2.6 Cc1ccc(o1)c2ccsn2 271570a_100000061910_100009818082 [0,1,0,0,0,0|3,0,0]=4 177 B12R2.6 Cc1ccc(o1)c2cnco2 271570a_100000061910_100020591547 [0,1,0,0,0,0|2,0,0]=3 178 B12R2.6 Cc1ccc(o1)c2cncs2 271570a_100000061910_100011934649 [0,1,0,0,0,0|2,1,0]=4 179 B12R2.6 Cc1ccc(o1)c2nc[nH]n2 271570a_100000061910_100000761765 [0,1,0,0,0,0|2,0,1]=4 180 B12R2.6 Cc1ccc(o1)c2ncc[nH]2 271570a_100000061910_100025796157 [0,1,0,0,0,0|3,0,0]=4 181 B12R2.6 Cc1ccc(o1)c2ncco2 271570a_100000061910_100011787736 [0,1,0,0,0,0|2,0,0]=3 182 B12R2.6 Cc1ccc(o1)c2nccs2 271570a_100000061910_100000211983 [0,1,0,0,0,0|2,1,0]=4 183 B12R2.6 Cc1ccc(o1)c2ncns2 271570a_100000061910_100000693119 [0,1,0,0,0,0|3,0,0]=4 184 B12R2.6 Cc1ccc(o1)c2nncs2 271570a_100000061910_100000739804 [0,1,0,0,0,0|1,1,0]=3 185 B12R2.6 Cc1ccc(s1)c2cc[nH]n2 271570a_100000062414_100000761539 [0,1,0,0,0,0|2,0,1]=4 186 B12R2.6 Cc1ccc(s1)c2cc[nH]n2 271570a_100011934456_100000062575 [0,1,0,0,0,0|2,0,1]=4 187 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100000750936_100000761539 [0,1,0,0,0,0|3,0,0]=4 188 B12R2.6 Cc1ccc(s1)c2ccco2 271570a_100011934456_100009814098 [0,1,0,0,0,0|3,0,0]=4 189 B12R2.6 Cc1ccc(s1)c2ccsn2 271570a_100011934456_100009818082 [0,1,0,0,0,0|3,0,0]=4 190 B12R2.6 Cc1ccc(s1)c2cnco2 271570a_100011934456_100020591547 [0,1,0,0,0,0|2,0,0]=3 191 B12R2.6 Cc1ccc(s1)c2cncs2 271570a_100010231675_100000761539 [0,1,0,0,0,0|2,1,0]=4 192 B12R2.6 Cc1ccc(s1)c2cncs2 271570a_100011934456_100011934649 [0,1,0,0,0,0|2,1,0]=4 193 B12R2.6 Cc1ccc(s1)c2nc[nH]n2 271570a_100011934456_100000761765 [0,1,0,0,0,0|2,0,1]=4 194 B12R2.6 Cc1ccc(s1)c2ncc[nH]2 271570a_100011934456_100025796157 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.6 Cc1ccc(s1)c2ncc[nH]2 271570a_100016988920_100000761539 [0,1,0,0,0,0|3,0,0]=4 196 B12R2.6 Cc1ccc(s1)c2ncco2 271570a_100011934456_100011787736 [0,1,0,0,0,0|2,0,0]=3 197 B12R2.6 Cc1ccc(s1)c2nccs2 271570a_100011934456_100000211983 [0,1,0,0,0,0|2,1,0]=4 198 B12R2.6 Cc1ccc(s1)c2ncns2 271570a_100011934456_100000693119 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.6 Cc1ccc(s1)c2nncs2 271570a_100011934456_100000739804 [0,1,0,0,0,0|1,1,0]=3 200 B12R2.6 Cc1cnc(s1)c2ccco2 271570a_100000750936_100000690809 [0,1,0,0,0,0|2,1,0]=4 201 B12R2.6 Cc1cnc(s1)c2cccs2 271570a_100000742291_100000690809 [0,1,0,0,0,0|2,1,0]=4 202 B12R2.6 Cc1cnc(s1)c2ncc[nH]2 271570a_100016988920_100000690809 [0,1,0,0,0,0|2,1,0]=4 203 B12R2.6 Cc1csc(c1)c2cc[nH]n2 271570a_100000038307_100000062575 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.6 Cc1csc(c1)c2cc[nH]n2 271570a_100000062414_100009876951 [0,1,0,0,0,0|2,0,1]=4 205 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000038307_100009814098 [0,1,0,0,0,0|3,0,0]=4 206 B12R2.6 Cc1csc(c1)c2ccco2 271570a_100000750936_100009876951 [0,1,0,0,0,0|3,0,0]=4 207 B12R2.6 Cc1csc(c1)c2ccsn2 271570a_100000038307_100009818082 [0,1,0,0,0,0|3,0,0]=4 208 B12R2.6 Cc1csc(c1)c2cnco2 271570a_100000038307_100020591547 [0,1,0,0,0,0|2,0,0]=3 209 B12R2.6 Cc1csc(c1)c2cncs2 271570a_100000038307_100011934649 [0,1,0,0,0,0|2,1,0]=4 210 B12R2.6 Cc1csc(c1)c2cncs2 271570a_100010231675_100009876951 [0,1,0,0,0,0|2,1,0]=4 211 B12R2.6 Cc1csc(c1)c2nc[nH]n2 271570a_100000038307_100000761765 [0,1,0,0,0,0|2,0,1]=4 212 B12R2.6 Cc1csc(c1)c2ncc[nH]2 271570a_100000038307_100025796157 [0,1,0,0,0,0|3,0,0]=4 213 B12R2.6 Cc1csc(c1)c2ncc[nH]2 271570a_100016988920_100009876951 [0,1,0,0,0,0|3,0,0]=4 214 B12R2.6 Cc1csc(c1)c2ncco2 271570a_100000038307_100011787736 [0,1,0,0,0,0|2,0,0]=3 215 B12R2.6 Cc1csc(c1)c2nccs2 271570a_100000038307_100000211983 [0,1,0,0,0,0|2,1,0]=4 216 B12R2.6 Cc1csc(c1)c2ncns2 271570a_100000038307_100000693119 [0,1,0,0,0,0|3,0,0]=4 217 B12R2.6 Cc1csc(c1)c2nncs2 271570a_100000038307_100000739804 [0,1,0,0,0,0|1,1,0]=3 218 B12R2.6 Cc1csc(n1)c2ccco2 271570a_100000750936_100011291629 [0,1,0,0,0,0|2,1,0]=4 219 B12R2.6 Cc1csc(n1)c2cccs2 271570a_100000742291_100011291629 [0,1,0,0,0,0|2,1,0]=4 220 B12R2.6 Cc1csc(n1)c2ncc[nH]2 271570a_100016988920_100011291629 [0,1,0,0,0,0|2,1,0]=4 221 B12R2.6 Cc1nc(n[nH]1)c2ccco2 271570a_100000750936_100000732540 [0,1,0,0,0,0|2,0,1]=4 222 B12R2.6 Cc1nc(n[nH]1)c2cccs2 271570a_100000742291_100000732540 [0,1,0,0,0,0|2,0,1]=4 223 B12R2.6 Cc1nc(n[nH]1)c2ncc[nH]2 271570a_100016988920_100000732540 [0,1,0,0,0,0|2,0,1]=4 224 B12R2.6 Cc1nc(no1)c2ccc[nH]2 270196a_100000764488_100000070787 [0,1,0,0,0,0|2,0,0]=3 225 B12R2.6 Cc1nc(no1)c2ccco2 270196a_100000735424_100000070787 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.6 Cc1nc(no1)c2ccco2 271570a_100000750936_100012003639 [0,1,0,0,0,0|3,0,0]=4 227 B12R2.6 Cc1nc(no1)c2cccs2 270196a_100000184399_100000070787 [0,1,0,0,0,0|3,0,0]=4 228 B12R2.6 Cc1nc(no1)c2cccs2 271570a_100000742291_100012003639 [0,1,0,0,0,0|3,0,0]=4 229 B12R2.6 Cc1nc(no1)c2ccn[nH]2 270196a_100011804834_100000070787 [0,1,0,0,0,0|3,0,0]=4 230 B12R2.6 Cc1nc(no1)c2cnc[nH]2 270196a_100000062572_100000070787 [0,1,0,0,0,0|3,0,0]=4 231 B12R2.6 Cc1nc(no1)c2ncc[nH]2 270196a_100016994188_100000070787 [0,1,0,0,0,0|3,0,0]=4 232 B12R2.6 Cc1nc(no1)c2ncc[nH]2 271570a_100016988920_100012003639 [0,1,0,0,0,0|3,0,0]=4 233 B12R2.6 Cc1ncc(s1)c2ccco2 271570a_100000696845_100009814098 [0,1,0,0,0,0|2,1,0]=4 234 B12R2.6 Cc1ncc(s1)c2ccco2 271570a_100000750936_100000764884 [0,1,0,0,0,0|2,1,0]=4 235 B12R2.6 Cc1ncc(s1)c2cccs2 271570a_100000696845_100011215356 [0,1,0,0,0,0|2,1,0]=4 236 B12R2.6 Cc1ncc(s1)c2cccs2 271570a_100000742291_100000764884 [0,1,0,0,0,0|2,1,0]=4 237 B12R2.6 Cc1ncc(s1)c2cnco2 271570a_100000696845_100020591547 [0,1,0,0,0,0|3,0,0]=4 238 B12R2.6 Cc1ncc(s1)c2ncc[nH]2 271570a_100000696845_100025796157 [0,1,0,0,0,0|2,1,0]=4 239 B12R2.6 Cc1ncc(s1)c2ncc[nH]2 271570a_100016988920_100000764884 [0,1,0,0,0,0|2,1,0]=4 240 B12R2.6 Cc1ncc(s1)c2ncco2 271570a_100000696845_100011787736 [0,1,0,0,0,0|3,0,0]=4 241 B12R2.6 Cc1ncc(s1)c2nncs2 271570a_100000696845_100000739804 [0,1,0,0,0,0|2,1,0]=4 242 B12R2.6 Cc1nnc(o1)C2=CCCC2 271570a_100000089523_100000708914 [0,1,0,0,0,0|1,0,2]=4 243 B12R2.6 Cc1nnc(o1)C2=CCOC2 271570a_100009872500_100000708914 [0,1,0,0,0,0|2,0,1]=4 244 B12R2.6 Cc1nnc(o1)C2=COCC2 271570a_100000118173_100000708914 [0,1,0,0,0,0|2,0,1]=4 245 B12R2.6 Cc1nnc(o1)N2CC=CC2 27a_100015195280_100000708914 [0,1,0,0,0,0|2,0,1]=4 246 B12R2.6 Cc1nnc(o1)c2cc[nH]c2 271570a_100000102155_100000708914 [0,1,0,0,0,0|2,0,0]=3 247 B12R2.6 Cc1nnc(o1)c2cc[nH]n2 271570a_100000062414_100000708914 [0,1,0,0,0,0|1,0,1]=3 248 B12R2.6 Cc1nnc(o1)c2ccco2 271570a_100000750936_100000708914 [0,1,0,0,0,0|1,0,0]=2 249 B12R2.6 Cc1nnc(o1)c2cccs2 271570a_100000742291_100000708914 [0,1,0,0,0,0|1,0,0]=2 250 B12R2.6 Cc1nnc(o1)c2ccoc2 271570a_100011218838_100000708914 [0,1,0,0,0,0|2,0,0]=3 251 B12R2.6 Cc1nnc(o1)c2ccsc2 271570a_100011934443_100000708914 [0,1,0,0,0,0|2,0,0]=3 252 B12R2.6 Cc1nnc(o1)c2cn[nH]c2 271570a_100000041997_100000708914 [0,1,0,0,0,0|3,0,0]=4 253 B12R2.6 Cc1nnc(o1)c2cncs2 271570a_100010231675_100000708914 [0,1,0,0,0,0|2,0,0]=3 254 B12R2.6 Cc1nnc(o1)c2ncc[nH]2 271570a_100016988920_100000708914 [0,1,0,0,0,0|1,0,0]=2 255 B12R2.6 Cc1nnc(s1)c2cc[nH]c2 271570a_100000102155_100000686958 [0,1,0,0,0,0|2,1,0]=4 256 B12R2.6 Cc1nnc(s1)c2cc[nH]n2 271570a_100000062414_100000686958 [0,1,0,0,0,0|1,1,1]=4 257 B12R2.6 Cc1nnc(s1)c2ccco2 271570a_100000750936_100000686958 [0,1,0,0,0,0|1,1,0]=3 258 B12R2.6 Cc1nnc(s1)c2cccs2 271570a_100000742291_100000686958 [0,1,0,0,0,0|1,1,0]=3 259 B12R2.6 Cc1nnc(s1)c2ccoc2 271570a_100011218838_100000686958 [0,1,0,0,0,0|2,1,0]=4 260 B12R2.6 Cc1nnc(s1)c2ccsc2 271570a_100011934443_100000686958 [0,1,0,0,0,0|2,1,0]=4 261 B12R2.6 Cc1nnc(s1)c2cncs2 271570a_100010231675_100000686958 [0,1,0,0,0,0|2,1,0]=4 262 B12R2.6 Cc1nnc(s1)c2ncc[nH]2 271570a_100016988920_100000686958 [0,1,0,0,0,0|1,1,0]=3 263 B12R2.6 Cc1nsc(n1)c2ccco2 271570a_100000750936_100000709739 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.6 Cc1nsc(n1)c2cccs2 271570a_100000742291_100000709739 [0,1,0,0,0,0|3,0,0]=4 265 B12R2.6 Cc1nsc(n1)c2ncc[nH]2 271570a_100016988920_100000709739 [0,1,0,0,0,0|3,0,0]=4 266 B12R2.6 Clc1ccc(s1)c2cc[nH]n2 271570a_100000708867_100000062575 [0,1,0,0,0,0|2,0,1]=4 267 B12R2.6 Clc1ccc(s1)c2ccco2 271570a_100000708867_100009814098 [0,1,0,0,0,0|3,0,0]=4 268 B12R2.6 Clc1ccc(s1)c2ccsn2 271570a_100000708867_100009818082 [0,1,0,0,0,0|3,0,0]=4 269 B12R2.6 Clc1ccc(s1)c2cnco2 271570a_100000708867_100020591547 [0,1,0,0,0,0|2,0,0]=3 270 B12R2.6 Clc1ccc(s1)c2cncs2 271570a_100000708867_100011934649 [0,1,0,0,0,0|2,1,0]=4 271 B12R2.6 Clc1ccc(s1)c2nc[nH]n2 271570a_100000708867_100000761765 [0,1,0,0,0,0|2,0,1]=4 272 B12R2.6 Clc1ccc(s1)c2ncc[nH]2 271570a_100000708867_100025796157 [0,1,0,0,0,0|3,0,0]=4 273 B12R2.6 Clc1ccc(s1)c2ncco2 271570a_100000708867_100011787736 [0,1,0,0,0,0|2,0,0]=3 274 B12R2.6 Clc1ccc(s1)c2nccs2 271570a_100000708867_100000211983 [0,1,0,0,0,0|2,1,0]=4 275 B12R2.6 Clc1ccc(s1)c2ncns2 271570a_100000708867_100000693119 [0,1,0,0,0,0|3,0,0]=4 276 B12R2.6 Clc1ccc(s1)c2nncs2 271570a_100000708867_100000739804 [0,1,0,0,0,0|1,1,0]=3 277 B12R2.6 Cn1cc(nn1)c2ccco2 271570a_100000750936_100000760339 [0,1,0,0,0,0|3,0,0]=4 278 B12R2.6 Cn1cc(nn1)c2cccs2 271570a_100000742291_100000760339 [0,1,0,0,0,0|3,0,0]=4 279 B12R2.6 Cn1cc(nn1)c2cccs2 274090a_200000210301_100011470566 [0,1,0,0,0,0|3,0,0]=4 280 B12R2.6 Cn1cc(nn1)c2ncc[nH]2 271570a_100016988920_100000760339 [0,1,0,0,0,0|3,0,0]=4 281 B12R2.6 Cn1ccc(c1)c2cnco2 271570a_100010172022_100020591547 [0,1,0,0,0,0|3,0,0]=4 282 B12R2.6 Cn1ccc(c1)c2ncco2 271570a_100010172022_100011787736 [0,1,0,0,0,0|3,0,0]=4 283 B12R2.6 Cn1ccc(c1)c2nncs2 271570a_100010172022_100000739804 [0,1,0,0,0,0|2,1,0]=4 284 B12R2.6 Cn1ccc(n1)c2ccco2 271570a_100000750936_100000752436 [0,1,0,0,0,0|2,0,1]=4 285 B12R2.6 Cn1ccc(n1)c2ccco2 271570a_100012348833_100009814098 [0,1,0,0,0,0|2,0,1]=4 286 B12R2.6 Cn1ccc(n1)c2cccs2 271570a_100000742291_100000752436 [0,1,0,0,0,0|2,0,1]=4 287 B12R2.6 Cn1ccc(n1)c2cccs2 271570a_100012348833_100011215356 [0,1,0,0,0,0|2,0,1]=4 288 B12R2.6 Cn1ccc(n1)c2cnco2 271570a_100012348833_100020591547 [0,1,0,0,0,0|2,0,1]=4 289 B12R2.6 Cn1ccc(n1)c2ncc[nH]2 271570a_100012348833_100025796157 [0,1,0,0,0,0|2,0,1]=4 290 B12R2.6 Cn1ccc(n1)c2ncc[nH]2 271570a_100016988920_100000752436 [0,1,0,0,0,0|2,0,1]=4 291 B12R2.6 Cn1ccc(n1)c2ncco2 271570a_100012348833_100011787736 [0,1,0,0,0,0|2,0,1]=4 292 B12R2.6 Cn1ccc(n1)c2nncs2 271570a_100012348833_100000739804 [0,1,0,0,0,0|1,1,1]=4 293 B12R2.6 Cn1cnc(n1)c2ccco2 271570a_100000750936_100009819955 [0,1,0,0,0,0|2,0,1]=4 294 B12R2.6 Cn1cnc(n1)c2cccs2 271570a_100000742291_100009819955 [0,1,0,0,0,0|2,0,1]=4 295 B12R2.6 Cn1cnc(n1)c2ncc[nH]2 271570a_100016988920_100009819955 [0,1,0,0,0,0|2,0,1]=4 296 B12R2.6 Cn1nnc(n1)c2ccco2 271570a_100000750936_200009870515 [0,1,0,0,0,0|3,0,0]=4 297 B12R2.6 Cn1nnc(n1)c2cccs2 271570a_100000742291_200009870515 [0,1,0,0,0,0|3,0,0]=4 298 B12R2.6 Cn1nnc(n1)c2ncc[nH]2 271570a_100016988920_200009870515 [0,1,0,0,0,0|3,0,0]=4 299 B12R2.6 Nc1cc(n[nH]1)c2ccco2 271570a_100000750936_100009822546 [0,1,0,0,0,0|2,0,1]=4 300 B12R2.6 Nc1cc(n[nH]1)c2cccs2 271570a_100000742291_100009822546 [0,1,0,0,0,0|2,0,1]=4 301 B12R2.6 Nc1cc(n[nH]1)c2ncc[nH]2 271570a_100016988920_100009822546 [0,1,0,0,0,0|2,0,1]=4 302 B12R2.6 Nc1csc(n1)c2ccco2 271570a_100000750936_200015188442 [0,1,0,0,0,0|2,1,0]=4 303 B12R2.6 Nc1csc(n1)c2cccs2 271570a_100000742291_200015188442 [0,1,0,0,0,0|2,1,0]=4 304 B12R2.6 Nc1csc(n1)c2ncc[nH]2 271570a_100016988920_200015188442 [0,1,0,0,0,0|2,1,0]=4 305 B12R2.6 Nc1nc(n[nH]1)c2ccco2 271570a_100000750936_100015184587 [0,1,0,0,0,0|2,0,1]=4 306 B12R2.6 Nc1nc(n[nH]1)c2cccs2 271570a_100000742291_100015184587 [0,1,0,0,0,0|2,0,1]=4 307 B12R2.6 Nc1nc(n[nH]1)c2ncc[nH]2 271570a_100016988920_100015184587 [0,1,0,0,0,0|2,0,1]=4 308 B12R2.6 Nc1nnc(s1)c2cc[nH]c2 271570a_100000102155_100000738278 [0,1,0,0,0,0|2,1,0]=4 309 B12R2.6 Nc1nnc(s1)c2cc[nH]n2 271570a_100000062414_100000738278 [0,1,0,0,0,0|1,1,1]=4 310 B12R2.6 Nc1nnc(s1)c2ccco2 271570a_100000750936_100000738278 [0,1,0,0,0,0|1,1,0]=3 311 B12R2.6 Nc1nnc(s1)c2cccs2 271570a_100000742291_100000738278 [0,1,0,0,0,0|1,1,0]=3 312 B12R2.6 Nc1nnc(s1)c2ccoc2 271570a_100011218838_100000738278 [0,1,0,0,0,0|2,1,0]=4 313 B12R2.6 Nc1nnc(s1)c2ccsc2 271570a_100011934443_100000738278 [0,1,0,0,0,0|2,1,0]=4 314 B12R2.6 Nc1nnc(s1)c2cncs2 271570a_100010231675_100000738278 [0,1,0,0,0,0|2,1,0]=4 315 B12R2.6 Nc1nnc(s1)c2ncc[nH]2 271570a_100016988920_100000738278 [0,1,0,0,0,0|1,1,0]=3 316 B12R2.6 O=C1C=C(CC1)c2cnco2 271570a_100010737933_100020591547 [0,1,0,0,0,0|2,0,1]=4 317 B12R2.6 O=C1C=C(CC1)c2ncco2 271570a_100010737933_100011787736 [0,1,0,0,0,0|2,0,1]=4 318 B12R2.6 O=C1C=C(CC1)c2nncs2 271570a_100010737933_100000739804 [0,1,0,0,0,0|1,1,1]=4 319 B12R2.6 Oc1ccc(s1)c2cc[nH]n2 271570a_203496583355_100000721686 [0,1,0,0,0,0|2,0,1]=4 320 B12R2.6 Oc1ccc(s1)c2ccno2 271570a_203496583355_100011934308 [0,1,0,0,0,0|3,0,0]=4 321 B12R2.6 Oc1ccc(s1)c2nnn[nH]2 271570a_203496583355_100000689327 [0,1,0,0,0,0|3,0,0]=4 322 B12R2.6 Oc1nc(no1)c2ccc[nH]2 270196a_100000764488_100015183105 [0,1,0,0,0,0|2,0,0]=3 323 B12R2.6 Oc1nc(no1)c2ccco2 270196a_100000735424_100015183105 [0,1,0,0,0,0|3,0,0]=4 324 B12R2.6 Oc1nc(no1)c2cccs2 270196a_100000184399_100015183105 [0,1,0,0,0,0|3,0,0]=4 325 B12R2.6 Oc1nc(no1)c2ccn[nH]2 270196a_100011804834_100015183105 [0,1,0,0,0,0|3,0,0]=4 326 B12R2.6 Oc1nc(no1)c2cnc[nH]2 270196a_100000062572_100015183105 [0,1,0,0,0,0|3,0,0]=4 327 B12R2.6 Oc1nc(no1)c2ncc[nH]2 270196a_100016994188_100015183105 [0,1,0,0,0,0|3,0,0]=4 328 B12R2.6 [13CH3]n1cc(nn1)c2cccs2 274090a_200025704644_100011470566 [0,1,0,0,0,0|3,0,0]=4 329 B12R2.10 Brc1c[nH]nc1c2ccco2 271570a_100000750936_100015839836 [0,1,0,0,0,0|2,0,1]=4 330 B12R2.10 Brc1c[nH]nc1c2cccs2 271570a_100000742291_100015839836 [0,1,0,0,0,0|2,0,1]=4 331 B12R2.10 Brc1c[nH]nc1c2ncc[nH]2 271570a_100016988920_100015839836 [0,1,0,0,0,0|2,0,1]=4 332 B12R2.10 Brc1ccsc1c2cc[nH]n2 271570a_100000062414_100012361411 [0,1,0,0,0,0|2,0,1]=4 333 B12R2.10 Brc1ccsc1c2ccco2 271570a_100000750936_100012361411 [0,1,0,0,0,0|3,0,0]=4 334 B12R2.10 Brc1ccsc1c2cncs2 271570a_100010231675_100012361411 [0,1,0,0,0,0|2,1,0]=4 335 B12R2.10 Brc1ccsc1c2ncc[nH]2 271570a_100016988920_100012361411 [0,1,0,0,0,0|3,0,0]=4 336 B12R2.10 Cc1c[nH]nc1c2ccco2 271570a_100000750936_100009871783 [0,1,0,0,0,0|2,0,1]=4 337 B12R2.10 Cc1c[nH]nc1c2ccco2 271570a_100102527747_100009814098 [0,1,0,0,0,0|2,0,1]=4 338 B12R2.10 Cc1c[nH]nc1c2cccs2 271570a_100000742291_100009871783 [0,1,0,0,0,0|2,0,1]=4 339 B12R2.10 Cc1c[nH]nc1c2cccs2 271570a_100102527747_100011215356 [0,1,0,0,0,0|2,0,1]=4 340 B12R2.10 Cc1c[nH]nc1c2cnco2 271570a_100102527747_100020591547 [0,1,0,0,0,0|2,0,1]=4 341 B12R2.10 Cc1c[nH]nc1c2ncc[nH]2 271570a_100016988920_100009871783 [0,1,0,0,0,0|2,0,1]=4 342 B12R2.10 Cc1c[nH]nc1c2ncc[nH]2 271570a_100102527747_100025796157 [0,1,0,0,0,0|2,0,1]=4 343 B12R2.10 Cc1c[nH]nc1c2ncco2 271570a_100102527747_100011787736 [0,1,0,0,0,0|2,0,1]=4 344 B12R2.10 Cc1c[nH]nc1c2nncs2 271570a_100102527747_100000739804 [0,1,0,0,0,0|1,1,1]=4 345 B12R2.10 Cc1ccsc1c2cc[nH]n2 271570a_100000062414_100000742657 [0,1,0,0,0,0|2,0,1]=4 346 B12R2.10 Cc1ccsc1c2cc[nH]n2 271570a_100000734444_100000062575 [0,1,0,0,0,0|2,0,1]=4 347 B12R2.10 Cc1ccsc1c2ccco2 271570a_100000734444_100009814098 [0,1,0,0,0,0|3,0,0]=4 348 B12R2.10 Cc1ccsc1c2ccco2 271570a_100000750936_100000742657 [0,1,0,0,0,0|3,0,0]=4 349 B12R2.10 Cc1ccsc1c2ccsn2 271570a_100000734444_100009818082 [0,1,0,0,0,0|3,0,0]=4 350 B12R2.10 Cc1ccsc1c2cnco2 271570a_100000734444_100020591547 [0,1,0,0,0,0|2,0,0]=3 351 B12R2.10 Cc1ccsc1c2cncs2 271570a_100000734444_100011934649 [0,1,0,0,0,0|2,1,0]=4 352 B12R2.10 Cc1ccsc1c2cncs2 271570a_100010231675_100000742657 [0,1,0,0,0,0|2,1,0]=4 353 B12R2.10 Cc1ccsc1c2nc[nH]n2 271570a_100000734444_100000761765 [0,1,0,0,0,0|2,0,1]=4 354 B12R2.10 Cc1ccsc1c2ncc[nH]2 271570a_100000734444_100025796157 [0,1,0,0,0,0|3,0,0]=4 355 B12R2.10 Cc1ccsc1c2ncc[nH]2 271570a_100016988920_100000742657 [0,1,0,0,0,0|3,0,0]=4 356 B12R2.10 Cc1ccsc1c2ncco2 271570a_100000734444_100011787736 [0,1,0,0,0,0|2,0,0]=3 357 B12R2.10 Cc1ccsc1c2nccs2 271570a_100000734444_100000211983 [0,1,0,0,0,0|2,1,0]=4 358 B12R2.10 Cc1ccsc1c2ncns2 271570a_100000734444_100000693119 [0,1,0,0,0,0|3,0,0]=4 359 B12R2.10 Cc1ccsc1c2nncs2 271570a_100000734444_100000739804 [0,1,0,0,0,0|1,1,0]=3 360 B12R2.10 Cc1cscc1c2cnco2 271570a_100000069996_100020591547 [0,1,0,0,0,0|3,0,0]=4 361 B12R2.10 Cc1cscc1c2ncco2 271570a_100000069996_100011787736 [0,1,0,0,0,0|3,0,0]=4 362 B12R2.10 Cc1cscc1c2nncs2 271570a_100000069996_100000739804 [0,1,0,0,0,0|2,1,0]=4 363 B12R2.10 Cc1ncsc1c2ccco2 271570a_100000750936_100009817116 [0,1,0,0,0,0|2,1,0]=4 364 B12R2.10 Cc1ncsc1c2ccco2 271570a_100010115231_100009814098 [0,1,0,0,0,0|2,1,0]=4 365 B12R2.10 Cc1ncsc1c2cccs2 271570a_100000742291_100009817116 [0,1,0,0,0,0|2,1,0]=4 366 B12R2.10 Cc1ncsc1c2cccs2 271570a_100010115231_100011215356 [0,1,0,0,0,0|2,1,0]=4 367 B12R2.10 Cc1ncsc1c2cnco2 271570a_100010115231_100020591547 [0,1,0,0,0,0|3,0,0]=4 368 B12R2.10 Cc1ncsc1c2ncc[nH]2 271570a_100010115231_100025796157 [0,1,0,0,0,0|2,1,0]=4 369 B12R2.10 Cc1ncsc1c2ncc[nH]2 271570a_100016988920_100009817116 [0,1,0,0,0,0|2,1,0]=4 370 B12R2.10 Cc1ncsc1c2ncco2 271570a_100010115231_100011787736 [0,1,0,0,0,0|3,0,0]=4 371 B12R2.10 Cc1ncsc1c2nncs2 271570a_100010115231_100000739804 [0,1,0,0,0,0|2,1,0]=4 372 B12R2.10 Cc1occc1c2cnco2 271570a_100000070625_100020591547 [0,1,0,0,0,0|3,0,0]=4 373 B12R2.10 Cc1occc1c2ncco2 271570a_100000070625_100011787736 [0,1,0,0,0,0|3,0,0]=4 374 B12R2.10 Cc1occc1c2nncs2 271570a_100000070625_100000739804 [0,1,0,0,0,0|2,1,0]=4 375 B12R2.10 Cc1sccc1c2cnco2 271570a_100012356473_100020591547 [0,1,0,0,0,0|3,0,0]=4 376 B12R2.10 Cc1sccc1c2ncco2 271570a_100012356473_100011787736 [0,1,0,0,0,0|3,0,0]=4 377 B12R2.10 Cc1sccc1c2nncs2 271570a_100012356473_100000739804 [0,1,0,0,0,0|2,1,0]=4 378 B12R2.10 Clc1nc[nH]c1c2cc[nH]n2 271570a_100000062414_100010200774 [0,1,0,0,0,0|2,0,1]=4 379 B12R2.10 Clc1nc[nH]c1c2ccco2 271570a_100000750936_100010200774 [0,1,0,0,0,0|3,0,0]=4 380 B12R2.10 Clc1nc[nH]c1c2cccs2 271570a_100000742291_100010200774 [0,1,0,0,0,0|3,0,0]=4 381 B12R2.10 Clc1nc[nH]c1c2cncs2 271570a_100010231675_100010200774 [0,1,0,0,0,0|2,1,0]=4 382 B12R2.10 Clc1nc[nH]c1c2ncc[nH]2 271570a_100016988920_100010200774 [0,1,0,0,0,0|3,0,0]=4 383 B12R2.10 Clc1sccc1c2cnco2 271570a_100000117213_100020591547 [0,1,0,0,0,0|3,0,0]=4 384 B12R2.10 Clc1sccc1c2ncco2 271570a_100000117213_100011787736 [0,1,0,0,0,0|3,0,0]=4 385 B12R2.10 Clc1sccc1c2nncs2 271570a_100000117213_100000739804 [0,1,0,0,0,0|2,1,0]=4 386 B12R2.10 Cn1cccc1c2c[nH]cn2 271570a_100000068268_100000756875 [0,1,0,0,0,0|2,0,1]=4 387 B12R2.10 Cn1cccc1c2cc[nH]n2 271570a_100000068268_100000062575 [0,1,0,0,0,0|1,0,1]=3 388 B12R2.10 Cn1cccc1c2ccco2 271570a_100000068268_100009814098 [0,1,0,0,0,0|2,0,0]=3 389 B12R2.10 Cn1cccc1c2cccs2 271570a_100000068268_100011215356 [0,1,0,0,0,0|2,1,0]=4 390 B12R2.10 Cn1cccc1c2ccoc2 271570a_100000068268_100011215275 [0,1,0,0,0,0|3,0,0]=4 391 B12R2.10 Cn1cccc1c2ccsc2 271570a_100000068268_100000738268 [0,1,0,0,0,0|3,0,0]=4 392 B12R2.10 Cn1cccc1c2ccsn2 271570a_100000068268_100009818082 [0,1,0,0,0,0|2,0,0]=3 393 B12R2.10 Cn1cccc1c2cn[nH]c2 271570a_100000068268_100000238712 [0,1,0,0,0,0|3,0,0]=4 394 B12R2.10 Cn1cccc1c2cnco2 271570a_100000068268_100020591547 [0,1,0,0,0,0|1,0,0]=2 395 B12R2.10 Cn1cccc1c2cncs2 271570a_100000068268_100011934649 [0,1,0,0,0,0|1,1,0]=3 396 B12R2.10 Cn1cccc1c2cnoc2 271570a_100000068268_100009815712 [0,1,0,0,0,0|3,0,0]=4 397 B12R2.10 Cn1cccc1c2cnsc2 271570a_100000068268_100009815736 [0,1,0,0,0,0|3,0,0]=4 398 B12R2.10 Cn1cccc1c2cscn2 271570a_100000068268_100000751502 [0,1,0,0,0,0|3,0,0]=4 399 B12R2.10 Cn1cccc1c2nc[nH]n2 271570a_100000068268_100000761765 [0,1,0,0,0,0|1,0,1]=3 400 B12R2.10 Cn1cccc1c2ncc[nH]2 271570a_100000068268_100025796157 [0,1,0,0,0,0|2,0,0]=3 401 B12R2.10 Cn1cccc1c2ncco2 271570a_100000068268_100011787736 [0,1,0,0,0,0|1,0,0]=2 402 B12R2.10 Cn1cccc1c2nccs2 271570a_100000068268_100000211983 [0,1,0,0,0,0|1,1,0]=3 403 B12R2.10 Cn1cccc1c2ncns2 271570a_100000068268_100000693119 [0,1,0,0,0,0|2,0,0]=3 404 B12R2.10 Cn1cccc1c2nncs2 271570a_100000068268_100000739804 [0,1,0,0,0,0|0,1,0]=2 405 B12R2.10 Cn1ccnc1c2cc[nH]n2 271570a_100000062414_100000707724 [0,1,0,0,0,0|2,0,1]=4 406 B12R2.10 Cn1ccnc1c2ccco2 271570a_100000750936_100000707724 [0,1,0,0,0,0|3,0,0]=4 407 B12R2.10 Cn1ccnc1c2cccs2 271570a_100000742291_100000707724 [0,1,0,0,0,0|3,0,0]=4 408 B12R2.10 Cn1ccnc1c2cncs2 271570a_100010231675_100000707724 [0,1,0,0,0,0|2,1,0]=4 409 B12R2.10 Cn1ccnc1c2ncc[nH]2 271570a_100016988920_100000707724 [0,1,0,0,0,0|3,0,0]=4 410 B12R2.10 Cn1cncc1c2cc[nH]n2 271570a_100000062414_100009814087 [0,1,0,0,0,0|2,0,1]=4 411 B12R2.10 Cn1cncc1c2cc[nH]n2 271570a_100009892668_100000062575 [0,1,0,0,0,0|2,0,1]=4 412 B12R2.10 Cn1cncc1c2ccco2 271570a_100000750936_100009814087 [0,1,0,0,0,0|3,0,0]=4 413 B12R2.10 Cn1cncc1c2ccco2 271570a_100009892668_100009814098 [0,1,0,0,0,0|3,0,0]=4 414 B12R2.10 Cn1cncc1c2cccs2 271570a_100000742291_100009814087 [0,1,0,0,0,0|3,0,0]=4 415 B12R2.10 Cn1cncc1c2cccs2 271570a_100009892668_100011215356 [0,1,0,0,0,0|3,0,0]=4 416 B12R2.10 Cn1cncc1c2ccsn2 271570a_100009892668_100009818082 [0,1,0,0,0,0|3,0,0]=4 417 B12R2.10 Cn1cncc1c2cnco2 271570a_100009892668_100020591547 [0,1,0,0,0,0|2,0,0]=3 418 B12R2.10 Cn1cncc1c2cncs2 271570a_100009892668_100011934649 [0,1,0,0,0,0|2,1,0]=4 419 B12R2.10 Cn1cncc1c2cncs2 271570a_100010231675_100009814087 [0,1,0,0,0,0|2,1,0]=4 420 B12R2.10 Cn1cncc1c2nc[nH]n2 271570a_100009892668_100000761765 [0,1,0,0,0,0|2,0,1]=4 421 B12R2.10 Cn1cncc1c2ncc[nH]2 271570a_100009892668_100025796157 [0,1,0,0,0,0|3,0,0]=4 422 B12R2.10 Cn1cncc1c2ncc[nH]2 271570a_100016988920_100009814087 [0,1,0,0,0,0|3,0,0]=4 423 B12R2.10 Cn1cncc1c2ncco2 271570a_100009892668_100011787736 [0,1,0,0,0,0|2,0,0]=3 424 B12R2.10 Cn1cncc1c2nccs2 271570a_100009892668_100000211983 [0,1,0,0,0,0|2,1,0]=4 425 B12R2.10 Cn1cncc1c2ncns2 271570a_100009892668_100000693119 [0,1,0,0,0,0|3,0,0]=4 426 B12R2.10 Cn1cncc1c2nncs2 271570a_100009892668_100000739804 [0,1,0,0,0,0|1,1,0]=3 427 B12R2.10 Cn1nccc1c2cc[nH]n2 271570a_100000062414_100000688441 [0,1,0,0,0,0|2,0,1]=4 428 B12R2.10 Cn1nccc1c2cc[nH]n2 271570a_100000707534_100000062575 [0,1,0,0,0,0|2,0,1]=4 429 B12R2.10 Cn1nccc1c2ccco2 271570a_100000707534_100009814098 [0,1,0,0,0,0|2,0,1]=4 430 B12R2.10 Cn1nccc1c2ccco2 271570a_100000750936_100000688441 [0,1,0,0,0,0|2,0,1]=4 431 B12R2.10 Cn1nccc1c2cccs2 271570a_100000707534_100011215356 [0,1,0,0,0,0|2,0,1]=4 432 B12R2.10 Cn1nccc1c2cccs2 271570a_100000742291_100000688441 [0,1,0,0,0,0|2,0,1]=4 433 B12R2.10 Cn1nccc1c2ccsn2 271570a_100000707534_100009818082 [0,1,0,0,0,0|3,0,0]=4 434 B12R2.10 Cn1nccc1c2cnco2 271570a_100000707534_100020591547 [0,1,0,0,0,0|2,0,0]=3 435 B12R2.10 Cn1nccc1c2cncs2 271570a_100000707534_100011934649 [0,1,0,0,0,0|2,1,0]=4 436 B12R2.10 Cn1nccc1c2cncs2 271570a_100010231675_100000688441 [0,1,0,0,0,0|2,1,0]=4 437 B12R2.10 Cn1nccc1c2nc[nH]n2 271570a_100000707534_100000761765 [0,1,0,0,0,0|2,0,1]=4 438 B12R2.10 Cn1nccc1c2ncc[nH]2 271570a_100000707534_100025796157 [0,1,0,0,0,0|2,0,1]=4 439 B12R2.10 Cn1nccc1c2ncc[nH]2 271570a_100016988920_100000688441 [0,1,0,0,0,0|2,0,1]=4 440 B12R2.10 Cn1nccc1c2ncco2 271570a_100000707534_100011787736 [0,1,0,0,0,0|2,0,0]=3 441 B12R2.10 Cn1nccc1c2nccs2 271570a_100000707534_100000211983 [0,1,0,0,0,0|2,1,0]=4 442 B12R2.10 Cn1nccc1c2ncns2 271570a_100000707534_100000693119 [0,1,0,0,0,0|3,0,0]=4 443 B12R2.10 Cn1nccc1c2nncs2 271570a_100000707534_100000739804 [0,1,0,0,0,0|1,1,0]=3 444 B12R2.10 Cn1ncnc1c2ccco2 271570a_100000750936_100000732653 [0,1,0,0,0,0|2,0,1]=4 445 B12R2.10 Cn1ncnc1c2cccs2 271570a_100000742291_100000732653 [0,1,0,0,0,0|2,0,1]=4 446 B12R2.10 Cn1ncnc1c2ncc[nH]2 271570a_100016988920_100000732653 [0,1,0,0,0,0|2,0,1]=4 447 B12R2.10 Nc1c[nH]nc1c2ccco2 271570a_100000750936_100010894806 [0,1,0,0,0,0|2,0,1]=4 448 B12R2.10 Nc1c[nH]nc1c2cccs2 271570a_100000742291_100010894806 [0,1,0,0,0,0|2,0,1]=4 449 B12R2.10 Nc1c[nH]nc1c2ncc[nH]2 271570a_100016988920_100010894806 [0,1,0,0,0,0|2,0,1]=4 450 B12R2.10 Oc1cn[nH]c1c2cccs2 271570a_203496583355_100009816245 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.21 C=CCNCc1cnco1 270004a_100020586998_100000064291 [0,0,1,0,0,0|1,0,2]=4 452 B10R1.21 C=CCNCc1ncco1 2230a_100016994969_100000210623 [0,0,1,0,0,0|1,0,2]=4 453 B10R1.21 C=CCNCc1ncco1 2230a_100020586998_103436540062 [0,0,1,0,0,0|1,0,2]=4 454 B10R1.21 C=CCNCc1ncco1 270004a_100020586998_100000064290 [0,0,1,0,0,0|1,0,2]=4 455 B10R1.21 C=CCNCc1nnc[nH]1 2230a_200015183720_100000210623 [0,0,1,0,0,0|1,0,2]=4 456 B10R1.21 CCNN=Cc1ccc[nH]1 4a_100000756455_100000211237 [0,0,1,0,0,0|1,0,2]=4 457 B12R2.2 c1c[nH]c(n1)c2cnnnc2 271570a_100016988920_100009846058 [0,0,0,0,0,1|3,0,0]=4 458 B12R2.2 c1cc(ccn1)c2cc[nH]n2 271570a_100000062414_100000035832 [0,0,0,0,0,1|2,0,1]=4 459 B12R2.2 c1cc(ccn1)c2cc[nH]n2 271570a_100000752145_100000062575 [0,0,0,0,0,1|2,0,1]=4 460 B12R2.2 c1cc(ccn1)c2ccsn2 271570a_100000752145_100009818082 [0,0,0,0,0,1|3,0,0]=4 461 B12R2.2 c1cc(ccn1)c2cnco2 271570a_100000752145_100020591547 [0,0,0,0,0,1|2,0,0]=3 462 B12R2.2 c1cc(ccn1)c2cncs2 271570a_100000752145_100011934649 [0,0,0,0,0,1|2,1,0]=4 463 B12R2.2 c1cc(ccn1)c2cncs2 271570a_100010231675_100000035832 [0,0,0,0,0,1|2,1,0]=4 464 B12R2.2 c1cc(ccn1)c2nc[nH]n2 271570a_100000752145_100000761765 [0,0,0,0,0,1|2,0,1]=4 465 B12R2.2 c1cc(ccn1)c2ncc[nH]2 271570a_100000752145_100025796157 [0,0,0,0,0,1|3,0,0]=4 466 B12R2.2 c1cc(ccn1)c2ncc[nH]2 271570a_100016988920_100000035832 [0,0,0,0,0,1|3,0,0]=4 467 B12R2.2 c1cc(ccn1)c2ncco2 271570a_100000752145_100011787736 [0,0,0,0,0,1|2,0,0]=3 468 B12R2.2 c1cc(ccn1)c2nccs2 271570a_100000752145_100000211983 [0,0,0,0,0,1|2,1,0]=4 469 B12R2.2 c1cc(ccn1)c2ncns2 271570a_100000752145_100000693119 [0,0,0,0,0,1|3,0,0]=4 470 B12R2.2 c1cc(ccn1)c2nncs2 271570a_100000752145_100000739804 [0,0,0,0,0,1|1,1,0]=3 471 B12R2.2 c1cc(cnn1)c2cc[nH]c2 271570a_100000102155_100000732662 [0,0,0,0,0,1|3,0,0]=4 472 B12R2.2 c1cc(cnn1)c2cc[nH]n2 271570a_100000062414_100000732662 [0,0,0,0,0,1|2,0,1]=4 473 B12R2.2 c1cc(cnn1)c2ccoc2 271570a_100011218838_100000732662 [0,0,0,0,0,1|3,0,0]=4 474 B12R2.2 c1cc(cnn1)c2ccsc2 271570a_100011934443_100000732662 [0,0,0,0,0,1|3,0,0]=4 475 B12R2.2 c1cc(cnn1)c2cncs2 271570a_100010231675_100000732662 [0,0,0,0,0,1|3,0,0]=4 476 B12R2.2 c1cc(cnn1)c2ncc[nH]2 271570a_100016988920_100000732662 [0,0,0,0,0,1|2,0,0]=3 477 B12R2.2 c1cc(ncn1)c2cc[nH]c2 271570a_100000102155_100000703185 [0,0,0,0,0,1|3,0,0]=4 478 B12R2.2 c1cc(ncn1)c2cc[nH]n2 271570a_100000062414_100000703185 [0,0,0,0,0,1|1,0,2]=4 479 B12R2.2 c1cc(ncn1)c2ccoc2 271570a_100011218838_100000703185 [0,0,0,0,0,1|3,0,0]=4 480 B12R2.2 c1cc(ncn1)c2ccsc2 271570a_100011934443_100000703185 [0,0,0,0,0,1|3,0,0]=4 481 B12R2.2 c1cc(ncn1)c2cncs2 271570a_100010231675_100000703185 [0,0,0,0,0,1|1,1,1]=4 482 B12R2.2 c1cc(ncn1)c2ncc[nH]2 271570a_100016988920_100000703185 [0,0,0,0,0,1|2,0,0]=3 483 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,0,0,0,0,1|2,0,1]=4 484 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,0,0,0,0,1|2,0,1]=4 485 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,0,0,0,0,1|3,0,0]=4 486 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,0,0,0,0,1|3,0,0]=4 487 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,0,0,0,0,1|3,0,0]=4 488 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,0,0,0,0,1|2,0,0]=3 489 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,0,0,0,0,1|2,1,0]=4 490 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,0,0,0,0,1|2,1,0]=4 491 B12R2.2 c1ccc(cc1)c2nc[nH]n2 271570a_100011218836_100000761765 [0,0,0,0,0,1|2,0,1]=4 492 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100011218836_100025796157 [0,0,0,0,0,1|3,0,0]=4 493 B12R2.2 c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000210277 [0,0,0,0,0,1|3,0,0]=4 494 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,0,0,0,0,1|2,0,0]=3 495 B12R2.2 c1ccc(cc1)c2nccs2 271570a_100011218836_100000211983 [0,0,0,0,0,1|2,1,0]=4 496 B12R2.2 c1ccc(cc1)c2ncns2 271570a_100011218836_100000693119 [0,0,0,0,0,1|3,0,0]=4 497 B12R2.2 c1ccc(cc1)c2nncs2 271570a_100011218836_100000739804 [0,0,0,0,0,1|1,1,0]=3 498 B12R2.2 c1ccc(nc1)c2cc[nH]n2 271570a_100000062414_100011216584 [0,0,0,0,0,1|1,0,2]=4 499 B12R2.2 c1ccc(nc1)c2cc[nH]n2 271570a_100011264011_100000062575 [0,0,0,0,0,1|1,0,2]=4 500 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100000750936_100011216584 [0,0,0,0,0,1|2,0,1]=4 501 B12R2.2 c1ccc(nc1)c2ccco2 271570a_100011264011_100009814098 [0,0,0,0,0,1|2,0,1]=4 502 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100000742291_100011216584 [0,0,0,0,0,1|3,0,0]=4 503 B12R2.2 c1ccc(nc1)c2cccs2 271570a_100011264011_100011215356 [0,0,0,0,0,1|3,0,0]=4 504 B12R2.2 c1ccc(nc1)c2ccsn2 271570a_100011264011_100009818082 [0,0,0,0,0,1|2,0,1]=4 505 B12R2.2 c1ccc(nc1)c2cnco2 271570a_100011264011_100020591547 [0,0,0,0,0,1|1,0,1]=3 506 B12R2.2 c1ccc(nc1)c2cncs2 271570a_100010231675_100011216584 [0,0,0,0,0,1|1,1,1]=4 507 B12R2.2 c1ccc(nc1)c2cncs2 271570a_100011264011_100011934649 [0,0,0,0,0,1|1,1,1]=4 508 B12R2.2 c1ccc(nc1)c2nc[nH]n2 271570a_100011264011_100000761765 [0,0,0,0,0,1|1,0,2]=4 509 B12R2.2 c1ccc(nc1)c2ncc[nH]2 271570a_100011264011_100025796157 [0,0,0,0,0,1|2,0,1]=4 510 B12R2.2 c1ccc(nc1)c2ncc[nH]2 271570a_100016988920_100011216584 [0,0,0,0,0,1|2,0,1]=4 511 B12R2.2 c1ccc(nc1)c2ncco2 271570a_100011264011_100011787736 [0,0,0,0,0,1|1,0,1]=3 512 B12R2.2 c1ccc(nc1)c2nccs2 271570a_100011264011_100000211983 [0,0,0,0,0,1|1,1,1]=4 513 B12R2.2 c1ccc(nc1)c2ncns2 271570a_100011264011_100000693119 [0,0,0,0,0,1|2,0,1]=4 514 B12R2.2 c1ccc(nc1)c2nncs2 271570a_100011264011_100000739804 [0,0,0,0,0,1|0,1,1]=3 515 B12R2.2 c1cnc(cn1)c2cc[nH]n2 271570a_100000062414_100000758340 [0,0,0,0,0,1|1,0,2]=4 516 B12R2.2 c1cnc(cn1)c2cc[nH]n2 271570a_100011962566_100000062575 [0,0,0,0,0,1|1,0,2]=4 517 B12R2.2 c1cnc(cn1)c2ccsn2 271570a_100011962566_100009818082 [0,0,0,0,0,1|2,0,1]=4 518 B12R2.2 c1cnc(cn1)c2cnco2 271570a_100011962566_100020591547 [0,0,0,0,0,1|1,0,1]=3 519 B12R2.2 c1cnc(cn1)c2cncs2 271570a_100010231675_100000758340 [0,0,0,0,0,1|1,1,1]=4 520 B12R2.2 c1cnc(cn1)c2cncs2 271570a_100011962566_100011934649 [0,0,0,0,0,1|1,1,1]=4 521 B12R2.2 c1cnc(cn1)c2nc[nH]n2 271570a_100011962566_100000761765 [0,0,0,0,0,1|1,0,2]=4 522 B12R2.2 c1cnc(cn1)c2ncc[nH]2 271570a_100011962566_100025796157 [0,0,0,0,0,1|2,0,1]=4 523 B12R2.2 c1cnc(cn1)c2ncc[nH]2 271570a_100016988920_100000758340 [0,0,0,0,0,1|2,0,1]=4 524 B12R2.2 c1cnc(cn1)c2ncco2 271570a_100011962566_100011787736 [0,0,0,0,0,1|1,0,1]=3 525 B12R2.2 c1cnc(cn1)c2nccs2 271570a_100011962566_100000211983 [0,0,0,0,0,1|1,1,1]=4 526 B12R2.2 c1cnc(cn1)c2ncns2 271570a_100011962566_100000693119 [0,0,0,0,0,1|2,0,1]=4 527 B12R2.2 c1cnc(cn1)c2nncs2 271570a_100011962566_100000739804 [0,0,0,0,0,1|0,1,1]=3 528 B12R2.2 c1cnc(nc1)c2cc[nH]n2 271570a_100000062414_100000211032 [0,0,0,0,0,1|1,0,2]=4 529 B12R2.2 c1cnc(nc1)c2ccco2 271570a_100000750936_100000211032 [0,0,0,0,0,1|2,0,1]=4 530 B12R2.2 c1cnc(nc1)c2cccs2 271570a_100000742291_100000211032 [0,0,0,0,0,1|3,0,0]=4 531 B12R2.2 c1cnc(nc1)c2cncs2 271570a_100010231675_100000211032 [0,0,0,0,0,1|1,1,1]=4 532 B12R2.2 c1cnc(nc1)c2ncc[nH]2 271570a_100016988920_100000211032 [0,0,0,0,0,1|2,0,1]=4 533 B12R2.2 c1cncc(c1)c2cc[nH]n2 271570a_100000062414_100000752921 [0,0,0,0,0,1|1,0,2]=4 534 B12R2.2 c1cncc(c1)c2cc[nH]n2 271570a_100000757648_100000062575 [0,0,0,0,0,1|1,0,2]=4 535 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000750936_100000752921 [0,0,0,0,0,1|2,0,1]=4 536 B12R2.2 c1cncc(c1)c2ccco2 271570a_100000757648_100009814098 [0,0,0,0,0,1|2,0,1]=4 537 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000742291_100000752921 [0,0,0,0,0,1|3,0,0]=4 538 B12R2.2 c1cncc(c1)c2cccs2 271570a_100000757648_100011215356 [0,0,0,0,0,1|3,0,0]=4 539 B12R2.2 c1cncc(c1)c2ccsn2 271570a_100000757648_100009818082 [0,0,0,0,0,1|2,0,1]=4 540 B12R2.2 c1cncc(c1)c2cnco2 271570a_100000757648_100020591547 [0,0,0,0,0,1|1,0,1]=3 541 B12R2.2 c1cncc(c1)c2cncs2 271570a_100000757648_100011934649 [0,0,0,0,0,1|1,1,1]=4 542 B12R2.2 c1cncc(c1)c2cncs2 271570a_100010231675_100000752921 [0,0,0,0,0,1|1,1,1]=4 543 B12R2.2 c1cncc(c1)c2nc[nH]n2 271570a_100000757648_100000761765 [0,0,0,0,0,1|1,0,2]=4 544 B12R2.2 c1cncc(c1)c2ncc[nH]2 271570a_100000757648_100025796157 [0,0,0,0,0,1|2,0,1]=4 545 B12R2.2 c1cncc(c1)c2ncc[nH]2 271570a_100016988920_100000752921 [0,0,0,0,0,1|2,0,1]=4 546 B12R2.2 c1cncc(c1)c2ncco2 271570a_100000757648_100011787736 [0,0,0,0,0,1|1,0,1]=3 547 B12R2.2 c1cncc(c1)c2nccs2 271570a_100000757648_100000211983 [0,0,0,0,0,1|1,1,1]=4 548 B12R2.2 c1cncc(c1)c2ncns2 271570a_100000757648_100000693119 [0,0,0,0,0,1|2,0,1]=4 549 B12R2.2 c1cncc(c1)c2nncs2 271570a_100000757648_100000739804 [0,0,0,0,0,1|0,1,1]=3 550 B12R2.2 c1cnnc(c1)c2cc[nH]c2 271570a_100000102155_100016991348 [0,0,0,0,0,1|3,0,0]=4 551 B12R2.2 c1cnnc(c1)c2cc[nH]n2 271570a_100000062414_100016991348 [0,0,0,0,0,1|1,0,2]=4 552 B12R2.2 c1cnnc(c1)c2ccco2 271570a_100000750936_100016991348 [0,0,0,0,0,1|2,0,0]=3 553 B12R2.2 c1cnnc(c1)c2cccs2 271570a_100000742291_100016991348 [0,0,0,0,0,1|2,0,0]=3 554 B12R2.2 c1cnnc(c1)c2ccoc2 271570a_100011218838_100016991348 [0,0,0,0,0,1|3,0,0]=4 555 B12R2.2 c1cnnc(c1)c2ccsc2 271570a_100011934443_100016991348 [0,0,0,0,0,1|3,0,0]=4 556 B12R2.2 c1cnnc(c1)c2cncs2 271570a_100010231675_100016991348 [0,0,0,0,0,1|1,1,1]=4 557 B12R2.2 c1cnnc(c1)c2ncc[nH]2 271570a_100016988920_100016991348 [0,0,0,0,0,1|2,0,0]=3 558 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000750936_100000035832 [0,0,0,0,0,1|3,0,0]=4 559 B12R2.2 c1coc(c1)c2ccncc2 271570a_100000752145_100009814098 [0,0,0,0,0,1|3,0,0]=4 560 B12R2.2 c1coc(c1)c2ccncn2 271570a_100000750936_100000703185 [0,0,0,0,0,1|2,0,0]=3 561 B12R2.2 c1coc(c1)c2ccnnc2 271570a_100000750936_100000732662 [0,0,0,0,0,1|2,0,0]=3 562 B12R2.2 c1coc(c1)c2cnccn2 271570a_100000750936_100000758340 [0,0,0,0,0,1|2,0,1]=4 563 B12R2.2 c1coc(c1)c2cnccn2 271570a_100011962566_100009814098 [0,0,0,0,0,1|2,0,1]=4 564 B12R2.2 c1coc(c1)c2cncnc2 271570a_100000707473_100009814098 [0,0,0,0,0,1|3,0,0]=4 565 B12R2.2 c1coc(c1)c2cncnc2 271570a_100000750936_100011206942 [0,0,0,0,0,1|3,0,0]=4 566 B12R2.2 c1coc(c1)c2cnnnc2 271570a_100000750936_100009846058 [0,0,0,0,0,1|3,0,0]=4 567 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000742291_100000035832 [0,0,0,0,0,1|3,0,0]=4 568 B12R2.2 c1csc(c1)c2ccncc2 271570a_100000752145_100011215356 [0,0,0,0,0,1|3,0,0]=4 569 B12R2.2 c1csc(c1)c2ccncn2 271570a_100000742291_100000703185 [0,0,0,0,0,1|2,0,0]=3 570 B12R2.2 c1csc(c1)c2ccnnc2 271570a_100000742291_100000732662 [0,0,0,0,0,1|2,0,0]=3 571 B12R2.2 c1csc(c1)c2cnccn2 271570a_100000742291_100000758340 [0,0,0,0,0,1|3,0,0]=4 572 B12R2.2 c1csc(c1)c2cnccn2 271570a_100011962566_100011215356 [0,0,0,0,0,1|3,0,0]=4 573 B12R2.2 c1csc(c1)c2cncnc2 271570a_100000707473_100011215356 [0,0,0,0,0,1|3,0,0]=4 574 B12R2.2 c1csc(c1)c2cncnc2 271570a_100000742291_100011206942 [0,0,0,0,0,1|3,0,0]=4 575 B12R2.2 c1csc(c1)c2cnnnc2 271570a_100000742291_100009846058 [0,0,0,0,0,1|3,0,0]=4 576 B12R2.2 c1ncc(cn1)c2cnco2 271570a_100000707473_100020591547 [0,0,0,0,0,1|2,0,1]=4 577 B12R2.2 c1ncc(cn1)c2ncc[nH]2 271570a_100000707473_100025796157 [0,0,0,0,0,1|3,0,0]=4 578 B12R2.2 c1ncc(cn1)c2ncc[nH]2 271570a_100016988920_100011206942 [0,0,0,0,0,1|3,0,0]=4 579 B12R2.2 c1ncc(cn1)c2ncco2 271570a_100000707473_100011787736 [0,0,0,0,0,1|2,0,1]=4 580 B12R2.2 c1ncc(cn1)c2nncs2 271570a_100000707473_100000739804 [0,0,0,0,0,1|1,1,1]=4 581 B12R2.98 c1c[nH]c(n1)Sc2c[nH]nn2 62a_100009819707_100025796157 [0,0,0,0,0,1|3,0,0]=4 582 B12R2.98 c1c[nH]c(n1)Sc2c[nH]nn2 62a_100025796157_100009819707 [0,0,0,0,0,1|3,0,0]=4 583 B12R2.98 c1c[nH]c(n1)Sc2cc[nH]n2 62a_100000062575_100025796157 [0,0,0,0,0,1|2,0,1]=4 584 B12R2.98 c1c[nH]c(n1)Sc2cc[nH]n2 62a_100025796157_100000062575 [0,0,0,0,0,1|2,0,1]=4 585 B12R2.98 c1c[nH]c(n1)Sc2ccon2 62a_100009818083_100025796157 [0,0,0,0,0,1|3,0,0]=4 586 B12R2.98 c1c[nH]c(n1)Sc2ccon2 62a_100025796157_100009818083 [0,0,0,0,0,1|3,0,0]=4 587 B12R2.98 c1c[nH]c(n1)Sc2ccsn2 62a_100009818082_100025796157 [0,0,0,0,0,1|3,0,0]=4 588 B12R2.98 c1c[nH]c(n1)Sc2ccsn2 62a_100025796157_100009818082 [0,0,0,0,0,1|3,0,0]=4 589 B12R2.98 c1c[nH]c(n1)Sc2cnco2 62a_100020591547_100025796157 [0,0,0,0,0,1|2,0,0]=3 590 B12R2.98 c1c[nH]c(n1)Sc2cnco2 62a_100025796157_100020591547 [0,0,0,0,0,1|2,0,0]=3 591 B12R2.98 c1c[nH]c(n1)Sc2cncs2 62a_100011934649_100025796157 [0,0,0,0,0,1|2,1,0]=4 592 B12R2.98 c1c[nH]c(n1)Sc2cncs2 62a_100025796157_100011934649 [0,0,0,0,0,1|2,1,0]=4 593 B12R2.98 c1c[nH]c(n1)Sc2nc[nH]n2 62a_100000761765_100025796157 [0,0,0,0,0,1|2,0,1]=4 594 B12R2.98 c1c[nH]c(n1)Sc2nc[nH]n2 62a_100025796157_100000761765 [0,0,0,0,0,1|2,0,1]=4 595 B12R2.98 c1c[nH]c(n1)Sc2ncc[nH]2 62a_100025796157_100025796157 [0,0,0,0,0,1|3,0,0]=4 596 B12R2.98 c1c[nH]c(n1)Sc2ncco2 62a_100011787736_100025796157 [0,0,0,0,0,1|2,0,0]=3 597 B12R2.98 c1c[nH]c(n1)Sc2ncco2 62a_100025796157_100011787736 [0,0,0,0,0,1|2,0,0]=3 598 B12R2.98 c1c[nH]c(n1)Sc2nccs2 62a_100000211983_100025796157 [0,0,0,0,0,1|2,1,0]=4 599 B12R2.98 c1c[nH]c(n1)Sc2nccs2 62a_100025796157_100000211983 [0,0,0,0,0,1|2,1,0]=4 600 B12R2.98 c1c[nH]c(n1)Sc2ncns2 62a_100000693119_100025796157 [0,0,0,0,0,1|3,0,0]=4 601 B12R2.98 c1c[nH]c(n1)Sc2ncns2 62a_100025796157_100000693119 [0,0,0,0,0,1|3,0,0]=4 602 B12R2.98 c1c[nH]c(n1)Sc2nncs2 62a_100000739804_100025796157 [0,0,0,0,0,1|1,1,0]=3 603 B12R2.98 c1c[nH]c(n1)Sc2nncs2 62a_100025796157_100000739804 [0,0,0,0,0,1|1,1,0]=3 604 B12R2.98 c1cc(co1)Sc2cnco2 62a_100011215275_100020591547 [0,0,0,0,0,1|3,0,0]=4 605 B12R2.98 c1cc(co1)Sc2cnco2 62a_100020591547_100011215275 [0,0,0,0,0,1|3,0,0]=4 606 B12R2.98 c1cc(co1)Sc2nncs2 62a_100000739804_100011215275 [0,0,0,0,0,1|2,1,0]=4 607 B12R2.98 c1cc(co1)Sc2nncs2 62a_100011215275_100000739804 [0,0,0,0,0,1|2,1,0]=4 608 B12R2.98 c1cc(cs1)Sc2nncs2 62a_100000738268_100000739804 [0,0,0,0,0,1|2,1,0]=4 609 B12R2.98 c1cc(cs1)Sc2nncs2 62a_100000739804_100000738268 [0,0,0,0,0,1|2,1,0]=4 610 B12R2.98 c1cc(n[nH]1)Sc2cnco2 62a_100000062575_100020591547 [0,0,0,0,0,1|2,0,1]=4 611 B12R2.98 c1cc(n[nH]1)Sc2cnco2 62a_100020591547_100000062575 [0,0,0,0,0,1|2,0,1]=4 612 B12R2.98 c1cc(n[nH]1)Sc2nncs2 62a_100000062575_100000739804 [0,0,0,0,0,1|1,1,1]=4 613 B12R2.98 c1cc(n[nH]1)Sc2nncs2 62a_100000739804_100000062575 [0,0,0,0,0,1|1,1,1]=4 614 B12R2.98 c1cc(no1)Sc2cnco2 62a_100009818083_100020591547 [0,0,0,0,0,1|2,0,1]=4 615 B12R2.98 c1cc(no1)Sc2cnco2 62a_100020591547_100009818083 [0,0,0,0,0,1|2,0,1]=4 616 B12R2.98 c1cc(no1)Sc2nncs2 62a_100000739804_100009818083 [0,0,0,0,0,1|1,1,1]=4 617 B12R2.98 c1cc(no1)Sc2nncs2 62a_100009818083_100000739804 [0,0,0,0,0,1|1,1,1]=4 618 B12R2.98 c1cc(ns1)Sc2nncs2 62a_100000739804_100009818082 [0,0,0,0,0,1|1,1,1]=4 619 B12R2.98 c1cc(ns1)Sc2nncs2 62a_100009818082_100000739804 [0,0,0,0,0,1|1,1,1]=4 620 B12R2.98 c1coc(c1)Sc2c[nH]nn2 62a_100009814098_100009819707 [0,0,0,0,0,1|3,0,0]=4 621 B12R2.98 c1coc(c1)Sc2c[nH]nn2 62a_100009819707_100009814098 [0,0,0,0,0,1|3,0,0]=4 622 B12R2.98 c1coc(c1)Sc2cc[nH]n2 62a_100000062575_100009814098 [0,0,0,0,0,1|2,0,1]=4 623 B12R2.98 c1coc(c1)Sc2cc[nH]n2 62a_100009814098_100000062575 [0,0,0,0,0,1|2,0,1]=4 624 B12R2.98 c1coc(c1)Sc2ccco2 62a_100009814098_100009814098 [0,0,0,0,0,1|3,0,0]=4 625 B12R2.98 c1coc(c1)Sc2cccs2 62a_100009814098_100011215356 [0,0,0,0,0,1|3,0,0]=4 626 B12R2.98 c1coc(c1)Sc2cccs2 62a_100011215356_100009814098 [0,0,0,0,0,1|3,0,0]=4 627 B12R2.98 c1coc(c1)Sc2ccon2 62a_100009814098_100009818083 [0,0,0,0,0,1|3,0,0]=4 628 B12R2.98 c1coc(c1)Sc2ccon2 62a_100009818083_100009814098 [0,0,0,0,0,1|3,0,0]=4 629 B12R2.98 c1coc(c1)Sc2ccsn2 62a_100009814098_100009818082 [0,0,0,0,0,1|3,0,0]=4 630 B12R2.98 c1coc(c1)Sc2ccsn2 62a_100009818082_100009814098 [0,0,0,0,0,1|3,0,0]=4 631 B12R2.98 c1coc(c1)Sc2cnco2 62a_100009814098_100020591547 [0,0,0,0,0,1|2,0,0]=3 632 B12R2.98 c1coc(c1)Sc2cnco2 62a_100020591547_100009814098 [0,0,0,0,0,1|2,0,0]=3 633 B12R2.98 c1coc(c1)Sc2cncs2 62a_100009814098_100011934649 [0,0,0,0,0,1|2,1,0]=4 634 B12R2.98 c1coc(c1)Sc2cncs2 62a_100011934649_100009814098 [0,0,0,0,0,1|2,1,0]=4 635 B12R2.98 c1coc(c1)Sc2nc[nH]n2 62a_100000761765_100009814098 [0,0,0,0,0,1|2,0,1]=4 636 B12R2.98 c1coc(c1)Sc2nc[nH]n2 62a_100009814098_100000761765 [0,0,0,0,0,1|2,0,1]=4 637 B12R2.98 c1coc(c1)Sc2ncc[nH]2 62a_100009814098_100025796157 [0,0,0,0,0,1|3,0,0]=4 638 B12R2.98 c1coc(c1)Sc2ncc[nH]2 62a_100025796157_100009814098 [0,0,0,0,0,1|3,0,0]=4 639 B12R2.98 c1coc(c1)Sc2ncco2 62a_100009814098_100011787736 [0,0,0,0,0,1|2,0,0]=3 640 B12R2.98 c1coc(c1)Sc2ncco2 62a_100011787736_100009814098 [0,0,0,0,0,1|2,0,0]=3 641 B12R2.98 c1coc(c1)Sc2nccs2 62a_100000211983_100009814098 [0,0,0,0,0,1|2,1,0]=4 642 B12R2.98 c1coc(c1)Sc2nccs2 62a_100009814098_100000211983 [0,0,0,0,0,1|2,1,0]=4 643 B12R2.98 c1coc(c1)Sc2ncns2 62a_100000693119_100009814098 [0,0,0,0,0,1|3,0,0]=4 644 B12R2.98 c1coc(c1)Sc2ncns2 62a_100009814098_100000693119 [0,0,0,0,0,1|3,0,0]=4 645 B12R2.98 c1coc(c1)Sc2nncs2 62a_100000739804_100009814098 [0,0,0,0,0,1|1,1,0]=3 646 B12R2.98 c1coc(c1)Sc2nncs2 62a_100009814098_100000739804 [0,0,0,0,0,1|1,1,0]=3 647 B12R2.98 c1coc(n1)Sc2c[nH]cn2 62a_100000756875_100011787736 [0,0,0,0,0,1|2,0,1]=4 648 B12R2.98 c1coc(n1)Sc2c[nH]cn2 62a_100011787736_100000756875 [0,0,0,0,0,1|2,0,1]=4 649 B12R2.98 c1coc(n1)Sc2cc[nH]n2 62a_100000062575_100011787736 [0,0,0,0,0,1|2,0,1]=4 650 B12R2.98 c1coc(n1)Sc2cc[nH]n2 62a_100011787736_100000062575 [0,0,0,0,0,1|2,0,1]=4 651 B12R2.98 c1coc(n1)Sc2ccoc2 62a_100011215275_100011787736 [0,0,0,0,0,1|3,0,0]=4 652 B12R2.98 c1coc(n1)Sc2ccoc2 62a_100011787736_100011215275 [0,0,0,0,0,1|3,0,0]=4 653 B12R2.98 c1coc(n1)Sc2ccon2 62a_100009818083_100011787736 [0,0,0,0,0,1|2,0,1]=4 654 B12R2.98 c1coc(n1)Sc2ccon2 62a_100011787736_100009818083 [0,0,0,0,0,1|2,0,1]=4 655 B12R2.98 c1coc(n1)Sc2ccsc2 62a_100000738268_100011787736 [0,0,0,0,0,1|3,0,0]=4 656 B12R2.98 c1coc(n1)Sc2ccsc2 62a_100011787736_100000738268 [0,0,0,0,0,1|3,0,0]=4 657 B12R2.98 c1coc(n1)Sc2ccsn2 62a_100009818082_100011787736 [0,0,0,0,0,1|2,0,1]=4 658 B12R2.98 c1coc(n1)Sc2ccsn2 62a_100011787736_100009818082 [0,0,0,0,0,1|2,0,1]=4 659 B12R2.98 c1coc(n1)Sc2cnco2 62a_100011787736_100020591547 [0,0,0,0,0,1|2,0,1]=4 660 B12R2.98 c1coc(n1)Sc2cnco2 62a_100020591547_100011787736 [0,0,0,0,0,1|2,0,1]=4 661 B12R2.98 c1coc(n1)Sc2cncs2 62a_100011787736_100011934649 [0,0,0,0,0,1|3,0,0]=4 662 B12R2.98 c1coc(n1)Sc2cncs2 62a_100011934649_100011787736 [0,0,0,0,0,1|3,0,0]=4 663 B12R2.98 c1coc(n1)Sc2cscn2 62a_100000751502_100011787736 [0,0,0,0,0,1|2,0,1]=4 664 B12R2.98 c1coc(n1)Sc2cscn2 62a_100011787736_100000751502 [0,0,0,0,0,1|2,0,1]=4 665 B12R2.98 c1coc(n1)Sc2ncco2 62a_100011787736_100011787736 [0,0,0,0,0,1|2,0,1]=4 666 B12R2.98 c1coc(n1)Sc2nccs2 62a_100000211983_100011787736 [0,0,0,0,0,1|2,0,1]=4 667 B12R2.98 c1coc(n1)Sc2nccs2 62a_100011787736_100000211983 [0,0,0,0,0,1|2,0,1]=4 668 B12R2.98 c1coc(n1)Sc2nncs2 62a_100000739804_100011787736 [0,0,0,0,0,1|1,1,1]=4 669 B12R2.98 c1coc(n1)Sc2nncs2 62a_100011787736_100000739804 [0,0,0,0,0,1|1,1,1]=4 670 B12R2.98 c1csc(c1)Sc2c[nH]nn2 62a_100009819707_100011215356 [0,0,0,0,0,1|3,0,0]=4 671 B12R2.98 c1csc(c1)Sc2c[nH]nn2 62a_100011215356_100009819707 [0,0,0,0,0,1|3,0,0]=4 672 B12R2.98 c1csc(c1)Sc2cc[nH]n2 62a_100000062575_100011215356 [0,0,0,0,0,1|2,0,1]=4 673 B12R2.98 c1csc(c1)Sc2cc[nH]n2 62a_100011215356_100000062575 [0,0,0,0,0,1|2,0,1]=4 674 B12R2.98 c1csc(c1)Sc2ccon2 62a_100009818083_100011215356 [0,0,0,0,0,1|3,0,0]=4 675 B12R2.98 c1csc(c1)Sc2ccon2 62a_100011215356_100009818083 [0,0,0,0,0,1|3,0,0]=4 676 B12R2.98 c1csc(c1)Sc2ccsn2 62a_100009818082_100011215356 [0,0,0,0,0,1|3,0,0]=4 677 B12R2.98 c1csc(c1)Sc2ccsn2 62a_100011215356_100009818082 [0,0,0,0,0,1|3,0,0]=4 678 B12R2.98 c1csc(c1)Sc2cnco2 62a_100011215356_100020591547 [0,0,0,0,0,1|2,0,0]=3 679 B12R2.98 c1csc(c1)Sc2cnco2 62a_100020591547_100011215356 [0,0,0,0,0,1|2,0,0]=3 680 B12R2.98 c1csc(c1)Sc2cncs2 62a_100011215356_100011934649 [0,0,0,0,0,1|2,1,0]=4 681 B12R2.98 c1csc(c1)Sc2cncs2 62a_100011934649_100011215356 [0,0,0,0,0,1|2,1,0]=4 682 B12R2.98 c1csc(c1)Sc2nc[nH]n2 62a_100000761765_100011215356 [0,0,0,0,0,1|2,0,1]=4 683 B12R2.98 c1csc(c1)Sc2nc[nH]n2 62a_100011215356_100000761765 [0,0,0,0,0,1|2,0,1]=4 684 B12R2.98 c1csc(c1)Sc2ncc[nH]2 62a_100011215356_100025796157 [0,0,0,0,0,1|3,0,0]=4 685 B12R2.98 c1csc(c1)Sc2ncc[nH]2 62a_100025796157_100011215356 [0,0,0,0,0,1|3,0,0]=4 686 B12R2.98 c1csc(c1)Sc2ncco2 62a_100011215356_100011787736 [0,0,0,0,0,1|2,0,0]=3 687 B12R2.98 c1csc(c1)Sc2ncco2 62a_100011787736_100011215356 [0,0,0,0,0,1|2,0,0]=3 688 B12R2.98 c1csc(c1)Sc2nccs2 62a_100000211983_100011215356 [0,0,0,0,0,1|2,1,0]=4 689 B12R2.98 c1csc(c1)Sc2nccs2 62a_100011215356_100000211983 [0,0,0,0,0,1|2,1,0]=4 690 B12R2.98 c1csc(c1)Sc2ncns2 62a_100000693119_100011215356 [0,0,0,0,0,1|3,0,0]=4 691 B12R2.98 c1csc(c1)Sc2ncns2 62a_100011215356_100000693119 [0,0,0,0,0,1|3,0,0]=4 692 B12R2.98 c1csc(c1)Sc2nncs2 62a_100000739804_100011215356 [0,0,0,0,0,1|1,1,0]=3 693 B12R2.98 c1csc(c1)Sc2nncs2 62a_100011215356_100000739804 [0,0,0,0,0,1|1,1,0]=3 694 B12R2.98 c1csc(n1)Sc2cnco2 62a_100000211983_100020591547 [0,0,0,0,0,1|2,0,1]=4 695 B12R2.98 c1csc(n1)Sc2cnco2 62a_100020591547_100000211983 [0,0,0,0,0,1|2,0,1]=4 696 B12R2.98 c1csc(n1)Sc2nncs2 62a_100000211983_100000739804 [0,0,0,0,0,1|1,1,1]=4 697 B12R2.98 c1csc(n1)Sc2nncs2 62a_100000739804_100000211983 [0,0,0,0,0,1|1,1,1]=4 698 B12R2.98 c1nc(c[nH]1)Sc2cnco2 62a_100000756875_100020591547 [0,0,0,0,0,1|2,0,1]=4 699 B12R2.98 c1nc(c[nH]1)Sc2cnco2 62a_100020591547_100000756875 [0,0,0,0,0,1|2,0,1]=4 700 B12R2.98 c1nc(c[nH]1)Sc2nncs2 62a_100000739804_100000756875 [0,0,0,0,0,1|1,1,1]=4 701 B12R2.98 c1nc(c[nH]1)Sc2nncs2 62a_100000756875_100000739804 [0,0,0,0,0,1|1,1,1]=4 702 B12R2.98 c1nc(cs1)Sc2nncs2 62a_100000739804_100000751502 [0,0,0,0,0,1|1,1,1]=4 703 B12R2.98 c1nc(cs1)Sc2nncs2 62a_100000751502_100000739804 [0,0,0,0,0,1|1,1,1]=4 704 B12R2.98 c1ncc(o1)Sc2ccsc2 62a_100000738268_100020591547 [0,0,0,0,0,1|3,0,0]=4 705 B12R2.98 c1ncc(o1)Sc2ccsc2 62a_100020591547_100000738268 [0,0,0,0,0,1|3,0,0]=4 706 B12R2.98 c1ncc(o1)Sc2ccsn2 62a_100009818082_100020591547 [0,0,0,0,0,1|2,0,1]=4 707 B12R2.98 c1ncc(o1)Sc2ccsn2 62a_100020591547_100009818082 [0,0,0,0,0,1|2,0,1]=4 708 B12R2.98 c1ncc(o1)Sc2cnco2 62a_100020591547_100020591547 [0,0,0,0,0,1|3,0,0]=4 709 B12R2.98 c1ncc(o1)Sc2cncs2 62a_100011934649_100020591547 [0,0,0,0,0,1|3,0,0]=4 710 B12R2.98 c1ncc(o1)Sc2cncs2 62a_100020591547_100011934649 [0,0,0,0,0,1|3,0,0]=4 711 B12R2.98 c1ncc(o1)Sc2cscn2 62a_100000751502_100020591547 [0,0,0,0,0,1|2,0,1]=4 712 B12R2.98 c1ncc(o1)Sc2cscn2 62a_100020591547_100000751502 [0,0,0,0,0,1|2,0,1]=4 713 B12R2.98 c1ncc(o1)Sc2nncs2 62a_100000739804_100020591547 [0,0,0,0,0,1|2,1,0]=4 714 B12R2.98 c1ncc(o1)Sc2nncs2 62a_100020591547_100000739804 [0,0,0,0,0,1|2,1,0]=4 715 B12R2.98 c1ncc(s1)Sc2nncs2 62a_100000739804_100011934649 [0,0,0,0,0,1|2,1,0]=4 716 B12R2.98 c1ncc(s1)Sc2nncs2 62a_100011934649_100000739804 [0,0,0,0,0,1|2,1,0]=4 717 B9R1.12 C=CCNc1nncs1 27a_100020586998_100000739804 [1,0,1,0,0,0|0,1,1]=4 718 B11R1.29 CC=NNC(=O)c1ccc[nH]1 4a_100000018271_200000210099 [0,1,1,0,0,0|0,0,2]=4 719 B11R1.4 OCCNN=Cc1ccc[nH]1 4a_100000210001_100000211237 [0,1,1,0,0,0|0,0,2]=4 720 B11R1.25 C=CC(=O)NCc1cnco1 240690a_100020634212_200121576911 [0,1,1,0,0,0|1,0,1]=4 721 B11R1.25 C=CC(=O)NCc1ncco1 1626a_100016994969_100000185746 [0,1,1,0,0,0|1,0,1]=4 722 B11R1.25 C=CC(=O)NCc1ncco1 240690a_100016994969_200121576911 [0,1,1,0,0,0|1,0,1]=4 723 B11R1.25 C=CC(=O)NCc1nnc[nH]1 240690a_200015183720_200121576911 [0,1,1,0,0,0|1,0,1]=4 724 B11R1.27 C=CCNCc1nnc(o1)C 2230a_100020586998_100000181450 [0,1,1,0,0,0|0,0,2]=4 725 B11R1.27 C=CCNCc1nnc(o1)C 2230a_200000236979_100000210623 [0,1,1,0,0,0|0,0,2]=4 726 B11R1.27 C=CCNCc1nnc(o1)C 34a_200000236979_100015514636 [0,1,1,0,0,0|0,0,2]=4 727 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,1,1,0,0,0|0,0,2]=4 728 B13R2.10 Cc1ccc(o1)c2cccnn2 271570a_100000061910_100016991348 [0,1,0,0,0,1|2,0,0]=4 729 B13R2.10 Cc1ccc(o1)c2ccncn2 271570a_100000061910_100000703185 [0,1,0,0,0,1|2,0,0]=4 730 B13R2.10 Cc1ccc(o1)c2ccnnc2 271570a_100000061910_100000732662 [0,1,0,0,0,1|2,0,0]=4 731 B13R2.10 Cc1ccc(s1)c2cccnn2 271570a_100011934456_100016991348 [0,1,0,0,0,1|2,0,0]=4 732 B13R2.10 Cc1ccc(s1)c2ccncn2 271570a_100011934456_100000703185 [0,1,0,0,0,1|2,0,0]=4 733 B13R2.10 Cc1ccc(s1)c2ccnnc2 271570a_100011934456_100000732662 [0,1,0,0,0,1|2,0,0]=4 734 B13R2.10 Cc1csc(c1)c2cccnn2 271570a_100000038307_100016991348 [0,1,0,0,0,1|2,0,0]=4 735 B13R2.10 Cc1csc(c1)c2ccncn2 271570a_100000038307_100000703185 [0,1,0,0,0,1|2,0,0]=4 736 B13R2.10 Cc1csc(c1)c2ccnnc2 271570a_100000038307_100000732662 [0,1,0,0,0,1|2,0,0]=4 737 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,1,0,0,0,1|1,0,0]=3 738 B13R2.10 Cc1nnc(o1)c2ccccn2 271570a_100011264011_100000708914 [0,1,0,0,0,1|0,0,1]=3 739 B13R2.10 Cc1nnc(o1)c2cccnc2 271570a_100000757648_100000708914 [0,1,0,0,0,1|0,0,1]=3 740 B13R2.10 Cc1nnc(o1)c2ccncc2 271570a_100000752145_100000708914 [0,1,0,0,0,1|1,0,0]=3 741 B13R2.10 Cc1nnc(o1)c2cnccn2 271570a_100011962566_100000708914 [0,1,0,0,0,1|0,0,1]=3 742 B13R2.10 Cc1nnc(o1)c2cncnc2 271570a_100000707473_100000708914 [0,1,0,0,0,1|1,0,1]=4 743 B13R2.10 Cc1nnc(s1)c2ccccc2 271570a_100011218836_100000686958 [0,1,0,0,0,1|1,1,0]=4 744 B13R2.10 Cc1nnc(s1)c2ccccn2 271570a_100011264011_100000686958 [0,1,0,0,0,1|0,1,1]=4 745 B13R2.10 Cc1nnc(s1)c2cccnc2 271570a_100000757648_100000686958 [0,1,0,0,0,1|0,1,1]=4 746 B13R2.10 Cc1nnc(s1)c2ccncc2 271570a_100000752145_100000686958 [0,1,0,0,0,1|1,1,0]=4 747 B13R2.10 Cc1nnc(s1)c2cnccn2 271570a_100011962566_100000686958 [0,1,0,0,0,1|0,1,1]=4 748 B13R2.10 Clc1ccc(s1)c2cccnn2 271570a_100000708867_100016991348 [0,1,0,0,0,1|2,0,0]=4 749 B13R2.10 Clc1ccc(s1)c2ccncn2 271570a_100000708867_100000703185 [0,1,0,0,0,1|2,0,0]=4 750 B13R2.10 Clc1ccc(s1)c2ccnnc2 271570a_100000708867_100000732662 [0,1,0,0,0,1|2,0,0]=4 751 B13R2.10 Nc1nnc(s1)c2ccccc2 271570a_100011218836_100000738278 [0,1,0,0,0,1|1,1,0]=4 752 B13R2.10 Nc1nnc(s1)c2ccccn2 271570a_100011264011_100000738278 [0,1,0,0,0,1|0,1,1]=4 753 B13R2.10 Nc1nnc(s1)c2cccnc2 271570a_100000757648_100000738278 [0,1,0,0,0,1|0,1,1]=4 754 B13R2.10 Nc1nnc(s1)c2ccncc2 271570a_100000752145_100000738278 [0,1,0,0,0,1|1,1,0]=4 755 B13R2.10 Nc1nnc(s1)c2cnccn2 271570a_100011962566_100000738278 [0,1,0,0,0,1|0,1,1]=4 756 B13R2.10 Oc1cnc(o1)c2ccccc2 271570a_203496583355_100009814072 [0,1,0,0,0,1|2,0,0]=4 757 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,1,0,0,0,1|2,0,0]=4 758 B13R2.10 Oc1ncc(o1)c2ccccc2 271570a_203496583355_100000729704 [0,1,0,0,0,1|2,0,0]=4 759 B13R2.10 Oc1nnc(s1)c2ccccc2 271570a_203496583355_100000694505 [0,1,0,0,0,1|1,1,0]=4 760 B13R2.12 Brc1ccc(cc1)c2cnco2 271570a_100010235827_100020591547 [0,1,0,0,0,1|2,0,0]=4 761 B13R2.12 Brc1ccc(cc1)c2ncco2 271570a_100010235827_100011787736 [0,1,0,0,0,1|2,0,0]=4 762 B13R2.12 Brc1ccc(cc1)c2nncs2 271570a_100010235827_100000739804 [0,1,0,0,0,1|1,1,0]=4 763 B13R2.12 C[n+]1ccc(cc1)c2cnco2 271570a_100010897472_100020591547 [0,1,0,0,0,1|2,0,0]=4 764 B13R2.12 C[n+]1ccc(cc1)c2ncco2 271570a_100010897472_100011787736 [0,1,0,0,0,1|2,0,0]=4 765 B13R2.12 C[n+]1ccc(cc1)c2nncs2 271570a_100010897472_100000739804 [0,1,0,0,0,1|1,1,0]=4 766 B13R2.12 Cc1ccc(cc1)c2cnco2 271570a_100000708704_100020591547 [0,1,0,0,0,1|2,0,0]=4 767 B13R2.12 Cc1ccc(cc1)c2ncco2 271570a_100000708704_100011787736 [0,1,0,0,0,1|2,0,0]=4 768 B13R2.12 Cc1ccc(cc1)c2nncs2 271570a_100000708704_100000739804 [0,1,0,0,0,1|1,1,0]=4 769 B13R2.12 Cc1ccc(cn1)c2cnco2 271570a_100012354835_100020591547 [0,1,0,0,0,1|1,0,1]=4 770 B13R2.12 Cc1ccc(cn1)c2ncco2 271570a_100012354835_100011787736 [0,1,0,0,0,1|1,0,1]=4 771 B13R2.12 Cc1ccc(cn1)c2nncs2 271570a_100012354835_100000739804 [0,1,0,0,0,1|0,1,1]=4 772 B13R2.12 Cc1ccc(nc1)c2cnco2 271570a_100000066433_100020591547 [0,1,0,0,0,1|1,0,1]=4 773 B13R2.12 Cc1ccc(nc1)c2ncco2 271570a_100000066433_100011787736 [0,1,0,0,0,1|1,0,1]=4 774 B13R2.12 Cc1ccc(nc1)c2nncs2 271570a_100000066433_100000739804 [0,1,0,0,0,1|0,1,1]=4 775 B13R2.12 Cc1ccc(nn1)c2ccco2 271570a_100000750936_100011450037 [0,1,0,0,0,1|2,0,0]=4 776 B13R2.12 Cc1ccc(nn1)c2cccs2 271570a_100000742291_100011450037 [0,1,0,0,0,1|2,0,0]=4 777 B13R2.12 Cc1ccc(nn1)c2ncc[nH]2 271570a_100016988920_100011450037 [0,1,0,0,0,1|2,0,0]=4 778 B13R2.12 Clc1ccc(cc1)c2cnco2 271570a_100011213355_100020591547 [0,1,0,0,0,1|2,0,0]=4 779 B13R2.12 Clc1ccc(cc1)c2ncco2 271570a_100011213355_100011787736 [0,1,0,0,0,1|2,0,0]=4 780 B13R2.12 Clc1ccc(cc1)c2nncs2 271570a_100011213355_100000739804 [0,1,0,0,0,1|1,1,0]=4 781 B13R2.12 Clc1ccc(cn1)c2cnco2 271570a_100000037156_100020591547 [0,1,0,0,0,1|1,0,1]=4 782 B13R2.12 Clc1ccc(cn1)c2ncco2 271570a_100000037156_100011787736 [0,1,0,0,0,1|1,0,1]=4 783 B13R2.12 Clc1ccc(cn1)c2nncs2 271570a_100000037156_100000739804 [0,1,0,0,0,1|0,1,1]=4 784 B13R2.12 Clc1ccc(nc1)c2cnco2 271570a_200000049369_100020591547 [0,1,0,0,0,1|1,0,1]=4 785 B13R2.12 Clc1ccc(nc1)c2ncco2 271570a_200000049369_100011787736 [0,1,0,0,0,1|1,0,1]=4 786 B13R2.12 Clc1ccc(nc1)c2nncs2 271570a_200000049369_100000739804 [0,1,0,0,0,1|0,1,1]=4 787 B13R2.12 Fc1ccc(cc1)c2cnco2 271570a_100011934326_100020591547 [0,1,0,0,0,1|2,0,0]=4 788 B13R2.12 Fc1ccc(cc1)c2ncco2 271570a_100011934326_100011787736 [0,1,0,0,0,1|2,0,0]=4 789 B13R2.12 Fc1ccc(cc1)c2nncs2 271570a_100011934326_100000739804 [0,1,0,0,0,1|1,1,0]=4 790 B13R2.12 Fc1ccc(cn1)c2cnco2 271570a_100000041719_100020591547 [0,1,0,0,0,1|1,0,1]=4 791 B13R2.12 Fc1ccc(cn1)c2ncco2 271570a_100000041719_100011787736 [0,1,0,0,0,1|1,0,1]=4 792 B13R2.12 Fc1ccc(cn1)c2nncs2 271570a_100000041719_100000739804 [0,1,0,0,0,1|0,1,1]=4 793 B13R2.12 Fc1ccc(nc1)c2cnco2 271570a_100000117362_100020591547 [0,1,0,0,0,1|1,0,1]=4 794 B13R2.12 Fc1ccc(nc1)c2ncco2 271570a_100000117362_100011787736 [0,1,0,0,0,1|1,0,1]=4 795 B13R2.12 Fc1ccc(nc1)c2nncs2 271570a_100000117362_100000739804 [0,1,0,0,0,1|0,1,1]=4 796 B13R2.12 Ic1ccc(cc1)c2cnco2 271570a_100000033156_100020591547 [0,1,0,0,0,1|2,0,0]=4 797 B13R2.12 Ic1ccc(cc1)c2ncco2 271570a_100000033156_100011787736 [0,1,0,0,0,1|2,0,0]=4 798 B13R2.12 Ic1ccc(cc1)c2nncs2 271570a_100000033156_100000739804 [0,1,0,0,0,1|1,1,0]=4 799 B13R2.12 Nc1ccc(cc1)c2cnco2 271570a_100015188457_100020591547 [0,1,0,0,0,1|2,0,0]=4 800 B13R2.12 Nc1ccc(cc1)c2ncco2 271570a_100015188457_100011787736 [0,1,0,0,0,1|2,0,0]=4 801 B13R2.12 Nc1ccc(cc1)c2nncs2 271570a_100015188457_100000739804 [0,1,0,0,0,1|1,1,0]=4 802 B13R2.12 Nc1ccc(cn1)c2cnco2 271570a_100000062249_100020591547 [0,1,0,0,0,1|1,0,1]=4 803 B13R2.12 Nc1ccc(cn1)c2ncco2 271570a_100000062249_100011787736 [0,1,0,0,0,1|1,0,1]=4 804 B13R2.12 Nc1ccc(cn1)c2nncs2 271570a_100000062249_100000739804 [0,1,0,0,0,1|0,1,1]=4 805 B13R2.12 Nc1ccc(nn1)c2ccco2 271570a_100000750936_100009816609 [0,1,0,0,0,1|2,0,0]=4 806 B13R2.12 Nc1ccc(nn1)c2cccs2 271570a_100000742291_100009816609 [0,1,0,0,0,1|2,0,0]=4 807 B13R2.12 Nc1ccc(nn1)c2ncc[nH]2 271570a_100016988920_100009816609 [0,1,0,0,0,1|2,0,0]=4 808 B13R2.12 Nc1ncc(nn1)c2ccco2 271570a_100000750936_100000691435 [0,1,0,0,0,1|2,0,0]=4 809 B13R2.12 Nc1ncc(nn1)c2cccs2 271570a_100000742291_100000691435 [0,1,0,0,0,1|2,0,0]=4 810 B13R2.12 Nc1ncc(nn1)c2ncc[nH]2 271570a_100016988920_100000691435 [0,1,0,0,0,1|2,0,0]=4 811 B13R2.12 O=c1ccc(c[nH]1)c2cc[nH]n2 271570a_100000062414_100000212171 [0,1,0,0,0,1|1,0,1]=4 812 B13R2.12 O=c1ccc(c[nH]1)c2ccco2 271570a_100000750936_100000212171 [0,1,0,0,0,1|2,0,0]=4 813 B13R2.12 O=c1ccc(c[nH]1)c2cncs2 271570a_100010231675_100000212171 [0,1,0,0,0,1|1,1,0]=4 814 B13R2.12 O=c1ccc(c[nH]1)c2ncc[nH]2 271570a_100016988920_100000212171 [0,1,0,0,0,1|2,0,0]=4 815 B13R2.12 O=c1ccc(n[nH]1)c2cc[nH]n2 271570a_100000062414_100009820020 [0,1,0,0,0,1|1,0,1]=4 816 B13R2.12 O=c1ccc(n[nH]1)c2ccco2 271570a_100000750936_100009820020 [0,1,0,0,0,1|2,0,0]=4 817 B13R2.12 O=c1ccc(n[nH]1)c2cncs2 271570a_100010231675_100009820020 [0,1,0,0,0,1|1,1,0]=4 818 B13R2.12 O=c1ccc(n[nH]1)c2ncc[nH]2 271570a_100016988920_100009820020 [0,1,0,0,0,1|2,0,0]=4 819 B13R2.12 O=c1ncc(c[nH]1)c2cnco2 271570a_100000079150_100020591547 [0,1,0,0,0,1|2,0,0]=4 820 B13R2.12 O=c1ncc(c[nH]1)c2ncco2 271570a_100000079150_100011787736 [0,1,0,0,0,1|2,0,0]=4 821 B13R2.12 O=c1ncc(c[nH]1)c2nncs2 271570a_100000079150_100000739804 [0,1,0,0,0,1|1,1,0]=4 822 B13R2.12 Oc1ccc(cc1)c2cnco2 271570a_100015205159_100020591547 [0,1,0,0,0,1|2,0,0]=4 823 B13R2.12 Oc1ccc(cc1)c2cnco2 271570a_203496583355_100009814239 [0,1,0,0,0,1|2,0,0]=4 824 B13R2.12 Oc1ccc(cc1)c2ncco2 271570a_100015205159_100011787736 [0,1,0,0,0,1|2,0,0]=4 825 B13R2.12 Oc1ccc(cc1)c2ncco2 271570a_203496583355_200010153272 [0,1,0,0,0,1|2,0,0]=4 826 B13R2.12 Oc1ccc(cc1)c2nnc[nH]2 271570a_203496583355_100000756173 [0,1,0,0,0,1|2,0,0]=4 827 B13R2.12 Oc1ccc(cc1)c2nnco2 271570a_203496583355_100000179025 [0,1,0,0,0,1|1,0,0]=3 828 B13R2.12 Oc1ccc(cc1)c2nncs2 271570a_100015205159_100000739804 [0,1,0,0,0,1|1,1,0]=4 829 B13R2.12 Oc1ccc(cn1)c2cnco2 271570a_100000062254_100020591547 [0,1,0,0,0,1|1,0,1]=4 830 B13R2.12 Oc1ccc(cn1)c2ncco2 271570a_100000062254_100011787736 [0,1,0,0,0,1|1,0,1]=4 831 B13R2.12 Oc1ccc(cn1)c2nncs2 271570a_100000062254_100000739804 [0,1,0,0,0,1|0,1,1]=4 832 B13R2.13 Brc1cncc(c1)c2cnco2 271570a_200009814628_100020591547 [0,1,0,0,0,1|1,0,1]=4 833 B13R2.13 Brc1cncc(c1)c2ncco2 271570a_200009814628_100011787736 [0,1,0,0,0,1|1,0,1]=4 834 B13R2.13 Brc1cncc(c1)c2nncs2 271570a_200009814628_100000739804 [0,1,0,0,0,1|0,1,1]=4 835 B13R2.13 Cc1cc(ccn1)c2cnco2 271570a_100011830414_100020591547 [0,1,0,0,0,1|2,0,0]=4 836 B13R2.13 Cc1cc(ccn1)c2ncco2 271570a_100011830414_100011787736 [0,1,0,0,0,1|2,0,0]=4 837 B13R2.13 Cc1cc(ccn1)c2nncs2 271570a_100011830414_100000739804 [0,1,0,0,0,1|1,1,0]=4 838 B13R2.13 Cc1cc(cnn1)c2ccco2 271570a_100010138862_100009814098 [0,1,0,0,0,1|2,0,0]=4 839 B13R2.13 Cc1cc(cnn1)c2cccs2 271570a_100010138862_100011215356 [0,1,0,0,0,1|2,0,0]=4 840 B13R2.13 Cc1cc(cnn1)c2ncc[nH]2 271570a_100010138862_100025796157 [0,1,0,0,0,1|2,0,0]=4 841 B13R2.13 Cc1cc(ncn1)c2ccco2 271570a_100000750936_100000744208 [0,1,0,0,0,1|2,0,0]=4 842 B13R2.13 Cc1cc(ncn1)c2cccs2 271570a_100000742291_100000744208 [0,1,0,0,0,1|2,0,0]=4 843 B13R2.13 Cc1cc(ncn1)c2ncc[nH]2 271570a_100016988920_100000744208 [0,1,0,0,0,1|2,0,0]=4 844 B13R2.13 Cc1cccc(c1)c2cnco2 271570a_100000749446_100020591547 [0,1,0,0,0,1|2,0,0]=4 845 B13R2.13 Cc1cccc(c1)c2ncco2 271570a_100000749446_100011787736 [0,1,0,0,0,1|2,0,0]=4 846 B13R2.13 Cc1cccc(c1)c2nncs2 271570a_100000749446_100000739804 [0,1,0,0,0,1|1,1,0]=4 847 B13R2.13 Cc1cccc(n1)c2cnco2 271570a_100000046275_100020591547 [0,1,0,0,0,1|1,0,1]=4 848 B13R2.13 Cc1cccc(n1)c2ncco2 271570a_100000046275_100011787736 [0,1,0,0,0,1|1,0,1]=4 849 B13R2.13 Cc1cccc(n1)c2nncs2 271570a_100000046275_100000739804 [0,1,0,0,0,1|0,1,1]=4 850 B13R2.13 Cc1ccnc(c1)c2cnco2 271570a_100000049243_100020591547 [0,1,0,0,0,1|1,0,1]=4 851 B13R2.13 Cc1ccnc(c1)c2ncco2 271570a_100000049243_100011787736 [0,1,0,0,0,1|1,0,1]=4 852 B13R2.13 Cc1ccnc(c1)c2nncs2 271570a_100000049243_100000739804 [0,1,0,0,0,1|0,1,1]=4 853 B13R2.13 Cc1cncc(c1)c2cnco2 271570a_100012355712_100020591547 [0,1,0,0,0,1|1,0,1]=4 854 B13R2.13 Cc1cncc(c1)c2ncco2 271570a_100012355712_100011787736 [0,1,0,0,0,1|1,0,1]=4 855 B13R2.13 Cc1cncc(c1)c2nncs2 271570a_100012355712_100000739804 [0,1,0,0,0,1|0,1,1]=4 856 B13R2.13 Cc1cnnc(c1)c2ccco2 271570a_100000750936_100000070100 [0,1,0,0,0,1|2,0,0]=4 857 B13R2.13 Cc1cnnc(c1)c2cccs2 271570a_100000742291_100000070100 [0,1,0,0,0,1|2,0,0]=4 858 B13R2.13 Cc1cnnc(c1)c2ncc[nH]2 271570a_100016988920_100000070100 [0,1,0,0,0,1|2,0,0]=4 859 B13R2.13 Cc1nccc(n1)c2ccco2 271570a_100000750936_100000749937 [0,1,0,0,0,1|2,0,0]=4 860 B13R2.13 Cc1nccc(n1)c2cccs2 271570a_100000742291_100000749937 [0,1,0,0,0,1|2,0,0]=4 861 B13R2.13 Cc1nccc(n1)c2ncc[nH]2 271570a_100016988920_100000749937 [0,1,0,0,0,1|2,0,0]=4 862 B13R2.13 Clc1cc(ccn1)c2cnco2 271570a_100000049459_100020591547 [0,1,0,0,0,1|2,0,0]=4 863 B13R2.13 Clc1cc(ccn1)c2ncco2 271570a_100000049459_100011787736 [0,1,0,0,0,1|2,0,0]=4 864 B13R2.13 Clc1cc(ccn1)c2nncs2 271570a_100000049459_100000739804 [0,1,0,0,0,1|1,1,0]=4 865 B13R2.13 Clc1cccc(c1)c2cnco2 271570a_100011214927_100020591547 [0,1,0,0,0,1|2,0,0]=4 866 B13R2.13 Clc1cccc(c1)c2ncco2 271570a_100011214927_100011787736 [0,1,0,0,0,1|2,0,0]=4 867 B13R2.13 Clc1cccc(c1)c2nncs2 271570a_100011214927_100000739804 [0,1,0,0,0,1|1,1,0]=4 868 B13R2.13 Clc1cccc(n1)c2cnco2 271570a_100000062326_100020591547 [0,1,0,0,0,1|1,0,1]=4 869 B13R2.13 Clc1cccc(n1)c2ncco2 271570a_100000062326_100011787736 [0,1,0,0,0,1|1,0,1]=4 870 B13R2.13 Clc1cccc(n1)c2nncs2 271570a_100000062326_100000739804 [0,1,0,0,0,1|0,1,1]=4 871 B13R2.13 Clc1cncc(c1)c2cnco2 271570a_100000049213_100020591547 [0,1,0,0,0,1|1,0,1]=4 872 B13R2.13 Clc1cncc(c1)c2ncco2 271570a_100000049213_100011787736 [0,1,0,0,0,1|1,0,1]=4 873 B13R2.13 Clc1cncc(c1)c2nncs2 271570a_100000049213_100000739804 [0,1,0,0,0,1|0,1,1]=4 874 B13R2.13 Fc1cc(ccn1)c2cnco2 271570a_100000062321_100020591547 [0,1,0,0,0,1|2,0,0]=4 875 B13R2.13 Fc1cc(ccn1)c2ncco2 271570a_100000062321_100011787736 [0,1,0,0,0,1|2,0,0]=4 876 B13R2.13 Fc1cc(ccn1)c2nncs2 271570a_100000062321_100000739804 [0,1,0,0,0,1|1,1,0]=4 877 B13R2.13 Fc1cc(ncn1)c2ccco2 271570a_100000750936_200009880791 [0,1,0,0,0,1|2,0,0]=4 878 B13R2.13 Fc1cc(ncn1)c2cccs2 271570a_100000742291_200009880791 [0,1,0,0,0,1|2,0,0]=4 879 B13R2.13 Fc1cc(ncn1)c2ncc[nH]2 271570a_100016988920_200009880791 [0,1,0,0,0,1|2,0,0]=4 880 B13R2.13 Fc1cccc(c1)c2cnco2 271570a_100012349223_100020591547 [0,1,0,0,0,1|2,0,0]=4 881 B13R2.13 Fc1cccc(c1)c2ncco2 271570a_100012349223_100011787736 [0,1,0,0,0,1|2,0,0]=4 882 B13R2.13 Fc1cccc(c1)c2nncs2 271570a_100012349223_100000739804 [0,1,0,0,0,1|1,1,0]=4 883 B13R2.13 Fc1cccc(n1)c2cnco2 271570a_100000090185_100020591547 [0,1,0,0,0,1|1,0,1]=4 884 B13R2.13 Fc1cccc(n1)c2ncco2 271570a_100000090185_100011787736 [0,1,0,0,0,1|1,0,1]=4 885 B13R2.13 Fc1cccc(n1)c2nncs2 271570a_100000090185_100000739804 [0,1,0,0,0,1|0,1,1]=4 886 B13R2.13 Fc1ccnc(c1)c2cnco2 271570a_200000087102_100020591547 [0,1,0,0,0,1|1,0,1]=4 887 B13R2.13 Fc1ccnc(c1)c2ncco2 271570a_200000087102_100011787736 [0,1,0,0,0,1|1,0,1]=4 888 B13R2.13 Fc1ccnc(c1)c2nncs2 271570a_200000087102_100000739804 [0,1,0,0,0,1|0,1,1]=4 889 B13R2.13 Fc1cncc(c1)c2cnco2 271570a_100000757375_100020591547 [0,1,0,0,0,1|1,0,1]=4 890 B13R2.13 Fc1cncc(c1)c2ncco2 271570a_100000757375_100011787736 [0,1,0,0,0,1|1,0,1]=4 891 B13R2.13 Fc1cncc(c1)c2nncs2 271570a_100000757375_100000739804 [0,1,0,0,0,1|0,1,1]=4 892 B13R2.13 Ic1cccc(c1)c2cnco2 271570a_100000043368_100020591547 [0,1,0,0,0,1|2,0,0]=4 893 B13R2.13 Ic1cccc(c1)c2ncco2 271570a_100000043368_100011787736 [0,1,0,0,0,1|2,0,0]=4 894 B13R2.13 Ic1cccc(c1)c2nncs2 271570a_100000043368_100000739804 [0,1,0,0,0,1|1,1,0]=4 895 B13R2.13 Nc1cc(ccn1)c2cnco2 271570a_102125402725_100020591547 [0,1,0,0,0,1|2,0,0]=4 896 B13R2.13 Nc1cc(ccn1)c2ncco2 271570a_102125402725_100011787736 [0,1,0,0,0,1|2,0,0]=4 897 B13R2.13 Nc1cc(ccn1)c2nncs2 271570a_102125402725_100000739804 [0,1,0,0,0,1|1,1,0]=4 898 B13R2.13 Nc1cc(cnn1)c2ccco2 271570a_100000750936_100000130277 [0,1,0,0,0,1|2,0,0]=4 899 B13R2.13 Nc1cc(cnn1)c2cccs2 271570a_100000742291_100000130277 [0,1,0,0,0,1|2,0,0]=4 900 B13R2.13 Nc1cc(cnn1)c2ncc[nH]2 271570a_100016988920_100000130277 [0,1,0,0,0,1|2,0,0]=4 901 B13R2.13 Nc1cc(ncn1)c2ccco2 271570a_100000750936_100000701291 [0,1,0,0,0,1|2,0,0]=4 902 B13R2.13 Nc1cc(ncn1)c2cccs2 271570a_100000742291_100000701291 [0,1,0,0,0,1|2,0,0]=4 903 B13R2.13 Nc1cc(ncn1)c2ncc[nH]2 271570a_100016988920_100000701291 [0,1,0,0,0,1|2,0,0]=4 904 B13R2.13 Nc1cccc(c1)c2cnco2 271570a_100000699968_100020591547 [0,1,0,0,0,1|2,0,0]=4 905 B13R2.13 Nc1cccc(c1)c2ncco2 271570a_100000699968_100011787736 [0,1,0,0,0,1|2,0,0]=4 906 B13R2.13 Nc1cccc(c1)c2nncs2 271570a_100000699968_100000739804 [0,1,0,0,0,1|1,1,0]=4 907 B13R2.13 Nc1cncc(c1)c2cnco2 271570a_100000069896_100020591547 [0,1,0,0,0,1|1,0,1]=4 908 B13R2.13 Nc1cncc(c1)c2ncco2 271570a_100000069896_100011787736 [0,1,0,0,0,1|1,0,1]=4 909 B13R2.13 Nc1cncc(c1)c2nncs2 271570a_100000069896_100000739804 [0,1,0,0,0,1|0,1,1]=4 910 B13R2.13 Nc1nccc(n1)c2ccco2 271570a_100000750936_100009820717 [0,1,0,0,0,1|2,0,0]=4 911 B13R2.13 Nc1nccc(n1)c2cccs2 271570a_100000742291_100009820717 [0,1,0,0,0,1|2,0,0]=4 912 B13R2.13 Nc1nccc(n1)c2ncc[nH]2 271570a_100016988920_100009820717 [0,1,0,0,0,1|2,0,0]=4 913 B13R2.13 Nc1ncnc(n1)c2ccco2 271570a_100000750936_100000123831 [0,1,0,0,0,1|2,0,0]=4 914 B13R2.13 Nc1ncnc(n1)c2cccs2 271570a_100000742291_100000123831 [0,1,0,0,0,1|2,0,0]=4 915 B13R2.13 Nc1ncnc(n1)c2ncc[nH]2 271570a_100016988920_100000123831 [0,1,0,0,0,1|2,0,0]=4 916 B13R2.13 O=c1cccc([nH]1)c2cc[nH]n2 271570a_100000062414_100000761760 [0,1,0,0,0,1|1,0,1]=4 917 B13R2.13 O=c1cccc([nH]1)c2ccco2 271570a_100000750936_100000761760 [0,1,0,0,0,1|2,0,0]=4 918 B13R2.13 O=c1cccc([nH]1)c2cncs2 271570a_100010231675_100000761760 [0,1,0,0,0,1|1,1,0]=4 919 B13R2.13 O=c1cccc([nH]1)c2ncc[nH]2 271570a_100016988920_100000761760 [0,1,0,0,0,1|2,0,0]=4 920 B13R2.13 Oc1cc(ccn1)c2cnco2 271570a_100010237957_100020591547 [0,1,0,0,0,1|2,0,0]=4 921 B13R2.13 Oc1cc(ccn1)c2ncco2 271570a_100010237957_100011787736 [0,1,0,0,0,1|2,0,0]=4 922 B13R2.13 Oc1cc(ccn1)c2nncs2 271570a_100010237957_100000739804 [0,1,0,0,0,1|1,1,0]=4 923 B13R2.13 Oc1cc(ncn1)c2ccco2 271570a_100000750936_100000765262 [0,1,0,0,0,1|2,0,0]=4 924 B13R2.13 Oc1cc(ncn1)c2cccs2 271570a_100000742291_100000765262 [0,1,0,0,0,1|2,0,0]=4 925 B13R2.13 Oc1cc(ncn1)c2ncc[nH]2 271570a_100016988920_100000765262 [0,1,0,0,0,1|2,0,0]=4 926 B13R2.13 Oc1cccc(c1)c2cnco2 271570a_100000693801_100020591547 [0,1,0,0,0,1|2,0,0]=4 927 B13R2.13 Oc1cccc(c1)c2cnco2 271570a_203496583355_100009816722 [0,1,0,0,0,1|2,0,0]=4 928 B13R2.13 Oc1cccc(c1)c2ncco2 271570a_100000693801_100011787736 [0,1,0,0,0,1|2,0,0]=4 929 B13R2.13 Oc1cccc(c1)c2ncco2 271570a_203496583355_100010153273 [0,1,0,0,0,1|2,0,0]=4 930 B13R2.13 Oc1cccc(c1)c2nnc[nH]2 271570a_203496583355_100000756174 [0,1,0,0,0,1|2,0,0]=4 931 B13R2.13 Oc1cccc(c1)c2nnco2 271570a_203496583355_100000187340 [0,1,0,0,0,1|1,0,0]=3 932 B13R2.13 Oc1cccc(c1)c2nncs2 271570a_100000693801_100000739804 [0,1,0,0,0,1|1,1,0]=4 933 B13R2.13 Oc1cccc(n1)c2cnco2 271570a_100010195584_100020591547 [0,1,0,0,0,1|1,0,1]=4 934 B13R2.13 Oc1cccc(n1)c2ncco2 271570a_100010195584_100011787736 [0,1,0,0,0,1|1,0,1]=4 935 B13R2.13 Oc1cccc(n1)c2nncs2 271570a_100010195584_100000739804 [0,1,0,0,0,1|0,1,1]=4 936 B13R2.13 Oc1cncc(c1)c2cnco2 271570a_100010248756_100020591547 [0,1,0,0,0,1|1,0,1]=4 937 B13R2.13 Oc1cncc(c1)c2ncco2 271570a_100010248756_100011787736 [0,1,0,0,0,1|1,0,1]=4 938 B13R2.13 Oc1cncc(c1)c2nnco2 271570a_203496583355_100009816944 [0,1,0,0,0,1|0,0,1]=3 939 B13R2.13 Oc1cncc(c1)c2nncs2 271570a_100010248756_100000739804 [0,1,0,0,0,1|0,1,1]=4 940 B13R2.13 Oc1cnnc(c1)c2ccco2 271570a_100000750936_200010734679 [0,1,0,0,0,1|2,0,0]=4 941 B13R2.13 Oc1cnnc(c1)c2cccs2 271570a_100000742291_200010734679 [0,1,0,0,0,1|2,0,0]=4 942 B13R2.13 Oc1cnnc(c1)c2ncc[nH]2 271570a_100016988920_200010734679 [0,1,0,0,0,1|2,0,0]=4 943 B13R2.13 Oc1nccc(n1)c2ccco2 271570a_203496583355_100011935169 [0,1,0,0,0,1|2,0,0]=4 944 B13R2.13 Oc1nccc(n1)c2cccs2 271570a_203496583355_200011934877 [0,1,0,0,0,1|2,0,0]=4 945 B13R2.15 Cc1ccsc1c2cccnn2 271570a_100000734444_100016991348 [0,1,0,0,0,1|2,0,0]=4 946 B13R2.15 Cc1ccsc1c2ccncn2 271570a_100000734444_100000703185 [0,1,0,0,0,1|2,0,0]=4 947 B13R2.15 Cc1ccsc1c2ccnnc2 271570a_100000734444_100000732662 [0,1,0,0,0,1|2,0,0]=4 948 B13R2.15 Cn1cccc1c2ccccn2 271570a_100000068268_100011216584 [0,1,0,0,0,1|2,0,0]=4 949 B13R2.15 Cn1cccc1c2cccnc2 271570a_100000068268_100000752921 [0,1,0,0,0,1|2,0,0]=4 950 B13R2.15 Cn1cccc1c2cccnn2 271570a_100000068268_100016991348 [0,1,0,0,0,1|1,0,0]=3 951 B13R2.15 Cn1cccc1c2ccncc2 271570a_100000068268_100000035832 [0,1,0,0,0,1|2,0,0]=4 952 B13R2.15 Cn1cccc1c2ccncn2 271570a_100000068268_100000703185 [0,1,0,0,0,1|1,0,0]=3 953 B13R2.15 Cn1cccc1c2ccnnc2 271570a_100000068268_100000732662 [0,1,0,0,0,1|1,0,0]=3 954 B13R2.15 Cn1cccc1c2cnccn2 271570a_100000068268_100000758340 [0,1,0,0,0,1|2,0,0]=4 955 B13R2.15 Cn1cccc1c2cncnc2 271570a_100000068268_100011206942 [0,1,0,0,0,1|2,0,0]=4 956 B13R2.15 Cn1cccc1c2cnnnc2 271570a_100000068268_100009846058 [0,1,0,0,0,1|2,0,0]=4 957 B13R2.15 Cn1cccc1c2ncccn2 271570a_100000068268_100000211032 [0,1,0,0,0,1|2,0,0]=4 958 B13R2.15 Cn1cncc1c2cccnn2 271570a_100009892668_100016991348 [0,1,0,0,0,1|2,0,0]=4 959 B13R2.15 Cn1cncc1c2ccncn2 271570a_100009892668_100000703185 [0,1,0,0,0,1|2,0,0]=4 960 B13R2.15 Cn1cncc1c2ccnnc2 271570a_100009892668_100000732662 [0,1,0,0,0,1|2,0,0]=4 961 B13R2.15 Cn1nccc1c2cccnn2 271570a_100000707534_100016991348 [0,1,0,0,0,1|2,0,0]=4 962 B13R2.15 Cn1nccc1c2ccncn2 271570a_100000707534_100000703185 [0,1,0,0,0,1|2,0,0]=4 963 B13R2.15 Cn1nccc1c2ccnnc2 271570a_100000707534_100000732662 [0,1,0,0,0,1|2,0,0]=4 964 B13R2.18 Cc1ccccc1c2cnco2 271570a_100000747142_100020591547 [0,1,0,0,0,1|2,0,0]=4 965 B13R2.18 Cc1ccccc1c2ncco2 271570a_100000747142_100011787736 [0,1,0,0,0,1|2,0,0]=4 966 B13R2.18 Cc1ccccc1c2nncs2 271570a_100000747142_100000739804 [0,1,0,0,0,1|1,1,0]=4 967 B13R2.18 Cc1ccncc1c2cnco2 271570a_100011935247_100020591547 [0,1,0,0,0,1|1,0,1]=4 968 B13R2.18 Cc1ccncc1c2ncco2 271570a_100011935247_100011787736 [0,1,0,0,0,1|1,0,1]=4 969 B13R2.18 Cc1ccncc1c2nncs2 271570a_100011935247_100000739804 [0,1,0,0,0,1|0,1,1]=4 970 B13R2.18 Cc1ccnnc1c2ccco2 271570a_100000750936_100000089043 [0,1,0,0,0,1|2,0,0]=4 971 B13R2.18 Cc1ccnnc1c2cccs2 271570a_100000742291_100000089043 [0,1,0,0,0,1|2,0,0]=4 972 B13R2.18 Cc1ccnnc1c2ncc[nH]2 271570a_100016988920_100000089043 [0,1,0,0,0,1|2,0,0]=4 973 B13R2.18 Cc1cnccc1c2cnco2 271570a_100000701363_100020591547 [0,1,0,0,0,1|2,0,0]=4 974 B13R2.18 Cc1cnccc1c2ncco2 271570a_100000701363_100011787736 [0,1,0,0,0,1|2,0,0]=4 975 B13R2.18 Cc1cnccc1c2nncs2 271570a_100000701363_100000739804 [0,1,0,0,0,1|1,1,0]=4 976 B13R2.18 Cc1cncnc1c2ccco2 271570a_100000750936_100011998708 [0,1,0,0,0,1|2,0,0]=4 977 B13R2.18 Cc1cncnc1c2cccs2 271570a_100000742291_100011998708 [0,1,0,0,0,1|2,0,0]=4 978 B13R2.18 Cc1cncnc1c2ncc[nH]2 271570a_100016988920_100011998708 [0,1,0,0,0,1|2,0,0]=4 979 B13R2.18 Cc1ncccc1c2cnco2 271570a_100011934933_100020591547 [0,1,0,0,0,1|1,0,1]=4 980 B13R2.18 Cc1ncccc1c2ncco2 271570a_100011934933_100011787736 [0,1,0,0,0,1|1,0,1]=4 981 B13R2.18 Cc1ncccc1c2nncs2 271570a_100011934933_100000739804 [0,1,0,0,0,1|0,1,1]=4 982 B13R2.18 Clc1ccccc1c2cnco2 271570a_100011934419_100020591547 [0,1,0,0,0,1|2,0,0]=4 983 B13R2.18 Clc1ccccc1c2ncco2 271570a_100011934419_100011787736 [0,1,0,0,0,1|2,0,0]=4 984 B13R2.18 Clc1ccccc1c2nncs2 271570a_100011934419_100000739804 [0,1,0,0,0,1|1,1,0]=4 985 B13R2.18 Clc1cccnc1c2cnco2 271570a_100009857861_100020591547 [0,1,0,0,0,1|1,0,1]=4 986 B13R2.18 Clc1cccnc1c2ncco2 271570a_100009857861_100011787736 [0,1,0,0,0,1|1,0,1]=4 987 B13R2.18 Clc1cccnc1c2nncs2 271570a_100009857861_100000739804 [0,1,0,0,0,1|0,1,1]=4 988 B13R2.18 Clc1ccncc1c2cnco2 271570a_100000062317_100020591547 [0,1,0,0,0,1|1,0,1]=4 989 B13R2.18 Clc1ccncc1c2ncco2 271570a_100000062317_100011787736 [0,1,0,0,0,1|1,0,1]=4 990 B13R2.18 Clc1ccncc1c2nncs2 271570a_100000062317_100000739804 [0,1,0,0,0,1|0,1,1]=4 991 B13R2.18 Clc1cnccc1c2cnco2 271570a_100000062318_100020591547 [0,1,0,0,0,1|2,0,0]=4 992 B13R2.18 Clc1cnccc1c2ncco2 271570a_100000062318_100011787736 [0,1,0,0,0,1|2,0,0]=4 993 B13R2.18 Clc1cnccc1c2nncs2 271570a_100000062318_100000739804 [0,1,0,0,0,1|1,1,0]=4 994 B13R2.18 Clc1ncccc1c2cnco2 271570a_100000047009_100020591547 [0,1,0,0,0,1|1,0,1]=4 995 B13R2.18 Clc1ncccc1c2ncco2 271570a_100000047009_100011787736 [0,1,0,0,0,1|1,0,1]=4 996 B13R2.18 Clc1ncccc1c2nncs2 271570a_100000047009_100000739804 [0,1,0,0,0,1|0,1,1]=4 997 B13R2.18 Fc1ccccc1c2cnco2 271570a_100000761933_100020591547 [0,1,0,0,0,1|2,0,0]=4 998 B13R2.18 Fc1ccccc1c2ncco2 271570a_100000761933_100011787736 [0,1,0,0,0,1|2,0,0]=4 999 B13R2.18 Fc1ccccc1c2nncs2 271570a_100000761933_100000739804 [0,1,0,0,0,1|1,1,0]=4 1000 B13R2.18 Fc1cnccc1c2cnco2 271570a_100011290801_100020591547 [0,1,0,0,0,1|2,0,0]=4 1001 B13R2.18 Fc1cnccc1c2ncco2 271570a_100011290801_100011787736 [0,1,0,0,0,1|2,0,0]=4 1002 B13R2.18 Fc1cnccc1c2nncs2 271570a_100011290801_100000739804 [0,1,0,0,0,1|1,1,0]=4 1003 B13R2.18 Fc1cncnc1c2ccco2 271570a_100000750936_100000069762 [0,1,0,0,0,1|2,0,0]=4 1004 B13R2.18 Fc1cncnc1c2cccs2 271570a_100000742291_100000069762 [0,1,0,0,0,1|2,0,0]=4 1005 B13R2.18 Fc1cncnc1c2ncc[nH]2 271570a_100016988920_100000069762 [0,1,0,0,0,1|2,0,0]=4 1006 B13R2.18 Fc1ncccc1c2cnco2 271570a_100000042387_100020591547 [0,1,0,0,0,1|1,0,1]=4 1007 B13R2.18 Fc1ncccc1c2ncco2 271570a_100000042387_100011787736 [0,1,0,0,0,1|1,0,1]=4 1008 B13R2.18 Fc1ncccc1c2nncs2 271570a_100000042387_100000739804 [0,1,0,0,0,1|0,1,1]=4 1009 B13R2.18 Ic1ccccc1c2cnco2 271570a_100000069755_100020591547 [0,1,0,0,0,1|2,0,0]=4 1010 B13R2.18 Ic1ccccc1c2ncco2 271570a_100000069755_100011787736 [0,1,0,0,0,1|2,0,0]=4 1011 B13R2.18 Ic1ccccc1c2nncs2 271570a_100000069755_100000739804 [0,1,0,0,0,1|1,1,0]=4 1012 B13R2.18 Nc1ccccc1c2cnco2 271570a_100000034411_100020591547 [0,1,0,0,0,1|2,0,0]=4 1013 B13R2.18 Nc1ccccc1c2ncco2 271570a_100000034411_100011787736 [0,1,0,0,0,1|2,0,0]=4 1014 B13R2.18 Nc1ccccc1c2nncs2 271570a_100000034411_100000739804 [0,1,0,0,0,1|1,1,0]=4 1015 B13R2.18 Nc1ccncc1c2cnco2 271570a_200010248739_100020591547 [0,1,0,0,0,1|1,0,1]=4 1016 B13R2.18 Nc1ccncc1c2ncco2 271570a_200010248739_100011787736 [0,1,0,0,0,1|1,0,1]=4 1017 B13R2.18 Nc1ccncc1c2nncs2 271570a_200010248739_100000739804 [0,1,0,0,0,1|0,1,1]=4 1018 B13R2.18 Nc1cncnc1c2ccco2 271570a_100000750936_100000709731 [0,1,0,0,0,1|2,0,0]=4 1019 B13R2.18 Nc1cncnc1c2cccs2 271570a_100000742291_100000709731 [0,1,0,0,0,1|2,0,0]=4 1020 B13R2.18 Nc1cncnc1c2ncc[nH]2 271570a_100016988920_100000709731 [0,1,0,0,0,1|2,0,0]=4 1021 B13R2.18 Nc1cnncc1c2ccco2 271570a_100000750936_100009829405 [0,1,0,0,0,1|2,0,0]=4 1022 B13R2.18 Nc1cnncc1c2cccs2 271570a_100000742291_100009829405 [0,1,0,0,0,1|2,0,0]=4 1023 B13R2.18 Nc1cnncc1c2ncc[nH]2 271570a_100016988920_100009829405 [0,1,0,0,0,1|2,0,0]=4 1024 B13R2.18 Nc1ncccc1c2cnco2 271570a_100000071976_100020591547 [0,1,0,0,0,1|1,0,1]=4 1025 B13R2.18 Nc1ncccc1c2ncco2 271570a_100000071976_100011787736 [0,1,0,0,0,1|1,0,1]=4 1026 B13R2.18 Nc1ncccc1c2nncs2 271570a_100000071976_100000739804 [0,1,0,0,0,1|0,1,1]=4 1027 B13R2.18 O=c1[nH]cccc1c2cc[nH]n2 271570a_100000062414_100000050042 [0,1,0,0,0,1|1,0,1]=4 1028 B13R2.18 O=c1[nH]cccc1c2cc[nH]n2 271570a_100000099769_100000062575 [0,1,0,0,0,1|1,0,1]=4 1029 B13R2.18 O=c1[nH]cccc1c2ccco2 271570a_100000099769_100009814098 [0,1,0,0,0,1|2,0,0]=4 1030 B13R2.18 O=c1[nH]cccc1c2ccco2 271570a_100000750936_100000050042 [0,1,0,0,0,1|2,0,0]=4 1031 B13R2.18 O=c1[nH]cccc1c2ccsn2 271570a_100000099769_100009818082 [0,1,0,0,0,1|2,0,0]=4 1032 B13R2.18 O=c1[nH]cccc1c2cnco2 271570a_100000099769_100020591547 [0,1,0,0,0,1|1,0,0]=3 1033 B13R2.18 O=c1[nH]cccc1c2cncs2 271570a_100000099769_100011934649 [0,1,0,0,0,1|1,1,0]=4 1034 B13R2.18 O=c1[nH]cccc1c2cncs2 271570a_100010231675_100000050042 [0,1,0,0,0,1|1,1,0]=4 1035 B13R2.18 O=c1[nH]cccc1c2nc[nH]n2 271570a_100000099769_100000761765 [0,1,0,0,0,1|1,0,1]=4 1036 B13R2.18 O=c1[nH]cccc1c2ncc[nH]2 271570a_100000099769_100025796157 [0,1,0,0,0,1|2,0,0]=4 1037 B13R2.18 O=c1[nH]cccc1c2ncc[nH]2 271570a_100016988920_100000050042 [0,1,0,0,0,1|2,0,0]=4 1038 B13R2.18 O=c1[nH]cccc1c2ncco2 271570a_100000099769_100011787736 [0,1,0,0,0,1|1,0,0]=3 1039 B13R2.18 O=c1[nH]cccc1c2nccs2 271570a_100000099769_100000211983 [0,1,0,0,0,1|1,1,0]=4 1040 B13R2.18 O=c1[nH]cccc1c2ncns2 271570a_100000099769_100000693119 [0,1,0,0,0,1|2,0,0]=4 1041 B13R2.18 O=c1[nH]cccc1c2nncs2 271570a_100000099769_100000739804 [0,1,0,0,0,1|0,1,0]=3 1042 B13R2.18 O=c1cc[nH]cc1c2cc[nH]n2 271570a_100000062414_100009998708 [0,1,0,0,0,1|1,0,1]=4 1043 B13R2.18 O=c1cc[nH]cc1c2ccco2 271570a_100000750936_100009998708 [0,1,0,0,0,1|2,0,0]=4 1044 B13R2.18 O=c1cc[nH]cc1c2cncs2 271570a_100010231675_100009998708 [0,1,0,0,0,1|1,1,0]=4 1045 B13R2.18 O=c1cc[nH]cc1c2ncc[nH]2 271570a_100016988920_100009998708 [0,1,0,0,0,1|2,0,0]=4 1046 B13R2.18 Oc1ccccc1c2cnco2 271570a_100000035170_100020591547 [0,1,0,0,0,1|2,0,0]=4 1047 B13R2.18 Oc1ccccc1c2cnco2 271570a_203496583355_100009816723 [0,1,0,0,0,1|2,0,0]=4 1048 B13R2.18 Oc1ccccc1c2ncco2 271570a_100000035170_100011787736 [0,1,0,0,0,1|2,0,0]=4 1049 B13R2.18 Oc1ccccc1c2ncco2 271570a_203496583355_100010188011 [0,1,0,0,0,1|2,0,0]=4 1050 B13R2.18 Oc1ccccc1c2nnco2 271570a_203496583355_100000179026 [0,1,0,0,0,1|1,0,0]=3 1051 B13R2.18 Oc1ccccc1c2nncs2 271570a_100000035170_100000739804 [0,1,0,0,0,1|1,1,0]=4 1052 B13R2.18 S=c1cc[nH]cc1c2cc[nH]n2 271570a_100000062414_200012280681 [0,1,0,0,0,1|1,0,1]=4 1053 B13R2.18 S=c1cc[nH]cc1c2ccco2 271570a_100000750936_200012280681 [0,1,0,0,0,1|2,0,0]=4 1054 B13R2.18 S=c1cc[nH]cc1c2cncs2 271570a_100010231675_200012280681 [0,1,0,0,0,1|1,1,0]=4 1055 B13R2.18 S=c1cc[nH]cc1c2ncc[nH]2 271570a_100016988920_200012280681 [0,1,0,0,0,1|2,0,0]=4 1056 B13R2.29 Brc1ccsc1Sc2cnco2 62a_100012361411_100020591547 [0,1,0,0,0,1|2,0,0]=4 1057 B13R2.29 Brc1ccsc1Sc2cnco2 62a_100020591547_100012361411 [0,1,0,0,0,1|2,0,0]=4 1058 B13R2.29 Brc1ccsc1Sc2ncco2 62a_100011787736_100012361411 [0,1,0,0,0,1|2,0,0]=4 1059 B13R2.29 Brc1ccsc1Sc2ncco2 62a_100012361411_100011787736 [0,1,0,0,0,1|2,0,0]=4 1060 B13R2.29 Brc1ccsc1Sc2nncs2 62a_100000739804_100012361411 [0,1,0,0,0,1|1,1,0]=4 1061 B13R2.29 Brc1ccsc1Sc2nncs2 62a_100012361411_100000739804 [0,1,0,0,0,1|1,1,0]=4 1062 B13R2.29 Cc1ccsc1Sc2cnco2 62a_100010247149_100020591547 [0,1,0,0,0,1|2,0,0]=4 1063 B13R2.29 Cc1ccsc1Sc2cnco2 62a_100020591547_100010247149 [0,1,0,0,0,1|2,0,0]=4 1064 B13R2.29 Cc1ccsc1Sc2ncco2 62a_100010247149_100011787736 [0,1,0,0,0,1|2,0,0]=4 1065 B13R2.29 Cc1ccsc1Sc2ncco2 62a_100011787736_100010247149 [0,1,0,0,0,1|2,0,0]=4 1066 B13R2.29 Cc1ccsc1Sc2nncs2 62a_100000739804_100010247149 [0,1,0,0,0,1|1,1,0]=4 1067 B13R2.29 Cc1ccsc1Sc2nncs2 62a_100010247149_100000739804 [0,1,0,0,0,1|1,1,0]=4 1068 B13R2.29 Clc1nc[nH]c1Sc2cnco2 62a_100010200774_100020591547 [0,1,0,0,0,1|2,0,0]=4 1069 B13R2.29 Clc1nc[nH]c1Sc2cnco2 62a_100020591547_100010200774 [0,1,0,0,0,1|2,0,0]=4 1070 B13R2.29 Clc1nc[nH]c1Sc2ncco2 62a_100010200774_100011787736 [0,1,0,0,0,1|2,0,0]=4 1071 B13R2.29 Clc1nc[nH]c1Sc2ncco2 62a_100011787736_100010200774 [0,1,0,0,0,1|2,0,0]=4 1072 B13R2.29 Clc1nc[nH]c1Sc2nncs2 62a_100000739804_100010200774 [0,1,0,0,0,1|1,1,0]=4 1073 B13R2.29 Clc1nc[nH]c1Sc2nncs2 62a_100010200774_100000739804 [0,1,0,0,0,1|1,1,0]=4 1074 B13R2.29 Cn1ccnc1Sc2cnco2 62a_100000707724_100020591547 [0,1,0,0,0,1|2,0,0]=4 1075 B13R2.29 Cn1ccnc1Sc2cnco2 62a_100020591547_100000707724 [0,1,0,0,0,1|2,0,0]=4 1076 B13R2.29 Cn1ccnc1Sc2ncco2 62a_100000707724_100011787736 [0,1,0,0,0,1|2,0,0]=4 1077 B13R2.29 Cn1ccnc1Sc2ncco2 62a_100011787736_100000707724 [0,1,0,0,0,1|2,0,0]=4 1078 B13R2.29 Cn1ccnc1Sc2nncs2 62a_100000707724_100000739804 [0,1,0,0,0,1|1,1,0]=4 1079 B13R2.29 Cn1ccnc1Sc2nncs2 62a_100000739804_100000707724 [0,1,0,0,0,1|1,1,0]=4 1080 B13R2.29 Cn1cncc1Sc2cnco2 62a_100009814087_100020591547 [0,1,0,0,0,1|2,0,0]=4 1081 B13R2.29 Cn1cncc1Sc2cnco2 62a_100020591547_100009814087 [0,1,0,0,0,1|2,0,0]=4 1082 B13R2.29 Cn1cncc1Sc2ncco2 62a_100009814087_100011787736 [0,1,0,0,0,1|2,0,0]=4 1083 B13R2.29 Cn1cncc1Sc2ncco2 62a_100011787736_100009814087 [0,1,0,0,0,1|2,0,0]=4 1084 B13R2.29 Cn1cncc1Sc2nncs2 62a_100000739804_100009814087 [0,1,0,0,0,1|1,1,0]=4 1085 B13R2.29 Cn1cncc1Sc2nncs2 62a_100009814087_100000739804 [0,1,0,0,0,1|1,1,0]=4 1086 B13R2.29 Cn1nccc1Sc2cnco2 62a_100000688441_100020591547 [0,1,0,0,0,1|2,0,0]=4 1087 B13R2.29 Cn1nccc1Sc2cnco2 62a_100020591547_100000688441 [0,1,0,0,0,1|2,0,0]=4 1088 B13R2.29 Cn1nccc1Sc2ncco2 62a_100000688441_100011787736 [0,1,0,0,0,1|2,0,0]=4 1089 B13R2.29 Cn1nccc1Sc2ncco2 62a_100011787736_100000688441 [0,1,0,0,0,1|2,0,0]=4 1090 B13R2.29 Cn1nccc1Sc2nncs2 62a_100000688441_100000739804 [0,1,0,0,0,1|1,1,0]=4 1091 B13R2.29 Cn1nccc1Sc2nncs2 62a_100000739804_100000688441 [0,1,0,0,0,1|1,1,0]=4 1092 B13R2.142 Brc1cc([nH]n1)Sc2cnco2 62a_100020591547_100160470719 [0,1,0,0,0,1|2,0,0]=4 1093 B13R2.142 Brc1cc([nH]n1)Sc2cnco2 62a_100160470719_100020591547 [0,1,0,0,0,1|2,0,0]=4 1094 B13R2.142 Brc1cc([nH]n1)Sc2ncco2 62a_100011787736_100160470719 [0,1,0,0,0,1|2,0,0]=4 1095 B13R2.142 Brc1cc([nH]n1)Sc2ncco2 62a_100160470719_100011787736 [0,1,0,0,0,1|2,0,0]=4 1096 B13R2.142 Brc1cc([nH]n1)Sc2nncs2 62a_100000739804_100160470719 [0,1,0,0,0,1|1,1,0]=4 1097 B13R2.142 Brc1cc([nH]n1)Sc2nncs2 62a_100160470719_100000739804 [0,1,0,0,0,1|1,1,0]=4 1098 B13R2.142 Brc1ccc(s1)Sc2cnco2 62a_100010197418_100020591547 [0,1,0,0,0,1|2,0,0]=4 1099 B13R2.142 Brc1ccc(s1)Sc2cnco2 62a_100020591547_100010197418 [0,1,0,0,0,1|2,0,0]=4 1100 B13R2.142 Brc1ccc(s1)Sc2ncco2 62a_100010197418_100011787736 [0,1,0,0,0,1|2,0,0]=4 1101 B13R2.142 Brc1ccc(s1)Sc2ncco2 62a_100011787736_100010197418 [0,1,0,0,0,1|2,0,0]=4 1102 B13R2.142 Brc1ccc(s1)Sc2nncs2 62a_100000739804_100010197418 [0,1,0,0,0,1|1,1,0]=4 1103 B13R2.142 Brc1ccc(s1)Sc2nncs2 62a_100010197418_100000739804 [0,1,0,0,0,1|1,1,0]=4 1104 B13R2.142 Cc1c[nH]c(n1)Sc2cnco2 62a_100020591547_100161115468 [0,1,0,0,0,1|2,0,0]=4 1105 B13R2.142 Cc1c[nH]c(n1)Sc2cnco2 62a_100161115468_100020591547 [0,1,0,0,0,1|2,0,0]=4 1106 B13R2.142 Cc1c[nH]c(n1)Sc2ncco2 62a_100011787736_100161115468 [0,1,0,0,0,1|2,0,0]=4 1107 B13R2.142 Cc1c[nH]c(n1)Sc2ncco2 62a_100161115468_100011787736 [0,1,0,0,0,1|2,0,0]=4 1108 B13R2.142 Cc1c[nH]c(n1)Sc2nncs2 62a_100000739804_100161115468 [0,1,0,0,0,1|1,1,0]=4 1109 B13R2.142 Cc1c[nH]c(n1)Sc2nncs2 62a_100161115468_100000739804 [0,1,0,0,0,1|1,1,0]=4 1110 B13R2.142 Cc1ccc(s1)Sc2cnco2 62a_100000031368_100020591547 [0,1,0,0,0,1|2,0,0]=4 1111 B13R2.142 Cc1ccc(s1)Sc2cnco2 62a_100020591547_100000031368 [0,1,0,0,0,1|2,0,0]=4 1112 B13R2.142 Cc1ccc(s1)Sc2ncco2 62a_100000031368_100011787736 [0,1,0,0,0,1|2,0,0]=4 1113 B13R2.142 Cc1ccc(s1)Sc2ncco2 62a_100011787736_100000031368 [0,1,0,0,0,1|2,0,0]=4 1114 B13R2.142 Cc1ccc(s1)Sc2nncs2 62a_100000031368_100000739804 [0,1,0,0,0,1|1,1,0]=4 1115 B13R2.142 Cc1ccc(s1)Sc2nncs2 62a_100000739804_100000031368 [0,1,0,0,0,1|1,1,0]=4 1116 B13R2.142 Cc1csc(c1)Sc2cnco2 62a_100009876951_100020591547 [0,1,0,0,0,1|2,0,0]=4 1117 B13R2.142 Cc1csc(c1)Sc2cnco2 62a_100020591547_100009876951 [0,1,0,0,0,1|2,0,0]=4 1118 B13R2.142 Cc1csc(c1)Sc2ncco2 62a_100009876951_100011787736 [0,1,0,0,0,1|2,0,0]=4 1119 B13R2.142 Cc1csc(c1)Sc2ncco2 62a_100011787736_100009876951 [0,1,0,0,0,1|2,0,0]=4 1120 B13R2.142 Cc1csc(c1)Sc2nncs2 62a_100000739804_100009876951 [0,1,0,0,0,1|1,1,0]=4 1121 B13R2.142 Cc1csc(c1)Sc2nncs2 62a_100009876951_100000739804 [0,1,0,0,0,1|1,1,0]=4 1122 B13R2.142 Cc1nc(no1)Cc2ccc[nH]2 270196a_100000744935_100000070787 [0,1,0,0,0,1|2,0,0]=4 1123 B13R2.142 Cc1nnc(o1)Sc2c[nH]cn2 62a_100000756875_100000708914 [0,1,0,0,0,1|1,0,1]=4 1124 B13R2.142 Cc1nnc(o1)Sc2cc[nH]n2 62a_100000062575_100000708914 [0,1,0,0,0,1|1,0,1]=4 1125 B13R2.142 Cc1nnc(o1)Sc2ccco2 62a_100009814098_100000708914 [0,1,0,0,0,1|1,0,0]=3 1126 B13R2.142 Cc1nnc(o1)Sc2cccs2 62a_100011215356_100000708914 [0,1,0,0,0,1|1,0,0]=3 1127 B13R2.142 Cc1nnc(o1)Sc2ccoc2 62a_100011215275_100000708914 [0,1,0,0,0,1|2,0,0]=4 1128 B13R2.142 Cc1nnc(o1)Sc2ccon2 62a_100009818083_100000708914 [0,1,0,0,0,1|1,0,1]=4 1129 B13R2.142 Cc1nnc(o1)Sc2ccsc2 62a_100000738268_100000708914 [0,1,0,0,0,1|2,0,0]=4 1130 B13R2.142 Cc1nnc(o1)Sc2ccsn2 62a_100009818082_100000708914 [0,1,0,0,0,1|1,0,1]=4 1131 B13R2.142 Cc1nnc(o1)Sc2cnco2 62a_100020591547_100000708914 [0,1,0,0,0,1|2,0,0]=4 1132 B13R2.142 Cc1nnc(o1)Sc2cncs2 62a_100011934649_100000708914 [0,1,0,0,0,1|2,0,0]=4 1133 B13R2.142 Cc1nnc(o1)Sc2cscn2 62a_100000751502_100000708914 [0,1,0,0,0,1|1,0,1]=4 1134 B13R2.142 Cc1nnc(o1)Sc2ncc[nH]2 62a_100025796157_100000708914 [0,1,0,0,0,1|1,0,0]=3 1135 B13R2.142 Cc1nnc(o1)Sc2ncco2 62a_100011787736_100000708914 [0,1,0,0,0,1|1,0,1]=4 1136 B13R2.142 Cc1nnc(o1)Sc2nccs2 62a_100000211983_100000708914 [0,1,0,0,0,1|1,0,1]=4 1137 B13R2.142 Cc1nnc(s1)Sc2ccco2 62a_100000686958_100009814098 [0,1,0,0,0,1|1,1,0]=4 1138 B13R2.142 Cc1nnc(s1)Sc2ccco2 62a_100009814098_100000686958 [0,1,0,0,0,1|1,1,0]=4 1139 B13R2.142 Cc1nnc(s1)Sc2cccs2 62a_100000686958_100011215356 [0,1,0,0,0,1|1,1,0]=4 1140 B13R2.142 Cc1nnc(s1)Sc2cccs2 62a_100011215356_100000686958 [0,1,0,0,0,1|1,1,0]=4 1141 B13R2.142 Cc1nnc(s1)Sc2ncc[nH]2 62a_100000686958_100025796157 [0,1,0,0,0,1|1,1,0]=4 1142 B13R2.142 Cc1nnc(s1)Sc2ncc[nH]2 62a_100025796157_100000686958 [0,1,0,0,0,1|1,1,0]=4 1143 B13R2.142 Cc1noc(n1)Cc2ccc[nH]2 270196a_100000212224_100000238377 [0,1,0,0,0,1|2,0,0]=4 1144 B13R2.142 Nc1nnc(s1)Sc2ccco2 62a_100000738278_100009814098 [0,1,0,0,0,1|1,1,0]=4 1145 B13R2.142 Nc1nnc(s1)Sc2ccco2 62a_100009814098_100000738278 [0,1,0,0,0,1|1,1,0]=4 1146 B13R2.142 Nc1nnc(s1)Sc2cccs2 62a_100000738278_100011215356 [0,1,0,0,0,1|1,1,0]=4 1147 B13R2.142 Nc1nnc(s1)Sc2cccs2 62a_100011215356_100000738278 [0,1,0,0,0,1|1,1,0]=4 1148 B13R2.142 Nc1nnc(s1)Sc2ncc[nH]2 62a_100000738278_100025796157 [0,1,0,0,0,1|1,1,0]=4 1149 B13R2.142 Nc1nnc(s1)Sc2ncc[nH]2 62a_100025796157_100000738278 [0,1,0,0,0,1|1,1,0]=4 1150 B13R2.142 Oc1nc(no1)Cc2ccc[nH]2 270196a_100000744935_100015183105 [0,1,0,0,0,1|2,0,0]=4 1151 B13R2.4 CCc1csc(c1)c2cnco2 271570a_100009871738_100020591547 [0,2,0,0,0,0|2,0,0]=4 1152 B13R2.4 CCc1csc(c1)c2ncco2 271570a_100009871738_100011787736 [0,2,0,0,0,0|2,0,0]=4 1153 B13R2.4 CCc1csc(c1)c2nncs2 271570a_100009871738_100000739804 [0,2,0,0,0,0|1,1,0]=4 1154 B13R2.4 CCc1nc(no1)c2ccc[nH]2 270196a_100000764488_100000210414 [0,2,0,0,0,0|2,0,0]=4 1155 B13R2.4 CNc1nnc(s1)c2ccco2 271570a_100000750936_200012111945 [0,2,0,0,0,0|1,1,0]=4 1156 B13R2.4 CNc1nnc(s1)c2cccs2 271570a_100000742291_200012111945 [0,2,0,0,0,0|1,1,0]=4 1157 B13R2.4 CNc1nnc(s1)c2ncc[nH]2 271570a_100016988920_200012111945 [0,2,0,0,0,0|1,1,0]=4 1158 B13R2.4 COc1csc(c1)c2cnco2 271570a_100010068968_100020591547 [0,2,0,0,0,0|2,0,0]=4 1159 B13R2.4 COc1csc(c1)c2ncco2 271570a_100010068968_100011787736 [0,2,0,0,0,0|2,0,0]=4 1160 B13R2.4 COc1csc(c1)c2nncs2 271570a_100010068968_100000739804 [0,2,0,0,0,0|1,1,0]=4 1161 B13R2.4 N#Cc1ccc(s1)c2cnco2 271570a_100000035585_100020591547 [0,2,0,0,0,0|2,0,0]=4 1162 B13R2.4 N#Cc1ccc(s1)c2ncco2 271570a_100000035585_100011787736 [0,2,0,0,0,0|2,0,0]=4 1163 B13R2.4 N#Cc1ccc(s1)c2nncs2 271570a_100000035585_100000739804 [0,2,0,0,0,0|1,1,0]=4 1164 B13R2.4 O=Cc1c[nH]c(c1)c2cc[nH]n2 271570a_100000062414_100009882863 [0,2,0,0,0,0|1,0,1]=4 1165 B13R2.4 O=Cc1c[nH]c(c1)c2ccco2 271570a_100000750936_100009882863 [0,2,0,0,0,0|2,0,0]=4 1166 B13R2.4 O=Cc1c[nH]c(c1)c2cncs2 271570a_100010231675_100009882863 [0,2,0,0,0,0|1,1,0]=4 1167 B13R2.4 O=Cc1c[nH]c(c1)c2ncc[nH]2 271570a_100016988920_100009882863 [0,2,0,0,0,0|2,0,0]=4 1168 B13R2.4 O=Cc1ccc(o1)c2cnco2 271570a_100000034841_100020591547 [0,2,0,0,0,0|2,0,0]=4 1169 B13R2.4 O=Cc1ccc(o1)c2ncco2 271570a_100000034841_100011787736 [0,2,0,0,0,0|2,0,0]=4 1170 B13R2.4 O=Cc1ccc(o1)c2nncs2 271570a_100000034841_100000739804 [0,2,0,0,0,0|1,1,0]=4 1171 B13R2.4 O=Cc1ccc(s1)c2cnco2 271570a_100000033420_100020591547 [0,2,0,0,0,0|2,0,0]=4 1172 B13R2.4 O=Cc1ccc(s1)c2ncco2 271570a_100000033420_100011787736 [0,2,0,0,0,0|2,0,0]=4 1173 B13R2.4 O=Cc1ccc(s1)c2nncs2 271570a_100000033420_100000739804 [0,2,0,0,0,0|1,1,0]=4 1174 B13R2.4 O=Cc1coc(c1)c2cnco2 271570a_200000066965_100020591547 [0,2,0,0,0,0|2,0,0]=4 1175 B13R2.4 O=Cc1coc(c1)c2ncco2 271570a_200000066965_100011787736 [0,2,0,0,0,0|2,0,0]=4 1176 B13R2.4 O=Cc1coc(c1)c2nncs2 271570a_200000066965_100000739804 [0,2,0,0,0,0|1,1,0]=4 1177 B13R2.4 OCc1ccc(o1)c2cnco2 271570a_200000079978_100020591547 [0,2,0,0,0,0|2,0,0]=4 1178 B13R2.4 OCc1ccc(o1)c2ncco2 271570a_200000079978_100011787736 [0,2,0,0,0,0|2,0,0]=4 1179 B13R2.4 OCc1ccc(o1)c2nncs2 271570a_200000079978_100000739804 [0,2,0,0,0,0|1,1,0]=4 1180 B13R2.4 OCc1ccc(s1)c2cnco2 271570a_100010143978_100020591547 [0,2,0,0,0,0|2,0,0]=4 1181 B13R2.4 OCc1ccc(s1)c2ncco2 271570a_100010143978_100011787736 [0,2,0,0,0,0|2,0,0]=4 1182 B13R2.4 OCc1ccc(s1)c2nncs2 271570a_100010143978_100000739804 [0,2,0,0,0,0|1,1,0]=4 1183 B13R2.4 OCc1nc(no1)c2ccc[nH]2 270196a_100000764488_100000210174 [0,2,0,0,0,0|2,0,0]=4 1184 B13R2.11 Cc1cc(n[nH]1)c2nnc(o2)C 271570a_100009872134_100000708914 [0,2,0,0,0,0|1,0,1]=4 1185 B13R2.11 Cc1ccc([nH]1)c2noc(n2)C 270196a_100009830067_100000070787 [0,2,0,0,0,0|2,0,0]=4 1186 B13R2.11 Cc1ccc([nH]1)c2noc(n2)O 270196a_100009830067_100015183105 [0,2,0,0,0,0|2,0,0]=4 1187 B13R2.11 Cc1ccc(o1)c2nnc(o2)C 271570a_100000061910_100000708914 [0,2,0,0,0,0|1,0,0]=3 1188 B13R2.11 Cc1ccc(o1)c2nnc(s2)C 271570a_100000061910_100000686958 [0,2,0,0,0,0|1,1,0]=4 1189 B13R2.11 Cc1ccc(o1)c2nnc(s2)N 271570a_100000061910_100000738278 [0,2,0,0,0,0|1,1,0]=4 1190 B13R2.11 Cc1ccc(s1)c2nnc(s2)C 271570a_100011934456_100000686958 [0,2,0,0,0,0|1,1,0]=4 1191 B13R2.11 Cc1ccc(s1)c2nnc(s2)N 271570a_100011934456_100000738278 [0,2,0,0,0,0|1,1,0]=4 1192 B13R2.11 Cc1csc(c1)c2nnc(o2)C 271570a_100000038307_100000708914 [0,2,0,0,0,0|1,0,0]=3 1193 B13R2.11 Cc1csc(c1)c2nnc(s2)C 271570a_100000038307_100000686958 [0,2,0,0,0,0|1,1,0]=4 1194 B13R2.11 Cc1csc(c1)c2nnc(s2)N 271570a_100000038307_100000738278 [0,2,0,0,0,0|1,1,0]=4 1195 B13R2.11 Cc1nc(no1)c2cc(c[nH]2)Br 270196a_100009952751_100000070787 [0,2,0,0,0,0|2,0,0]=4 1196 B13R2.11 Cc1nnc(o1)C2=CC(=O)CC2 271570a_100010737933_100000708914 [0,2,0,0,0,0|1,0,1]=4 1197 B13R2.11 Cc1nnc(o1)c2ccc(s2)C 271570a_100011934456_100000708914 [0,2,0,0,0,0|1,0,0]=3 1198 B13R2.11 Cc1nnc(o1)c2ccc(s2)Cl 271570a_100000708867_100000708914 [0,2,0,0,0,0|1,0,0]=3 1199 B13R2.11 Cc1nnc(o1)c2ccn(c2)C 271570a_100010172022_100000708914 [0,2,0,0,0,0|2,0,0]=4 1200 B13R2.11 Cc1nnc(o1)c2ccn(n2)C 271570a_100012348833_100000708914 [0,2,0,0,0,0|1,0,1]=4 1201 B13R2.11 Cc1nnc(o1)c2cnc(s2)C 271570a_100000696845_100000708914 [0,2,0,0,0,0|2,0,0]=4 1202 B13R2.11 Cc1nnc(o1)c2csc(c2)C 271570a_100000699828_100000708914 [0,2,0,0,0,0|2,0,0]=4 1203 B13R2.11 Cc1nnc(s1)c2ccc(s2)Cl 271570a_100000708867_100000686958 [0,2,0,0,0,0|1,1,0]=4 1204 B13R2.11 Nc1nnc(s1)c2ccc(s2)Cl 271570a_100000708867_100000738278 [0,2,0,0,0,0|1,1,0]=4 1205 B13R2.11 Oc1nc(no1)c2cc(c[nH]2)Br 270196a_100009952751_100015183105 [0,2,0,0,0,0|2,0,0]=4 1206 B13R2.144 Cc1c[nH]c(n1)c2cccn2C 271570a_100000068268_100161115468 [0,2,0,0,0,0|2,0,0]=4 1207 B13R2.144 Cc1cc(n[nH]1)c2cccn2C 271570a_100000068268_100015199547 [0,2,0,0,0,0|1,0,1]=4 1208 B13R2.144 Cc1cc(sn1)c2cccn2C 271570a_100000068268_100009815735 [0,2,0,0,0,0|2,0,0]=4 1209 B13R2.144 Cc1ccsc1c2nnc(s2)N 271570a_100000734444_100000738278 [0,2,0,0,0,0|1,1,0]=4 1210 B13R2.144 Cc1cnc(s1)c2cccn2C 271570a_100000068268_100000690809 [0,2,0,0,0,0|1,1,0]=4 1211 B13R2.144 Cc1csc(n1)c2cccn2C 271570a_100000068268_100011291629 [0,2,0,0,0,0|1,1,0]=4 1212 B13R2.144 Cc1nc(n[nH]1)c2cccn2C 271570a_100000068268_100000732540 [0,2,0,0,0,0|1,0,1]=4 1213 B13R2.144 Cc1nc(no1)c2cccn2C 270196a_100000181993_100000070787 [0,2,0,0,0,0|2,0,0]=4 1214 B13R2.144 Cc1nc(no1)c2cccn2C 271570a_100000068268_100012003639 [0,2,0,0,0,0|2,0,0]=4 1215 B13R2.144 Cc1ncc(s1)c2cccn2C 271570a_100000068268_100000764884 [0,2,0,0,0,0|1,1,0]=4 1216 B13R2.144 Cc1nnc(o1)c2cccn2C 271570a_100000068268_100000708914 [0,2,0,0,0,0|0,0,0]=2 1217 B13R2.144 Cc1nnc(o1)c2ccnn2C 271570a_100000707534_100000708914 [0,2,0,0,0,0|1,0,0]=3 1218 B13R2.144 Cc1nnc(o1)c2ccoc2C 271570a_100000070625_100000708914 [0,2,0,0,0,0|2,0,0]=4 1219 B13R2.144 Cc1nnc(o1)c2ccsc2C 271570a_100012356473_100000708914 [0,2,0,0,0,0|2,0,0]=4 1220 B13R2.144 Cc1nnc(o1)c2ccsc2Cl 271570a_100000117213_100000708914 [0,2,0,0,0,0|2,0,0]=4 1221 B13R2.144 Cc1nnc(o1)c2cncn2C 271570a_100009892668_100000708914 [0,2,0,0,0,0|1,0,0]=3 1222 B13R2.144 Cc1nnc(o1)c2cscc2C 271570a_100000069996_100000708914 [0,2,0,0,0,0|2,0,0]=4 1223 B13R2.144 Cc1nnc(o1)c2n[nH]cc2C 271570a_100102527747_100000708914 [0,2,0,0,0,0|1,0,1]=4 1224 B13R2.144 Cc1nnc(o1)c2sccc2C 271570a_100000734444_100000708914 [0,2,0,0,0,0|1,0,0]=3 1225 B13R2.144 Cc1nnc(o1)c2scnc2C 271570a_100010115231_100000708914 [0,2,0,0,0,0|2,0,0]=4 1226 B13R2.144 Cc1nnc(s1)c2cccn2C 271570a_100000068268_100000686958 [0,2,0,0,0,0|0,1,0]=3 1227 B13R2.144 Cc1nnc(s1)c2ccnn2C 271570a_100000707534_100000686958 [0,2,0,0,0,0|1,1,0]=4 1228 B13R2.144 Cc1nnc(s1)c2cncn2C 271570a_100009892668_100000686958 [0,2,0,0,0,0|1,1,0]=4 1229 B13R2.144 Cc1nnc(s1)c2sccc2C 271570a_100000734444_100000686958 [0,2,0,0,0,0|1,1,0]=4 1230 B13R2.144 Cc1nsc(n1)c2cccn2C 271570a_100000068268_100000709739 [0,2,0,0,0,0|2,0,0]=4 1231 B13R2.144 Cn1cc(nn1)c2cccn2C 271570a_100000068268_100000760339 [0,2,0,0,0,0|2,0,0]=4 1232 B13R2.144 Cn1ccc(n1)c2cccn2C 271570a_100000068268_100000752436 [0,2,0,0,0,0|1,0,1]=4 1233 B13R2.144 Cn1cccc1c2cc([nH]n2)N 271570a_100000068268_100009822546 [0,2,0,0,0,0|1,0,1]=4 1234 B13R2.144 Cn1cccc1c2cc(n[nH]2)Br 271570a_100000068268_100160470719 [0,2,0,0,0,0|1,0,1]=4 1235 B13R2.144 Cn1cccc1c2n[nH]c(n2)N 271570a_100000068268_100015184587 [0,2,0,0,0,0|1,0,1]=4 1236 B13R2.144 Cn1cccc1c2nc(cs2)Br 271570a_100000068268_200016082925 [0,2,0,0,0,0|1,1,0]=4 1237 B13R2.144 Cn1cccc1c2nc(cs2)N 271570a_100000068268_200015188442 [0,2,0,0,0,0|1,1,0]=4 1238 B13R2.144 Cn1cccc1c2nnc(s2)N 271570a_100000068268_100000738278 [0,2,0,0,0,0|0,1,0]=3 1239 B13R2.144 Cn1cccc1c2noc(n2)O 270196a_100000181993_100015183105 [0,2,0,0,0,0|2,0,0]=4 1240 B13R2.144 Cn1cnc(n1)c2cccn2C 271570a_100000068268_100009819955 [0,2,0,0,0,0|1,0,1]=4 1241 B13R2.144 Cn1cncc1c2nnc(s2)N 271570a_100009892668_100000738278 [0,2,0,0,0,0|1,1,0]=4 1242 B13R2.144 Cn1nccc1c2nnc(s2)N 271570a_100000707534_100000738278 [0,2,0,0,0,0|1,1,0]=4 1243 B13R2.144 Cn1nnc(n1)c2cccn2C 271570a_100000068268_200009870515 [0,2,0,0,0,0|2,0,0]=4 1244 B13R2.149 Cc1cc(sc1Cl)c2cnco2 271570a_202125692827_100020591547 [0,2,0,0,0,0|2,0,0]=4 1245 B13R2.149 Cc1cc(sc1Cl)c2ncco2 271570a_202125692827_100011787736 [0,2,0,0,0,0|2,0,0]=4 1246 B13R2.149 Cc1cc(sc1Cl)c2nncs2 271570a_202125692827_100000739804 [0,2,0,0,0,0|1,1,0]=4 1247 B13R2.2348 Cn1c(cnc1Cl)c2cnco2 271570a_100000070314_100020591547 [0,2,0,0,0,0|2,0,0]=4 1248 B13R2.2348 Cn1c(cnc1Cl)c2ncco2 271570a_100000070314_100011787736 [0,2,0,0,0,0|2,0,0]=4 1249 B13R2.2348 Cn1c(cnc1Cl)c2nncs2 271570a_100000070314_100000739804 [0,2,0,0,0,0|1,1,0]=4 1250 B13R2.4666 Cc1cc(n(n1)C)c2cnco2 271570a_100010162543_100020591547 [0,2,0,0,0,0|2,0,0]=4 1251 B13R2.4666 Cc1cc(n(n1)C)c2ncco2 271570a_100010162543_100011787736 [0,2,0,0,0,0|2,0,0]=4 1252 B13R2.4666 Cc1cc(n(n1)C)c2nncs2 271570a_100010162543_100000739804 [0,2,0,0,0,0|1,1,0]=4 1253 B13R2.61 CCn1nccc1c2cnco2 271570a_100000701364_100020591547 [0,2,0,0,0,0|2,0,0]=4 1254 B13R2.61 CCn1nccc1c2ncco2 271570a_100000701364_100011787736 [0,2,0,0,0,0|2,0,0]=4 1255 B13R2.61 CCn1nccc1c2nncs2 271570a_100000701364_100000739804 [0,2,0,0,0,0|1,1,0]=4 1256 B13R2.61 COc1ccsc1c2cnco2 271570a_100000069662_100020591547 [0,2,0,0,0,0|2,0,0]=4 1257 B13R2.61 COc1ccsc1c2ncco2 271570a_100000069662_100011787736 [0,2,0,0,0,0|2,0,0]=4 1258 B13R2.61 COc1ccsc1c2nncs2 271570a_100000069662_100000739804 [0,2,0,0,0,0|1,1,0]=4 1259 B13R2.61 O=Cc1ccoc1c2cnco2 271570a_200000039635_100020591547 [0,2,0,0,0,0|2,0,0]=4 1260 B13R2.61 O=Cc1ccoc1c2ncco2 271570a_200000039635_100011787736 [0,2,0,0,0,0|2,0,0]=4 1261 B13R2.61 O=Cc1ccoc1c2nncs2 271570a_200000039635_100000739804 [0,2,0,0,0,0|1,1,0]=4 1262 B13R2.61 O=Cc1ccsc1c2cnco2 271570a_100000034323_100020591547 [0,2,0,0,0,0|2,0,0]=4 1263 B13R2.61 O=Cc1ccsc1c2ncco2 271570a_100000034323_100011787736 [0,2,0,0,0,0|2,0,0]=4 1264 B13R2.61 O=Cc1ccsc1c2nncs2 271570a_100000034323_100000739804 [0,2,0,0,0,0|1,1,0]=4 1265 B13R2.181 Cc1c[nH]nc1c2cccn2C 271570a_100000068268_100009871783 [0,2,0,0,0,0|1,0,1]=4 1266 B13R2.181 Cc1ncsc1c2cccn2C 271570a_100000068268_100009817116 [0,2,0,0,0,0|1,1,0]=4 1267 B13R2.181 Cn1cccc1c2[nH]cnc2Cl 271570a_100000068268_100010200774 [0,2,0,0,0,0|2,0,0]=4 1268 B13R2.181 Cn1cccc1c2ccnn2C 271570a_100000068268_100000688441 [0,2,0,0,0,0|1,0,1]=4 1269 B13R2.181 Cn1cccc1c2cncn2C 271570a_100000068268_100009814087 [0,2,0,0,0,0|2,0,0]=4 1270 B13R2.181 Cn1cccc1c2n[nH]cc2Br 271570a_100000068268_100015839836 [0,2,0,0,0,0|1,0,1]=4 1271 B13R2.181 Cn1cccc1c2n[nH]cc2N 271570a_100000068268_100010894806 [0,2,0,0,0,0|1,0,1]=4 1272 B13R2.181 Cn1cccc1c2nccn2C 271570a_100000068268_100000707724 [0,2,0,0,0,0|2,0,0]=4 1273 B13R2.181 Cn1cccc1c2ncnn2C 271570a_100000068268_100000732653 [0,2,0,0,0,0|1,0,1]=4 1274 B13R2.3042 Cc1cnn(c1c2cnco2)C 271570a_100010063681_100020591547 [0,2,0,0,0,0|2,0,0]=4 1275 B13R2.3042 Cc1cnn(c1c2ncco2)C 271570a_100010063681_100011787736 [0,2,0,0,0,0|2,0,0]=4 1276 B13R2.3042 Cc1cnn(c1c2nncs2)C 271570a_100010063681_100000739804 [0,2,0,0,0,0|1,1,0]=4 1277 B11R2.106 Oc1cccc2c1[nH]cc2 271570a_203496583355_100009813418 [0,0,1,1,0,0|2,0,0]=4 1278 B11R2.106 Oc1cccc2c1ocn2 271570a_203496583355_100000728214 [0,0,1,1,0,0|2,0,0]=4 1279 B11R2.106 Oc1cccn2c1nnc2 271570a_203496583355_100000764285 [0,0,1,1,0,0|2,0,0]=4 1280 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,0,1,1,0,0|2,0,0]=4 1281 B11R2.106 Oc1cncc2c1[nH]cc2 271570a_203496583355_100000217057 [0,0,1,1,0,0|1,0,0]=3 1282 B11R2.106 Oc1cncc2c1[nH]cn2 271570a_203496583355_100000759552 [0,0,1,1,0,0|2,0,0]=4 1283 B11R2.106 Oc1cncc2c1[nH]nc2 271570a_203496583355_100009857261 [0,0,1,1,0,0|2,0,0]=4 1284 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [0,0,1,1,0,0|1,0,0]=3 1285 B11R2.106 Oc1nccc2c1[nH]nc2 271570a_203496583355_100009852419 [0,0,1,1,0,0|2,0,0]=4 1286 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [0,0,1,1,0,0|2,0,0]=4 1287 B11R2.106 Oc1nccn2c1ccc2 271570a_203496583355_100000094558 [0,0,1,1,0,0|1,0,0]=3 1288 B11R2.106 Oc1nccn2c1ccn2 271570a_203496583355_100009846796 [0,0,1,1,0,0|2,0,0]=4 1289 B11R2.106 Oc1nccn2c1cnc2 271570a_203496583355_100009989554 [0,0,1,1,0,0|2,0,0]=4 1290 B11R2.106 Oc1nccn2c1ncc2 271570a_203496583355_100009887225 [0,0,1,1,0,0|2,0,0]=4 1291 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [0,0,1,1,0,0|2,0,0]=4 1292 B11R2.106 Oc1ncnn2c1ccc2 271570a_203496583355_100000104113 [0,0,1,1,0,0|2,0,0]=4 1293 B13R2.3 c1cc(ccn1)c2ccncn2 271570a_100000752145_100000703185 [0,0,0,0,0,2|2,0,0]=4 1294 B13R2.3 c1cc(ccn1)c2ccnnc2 271570a_100000752145_100000732662 [0,0,0,0,0,2|2,0,0]=4 1295 B13R2.3 c1cc(ncn1)c2cnccn2 271570a_100011962566_100000703185 [0,0,0,0,0,2|1,0,1]=4 1296 B13R2.3 c1ccc(cc1)c2cccnn2 271570a_100011218836_100016991348 [0,0,0,0,0,2|2,0,0]=4 1297 B13R2.3 c1ccc(cc1)c2ccncn2 271570a_100011218836_100000703185 [0,0,0,0,0,2|2,0,0]=4 1298 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [0,0,0,0,0,2|2,0,0]=4 1299 B13R2.3 c1ccc(nc1)c2cccnn2 271570a_100011264011_100016991348 [0,0,0,0,0,2|1,0,1]=4 1300 B13R2.3 c1ccc(nc1)c2ccncn2 271570a_100011264011_100000703185 [0,0,0,0,0,2|1,0,1]=4 1301 B13R2.3 c1ccc(nc1)c2ccnnc2 271570a_100011264011_100000732662 [0,0,0,0,0,2|1,0,1]=4 1302 B13R2.3 c1cnc(cn1)c2ccnnc2 271570a_100011962566_100000732662 [0,0,0,0,0,2|1,0,1]=4 1303 B13R2.3 c1cncc(c1)c2cccnn2 271570a_100000757648_100016991348 [0,0,0,0,0,2|1,0,1]=4 1304 B13R2.3 c1cncc(c1)c2ccncn2 271570a_100000757648_100000703185 [0,0,0,0,0,2|1,0,1]=4 1305 B13R2.3 c1cncc(c1)c2ccnnc2 271570a_100000757648_100000732662 [0,0,0,0,0,2|1,0,1]=4 1306 B13R2.3 c1cnnc(c1)c2ccncc2 271570a_100000752145_100016991348 [0,0,0,0,0,2|2,0,0]=4 1307 B13R2.3 c1cnnc(c1)c2cnccn2 271570a_100011962566_100016991348 [0,0,0,0,0,2|1,0,1]=4 1308 B13R2.64 c1cc(ccn1)Sc2cnco2 62a_100000728582_100020591547 [0,0,0,0,0,2|2,0,0]=4 1309 B13R2.64 c1cc(ccn1)Sc2cnco2 62a_100020591547_100000728582 [0,0,0,0,0,2|2,0,0]=4 1310 B13R2.64 c1cc(ccn1)Sc2ncco2 62a_100000728582_100011787736 [0,0,0,0,0,2|2,0,0]=4 1311 B13R2.64 c1cc(ccn1)Sc2ncco2 62a_100011787736_100000728582 [0,0,0,0,0,2|2,0,0]=4 1312 B13R2.64 c1cc(ccn1)Sc2nncs2 62a_100000728582_100000739804 [0,0,0,0,0,2|1,1,0]=4 1313 B13R2.64 c1cc(ccn1)Sc2nncs2 62a_100000739804_100000728582 [0,0,0,0,0,2|1,1,0]=4 1314 B13R2.64 c1cc(cnn1)Sc2ncc[nH]2 62a_100000732662_100025796157 [0,0,0,0,0,2|2,0,0]=4 1315 B13R2.64 c1cc(cnn1)Sc2ncc[nH]2 62a_100025796157_100000732662 [0,0,0,0,0,2|2,0,0]=4 1316 B13R2.64 c1cc(ncn1)Sc2cnco2 62a_100000703185_100020591547 [0,0,0,0,0,2|1,0,1]=4 1317 B13R2.64 c1cc(ncn1)Sc2cnco2 62a_100020591547_100000703185 [0,0,0,0,0,2|1,0,1]=4 1318 B13R2.64 c1cc(ncn1)Sc2ncc[nH]2 62a_100000703185_100025796157 [0,0,0,0,0,2|2,0,0]=4 1319 B13R2.64 c1cc(ncn1)Sc2ncc[nH]2 62a_100025796157_100000703185 [0,0,0,0,0,2|2,0,0]=4 1320 B13R2.64 c1cc(ncn1)Sc2ncco2 62a_100000703185_100011787736 [0,0,0,0,0,2|1,0,1]=4 1321 B13R2.64 c1cc(ncn1)Sc2ncco2 62a_100011787736_100000703185 [0,0,0,0,0,2|1,0,1]=4 1322 B13R2.64 c1cc(ncn1)Sc2nncs2 62a_100000703185_100000739804 [0,0,0,0,0,2|0,1,1]=4 1323 B13R2.64 c1cc(ncn1)Sc2nncs2 62a_100000739804_100000703185 [0,0,0,0,0,2|0,1,1]=4 1324 B13R2.64 c1ccc(cc1)Nc2nncs2 27a_100000106764_100000739804 [0,0,0,0,0,2|1,1,0]=4 1325 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100000719477_100020591547 [0,0,0,0,0,2|2,0,0]=4 1326 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100020591547_100000041952 [0,0,0,0,0,2|2,0,0]=4 1327 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100000719477_100011787736 [0,0,0,0,0,2|2,0,0]=4 1328 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100011787736_100000041952 [0,0,0,0,0,2|2,0,0]=4 1329 B13R2.64 c1ccc(cc1)Sc2nncs2 62a_100000719477_100000739804 [0,0,0,0,0,2|1,1,0]=4 1330 B13R2.64 c1ccc(cc1)Sc2nncs2 62a_100000739804_100000041952 [0,0,0,0,0,2|1,1,0]=4 1331 B13R2.64 c1ccc(nc1)Sc2cnco2 62a_100011216584_100020591547 [0,0,0,0,0,2|1,0,1]=4 1332 B13R2.64 c1ccc(nc1)Sc2cnco2 62a_100020591547_100011216584 [0,0,0,0,0,2|1,0,1]=4 1333 B13R2.64 c1ccc(nc1)Sc2ncco2 62a_100011216584_100011787736 [0,0,0,0,0,2|1,0,1]=4 1334 B13R2.64 c1ccc(nc1)Sc2ncco2 62a_100011787736_100011216584 [0,0,0,0,0,2|1,0,1]=4 1335 B13R2.64 c1ccc(nc1)Sc2nncs2 62a_100000739804_100011216584 [0,0,0,0,0,2|0,1,1]=4 1336 B13R2.64 c1ccc(nc1)Sc2nncs2 62a_100011216584_100000739804 [0,0,0,0,0,2|0,1,1]=4 1337 B13R2.64 c1cnc(cn1)Sc2cnco2 62a_100000211759_100020591547 [0,0,0,0,0,2|1,0,1]=4 1338 B13R2.64 c1cnc(cn1)Sc2cnco2 62a_100020591547_100000211759 [0,0,0,0,0,2|1,0,1]=4 1339 B13R2.64 c1cnc(cn1)Sc2ncco2 62a_100000211759_100011787736 [0,0,0,0,0,2|1,0,1]=4 1340 B13R2.64 c1cnc(cn1)Sc2ncco2 62a_100011787736_100000211759 [0,0,0,0,0,2|1,0,1]=4 1341 B13R2.64 c1cnc(cn1)Sc2nncs2 62a_100000211759_100000739804 [0,0,0,0,0,2|0,1,1]=4 1342 B13R2.64 c1cnc(cn1)Sc2nncs2 62a_100000739804_100000211759 [0,0,0,0,0,2|0,1,1]=4 1343 B13R2.64 c1cnc(nc1)Sc2cnco2 62a_100000211032_100020591547 [0,0,0,0,0,2|1,0,1]=4 1344 B13R2.64 c1cnc(nc1)Sc2cnco2 62a_100020591547_100000211032 [0,0,0,0,0,2|1,0,1]=4 1345 B13R2.64 c1cnc(nc1)Sc2ncco2 62a_100000211032_100011787736 [0,0,0,0,0,2|1,0,1]=4 1346 B13R2.64 c1cnc(nc1)Sc2ncco2 62a_100011787736_100000211032 [0,0,0,0,0,2|1,0,1]=4 1347 B13R2.64 c1cnc(nc1)Sc2nncs2 62a_100000211032_100000739804 [0,0,0,0,0,2|0,1,1]=4 1348 B13R2.64 c1cnc(nc1)Sc2nncs2 62a_100000739804_100000211032 [0,0,0,0,0,2|0,1,1]=4 1349 B13R2.64 c1cncc(c1)Sc2cnco2 62a_100000210063_100020591547 [0,0,0,0,0,2|1,0,1]=4 1350 B13R2.64 c1cncc(c1)Sc2cnco2 62a_100020591547_100000210063 [0,0,0,0,0,2|1,0,1]=4 1351 B13R2.64 c1cncc(c1)Sc2ncco2 62a_100000210063_100011787736 [0,0,0,0,0,2|1,0,1]=4 1352 B13R2.64 c1cncc(c1)Sc2ncco2 62a_100011787736_100000210063 [0,0,0,0,0,2|1,0,1]=4 1353 B13R2.64 c1cncc(c1)Sc2nncs2 62a_100000210063_100000739804 [0,0,0,0,0,2|0,1,1]=4 1354 B13R2.64 c1cncc(c1)Sc2nncs2 62a_100000739804_100000210063 [0,0,0,0,0,2|0,1,1]=4 1355 B13R2.64 c1cnnc(c1)Sc2ccco2 62a_100009814098_100016991348 [0,0,0,0,0,2|2,0,0]=4 1356 B13R2.64 c1cnnc(c1)Sc2ccco2 62a_100016991348_100009814098 [0,0,0,0,0,2|2,0,0]=4 1357 B13R2.64 c1cnnc(c1)Sc2cccs2 62a_100011215356_100016991348 [0,0,0,0,0,2|2,0,0]=4 1358 B13R2.64 c1cnnc(c1)Sc2cccs2 62a_100016991348_100011215356 [0,0,0,0,0,2|2,0,0]=4 1359 B13R2.64 c1cnnc(c1)Sc2cnco2 62a_100016991348_100020591547 [0,0,0,0,0,2|1,0,1]=4 1360 B13R2.64 c1cnnc(c1)Sc2cnco2 62a_100020591547_100016991348 [0,0,0,0,0,2|1,0,1]=4 1361 B13R2.64 c1cnnc(c1)Sc2ncc[nH]2 62a_100016991348_100025796157 [0,0,0,0,0,2|2,0,0]=4 1362 B13R2.64 c1cnnc(c1)Sc2ncc[nH]2 62a_100025796157_100016991348 [0,0,0,0,0,2|2,0,0]=4 1363 B13R2.64 c1cnnc(c1)Sc2ncco2 62a_100011787736_100016991348 [0,0,0,0,0,2|1,0,1]=4 1364 B13R2.64 c1cnnc(c1)Sc2ncco2 62a_100016991348_100011787736 [0,0,0,0,0,2|1,0,1]=4 1365 B13R2.64 c1cnnc(c1)Sc2nncs2 62a_100000739804_100016991348 [0,0,0,0,0,2|0,1,1]=4 1366 B13R2.64 c1cnnc(c1)Sc2nncs2 62a_100016991348_100000739804 [0,0,0,0,0,2|0,1,1]=4 1367 B13R2.64 c1coc(c1)Sc2ccncn2 62a_100000703185_100009814098 [0,0,0,0,0,2|2,0,0]=4 1368 B13R2.64 c1coc(c1)Sc2ccncn2 62a_100009814098_100000703185 [0,0,0,0,0,2|2,0,0]=4 1369 B13R2.64 c1coc(c1)Sc2ccnnc2 62a_100000732662_100009814098 [0,0,0,0,0,2|2,0,0]=4 1370 B13R2.64 c1coc(c1)Sc2ccnnc2 62a_100009814098_100000732662 [0,0,0,0,0,2|2,0,0]=4 1371 B13R2.64 c1csc(c1)Sc2ccncn2 62a_100000703185_100011215356 [0,0,0,0,0,2|2,0,0]=4 1372 B13R2.64 c1csc(c1)Sc2ccncn2 62a_100011215356_100000703185 [0,0,0,0,0,2|2,0,0]=4 1373 B13R2.64 c1csc(c1)Sc2ccnnc2 62a_100000732662_100011215356 [0,0,0,0,0,2|2,0,0]=4 1374 B13R2.64 c1csc(c1)Sc2ccnnc2 62a_100011215356_100000732662 [0,0,0,0,0,2|2,0,0]=4 1375 B13R2.183 c1c[nH]c(n1)CNc2nncs2 27a_100000754540_100000739804 [0,0,0,0,0,2|1,1,0]=4 1376 B13R2.183 c1c[nH]c(n1)CSc2cnco2 62a_100016991755_100020591547 [0,0,0,0,0,2|2,0,0]=4 1377 B13R2.183 c1c[nH]c(n1)CSc2cnco2 62a_100020591547_100016991755 [0,0,0,0,0,2|2,0,0]=4 1378 B13R2.183 c1c[nH]c(n1)CSc2ncco2 62a_100011787736_100016991755 [0,0,0,0,0,2|2,0,0]=4 1379 B13R2.183 c1c[nH]c(n1)CSc2ncco2 62a_100016991755_100011787736 [0,0,0,0,0,2|2,0,0]=4 1380 B13R2.183 c1c[nH]c(n1)CSc2nncs2 62a_100000739804_100016991755 [0,0,0,0,0,2|1,1,0]=4 1381 B13R2.183 c1c[nH]c(n1)CSc2nncs2 62a_100016991755_100000739804 [0,0,0,0,0,2|1,1,0]=4 1382 B13R2.183 c1c[nH]c(n1)SCc2ncco2 62a_100025796157_103436540062 [0,0,0,0,0,2|2,0,0]=4 1383 B13R2.183 c1c[nH]c(n1)SCc2ncco2 62a_103436540062_100025796157 [0,0,0,0,0,2|2,0,0]=4 1384 B13R2.183 c1cc([nH]n1)CSc2cnco2 62a_100000728653_100020591547 [0,0,0,0,0,2|2,0,0]=4 1385 B13R2.183 c1cc([nH]n1)CSc2cnco2 62a_100020591547_100000728653 [0,0,0,0,0,2|2,0,0]=4 1386 B13R2.183 c1cc([nH]n1)CSc2ncco2 62a_100000728653_100011787736 [0,0,0,0,0,2|2,0,0]=4 1387 B13R2.183 c1cc([nH]n1)CSc2ncco2 62a_100011787736_100000728653 [0,0,0,0,0,2|2,0,0]=4 1388 B13R2.183 c1cc([nH]n1)CSc2nncs2 62a_100000728653_100000739804 [0,0,0,0,0,2|1,1,0]=4 1389 B13R2.183 c1cc([nH]n1)CSc2nncs2 62a_100000739804_100000728653 [0,0,0,0,0,2|1,1,0]=4 1390 B13R2.183 c1coc(c1)CNc2nncs2 27a_100000185738_100000739804 [0,0,0,0,0,2|1,1,0]=4 1391 B13R2.183 c1coc(c1)SCc2ncco2 62a_100009814098_103436540062 [0,0,0,0,0,2|2,0,0]=4 1392 B13R2.183 c1coc(c1)SCc2ncco2 62a_103436540062_100009814098 [0,0,0,0,0,2|2,0,0]=4 1393 B13R2.183 c1csc(c1)CNc2nncs2 27a_100000211653_100000739804 [0,0,0,0,0,2|1,1,0]=4 1394 B13R2.183 c1csc(c1)SCc2ncco2 62a_100011215356_103436540062 [0,0,0,0,0,2|2,0,0]=4 1395 B13R2.183 c1csc(c1)SCc2ncco2 62a_103436540062_100011215356 [0,0,0,0,0,2|2,0,0]=4 1396 B10R1.16 C=CCNc1nnc(o1)C 27a_100020586998_100000708914 [1,1,1,0,0,0|0,0,1]=4 1397 B12R1.26 C=CC(=O)NCc1nnc(o1)C 240690a_200000236979_200121576911 [0,2,1,0,0,0|0,0,1]=4 1398 B14R2.24 O=c1[nH]cccc1c2cccnn2 271570a_100000099769_100016991348 [0,1,0,0,0,2|1,0,0]=4 1399 B14R2.24 O=c1[nH]cccc1c2ccncn2 271570a_100000099769_100000703185 [0,1,0,0,0,2|1,0,0]=4 1400 B14R2.24 O=c1[nH]cccc1c2ccnnc2 271570a_100000099769_100000732662 [0,1,0,0,0,2|1,0,0]=4 1401 B14R2.19 Cc1nnc(o1)Nc2ccccc2 27a_100000106764_100000708914 [0,1,0,0,0,2|1,0,0]=4 1402 B14R2.19 Cc1nnc(o1)Sc2ccccc2 62a_100000719477_100000708914 [0,1,0,0,0,2|1,0,0]=4 1403 B14R2.19 Cc1nnc(o1)Sc2ccccn2 62a_100011216584_100000708914 [0,1,0,0,0,2|0,0,1]=4 1404 B14R2.19 Cc1nnc(o1)Sc2cccnc2 62a_100000210063_100000708914 [0,1,0,0,0,2|0,0,1]=4 1405 B14R2.19 Cc1nnc(o1)Sc2cccnn2 62a_100016991348_100000708914 [0,1,0,0,0,2|0,0,1]=4 1406 B14R2.19 Cc1nnc(o1)Sc2ccncc2 62a_100000728582_100000708914 [0,1,0,0,0,2|1,0,0]=4 1407 B14R2.19 Cc1nnc(o1)Sc2ccncn2 62a_100000703185_100000708914 [0,1,0,0,0,2|0,0,1]=4 1408 B14R2.19 Cc1nnc(o1)Sc2cnccn2 62a_100000211759_100000708914 [0,1,0,0,0,2|0,0,1]=4 1409 B14R2.19 Cc1nnc(o1)Sc2ncccn2 62a_100000211032_100000708914 [0,1,0,0,0,2|0,0,1]=4 1410 B14R2.50 O=c1cc[nH]cc1Sc2cnco2 62a_100009998708_100020591547 [0,1,0,0,0,2|1,0,0]=4 1411 B14R2.50 O=c1cc[nH]cc1Sc2cnco2 62a_100020591547_100009998708 [0,1,0,0,0,2|1,0,0]=4 1412 B14R2.50 O=c1cc[nH]cc1Sc2ncco2 62a_100009998708_100011787736 [0,1,0,0,0,2|1,0,0]=4 1413 B14R2.50 O=c1cc[nH]cc1Sc2ncco2 62a_100011787736_100009998708 [0,1,0,0,0,2|1,0,0]=4 1414 B14R2.50 O=c1cc[nH]cc1Sc2nncs2 62a_100000739804_100009998708 [0,1,0,0,0,2|0,1,0]=4 1415 B14R2.50 O=c1cc[nH]cc1Sc2nncs2 62a_100009998708_100000739804 [0,1,0,0,0,2|0,1,0]=4 1416 B14R2.50 S=c1cc[nH]cc1Sc2cnco2 62a_100020591547_200012280681 [0,1,0,0,0,2|1,0,0]=4 1417 B14R2.50 S=c1cc[nH]cc1Sc2cnco2 62a_200012280681_100020591547 [0,1,0,0,0,2|1,0,0]=4 1418 B14R2.50 S=c1cc[nH]cc1Sc2ncco2 62a_100011787736_200012280681 [0,1,0,0,0,2|1,0,0]=4 1419 B14R2.50 S=c1cc[nH]cc1Sc2ncco2 62a_200012280681_100011787736 [0,1,0,0,0,2|1,0,0]=4 1420 B14R2.50 S=c1cc[nH]cc1Sc2nncs2 62a_100000739804_200012280681 [0,1,0,0,0,2|0,1,0]=4 1421 B14R2.50 S=c1cc[nH]cc1Sc2nncs2 62a_200012280681_100000739804 [0,1,0,0,0,2|0,1,0]=4 1422 B14R2.72 O=c1ccc(c[nH]1)Sc2cnco2 62a_100000212171_100020591547 [0,1,0,0,0,2|1,0,0]=4 1423 B14R2.72 O=c1ccc(c[nH]1)Sc2cnco2 62a_100020591547_100000212171 [0,1,0,0,0,2|1,0,0]=4 1424 B14R2.72 O=c1ccc(c[nH]1)Sc2ncco2 62a_100000212171_100011787736 [0,1,0,0,0,2|1,0,0]=4 1425 B14R2.72 O=c1ccc(c[nH]1)Sc2ncco2 62a_100011787736_100000212171 [0,1,0,0,0,2|1,0,0]=4 1426 B14R2.72 O=c1ccc(c[nH]1)Sc2nncs2 62a_100000212171_100000739804 [0,1,0,0,0,2|0,1,0]=4 1427 B14R2.72 O=c1ccc(c[nH]1)Sc2nncs2 62a_100000739804_100000212171 [0,1,0,0,0,2|0,1,0]=4 1428 B14R2.72 O=c1ccc(n[nH]1)Sc2cnco2 62a_100009820020_100020591547 [0,1,0,0,0,2|1,0,0]=4 1429 B14R2.72 O=c1ccc(n[nH]1)Sc2cnco2 62a_100020591547_100009820020 [0,1,0,0,0,2|1,0,0]=4 1430 B14R2.72 O=c1ccc(n[nH]1)Sc2ncco2 62a_100009820020_100011787736 [0,1,0,0,0,2|1,0,0]=4 1431 B14R2.72 O=c1ccc(n[nH]1)Sc2ncco2 62a_100011787736_100009820020 [0,1,0,0,0,2|1,0,0]=4 1432 B14R2.72 O=c1ccc(n[nH]1)Sc2nncs2 62a_100000739804_100009820020 [0,1,0,0,0,2|0,1,0]=4 1433 B14R2.72 O=c1ccc(n[nH]1)Sc2nncs2 62a_100009820020_100000739804 [0,1,0,0,0,2|0,1,0]=4 1434 B14R2.716 O=c1cc[nH]c(c1)Sc2cnco2 62a_100009817434_100020591547 [0,1,0,0,0,2|1,0,0]=4 1435 B14R2.716 O=c1cc[nH]c(c1)Sc2ncco2 62a_100009817434_100011787736 [0,1,0,0,0,2|1,0,0]=4 1436 B14R2.716 O=c1cc[nH]c(c1)Sc2nncs2 62a_100009817434_100000739804 [0,1,0,0,0,2|0,1,0]=4 1437 B14R2.716 O=c1cccc([nH]1)Sc2cnco2 62a_100020591547_100000752884 [0,1,0,0,0,2|1,0,0]=4 1438 B14R2.716 O=c1cccc([nH]1)Sc2ncco2 62a_100011787736_100000752884 [0,1,0,0,0,2|1,0,0]=4 1439 B14R2.716 O=c1cccc([nH]1)Sc2nncs2 62a_100000739804_100000752884 [0,1,0,0,0,2|0,1,0]=4 1440 B14R2.252 Cc1nnc(o1)CSc2ccco2 62a_100000181450_100009814098 [0,1,0,0,0,2|1,0,0]=4 1441 B14R2.252 Cc1nnc(o1)CSc2ccco2 62a_100009814098_100000181450 [0,1,0,0,0,2|1,0,0]=4 1442 B14R2.252 Cc1nnc(o1)CSc2cccs2 62a_100000181450_100011215356 [0,1,0,0,0,2|1,0,0]=4 1443 B14R2.252 Cc1nnc(o1)CSc2cccs2 62a_100011215356_100000181450 [0,1,0,0,0,2|1,0,0]=4 1444 B14R2.252 Cc1nnc(o1)CSc2ncc[nH]2 62a_100000181450_100025796157 [0,1,0,0,0,2|1,0,0]=4 1445 B14R2.252 Cc1nnc(o1)CSc2ncc[nH]2 62a_100025796157_100000181450 [0,1,0,0,0,2|1,0,0]=4 1446 B14R2.252 Cc1nnc(o1)NCc2ccco2 27a_100000185738_100000708914 [0,1,0,0,0,2|1,0,0]=4 1447 B14R2.252 Cc1nnc(o1)NCc2cccs2 27a_100000211653_100000708914 [0,1,0,0,0,2|1,0,0]=4 1448 B14R2.252 Cc1nnc(o1)NCc2ncc[nH]2 27a_100000754540_100000708914 [0,1,0,0,0,2|1,0,0]=4 1449 B14R2.252 Cc1nnc(o1)SCc2ccn[nH]2 62a_100000728653_100000708914 [0,1,0,0,0,2|1,0,0]=4 1450 B14R2.252 Cc1nnc(o1)SCc2ncc[nH]2 62a_100016991755_100000708914 [0,1,0,0,0,2|1,0,0]=4 1451 B14R2.8 CNc1nnc(o1)c2ccccc2 27a_100102657272_100000240041 [0,2,0,0,0,1|1,0,0]=4 1452 B14R2.8 CSc1nnc(o1)c2ccccc2 62a_200000210301_100000240041 [0,2,0,0,0,1|1,0,0]=4 1453 B14R2.8 [13CH3]Sc1nnc(o1)c2ccccc2 62a_200025704644_100000240041 [0,2,0,0,0,1|1,0,0]=4 1454 B14R2.20 Cc1ccc(cc1)c2nnc(o2)C 271570a_100000708704_100000708914 [0,2,0,0,0,1|1,0,0]=4 1455 B14R2.20 Cc1ccc(cn1)c2nnc(o2)C 271570a_100012354835_100000708914 [0,2,0,0,0,1|0,0,1]=4 1456 B14R2.20 Cc1ccc(nc1)c2nnc(o2)C 271570a_100000066433_100000708914 [0,2,0,0,0,1|0,0,1]=4 1457 B14R2.20 Cc1nnc(o1)c2cc[n+](cc2)C 271570a_100010897472_100000708914 [0,2,0,0,0,1|1,0,0]=4 1458 B14R2.20 Cc1nnc(o1)c2ccc(cc2)Br 271570a_100010235827_100000708914 [0,2,0,0,0,1|1,0,0]=4 1459 B14R2.20 Cc1nnc(o1)c2ccc(cc2)Cl 271570a_100011213355_100000708914 [0,2,0,0,0,1|1,0,0]=4 1460 B14R2.20 Cc1nnc(o1)c2ccc(cc2)F 271570a_100011934326_100000708914 [0,2,0,0,0,1|1,0,0]=4 1461 B14R2.20 Cc1nnc(o1)c2ccc(cc2)I 271570a_100000033156_100000708914 [0,2,0,0,0,1|1,0,0]=4 1462 B14R2.20 Cc1nnc(o1)c2ccc(cc2)N 271570a_100015188457_100000708914 [0,2,0,0,0,1|1,0,0]=4 1463 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O 271570a_100015205159_100000708914 [0,2,0,0,0,1|1,0,0]=4 1464 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O 271570a_203496583355_100000185884 [0,2,0,0,0,1|1,0,0]=4 1465 B14R2.20 Cc1nnc(o1)c2ccc(cn2)Cl 271570a_200000049369_100000708914 [0,2,0,0,0,1|0,0,1]=4 1466 B14R2.20 Cc1nnc(o1)c2ccc(cn2)F 271570a_100000117362_100000708914 [0,2,0,0,0,1|0,0,1]=4 1467 B14R2.20 Cc1nnc(o1)c2ccc(nc2)Cl 271570a_100000037156_100000708914 [0,2,0,0,0,1|0,0,1]=4 1468 B14R2.20 Cc1nnc(o1)c2ccc(nc2)F 271570a_100000041719_100000708914 [0,2,0,0,0,1|0,0,1]=4 1469 B14R2.20 Cc1nnc(o1)c2ccc(nc2)N 271570a_100000062249_100000708914 [0,2,0,0,0,1|0,0,1]=4 1470 B14R2.20 Cc1nnc(o1)c2ccc(nc2)O 271570a_100000062254_100000708914 [0,2,0,0,0,1|0,0,1]=4 1471 B14R2.20 Cc1nnc(o1)c2ccc(nn2)O 271570a_203496583355_100009842727 [0,2,0,0,0,1|0,0,1]=4 1472 B14R2.20 Cc1nnc(o1)c2cnc(=O)[nH]c2 271570a_100000079150_100000708914 [0,2,0,0,0,1|1,0,0]=4 1473 B14R2.22 Cc1cc(ccn1)c2nnc(o2)C 271570a_100011830414_100000708914 [0,2,0,0,0,1|1,0,0]=4 1474 B14R2.22 Cc1cccc(c1)c2nnc(o2)C 271570a_100000749446_100000708914 [0,2,0,0,0,1|1,0,0]=4 1475 B14R2.22 Cc1cccc(n1)c2nnc(o2)C 271570a_100000046275_100000708914 [0,2,0,0,0,1|0,0,1]=4 1476 B14R2.22 Cc1ccnc(c1)c2nnc(o2)C 271570a_100000049243_100000708914 [0,2,0,0,0,1|0,0,1]=4 1477 B14R2.22 Cc1cncc(c1)c2nnc(o2)C 271570a_100012355712_100000708914 [0,2,0,0,0,1|0,0,1]=4 1478 B14R2.22 Cc1nnc(o1)c2cc(ccn2)F 271570a_200000087102_100000708914 [0,2,0,0,0,1|0,0,1]=4 1479 B14R2.22 Cc1nnc(o1)c2cccc(c2)Cl 271570a_100011214927_100000708914 [0,2,0,0,0,1|1,0,0]=4 1480 B14R2.22 Cc1nnc(o1)c2cccc(c2)F 271570a_100012349223_100000708914 [0,2,0,0,0,1|1,0,0]=4 1481 B14R2.22 Cc1nnc(o1)c2cccc(c2)I 271570a_100000043368_100000708914 [0,2,0,0,0,1|1,0,0]=4 1482 B14R2.22 Cc1nnc(o1)c2cccc(c2)N 271570a_100000699968_100000708914 [0,2,0,0,0,1|1,0,0]=4 1483 B14R2.22 Cc1nnc(o1)c2cccc(c2)O 271570a_100000693801_100000708914 [0,2,0,0,0,1|1,0,0]=4 1484 B14R2.22 Cc1nnc(o1)c2cccc(c2)O 271570a_203496583355_100000756742 [0,2,0,0,0,1|1,0,0]=4 1485 B14R2.22 Cc1nnc(o1)c2cccc(n2)Cl 271570a_100000062326_100000708914 [0,2,0,0,0,1|0,0,1]=4 1486 B14R2.22 Cc1nnc(o1)c2cccc(n2)F 271570a_100000090185_100000708914 [0,2,0,0,0,1|0,0,1]=4 1487 B14R2.22 Cc1nnc(o1)c2cccc(n2)O 271570a_100010195584_100000708914 [0,2,0,0,0,1|0,0,1]=4 1488 B14R2.22 Cc1nnc(o1)c2ccnc(c2)Cl 271570a_100000049459_100000708914 [0,2,0,0,0,1|1,0,0]=4 1489 B14R2.22 Cc1nnc(o1)c2ccnc(c2)F 271570a_100000062321_100000708914 [0,2,0,0,0,1|1,0,0]=4 1490 B14R2.22 Cc1nnc(o1)c2ccnc(c2)N 271570a_102125402725_100000708914 [0,2,0,0,0,1|1,0,0]=4 1491 B14R2.22 Cc1nnc(o1)c2ccnc(c2)O 271570a_100010237957_100000708914 [0,2,0,0,0,1|1,0,0]=4 1492 B14R2.22 Cc1nnc(o1)c2cncc(c2)Br 271570a_200009814628_100000708914 [0,2,0,0,0,1|0,0,1]=4 1493 B14R2.22 Cc1nnc(o1)c2cncc(c2)Cl 271570a_100000049213_100000708914 [0,2,0,0,0,1|0,0,1]=4 1494 B14R2.22 Cc1nnc(o1)c2cncc(c2)F 271570a_100000757375_100000708914 [0,2,0,0,0,1|0,0,1]=4 1495 B14R2.22 Cc1nnc(o1)c2cncc(c2)N 271570a_100000069896_100000708914 [0,2,0,0,0,1|0,0,1]=4 1496 B14R2.22 Cc1nnc(o1)c2cncc(c2)O 271570a_100010248756_100000708914 [0,2,0,0,0,1|0,0,1]=4 1497 B14R2.22 Nc1nnc(o1)c2cccc(c2)O 271570a_203496583355_100000184473 [0,2,0,0,0,1|1,0,0]=4 1498 B14R2.22 Oc1cccc(c1)c2nnc(o2)O 271570a_203496583355_200012028785 [0,2,0,0,0,1|1,0,0]=4 1499 B14R2.256 Cc1nnc(o1)c2ccc[nH]c2=O 271570a_100000099769_100000708914 [0,2,0,0,0,1|0,0,0]=3 1500 B14R2.256 Cc1nnc(o1)c2ccccc2C 271570a_100000747142_100000708914 [0,2,0,0,0,1|1,0,0]=4 1501 B14R2.256 Cc1nnc(o1)c2ccccc2Cl 271570a_100011934419_100000708914 [0,2,0,0,0,1|1,0,0]=4 1502 B14R2.256 Cc1nnc(o1)c2ccccc2F 271570a_100000761933_100000708914 [0,2,0,0,0,1|1,0,0]=4 1503 B14R2.256 Cc1nnc(o1)c2ccccc2I 271570a_100000069755_100000708914 [0,2,0,0,0,1|1,0,0]=4 1504 B14R2.256 Cc1nnc(o1)c2ccccc2N 271570a_100000034411_100000708914 [0,2,0,0,0,1|1,0,0]=4 1505 B14R2.256 Cc1nnc(o1)c2ccccc2O 271570a_100000035170_100000708914 [0,2,0,0,0,1|1,0,0]=4 1506 B14R2.256 Cc1nnc(o1)c2ccccc2O 271570a_203496583355_100000209789 [0,2,0,0,0,1|1,0,0]=4 1507 B14R2.256 Cc1nnc(o1)c2cccnc2C 271570a_100011934933_100000708914 [0,2,0,0,0,1|0,0,1]=4 1508 B14R2.256 Cc1nnc(o1)c2cccnc2Cl 271570a_100000047009_100000708914 [0,2,0,0,0,1|0,0,1]=4 1509 B14R2.256 Cc1nnc(o1)c2cccnc2F 271570a_100000042387_100000708914 [0,2,0,0,0,1|0,0,1]=4 1510 B14R2.256 Cc1nnc(o1)c2cccnc2N 271570a_100000071976_100000708914 [0,2,0,0,0,1|0,0,1]=4 1511 B14R2.256 Cc1nnc(o1)c2ccncc2C 271570a_100000701363_100000708914 [0,2,0,0,0,1|1,0,0]=4 1512 B14R2.256 Cc1nnc(o1)c2ccncc2Cl 271570a_100000062318_100000708914 [0,2,0,0,0,1|1,0,0]=4 1513 B14R2.256 Cc1nnc(o1)c2ccncc2F 271570a_100011290801_100000708914 [0,2,0,0,0,1|1,0,0]=4 1514 B14R2.256 Cc1nnc(o1)c2cnccc2C 271570a_100011935247_100000708914 [0,2,0,0,0,1|0,0,1]=4 1515 B14R2.256 Cc1nnc(o1)c2cnccc2Cl 271570a_100000062317_100000708914 [0,2,0,0,0,1|0,0,1]=4 1516 B14R2.256 Cc1nnc(o1)c2cnccc2N 271570a_200010248739_100000708914 [0,2,0,0,0,1|0,0,1]=4 1517 B14R2.256 Cc1nnc(o1)c2ncccc2Cl 271570a_100009857861_100000708914 [0,2,0,0,0,1|0,0,1]=4 1518 B14R2.256 Cc1nnc(s1)c2ccc[nH]c2=O 271570a_100000099769_100000686958 [0,2,0,0,0,1|0,1,0]=4 1519 B14R2.256 Nc1nnc(o1)c2ccccc2O 271570a_203496583355_100011209138 [0,2,0,0,0,1|1,0,0]=4 1520 B14R2.256 Nc1nnc(s1)c2ccc[nH]c2=O 271570a_100000099769_100000738278 [0,2,0,0,0,1|0,1,0]=4 1521 B14R2.1 C=Cc1ccc(cc1)c2nnco2 271570a_100011290941_100000179025 [0,2,0,0,0,1|1,0,0]=4 1522 B14R2.1 CNc1ccc(cc1)c2nnco2 34a_100000246548_200000210301 [0,2,0,0,0,1|1,0,0]=4 1523 B14R2.1 COc1ccc(cc1)c2nnco2 34a_100000010586_200000210301 [0,2,0,0,0,1|1,0,0]=4 1524 B14R2.1 COc1ccc(cc1)c2nnco2 7a_100000010586_200000210301 [0,2,0,0,0,1|1,0,0]=4 1525 B14R2.1 CSc1ccc(cc1)c2nnco2 62a_100000179025_200000210301 [0,2,0,0,0,1|1,0,0]=4 1526 B14R2.1 CSc1ccc(cc1)c2nnco2 62a_200000210301_100000179025 [0,2,0,0,0,1|1,0,0]=4 1527 B14R2.1 [13CH3]Nc1ccc(cc1)c2nnco2 34a_100000246548_200025704644 [0,2,0,0,0,1|1,0,0]=4 1528 B14R2.1 [13CH3]Oc1ccc(cc1)c2nnco2 34a_100000010586_200025704644 [0,2,0,0,0,1|1,0,0]=4 1529 B14R2.1 [13CH3]Oc1ccc(cc1)c2nnco2 7a_100000010586_200025704644 [0,2,0,0,0,1|1,0,0]=4 1530 B14R2.1 [13CH3]Sc1ccc(cc1)c2nnco2 62a_100000179025_200025704644 [0,2,0,0,0,1|1,0,0]=4 1531 B14R2.1 [13CH3]Sc1ccc(cc1)c2nnco2 62a_200025704644_100000179025 [0,2,0,0,0,1|1,0,0]=4 1532 B14R2.70 Cn1cc(ccc1=O)c2cnco2 271570a_100010233783_100020591547 [0,2,0,0,0,1|1,0,0]=4 1533 B14R2.70 Cn1cc(ccc1=O)c2ncco2 271570a_100010233783_100011787736 [0,2,0,0,0,1|1,0,0]=4 1534 B14R2.70 Cn1cc(ccc1=O)c2nncs2 271570a_100010233783_100000739804 [0,2,0,0,0,1|0,1,0]=4 1535 B14R2.926 Cc1ccc(nn1)c2cccn2C 271570a_100000068268_100011450037 [0,2,0,0,0,1|1,0,0]=4 1536 B14R2.926 Cn1cccc1c2ccc(nn2)N 271570a_100000068268_100009816609 [0,2,0,0,0,1|1,0,0]=4 1537 B14R2.926 Cn1cccc1c2cnc(nn2)N 271570a_100000068268_100000691435 [0,2,0,0,0,1|1,0,0]=4 1538 B14R2.10 C=Cc1cccc(c1)c2nnco2 271570a_100011290941_100000187340 [0,2,0,0,0,1|1,0,0]=4 1539 B14R2.10 C=Cc1cncc(c1)c2nnco2 271570a_100011290941_100009816944 [0,2,0,0,0,1|0,0,1]=4 1540 B14R2.10 CNc1cccc(c1)c2nnco2 34a_100000246549_200000210301 [0,2,0,0,0,1|1,0,0]=4 1541 B14R2.10 COc1cccc(c1)c2nnco2 34a_100000014109_200000210301 [0,2,0,0,0,1|1,0,0]=4 1542 B14R2.10 COc1cccc(c1)c2nnco2 7a_100000014109_200000210301 [0,2,0,0,0,1|1,0,0]=4 1543 B14R2.10 CSc1cccc(c1)c2nnco2 62a_100000187340_200000210301 [0,2,0,0,0,1|1,0,0]=4 1544 B14R2.10 CSc1cccc(c1)c2nnco2 62a_200000210301_100000187340 [0,2,0,0,0,1|1,0,0]=4 1545 B14R2.10 CSc1cncc(c1)c2nnco2 62a_100009816944_200000210301 [0,2,0,0,0,1|0,0,1]=4 1546 B14R2.10 CSc1cncc(c1)c2nnco2 62a_200000210301_100009816944 [0,2,0,0,0,1|0,0,1]=4 1547 B14R2.10 [13CH3]Nc1cccc(c1)c2nnco2 34a_100000246549_200025704644 [0,2,0,0,0,1|1,0,0]=4 1548 B14R2.10 [13CH3]Oc1cccc(c1)c2nnco2 34a_100000014109_200025704644 [0,2,0,0,0,1|1,0,0]=4 1549 B14R2.10 [13CH3]Oc1cccc(c1)c2nnco2 7a_100000014109_200025704644 [0,2,0,0,0,1|1,0,0]=4 1550 B14R2.10 [13CH3]Sc1cccc(c1)c2nnco2 62a_100000187340_200025704644 [0,2,0,0,0,1|1,0,0]=4 1551 B14R2.10 [13CH3]Sc1cccc(c1)c2nnco2 62a_200025704644_100000187340 [0,2,0,0,0,1|1,0,0]=4 1552 B14R2.10 [13CH3]Sc1cncc(c1)c2nnco2 62a_100009816944_200025704644 [0,2,0,0,0,1|0,0,1]=4 1553 B14R2.10 [13CH3]Sc1cncc(c1)c2nnco2 62a_200025704644_100009816944 [0,2,0,0,0,1|0,0,1]=4 1554 B14R2.23 Cn1cccc(c1=O)c2cnco2 271570a_100010760696_100020591547 [0,2,0,0,0,1|1,0,0]=4 1555 B14R2.23 Cn1cccc(c1=O)c2ncco2 271570a_100010760696_100011787736 [0,2,0,0,0,1|1,0,0]=4 1556 B14R2.23 Cn1cccc(c1=O)c2nncs2 271570a_100010760696_100000739804 [0,2,0,0,0,1|0,1,0]=4 1557 B14R2.269 Cc1cc(ncn1)c2cccn2C 271570a_100000068268_100000744208 [0,2,0,0,0,1|1,0,0]=4 1558 B14R2.269 Cc1cnnc(c1)c2cccn2C 271570a_100000068268_100000070100 [0,2,0,0,0,1|1,0,0]=4 1559 B14R2.269 Cc1nccc(n1)c2cccn2C 271570a_100000068268_100000749937 [0,2,0,0,0,1|1,0,0]=4 1560 B14R2.269 Cn1cccc1c2cc(cnn2)O 271570a_100000068268_200010734679 [0,2,0,0,0,1|1,0,0]=4 1561 B14R2.269 Cn1cccc1c2cc(ncn2)F 271570a_100000068268_200009880791 [0,2,0,0,0,1|1,0,0]=4 1562 B14R2.269 Cn1cccc1c2cc(ncn2)N 271570a_100000068268_100000701291 [0,2,0,0,0,1|1,0,0]=4 1563 B14R2.269 Cn1cccc1c2cc(ncn2)O 271570a_100000068268_100000765262 [0,2,0,0,0,1|1,0,0]=4 1564 B14R2.269 Cn1cccc1c2ccnc(n2)N 271570a_100000068268_100009820717 [0,2,0,0,0,1|1,0,0]=4 1565 B14R2.269 Cn1cccc1c2cnnc(c2)N 271570a_100000068268_100000130277 [0,2,0,0,0,1|1,0,0]=4 1566 B14R2.269 Cn1cccc1c2ncnc(n2)N 271570a_100000068268_100000123831 [0,2,0,0,0,1|1,0,0]=4 1567 B14R2.296 Cc1ccnnc1c2cccn2C 271570a_100000068268_100000089043 [0,2,0,0,0,1|1,0,0]=4 1568 B14R2.296 Cc1cncnc1c2cccn2C 271570a_100000068268_100011998708 [0,2,0,0,0,1|1,0,0]=4 1569 B14R2.296 Cn1cccc1c2cnncc2N 271570a_100000068268_100009829405 [0,2,0,0,0,1|1,0,0]=4 1570 B14R2.296 Cn1cccc1c2ncncc2F 271570a_100000068268_100000069762 [0,2,0,0,0,1|1,0,0]=4 1571 B14R2.296 Cn1cccc1c2ncncc2N 271570a_100000068268_100000709731 [0,2,0,0,0,1|1,0,0]=4 1572 B14R2.98 C=Cc1ccccc1c2nnco2 271570a_100011290941_100000179026 [0,2,0,0,0,1|1,0,0]=4 1573 B14R2.98 COc1ccccc1c2nnco2 34a_100000013539_200000210301 [0,2,0,0,0,1|1,0,0]=4 1574 B14R2.98 CSc1ccccc1c2nnco2 62a_100000179026_200000210301 [0,2,0,0,0,1|1,0,0]=4 1575 B14R2.98 CSc1ccccc1c2nnco2 62a_200000210301_100000179026 [0,2,0,0,0,1|1,0,0]=4 1576 B14R2.98 [13CH3]Oc1ccccc1c2nnco2 34a_100000013539_200025704644 [0,2,0,0,0,1|1,0,0]=4 1577 B14R2.98 [13CH3]Sc1ccccc1c2nnco2 62a_100000179026_200025704644 [0,2,0,0,0,1|1,0,0]=4 1578 B14R2.98 [13CH3]Sc1ccccc1c2nnco2 62a_200025704644_100000179026 [0,2,0,0,0,1|1,0,0]=4 1579 B14R2.259 Cc1nnc(o1)Sc2[nH]cnc2Cl 62a_100010200774_100000708914 [0,2,0,0,0,1|1,0,0]=4 1580 B14R2.259 Cc1nnc(o1)Sc2ccnn2C 62a_100000688441_100000708914 [0,2,0,0,0,1|1,0,0]=4 1581 B14R2.259 Cc1nnc(o1)Sc2cncn2C 62a_100009814087_100000708914 [0,2,0,0,0,1|1,0,0]=4 1582 B14R2.259 Cc1nnc(o1)Sc2nccn2C 62a_100000707724_100000708914 [0,2,0,0,0,1|1,0,0]=4 1583 B14R2.259 Cc1nnc(o1)Sc2sccc2Br 62a_100012361411_100000708914 [0,2,0,0,0,1|1,0,0]=4 1584 B14R2.259 Cc1nnc(o1)Sc2sccc2C 62a_100010247149_100000708914 [0,2,0,0,0,1|1,0,0]=4 1585 B14R2.119 O=Cc1c[nH]c(c1)Sc2cnco2 62a_100009882863_100020591547 [0,2,0,0,0,1|1,0,0]=4 1586 B14R2.119 O=Cc1c[nH]c(c1)Sc2cnco2 62a_100020591547_100009882863 [0,2,0,0,0,1|1,0,0]=4 1587 B14R2.119 O=Cc1c[nH]c(c1)Sc2ncco2 62a_100009882863_100011787736 [0,2,0,0,0,1|1,0,0]=4 1588 B14R2.119 O=Cc1c[nH]c(c1)Sc2ncco2 62a_100011787736_100009882863 [0,2,0,0,0,1|1,0,0]=4 1589 B14R2.119 O=Cc1c[nH]c(c1)Sc2nncs2 62a_100000739804_100009882863 [0,2,0,0,0,1|0,1,0]=4 1590 B14R2.119 O=Cc1c[nH]c(c1)Sc2nncs2 62a_100009882863_100000739804 [0,2,0,0,0,1|0,1,0]=4 1591 B14R2.119 O=Cc1ccc([nH]1)Sc2cnco2 62a_100020591547_100009875417 [0,2,0,0,0,1|1,0,0]=4 1592 B14R2.119 O=Cc1ccc([nH]1)Sc2ncco2 62a_100011787736_100009875417 [0,2,0,0,0,1|1,0,0]=4 1593 B14R2.119 O=Cc1ccc([nH]1)Sc2nncs2 62a_100000739804_100009875417 [0,2,0,0,0,1|0,1,0]=4 1594 B14R2.250 Cc1c[nH]c(n1)Sc2nnc(o2)C 62a_100161115468_100000708914 [0,2,0,0,0,1|1,0,0]=4 1595 B14R2.250 Cc1csc(c1)Sc2nnc(o2)C 62a_100009876951_100000708914 [0,2,0,0,0,1|1,0,0]=4 1596 B14R2.250 Cc1nnc(o1)Sc2cc(n[nH]2)Br 62a_100160470719_100000708914 [0,2,0,0,0,1|1,0,0]=4 1597 B14R2.250 Cc1nnc(o1)Sc2ccc(s2)Br 62a_100010197418_100000708914 [0,2,0,0,0,1|1,0,0]=4 1598 B14R2.250 Cc1nnc(o1)Sc2ccc(s2)C 62a_100000031368_100000708914 [0,2,0,0,0,1|1,0,0]=4 1599 B14R2.9 CCc1csc(c1)c2nnc(o2)C 271570a_100009871738_100000708914 [0,3,0,0,0,0|1,0,0]=4 1600 B14R2.9 COc1csc(c1)c2nnc(o2)C 271570a_100010068968_100000708914 [0,3,0,0,0,0|1,0,0]=4 1601 B14R2.9 Cc1nnc(o1)c2cc(co2)C=O 271570a_200000066965_100000708914 [0,3,0,0,0,0|1,0,0]=4 1602 B14R2.9 Cc1nnc(o1)c2ccc(o2)C=O 271570a_100000034841_100000708914 [0,3,0,0,0,0|1,0,0]=4 1603 B14R2.9 Cc1nnc(o1)c2ccc(o2)CO 271570a_200000079978_100000708914 [0,3,0,0,0,0|1,0,0]=4 1604 B14R2.9 Cc1nnc(o1)c2ccc(s2)C#N 271570a_100000035585_100000708914 [0,3,0,0,0,0|1,0,0]=4 1605 B14R2.9 Cc1nnc(o1)c2ccc(s2)C=O 271570a_100000033420_100000708914 [0,3,0,0,0,0|1,0,0]=4 1606 B14R2.9 Cc1nnc(o1)c2ccc(s2)CO 271570a_100010143978_100000708914 [0,3,0,0,0,0|1,0,0]=4 1607 B14R2.56 CNCc1nnc(o1)c2ccco2 2230a_106832991635_100000181387 [0,3,0,0,0,0|1,0,0]=4 1608 B14R2.56 CNCc1nnc(o1)c2ccco2 34a_100102657272_100000181387 [0,3,0,0,0,0|1,0,0]=4 1609 B14R2.56 CNCc1nnc(o1)c2ccco2 7a_106832991635_100000181387 [0,3,0,0,0,0|1,0,0]=4 1610 B14R2.56 COCc1nnc(o1)c2ccco2 34a_100138415774_100000181387 [0,3,0,0,0,0|1,0,0]=4 1611 B14R2.56 CSCc1nnc(o1)c2ccco2 62a_100000181387_200000210301 [0,3,0,0,0,0|1,0,0]=4 1612 B14R2.56 CSCc1nnc(o1)c2ccco2 62a_200000210301_100000181387 [0,3,0,0,0,0|1,0,0]=4 1613 B14R2.56 [13CH3]SCc1nnc(o1)c2ccco2 62a_100000181387_200025704644 [0,3,0,0,0,0|1,0,0]=4 1614 B14R2.56 [13CH3]SCc1nnc(o1)c2ccco2 62a_200025704644_100000181387 [0,3,0,0,0,0|1,0,0]=4 1615 B14R2.121 CNc1nnc(s1)c2cccn2C 271570a_100000068268_200012111945 [0,3,0,0,0,0|0,1,0]=4 1616 B14R2.254 Cc1nnc(o1)c2cc(c(s2)Cl)C 271570a_202125692827_100000708914 [0,3,0,0,0,0|1,0,0]=4 1617 B14R2.258 Cc1cc(n(n1)C)c2nnc(o2)C 271570a_100010162543_100000708914 [0,3,0,0,0,0|1,0,0]=4 1618 B14R2.4381 Cc1nnc(o1)c2cnc(n2C)Cl 271570a_100000070314_100000708914 [0,3,0,0,0,0|1,0,0]=4 1619 B14R2.97 CCn1nccc1c2nnc(o2)C 271570a_100000701364_100000708914 [0,3,0,0,0,0|1,0,0]=4 1620 B14R2.97 COc1ccsc1c2nnc(o2)C 271570a_100000069662_100000708914 [0,3,0,0,0,0|1,0,0]=4 1621 B14R2.97 Cc1nnc(o1)c2occc2C=O 271570a_200000039635_100000708914 [0,3,0,0,0,0|1,0,0]=4 1622 B14R2.97 Cc1nnc(o1)c2sccc2C=O 271570a_100000034323_100000708914 [0,3,0,0,0,0|1,0,0]=4 1623 B14R2.4392 Cc1nnc(o1)c2c(cnn2C)C 271570a_100010063681_100000708914 [0,3,0,0,0,0|1,0,0]=4 1624 B12R2.315 C=Cc1ncnc2c1[nH]cc2 271570a_100011290941_100000084117 [0,1,1,1,0,0|1,0,0]=4 1625 B12R2.315 C=Cc1ncnn2c1ccc2 271570a_100011290941_100000104113 [0,1,1,1,0,0|1,0,0]=4 1626 B12R2.221 Cc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010244396 [0,1,1,1,0,0|1,0,0]=4