0 B12R1.37 BrCCCCOCc1c[nH]cn1 34a_100011216708_100000707719 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.37 BrCCCCOCc1ccn[nH]1 34a_100011216708_100000728653 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.37 BrCCCCOCc1ccon1 34a_100011216708_100000234950 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.37 BrCCCCOCc1ccsc1 34a_100011216708_100011261437 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.37 BrCCCCOCc1cncs1 34a_100011216708_100015185245 [0,0,0,0,0,0|3,1,0]=4 5 B12R1.37 BrCCCCOCc1cscn1 34a_100011216708_100000205941 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.37 BrCCCCOCc1ncc[nH]1 34a_100011216708_100016991755 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.37 BrCCCCOCc1ncco1 34a_100011216708_103436540062 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.37 BrCCCCOCc1nccs1 34a_100011216708_100015184050 [0,0,0,0,0,0|3,1,0]=4 9 B12R1.37 BrCCCOCCc1cccs1 34a_100011217188_100000748579 [0,0,0,0,0,0|2,1,0]=3 10 B12R1.37 BrCCCOCCn1cccn1 34a_100011217188_100015204718 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.37 BrCCOCCCc1cccs1 34a_100000211926_100010992444 [0,0,0,0,0,0|2,1,0]=3 12 B12R1.37 BrCCOCCCn1cccc1 34a_100000211926_200009814367 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.37 C#CCCCCSc1ccco1 62a_100009814098_100010269958 [0,0,0,0,0,0|1,0,2]=3 14 B12R1.37 C#CCCCCSc1ccco1 62a_100010269958_100009814098 [0,0,0,0,0,0|1,0,2]=3 15 B12R1.37 C#CCCCCSc1cccs1 62a_100010269958_100011215356 [0,0,0,0,0,0|1,1,2]=4 16 B12R1.37 C#CCCCCSc1cccs1 62a_100011215356_100010269958 [0,0,0,0,0,0|1,1,2]=4 17 B12R1.37 C#CCCCCSc1cnco1 62a_100010269958_100020591547 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.37 C#CCCCCSc1cnco1 62a_100020591547_100010269958 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.37 C#CCCCCSc1ncco1 62a_100010269958_100011787736 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.37 C#CCCCCSc1ncco1 62a_100011787736_100010269958 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.37 C#CCCCNCc1ccco1 207a_100000718082_100000186105 [0,0,0,0,0,0|1,0,2]=3 22 B12R1.37 C#CCCCNCc1ccco1 2230a_100000185738_100000731252 [0,0,0,0,0,0|1,0,2]=3 23 B12R1.37 C#CCCCNCc1ccco1 270004a_100000718082_100000186105 [0,0,0,0,0,0|1,0,2]=3 24 B12R1.37 C#CCCCNCc1ccco1 34a_100000185738_100000695029 [0,0,0,0,0,0|1,0,2]=3 25 B12R1.37 C#CCCCNCc1cccs1 207a_100000718082_100000209959 [0,0,0,0,0,0|1,1,2]=4 26 B12R1.37 C#CCCCNCc1cccs1 2230a_100000211653_100000731252 [0,0,0,0,0,0|1,1,2]=4 27 B12R1.37 C#CCCCNCc1cccs1 270004a_100000718082_100000209959 [0,0,0,0,0,0|1,1,2]=4 28 B12R1.37 C#CCCCNCc1cnco1 270004a_100000718082_100000064291 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.37 C#CCCCNCc1ncco1 2230a_100016994969_100000731252 [0,0,0,0,0,0|2,0,2]=4 30 B12R1.37 C#CCCCNCc1ncco1 270004a_100000718082_100000064290 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.37 C#CCCCNCc1ncco1 34a_100000718082_103436540062 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.37 C#CCCCOCc1ccco1 34a_100000210059_100000695029 [0,0,0,0,0,0|1,0,2]=3 33 B12R1.37 C#CCCCOCc1cccs1 34a_100000211240_100000695029 [0,0,0,0,0,0|1,1,2]=4 34 B12R1.37 C#CCCCOCc1ccno1 34a_100000740478_100000695029 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.37 C#CCCCOCc1ncco1 34a_100000062594_100000695029 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.37 C#CCCCOCc1ncco1 34a_100000215630_103436540062 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.37 C#CCCCOCc1ncco1 7a_100000215630_103436540062 [0,0,0,0,0,0|2,0,2]=4 38 B12R1.37 C#CCCCSCc1ncco1 62a_100011215417_103436540062 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.37 C#CCCCSCc1ncco1 62a_103436540062_100011215417 [0,0,0,0,0,0|2,0,2]=4 40 B12R1.37 C#CCCNCCc1ccco1 2230a_100000694680_100000688953 [0,0,0,0,0,0|1,0,2]=3 41 B12R1.37 C#CCCNCCc1ccco1 34a_100000694680_100000688953 [0,0,0,0,0,0|1,0,2]=3 42 B12R1.37 C#CCCNCCc1cccs1 2230a_100000203755_100000688953 [0,0,0,0,0,0|1,1,2]=4 43 B12R1.37 C#CCCNCCc1cccs1 34a_100000203755_100000688953 [0,0,0,0,0,0|1,1,2]=4 44 B12R1.37 C#CCCNCCc1cccs1 34a_100000755551_100000748579 [0,0,0,0,0,0|1,1,2]=4 45 B12R1.37 C#CCCOCCc1cccs1 34a_100011215631_100000748579 [0,0,0,0,0,0|1,1,2]=4 46 B12R1.37 C#CCCOCCc1cccs1 34a_100011216825_100000688953 [0,0,0,0,0,0|1,1,2]=4 47 B12R1.37 C#CCCOCCc1cccs1 7a_100011216825_100000688953 [0,0,0,0,0,0|1,1,2]=4 48 B12R1.37 C#CCCSCCc1cccs1 62a_100000688953_100000748579 [0,0,0,0,0,0|1,1,2]=4 49 B12R1.37 C#CCCSCCc1cccs1 62a_100000748579_100000688953 [0,0,0,0,0,0|1,1,2]=4 50 B12R1.37 C#CCNCCCc1cccs1 34a_100000212058_100010992444 [0,0,0,0,0,0|1,1,2]=4 51 B12R1.37 C#CCOCCCc1cccs1 34a_100000210247_100010992444 [0,0,0,0,0,0|1,1,2]=4 52 B12R1.37 C#CCOCCCc1cccs1 34a_100011713143_100000184674 [0,0,0,0,0,0|1,1,2]=4 53 B12R1.37 C#CCOCCCc1cccs1 7a_100011713143_100000038162 [0,0,0,0,0,0|1,1,2]=4 54 B12R1.37 C#CCOCCSc1ccco1 62a_100009814098_100010402529 [0,0,0,0,0,0|2,0,2]=4 55 B12R1.37 C#CCOCCSc1ccco1 62a_100010402529_100009814098 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.37 C#CCSCCCc1cccs1 62a_100000038162_100010992444 [0,0,0,0,0,0|1,1,2]=4 57 B12R1.37 C/C=C/CCOCc1ncco1 34a_100016278192_103436540062 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.37 C/C=C/CNCCc1ccco1 34a_100000694680_100102629194 [0,0,0,0,0,0|1,0,2]=3 59 B12R1.37 C/C=C/CNCCc1cccs1 34a_100000203755_100102629194 [0,0,0,0,0,0|1,1,2]=4 60 B12R1.37 C/C=C/COCCc1cccs1 34a_100011216825_100102629194 [0,0,0,0,0,0|1,1,2]=4 61 B12R1.37 C/C=C/COCCc1cccs1 34a_100016270725_100000748579 [0,0,0,0,0,0|1,1,2]=4 62 B12R1.37 C/C=C/COCCc1cccs1 7a_100011216825_100102629194 [0,0,0,0,0,0|1,1,2]=4 63 B12R1.37 C/C=C/CSCCc1cccs1 62a_100000748579_100102629194 [0,0,0,0,0,0|1,1,2]=4 64 B12R1.37 C/C=C/CSCCc1cccs1 62a_100102629194_100000748579 [0,0,0,0,0,0|1,1,2]=4 65 B12R1.37 C=CCCCCSc1ccco1 62a_100009814098_100011215482 [0,0,0,0,0,0|1,0,2]=3 66 B12R1.37 C=CCCCCSc1ccco1 62a_100011215482_100009814098 [0,0,0,0,0,0|1,0,2]=3 67 B12R1.37 C=CCCCCSc1cccs1 62a_100011215356_100011215482 [0,0,0,0,0,0|1,1,2]=4 68 B12R1.37 C=CCCCCSc1cccs1 62a_100011215482_100011215356 [0,0,0,0,0,0|1,1,2]=4 69 B12R1.37 C=CCCCCSc1cnco1 62a_100011215482_100020591547 [0,0,0,0,0,0|2,0,2]=4 70 B12R1.37 C=CCCCCSc1cnco1 62a_100020591547_100011215482 [0,0,0,0,0,0|2,0,2]=4 71 B12R1.37 C=CCCCCSc1ncco1 62a_100011215482_100011787736 [0,0,0,0,0,0|2,0,2]=4 72 B12R1.37 C=CCCCCSc1ncco1 62a_100011787736_100011215482 [0,0,0,0,0,0|2,0,2]=4 73 B12R1.37 C=CCCCNCc1ccco1 2230a_100000185738_100011713584 [0,0,0,0,0,0|1,0,2]=3 74 B12R1.37 C=CCCCNCc1ccco1 270004a_100000700776_100000186105 [0,0,0,0,0,0|1,0,2]=3 75 B12R1.37 C=CCCCNCc1ccco1 34a_100000185738_100000757094 [0,0,0,0,0,0|1,0,2]=3 76 B12R1.37 C=CCCCNCc1cccs1 2230a_100000211653_100011713584 [0,0,0,0,0,0|1,1,2]=4 77 B12R1.37 C=CCCCNCc1cccs1 270004a_100000700776_100000209959 [0,0,0,0,0,0|1,1,2]=4 78 B12R1.37 C=CCCCNCc1cnco1 270004a_100000700776_100000064291 [0,0,0,0,0,0|2,0,2]=4 79 B12R1.37 C=CCCCNCc1ncco1 2230a_100000700776_103436540062 [0,0,0,0,0,0|2,0,2]=4 80 B12R1.37 C=CCCCNCc1ncco1 2230a_100016994969_100011713584 [0,0,0,0,0,0|2,0,2]=4 81 B12R1.37 C=CCCCNCc1ncco1 270004a_100000700776_100000064290 [0,0,0,0,0,0|2,0,2]=4 82 B12R1.37 C=CCCCNCc1ncco1 34a_100000700776_103436540062 [0,0,0,0,0,0|2,0,2]=4 83 B12R1.37 C=CCCCOCc1ccco1 34a_100000210059_100000757094 [0,0,0,0,0,0|1,0,2]=3 84 B12R1.37 C=CCCCOCc1cccs1 34a_100000211240_100000757094 [0,0,0,0,0,0|1,1,2]=4 85 B12R1.37 C=CCCCOCc1ccno1 34a_100000740478_100000757094 [0,0,0,0,0,0|2,0,2]=4 86 B12R1.37 C=CCCCOCc1ncco1 34a_100000062594_100000757094 [0,0,0,0,0,0|2,0,2]=4 87 B12R1.37 C=CCCCOCc1ncco1 34a_100000758997_103436540062 [0,0,0,0,0,0|2,0,2]=4 88 B12R1.37 C=CCCCOCc1ncco1 7a_100000758997_103436540062 [0,0,0,0,0,0|2,0,2]=4 89 B12R1.37 C=CCCCSCc1ncco1 62a_100011713584_103436540062 [0,0,0,0,0,0|2,0,2]=4 90 B12R1.37 C=CCCCSCc1ncco1 62a_103436540062_100000757094 [0,0,0,0,0,0|2,0,2]=4 91 B12R1.37 C=CCCNCCc1ccco1 2230a_100000694680_100000754431 [0,0,0,0,0,0|1,0,2]=3 92 B12R1.37 C=CCCNCCc1ccco1 34a_100000694680_100000754431 [0,0,0,0,0,0|1,0,2]=3 93 B12R1.37 C=CCCNCCc1cccs1 2230a_100000203755_100000754431 [0,0,0,0,0,0|1,1,2]=4 94 B12R1.37 C=CCCNCCc1cccs1 2230a_100015191253_100000748579 [0,0,0,0,0,0|1,1,2]=4 95 B12R1.37 C=CCCNCCc1cccs1 34a_100000203755_100000754431 [0,0,0,0,0,0|1,1,2]=4 96 B12R1.37 C=CCCOCCc1cccs1 34a_100011205117_100000748579 [0,0,0,0,0,0|1,1,2]=4 97 B12R1.37 C=CCCOCCc1cccs1 34a_100011216825_100000754431 [0,0,0,0,0,0|1,1,2]=4 98 B12R1.37 C=CCCOCCc1cccs1 7a_100011216825_100000754431 [0,0,0,0,0,0|1,1,2]=4 99 B12R1.37 C=CCCSCCc1cccs1 62a_100000748579_100000754431 [0,0,0,0,0,0|1,1,2]=4 100 B12R1.37 C=CCCSCCc1cccs1 62a_100000754431_100000748579 [0,0,0,0,0,0|1,1,2]=4 101 B12R1.37 C=CCNCCCc1cccs1 2230a_100020586998_100010992444 [0,0,0,0,0,0|1,1,2]=4 102 B12R1.37 C=CCOCCCc1cccs1 34a_100011713143_100015514636 [0,0,0,0,0,0|1,1,2]=4 103 B12R1.37 C=CCOCCCc1cccs1 34a_200000210373_100010992444 [0,0,0,0,0,0|1,1,2]=4 104 B12R1.37 C=CCOCCCc1cccs1 7a_100011713143_100015514636 [0,0,0,0,0,0|1,1,2]=4 105 B12R1.37 C=CCSCCCc1cccs1 62a_100000210623_100010992444 [0,0,0,0,0,0|1,1,2]=4 106 B12R1.37 C=CCSCCCc1cccs1 62a_100010992444_100000210623 [0,0,0,0,0,0|1,1,2]=4 107 B12R1.37 C=COCCNCc1ccco1 2230a_100000185738_100000039644 [0,0,0,0,0,0|2,0,2]=4 108 B12R1.37 C=COCCNCc1ccco1 34a_100000185738_100000039644 [0,0,0,0,0,0|2,0,2]=4 109 B12R1.37 C=COCCOCc1ccco1 34a_100000210059_100000039644 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.37 CC#CCCOCc1ncco1 34a_100000750427_103436540062 [0,0,0,0,0,0|2,0,2]=4 111 B12R1.37 CC#CCNCCc1ccco1 2230a_100000694680_100000748600 [0,0,0,0,0,0|1,0,2]=3 112 B12R1.37 CC#CCNCCc1ccco1 34a_100000694680_100000748600 [0,0,0,0,0,0|1,0,2]=3 113 B12R1.37 CC#CCNCCc1cccs1 2230a_100000203755_100000748600 [0,0,0,0,0,0|1,1,2]=4 114 B12R1.37 CC#CCNCCc1cccs1 2230a_100000685387_100000748579 [0,0,0,0,0,0|1,1,2]=4 115 B12R1.37 CC#CCNCCc1cccs1 34a_100000203755_100000748600 [0,0,0,0,0,0|1,1,2]=4 116 B12R1.37 CC#CCNCCc1cccs1 34a_100000685387_100000748579 [0,0,0,0,0,0|1,1,2]=4 117 B12R1.37 CC#CCOCCc1cccs1 34a_100000761923_100000748579 [0,0,0,0,0,0|1,1,2]=4 118 B12R1.37 CC#CCOCCc1cccs1 34a_100011216825_100000748600 [0,0,0,0,0,0|1,1,2]=4 119 B12R1.37 CC#CCOCCc1cccs1 7a_100011216825_100000748600 [0,0,0,0,0,0|1,1,2]=4 120 B12R1.37 CC#CCSCCc1cccs1 62a_100000748579_100000748600 [0,0,0,0,0,0|1,1,2]=4 121 B12R1.37 CC#CCSCCc1cccs1 62a_100000748600_100000748579 [0,0,0,0,0,0|1,1,2]=4 122 B12R1.37 CC/C=C\CCSc1ccco1 62a_100009814098_100015370543 [0,0,0,0,0,0|1,0,2]=3 123 B12R1.37 CC/C=C\CCSc1ccco1 62a_100015370543_100009814098 [0,0,0,0,0,0|1,0,2]=3 124 B12R1.37 CC/C=C\CCSc1cccs1 62a_100011215356_100015370543 [0,0,0,0,0,0|1,1,2]=4 125 B12R1.37 CC/C=C\CCSc1cccs1 62a_100015370543_100011215356 [0,0,0,0,0,0|1,1,2]=4 126 B12R1.37 CC/C=C\CCSc1cnco1 62a_100015370543_100020591547 [0,0,0,0,0,0|2,0,2]=4 127 B12R1.37 CC/C=C\CCSc1cnco1 62a_100020591547_100015370543 [0,0,0,0,0,0|2,0,2]=4 128 B12R1.37 CC/C=C\CCSc1ncco1 62a_100011787736_100015370543 [0,0,0,0,0,0|2,0,2]=4 129 B12R1.37 CC/C=C\CCSc1ncco1 62a_100015370543_100011787736 [0,0,0,0,0,0|2,0,2]=4 130 B12R1.37 CC/C=C\CNCc1ccco1 2230a_100000185738_100103147603 [0,0,0,0,0,0|1,0,2]=3 131 B12R1.37 CC/C=C\CNCc1ccco1 34a_100000185738_100103147603 [0,0,0,0,0,0|1,0,2]=3 132 B12R1.37 CC/C=C\CNCc1cccs1 2230a_100000211653_100103147603 [0,0,0,0,0,0|1,1,2]=4 133 B12R1.37 CC/C=C\CNCc1ncco1 2230a_100016994969_100103147603 [0,0,0,0,0,0|2,0,2]=4 134 B12R1.37 CC/C=C\COCc1ccco1 34a_100000210059_100103147603 [0,0,0,0,0,0|1,0,2]=3 135 B12R1.37 CC/C=C\COCc1cccs1 34a_100000211240_100103147603 [0,0,0,0,0,0|1,1,2]=4 136 B12R1.37 CC/C=C\COCc1ccno1 34a_100000740478_100103147603 [0,0,0,0,0,0|2,0,2]=4 137 B12R1.37 CC/C=C\COCc1ncco1 34a_100000062594_100103147603 [0,0,0,0,0,0|2,0,2]=4 138 B12R1.37 CC/C=C\COCc1ncco1 34a_100016268518_103436540062 [0,0,0,0,0,0|2,0,2]=4 139 B12R1.37 CC/C=C\CSCc1ncco1 62a_100103147603_103436540062 [0,0,0,0,0,0|2,0,2]=4 140 B12R1.37 CC/C=C\CSCc1ncco1 62a_103436540062_100103147603 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.37 CC=CCNCCc1ccco1 2230a_100000694680_100000070051 [0,0,0,0,0,0|1,0,2]=3 142 B12R1.37 CC=CCNCCc1ccco1 34a_100000694680_100000070051 [0,0,0,0,0,0|1,0,2]=3 143 B12R1.37 CC=CCNCCc1cccs1 2230a_100000203755_100000070051 [0,0,0,0,0,0|1,1,2]=4 144 B12R1.37 CC=CCNCCc1cccs1 34a_100000203755_100000070051 [0,0,0,0,0,0|1,1,2]=4 145 B12R1.37 CC=CCOCCc1cccs1 34a_100011216825_100000070051 [0,0,0,0,0,0|1,1,2]=4 146 B12R1.37 CC=CCOCCc1cccs1 7a_100011216825_100000070051 [0,0,0,0,0,0|1,1,2]=4 147 B12R1.37 CC=CCSCCc1cccs1 62a_100000070051_100000748579 [0,0,0,0,0,0|1,1,2]=4 148 B12R1.37 CC=CCSCCc1cccs1 62a_100000748579_100000070051 [0,0,0,0,0,0|1,1,2]=4 149 B12R1.37 CCC#CCNCc1ccco1 2230a_100000185738_100009813939 [0,0,0,0,0,0|1,0,2]=3 150 B12R1.37 CCC#CCNCc1ccco1 34a_100000185738_100009813939 [0,0,0,0,0,0|1,0,2]=3 151 B12R1.37 CCC#CCNCc1cccs1 2230a_100000211653_100009813939 [0,0,0,0,0,0|1,1,2]=4 152 B12R1.37 CCC#CCNCc1ncco1 2230a_100016994969_100009813939 [0,0,0,0,0,0|2,0,2]=4 153 B12R1.37 CCC#CCOCc1ccco1 34a_100000210059_100009813939 [0,0,0,0,0,0|1,0,2]=3 154 B12R1.37 CCC#CCOCc1cccs1 34a_100000211240_100009813939 [0,0,0,0,0,0|1,1,2]=4 155 B12R1.37 CCC#CCOCc1ccno1 34a_100000740478_100009813939 [0,0,0,0,0,0|2,0,2]=4 156 B12R1.37 CCC#CCOCc1ncco1 34a_100000032950_103436540062 [0,0,0,0,0,0|2,0,2]=4 157 B12R1.37 CCC#CCOCc1ncco1 34a_100000062594_100009813939 [0,0,0,0,0,0|2,0,2]=4 158 B12R1.37 CCC#CCSCc1ncco1 62a_100009813939_103436540062 [0,0,0,0,0,0|2,0,2]=4 159 B12R1.37 CCC#CCSCc1ncco1 62a_103436540062_100009813939 [0,0,0,0,0,0|2,0,2]=4 160 B12R1.37 CCCCCC=Cc1c[nH]cn1 271570a_100000062253_100000756875 [0,0,0,0,0,0|2,0,2]=4 161 B12R1.37 CCCCCC=Cc1cc[nH]n1 271570a_100000062253_100000062575 [0,0,0,0,0,0|2,0,2]=4 162 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,0,0,0,0,0|0,0,2]=2 163 B12R1.37 CCCCCC=Cc1cccs1 271570a_100000062253_100011215356 [0,0,0,0,0,0|0,1,2]=3 164 B12R1.37 CCCCCC=Cc1ccoc1 271570a_100000062253_100011215275 [0,0,0,0,0,0|2,0,2]=4 165 B12R1.37 CCCCCC=Cc1ccsc1 271570a_100000062253_100000738268 [0,0,0,0,0,0|2,0,2]=4 166 B12R1.37 CCCCCC=Cc1ccsn1 271570a_100000062253_100009818082 [0,0,0,0,0,0|2,0,2]=4 167 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,0,0,0,0,0|1,0,2]=3 168 B12R1.37 CCCCCC=Cc1cncs1 271570a_100000062253_100011934649 [0,0,0,0,0,0|1,1,2]=4 169 B12R1.37 CCCCCC=Cc1cscn1 271570a_100000062253_100000751502 [0,0,0,0,0,0|2,0,2]=4 170 B12R1.37 CCCCCC=Cc1ncc[nH]1 271570a_100000062253_100025796157 [0,0,0,0,0,0|2,0,2]=4 171 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,0,0,0,0,0|1,0,2]=3 172 B12R1.37 CCCCCC=Cc1nccs1 271570a_100000062253_100000211983 [0,0,0,0,0,0|1,1,2]=4 173 B12R1.37 CCCCCCCN1CC=CC1 269982a_100015195280_100000210681 [0,0,0,0,0,0|2,0,1]=3 174 B12R1.37 CCCCCCNC1CC=CC1 2230a_100015188752_100000210314 [0,0,0,0,0,0|2,0,2]=4 175 B12R1.37 CCCCCCNc1ncns1 27a_100000210581_100000693119 [0,0,0,0,0,0|3,1,0]=4 176 B12R1.37 CCCCCCNc1nncs1 27a_100000210581_100000739804 [0,0,0,0,0,0|3,1,0]=4 177 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,0,0,0,0,0|3,0,0]=3 178 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,0,0,0,0,0|3,0,0]=3 179 B12R1.37 CCCCCCSc1c[nH]cn1 62a_100000210314_100000756875 [0,0,0,0,0,0|3,0,0]=3 180 B12R1.37 CCCCCCSc1c[nH]cn1 62a_100000756875_100000210757 [0,0,0,0,0,0|3,0,0]=3 181 B12R1.37 CCCCCCSc1c[nH]nn1 62a_100000210314_100009819707 [0,0,0,0,0,0|4,0,0]=4 182 B12R1.37 CCCCCCSc1c[nH]nn1 62a_100009819707_100000210757 [0,0,0,0,0,0|4,0,0]=4 183 B12R1.37 CCCCCCSc1cc[nH]n1 62a_100000062575_100000210757 [0,0,0,0,0,0|3,0,0]=3 184 B12R1.37 CCCCCCSc1cc[nH]n1 62a_100000210314_100000062575 [0,0,0,0,0,0|3,0,0]=3 185 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,0,0,0,0,0|1,0,0]=1 186 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,0,0,0,0,0|1,0,0]=1 187 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [0,0,0,0,0,0|1,1,0]=2 188 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [0,0,0,0,0,0|1,1,0]=2 189 B12R1.37 CCCCCCSc1ccoc1 62a_100000210314_100011215275 [0,0,0,0,0,0|3,0,0]=3 190 B12R1.37 CCCCCCSc1ccoc1 62a_100011215275_100000210757 [0,0,0,0,0,0|3,0,0]=3 191 B12R1.37 CCCCCCSc1ccon1 62a_100000210314_100009818083 [0,0,0,0,0,0|3,0,0]=3 192 B12R1.37 CCCCCCSc1ccon1 62a_100009818083_100000210757 [0,0,0,0,0,0|3,0,0]=3 193 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,0,0,0,0,0|3,0,0]=3 194 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,0,0,0,0,0|3,0,0]=3 195 B12R1.37 CCCCCCSc1ccsn1 62a_100000210314_100009818082 [0,0,0,0,0,0|3,0,0]=3 196 B12R1.37 CCCCCCSc1ccsn1 62a_100009818082_100000210757 [0,0,0,0,0,0|3,0,0]=3 197 B12R1.37 CCCCCCSc1cn[nH]c1 62a_100000210314_100000238712 [0,0,0,0,0,0|4,0,0]=4 198 B12R1.37 CCCCCCSc1cn[nH]c1 62a_100000238712_100000210757 [0,0,0,0,0,0|4,0,0]=4 199 B12R1.37 CCCCCCSc1cnco1 62a_100000210314_100020591547 [0,0,0,0,0,0|2,0,0]=2 200 B12R1.37 CCCCCCSc1cnco1 62a_100020591547_100000210757 [0,0,0,0,0,0|2,0,0]=2 201 B12R1.37 CCCCCCSc1cncs1 62a_100000210314_100011934649 [0,0,0,0,0,0|2,1,0]=3 202 B12R1.37 CCCCCCSc1cncs1 62a_100011934649_100000210757 [0,0,0,0,0,0|2,1,0]=3 203 B12R1.37 CCCCCCSc1cnoc1 62a_100000210314_100009815712 [0,0,0,0,0,0|4,0,0]=4 204 B12R1.37 CCCCCCSc1cnoc1 62a_100009815712_100000210757 [0,0,0,0,0,0|4,0,0]=4 205 B12R1.37 CCCCCCSc1cnsc1 62a_100000210314_100009815736 [0,0,0,0,0,0|4,0,0]=4 206 B12R1.37 CCCCCCSc1cnsc1 62a_100009815736_100000210757 [0,0,0,0,0,0|4,0,0]=4 207 B12R1.37 CCCCCCSc1cscn1 62a_100000210314_100000751502 [0,0,0,0,0,0|3,0,0]=3 208 B12R1.37 CCCCCCSc1cscn1 62a_100000751502_100000210757 [0,0,0,0,0,0|3,0,0]=3 209 B12R1.37 CCCCCCSc1nc[nH]n1 62a_100000210314_100000761765 [0,0,0,0,0,0|4,0,0]=4 210 B12R1.37 CCCCCCSc1nc[nH]n1 62a_100000761765_100000210757 [0,0,0,0,0,0|4,0,0]=4 211 B12R1.37 CCCCCCSc1ncc[nH]1 62a_100000210314_100025796157 [0,0,0,0,0,0|3,0,0]=3 212 B12R1.37 CCCCCCSc1ncc[nH]1 62a_100025796157_100000210757 [0,0,0,0,0,0|3,0,0]=3 213 B12R1.37 CCCCCCSc1ncco1 62a_100000210314_100011787736 [0,0,0,0,0,0|2,0,0]=2 214 B12R1.37 CCCCCCSc1ncco1 62a_100011787736_100000210757 [0,0,0,0,0,0|2,0,0]=2 215 B12R1.37 CCCCCCSc1nccs1 62a_100000210314_100000211983 [0,0,0,0,0,0|2,1,0]=3 216 B12R1.37 CCCCCCSc1nccs1 62a_100000211983_100000210757 [0,0,0,0,0,0|2,1,0]=3 217 B12R1.37 CCCCCCSc1ncns1 62a_100000210314_100000693119 [0,0,0,0,0,0|3,1,0]=4 218 B12R1.37 CCCCCCSc1ncns1 62a_100000693119_100000210757 [0,0,0,0,0,0|3,1,0]=4 219 B12R1.37 CCCCCCSc1nncs1 62a_100000210314_100000739804 [0,0,0,0,0,0|3,1,0]=4 220 B12R1.37 CCCCCCSc1nncs1 62a_100000739804_100000210757 [0,0,0,0,0,0|3,1,0]=4 221 B12R1.37 CCCCCNCc1c[nH]cn1 2230a_100000209983_100000707719 [0,0,0,0,0,0|3,0,0]=3 222 B12R1.37 CCCCCNCc1cc[nH]n1 207a_100000209983_100000738523 [0,0,0,0,0,0|3,0,0]=3 223 B12R1.37 CCCCCNCc1cc[nH]n1 270004a_100000209983_100000738523 [0,0,0,0,0,0|3,0,0]=3 224 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,0,0,0,0,0|1,0,0]=1 225 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,0,0,0,0,0|1,0,0]=1 226 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,0,0,0,0,0|1,0,0]=1 227 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,0,0,0,0,0|1,0,0]=1 228 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [0,0,0,0,0,0|1,1,0]=2 229 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [0,0,0,0,0,0|1,1,0]=2 230 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [0,0,0,0,0,0|1,1,0]=2 231 B12R1.37 CCCCCNCc1ccn[nH]1 2230a_100000209983_100000728653 [0,0,0,0,0,0|3,0,0]=3 232 B12R1.37 CCCCCNCc1ccoc1 207a_100000209983_100011215517 [0,0,0,0,0,0|3,0,0]=3 233 B12R1.37 CCCCCNCc1ccoc1 2230a_100015206860_100000210326 [0,0,0,0,0,0|3,0,0]=3 234 B12R1.37 CCCCCNCc1ccoc1 270004a_100000209983_100011215517 [0,0,0,0,0,0|3,0,0]=3 235 B12R1.37 CCCCCNCc1ccoc1 34a_100015206860_100000718602 [0,0,0,0,0,0|3,0,0]=3 236 B12R1.37 CCCCCNCc1ccon1 2230a_100000209983_100000234950 [0,0,0,0,0,0|3,0,0]=3 237 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,0,0,0,0,0|3,0,0]=3 238 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,0,0,0,0,0|3,0,0]=3 239 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,0,0,0,0,0|3,0,0]=3 240 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,0,0,0,0,0|3,0,0]=3 241 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,0,0,0,0,0|3,0,0]=3 242 B12R1.37 CCCCCNCc1cn[nH]c1 207a_100000209983_100016992096 [0,0,0,0,0,0|4,0,0]=4 243 B12R1.37 CCCCCNCc1cn[nH]c1 270004a_100000209983_100016992096 [0,0,0,0,0,0|4,0,0]=4 244 B12R1.37 CCCCCNCc1cnc[nH]1 207a_100000209983_100000742939 [0,0,0,0,0,0|3,0,0]=3 245 B12R1.37 CCCCCNCc1cnco1 270004a_100000209983_100000064291 [0,0,0,0,0,0|2,0,0]=2 246 B12R1.37 CCCCCNCc1cncs1 207a_100000209983_100000749870 [0,0,0,0,0,0|2,1,0]=3 247 B12R1.37 CCCCCNCc1cncs1 2230a_100000209983_100015185245 [0,0,0,0,0,0|2,1,0]=3 248 B12R1.37 CCCCCNCc1cncs1 2230a_100016987365_100000210326 [0,0,0,0,0,0|2,1,0]=3 249 B12R1.37 CCCCCNCc1cncs1 270004a_100000209983_100000749870 [0,0,0,0,0,0|2,1,0]=3 250 B12R1.37 CCCCCNCc1cocn1 270004a_100000209983_100000050382 [0,0,0,0,0,0|3,0,0]=3 251 B12R1.37 CCCCCNCc1cscn1 207a_100000209983_100000743575 [0,0,0,0,0,0|3,0,0]=3 252 B12R1.37 CCCCCNCc1cscn1 2230a_100000209983_100000205941 [0,0,0,0,0,0|3,0,0]=3 253 B12R1.37 CCCCCNCc1cscn1 2230a_100015185402_100000210326 [0,0,0,0,0,0|3,0,0]=3 254 B12R1.37 CCCCCNCc1cscn1 270004a_100000209983_100000743575 [0,0,0,0,0,0|3,0,0]=3 255 B12R1.37 CCCCCNCc1csnn1 270004a_100000209983_100000738508 [0,0,0,0,0,0|4,0,0]=4 256 B12R1.37 CCCCCNCc1ncc[nH]1 207a_100000209983_100000743867 [0,0,0,0,0,0|3,0,0]=3 257 B12R1.37 CCCCCNCc1ncc[nH]1 2230a_100000209983_100016991755 [0,0,0,0,0,0|3,0,0]=3 258 B12R1.37 CCCCCNCc1ncco1 2230a_100000209983_103436540062 [0,0,0,0,0,0|2,0,0]=2 259 B12R1.37 CCCCCNCc1ncco1 2230a_100016994969_100000210326 [0,0,0,0,0,0|2,0,0]=2 260 B12R1.37 CCCCCNCc1ncco1 270004a_100000209983_100000064290 [0,0,0,0,0,0|2,0,0]=2 261 B12R1.37 CCCCCNCc1nccs1 207a_100000209983_100000750902 [0,0,0,0,0,0|2,1,0]=3 262 B12R1.37 CCCCCNCc1nccs1 2230a_100000209983_100015184050 [0,0,0,0,0,0|2,1,0]=3 263 B12R1.37 CCCCCNCc1nccs1 2230a_100000740555_100000210326 [0,0,0,0,0,0|2,1,0]=3 264 B12R1.37 CCCCCNCc1nccs1 270004a_100000209983_100000750902 [0,0,0,0,0,0|2,1,0]=3 265 B12R1.37 CCCCCNCc1nnc[nH]1 2230a_200015183720_100000210326 [0,0,0,0,0,0|4,0,0]=4 266 B12R1.37 CCCCCNCn1cncn1 2230a_100000209983_200020645497 [0,0,0,0,0,0|4,0,0]=4 267 B12R1.37 CCCCCNN=C1C=CCC1 4a_100000694160_100000239507 [0,0,0,0,0,0|3,0,1]=4 268 B12R1.37 CCCCCNN=C1CC=CC1 4a_100000694160_100000766571 [0,0,0,0,0,0|3,0,1]=4 269 B12R1.37 CCCCCOCC1CC=CC1 34a_100000688395_100000718602 [0,0,0,0,0,0|2,0,2]=4 270 B12R1.37 CCCCCOCc1c[nH]cn1 34a_100000210253_100000707719 [0,0,0,0,0,0|3,0,0]=3 271 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,0,0,0,0,0|1,0,0]=1 272 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [0,0,0,0,0,0|1,1,0]=2 273 B12R1.37 CCCCCOCc1ccn[nH]1 34a_100000210253_100000728653 [0,0,0,0,0,0|3,0,0]=3 274 B12R1.37 CCCCCOCc1ccn[nH]1 7a_100000210253_100000728653 [0,0,0,0,0,0|3,0,0]=3 275 B12R1.37 CCCCCOCc1ccno1 34a_100000740478_100000718602 [0,0,0,0,0,0|2,0,0]=2 276 B12R1.37 CCCCCOCc1ccoc1 34a_100011215357_100000718602 [0,0,0,0,0,0|3,0,0]=3 277 B12R1.37 CCCCCOCc1ccon1 34a_100000210253_100000234950 [0,0,0,0,0,0|3,0,0]=3 278 B12R1.37 CCCCCOCc1ccon1 7a_100000210253_100000234950 [0,0,0,0,0,0|3,0,0]=3 279 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,0,0,0,0,0|3,0,0]=3 280 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,0,0,0,0,0|3,0,0]=3 281 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,0,0,0,0,0|3,0,0]=3 282 B12R1.37 CCCCCOCc1cncs1 34a_100000210253_100015185245 [0,0,0,0,0,0|2,1,0]=3 283 B12R1.37 CCCCCOCc1cncs1 7a_100000210253_100015185245 [0,0,0,0,0,0|2,1,0]=3 284 B12R1.37 CCCCCOCc1cscn1 34a_100000210253_100000205941 [0,0,0,0,0,0|3,0,0]=3 285 B12R1.37 CCCCCOCc1cscn1 7a_100000210253_100000205941 [0,0,0,0,0,0|3,0,0]=3 286 B12R1.37 CCCCCOCc1ncc[nH]1 34a_100000210253_100016991755 [0,0,0,0,0,0|3,0,0]=3 287 B12R1.37 CCCCCOCc1ncc[nH]1 7a_100000210253_100000753453 [0,0,0,0,0,0|3,0,0]=3 288 B12R1.37 CCCCCOCc1ncco1 34a_100000062594_100000718602 [0,0,0,0,0,0|2,0,0]=2 289 B12R1.37 CCCCCOCc1ncco1 34a_100000210253_103436540062 [0,0,0,0,0,0|2,0,0]=2 290 B12R1.37 CCCCCOCc1ncco1 7a_100000210253_103436540062 [0,0,0,0,0,0|2,0,0]=2 291 B12R1.37 CCCCCOCc1nccs1 34a_100000210253_100015184050 [0,0,0,0,0,0|2,1,0]=3 292 B12R1.37 CCCCCOCc1nccs1 7a_100000210253_100015184050 [0,0,0,0,0,0|2,1,0]=3 293 B12R1.37 CCCCCOCc1ncon1 34a_100000210253_100000233494 [0,0,0,0,0,0|4,0,0]=4 294 B12R1.37 CCCCCOCn1cccn1 34a_100000731028_100000718602 [0,0,0,0,0,0|3,0,0]=3 295 B12R1.37 CCCCCOCn1cncn1 34a_100000210253_200020645497 [0,0,0,0,0,0|4,0,0]=4 296 B12R1.37 CCCCCOCn1cncn1 7a_100000210253_200020645497 [0,0,0,0,0,0|4,0,0]=4 297 B12R1.37 CCCCCSCc1c[nH]cn1 62a_100000210326_100000707719 [0,0,0,0,0,0|3,0,0]=3 298 B12R1.37 CCCCCSCc1c[nH]cn1 62a_100000707719_100000210326 [0,0,0,0,0,0|3,0,0]=3 299 B12R1.37 CCCCCSCc1ccn[nH]1 62a_100000210326_100000728653 [0,0,0,0,0,0|3,0,0]=3 300 B12R1.37 CCCCCSCc1ccn[nH]1 62a_100000728653_100000210326 [0,0,0,0,0,0|3,0,0]=3 301 B12R1.37 CCCCCSCc1ccon1 62a_100000210326_100000234950 [0,0,0,0,0,0|3,0,0]=3 302 B12R1.37 CCCCCSCc1ccon1 62a_100000234950_100000210326 [0,0,0,0,0,0|3,0,0]=3 303 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,0,0,0,0,0|3,0,0]=3 304 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,0,0,0,0,0|3,0,0]=3 305 B12R1.37 CCCCCSCc1cncs1 62a_100000210326_100015185245 [0,0,0,0,0,0|2,1,0]=3 306 B12R1.37 CCCCCSCc1cncs1 62a_100015185245_100000210326 [0,0,0,0,0,0|2,1,0]=3 307 B12R1.37 CCCCCSCc1cscn1 62a_100000205941_100000210326 [0,0,0,0,0,0|3,0,0]=3 308 B12R1.37 CCCCCSCc1cscn1 62a_100000210326_100000205941 [0,0,0,0,0,0|3,0,0]=3 309 B12R1.37 CCCCCSCc1ncc[nH]1 62a_100000210326_100016991755 [0,0,0,0,0,0|3,0,0]=3 310 B12R1.37 CCCCCSCc1ncc[nH]1 62a_100016991755_100000210326 [0,0,0,0,0,0|3,0,0]=3 311 B12R1.37 CCCCCSCc1ncco1 62a_100000210326_103436540062 [0,0,0,0,0,0|2,0,0]=2 312 B12R1.37 CCCCCSCc1ncco1 62a_103436540062_100000210326 [0,0,0,0,0,0|2,0,0]=2 313 B12R1.37 CCCCCSCc1nccs1 62a_100000210326_100015184050 [0,0,0,0,0,0|2,1,0]=3 314 B12R1.37 CCCCCSCc1nccs1 62a_100015184050_100000210326 [0,0,0,0,0,0|2,1,0]=3 315 B12R1.37 CCCCCSCc1ncon1 62a_100000210326_100000233494 [0,0,0,0,0,0|4,0,0]=4 316 B12R1.37 CCCCCSCc1ncon1 62a_100000233494_100000210326 [0,0,0,0,0,0|4,0,0]=4 317 B12R1.37 CCCCCSCn1cncn1 62a_100000210326_200020645497 [0,0,0,0,0,0|4,0,0]=4 318 B12R1.37 CCCCCSCn1cncn1 62a_200020645497_100000210326 [0,0,0,0,0,0|4,0,0]=4 319 B12R1.37 CCCCNCCc1c[nH]cn1 2230a_100000102301_100020628418 [0,0,0,0,0,0|3,0,0]=3 320 B12R1.37 CCCCNCCc1c[nH]cn1 7a_106832991798_100020628418 [0,0,0,0,0,0|3,0,0]=3 321 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,0,0,0,0,0|1,0,0]=1 322 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,0,0,0,0,0|1,0,0]=1 323 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [0,0,0,0,0,0|1,1,0]=2 324 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [0,0,0,0,0,0|1,1,0]=2 325 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [0,0,0,0,0,0|1,1,0]=2 326 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [0,0,0,0,0,0|1,1,0]=2 327 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,0,0,0,0,0|3,0,0]=3 328 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,0,0,0,0,0|3,0,0]=3 329 B12R1.37 CCCCNCCc1cn[nH]c1 2230a_100000102301_100000743252 [0,0,0,0,0,0|4,0,0]=4 330 B12R1.37 CCCCNCCc1cn[nH]c1 2230a_100000732747_100000210211 [0,0,0,0,0,0|4,0,0]=4 331 B12R1.37 CCCCNCCc1cn[nH]c1 7a_106832991798_100000743252 [0,0,0,0,0,0|4,0,0]=4 332 B12R1.37 CCCCNCCc1cncs1 2230a_100016991637_100000210211 [0,0,0,0,0,0|2,1,0]=3 333 B12R1.37 CCCCNCCc1nccs1 2230a_100015186391_100000210211 [0,0,0,0,0,0|2,1,0]=3 334 B12R1.37 CCCCNCCn1cccc1 2230a_100000102301_200009811947 [0,0,0,0,0,0|3,0,0]=3 335 B12R1.37 CCCCNCCn1cccc1 34a_100011368172_100000210210 [0,0,0,0,0,0|3,0,0]=3 336 B12R1.37 CCCCNCCn1cccc1 7a_106832991798_200000035178 [0,0,0,0,0,0|3,0,0]=3 337 B12R1.37 CCCCNCCn1cccn1 2230a_100000102301_100000685285 [0,0,0,0,0,0|3,0,0]=3 338 B12R1.37 CCCCNCCn1cccn1 2230a_100011200920_100000210211 [0,0,0,0,0,0|3,0,0]=3 339 B12R1.37 CCCCNCCn1cccn1 7a_106832991798_100000685285 [0,0,0,0,0,0|3,0,0]=3 340 B12R1.37 CCCCNCCn1ccnc1 7a_106832991798_100000702546 [0,0,0,0,0,0|4,0,0]=4 341 B12R1.37 CCCCNCCn1cncn1 2230a_100000102301_100000731791 [0,0,0,0,0,0|4,0,0]=4 342 B12R1.37 CCCCNCCn1cncn1 2230a_200000738561_100000210211 [0,0,0,0,0,0|4,0,0]=4 343 B12R1.37 CCCCNCCn1cncn1 7a_106832991798_100000731791 [0,0,0,0,0,0|4,0,0]=4 344 B12R1.37 CCCCNN=Cc1ccc[nH]1 4a_100025702795_100000211237 [0,0,0,0,0,0|3,0,1]=4 345 B12R1.37 CCCCNN=Cc1ccco1 4a_100025702795_100000186105 [0,0,0,0,0,0|2,0,1]=3 346 B12R1.37 CCCCNN=Cc1cccs1 4a_100025702795_100000209959 [0,0,0,0,0,0|2,1,1]=4 347 B12R1.37 CCCCNN=Cc1cnco1 4a_100025702795_100000064291 [0,0,0,0,0,0|3,0,1]=4 348 B12R1.37 CCCCNN=Cc1ncco1 4a_100025702795_100000064290 [0,0,0,0,0,0|3,0,1]=4 349 B12R1.37 CCCCOCCN1CC=CC1 269982a_100015195280_100000743108 [0,0,0,0,0,0|3,0,1]=4 350 B12R1.37 CCCCOCC[n+]1ccsc1 34a_200000100414_100000210210 [0,0,0,0,0,0|4,0,0]=4 351 B12R1.37 CCCCOCCc1c[nH]cn1 7a_100000210227_100020628418 [0,0,0,0,0,0|3,0,0]=3 352 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,0,0,0,0,0|1,1,0]=2 353 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,0,0,0,0,0|1,1,0]=2 354 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,0,0,0,0,0|1,1,0]=2 355 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,0,0,0,0,0|1,1,0]=2 356 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,0,0,0,0,0|3,0,0]=3 357 B12R1.37 CCCCOCCc1cn[nH]c1 34a_100000766553_100000210210 [0,0,0,0,0,0|4,0,0]=4 358 B12R1.37 CCCCOCCc1cn[nH]c1 7a_100000210227_100000743252 [0,0,0,0,0,0|4,0,0]=4 359 B12R1.37 CCCCOCCc1cnoc1 34a_100000732699_100000210210 [0,0,0,0,0,0|4,0,0]=4 360 B12R1.37 CCCCOCCc1ncc[nH]1 34a_103549771195_100000210210 [0,0,0,0,0,0|3,0,0]=3 361 B12R1.37 CCCCOCCn1cccc1 34a_100000179382_100000210210 [0,0,0,0,0,0|3,0,0]=3 362 B12R1.37 CCCCOCCn1cccc1 7a_100000210227_200000035178 [0,0,0,0,0,0|3,0,0]=3 363 B12R1.37 CCCCOCCn1cccn1 34a_100000210227_100015204718 [0,0,0,0,0,0|3,0,0]=3 364 B12R1.37 CCCCOCCn1cccn1 34a_100000743371_100000210210 [0,0,0,0,0,0|3,0,0]=3 365 B12R1.37 CCCCOCCn1cccn1 7a_100000210227_100000685285 [0,0,0,0,0,0|3,0,0]=3 366 B12R1.37 CCCCOCCn1ccnc1 34a_100000719764_100000210210 [0,0,0,0,0,0|4,0,0]=4 367 B12R1.37 CCCCOCCn1ccnc1 7a_100000210227_100000702546 [0,0,0,0,0,0|4,0,0]=4 368 B12R1.37 CCCCOCCn1ccnn1 34a_100000080814_100000210210 [0,0,0,0,0,0|4,0,0]=4 369 B12R1.37 CCCCOCCn1cncn1 34a_100000210227_200000749826 [0,0,0,0,0,0|4,0,0]=4 370 B12R1.37 CCCCOCCn1cncn1 34a_100000745309_100000210210 [0,0,0,0,0,0|4,0,0]=4 371 B12R1.37 CCCCOCCn1cncn1 7a_100000210227_100000731791 [0,0,0,0,0,0|4,0,0]=4 372 B12R1.37 CCCCOCOc1ccsc1 34a_100000106738_100011995733 [0,0,0,0,0,0|4,0,0]=4 373 B12R1.37 CCCCOCSc1c[nH]cn1 62a_100000756875_100011995733 [0,0,0,0,0,0|4,0,0]=4 374 B12R1.37 CCCCOCSc1c[nH]cn1 62a_100011995733_100000756875 [0,0,0,0,0,0|4,0,0]=4 375 B12R1.37 CCCCOCSc1cc[nH]n1 62a_100000062575_100011995733 [0,0,0,0,0,0|4,0,0]=4 376 B12R1.37 CCCCOCSc1cc[nH]n1 62a_100011995733_100000062575 [0,0,0,0,0,0|4,0,0]=4 377 B12R1.37 CCCCOCSc1ccco1 62a_100009814098_100011995733 [0,0,0,0,0,0|2,0,0]=2 378 B12R1.37 CCCCOCSc1ccco1 62a_100011995733_100009814098 [0,0,0,0,0,0|2,0,0]=2 379 B12R1.37 CCCCOCSc1cccs1 62a_100011215356_100011995733 [0,0,0,0,0,0|2,1,0]=3 380 B12R1.37 CCCCOCSc1cccs1 62a_100011995733_100011215356 [0,0,0,0,0,0|2,1,0]=3 381 B12R1.37 CCCCOCSc1ccoc1 62a_100011215275_100011995733 [0,0,0,0,0,0|4,0,0]=4 382 B12R1.37 CCCCOCSc1ccoc1 62a_100011995733_100011215275 [0,0,0,0,0,0|4,0,0]=4 383 B12R1.37 CCCCOCSc1ccon1 62a_100009818083_100011995733 [0,0,0,0,0,0|4,0,0]=4 384 B12R1.37 CCCCOCSc1ccon1 62a_100011995733_100009818083 [0,0,0,0,0,0|4,0,0]=4 385 B12R1.37 CCCCOCSc1ccsc1 62a_100000738268_100011995733 [0,0,0,0,0,0|4,0,0]=4 386 B12R1.37 CCCCOCSc1ccsc1 62a_100011995733_100000738268 [0,0,0,0,0,0|4,0,0]=4 387 B12R1.37 CCCCOCSc1ccsn1 62a_100009818082_100011995733 [0,0,0,0,0,0|4,0,0]=4 388 B12R1.37 CCCCOCSc1ccsn1 62a_100011995733_100009818082 [0,0,0,0,0,0|4,0,0]=4 389 B12R1.37 CCCCOCSc1cnco1 62a_100011995733_100020591547 [0,0,0,0,0,0|3,0,0]=3 390 B12R1.37 CCCCOCSc1cnco1 62a_100020591547_100011995733 [0,0,0,0,0,0|3,0,0]=3 391 B12R1.37 CCCCOCSc1cncs1 62a_100011934649_100011995733 [0,0,0,0,0,0|3,1,0]=4 392 B12R1.37 CCCCOCSc1cncs1 62a_100011995733_100011934649 [0,0,0,0,0,0|3,1,0]=4 393 B12R1.37 CCCCOCSc1cscn1 62a_100000751502_100011995733 [0,0,0,0,0,0|4,0,0]=4 394 B12R1.37 CCCCOCSc1cscn1 62a_100011995733_100000751502 [0,0,0,0,0,0|4,0,0]=4 395 B12R1.37 CCCCOCSc1ncc[nH]1 62a_100011995733_100025796157 [0,0,0,0,0,0|4,0,0]=4 396 B12R1.37 CCCCOCSc1ncc[nH]1 62a_100025796157_100011995733 [0,0,0,0,0,0|4,0,0]=4 397 B12R1.37 CCCCOCSc1ncco1 62a_100011787736_100011995733 [0,0,0,0,0,0|3,0,0]=3 398 B12R1.37 CCCCOCSc1ncco1 62a_100011995733_100011787736 [0,0,0,0,0,0|3,0,0]=3 399 B12R1.37 CCCCOCSc1nccs1 62a_100000211983_100011995733 [0,0,0,0,0,0|3,1,0]=4 400 B12R1.37 CCCCOCSc1nccs1 62a_100011995733_100000211983 [0,0,0,0,0,0|3,1,0]=4 401 B12R1.37 CCCCSCCc1c[nH]cn1 62a_100000210211_100020628418 [0,0,0,0,0,0|3,0,0]=3 402 B12R1.37 CCCCSCCc1c[nH]cn1 62a_100020628418_100000210210 [0,0,0,0,0,0|3,0,0]=3 403 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [0,0,0,0,0,0|1,1,0]=2 404 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [0,0,0,0,0,0|1,1,0]=2 405 B12R1.37 CCCCSCCc1cn[nH]c1 62a_100000210211_100000743252 [0,0,0,0,0,0|4,0,0]=4 406 B12R1.37 CCCCSCCc1cn[nH]c1 62a_100000743252_100000210210 [0,0,0,0,0,0|4,0,0]=4 407 B12R1.37 CCCCSCCn1cccc1 62a_100000210211_200000035178 [0,0,0,0,0,0|3,0,0]=3 408 B12R1.37 CCCCSCCn1cccc1 62a_200009811947_100000210210 [0,0,0,0,0,0|3,0,0]=3 409 B12R1.37 CCCCSCCn1cccn1 62a_100000210211_100000685285 [0,0,0,0,0,0|3,0,0]=3 410 B12R1.37 CCCCSCCn1cccn1 62a_100015204718_100000210210 [0,0,0,0,0,0|3,0,0]=3 411 B12R1.37 CCCCSCCn1ccnc1 62a_100000210211_100000702546 [0,0,0,0,0,0|4,0,0]=4 412 B12R1.37 CCCCSCCn1ccnc1 62a_100000702546_100000210210 [0,0,0,0,0,0|4,0,0]=4 413 B12R1.37 CCCCSCCn1cncn1 62a_100000210211_100000731791 [0,0,0,0,0,0|4,0,0]=4 414 B12R1.37 CCCCSCCn1cncn1 62a_100000731791_100000210210 [0,0,0,0,0,0|4,0,0]=4 415 B12R1.37 CCCNCC=Cc1ccco1 270004a_100020643023_100000185671 [0,0,0,0,0,0|1,0,2]=3 416 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,0,0,0,0,0|1,1,0]=2 417 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,0,0,0,0,0|1,1,0]=2 418 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,0,0,0,0,0|1,1,0]=2 419 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,0,0,0,0,0|3,0,0]=3 420 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,0,0,0,0,0|3,0,0]=3 421 B12R1.37 CCCOCCCc1cnoc1 34a_100011738005_100000210303 [0,0,0,0,0,0|4,0,0]=4 422 B12R1.37 CCCOCCCn1cccc1 34a_100000179399_100000210303 [0,0,0,0,0,0|3,0,0]=3 423 B12R1.37 CCCOCCCn1cccc1 34a_100000210258_200009814367 [0,0,0,0,0,0|3,0,0]=3 424 B12R1.37 CCCOCCCn1cccc1 7a_100000179399_100000210303 [0,0,0,0,0,0|3,0,0]=3 425 B12R1.37 CCCOCCCn1cccn1 34a_100000753614_100000210303 [0,0,0,0,0,0|3,0,0]=3 426 B12R1.37 CCCOCCCn1ccnc1 34a_100000210258_100000756272 [0,0,0,0,0,0|4,0,0]=4 427 B12R1.37 CCCOCCCn1ccnc1 34a_100000240236_100000210303 [0,0,0,0,0,0|4,0,0]=4 428 B12R1.37 CCCOCCCn1cncn1 34a_100000210258_100102700105 [0,0,0,0,0,0|4,0,0]=4 429 B12R1.37 CCCOCCCn1cncn1 34a_100011305697_100000210303 [0,0,0,0,0,0|4,0,0]=4 430 B12R1.37 CCCOCCOc1ccsc1 34a_100000106738_100011215938 [0,0,0,0,0,0|4,0,0]=4 431 B12R1.37 CCCOCCOc1ccsc1 7a_100000106738_100011215938 [0,0,0,0,0,0|4,0,0]=4 432 B12R1.37 CCCOCCSc1c[nH]cn1 62a_100000756875_100011215938 [0,0,0,0,0,0|4,0,0]=4 433 B12R1.37 CCCOCCSc1c[nH]cn1 62a_100011215938_100000756875 [0,0,0,0,0,0|4,0,0]=4 434 B12R1.37 CCCOCCSc1cc[nH]n1 62a_100000062575_100011215938 [0,0,0,0,0,0|4,0,0]=4 435 B12R1.37 CCCOCCSc1cc[nH]n1 62a_100011215938_100000062575 [0,0,0,0,0,0|4,0,0]=4 436 B12R1.37 CCCOCCSc1ccco1 62a_100009814098_100011215938 [0,0,0,0,0,0|2,0,0]=2 437 B12R1.37 CCCOCCSc1ccco1 62a_100011215938_100009814098 [0,0,0,0,0,0|2,0,0]=2 438 B12R1.37 CCCOCCSc1cccs1 62a_100011215356_100011215938 [0,0,0,0,0,0|2,1,0]=3 439 B12R1.37 CCCOCCSc1cccs1 62a_100011215938_100011215356 [0,0,0,0,0,0|2,1,0]=3 440 B12R1.37 CCCOCCSc1ccoc1 62a_100011215275_100011215938 [0,0,0,0,0,0|4,0,0]=4 441 B12R1.37 CCCOCCSc1ccoc1 62a_100011215938_100011215275 [0,0,0,0,0,0|4,0,0]=4 442 B12R1.37 CCCOCCSc1ccon1 62a_100009818083_100011215938 [0,0,0,0,0,0|4,0,0]=4 443 B12R1.37 CCCOCCSc1ccon1 62a_100011215938_100009818083 [0,0,0,0,0,0|4,0,0]=4 444 B12R1.37 CCCOCCSc1ccsc1 62a_100000738268_100011215938 [0,0,0,0,0,0|4,0,0]=4 445 B12R1.37 CCCOCCSc1ccsc1 62a_100011215938_100000738268 [0,0,0,0,0,0|4,0,0]=4 446 B12R1.37 CCCOCCSc1ccsn1 62a_100009818082_100011215938 [0,0,0,0,0,0|4,0,0]=4 447 B12R1.37 CCCOCCSc1ccsn1 62a_100011215938_100009818082 [0,0,0,0,0,0|4,0,0]=4 448 B12R1.37 CCCOCCSc1cnco1 62a_100011215938_100020591547 [0,0,0,0,0,0|3,0,0]=3 449 B12R1.37 CCCOCCSc1cnco1 62a_100020591547_100011215938 [0,0,0,0,0,0|3,0,0]=3 450 B12R1.37 CCCOCCSc1cncs1 62a_100011215938_100011934649 [0,0,0,0,0,0|3,1,0]=4 451 B12R1.37 CCCOCCSc1cncs1 62a_100011934649_100011215938 [0,0,0,0,0,0|3,1,0]=4 452 B12R1.37 CCCOCCSc1cscn1 62a_100000751502_100011215938 [0,0,0,0,0,0|4,0,0]=4 453 B12R1.37 CCCOCCSc1cscn1 62a_100011215938_100000751502 [0,0,0,0,0,0|4,0,0]=4 454 B12R1.37 CCCOCCSc1ncc[nH]1 62a_100011215938_100025796157 [0,0,0,0,0,0|4,0,0]=4 455 B12R1.37 CCCOCCSc1ncc[nH]1 62a_100025796157_100011215938 [0,0,0,0,0,0|4,0,0]=4 456 B12R1.37 CCCOCCSc1ncco1 62a_100011215938_100011787736 [0,0,0,0,0,0|3,0,0]=3 457 B12R1.37 CCCOCCSc1ncco1 62a_100011787736_100011215938 [0,0,0,0,0,0|3,0,0]=3 458 B12R1.37 CCCOCCSc1nccs1 62a_100000211983_100011215938 [0,0,0,0,0,0|3,1,0]=4 459 B12R1.37 CCCOCCSc1nccs1 62a_100011215938_100000211983 [0,0,0,0,0,0|3,1,0]=4 460 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [0,0,0,0,0,0|1,1,0]=2 461 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [0,0,0,0,0,0|1,1,0]=2 462 B12R1.37 CCCSCCCn1cccc1 62a_100000210303_200009814367 [0,0,0,0,0,0|3,0,0]=3 463 B12R1.37 CCCSCCCn1cccc1 62a_200009814367_100000210303 [0,0,0,0,0,0|3,0,0]=3 464 B12R1.37 CCCSCCCn1cccn1 62a_100000210303_100000739983 [0,0,0,0,0,0|3,0,0]=3 465 B12R1.37 CCCSCCCn1cccn1 62a_100000739983_100000210303 [0,0,0,0,0,0|3,0,0]=3 466 B12R1.37 CCCSCCCn1ccnc1 62a_100000210303_100000756272 [0,0,0,0,0,0|4,0,0]=4 467 B12R1.37 CCCSCCCn1ccnc1 62a_100000756272_100000210303 [0,0,0,0,0,0|4,0,0]=4 468 B12R1.37 CCCSCCCn1cncn1 62a_100000210303_100102700105 [0,0,0,0,0,0|4,0,0]=4 469 B12R1.37 CCCSCCCn1cncn1 62a_100102700105_100000210303 [0,0,0,0,0,0|4,0,0]=4 470 B12R1.37 CCNCCSCc1ccco1 2230a_100000184675_100000210202 [0,0,0,0,0,0|2,0,0]=2 471 B12R1.37 CCNCCSCc1ccco1 7a_100000184675_100000210202 [0,0,0,0,0,0|2,0,0]=2 472 B12R1.37 CCOCCCOc1ccsc1 34a_100000106738_100012232248 [0,0,0,0,0,0|4,0,0]=4 473 B12R1.37 CCOCCCOc1ccsc1 7a_100000106738_100012232248 [0,0,0,0,0,0|4,0,0]=4 474 B12R1.37 CCOCCCSc1c[nH]cn1 62a_100000756875_100012232248 [0,0,0,0,0,0|4,0,0]=4 475 B12R1.37 CCOCCCSc1c[nH]cn1 62a_100012232248_100000756875 [0,0,0,0,0,0|4,0,0]=4 476 B12R1.37 CCOCCCSc1cc[nH]n1 62a_100000062575_100012232248 [0,0,0,0,0,0|4,0,0]=4 477 B12R1.37 CCOCCCSc1cc[nH]n1 62a_100012232248_100000062575 [0,0,0,0,0,0|4,0,0]=4 478 B12R1.37 CCOCCCSc1ccco1 62a_100009814098_100012232248 [0,0,0,0,0,0|2,0,0]=2 479 B12R1.37 CCOCCCSc1ccco1 62a_100012232248_100009814098 [0,0,0,0,0,0|2,0,0]=2 480 B12R1.37 CCOCCCSc1cccs1 62a_100011215356_100012232248 [0,0,0,0,0,0|2,1,0]=3 481 B12R1.37 CCOCCCSc1cccs1 62a_100012232248_100011215356 [0,0,0,0,0,0|2,1,0]=3 482 B12R1.37 CCOCCCSc1ccoc1 62a_100011215275_100012232248 [0,0,0,0,0,0|4,0,0]=4 483 B12R1.37 CCOCCCSc1ccoc1 62a_100012232248_100011215275 [0,0,0,0,0,0|4,0,0]=4 484 B12R1.37 CCOCCCSc1ccon1 62a_100009818083_100012232248 [0,0,0,0,0,0|4,0,0]=4 485 B12R1.37 CCOCCCSc1ccon1 62a_100012232248_100009818083 [0,0,0,0,0,0|4,0,0]=4 486 B12R1.37 CCOCCCSc1ccsc1 62a_100000738268_100012232248 [0,0,0,0,0,0|4,0,0]=4 487 B12R1.37 CCOCCCSc1ccsc1 62a_100012232248_100000738268 [0,0,0,0,0,0|4,0,0]=4 488 B12R1.37 CCOCCCSc1ccsn1 62a_100009818082_100012232248 [0,0,0,0,0,0|4,0,0]=4 489 B12R1.37 CCOCCCSc1ccsn1 62a_100012232248_100009818082 [0,0,0,0,0,0|4,0,0]=4 490 B12R1.37 CCOCCCSc1cnco1 62a_100012232248_100020591547 [0,0,0,0,0,0|3,0,0]=3 491 B12R1.37 CCOCCCSc1cnco1 62a_100020591547_100012232248 [0,0,0,0,0,0|3,0,0]=3 492 B12R1.37 CCOCCCSc1cncs1 62a_100011934649_100012232248 [0,0,0,0,0,0|3,1,0]=4 493 B12R1.37 CCOCCCSc1cncs1 62a_100012232248_100011934649 [0,0,0,0,0,0|3,1,0]=4 494 B12R1.37 CCOCCCSc1cscn1 62a_100000751502_100012232248 [0,0,0,0,0,0|4,0,0]=4 495 B12R1.37 CCOCCCSc1cscn1 62a_100012232248_100000751502 [0,0,0,0,0,0|4,0,0]=4 496 B12R1.37 CCOCCCSc1ncc[nH]1 62a_100012232248_100025796157 [0,0,0,0,0,0|4,0,0]=4 497 B12R1.37 CCOCCCSc1ncc[nH]1 62a_100025796157_100012232248 [0,0,0,0,0,0|4,0,0]=4 498 B12R1.37 CCOCCCSc1ncco1 62a_100011787736_100012232248 [0,0,0,0,0,0|3,0,0]=3 499 B12R1.37 CCOCCCSc1ncco1 62a_100012232248_100011787736 [0,0,0,0,0,0|3,0,0]=3 500 B12R1.37 CCOCCCSc1nccs1 62a_100000211983_100012232248 [0,0,0,0,0,0|3,1,0]=4 501 B12R1.37 CCOCCCSc1nccs1 62a_100012232248_100000211983 [0,0,0,0,0,0|3,1,0]=4 502 B12R1.37 CCOCCNCc1c[nH]cn1 2230a_102516460346_100000707719 [0,0,0,0,0,0|4,0,0]=4 503 B12R1.37 CCOCCNCc1c[nH]cn1 34a_102516460346_100000707719 [0,0,0,0,0,0|4,0,0]=4 504 B12R1.37 CCOCCNCc1cc[nH]n1 207a_100011200944_100000738523 [0,0,0,0,0,0|4,0,0]=4 505 B12R1.37 CCOCCNCc1cc[nH]n1 270004a_102516460346_100000738523 [0,0,0,0,0,0|4,0,0]=4 506 B12R1.37 CCOCCNCc1ccco1 207a_100011200944_100000186105 [0,0,0,0,0,0|2,0,0]=2 507 B12R1.37 CCOCCNCc1ccco1 2230a_100000185738_100011215890 [0,0,0,0,0,0|2,0,0]=2 508 B12R1.37 CCOCCNCc1ccco1 270004a_102516460346_100000186105 [0,0,0,0,0,0|2,0,0]=2 509 B12R1.37 CCOCCNCc1ccco1 34a_100000185738_100000210147 [0,0,0,0,0,0|2,0,0]=2 510 B12R1.37 CCOCCNCc1cccs1 207a_100011200944_100000209959 [0,0,0,0,0,0|2,1,0]=3 511 B12R1.37 CCOCCNCc1cccs1 2230a_100000211653_100011215890 [0,0,0,0,0,0|2,1,0]=3 512 B12R1.37 CCOCCNCc1cccs1 270004a_102516460346_100000209959 [0,0,0,0,0,0|2,1,0]=3 513 B12R1.37 CCOCCNCc1ccn[nH]1 2230a_102516460346_100000728653 [0,0,0,0,0,0|4,0,0]=4 514 B12R1.37 CCOCCNCc1ccn[nH]1 34a_102516460346_100000728653 [0,0,0,0,0,0|4,0,0]=4 515 B12R1.37 CCOCCNCc1ccoc1 207a_100011200944_100011215517 [0,0,0,0,0,0|4,0,0]=4 516 B12R1.37 CCOCCNCc1ccoc1 2230a_100015206860_100011215890 [0,0,0,0,0,0|4,0,0]=4 517 B12R1.37 CCOCCNCc1ccoc1 270004a_102516460346_100011215517 [0,0,0,0,0,0|4,0,0]=4 518 B12R1.37 CCOCCNCc1ccoc1 34a_100015206860_100000210147 [0,0,0,0,0,0|4,0,0]=4 519 B12R1.37 CCOCCNCc1ccon1 2230a_102516460346_100000234950 [0,0,0,0,0,0|4,0,0]=4 520 B12R1.37 CCOCCNCc1ccon1 34a_102516460346_100000234950 [0,0,0,0,0,0|4,0,0]=4 521 B12R1.37 CCOCCNCc1ccsc1 207a_100011200944_100000188534 [0,0,0,0,0,0|4,0,0]=4 522 B12R1.37 CCOCCNCc1ccsc1 2230a_100000186416_100011215890 [0,0,0,0,0,0|4,0,0]=4 523 B12R1.37 CCOCCNCc1ccsc1 2230a_102516460346_100011261437 [0,0,0,0,0,0|4,0,0]=4 524 B12R1.37 CCOCCNCc1ccsc1 270004a_102516460346_100000188534 [0,0,0,0,0,0|4,0,0]=4 525 B12R1.37 CCOCCNCc1ccsc1 34a_100000186416_100000210147 [0,0,0,0,0,0|4,0,0]=4 526 B12R1.37 CCOCCNCc1ccsc1 34a_102516460346_100011261437 [0,0,0,0,0,0|4,0,0]=4 527 B12R1.37 CCOCCNCc1cnc[nH]1 207a_100011200944_100000742939 [0,0,0,0,0,0|4,0,0]=4 528 B12R1.37 CCOCCNCc1cnco1 270004a_102516460346_100000064291 [0,0,0,0,0,0|3,0,0]=3 529 B12R1.37 CCOCCNCc1cncs1 207a_100011200944_100000749870 [0,0,0,0,0,0|3,1,0]=4 530 B12R1.37 CCOCCNCc1cncs1 2230a_100016987365_100011215890 [0,0,0,0,0,0|3,1,0]=4 531 B12R1.37 CCOCCNCc1cncs1 2230a_102516460346_100015185245 [0,0,0,0,0,0|3,1,0]=4 532 B12R1.37 CCOCCNCc1cncs1 270004a_102516460346_100000749870 [0,0,0,0,0,0|3,1,0]=4 533 B12R1.37 CCOCCNCc1cncs1 34a_102516460346_100015185245 [0,0,0,0,0,0|3,1,0]=4 534 B12R1.37 CCOCCNCc1cocn1 270004a_102516460346_100000050382 [0,0,0,0,0,0|4,0,0]=4 535 B12R1.37 CCOCCNCc1cscn1 207a_100011200944_100000743575 [0,0,0,0,0,0|4,0,0]=4 536 B12R1.37 CCOCCNCc1cscn1 2230a_100015185402_100011215890 [0,0,0,0,0,0|4,0,0]=4 537 B12R1.37 CCOCCNCc1cscn1 2230a_102516460346_100000205941 [0,0,0,0,0,0|4,0,0]=4 538 B12R1.37 CCOCCNCc1cscn1 270004a_102516460346_100000743575 [0,0,0,0,0,0|4,0,0]=4 539 B12R1.37 CCOCCNCc1cscn1 34a_102516460346_100000205941 [0,0,0,0,0,0|4,0,0]=4 540 B12R1.37 CCOCCNCc1ncc[nH]1 207a_100011200944_100000743867 [0,0,0,0,0,0|4,0,0]=4 541 B12R1.37 CCOCCNCc1ncc[nH]1 2230a_102516460346_100016991755 [0,0,0,0,0,0|4,0,0]=4 542 B12R1.37 CCOCCNCc1ncc[nH]1 34a_102516460346_100016991755 [0,0,0,0,0,0|4,0,0]=4 543 B12R1.37 CCOCCNCc1ncco1 2230a_100016994969_100011215890 [0,0,0,0,0,0|3,0,0]=3 544 B12R1.37 CCOCCNCc1ncco1 2230a_102516460346_103436540062 [0,0,0,0,0,0|3,0,0]=3 545 B12R1.37 CCOCCNCc1ncco1 270004a_102516460346_100000064290 [0,0,0,0,0,0|3,0,0]=3 546 B12R1.37 CCOCCNCc1ncco1 34a_102516460346_103436540062 [0,0,0,0,0,0|3,0,0]=3 547 B12R1.37 CCOCCNCc1nccs1 207a_100011200944_100000750902 [0,0,0,0,0,0|3,1,0]=4 548 B12R1.37 CCOCCNCc1nccs1 2230a_100000740555_100011215890 [0,0,0,0,0,0|3,1,0]=4 549 B12R1.37 CCOCCNCc1nccs1 2230a_102516460346_100015184050 [0,0,0,0,0,0|3,1,0]=4 550 B12R1.37 CCOCCNCc1nccs1 270004a_102516460346_100000750902 [0,0,0,0,0,0|3,1,0]=4 551 B12R1.37 CCOCCNCc1nccs1 34a_102516460346_100015184050 [0,0,0,0,0,0|3,1,0]=4 552 B12R1.37 CCOCCOCc1c[nH]cn1 34a_100000210136_100000707719 [0,0,0,0,0,0|4,0,0]=4 553 B12R1.37 CCOCCOCc1ccco1 34a_100000210059_100000210147 [0,0,0,0,0,0|2,0,0]=2 554 B12R1.37 CCOCCOCc1cccs1 34a_100000211240_100000210147 [0,0,0,0,0,0|2,1,0]=3 555 B12R1.37 CCOCCOCc1ccn[nH]1 34a_100000210136_100000728653 [0,0,0,0,0,0|4,0,0]=4 556 B12R1.37 CCOCCOCc1ccn[nH]1 7a_100000210136_100000728653 [0,0,0,0,0,0|4,0,0]=4 557 B12R1.37 CCOCCOCc1ccno1 34a_100000740478_100000210147 [0,0,0,0,0,0|3,0,0]=3 558 B12R1.37 CCOCCOCc1ccoc1 34a_100011215357_100000210147 [0,0,0,0,0,0|4,0,0]=4 559 B12R1.37 CCOCCOCc1ccon1 34a_100000210136_100000234950 [0,0,0,0,0,0|4,0,0]=4 560 B12R1.37 CCOCCOCc1ccon1 7a_100000210136_100000234950 [0,0,0,0,0,0|4,0,0]=4 561 B12R1.37 CCOCCOCc1ccsc1 34a_100000210136_100011261437 [0,0,0,0,0,0|4,0,0]=4 562 B12R1.37 CCOCCOCc1ccsc1 34a_100011215551_100000210147 [0,0,0,0,0,0|4,0,0]=4 563 B12R1.37 CCOCCOCc1ccsc1 7a_100000210136_100011261437 [0,0,0,0,0,0|4,0,0]=4 564 B12R1.37 CCOCCOCc1cncs1 34a_100000210136_100015185245 [0,0,0,0,0,0|3,1,0]=4 565 B12R1.37 CCOCCOCc1cncs1 7a_100000210136_100015185245 [0,0,0,0,0,0|3,1,0]=4 566 B12R1.37 CCOCCOCc1cscn1 34a_100000210136_100000205941 [0,0,0,0,0,0|4,0,0]=4 567 B12R1.37 CCOCCOCc1cscn1 7a_100000210136_100000205941 [0,0,0,0,0,0|4,0,0]=4 568 B12R1.37 CCOCCOCc1ncc[nH]1 34a_100000210136_100016991755 [0,0,0,0,0,0|4,0,0]=4 569 B12R1.37 CCOCCOCc1ncc[nH]1 7a_100000210136_100000753453 [0,0,0,0,0,0|4,0,0]=4 570 B12R1.37 CCOCCOCc1ncco1 34a_100000062594_100000210147 [0,0,0,0,0,0|3,0,0]=3 571 B12R1.37 CCOCCOCc1ncco1 34a_100000210136_103436540062 [0,0,0,0,0,0|3,0,0]=3 572 B12R1.37 CCOCCOCc1ncco1 7a_100000210136_103436540062 [0,0,0,0,0,0|3,0,0]=3 573 B12R1.37 CCOCCOCc1nccs1 34a_100000210136_100015184050 [0,0,0,0,0,0|3,1,0]=4 574 B12R1.37 CCOCCOCc1nccs1 7a_100000210136_100015184050 [0,0,0,0,0,0|3,1,0]=4 575 B12R1.37 CCOCCOCn1cccn1 34a_100000731028_100000210147 [0,0,0,0,0,0|4,0,0]=4 576 B12R1.37 CCOCCSCc1c[nH]cn1 62a_100000210147_100000707719 [0,0,0,0,0,0|4,0,0]=4 577 B12R1.37 CCOCCSCc1c[nH]cn1 62a_100000707719_100011215890 [0,0,0,0,0,0|4,0,0]=4 578 B12R1.37 CCOCCSCc1ccn[nH]1 62a_100000210147_100000728653 [0,0,0,0,0,0|4,0,0]=4 579 B12R1.37 CCOCCSCc1ccn[nH]1 62a_100000728653_100011215890 [0,0,0,0,0,0|4,0,0]=4 580 B12R1.37 CCOCCSCc1ccon1 62a_100000210147_100000234950 [0,0,0,0,0,0|4,0,0]=4 581 B12R1.37 CCOCCSCc1ccon1 62a_100000234950_100011215890 [0,0,0,0,0,0|4,0,0]=4 582 B12R1.37 CCOCCSCc1ccsc1 62a_100000210147_100011233845 [0,0,0,0,0,0|4,0,0]=4 583 B12R1.37 CCOCCSCc1ccsc1 62a_100011261437_100011215890 [0,0,0,0,0,0|4,0,0]=4 584 B12R1.37 CCOCCSCc1cncs1 62a_100000210147_100015185245 [0,0,0,0,0,0|3,1,0]=4 585 B12R1.37 CCOCCSCc1cncs1 62a_100015185245_100011215890 [0,0,0,0,0,0|3,1,0]=4 586 B12R1.37 CCOCCSCc1cscn1 62a_100000205941_100011215890 [0,0,0,0,0,0|4,0,0]=4 587 B12R1.37 CCOCCSCc1cscn1 62a_100000210147_100000205941 [0,0,0,0,0,0|4,0,0]=4 588 B12R1.37 CCOCCSCc1ncc[nH]1 62a_100000210147_100016991755 [0,0,0,0,0,0|4,0,0]=4 589 B12R1.37 CCOCCSCc1ncc[nH]1 62a_100016991755_100011215890 [0,0,0,0,0,0|4,0,0]=4 590 B12R1.37 CCOCCSCc1ncco1 62a_100000210147_103436540062 [0,0,0,0,0,0|3,0,0]=3 591 B12R1.37 CCOCCSCc1ncco1 62a_103436540062_100011215890 [0,0,0,0,0,0|3,0,0]=3 592 B12R1.37 CCOCCSCc1nccs1 62a_100000210147_100015184050 [0,0,0,0,0,0|3,1,0]=4 593 B12R1.37 CCOCCSCc1nccs1 62a_100015184050_100011215890 [0,0,0,0,0,0|3,1,0]=4 594 B12R1.37 CCOCSCCc1c[nH]cn1 62a_100000739092_100020628418 [0,0,0,0,0,0|4,0,0]=4 595 B12R1.37 CCOCSCCc1c[nH]cn1 62a_100020628418_100000739092 [0,0,0,0,0,0|4,0,0]=4 596 B12R1.37 CCOCSCCc1cccs1 62a_100000739092_100000748579 [0,0,0,0,0,0|2,1,0]=3 597 B12R1.37 CCOCSCCc1cccs1 62a_100000748579_100000739092 [0,0,0,0,0,0|2,1,0]=3 598 B12R1.37 CCOCSCCn1cccc1 62a_100000739092_200000035178 [0,0,0,0,0,0|4,0,0]=4 599 B12R1.37 CCOCSCCn1cccc1 62a_200009811947_100000739092 [0,0,0,0,0,0|4,0,0]=4 600 B12R1.37 CCOCSCCn1cccn1 62a_100000739092_100000685285 [0,0,0,0,0,0|4,0,0]=4 601 B12R1.37 CCOCSCCn1cccn1 62a_100015204718_100000739092 [0,0,0,0,0,0|4,0,0]=4 602 B12R1.37 CCSCCNCc1c[nH]cn1 2230a_100000106463_100000707719 [0,0,0,0,0,0|4,0,0]=4 603 B12R1.37 CCSCCNCc1cc[nH]n1 207a_100000106463_100000738523 [0,0,0,0,0,0|4,0,0]=4 604 B12R1.37 CCSCCNCc1cc[nH]n1 270004a_100000106463_100000738523 [0,0,0,0,0,0|4,0,0]=4 605 B12R1.37 CCSCCNCc1ccco1 207a_100000106463_100000186105 [0,0,0,0,0,0|2,0,0]=2 606 B12R1.37 CCSCCNCc1ccco1 2230a_100000185738_100000757381 [0,0,0,0,0,0|2,0,0]=2 607 B12R1.37 CCSCCNCc1ccco1 270004a_100000106463_100000186105 [0,0,0,0,0,0|2,0,0]=2 608 B12R1.37 CCSCCNCc1ccco1 34a_100000185738_100000757381 [0,0,0,0,0,0|2,0,0]=2 609 B12R1.37 CCSCCNCc1cccs1 207a_100000106463_100000209959 [0,0,0,0,0,0|2,1,0]=3 610 B12R1.37 CCSCCNCc1cccs1 2230a_100000211653_100000757381 [0,0,0,0,0,0|2,1,0]=3 611 B12R1.37 CCSCCNCc1cccs1 270004a_100000106463_100000209959 [0,0,0,0,0,0|2,1,0]=3 612 B12R1.37 CCSCCNCc1ccn[nH]1 2230a_100000106463_100000728653 [0,0,0,0,0,0|4,0,0]=4 613 B12R1.37 CCSCCNCc1ccoc1 207a_100000106463_100011215517 [0,0,0,0,0,0|4,0,0]=4 614 B12R1.37 CCSCCNCc1ccoc1 2230a_100015206860_100000757381 [0,0,0,0,0,0|4,0,0]=4 615 B12R1.37 CCSCCNCc1ccoc1 270004a_100000106463_100011215517 [0,0,0,0,0,0|4,0,0]=4 616 B12R1.37 CCSCCNCc1ccoc1 34a_100015206860_100000757381 [0,0,0,0,0,0|4,0,0]=4 617 B12R1.37 CCSCCNCc1ccon1 2230a_100000106463_100000234950 [0,0,0,0,0,0|4,0,0]=4 618 B12R1.37 CCSCCNCc1ccsc1 207a_100000106463_100000188534 [0,0,0,0,0,0|4,0,0]=4 619 B12R1.37 CCSCCNCc1ccsc1 2230a_100000106463_100011261437 [0,0,0,0,0,0|4,0,0]=4 620 B12R1.37 CCSCCNCc1ccsc1 2230a_100000186416_100000757381 [0,0,0,0,0,0|4,0,0]=4 621 B12R1.37 CCSCCNCc1ccsc1 270004a_100000106463_100000188534 [0,0,0,0,0,0|4,0,0]=4 622 B12R1.37 CCSCCNCc1ccsc1 34a_100000186416_100000757381 [0,0,0,0,0,0|4,0,0]=4 623 B12R1.37 CCSCCNCc1cnc[nH]1 207a_100000106463_100000742939 [0,0,0,0,0,0|4,0,0]=4 624 B12R1.37 CCSCCNCc1cnco1 270004a_100000106463_100000064291 [0,0,0,0,0,0|3,0,0]=3 625 B12R1.37 CCSCCNCc1cncs1 207a_100000106463_100000749870 [0,0,0,0,0,0|3,1,0]=4 626 B12R1.37 CCSCCNCc1cncs1 2230a_100000106463_100015185245 [0,0,0,0,0,0|3,1,0]=4 627 B12R1.37 CCSCCNCc1cncs1 2230a_100016987365_100000757381 [0,0,0,0,0,0|3,1,0]=4 628 B12R1.37 CCSCCNCc1cncs1 270004a_100000106463_100000749870 [0,0,0,0,0,0|3,1,0]=4 629 B12R1.37 CCSCCNCc1cocn1 270004a_100000106463_100000050382 [0,0,0,0,0,0|4,0,0]=4 630 B12R1.37 CCSCCNCc1cscn1 207a_100000106463_100000743575 [0,0,0,0,0,0|4,0,0]=4 631 B12R1.37 CCSCCNCc1cscn1 2230a_100000106463_100000205941 [0,0,0,0,0,0|4,0,0]=4 632 B12R1.37 CCSCCNCc1cscn1 2230a_100015185402_100000757381 [0,0,0,0,0,0|4,0,0]=4 633 B12R1.37 CCSCCNCc1cscn1 270004a_100000106463_100000743575 [0,0,0,0,0,0|4,0,0]=4 634 B12R1.37 CCSCCNCc1ncc[nH]1 207a_100000106463_100000743867 [0,0,0,0,0,0|4,0,0]=4 635 B12R1.37 CCSCCNCc1ncc[nH]1 2230a_100000106463_100016991755 [0,0,0,0,0,0|4,0,0]=4 636 B12R1.37 CCSCCNCc1ncco1 2230a_100000106463_103436540062 [0,0,0,0,0,0|3,0,0]=3 637 B12R1.37 CCSCCNCc1ncco1 2230a_100016994969_100000757381 [0,0,0,0,0,0|3,0,0]=3 638 B12R1.37 CCSCCNCc1ncco1 270004a_100000106463_100000064290 [0,0,0,0,0,0|3,0,0]=3 639 B12R1.37 CCSCCNCc1nccs1 207a_100000106463_100000750902 [0,0,0,0,0,0|3,1,0]=4 640 B12R1.37 CCSCCNCc1nccs1 2230a_100000106463_100015184050 [0,0,0,0,0,0|3,1,0]=4 641 B12R1.37 CCSCCNCc1nccs1 2230a_100000740555_100000757381 [0,0,0,0,0,0|3,1,0]=4 642 B12R1.37 CCSCCNCc1nccs1 270004a_100000106463_100000750902 [0,0,0,0,0,0|3,1,0]=4 643 B12R1.37 CCSCCOCc1c[nH]cn1 34a_100000212035_100000707719 [0,0,0,0,0,0|4,0,0]=4 644 B12R1.37 CCSCCOCc1ccco1 34a_100000210059_100000757381 [0,0,0,0,0,0|2,0,0]=2 645 B12R1.37 CCSCCOCc1cccs1 34a_100000211240_100000757381 [0,0,0,0,0,0|2,1,0]=3 646 B12R1.37 CCSCCOCc1ccn[nH]1 34a_100000212035_100000728653 [0,0,0,0,0,0|4,0,0]=4 647 B12R1.37 CCSCCOCc1ccn[nH]1 7a_100000212035_100000728653 [0,0,0,0,0,0|4,0,0]=4 648 B12R1.37 CCSCCOCc1ccno1 34a_100000740478_100000757381 [0,0,0,0,0,0|3,0,0]=3 649 B12R1.37 CCSCCOCc1ccoc1 34a_100011215357_100000757381 [0,0,0,0,0,0|4,0,0]=4 650 B12R1.37 CCSCCOCc1ccon1 34a_100000212035_100000234950 [0,0,0,0,0,0|4,0,0]=4 651 B12R1.37 CCSCCOCc1ccon1 7a_100000212035_100000234950 [0,0,0,0,0,0|4,0,0]=4 652 B12R1.37 CCSCCOCc1ccsc1 34a_100000212035_100011261437 [0,0,0,0,0,0|4,0,0]=4 653 B12R1.37 CCSCCOCc1ccsc1 34a_100011215551_100000757381 [0,0,0,0,0,0|4,0,0]=4 654 B12R1.37 CCSCCOCc1ccsc1 7a_100000212035_100011261437 [0,0,0,0,0,0|4,0,0]=4 655 B12R1.37 CCSCCOCc1cncs1 34a_100000212035_100015185245 [0,0,0,0,0,0|3,1,0]=4 656 B12R1.37 CCSCCOCc1cncs1 7a_100000212035_100015185245 [0,0,0,0,0,0|3,1,0]=4 657 B12R1.37 CCSCCOCc1cscn1 34a_100000212035_100000205941 [0,0,0,0,0,0|4,0,0]=4 658 B12R1.37 CCSCCOCc1cscn1 7a_100000212035_100000205941 [0,0,0,0,0,0|4,0,0]=4 659 B12R1.37 CCSCCOCc1ncc[nH]1 34a_100000212035_100016991755 [0,0,0,0,0,0|4,0,0]=4 660 B12R1.37 CCSCCOCc1ncc[nH]1 7a_100000212035_100000753453 [0,0,0,0,0,0|4,0,0]=4 661 B12R1.37 CCSCCOCc1ncco1 34a_100000062594_100000757381 [0,0,0,0,0,0|3,0,0]=3 662 B12R1.37 CCSCCOCc1ncco1 34a_100000212035_103436540062 [0,0,0,0,0,0|3,0,0]=3 663 B12R1.37 CCSCCOCc1ncco1 7a_100000212035_103436540062 [0,0,0,0,0,0|3,0,0]=3 664 B12R1.37 CCSCCOCc1nccs1 34a_100000212035_100015184050 [0,0,0,0,0,0|3,1,0]=4 665 B12R1.37 CCSCCOCc1nccs1 7a_100000212035_100015184050 [0,0,0,0,0,0|3,1,0]=4 666 B12R1.37 CCSCCOCn1cccn1 34a_100000731028_100000757381 [0,0,0,0,0,0|4,0,0]=4 667 B12R1.37 CCSCCSCc1c[nH]cn1 62a_100000707719_100000757381 [0,0,0,0,0,0|4,0,0]=4 668 B12R1.37 CCSCCSCc1c[nH]cn1 62a_100000757381_100000707719 [0,0,0,0,0,0|4,0,0]=4 669 B12R1.37 CCSCCSCc1ccn[nH]1 62a_100000728653_100000757381 [0,0,0,0,0,0|4,0,0]=4 670 B12R1.37 CCSCCSCc1ccn[nH]1 62a_100000757381_100000728653 [0,0,0,0,0,0|4,0,0]=4 671 B12R1.37 CCSCCSCc1ccon1 62a_100000234950_100000757381 [0,0,0,0,0,0|4,0,0]=4 672 B12R1.37 CCSCCSCc1ccon1 62a_100000757381_100000234950 [0,0,0,0,0,0|4,0,0]=4 673 B12R1.37 CCSCCSCc1ccsc1 62a_100000757381_100011233845 [0,0,0,0,0,0|4,0,0]=4 674 B12R1.37 CCSCCSCc1ccsc1 62a_100011261437_100000757381 [0,0,0,0,0,0|4,0,0]=4 675 B12R1.37 CCSCCSCc1cncs1 62a_100000757381_100015185245 [0,0,0,0,0,0|3,1,0]=4 676 B12R1.37 CCSCCSCc1cncs1 62a_100015185245_100000757381 [0,0,0,0,0,0|3,1,0]=4 677 B12R1.37 CCSCCSCc1cscn1 62a_100000205941_100000757381 [0,0,0,0,0,0|4,0,0]=4 678 B12R1.37 CCSCCSCc1cscn1 62a_100000757381_100000205941 [0,0,0,0,0,0|4,0,0]=4 679 B12R1.37 CCSCCSCc1ncc[nH]1 62a_100000757381_100016991755 [0,0,0,0,0,0|4,0,0]=4 680 B12R1.37 CCSCCSCc1ncc[nH]1 62a_100016991755_100000757381 [0,0,0,0,0,0|4,0,0]=4 681 B12R1.37 CCSCCSCc1ncco1 62a_100000757381_103436540062 [0,0,0,0,0,0|3,0,0]=3 682 B12R1.37 CCSCCSCc1ncco1 62a_103436540062_100000757381 [0,0,0,0,0,0|3,0,0]=3 683 B12R1.37 CCSCCSCc1nccs1 62a_100000757381_100015184050 [0,0,0,0,0,0|3,1,0]=4 684 B12R1.37 CCSCCSCc1nccs1 62a_100015184050_100000757381 [0,0,0,0,0,0|3,1,0]=4 685 B12R1.37 CNCCCOCc1c[nH]cn1 34a_100000213112_100000707719 [0,0,0,0,0,0|4,0,0]=4 686 B12R1.37 CNCCCOCc1ccn[nH]1 34a_100000213112_100000728653 [0,0,0,0,0,0|4,0,0]=4 687 B12R1.37 CNCCCOCc1ccon1 34a_100000213112_100000234950 [0,0,0,0,0,0|4,0,0]=4 688 B12R1.37 CNCCCOCc1ccsc1 34a_100000213112_100011261437 [0,0,0,0,0,0|4,0,0]=4 689 B12R1.37 CNCCCOCc1cncs1 34a_100000213112_100015185245 [0,0,0,0,0,0|3,1,0]=4 690 B12R1.37 CNCCCOCc1cscn1 34a_100000213112_100000205941 [0,0,0,0,0,0|4,0,0]=4 691 B12R1.37 CNCCCOCc1ncc[nH]1 34a_100000213112_100016991755 [0,0,0,0,0,0|4,0,0]=4 692 B12R1.37 CNCCCOCc1ncco1 34a_100000213112_103436540062 [0,0,0,0,0,0|3,0,0]=3 693 B12R1.37 CNCCCOCc1nccs1 34a_100000213112_100015184050 [0,0,0,0,0,0|3,1,0]=4 694 B12R1.37 COCCCCOc1ccsc1 34a_100000106738_100000755781 [0,0,0,0,0,0|4,0,0]=4 695 B12R1.37 COCCCCOc1ccsc1 7a_100000106738_100000730899 [0,0,0,0,0,0|4,0,0]=4 696 B12R1.37 COCCCCSc1c[nH]cn1 62a_100000730899_100000756875 [0,0,0,0,0,0|4,0,0]=4 697 B12R1.37 COCCCCSc1c[nH]cn1 62a_100000756875_100000730899 [0,0,0,0,0,0|4,0,0]=4 698 B12R1.37 COCCCCSc1cc[nH]n1 62a_100000062575_100000730899 [0,0,0,0,0,0|4,0,0]=4 699 B12R1.37 COCCCCSc1cc[nH]n1 62a_100000730899_100000062575 [0,0,0,0,0,0|4,0,0]=4 700 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [0,0,0,0,0,0|2,0,0]=2 701 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [0,0,0,0,0,0|2,0,0]=2 702 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [0,0,0,0,0,0|2,1,0]=3 703 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [0,0,0,0,0,0|2,1,0]=3 704 B12R1.37 COCCCCSc1ccoc1 62a_100000730899_100011215275 [0,0,0,0,0,0|4,0,0]=4 705 B12R1.37 COCCCCSc1ccoc1 62a_100011215275_100000730899 [0,0,0,0,0,0|4,0,0]=4 706 B12R1.37 COCCCCSc1ccon1 62a_100000730899_100009818083 [0,0,0,0,0,0|4,0,0]=4 707 B12R1.37 COCCCCSc1ccon1 62a_100009818083_100000730899 [0,0,0,0,0,0|4,0,0]=4 708 B12R1.37 COCCCCSc1ccsc1 62a_100000730899_100000738268 [0,0,0,0,0,0|4,0,0]=4 709 B12R1.37 COCCCCSc1ccsc1 62a_100000738268_100000730899 [0,0,0,0,0,0|4,0,0]=4 710 B12R1.37 COCCCCSc1ccsn1 62a_100000730899_100009818082 [0,0,0,0,0,0|4,0,0]=4 711 B12R1.37 COCCCCSc1ccsn1 62a_100009818082_100000730899 [0,0,0,0,0,0|4,0,0]=4 712 B12R1.37 COCCCCSc1cnco1 62a_100000730899_100020591547 [0,0,0,0,0,0|3,0,0]=3 713 B12R1.37 COCCCCSc1cnco1 62a_100020591547_100000730899 [0,0,0,0,0,0|3,0,0]=3 714 B12R1.37 COCCCCSc1cncs1 62a_100000730899_100011934649 [0,0,0,0,0,0|3,1,0]=4 715 B12R1.37 COCCCCSc1cncs1 62a_100011934649_100000730899 [0,0,0,0,0,0|3,1,0]=4 716 B12R1.37 COCCCCSc1cscn1 62a_100000730899_100000751502 [0,0,0,0,0,0|4,0,0]=4 717 B12R1.37 COCCCCSc1cscn1 62a_100000751502_100000730899 [0,0,0,0,0,0|4,0,0]=4 718 B12R1.37 COCCCCSc1ncc[nH]1 62a_100000730899_100025796157 [0,0,0,0,0,0|4,0,0]=4 719 B12R1.37 COCCCCSc1ncc[nH]1 62a_100025796157_100000730899 [0,0,0,0,0,0|4,0,0]=4 720 B12R1.37 COCCCCSc1ncco1 62a_100000730899_100011787736 [0,0,0,0,0,0|3,0,0]=3 721 B12R1.37 COCCCCSc1ncco1 62a_100011787736_100000730899 [0,0,0,0,0,0|3,0,0]=3 722 B12R1.37 COCCCCSc1nccs1 62a_100000211983_100000730899 [0,0,0,0,0,0|3,1,0]=4 723 B12R1.37 COCCCCSc1nccs1 62a_100000730899_100000211983 [0,0,0,0,0,0|3,1,0]=4 724 B12R1.37 COCCCNCc1c[nH]cn1 34a_100150723488_100000707719 [0,0,0,0,0,0|4,0,0]=4 725 B12R1.37 COCCCNCc1cc[nH]n1 207a_100150723488_100000738523 [0,0,0,0,0,0|4,0,0]=4 726 B12R1.37 COCCCNCc1cc[nH]n1 270004a_100150723488_100000738523 [0,0,0,0,0,0|4,0,0]=4 727 B12R1.37 COCCCNCc1ccco1 207a_100150723488_100000186105 [0,0,0,0,0,0|2,0,0]=2 728 B12R1.37 COCCCNCc1ccco1 2230a_100000185738_100000740836 [0,0,0,0,0,0|2,0,0]=2 729 B12R1.37 COCCCNCc1ccco1 270004a_100150723488_100000186105 [0,0,0,0,0,0|2,0,0]=2 730 B12R1.37 COCCCNCc1ccco1 34a_100000185738_100000740836 [0,0,0,0,0,0|2,0,0]=2 731 B12R1.37 COCCCNCc1cccs1 207a_100150723488_100000209959 [0,0,0,0,0,0|2,1,0]=3 732 B12R1.37 COCCCNCc1cccs1 2230a_100000211653_100000740836 [0,0,0,0,0,0|2,1,0]=3 733 B12R1.37 COCCCNCc1cccs1 270004a_100150723488_100000209959 [0,0,0,0,0,0|2,1,0]=3 734 B12R1.37 COCCCNCc1cccs1 34a_100015187169_200000210301 [0,0,0,0,0,0|2,1,0]=3 735 B12R1.37 COCCCNCc1ccn[nH]1 34a_100150723488_100000728653 [0,0,0,0,0,0|4,0,0]=4 736 B12R1.37 COCCCNCc1ccoc1 207a_100150723488_100011215517 [0,0,0,0,0,0|4,0,0]=4 737 B12R1.37 COCCCNCc1ccoc1 2230a_100015206860_100000740836 [0,0,0,0,0,0|4,0,0]=4 738 B12R1.37 COCCCNCc1ccoc1 270004a_100150723488_100011215517 [0,0,0,0,0,0|4,0,0]=4 739 B12R1.37 COCCCNCc1ccoc1 34a_100015206860_100000740836 [0,0,0,0,0,0|4,0,0]=4 740 B12R1.37 COCCCNCc1ccon1 34a_100150723488_100000234950 [0,0,0,0,0,0|4,0,0]=4 741 B12R1.37 COCCCNCc1ccsc1 207a_100150723488_100000188534 [0,0,0,0,0,0|4,0,0]=4 742 B12R1.37 COCCCNCc1ccsc1 2230a_100000186416_100000740836 [0,0,0,0,0,0|4,0,0]=4 743 B12R1.37 COCCCNCc1ccsc1 270004a_100150723488_100000188534 [0,0,0,0,0,0|4,0,0]=4 744 B12R1.37 COCCCNCc1ccsc1 34a_100000186416_100000740836 [0,0,0,0,0,0|4,0,0]=4 745 B12R1.37 COCCCNCc1ccsc1 34a_100150723488_100011261437 [0,0,0,0,0,0|4,0,0]=4 746 B12R1.37 COCCCNCc1cnc[nH]1 207a_100150723488_100000742939 [0,0,0,0,0,0|4,0,0]=4 747 B12R1.37 COCCCNCc1cnco1 270004a_100150723488_100000064291 [0,0,0,0,0,0|3,0,0]=3 748 B12R1.37 COCCCNCc1cncs1 207a_100150723488_100000749870 [0,0,0,0,0,0|3,1,0]=4 749 B12R1.37 COCCCNCc1cncs1 2230a_100016987365_100000740836 [0,0,0,0,0,0|3,1,0]=4 750 B12R1.37 COCCCNCc1cncs1 270004a_100150723488_100000749870 [0,0,0,0,0,0|3,1,0]=4 751 B12R1.37 COCCCNCc1cncs1 34a_100150723488_100015185245 [0,0,0,0,0,0|3,1,0]=4 752 B12R1.37 COCCCNCc1cocn1 270004a_100150723488_100000050382 [0,0,0,0,0,0|4,0,0]=4 753 B12R1.37 COCCCNCc1cscn1 207a_100150723488_100000743575 [0,0,0,0,0,0|4,0,0]=4 754 B12R1.37 COCCCNCc1cscn1 2230a_100015185402_100000740836 [0,0,0,0,0,0|4,0,0]=4 755 B12R1.37 COCCCNCc1cscn1 270004a_100150723488_100000743575 [0,0,0,0,0,0|4,0,0]=4 756 B12R1.37 COCCCNCc1cscn1 34a_100150723488_100000205941 [0,0,0,0,0,0|4,0,0]=4 757 B12R1.37 COCCCNCc1ncc[nH]1 207a_100150723488_100000743867 [0,0,0,0,0,0|4,0,0]=4 758 B12R1.37 COCCCNCc1ncc[nH]1 34a_100150723488_100016991755 [0,0,0,0,0,0|4,0,0]=4 759 B12R1.37 COCCCNCc1ncco1 2230a_100016994969_100000740836 [0,0,0,0,0,0|3,0,0]=3 760 B12R1.37 COCCCNCc1ncco1 270004a_100150723488_100000064290 [0,0,0,0,0,0|3,0,0]=3 761 B12R1.37 COCCCNCc1ncco1 34a_100150723488_103436540062 [0,0,0,0,0,0|3,0,0]=3 762 B12R1.37 COCCCNCc1nccs1 207a_100150723488_100000750902 [0,0,0,0,0,0|3,1,0]=4 763 B12R1.37 COCCCNCc1nccs1 2230a_100000740555_100000740836 [0,0,0,0,0,0|3,1,0]=4 764 B12R1.37 COCCCNCc1nccs1 270004a_100150723488_100000750902 [0,0,0,0,0,0|3,1,0]=4 765 B12R1.37 COCCCNCc1nccs1 34a_100150723488_100015184050 [0,0,0,0,0,0|3,1,0]=4 766 B12R1.37 COCCCOCc1c[nH]cn1 34a_100000740835_100000707719 [0,0,0,0,0,0|4,0,0]=4 767 B12R1.37 COCCCOCc1ccco1 34a_100000210059_100000740836 [0,0,0,0,0,0|2,0,0]=2 768 B12R1.37 COCCCOCc1cccs1 34a_100000211240_100000740836 [0,0,0,0,0,0|2,1,0]=3 769 B12R1.37 COCCCOCc1ccn[nH]1 34a_100000740835_100000728653 [0,0,0,0,0,0|4,0,0]=4 770 B12R1.37 COCCCOCc1ccno1 34a_100000740478_100000740836 [0,0,0,0,0,0|3,0,0]=3 771 B12R1.37 COCCCOCc1ccoc1 34a_100011215357_100000740836 [0,0,0,0,0,0|4,0,0]=4 772 B12R1.37 COCCCOCc1ccon1 34a_100000740835_100000234950 [0,0,0,0,0,0|4,0,0]=4 773 B12R1.37 COCCCOCc1ccsc1 34a_100000740835_100011261437 [0,0,0,0,0,0|4,0,0]=4 774 B12R1.37 COCCCOCc1ccsc1 34a_100011215551_100000740836 [0,0,0,0,0,0|4,0,0]=4 775 B12R1.37 COCCCOCc1cncs1 34a_100000740835_100015185245 [0,0,0,0,0,0|3,1,0]=4 776 B12R1.37 COCCCOCc1cscn1 34a_100000740835_100000205941 [0,0,0,0,0,0|4,0,0]=4 777 B12R1.37 COCCCOCc1ncc[nH]1 34a_100000740835_100016991755 [0,0,0,0,0,0|4,0,0]=4 778 B12R1.37 COCCCOCc1ncco1 34a_100000062594_100000740836 [0,0,0,0,0,0|3,0,0]=3 779 B12R1.37 COCCCOCc1ncco1 34a_100000740835_103436540062 [0,0,0,0,0,0|3,0,0]=3 780 B12R1.37 COCCCOCc1nccs1 34a_100000740835_100015184050 [0,0,0,0,0,0|3,1,0]=4 781 B12R1.37 COCCCOCn1cccn1 34a_100000731028_100000740836 [0,0,0,0,0,0|4,0,0]=4 782 B12R1.37 COCCCSCc1c[nH]cn1 62a_100000707719_100000709357 [0,0,0,0,0,0|4,0,0]=4 783 B12R1.37 COCCCSCc1c[nH]cn1 62a_100000709357_100000707719 [0,0,0,0,0,0|4,0,0]=4 784 B12R1.37 COCCCSCc1ccn[nH]1 62a_100000709357_100000728653 [0,0,0,0,0,0|4,0,0]=4 785 B12R1.37 COCCCSCc1ccn[nH]1 62a_100000728653_100000709357 [0,0,0,0,0,0|4,0,0]=4 786 B12R1.37 COCCCSCc1ccon1 62a_100000234950_100000709357 [0,0,0,0,0,0|4,0,0]=4 787 B12R1.37 COCCCSCc1ccon1 62a_100000709357_100000234950 [0,0,0,0,0,0|4,0,0]=4 788 B12R1.37 COCCCSCc1ccsc1 62a_100000709357_100011233845 [0,0,0,0,0,0|4,0,0]=4 789 B12R1.37 COCCCSCc1ccsc1 62a_100011261437_100000709357 [0,0,0,0,0,0|4,0,0]=4 790 B12R1.37 COCCCSCc1cncs1 62a_100000709357_100015185245 [0,0,0,0,0,0|3,1,0]=4 791 B12R1.37 COCCCSCc1cncs1 62a_100015185245_100000709357 [0,0,0,0,0,0|3,1,0]=4 792 B12R1.37 COCCCSCc1cscn1 62a_100000205941_100000709357 [0,0,0,0,0,0|4,0,0]=4 793 B12R1.37 COCCCSCc1cscn1 62a_100000709357_100000205941 [0,0,0,0,0,0|4,0,0]=4 794 B12R1.37 COCCCSCc1ncc[nH]1 62a_100000709357_100016991755 [0,0,0,0,0,0|4,0,0]=4 795 B12R1.37 COCCCSCc1ncc[nH]1 62a_100016991755_100000709357 [0,0,0,0,0,0|4,0,0]=4 796 B12R1.37 COCCCSCc1ncco1 62a_100000709357_103436540062 [0,0,0,0,0,0|3,0,0]=3 797 B12R1.37 COCCCSCc1ncco1 62a_103436540062_100000709357 [0,0,0,0,0,0|3,0,0]=3 798 B12R1.37 COCCCSCc1nccs1 62a_100000709357_100015184050 [0,0,0,0,0,0|3,1,0]=4 799 B12R1.37 COCCCSCc1nccs1 62a_100015184050_100000709357 [0,0,0,0,0,0|3,1,0]=4 800 B12R1.37 COCCNCCc1c[nH]cn1 2230a_100000209980_100020628418 [0,0,0,0,0,0|4,0,0]=4 801 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [0,0,0,0,0,0|2,0,0]=2 802 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [0,0,0,0,0,0|2,0,0]=2 803 B12R1.37 COCCNCCc1cccs1 2230a_100000203755_100011201679 [0,0,0,0,0,0|2,1,0]=3 804 B12R1.37 COCCNCCc1cccs1 2230a_100000209980_100000748579 [0,0,0,0,0,0|2,1,0]=3 805 B12R1.37 COCCNCCc1cccs1 34a_100000203755_100011201679 [0,0,0,0,0,0|2,1,0]=3 806 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [0,0,0,0,0,0|4,0,0]=4 807 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [0,0,0,0,0,0|4,0,0]=4 808 B12R1.37 COCCNCCc1cncs1 2230a_100016991637_100011201679 [0,0,0,0,0,0|3,1,0]=4 809 B12R1.37 COCCNCCc1nccs1 2230a_100015186391_100011201679 [0,0,0,0,0,0|3,1,0]=4 810 B12R1.37 COCCNCCn1cccc1 2230a_100000209980_200009811947 [0,0,0,0,0,0|4,0,0]=4 811 B12R1.37 COCCNCCn1cccc1 34a_100011368172_100011201679 [0,0,0,0,0,0|4,0,0]=4 812 B12R1.37 COCCNCCn1cccn1 2230a_100000209980_100000685285 [0,0,0,0,0,0|4,0,0]=4 813 B12R1.37 COCCNCCn1cccn1 2230a_100011200920_100011201679 [0,0,0,0,0,0|4,0,0]=4 814 B12R1.37 COCCOCCc1cccs1 34a_100000210237_100000748579 [0,0,0,0,0,0|2,1,0]=3 815 B12R1.37 COCCOCCc1cccs1 34a_100011216825_100011201679 [0,0,0,0,0,0|2,1,0]=3 816 B12R1.37 COCCOCCc1cccs1 7a_100011216825_100000233755 [0,0,0,0,0,0|2,1,0]=3 817 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,0,0,0,0,0|4,0,0]=4 818 B12R1.37 COCCOCCc1ncc[nH]1 34a_103549771195_100011201679 [0,0,0,0,0,0|4,0,0]=4 819 B12R1.37 COCCOCCn1cccc1 34a_100000179382_100011201679 [0,0,0,0,0,0|4,0,0]=4 820 B12R1.37 COCCOCCn1cccn1 34a_100000210237_100015204718 [0,0,0,0,0,0|4,0,0]=4 821 B12R1.37 COCCOCCn1cccn1 34a_100000743371_100011201679 [0,0,0,0,0,0|4,0,0]=4 822 B12R1.37 COCCOCSc1ccco1 62a_100000231047_100009814098 [0,0,0,0,0,0|3,0,0]=3 823 B12R1.37 COCCOCSc1ccco1 62a_100009814098_100000231047 [0,0,0,0,0,0|3,0,0]=3 824 B12R1.37 COCCOCSc1cccs1 62a_100000231047_100011215356 [0,0,0,0,0,0|3,1,0]=4 825 B12R1.37 COCCOCSc1cccs1 62a_100011215356_100000231047 [0,0,0,0,0,0|3,1,0]=4 826 B12R1.37 COCCOCSc1cnco1 62a_100000231047_100020591547 [0,0,0,0,0,0|4,0,0]=4 827 B12R1.37 COCCOCSc1cnco1 62a_100020591547_100000231047 [0,0,0,0,0,0|4,0,0]=4 828 B12R1.37 COCCOCSc1ncco1 62a_100000231047_100011787736 [0,0,0,0,0,0|4,0,0]=4 829 B12R1.37 COCCOCSc1ncco1 62a_100011787736_100000231047 [0,0,0,0,0,0|4,0,0]=4 830 B12R1.37 COCCSCCc1c[nH]cn1 62a_100000233755_100020628418 [0,0,0,0,0,0|4,0,0]=4 831 B12R1.37 COCCSCCc1c[nH]cn1 62a_100020628418_100000233755 [0,0,0,0,0,0|4,0,0]=4 832 B12R1.37 COCCSCCc1cccs1 62a_100000233755_100000748579 [0,0,0,0,0,0|2,1,0]=3 833 B12R1.37 COCCSCCc1cccs1 62a_100000748579_100000233755 [0,0,0,0,0,0|2,1,0]=3 834 B12R1.37 COCCSCCn1cccc1 62a_100000233755_200000035178 [0,0,0,0,0,0|4,0,0]=4 835 B12R1.37 COCCSCCn1cccc1 62a_200009811947_100000233755 [0,0,0,0,0,0|4,0,0]=4 836 B12R1.37 COCCSCCn1cccn1 62a_100000233755_100000685285 [0,0,0,0,0,0|4,0,0]=4 837 B12R1.37 COCCSCCn1cccn1 62a_100015204718_100000233755 [0,0,0,0,0,0|4,0,0]=4 838 B12R1.37 COCSCCCc1cccs1 62a_100000766300_100010992444 [0,0,0,0,0,0|2,1,0]=3 839 B12R1.37 COCSCCCc1cccs1 62a_100010992444_100000766300 [0,0,0,0,0,0|2,1,0]=3 840 B12R1.37 COCSCCCn1cccc1 62a_100000766300_200009814367 [0,0,0,0,0,0|4,0,0]=4 841 B12R1.37 COCSCCCn1cccc1 62a_200009814367_100000766300 [0,0,0,0,0,0|4,0,0]=4 842 B12R1.37 COCSCCCn1cccn1 62a_100000739983_100000766300 [0,0,0,0,0,0|4,0,0]=4 843 B12R1.37 COCSCCCn1cccn1 62a_100000766300_100000739983 [0,0,0,0,0,0|4,0,0]=4 844 B12R1.37 CSCCCNCc1c[nH]cn1 2230a_100000749238_100000707719 [0,0,0,0,0,0|4,0,0]=4 845 B12R1.37 CSCCCNCc1cc[nH]n1 207a_100000749238_100000738523 [0,0,0,0,0,0|4,0,0]=4 846 B12R1.37 CSCCCNCc1cc[nH]n1 270004a_100000749238_100000738523 [0,0,0,0,0,0|4,0,0]=4 847 B12R1.37 CSCCCNCc1ccco1 207a_100000749238_100000186105 [0,0,0,0,0,0|2,0,0]=2 848 B12R1.37 CSCCCNCc1ccco1 270004a_100000749238_100000186105 [0,0,0,0,0,0|2,0,0]=2 849 B12R1.37 CSCCCNCc1cccs1 207a_100000749238_100000209959 [0,0,0,0,0,0|2,1,0]=3 850 B12R1.37 CSCCCNCc1cccs1 270004a_100000749238_100000209959 [0,0,0,0,0,0|2,1,0]=3 851 B12R1.37 CSCCCNCc1ccn[nH]1 2230a_100000749238_100000728653 [0,0,0,0,0,0|4,0,0]=4 852 B12R1.37 CSCCCNCc1ccoc1 207a_100000749238_100011215517 [0,0,0,0,0,0|4,0,0]=4 853 B12R1.37 CSCCCNCc1ccoc1 270004a_100000749238_100011215517 [0,0,0,0,0,0|4,0,0]=4 854 B12R1.37 CSCCCNCc1ccon1 2230a_100000749238_100000234950 [0,0,0,0,0,0|4,0,0]=4 855 B12R1.37 CSCCCNCc1ccsc1 207a_100000749238_100000188534 [0,0,0,0,0,0|4,0,0]=4 856 B12R1.37 CSCCCNCc1ccsc1 2230a_100000749238_100011261437 [0,0,0,0,0,0|4,0,0]=4 857 B12R1.37 CSCCCNCc1ccsc1 270004a_100000749238_100000188534 [0,0,0,0,0,0|4,0,0]=4 858 B12R1.37 CSCCCNCc1cnc[nH]1 207a_100000749238_100000742939 [0,0,0,0,0,0|4,0,0]=4 859 B12R1.37 CSCCCNCc1cnco1 270004a_100000749238_100000064291 [0,0,0,0,0,0|3,0,0]=3 860 B12R1.37 CSCCCNCc1cncs1 207a_100000749238_100000749870 [0,0,0,0,0,0|3,1,0]=4 861 B12R1.37 CSCCCNCc1cncs1 2230a_100000749238_100015185245 [0,0,0,0,0,0|3,1,0]=4 862 B12R1.37 CSCCCNCc1cncs1 270004a_100000749238_100000749870 [0,0,0,0,0,0|3,1,0]=4 863 B12R1.37 CSCCCNCc1cocn1 270004a_100000749238_100000050382 [0,0,0,0,0,0|4,0,0]=4 864 B12R1.37 CSCCCNCc1cscn1 207a_100000749238_100000743575 [0,0,0,0,0,0|4,0,0]=4 865 B12R1.37 CSCCCNCc1cscn1 2230a_100000749238_100000205941 [0,0,0,0,0,0|4,0,0]=4 866 B12R1.37 CSCCCNCc1cscn1 270004a_100000749238_100000743575 [0,0,0,0,0,0|4,0,0]=4 867 B12R1.37 CSCCCNCc1ncc[nH]1 207a_100000749238_100000743867 [0,0,0,0,0,0|4,0,0]=4 868 B12R1.37 CSCCCNCc1ncc[nH]1 2230a_100000749238_100016991755 [0,0,0,0,0,0|4,0,0]=4 869 B12R1.37 CSCCCNCc1ncco1 2230a_100000749238_103436540062 [0,0,0,0,0,0|3,0,0]=3 870 B12R1.37 CSCCCNCc1ncco1 270004a_100000749238_100000064290 [0,0,0,0,0,0|3,0,0]=3 871 B12R1.37 CSCCCNCc1nccs1 207a_100000749238_100000750902 [0,0,0,0,0,0|3,1,0]=4 872 B12R1.37 CSCCCNCc1nccs1 2230a_100000749238_100015184050 [0,0,0,0,0,0|3,1,0]=4 873 B12R1.37 CSCCCNCc1nccs1 270004a_100000749238_100000750902 [0,0,0,0,0,0|3,1,0]=4 874 B12R1.37 CSCCCOCc1c[nH]cn1 34a_100000690336_100000707719 [0,0,0,0,0,0|4,0,0]=4 875 B12R1.37 CSCCCOCc1ccn[nH]1 34a_100000690336_100000728653 [0,0,0,0,0,0|4,0,0]=4 876 B12R1.37 CSCCCOCc1ccn[nH]1 7a_100000690336_100000728653 [0,0,0,0,0,0|4,0,0]=4 877 B12R1.37 CSCCCOCc1ccon1 34a_100000690336_100000234950 [0,0,0,0,0,0|4,0,0]=4 878 B12R1.37 CSCCCOCc1ccon1 7a_100000690336_100000234950 [0,0,0,0,0,0|4,0,0]=4 879 B12R1.37 CSCCCOCc1ccsc1 34a_100000690336_100011261437 [0,0,0,0,0,0|4,0,0]=4 880 B12R1.37 CSCCCOCc1ccsc1 7a_100000690336_100011261437 [0,0,0,0,0,0|4,0,0]=4 881 B12R1.37 CSCCCOCc1cncs1 34a_100000690336_100015185245 [0,0,0,0,0,0|3,1,0]=4 882 B12R1.37 CSCCCOCc1cncs1 7a_100000690336_100015185245 [0,0,0,0,0,0|3,1,0]=4 883 B12R1.37 CSCCCOCc1cscn1 34a_100000690336_100000205941 [0,0,0,0,0,0|4,0,0]=4 884 B12R1.37 CSCCCOCc1cscn1 7a_100000690336_100000205941 [0,0,0,0,0,0|4,0,0]=4 885 B12R1.37 CSCCCOCc1ncc[nH]1 34a_100000690336_100016991755 [0,0,0,0,0,0|4,0,0]=4 886 B12R1.37 CSCCCOCc1ncc[nH]1 7a_100000690336_100000753453 [0,0,0,0,0,0|4,0,0]=4 887 B12R1.37 CSCCCOCc1ncco1 34a_100000690336_103436540062 [0,0,0,0,0,0|3,0,0]=3 888 B12R1.37 CSCCCOCc1ncco1 7a_100000690336_103436540062 [0,0,0,0,0,0|3,0,0]=3 889 B12R1.37 CSCCCOCc1nccs1 34a_100000690336_100015184050 [0,0,0,0,0,0|3,1,0]=4 890 B12R1.37 CSCCCOCc1nccs1 7a_100000690336_100015184050 [0,0,0,0,0,0|3,1,0]=4 891 B12R1.37 CSCCNCCc1c[nH]cn1 2230a_100020590264_100020628418 [0,0,0,0,0,0|4,0,0]=4 892 B12R1.37 CSCCNCCc1ccco1 2230a_100000694680_100000751147 [0,0,0,0,0,0|2,0,0]=2 893 B12R1.37 CSCCNCCc1ccco1 34a_100000694680_100000212216 [0,0,0,0,0,0|2,0,0]=2 894 B12R1.37 CSCCNCCc1cccs1 2230a_100000203755_100000751147 [0,0,0,0,0,0|2,1,0]=3 895 B12R1.37 CSCCNCCc1cccs1 2230a_100020590264_100000748579 [0,0,0,0,0,0|2,1,0]=3 896 B12R1.37 CSCCNCCc1cccs1 34a_100000203755_100000212216 [0,0,0,0,0,0|2,1,0]=3 897 B12R1.37 CSCCNCCc1ccsc1 2230a_100000692642_100000751147 [0,0,0,0,0,0|4,0,0]=4 898 B12R1.37 CSCCNCCc1ccsc1 34a_100000692642_100000212216 [0,0,0,0,0,0|4,0,0]=4 899 B12R1.37 CSCCNCCc1cncs1 2230a_100016991637_100000751147 [0,0,0,0,0,0|3,1,0]=4 900 B12R1.37 CSCCNCCc1nccs1 2230a_100015186391_100000751147 [0,0,0,0,0,0|3,1,0]=4 901 B12R1.37 CSCCNCCn1cccc1 2230a_100020590264_200009811947 [0,0,0,0,0,0|4,0,0]=4 902 B12R1.37 CSCCNCCn1cccc1 34a_100011368172_100000212216 [0,0,0,0,0,0|4,0,0]=4 903 B12R1.37 CSCCNCCn1cccn1 2230a_100011200920_100000751147 [0,0,0,0,0,0|4,0,0]=4 904 B12R1.37 CSCCNCCn1cccn1 2230a_100020590264_100000685285 [0,0,0,0,0,0|4,0,0]=4 905 B12R1.37 CSCCOCCc1c[nH]cn1 7a_100000230434_100020628418 [0,0,0,0,0,0|4,0,0]=4 906 B12R1.37 CSCCOCCc1cccs1 34a_100000230434_100000748579 [0,0,0,0,0,0|2,1,0]=3 907 B12R1.37 CSCCOCCc1cccs1 34a_100011216825_100000212216 [0,0,0,0,0,0|2,1,0]=3 908 B12R1.37 CSCCOCCc1cccs1 7a_100000230434_100000748579 [0,0,0,0,0,0|2,1,0]=3 909 B12R1.37 CSCCOCCc1cccs1 7a_100011216825_100000212216 [0,0,0,0,0,0|2,1,0]=3 910 B12R1.37 CSCCOCCc1ccsc1 34a_100000748821_100000212216 [0,0,0,0,0,0|4,0,0]=4 911 B12R1.37 CSCCOCCc1ncc[nH]1 34a_103549771195_100000212216 [0,0,0,0,0,0|4,0,0]=4 912 B12R1.37 CSCCOCCn1cccc1 34a_100000179382_100000212216 [0,0,0,0,0,0|4,0,0]=4 913 B12R1.37 CSCCOCCn1cccc1 7a_100000230434_200000035178 [0,0,0,0,0,0|4,0,0]=4 914 B12R1.37 CSCCOCCn1cccn1 34a_100000230434_100015204718 [0,0,0,0,0,0|4,0,0]=4 915 B12R1.37 CSCCOCCn1cccn1 34a_100000743371_100000212216 [0,0,0,0,0,0|4,0,0]=4 916 B12R1.37 CSCCOCCn1cccn1 7a_100000230434_100000685285 [0,0,0,0,0,0|4,0,0]=4 917 B12R1.37 CSCCSCCc1c[nH]cn1 62a_100000212216_100020628418 [0,0,0,0,0,0|4,0,0]=4 918 B12R1.37 CSCCSCCc1c[nH]cn1 62a_100020628418_100000751147 [0,0,0,0,0,0|4,0,0]=4 919 B12R1.37 CSCCSCCc1cccs1 62a_100000212216_100000748579 [0,0,0,0,0,0|2,1,0]=3 920 B12R1.37 CSCCSCCc1cccs1 62a_100000748579_100000751147 [0,0,0,0,0,0|2,1,0]=3 921 B12R1.37 CSCCSCCn1cccc1 62a_100000212216_200000035178 [0,0,0,0,0,0|4,0,0]=4 922 B12R1.37 CSCCSCCn1cccc1 62a_200009811947_100000751147 [0,0,0,0,0,0|4,0,0]=4 923 B12R1.37 CSCCSCCn1cccn1 62a_100000212216_100000685285 [0,0,0,0,0,0|4,0,0]=4 924 B12R1.37 CSCCSCCn1cccn1 62a_100015204718_100000751147 [0,0,0,0,0,0|4,0,0]=4 925 B12R1.37 CSCOCCCc1cccs1 34a_100011713143_100011218213 [0,0,0,0,0,0|2,1,0]=3 926 B12R1.37 CSCOCCCc1ccsc1 34a_200000699776_100011218213 [0,0,0,0,0,0|4,0,0]=4 927 B12R1.37 CSCOCCCn1cccc1 34a_100000179399_100011218213 [0,0,0,0,0,0|4,0,0]=4 928 B12R1.37 CSCOCCCn1cccn1 34a_100000753614_100011218213 [0,0,0,0,0,0|4,0,0]=4 929 B12R1.37 CSCSCCCc1cccs1 62a_100010992444_100011218213 [0,0,0,0,0,0|2,1,0]=3 930 B12R1.37 CSCSCCCc1cccs1 62a_100011218213_100010992444 [0,0,0,0,0,0|2,1,0]=3 931 B12R1.37 CSCSCCCn1cccc1 62a_100011218213_200009814367 [0,0,0,0,0,0|4,0,0]=4 932 B12R1.37 CSCSCCCn1cccc1 62a_200009814367_100011218213 [0,0,0,0,0,0|4,0,0]=4 933 B12R1.37 CSCSCCCn1cccn1 62a_100000739983_100011218213 [0,0,0,0,0,0|4,0,0]=4 934 B12R1.37 CSCSCCCn1cccn1 62a_100011218213_100000739983 [0,0,0,0,0,0|4,0,0]=4 935 B12R1.37 ClCCCCOCc1c[nH]cn1 34a_100000210776_100000707719 [0,0,0,0,0,0|4,0,0]=4 936 B12R1.37 ClCCCCOCc1ccn[nH]1 34a_100000210776_100000728653 [0,0,0,0,0,0|4,0,0]=4 937 B12R1.37 ClCCCCOCc1ccn[nH]1 7a_100000210776_100000728653 [0,0,0,0,0,0|4,0,0]=4 938 B12R1.37 ClCCCCOCc1ccon1 34a_100000210776_100000234950 [0,0,0,0,0,0|4,0,0]=4 939 B12R1.37 ClCCCCOCc1ccon1 7a_100000210776_100000234950 [0,0,0,0,0,0|4,0,0]=4 940 B12R1.37 ClCCCCOCc1ccsc1 34a_100000210776_100011261437 [0,0,0,0,0,0|4,0,0]=4 941 B12R1.37 ClCCCCOCc1ccsc1 7a_100000210776_100011261437 [0,0,0,0,0,0|4,0,0]=4 942 B12R1.37 ClCCCCOCc1cncs1 34a_100000210776_100015185245 [0,0,0,0,0,0|3,1,0]=4 943 B12R1.37 ClCCCCOCc1cncs1 7a_100000210776_100015185245 [0,0,0,0,0,0|3,1,0]=4 944 B12R1.37 ClCCCCOCc1cscn1 34a_100000210776_100000205941 [0,0,0,0,0,0|4,0,0]=4 945 B12R1.37 ClCCCCOCc1cscn1 7a_100000210776_100000205941 [0,0,0,0,0,0|4,0,0]=4 946 B12R1.37 ClCCCCOCc1ncc[nH]1 34a_100000210776_100016991755 [0,0,0,0,0,0|4,0,0]=4 947 B12R1.37 ClCCCCOCc1ncc[nH]1 7a_100000210776_100000753453 [0,0,0,0,0,0|4,0,0]=4 948 B12R1.37 ClCCCCOCc1ncco1 34a_100000210776_103436540062 [0,0,0,0,0,0|3,0,0]=3 949 B12R1.37 ClCCCCOCc1ncco1 7a_100000210776_103436540062 [0,0,0,0,0,0|3,0,0]=3 950 B12R1.37 ClCCCCOCc1nccs1 34a_100000210776_100015184050 [0,0,0,0,0,0|3,1,0]=4 951 B12R1.37 ClCCCCOCc1nccs1 7a_100000210776_100015184050 [0,0,0,0,0,0|3,1,0]=4 952 B12R1.37 ClCCCOCCc1cccs1 34a_100000230001_100000748579 [0,0,0,0,0,0|2,1,0]=3 953 B12R1.37 ClCCCOCCn1cccn1 34a_100000230001_100015204718 [0,0,0,0,0,0|4,0,0]=4 954 B12R1.37 FCCCCCCN1CC=CC1 269982a_100015195280_100015922095 [0,0,0,0,0,0|3,0,1]=4 955 B12R1.37 FCCCCCOc1ccsc1 34a_100000106738_100000729378 [0,0,0,0,0,0|4,0,0]=4 956 B12R1.37 FCCCCCOc1ccsc1 7a_100000106738_100000729378 [0,0,0,0,0,0|4,0,0]=4 957 B12R1.37 FCCCCCSc1c[nH]cn1 62a_100000729378_100000756875 [0,0,0,0,0,0|4,0,0]=4 958 B12R1.37 FCCCCCSc1c[nH]cn1 62a_100000756875_100000729378 [0,0,0,0,0,0|4,0,0]=4 959 B12R1.37 FCCCCCSc1cc[nH]n1 62a_100000062575_100000729378 [0,0,0,0,0,0|4,0,0]=4 960 B12R1.37 FCCCCCSc1cc[nH]n1 62a_100000729378_100000062575 [0,0,0,0,0,0|4,0,0]=4 961 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [0,0,0,0,0,0|2,0,0]=2 962 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [0,0,0,0,0,0|2,0,0]=2 963 B12R1.37 FCCCCCSc1cccs1 62a_100000729378_100011215356 [0,0,0,0,0,0|2,1,0]=3 964 B12R1.37 FCCCCCSc1cccs1 62a_100011215356_100000729378 [0,0,0,0,0,0|2,1,0]=3 965 B12R1.37 FCCCCCSc1ccoc1 62a_100000729378_100011215275 [0,0,0,0,0,0|4,0,0]=4 966 B12R1.37 FCCCCCSc1ccoc1 62a_100011215275_100000729378 [0,0,0,0,0,0|4,0,0]=4 967 B12R1.37 FCCCCCSc1ccon1 62a_100000729378_100009818083 [0,0,0,0,0,0|4,0,0]=4 968 B12R1.37 FCCCCCSc1ccon1 62a_100009818083_100000729378 [0,0,0,0,0,0|4,0,0]=4 969 B12R1.37 FCCCCCSc1ccsc1 62a_100000729378_100000738268 [0,0,0,0,0,0|4,0,0]=4 970 B12R1.37 FCCCCCSc1ccsc1 62a_100000738268_100000729378 [0,0,0,0,0,0|4,0,0]=4 971 B12R1.37 FCCCCCSc1ccsn1 62a_100000729378_100009818082 [0,0,0,0,0,0|4,0,0]=4 972 B12R1.37 FCCCCCSc1ccsn1 62a_100009818082_100000729378 [0,0,0,0,0,0|4,0,0]=4 973 B12R1.37 FCCCCCSc1cnco1 62a_100000729378_100020591547 [0,0,0,0,0,0|3,0,0]=3 974 B12R1.37 FCCCCCSc1cnco1 62a_100020591547_100000729378 [0,0,0,0,0,0|3,0,0]=3 975 B12R1.37 FCCCCCSc1cncs1 62a_100000729378_100011934649 [0,0,0,0,0,0|3,1,0]=4 976 B12R1.37 FCCCCCSc1cncs1 62a_100011934649_100000729378 [0,0,0,0,0,0|3,1,0]=4 977 B12R1.37 FCCCCCSc1cscn1 62a_100000729378_100000751502 [0,0,0,0,0,0|4,0,0]=4 978 B12R1.37 FCCCCCSc1cscn1 62a_100000751502_100000729378 [0,0,0,0,0,0|4,0,0]=4 979 B12R1.37 FCCCCCSc1ncc[nH]1 62a_100000729378_100025796157 [0,0,0,0,0,0|4,0,0]=4 980 B12R1.37 FCCCCCSc1ncc[nH]1 62a_100025796157_100000729378 [0,0,0,0,0,0|4,0,0]=4 981 B12R1.37 FCCCCCSc1ncco1 62a_100000729378_100011787736 [0,0,0,0,0,0|3,0,0]=3 982 B12R1.37 FCCCCCSc1ncco1 62a_100011787736_100000729378 [0,0,0,0,0,0|3,0,0]=3 983 B12R1.37 FCCCCCSc1nccs1 62a_100000211983_100000729378 [0,0,0,0,0,0|3,1,0]=4 984 B12R1.37 FCCCCCSc1nccs1 62a_100000729378_100000211983 [0,0,0,0,0,0|3,1,0]=4 985 B12R1.37 FCCCCNCc1ccco1 2230a_100000185738_100000729493 [0,0,0,0,0,0|2,0,0]=2 986 B12R1.37 FCCCCNCc1ccco1 34a_100000185738_100000729493 [0,0,0,0,0,0|2,0,0]=2 987 B12R1.37 FCCCCNCc1cccs1 2230a_100000211653_100000729493 [0,0,0,0,0,0|2,1,0]=3 988 B12R1.37 FCCCCNCc1ccoc1 2230a_100015206860_100000729493 [0,0,0,0,0,0|4,0,0]=4 989 B12R1.37 FCCCCNCc1ccoc1 34a_100015206860_100000729493 [0,0,0,0,0,0|4,0,0]=4 990 B12R1.37 FCCCCNCc1ccsc1 2230a_100000186416_100000729493 [0,0,0,0,0,0|4,0,0]=4 991 B12R1.37 FCCCCNCc1ccsc1 34a_100000186416_100000729493 [0,0,0,0,0,0|4,0,0]=4 992 B12R1.37 FCCCCNCc1cncs1 2230a_100016987365_100000729493 [0,0,0,0,0,0|3,1,0]=4 993 B12R1.37 FCCCCNCc1cscn1 2230a_100015185402_100000729493 [0,0,0,0,0,0|4,0,0]=4 994 B12R1.37 FCCCCNCc1ncco1 2230a_100016994969_100000729493 [0,0,0,0,0,0|3,0,0]=3 995 B12R1.37 FCCCCNCc1nccs1 2230a_100000740555_100000729493 [0,0,0,0,0,0|3,1,0]=4 996 B12R1.37 FCCCCOCc1c[nH]cn1 34a_100011995726_100000707719 [0,0,0,0,0,0|4,0,0]=4 997 B12R1.37 FCCCCOCc1ccco1 34a_100000210059_100000729493 [0,0,0,0,0,0|2,0,0]=2 998 B12R1.37 FCCCCOCc1cccs1 34a_100000211240_100000729493 [0,0,0,0,0,0|2,1,0]=3 999 B12R1.37 FCCCCOCc1ccn[nH]1 34a_100011995726_100000728653 [0,0,0,0,0,0|4,0,0]=4 1000 B12R1.37 FCCCCOCc1ccn[nH]1 7a_100011995726_100000728653 [0,0,0,0,0,0|4,0,0]=4 1001 B12R1.37 FCCCCOCc1ccno1 34a_100000740478_100000729493 [0,0,0,0,0,0|3,0,0]=3 1002 B12R1.37 FCCCCOCc1ccoc1 34a_100011215357_100000729493 [0,0,0,0,0,0|4,0,0]=4 1003 B12R1.37 FCCCCOCc1ccon1 34a_100011995726_100000234950 [0,0,0,0,0,0|4,0,0]=4 1004 B12R1.37 FCCCCOCc1ccon1 7a_100011995726_100000234950 [0,0,0,0,0,0|4,0,0]=4 1005 B12R1.37 FCCCCOCc1ccsc1 34a_100011215551_100000729493 [0,0,0,0,0,0|4,0,0]=4 1006 B12R1.37 FCCCCOCc1ccsc1 34a_100011995726_100011261437 [0,0,0,0,0,0|4,0,0]=4 1007 B12R1.37 FCCCCOCc1ccsc1 7a_100011995726_100011261437 [0,0,0,0,0,0|4,0,0]=4 1008 B12R1.37 FCCCCOCc1cncs1 34a_100011995726_100015185245 [0,0,0,0,0,0|3,1,0]=4 1009 B12R1.37 FCCCCOCc1cncs1 7a_100011995726_100015185245 [0,0,0,0,0,0|3,1,0]=4 1010 B12R1.37 FCCCCOCc1cscn1 34a_100011995726_100000205941 [0,0,0,0,0,0|4,0,0]=4 1011 B12R1.37 FCCCCOCc1cscn1 7a_100011995726_100000205941 [0,0,0,0,0,0|4,0,0]=4 1012 B12R1.37 FCCCCOCc1ncc[nH]1 34a_100011995726_100016991755 [0,0,0,0,0,0|4,0,0]=4 1013 B12R1.37 FCCCCOCc1ncc[nH]1 7a_100011995726_100000753453 [0,0,0,0,0,0|4,0,0]=4 1014 B12R1.37 FCCCCOCc1ncco1 34a_100000062594_100000729493 [0,0,0,0,0,0|3,0,0]=3 1015 B12R1.37 FCCCCOCc1ncco1 34a_100011995726_103436540062 [0,0,0,0,0,0|3,0,0]=3 1016 B12R1.37 FCCCCOCc1ncco1 7a_100011995726_103436540062 [0,0,0,0,0,0|3,0,0]=3 1017 B12R1.37 FCCCCOCc1nccs1 34a_100011995726_100015184050 [0,0,0,0,0,0|3,1,0]=4 1018 B12R1.37 FCCCCOCc1nccs1 7a_100011995726_100015184050 [0,0,0,0,0,0|3,1,0]=4 1019 B12R1.37 FCCCCOCn1cccn1 34a_100000731028_100000729493 [0,0,0,0,0,0|4,0,0]=4 1020 B12R1.37 FCCCCSCc1c[nH]cn1 62a_100000707719_100000729493 [0,0,0,0,0,0|4,0,0]=4 1021 B12R1.37 FCCCCSCc1c[nH]cn1 62a_100000729493_100000707719 [0,0,0,0,0,0|4,0,0]=4 1022 B12R1.37 FCCCCSCc1ccn[nH]1 62a_100000728653_100000729493 [0,0,0,0,0,0|4,0,0]=4 1023 B12R1.37 FCCCCSCc1ccn[nH]1 62a_100000729493_100000728653 [0,0,0,0,0,0|4,0,0]=4 1024 B12R1.37 FCCCCSCc1ccon1 62a_100000234950_100000729493 [0,0,0,0,0,0|4,0,0]=4 1025 B12R1.37 FCCCCSCc1ccon1 62a_100000729493_100000234950 [0,0,0,0,0,0|4,0,0]=4 1026 B12R1.37 FCCCCSCc1ccsc1 62a_100000729493_100011233845 [0,0,0,0,0,0|4,0,0]=4 1027 B12R1.37 FCCCCSCc1ccsc1 62a_100011261437_100000729493 [0,0,0,0,0,0|4,0,0]=4 1028 B12R1.37 FCCCCSCc1cncs1 62a_100000729493_100015185245 [0,0,0,0,0,0|3,1,0]=4 1029 B12R1.37 FCCCCSCc1cncs1 62a_100015185245_100000729493 [0,0,0,0,0,0|3,1,0]=4 1030 B12R1.37 FCCCCSCc1cscn1 62a_100000205941_100000729493 [0,0,0,0,0,0|4,0,0]=4 1031 B12R1.37 FCCCCSCc1cscn1 62a_100000729493_100000205941 [0,0,0,0,0,0|4,0,0]=4 1032 B12R1.37 FCCCCSCc1ncc[nH]1 62a_100000729493_100016991755 [0,0,0,0,0,0|4,0,0]=4 1033 B12R1.37 FCCCCSCc1ncc[nH]1 62a_100016991755_100000729493 [0,0,0,0,0,0|4,0,0]=4 1034 B12R1.37 FCCCCSCc1ncco1 62a_100000729493_103436540062 [0,0,0,0,0,0|3,0,0]=3 1035 B12R1.37 FCCCCSCc1ncco1 62a_103436540062_100000729493 [0,0,0,0,0,0|3,0,0]=3 1036 B12R1.37 FCCCCSCc1nccs1 62a_100000729493_100015184050 [0,0,0,0,0,0|3,1,0]=4 1037 B12R1.37 FCCCCSCc1nccs1 62a_100015184050_100000729493 [0,0,0,0,0,0|3,1,0]=4 1038 B12R1.37 FCCCNCCc1c[nH]cn1 2230a_100015189416_100020628418 [0,0,0,0,0,0|4,0,0]=4 1039 B12R1.37 FCCCNCCc1ccco1 2230a_100000694680_100011934791 [0,0,0,0,0,0|2,0,0]=2 1040 B12R1.37 FCCCNCCc1ccco1 34a_100000694680_100011934791 [0,0,0,0,0,0|2,0,0]=2 1041 B12R1.37 FCCCNCCc1cccs1 2230a_100000203755_100011934791 [0,0,0,0,0,0|2,1,0]=3 1042 B12R1.37 FCCCNCCc1cccs1 2230a_100015189416_100000748579 [0,0,0,0,0,0|2,1,0]=3 1043 B12R1.37 FCCCNCCc1cccs1 34a_100000203755_100011934791 [0,0,0,0,0,0|2,1,0]=3 1044 B12R1.37 FCCCNCCc1cccs1 34a_100015189416_100000748579 [0,0,0,0,0,0|2,1,0]=3 1045 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,0,0,0,0,0|4,0,0]=4 1046 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,0,0,0,0,0|4,0,0]=4 1047 B12R1.37 FCCCNCCc1cncs1 2230a_100016991637_100011934791 [0,0,0,0,0,0|3,1,0]=4 1048 B12R1.37 FCCCNCCc1nccs1 2230a_100015186391_100011934791 [0,0,0,0,0,0|3,1,0]=4 1049 B12R1.37 FCCCNCCn1cccc1 2230a_100015189416_200009811947 [0,0,0,0,0,0|4,0,0]=4 1050 B12R1.37 FCCCNCCn1cccc1 34a_100011368172_100011934791 [0,0,0,0,0,0|4,0,0]=4 1051 B12R1.37 FCCCNCCn1cccn1 2230a_100011200920_100011934791 [0,0,0,0,0,0|4,0,0]=4 1052 B12R1.37 FCCCNCCn1cccn1 2230a_100015189416_100000685285 [0,0,0,0,0,0|4,0,0]=4 1053 B12R1.37 FCCCNCCn1cccn1 34a_100015189416_100015204718 [0,0,0,0,0,0|4,0,0]=4 1054 B12R1.37 FCCCOCCc1cccs1 34a_100000759539_100000748579 [0,0,0,0,0,0|2,1,0]=3 1055 B12R1.37 FCCCOCCc1cccs1 34a_100011216825_100011934791 [0,0,0,0,0,0|2,1,0]=3 1056 B12R1.37 FCCCOCCc1cccs1 7a_100011216825_100011934791 [0,0,0,0,0,0|2,1,0]=3 1057 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,0,0,0,0,0|4,0,0]=4 1058 B12R1.37 FCCCOCCc1ncc[nH]1 34a_103549771195_100011934791 [0,0,0,0,0,0|4,0,0]=4 1059 B12R1.37 FCCCOCCn1cccc1 34a_100000179382_100011934791 [0,0,0,0,0,0|4,0,0]=4 1060 B12R1.37 FCCCOCCn1cccn1 34a_100000743371_100011934791 [0,0,0,0,0,0|4,0,0]=4 1061 B12R1.37 FCCCOCCn1cccn1 34a_100000759539_100015204718 [0,0,0,0,0,0|4,0,0]=4 1062 B12R1.37 FCCCSCCc1c[nH]cn1 62a_100011934791_100020628418 [0,0,0,0,0,0|4,0,0]=4 1063 B12R1.37 FCCCSCCc1c[nH]cn1 62a_100020628418_100011934791 [0,0,0,0,0,0|4,0,0]=4 1064 B12R1.37 FCCCSCCc1cccs1 62a_100000748579_100011934791 [0,0,0,0,0,0|2,1,0]=3 1065 B12R1.37 FCCCSCCc1cccs1 62a_100011934791_100000748579 [0,0,0,0,0,0|2,1,0]=3 1066 B12R1.37 FCCCSCCn1cccc1 62a_100011934791_200000035178 [0,0,0,0,0,0|4,0,0]=4 1067 B12R1.37 FCCCSCCn1cccc1 62a_200009811947_100011934791 [0,0,0,0,0,0|4,0,0]=4 1068 B12R1.37 FCCCSCCn1cccn1 62a_100011934791_100000685285 [0,0,0,0,0,0|4,0,0]=4 1069 B12R1.37 FCCCSCCn1cccn1 62a_100015204718_100011934791 [0,0,0,0,0,0|4,0,0]=4 1070 B12R1.37 FCCNCCCc1cccs1 34a_100000724931_100010992444 [0,0,0,0,0,0|2,1,0]=3 1071 B12R1.37 FCCNCCCn1cccc1 34a_100000724931_200009814367 [0,0,0,0,0,0|4,0,0]=4 1072 B12R1.37 FCCOCCCc1cccs1 34a_100011713143_100011217306 [0,0,0,0,0,0|2,1,0]=3 1073 B12R1.37 FCCOCCCc1cccs1 7a_100011713143_100011217306 [0,0,0,0,0,0|2,1,0]=3 1074 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [0,0,0,0,0,0|4,0,0]=4 1075 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [0,0,0,0,0,0|4,0,0]=4 1076 B12R1.37 FCCOCCCn1cccc1 34a_100000179399_100011217306 [0,0,0,0,0,0|4,0,0]=4 1077 B12R1.37 FCCOCCCn1cccc1 7a_100000179399_100011217306 [0,0,0,0,0,0|4,0,0]=4 1078 B12R1.37 FCCOCCCn1cccn1 34a_100000753614_100011217306 [0,0,0,0,0,0|4,0,0]=4 1079 B12R1.37 FCCSCCCc1cccs1 62a_100010992444_100011217306 [0,0,0,0,0,0|2,1,0]=3 1080 B12R1.37 FCCSCCCc1cccs1 62a_100011217306_100010992444 [0,0,0,0,0,0|2,1,0]=3 1081 B12R1.37 FCCSCCCn1cccc1 62a_100011217306_200009814367 [0,0,0,0,0,0|4,0,0]=4 1082 B12R1.37 FCCSCCCn1cccc1 62a_200009814367_100011217306 [0,0,0,0,0,0|4,0,0]=4 1083 B12R1.37 FCCSCCCn1cccn1 62a_100000739983_100011217306 [0,0,0,0,0,0|4,0,0]=4 1084 B12R1.37 FCCSCCCn1cccn1 62a_100011217306_100000739983 [0,0,0,0,0,0|4,0,0]=4 1085 B12R1.37 FCNCCSCc1ccco1 7a_100000184675_100015361967 [0,0,0,0,0,0|3,0,0]=3 1086 B12R1.37 ICCCCOCc1c[nH]cn1 34a_200012148704_100000707719 [0,0,0,0,0,0|4,0,0]=4 1087 B12R1.37 ICCCCOCc1ccn[nH]1 34a_200012148704_100000728653 [0,0,0,0,0,0|4,0,0]=4 1088 B12R1.37 ICCCCOCc1ccon1 34a_200012148704_100000234950 [0,0,0,0,0,0|4,0,0]=4 1089 B12R1.37 ICCCCOCc1ccsc1 34a_200012148704_100011261437 [0,0,0,0,0,0|4,0,0]=4 1090 B12R1.37 ICCCCOCc1cncs1 34a_200012148704_100015185245 [0,0,0,0,0,0|3,1,0]=4 1091 B12R1.37 ICCCCOCc1cscn1 34a_200012148704_100000205941 [0,0,0,0,0,0|4,0,0]=4 1092 B12R1.37 ICCCCOCc1ncc[nH]1 34a_200012148704_100016991755 [0,0,0,0,0,0|4,0,0]=4 1093 B12R1.37 ICCCCOCc1ncco1 34a_200012148704_103436540062 [0,0,0,0,0,0|3,0,0]=3 1094 B12R1.37 ICCCCOCc1nccs1 34a_200012148704_100015184050 [0,0,0,0,0,0|3,1,0]=4 1095 B12R1.37 N#CCCCCSc1ccco1 62a_100009814098_100000211819 [0,0,0,0,0,0|2,0,1]=3 1096 B12R1.37 N#CCCCCSc1ccco1 62a_100011219923_100009814098 [0,0,0,0,0,0|2,0,1]=3 1097 B12R1.37 N#CCCCCSc1cccs1 62a_100011215356_100000211819 [0,0,0,0,0,0|2,1,1]=4 1098 B12R1.37 N#CCCCCSc1cccs1 62a_100011219923_100011215356 [0,0,0,0,0,0|2,1,1]=4 1099 B12R1.37 N#CCCCCSc1cnco1 62a_100011219923_100020591547 [0,0,0,0,0,0|3,0,1]=4 1100 B12R1.37 N#CCCCCSc1cnco1 62a_100020591547_100000211819 [0,0,0,0,0,0|3,0,1]=4 1101 B12R1.37 N#CCCCCSc1ncco1 62a_100011219923_100011787736 [0,0,0,0,0,0|3,0,1]=4 1102 B12R1.37 N#CCCCCSc1ncco1 62a_100011787736_100000211819 [0,0,0,0,0,0|3,0,1]=4 1103 B12R1.37 N#CCCCNCc1ccco1 2230a_100000185738_100000687738 [0,0,0,0,0,0|2,0,1]=3 1104 B12R1.37 N#CCCCNCc1cccs1 2230a_100000211653_100000687738 [0,0,0,0,0,0|2,1,1]=4 1105 B12R1.37 N#CCCCNCc1ncco1 2230a_100016994969_100000687738 [0,0,0,0,0,0|3,0,1]=4 1106 B12R1.37 N#CCCCSCc1ncco1 62a_100000687738_103436540062 [0,0,0,0,0,0|3,0,1]=4 1107 B12R1.37 N#CCCCSCc1ncco1 62a_103436540062_100000687738 [0,0,0,0,0,0|3,0,1]=4 1108 B12R1.37 N#CCCNCCc1ccco1 2230a_100000694680_100011215226 [0,0,0,0,0,0|2,0,1]=3 1109 B12R1.37 N#CCCNCCc1cccs1 2230a_100000203755_100011215226 [0,0,0,0,0,0|2,1,1]=4 1110 B12R1.37 N#CCCOCCc1cccs1 7a_100011216825_100000184422 [0,0,0,0,0,0|2,1,1]=4 1111 B12R1.37 N#CCCSCCc1cccs1 62a_100000748579_100011215226 [0,0,0,0,0,0|2,1,1]=4 1112 B12R1.37 N#CCCSCCc1cccs1 62a_100011215226_100000748579 [0,0,0,0,0,0|2,1,1]=4 1113 B12R1.37 N#CCOCCCc1cccs1 7a_100011713143_100011215382 [0,0,0,0,0,0|2,1,1]=4 1114 B12R1.37 N#CCOCCSc1ccco1 62a_100009814098_200000047693 [0,0,0,0,0,0|3,0,1]=4 1115 B12R1.37 N#CCOCCSc1ccco1 62a_200000047693_100009814098 [0,0,0,0,0,0|3,0,1]=4 1116 B12R1.37 N#CCSCCCc1cccs1 62a_100010992444_100011215382 [0,0,0,0,0,0|2,1,1]=4 1117 B12R1.37 N#CCSCCCc1cccs1 62a_100011215382_100010992444 [0,0,0,0,0,0|2,1,1]=4 1118 B12R1.37 NCCCCOCc1c[nH]cn1 34a_100000750430_100000707719 [0,0,0,0,0,0|4,0,0]=4 1119 B12R1.37 NCCCCOCc1ccn[nH]1 34a_100000750430_100000728653 [0,0,0,0,0,0|4,0,0]=4 1120 B12R1.37 NCCCCOCc1ccon1 34a_100000750430_100000234950 [0,0,0,0,0,0|4,0,0]=4 1121 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [0,0,0,0,0,0|4,0,0]=4 1122 B12R1.37 NCCCCOCc1cncs1 34a_100000750430_100015185245 [0,0,0,0,0,0|3,1,0]=4 1123 B12R1.37 NCCCCOCc1cscn1 34a_100000750430_100000205941 [0,0,0,0,0,0|4,0,0]=4 1124 B12R1.37 NCCCCOCc1ncc[nH]1 34a_100000750430_100016991755 [0,0,0,0,0,0|4,0,0]=4 1125 B12R1.37 NCCCCOCc1ncco1 34a_100000750430_103436540062 [0,0,0,0,0,0|3,0,0]=3 1126 B12R1.37 NCCCCOCc1nccs1 34a_100000750430_100015184050 [0,0,0,0,0,0|3,1,0]=4 1127 B12R1.37 NCCCOCCc1cccs1 34a_100000182051_100000748579 [0,0,0,0,0,0|2,1,0]=3 1128 B12R1.37 NCCCOCCn1cccn1 34a_100000182051_100015204718 [0,0,0,0,0,0|4,0,0]=4 1129 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [0,0,0,0,0,0|2,1,0]=3 1130 B12R1.37 NCCOCCCn1cccc1 34a_100000210304_200009814367 [0,0,0,0,0,0|4,0,0]=4 1131 B12R1.37 NOCCOCCc1cccs1 34a_100000700252_100000748579 [0,0,0,0,0,0|3,1,0]=4 1132 B12R1.37 O=CCCCCSc1ccco1 62a_100000139335_100009814098 [0,0,0,0,0,0|2,0,1]=3 1133 B12R1.37 O=CCCCCSc1ccco1 62a_100009814098_100000139335 [0,0,0,0,0,0|2,0,1]=3 1134 B12R1.37 O=CCCCCSc1cccs1 62a_100000139335_100011215356 [0,0,0,0,0,0|2,1,1]=4 1135 B12R1.37 O=CCCCCSc1cccs1 62a_100011215356_100000139335 [0,0,0,0,0,0|2,1,1]=4 1136 B12R1.37 O=CCCCCSc1cnco1 62a_100000139335_100020591547 [0,0,0,0,0,0|3,0,1]=4 1137 B12R1.37 O=CCCCCSc1cnco1 62a_100020591547_100000139335 [0,0,0,0,0,0|3,0,1]=4 1138 B12R1.37 O=CCCCCSc1ncco1 62a_100000139335_100011787736 [0,0,0,0,0,0|3,0,1]=4 1139 B12R1.37 O=CCCCCSc1ncco1 62a_100011787736_100000139335 [0,0,0,0,0,0|3,0,1]=4 1140 B12R1.37 O=CCCCNCc1ccco1 2230a_100000185738_200011292268 [0,0,0,0,0,0|2,0,1]=3 1141 B12R1.37 O=CCCCNCc1cccs1 2230a_100000211653_200011292268 [0,0,0,0,0,0|2,1,1]=4 1142 B12R1.37 O=CCCCNCc1ncco1 2230a_100016994969_200011292268 [0,0,0,0,0,0|3,0,1]=4 1143 B12R1.37 O=CCCCSCc1ncco1 62a_103436540062_200011292268 [0,0,0,0,0,0|3,0,1]=4 1144 B12R1.37 O=CCCCSCc1ncco1 62a_200011292268_103436540062 [0,0,0,0,0,0|3,0,1]=4 1145 B12R1.37 O=CCOCCCc1cccs1 34a_100011713143_200009817547 [0,0,0,0,0,0|2,1,1]=4 1146 B12R1.37 O=CCOCCCc1cccs1 7a_100011713143_200015260668 [0,0,0,0,0,0|2,1,1]=4 1147 B12R1.37 O=CCSCCCc1cccs1 62a_100010992444_200015260668 [0,0,0,0,0,0|2,1,1]=4 1148 B12R1.37 O=CCSCCCc1cccs1 62a_200015260668_100010992444 [0,0,0,0,0,0|2,1,1]=4 1149 B12R1.37 OCC#CCNCc1ccco1 2230a_100000185738_200000047223 [0,0,0,0,0,0|2,0,2]=4 1150 B12R1.37 OCC#CCNCc1ccco1 34a_100000185738_200000047223 [0,0,0,0,0,0|2,0,2]=4 1151 B12R1.37 OCC#CCOCc1ccco1 34a_100000210059_200000047223 [0,0,0,0,0,0|2,0,2]=4 1152 B12R1.37 OCCCCCCN1CC=CC1 269982a_100015195280_100000766143 [0,0,0,0,0,0|3,0,1]=4 1153 B12R1.37 OCCCCCOc1ccsc1 34a_100000106738_100000746330 [0,0,0,0,0,0|4,0,0]=4 1154 B12R1.37 OCCCCCOc1ccsc1 7a_100000106738_100000746330 [0,0,0,0,0,0|4,0,0]=4 1155 B12R1.37 OCCCCCSc1c[nH]cn1 62a_100000746330_100000756875 [0,0,0,0,0,0|4,0,0]=4 1156 B12R1.37 OCCCCCSc1c[nH]cn1 62a_100000756875_100000746330 [0,0,0,0,0,0|4,0,0]=4 1157 B12R1.37 OCCCCCSc1cc[nH]n1 62a_100000062575_100000746330 [0,0,0,0,0,0|4,0,0]=4 1158 B12R1.37 OCCCCCSc1cc[nH]n1 62a_100000746330_100000062575 [0,0,0,0,0,0|4,0,0]=4 1159 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [0,0,0,0,0,0|2,0,0]=2 1160 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [0,0,0,0,0,0|2,0,0]=2 1161 B12R1.37 OCCCCCSc1cccs1 62a_100000746330_100011215356 [0,0,0,0,0,0|2,1,0]=3 1162 B12R1.37 OCCCCCSc1cccs1 62a_100011215356_100000746330 [0,0,0,0,0,0|2,1,0]=3 1163 B12R1.37 OCCCCCSc1ccoc1 62a_100000746330_100011215275 [0,0,0,0,0,0|4,0,0]=4 1164 B12R1.37 OCCCCCSc1ccoc1 62a_100011215275_100000746330 [0,0,0,0,0,0|4,0,0]=4 1165 B12R1.37 OCCCCCSc1ccon1 62a_100000746330_100009818083 [0,0,0,0,0,0|4,0,0]=4 1166 B12R1.37 OCCCCCSc1ccon1 62a_100009818083_100000746330 [0,0,0,0,0,0|4,0,0]=4 1167 B12R1.37 OCCCCCSc1ccsc1 62a_100000738268_100000746330 [0,0,0,0,0,0|4,0,0]=4 1168 B12R1.37 OCCCCCSc1ccsc1 62a_100000746330_100000738268 [0,0,0,0,0,0|4,0,0]=4 1169 B12R1.37 OCCCCCSc1ccsn1 62a_100000746330_100009818082 [0,0,0,0,0,0|4,0,0]=4 1170 B12R1.37 OCCCCCSc1ccsn1 62a_100009818082_100000746330 [0,0,0,0,0,0|4,0,0]=4 1171 B12R1.37 OCCCCCSc1cnco1 62a_100000746330_100020591547 [0,0,0,0,0,0|3,0,0]=3 1172 B12R1.37 OCCCCCSc1cnco1 62a_100020591547_100000746330 [0,0,0,0,0,0|3,0,0]=3 1173 B12R1.37 OCCCCCSc1cncs1 62a_100000746330_100011934649 [0,0,0,0,0,0|3,1,0]=4 1174 B12R1.37 OCCCCCSc1cncs1 62a_100011934649_100000746330 [0,0,0,0,0,0|3,1,0]=4 1175 B12R1.37 OCCCCCSc1cscn1 62a_100000746330_100000751502 [0,0,0,0,0,0|4,0,0]=4 1176 B12R1.37 OCCCCCSc1cscn1 62a_100000751502_100000746330 [0,0,0,0,0,0|4,0,0]=4 1177 B12R1.37 OCCCCCSc1ncc[nH]1 62a_100000746330_100025796157 [0,0,0,0,0,0|4,0,0]=4 1178 B12R1.37 OCCCCCSc1ncc[nH]1 62a_100025796157_100000746330 [0,0,0,0,0,0|4,0,0]=4 1179 B12R1.37 OCCCCCSc1ncco1 62a_100000746330_100011787736 [0,0,0,0,0,0|3,0,0]=3 1180 B12R1.37 OCCCCCSc1ncco1 62a_100011787736_100000746330 [0,0,0,0,0,0|3,0,0]=3 1181 B12R1.37 OCCCCCSc1nccs1 62a_100000211983_100000746330 [0,0,0,0,0,0|3,1,0]=4 1182 B12R1.37 OCCCCCSc1nccs1 62a_100000746330_100000211983 [0,0,0,0,0,0|3,1,0]=4 1183 B12R1.37 OCCCCNCc1c[nH]cn1 2230a_100000750430_100000707719 [0,0,0,0,0,0|4,0,0]=4 1184 B12R1.37 OCCCCNCc1c[nH]cn1 34a_100000750430_100000707719 [0,0,0,0,0,0|4,0,0]=4 1185 B12R1.37 OCCCCNCc1cc[nH]n1 207a_100000750430_100000738523 [0,0,0,0,0,0|4,0,0]=4 1186 B12R1.37 OCCCCNCc1cc[nH]n1 270004a_100000750430_100000738523 [0,0,0,0,0,0|4,0,0]=4 1187 B12R1.37 OCCCCNCc1ccco1 207a_100000750430_100000186105 [0,0,0,0,0,0|2,0,0]=2 1188 B12R1.37 OCCCCNCc1ccco1 2230a_100000185738_100000210776 [0,0,0,0,0,0|2,0,0]=2 1189 B12R1.37 OCCCCNCc1ccco1 270004a_100000750430_100000186105 [0,0,0,0,0,0|2,0,0]=2 1190 B12R1.37 OCCCCNCc1ccco1 34a_100000185738_100011216708 [0,0,0,0,0,0|2,0,0]=2 1191 B12R1.37 OCCCCNCc1cccs1 207a_100000750430_100000209959 [0,0,0,0,0,0|2,1,0]=3 1192 B12R1.37 OCCCCNCc1cccs1 2230a_100000211653_100000210776 [0,0,0,0,0,0|2,1,0]=3 1193 B12R1.37 OCCCCNCc1cccs1 270004a_100000750430_100000209959 [0,0,0,0,0,0|2,1,0]=3 1194 B12R1.37 OCCCCNCc1ccn[nH]1 2230a_100000750430_100000728653 [0,0,0,0,0,0|4,0,0]=4 1195 B12R1.37 OCCCCNCc1ccn[nH]1 34a_100000750430_100000728653 [0,0,0,0,0,0|4,0,0]=4 1196 B12R1.37 OCCCCNCc1ccoc1 207a_100000750430_100011215517 [0,0,0,0,0,0|4,0,0]=4 1197 B12R1.37 OCCCCNCc1ccoc1 2230a_100015206860_100000210776 [0,0,0,0,0,0|4,0,0]=4 1198 B12R1.37 OCCCCNCc1ccoc1 270004a_100000750430_100011215517 [0,0,0,0,0,0|4,0,0]=4 1199 B12R1.37 OCCCCNCc1ccoc1 34a_100015206860_100011216708 [0,0,0,0,0,0|4,0,0]=4 1200 B12R1.37 OCCCCNCc1ccon1 2230a_100000750430_100000234950 [0,0,0,0,0,0|4,0,0]=4 1201 B12R1.37 OCCCCNCc1ccon1 34a_100000750430_100000234950 [0,0,0,0,0,0|4,0,0]=4 1202 B12R1.37 OCCCCNCc1ccsc1 207a_100000750430_100000188534 [0,0,0,0,0,0|4,0,0]=4 1203 B12R1.37 OCCCCNCc1ccsc1 2230a_100000186416_100000210776 [0,0,0,0,0,0|4,0,0]=4 1204 B12R1.37 OCCCCNCc1ccsc1 2230a_100000750430_100011261437 [0,0,0,0,0,0|4,0,0]=4 1205 B12R1.37 OCCCCNCc1ccsc1 270004a_100000750430_100000188534 [0,0,0,0,0,0|4,0,0]=4 1206 B12R1.37 OCCCCNCc1ccsc1 34a_100000186416_100011216708 [0,0,0,0,0,0|4,0,0]=4 1207 B12R1.37 OCCCCNCc1ccsc1 34a_100000750430_100011261437 [0,0,0,0,0,0|4,0,0]=4 1208 B12R1.37 OCCCCNCc1cnc[nH]1 207a_100000750430_100000742939 [0,0,0,0,0,0|4,0,0]=4 1209 B12R1.37 OCCCCNCc1cnco1 270004a_100000750430_100000064291 [0,0,0,0,0,0|3,0,0]=3 1210 B12R1.37 OCCCCNCc1cncs1 207a_100000750430_100000749870 [0,0,0,0,0,0|3,1,0]=4 1211 B12R1.37 OCCCCNCc1cncs1 2230a_100000750430_100015185245 [0,0,0,0,0,0|3,1,0]=4 1212 B12R1.37 OCCCCNCc1cncs1 2230a_100016987365_100000210776 [0,0,0,0,0,0|3,1,0]=4 1213 B12R1.37 OCCCCNCc1cncs1 270004a_100000750430_100000749870 [0,0,0,0,0,0|3,1,0]=4 1214 B12R1.37 OCCCCNCc1cncs1 34a_100000750430_100015185245 [0,0,0,0,0,0|3,1,0]=4 1215 B12R1.37 OCCCCNCc1cocn1 270004a_100000750430_100000050382 [0,0,0,0,0,0|4,0,0]=4 1216 B12R1.37 OCCCCNCc1cscn1 207a_100000750430_100000743575 [0,0,0,0,0,0|4,0,0]=4 1217 B12R1.37 OCCCCNCc1cscn1 2230a_100000750430_100000205941 [0,0,0,0,0,0|4,0,0]=4 1218 B12R1.37 OCCCCNCc1cscn1 2230a_100015185402_100000210776 [0,0,0,0,0,0|4,0,0]=4 1219 B12R1.37 OCCCCNCc1cscn1 270004a_100000750430_100000743575 [0,0,0,0,0,0|4,0,0]=4 1220 B12R1.37 OCCCCNCc1cscn1 34a_100000750430_100000205941 [0,0,0,0,0,0|4,0,0]=4 1221 B12R1.37 OCCCCNCc1ncc[nH]1 207a_100000750430_100000743867 [0,0,0,0,0,0|4,0,0]=4 1222 B12R1.37 OCCCCNCc1ncc[nH]1 2230a_100000750430_100016991755 [0,0,0,0,0,0|4,0,0]=4 1223 B12R1.37 OCCCCNCc1ncc[nH]1 34a_100000750430_100016991755 [0,0,0,0,0,0|4,0,0]=4 1224 B12R1.37 OCCCCNCc1ncco1 2230a_100000750430_103436540062 [0,0,0,0,0,0|3,0,0]=3 1225 B12R1.37 OCCCCNCc1ncco1 2230a_100016994969_100000210776 [0,0,0,0,0,0|3,0,0]=3 1226 B12R1.37 OCCCCNCc1ncco1 270004a_100000750430_100000064290 [0,0,0,0,0,0|3,0,0]=3 1227 B12R1.37 OCCCCNCc1ncco1 34a_100000750430_103436540062 [0,0,0,0,0,0|3,0,0]=3 1228 B12R1.37 OCCCCNCc1nccs1 207a_100000750430_100000750902 [0,0,0,0,0,0|3,1,0]=4 1229 B12R1.37 OCCCCNCc1nccs1 2230a_100000740555_100000210776 [0,0,0,0,0,0|3,1,0]=4 1230 B12R1.37 OCCCCNCc1nccs1 2230a_100000750430_100015184050 [0,0,0,0,0,0|3,1,0]=4 1231 B12R1.37 OCCCCNCc1nccs1 270004a_100000750430_100000750902 [0,0,0,0,0,0|3,1,0]=4 1232 B12R1.37 OCCCCNCc1nccs1 34a_100000750430_100015184050 [0,0,0,0,0,0|3,1,0]=4 1233 B12R1.37 OCCCCOCc1ccco1 34a_100000210059_100011216708 [0,0,0,0,0,0|2,0,0]=2 1234 B12R1.37 OCCCCOCc1cccs1 34a_100000211240_100011216708 [0,0,0,0,0,0|2,1,0]=3 1235 B12R1.37 OCCCCOCc1ccno1 34a_100000740478_100011216708 [0,0,0,0,0,0|3,0,0]=3 1236 B12R1.37 OCCCCOCc1ccoc1 34a_100011215357_100011216708 [0,0,0,0,0,0|4,0,0]=4 1237 B12R1.37 OCCCCOCc1ccsc1 34a_100011215551_100011216708 [0,0,0,0,0,0|4,0,0]=4 1238 B12R1.37 OCCCCOCc1ncco1 34a_100000062594_100011216708 [0,0,0,0,0,0|3,0,0]=3 1239 B12R1.37 OCCCCOCn1cccn1 34a_100000731028_100011216708 [0,0,0,0,0,0|4,0,0]=4 1240 B12R1.37 OCCCCSCc1c[nH]cn1 62a_100000210776_100000707719 [0,0,0,0,0,0|4,0,0]=4 1241 B12R1.37 OCCCCSCc1c[nH]cn1 62a_100000707719_100000210776 [0,0,0,0,0,0|4,0,0]=4 1242 B12R1.37 OCCCCSCc1ccn[nH]1 62a_100000210776_100000728653 [0,0,0,0,0,0|4,0,0]=4 1243 B12R1.37 OCCCCSCc1ccn[nH]1 62a_100000728653_100000210776 [0,0,0,0,0,0|4,0,0]=4 1244 B12R1.37 OCCCCSCc1ccon1 62a_100000210776_100000234950 [0,0,0,0,0,0|4,0,0]=4 1245 B12R1.37 OCCCCSCc1ccon1 62a_100000234950_100000210776 [0,0,0,0,0,0|4,0,0]=4 1246 B12R1.37 OCCCCSCc1ccsc1 62a_100000210776_100011233845 [0,0,0,0,0,0|4,0,0]=4 1247 B12R1.37 OCCCCSCc1ccsc1 62a_100011261437_100000210776 [0,0,0,0,0,0|4,0,0]=4 1248 B12R1.37 OCCCCSCc1cncs1 62a_100000210776_100015185245 [0,0,0,0,0,0|3,1,0]=4 1249 B12R1.37 OCCCCSCc1cncs1 62a_100015185245_100000210776 [0,0,0,0,0,0|3,1,0]=4 1250 B12R1.37 OCCCCSCc1cscn1 62a_100000205941_100000210776 [0,0,0,0,0,0|4,0,0]=4 1251 B12R1.37 OCCCCSCc1cscn1 62a_100000210776_100000205941 [0,0,0,0,0,0|4,0,0]=4 1252 B12R1.37 OCCCCSCc1ncc[nH]1 62a_100000210776_100016991755 [0,0,0,0,0,0|4,0,0]=4 1253 B12R1.37 OCCCCSCc1ncc[nH]1 62a_100016991755_100000210776 [0,0,0,0,0,0|4,0,0]=4 1254 B12R1.37 OCCCCSCc1ncco1 62a_100000210776_103436540062 [0,0,0,0,0,0|3,0,0]=3 1255 B12R1.37 OCCCCSCc1ncco1 62a_103436540062_100000210776 [0,0,0,0,0,0|3,0,0]=3 1256 B12R1.37 OCCCCSCc1nccs1 62a_100000210776_100015184050 [0,0,0,0,0,0|3,1,0]=4 1257 B12R1.37 OCCCCSCc1nccs1 62a_100015184050_100000210776 [0,0,0,0,0,0|3,1,0]=4 1258 B12R1.37 OCCCNCCc1ccco1 2230a_100000694680_100000230001 [0,0,0,0,0,0|2,0,0]=2 1259 B12R1.37 OCCCNCCc1ccco1 34a_100000694680_100000230001 [0,0,0,0,0,0|2,0,0]=2 1260 B12R1.37 OCCCNCCc1cccs1 2230a_100000203755_100000230001 [0,0,0,0,0,0|2,1,0]=3 1261 B12R1.37 OCCCNCCc1cccs1 34a_100000203755_100000230001 [0,0,0,0,0,0|2,1,0]=3 1262 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,0,0,0,0,0|4,0,0]=4 1263 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,0,0,0,0,0|4,0,0]=4 1264 B12R1.37 OCCCNCCc1cncs1 2230a_100016991637_100000230001 [0,0,0,0,0,0|3,1,0]=4 1265 B12R1.37 OCCCNCCc1nccs1 2230a_100015186391_100000230001 [0,0,0,0,0,0|3,1,0]=4 1266 B12R1.37 OCCCNCCn1cccc1 34a_100011368172_100000230001 [0,0,0,0,0,0|4,0,0]=4 1267 B12R1.37 OCCCNCCn1cccn1 2230a_100011200920_100000230001 [0,0,0,0,0,0|4,0,0]=4 1268 B12R1.37 OCCCOCCc1cccs1 34a_100011216825_100000230001 [0,0,0,0,0,0|2,1,0]=3 1269 B12R1.37 OCCCOCCc1cccs1 7a_100011216825_100011215043 [0,0,0,0,0,0|2,1,0]=3 1270 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,0,0,0,0,0|4,0,0]=4 1271 B12R1.37 OCCCOCCc1ncc[nH]1 34a_103549771195_100000230001 [0,0,0,0,0,0|4,0,0]=4 1272 B12R1.37 OCCCOCCn1cccc1 34a_100000179382_100000230001 [0,0,0,0,0,0|4,0,0]=4 1273 B12R1.37 OCCCOCCn1cccn1 34a_100000743371_100000230001 [0,0,0,0,0,0|4,0,0]=4 1274 B12R1.37 OCCCSCCc1c[nH]cn1 62a_100011215043_100020628418 [0,0,0,0,0,0|4,0,0]=4 1275 B12R1.37 OCCCSCCc1c[nH]cn1 62a_100020628418_100011215043 [0,0,0,0,0,0|4,0,0]=4 1276 B12R1.37 OCCCSCCc1cccs1 62a_100000748579_100011215043 [0,0,0,0,0,0|2,1,0]=3 1277 B12R1.37 OCCCSCCc1cccs1 62a_100011215043_100000748579 [0,0,0,0,0,0|2,1,0]=3 1278 B12R1.37 OCCCSCCn1cccc1 62a_100011215043_200000035178 [0,0,0,0,0,0|4,0,0]=4 1279 B12R1.37 OCCCSCCn1cccc1 62a_200009811947_100011215043 [0,0,0,0,0,0|4,0,0]=4 1280 B12R1.37 OCCCSCCn1cccn1 62a_100011215043_100000685285 [0,0,0,0,0,0|4,0,0]=4 1281 B12R1.37 OCCCSCCn1cccn1 62a_100015204718_100011215043 [0,0,0,0,0,0|4,0,0]=4 1282 B12R1.37 OCCNCC=Cc1ccco1 270004a_100000210304_100000185671 [0,0,0,0,0,0|2,0,2]=4 1283 B12R1.37 OCCNCCCc1cccs1 2230a_100016997473_100010992444 [0,0,0,0,0,0|2,1,0]=3 1284 B12R1.37 OCCNCCCc1cccs1 34a_100016990907_100010992444 [0,0,0,0,0,0|2,1,0]=3 1285 B12R1.37 OCCNCCCn1cccc1 2230a_100016997473_200009814367 [0,0,0,0,0,0|4,0,0]=4 1286 B12R1.37 OCCNCCCn1cccc1 34a_100016990907_200009814367 [0,0,0,0,0,0|4,0,0]=4 1287 B12R1.37 OCCNCCCn1cccn1 2230a_100016997473_100000739983 [0,0,0,0,0,0|4,0,0]=4 1288 B12R1.37 OCCOCCCc1cccs1 34a_100011713143_100000211926 [0,0,0,0,0,0|2,1,0]=3 1289 B12R1.37 OCCOCCCc1cccs1 7a_100011713143_100000211926 [0,0,0,0,0,0|2,1,0]=3 1290 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [0,0,0,0,0,0|4,0,0]=4 1291 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [0,0,0,0,0,0|4,0,0]=4 1292 B12R1.37 OCCOCCCn1cccc1 34a_100000179399_100000211926 [0,0,0,0,0,0|4,0,0]=4 1293 B12R1.37 OCCOCCCn1cccc1 7a_100000179399_100000211926 [0,0,0,0,0,0|4,0,0]=4 1294 B12R1.37 OCCOCCCn1cccn1 34a_100000753614_100000211926 [0,0,0,0,0,0|4,0,0]=4 1295 B12R1.37 OCCOCCSc1ccco1 62a_100009814098_100011215305 [0,0,0,0,0,0|3,0,0]=3 1296 B12R1.37 OCCOCCSc1ccco1 62a_100011215305_100009814098 [0,0,0,0,0,0|3,0,0]=3 1297 B12R1.37 OCCOCCSc1cccs1 62a_100011215305_100011215356 [0,0,0,0,0,0|3,1,0]=4 1298 B12R1.37 OCCOCCSc1cccs1 62a_100011215356_100011215305 [0,0,0,0,0,0|3,1,0]=4 1299 B12R1.37 OCCOCCSc1cnco1 62a_100011215305_100020591547 [0,0,0,0,0,0|4,0,0]=4 1300 B12R1.37 OCCOCCSc1cnco1 62a_100020591547_100011215305 [0,0,0,0,0,0|4,0,0]=4 1301 B12R1.37 OCCOCCSc1ncco1 62a_100011215305_100011787736 [0,0,0,0,0,0|4,0,0]=4 1302 B12R1.37 OCCOCCSc1ncco1 62a_100011787736_100011215305 [0,0,0,0,0,0|4,0,0]=4 1303 B12R1.37 OCCSCCCc1cccs1 62a_100000211926_100010992444 [0,0,0,0,0,0|2,1,0]=3 1304 B12R1.37 OCCSCCCc1cccs1 62a_100010992444_100000211926 [0,0,0,0,0,0|2,1,0]=3 1305 B12R1.37 OCCSCCCn1cccc1 62a_100000211926_200009814367 [0,0,0,0,0,0|4,0,0]=4 1306 B12R1.37 OCCSCCCn1cccc1 62a_200009814367_100000211926 [0,0,0,0,0,0|4,0,0]=4 1307 B12R1.37 OCCSCCCn1cccn1 62a_100000211926_100000739983 [0,0,0,0,0,0|4,0,0]=4 1308 B12R1.37 OCCSCCCn1cccn1 62a_100000739983_100000211926 [0,0,0,0,0,0|4,0,0]=4 1309 B12R1.37 [13CH3]OCCCNCc1cccs1 34a_100015187169_200025704644 [0,0,0,0,0,0|2,1,0]=3 1310 B11R1.4 BrCCCOCc1ncco1 34a_100011217188_103436540062 [1,0,0,0,0,0|3,0,0]=4 1311 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [1,0,0,0,0,0|2,1,0]=4 1312 B11R1.4 C#CCCCSc1ccco1 62a_100009814098_100011215417 [1,0,0,0,0,0|1,0,2]=4 1313 B11R1.4 C#CCCCSc1ccco1 62a_100011215417_100009814098 [1,0,0,0,0,0|1,0,2]=4 1314 B11R1.4 C#CCCNCc1ccco1 2230a_100000185738_100000688953 [1,0,0,0,0,0|1,0,2]=4 1315 B11R1.4 C#CCCNCc1ccco1 34a_100000185738_100000688953 [1,0,0,0,0,0|1,0,2]=4 1316 B11R1.4 C#CCCOCc1ccco1 34a_100000210059_100000688953 [1,0,0,0,0,0|1,0,2]=4 1317 B11R1.4 C#CCNCCc1ccco1 2230a_100000694680_100000038162 [1,0,0,0,0,0|1,0,2]=4 1318 B11R1.4 C#CCNCCc1ccco1 34a_100000694680_100000184674 [1,0,0,0,0,0|1,0,2]=4 1319 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [1,0,0,0,0,0|1,0,2]=4 1320 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [1,0,0,0,0,0|1,0,2]=4 1321 B11R1.4 C=CCCCSc1ccco1 62a_100009814098_100000757094 [1,0,0,0,0,0|1,0,2]=4 1322 B11R1.4 C=CCCCSc1ccco1 62a_100011713584_100009814098 [1,0,0,0,0,0|1,0,2]=4 1323 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [1,0,0,0,0,0|1,0,2]=4 1324 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [1,0,0,0,0,0|1,0,2]=4 1325 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [1,0,0,0,0,0|1,0,2]=4 1326 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [1,0,0,0,0,0|1,0,2]=4 1327 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [1,0,0,0,0,0|1,0,2]=4 1328 B11R1.4 C=CCNCCc1ccco1 2230a_100000694680_100000210623 [1,0,0,0,0,0|1,0,2]=4 1329 B11R1.4 C=CCNCCc1ccco1 34a_100000694680_100015514636 [1,0,0,0,0,0|1,0,2]=4 1330 B11R1.4 CC#CCNCc1ccco1 2230a_100000185738_100000748600 [1,0,0,0,0,0|1,0,2]=4 1331 B11R1.4 CC#CCNCc1ccco1 34a_100000185738_100000748600 [1,0,0,0,0,0|1,0,2]=4 1332 B11R1.4 CC#CCOCc1ccco1 34a_100000210059_100000748600 [1,0,0,0,0,0|1,0,2]=4 1333 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [1,0,0,0,0,0|1,0,2]=4 1334 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [1,0,0,0,0,0|1,0,2]=4 1335 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [1,0,0,0,0,0|1,0,2]=4 1336 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [1,0,0,0,0,0|1,0,2]=4 1337 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [1,0,0,0,0,0|1,0,2]=4 1338 B11R1.4 CCC#CCSc1ccco1 62a_100009813939_100009814098 [1,0,0,0,0,0|1,0,2]=4 1339 B11R1.4 CCC#CCSc1ccco1 62a_100009814098_100009813939 [1,0,0,0,0,0|1,0,2]=4 1340 B11R1.4 CCCCC=Cc1ccco1 271570a_100016275911_100009814098 [1,0,0,0,0,0|0,0,2]=3 1341 B11R1.4 CCCCC=Cc1cccs1 271570a_100016275911_100011215356 [1,0,0,0,0,0|0,1,2]=4 1342 B11R1.4 CCCCC=Cc1cnco1 271570a_100016275911_100020591547 [1,0,0,0,0,0|1,0,2]=4 1343 B11R1.4 CCCCC=Cc1ncco1 271570a_100016275911_100011787736 [1,0,0,0,0,0|1,0,2]=4 1344 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [1,0,0,0,0,0|2,0,1]=4 1345 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [1,0,0,0,0,0|3,0,0]=4 1346 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [1,0,0,0,0,0|3,0,0]=4 1347 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000210326_100000756875 [1,0,0,0,0,0|3,0,0]=4 1348 B11R1.4 CCCCCSc1c[nH]cn1 62a_100000756875_100000210326 [1,0,0,0,0,0|3,0,0]=4 1349 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000062575_100000210326 [1,0,0,0,0,0|3,0,0]=4 1350 B11R1.4 CCCCCSc1cc[nH]n1 62a_100000210326_100000062575 [1,0,0,0,0,0|3,0,0]=4 1351 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [1,0,0,0,0,0|1,0,0]=2 1352 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [1,0,0,0,0,0|1,0,0]=2 1353 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [1,0,0,0,0,0|1,1,0]=3 1354 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [1,0,0,0,0,0|1,1,0]=3 1355 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [1,0,0,0,0,0|3,0,0]=4 1356 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [1,0,0,0,0,0|3,0,0]=4 1357 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [1,0,0,0,0,0|3,0,0]=4 1358 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [1,0,0,0,0,0|3,0,0]=4 1359 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [1,0,0,0,0,0|3,0,0]=4 1360 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [1,0,0,0,0,0|3,0,0]=4 1361 B11R1.4 CCCCCSc1ccsn1 62a_100000210326_100009818082 [1,0,0,0,0,0|3,0,0]=4 1362 B11R1.4 CCCCCSc1ccsn1 62a_100009818082_100000210326 [1,0,0,0,0,0|3,0,0]=4 1363 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [1,0,0,0,0,0|2,0,0]=3 1364 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [1,0,0,0,0,0|2,0,0]=3 1365 B11R1.4 CCCCCSc1cncs1 62a_100000210326_100011934649 [1,0,0,0,0,0|2,1,0]=4 1366 B11R1.4 CCCCCSc1cncs1 62a_100011934649_100000210326 [1,0,0,0,0,0|2,1,0]=4 1367 B11R1.4 CCCCCSc1cscn1 62a_100000210326_100000751502 [1,0,0,0,0,0|3,0,0]=4 1368 B11R1.4 CCCCCSc1cscn1 62a_100000751502_100000210326 [1,0,0,0,0,0|3,0,0]=4 1369 B11R1.4 CCCCCSc1ncc[nH]1 62a_100000210326_100025796157 [1,0,0,0,0,0|3,0,0]=4 1370 B11R1.4 CCCCCSc1ncc[nH]1 62a_100025796157_100000210326 [1,0,0,0,0,0|3,0,0]=4 1371 B11R1.4 CCCCCSc1ncco1 62a_100000210326_100011787736 [1,0,0,0,0,0|2,0,0]=3 1372 B11R1.4 CCCCCSc1ncco1 62a_100011787736_100000210326 [1,0,0,0,0,0|2,0,0]=3 1373 B11R1.4 CCCCCSc1nccs1 62a_100000210326_100000211983 [1,0,0,0,0,0|2,1,0]=4 1374 B11R1.4 CCCCCSc1nccs1 62a_100000211983_100000210326 [1,0,0,0,0,0|2,1,0]=4 1375 B11R1.4 CCCCNCc1c[nH]cn1 2230a_100000102301_100000707719 [1,0,0,0,0,0|3,0,0]=4 1376 B11R1.4 CCCCNCc1cc[nH]n1 207a_100000102301_100000738523 [1,0,0,0,0,0|3,0,0]=4 1377 B11R1.4 CCCCNCc1cc[nH]n1 270004a_100000102301_100000738523 [1,0,0,0,0,0|3,0,0]=4 1378 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [1,0,0,0,0,0|1,0,0]=2 1379 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [1,0,0,0,0,0|1,0,0]=2 1380 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [1,0,0,0,0,0|1,0,0]=2 1381 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [1,0,0,0,0,0|1,0,0]=2 1382 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [1,0,0,0,0,0|1,1,0]=3 1383 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [1,0,0,0,0,0|1,1,0]=3 1384 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [1,0,0,0,0,0|1,1,0]=3 1385 B11R1.4 CCCCNCc1ccn[nH]1 2230a_100000102301_100000728653 [1,0,0,0,0,0|3,0,0]=4 1386 B11R1.4 CCCCNCc1ccn[nH]1 7a_106832991798_100000728653 [1,0,0,0,0,0|3,0,0]=4 1387 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [1,0,0,0,0,0|3,0,0]=4 1388 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [1,0,0,0,0,0|3,0,0]=4 1389 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [1,0,0,0,0,0|3,0,0]=4 1390 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [1,0,0,0,0,0|3,0,0]=4 1391 B11R1.4 CCCCNCc1ccon1 2230a_100000102301_100000234950 [1,0,0,0,0,0|3,0,0]=4 1392 B11R1.4 CCCCNCc1ccon1 7a_106832991798_100000234950 [1,0,0,0,0,0|3,0,0]=4 1393 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [1,0,0,0,0,0|3,0,0]=4 1394 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [1,0,0,0,0,0|3,0,0]=4 1395 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [1,0,0,0,0,0|3,0,0]=4 1396 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [1,0,0,0,0,0|3,0,0]=4 1397 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [1,0,0,0,0,0|3,0,0]=4 1398 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [1,0,0,0,0,0|3,0,0]=4 1399 B11R1.4 CCCCNCc1cnc[nH]1 207a_100000102301_100000742939 [1,0,0,0,0,0|3,0,0]=4 1400 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [1,0,0,0,0,0|2,0,0]=3 1401 B11R1.4 CCCCNCc1cncs1 207a_100000102301_100000749870 [1,0,0,0,0,0|2,1,0]=4 1402 B11R1.4 CCCCNCc1cncs1 2230a_100000102301_100015185245 [1,0,0,0,0,0|2,1,0]=4 1403 B11R1.4 CCCCNCc1cncs1 2230a_100016987365_100000210211 [1,0,0,0,0,0|2,1,0]=4 1404 B11R1.4 CCCCNCc1cncs1 270004a_100000102301_100000749870 [1,0,0,0,0,0|2,1,0]=4 1405 B11R1.4 CCCCNCc1cncs1 7a_106832991798_100015185245 [1,0,0,0,0,0|2,1,0]=4 1406 B11R1.4 CCCCNCc1cocn1 270004a_100000102301_100000050382 [1,0,0,0,0,0|3,0,0]=4 1407 B11R1.4 CCCCNCc1cscn1 207a_100000102301_100000743575 [1,0,0,0,0,0|3,0,0]=4 1408 B11R1.4 CCCCNCc1cscn1 2230a_100000102301_100000205941 [1,0,0,0,0,0|3,0,0]=4 1409 B11R1.4 CCCCNCc1cscn1 2230a_100015185402_100000210211 [1,0,0,0,0,0|3,0,0]=4 1410 B11R1.4 CCCCNCc1cscn1 270004a_100000102301_100000743575 [1,0,0,0,0,0|3,0,0]=4 1411 B11R1.4 CCCCNCc1cscn1 7a_106832991798_100000205941 [1,0,0,0,0,0|3,0,0]=4 1412 B11R1.4 CCCCNCc1ncc[nH]1 207a_100000102301_100000743867 [1,0,0,0,0,0|3,0,0]=4 1413 B11R1.4 CCCCNCc1ncc[nH]1 2230a_100000102301_100016991755 [1,0,0,0,0,0|3,0,0]=4 1414 B11R1.4 CCCCNCc1ncc[nH]1 7a_106832991798_100000753453 [1,0,0,0,0,0|3,0,0]=4 1415 B11R1.4 CCCCNCc1ncco1 2230a_100000102301_103436540062 [1,0,0,0,0,0|2,0,0]=3 1416 B11R1.4 CCCCNCc1ncco1 2230a_100016994969_100000210211 [1,0,0,0,0,0|2,0,0]=3 1417 B11R1.4 CCCCNCc1ncco1 270004a_100000102301_100000064290 [1,0,0,0,0,0|2,0,0]=3 1418 B11R1.4 CCCCNCc1ncco1 7a_106832991798_103436540062 [1,0,0,0,0,0|2,0,0]=3 1419 B11R1.4 CCCCNCc1nccs1 207a_100000102301_100000750902 [1,0,0,0,0,0|2,1,0]=4 1420 B11R1.4 CCCCNCc1nccs1 2230a_100000102301_100015184050 [1,0,0,0,0,0|2,1,0]=4 1421 B11R1.4 CCCCNCc1nccs1 2230a_100000740555_100000210211 [1,0,0,0,0,0|2,1,0]=4 1422 B11R1.4 CCCCNCc1nccs1 270004a_100000102301_100000750902 [1,0,0,0,0,0|2,1,0]=4 1423 B11R1.4 CCCCNCc1nccs1 7a_106832991798_100015184050 [1,0,0,0,0,0|2,1,0]=4 1424 B11R1.4 CCCCOCc1c[nH]cn1 34a_100000210227_100000707719 [1,0,0,0,0,0|3,0,0]=4 1425 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [1,0,0,0,0,0|1,0,0]=2 1426 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [1,0,0,0,0,0|1,1,0]=3 1427 B11R1.4 CCCCOCc1ccn[nH]1 34a_100000210227_100000728653 [1,0,0,0,0,0|3,0,0]=4 1428 B11R1.4 CCCCOCc1ccn[nH]1 7a_100000210227_100000728653 [1,0,0,0,0,0|3,0,0]=4 1429 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [1,0,0,0,0,0|2,0,0]=3 1430 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [1,0,0,0,0,0|3,0,0]=4 1431 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [1,0,0,0,0,0|3,0,0]=4 1432 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [1,0,0,0,0,0|3,0,0]=4 1433 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [1,0,0,0,0,0|3,0,0]=4 1434 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [1,0,0,0,0,0|3,0,0]=4 1435 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [1,0,0,0,0,0|3,0,0]=4 1436 B11R1.4 CCCCOCc1cncs1 34a_100000210227_100015185245 [1,0,0,0,0,0|2,1,0]=4 1437 B11R1.4 CCCCOCc1cncs1 7a_100000210227_100015185245 [1,0,0,0,0,0|2,1,0]=4 1438 B11R1.4 CCCCOCc1cscn1 34a_100000210227_100000205941 [1,0,0,0,0,0|3,0,0]=4 1439 B11R1.4 CCCCOCc1cscn1 7a_100000210227_100000205941 [1,0,0,0,0,0|3,0,0]=4 1440 B11R1.4 CCCCOCc1ncc[nH]1 34a_100000210227_100016991755 [1,0,0,0,0,0|3,0,0]=4 1441 B11R1.4 CCCCOCc1ncc[nH]1 7a_100000210227_100000753453 [1,0,0,0,0,0|3,0,0]=4 1442 B11R1.4 CCCCOCc1ncco1 34a_100000062594_100000210210 [1,0,0,0,0,0|2,0,0]=3 1443 B11R1.4 CCCCOCc1ncco1 34a_100000210227_103436540062 [1,0,0,0,0,0|2,0,0]=3 1444 B11R1.4 CCCCOCc1ncco1 7a_100000210227_103436540062 [1,0,0,0,0,0|2,0,0]=3 1445 B11R1.4 CCCCOCc1nccs1 34a_100000210227_100015184050 [1,0,0,0,0,0|2,1,0]=4 1446 B11R1.4 CCCCOCc1nccs1 7a_100000210227_100015184050 [1,0,0,0,0,0|2,1,0]=4 1447 B11R1.4 CCCCOCn1cccn1 34a_100000731028_100000210210 [1,0,0,0,0,0|3,0,0]=4 1448 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000210211_100000707719 [1,0,0,0,0,0|3,0,0]=4 1449 B11R1.4 CCCCSCc1c[nH]cn1 62a_100000707719_100000210210 [1,0,0,0,0,0|3,0,0]=4 1450 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000210211_100000728653 [1,0,0,0,0,0|3,0,0]=4 1451 B11R1.4 CCCCSCc1ccn[nH]1 62a_100000728653_100000210210 [1,0,0,0,0,0|3,0,0]=4 1452 B11R1.4 CCCCSCc1ccon1 62a_100000210211_100000234950 [1,0,0,0,0,0|3,0,0]=4 1453 B11R1.4 CCCCSCc1ccon1 62a_100000234950_100000210210 [1,0,0,0,0,0|3,0,0]=4 1454 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [1,0,0,0,0,0|3,0,0]=4 1455 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [1,0,0,0,0,0|3,0,0]=4 1456 B11R1.4 CCCCSCc1cncs1 62a_100000210211_100015185245 [1,0,0,0,0,0|2,1,0]=4 1457 B11R1.4 CCCCSCc1cncs1 62a_100015185245_100000210210 [1,0,0,0,0,0|2,1,0]=4 1458 B11R1.4 CCCCSCc1cscn1 62a_100000205941_100000210210 [1,0,0,0,0,0|3,0,0]=4 1459 B11R1.4 CCCCSCc1cscn1 62a_100000210211_100000205941 [1,0,0,0,0,0|3,0,0]=4 1460 B11R1.4 CCCCSCc1ncc[nH]1 62a_100000210211_100016991755 [1,0,0,0,0,0|3,0,0]=4 1461 B11R1.4 CCCCSCc1ncc[nH]1 62a_100016991755_100000210210 [1,0,0,0,0,0|3,0,0]=4 1462 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [1,0,0,0,0,0|2,0,0]=3 1463 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [1,0,0,0,0,0|2,0,0]=3 1464 B11R1.4 CCCCSCc1nccs1 62a_100000210211_100015184050 [1,0,0,0,0,0|2,1,0]=4 1465 B11R1.4 CCCCSCc1nccs1 62a_100015184050_100000210210 [1,0,0,0,0,0|2,1,0]=4 1466 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [1,0,0,0,0,0|1,0,0]=2 1467 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [1,0,0,0,0,0|1,0,0]=2 1468 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [1,0,0,0,0,0|1,1,0]=3 1469 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [1,0,0,0,0,0|1,1,0]=3 1470 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [1,0,0,0,0,0|3,0,0]=4 1471 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [1,0,0,0,0,0|3,0,0]=4 1472 B11R1.4 CCCNCCc1cncs1 2230a_100016991637_100000210303 [1,0,0,0,0,0|2,1,0]=4 1473 B11R1.4 CCCNCCc1nccs1 2230a_100015186391_100000210303 [1,0,0,0,0,0|2,1,0]=4 1474 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [1,0,0,0,0,0|3,0,0]=4 1475 B11R1.4 CCCNCCn1cccn1 2230a_100011200920_100000210303 [1,0,0,0,0,0|3,0,0]=4 1476 B11R1.4 CCCNN=Cc1ccco1 4a_100000740057_100000186105 [1,0,0,0,0,0|2,0,1]=4 1477 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [1,0,0,0,0,0|1,1,0]=3 1478 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [1,0,0,0,0,0|1,1,0]=3 1479 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [1,0,0,0,0,0|1,1,0]=3 1480 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [1,0,0,0,0,0|3,0,0]=4 1481 B11R1.4 CCCOCCc1ncc[nH]1 34a_103549771195_100000210303 [1,0,0,0,0,0|3,0,0]=4 1482 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [1,0,0,0,0,0|3,0,0]=4 1483 B11R1.4 CCCOCCn1cccn1 34a_100000210258_100015204718 [1,0,0,0,0,0|3,0,0]=4 1484 B11R1.4 CCCOCCn1cccn1 34a_100000743371_100000210303 [1,0,0,0,0,0|3,0,0]=4 1485 B11R1.4 CCCSCCc1c[nH]cn1 62a_100000210303_100020628418 [1,0,0,0,0,0|3,0,0]=4 1486 B11R1.4 CCCSCCc1c[nH]cn1 62a_100020628418_100000210303 [1,0,0,0,0,0|3,0,0]=4 1487 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [1,0,0,0,0,0|1,1,0]=3 1488 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [1,0,0,0,0,0|1,1,0]=3 1489 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [1,0,0,0,0,0|3,0,0]=4 1490 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [1,0,0,0,0,0|3,0,0]=4 1491 B11R1.4 CCCSCCn1cccn1 62a_100000210303_100000685285 [1,0,0,0,0,0|3,0,0]=4 1492 B11R1.4 CCCSCCn1cccn1 62a_100015204718_100000210303 [1,0,0,0,0,0|3,0,0]=4 1493 B11R1.4 CCNCC=Cc1ccco1 270004a_100015525214_100000185671 [1,0,0,0,0,0|1,0,2]=4 1494 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [1,0,0,0,0,0|1,1,0]=3 1495 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [1,0,0,0,0,0|3,0,0]=4 1496 B11R1.4 CCNCCCn1cccn1 2230a_100015525214_100000739983 [1,0,0,0,0,0|3,0,0]=4 1497 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [1,0,0,0,0,0|1,1,0]=3 1498 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [1,0,0,0,0,0|1,1,0]=3 1499 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [1,0,0,0,0,0|1,1,0]=3 1500 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [1,0,0,0,0,0|3,0,0]=4 1501 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [1,0,0,0,0,0|3,0,0]=4 1502 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [1,0,0,0,0,0|3,0,0]=4 1503 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [1,0,0,0,0,0|3,0,0]=4 1504 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [1,0,0,0,0,0|3,0,0]=4 1505 B11R1.4 CCOCCCn1cccn1 34a_100000753614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1506 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [1,0,0,0,0,0|2,0,0]=3 1507 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [1,0,0,0,0,0|2,0,0]=3 1508 B11R1.4 CCOCCSc1cccs1 62a_100000210147_100011215356 [1,0,0,0,0,0|2,1,0]=4 1509 B11R1.4 CCOCCSc1cccs1 62a_100011215356_100011215890 [1,0,0,0,0,0|2,1,0]=4 1510 B11R1.4 CCOCCSc1cnco1 62a_100000210147_100020591547 [1,0,0,0,0,0|3,0,0]=4 1511 B11R1.4 CCOCCSc1cnco1 62a_100020591547_100011215890 [1,0,0,0,0,0|3,0,0]=4 1512 B11R1.4 CCOCCSc1ncco1 62a_100000210147_100011787736 [1,0,0,0,0,0|3,0,0]=4 1513 B11R1.4 CCOCCSc1ncco1 62a_100011787736_100011215890 [1,0,0,0,0,0|3,0,0]=4 1514 B11R1.4 CCOCSCc1ncco1 62a_100000739092_103436540062 [1,0,0,0,0,0|3,0,0]=4 1515 B11R1.4 CCOCSCc1ncco1 62a_103436540062_100000739092 [1,0,0,0,0,0|3,0,0]=4 1516 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [1,0,0,0,0,0|1,1,0]=3 1517 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [1,0,0,0,0,0|1,1,0]=3 1518 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [1,0,0,0,0,0|3,0,0]=4 1519 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [1,0,0,0,0,0|3,0,0]=4 1520 B11R1.4 CCSCCCn1cccn1 62a_100000210202_100000739983 [1,0,0,0,0,0|3,0,0]=4 1521 B11R1.4 CCSCCCn1cccn1 62a_100000739983_100000210202 [1,0,0,0,0,0|3,0,0]=4 1522 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [1,0,0,0,0,0|2,0,0]=3 1523 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [1,0,0,0,0,0|2,0,0]=3 1524 B11R1.4 CCSCCSc1cccs1 62a_100000757381_100011215356 [1,0,0,0,0,0|2,1,0]=4 1525 B11R1.4 CCSCCSc1cccs1 62a_100011215356_100000757381 [1,0,0,0,0,0|2,1,0]=4 1526 B11R1.4 CCSCCSc1cnco1 62a_100000757381_100020591547 [1,0,0,0,0,0|3,0,0]=4 1527 B11R1.4 CCSCCSc1cnco1 62a_100020591547_100000757381 [1,0,0,0,0,0|3,0,0]=4 1528 B11R1.4 CCSCCSc1ncco1 62a_100000757381_100011787736 [1,0,0,0,0,0|3,0,0]=4 1529 B11R1.4 CCSCCSc1ncco1 62a_100011787736_100000757381 [1,0,0,0,0,0|3,0,0]=4 1530 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [1,0,0,0,0,0|2,0,0]=3 1531 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [1,0,0,0,0,0|2,0,0]=3 1532 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [1,0,0,0,0,0|2,0,0]=3 1533 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [1,0,0,0,0,0|2,0,0]=3 1534 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [1,0,0,0,0,0|2,1,0]=4 1535 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [1,0,0,0,0,0|2,1,0]=4 1536 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [1,0,0,0,0,0|3,0,0]=4 1537 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [1,0,0,0,0,0|3,0,0]=4 1538 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [1,0,0,0,0,0|3,0,0]=4 1539 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [1,0,0,0,0,0|3,0,0]=4 1540 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [1,0,0,0,0,0|2,0,0]=3 1541 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [1,0,0,0,0,0|2,0,0]=3 1542 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [1,0,0,0,0,0|2,0,0]=3 1543 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [1,0,0,0,0,0|2,0,0]=3 1544 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [1,0,0,0,0,0|2,1,0]=4 1545 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [1,0,0,0,0,0|2,1,0]=4 1546 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [1,0,0,0,0,0|2,1,0]=4 1547 B11R1.4 COCCNCc1cnco1 270004a_100000209980_100000064291 [1,0,0,0,0,0|3,0,0]=4 1548 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [1,0,0,0,0,0|3,0,0]=4 1549 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [1,0,0,0,0,0|3,0,0]=4 1550 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [1,0,0,0,0,0|3,0,0]=4 1551 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [1,0,0,0,0,0|2,0,0]=3 1552 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [1,0,0,0,0,0|2,1,0]=4 1553 B11R1.4 COCCOCc1ccno1 34a_100000740478_100011201679 [1,0,0,0,0,0|3,0,0]=4 1554 B11R1.4 COCCOCc1ncco1 34a_100000062594_100011201679 [1,0,0,0,0,0|3,0,0]=4 1555 B11R1.4 COCCOCc1ncco1 34a_100000210237_103436540062 [1,0,0,0,0,0|3,0,0]=4 1556 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [1,0,0,0,0,0|3,0,0]=4 1557 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [1,0,0,0,0,0|3,0,0]=4 1558 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [1,0,0,0,0,0|2,0,0]=3 1559 B11R1.4 COCNCCc1cccs1 2230a_100000203755_100000766300 [1,0,0,0,0,0|2,1,0]=4 1560 B11R1.4 COCSCCc1cccs1 62a_100000748579_100000766300 [1,0,0,0,0,0|2,1,0]=4 1561 B11R1.4 COCSCCc1cccs1 62a_100000766300_100000748579 [1,0,0,0,0,0|2,1,0]=4 1562 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [1,0,0,0,0,0|2,0,0]=3 1563 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [1,0,0,0,0,0|2,0,0]=3 1564 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [1,0,0,0,0,0|2,0,0]=3 1565 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [1,0,0,0,0,0|2,0,0]=3 1566 B11R1.4 CSCCNCc1cccs1 207a_100020590264_100000209959 [1,0,0,0,0,0|2,1,0]=4 1567 B11R1.4 CSCCNCc1cccs1 2230a_100000211653_100000751147 [1,0,0,0,0,0|2,1,0]=4 1568 B11R1.4 CSCCNCc1cccs1 270004a_100020590264_100000209959 [1,0,0,0,0,0|2,1,0]=4 1569 B11R1.4 CSCCNCc1cnco1 270004a_100020590264_100000064291 [1,0,0,0,0,0|3,0,0]=4 1570 B11R1.4 CSCCNCc1ncco1 2230a_100016994969_100000751147 [1,0,0,0,0,0|3,0,0]=4 1571 B11R1.4 CSCCNCc1ncco1 2230a_100020590264_103436540062 [1,0,0,0,0,0|3,0,0]=4 1572 B11R1.4 CSCCNCc1ncco1 270004a_100020590264_100000064290 [1,0,0,0,0,0|3,0,0]=4 1573 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [1,0,0,0,0,0|2,0,0]=3 1574 B11R1.4 CSCCOCc1cccs1 34a_100000211240_100000212216 [1,0,0,0,0,0|2,1,0]=4 1575 B11R1.4 CSCCOCc1ccno1 34a_100000740478_100000212216 [1,0,0,0,0,0|3,0,0]=4 1576 B11R1.4 CSCCOCc1ncco1 34a_100000062594_100000212216 [1,0,0,0,0,0|3,0,0]=4 1577 B11R1.4 CSCCOCc1ncco1 34a_100000230434_103436540062 [1,0,0,0,0,0|3,0,0]=4 1578 B11R1.4 CSCCOCc1ncco1 7a_100000230434_103436540062 [1,0,0,0,0,0|3,0,0]=4 1579 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [1,0,0,0,0,0|3,0,0]=4 1580 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [1,0,0,0,0,0|3,0,0]=4 1581 B11R1.4 CSCNCCc1ccco1 2230a_100000694680_100011218213 [1,0,0,0,0,0|2,0,0]=3 1582 B11R1.4 CSCNCCc1ccco1 34a_100000694680_100011218213 [1,0,0,0,0,0|2,0,0]=3 1583 B11R1.4 CSCNCCc1cccs1 2230a_100000203755_100011218213 [1,0,0,0,0,0|2,1,0]=4 1584 B11R1.4 CSCNCCc1cccs1 34a_100000203755_100011218213 [1,0,0,0,0,0|2,1,0]=4 1585 B11R1.4 CSCOCCc1cccs1 34a_100011216825_100011218213 [1,0,0,0,0,0|2,1,0]=4 1586 B11R1.4 CSCSCCc1cccs1 62a_100000748579_100011218213 [1,0,0,0,0,0|2,1,0]=4 1587 B11R1.4 CSCSCCc1cccs1 62a_100011218213_100000748579 [1,0,0,0,0,0|2,1,0]=4 1588 B11R1.4 ClCCCOCc1ncco1 34a_100000230001_103436540062 [1,0,0,0,0,0|3,0,0]=4 1589 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [1,0,0,0,0,0|2,0,0]=3 1590 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [1,0,0,0,0,0|2,0,0]=3 1591 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [1,0,0,0,0,0|2,1,0]=4 1592 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [1,0,0,0,0,0|2,1,0]=4 1593 B11R1.4 FCCCCSc1cnco1 62a_100000729493_100020591547 [1,0,0,0,0,0|3,0,0]=4 1594 B11R1.4 FCCCCSc1cnco1 62a_100020591547_100000729493 [1,0,0,0,0,0|3,0,0]=4 1595 B11R1.4 FCCCCSc1ncco1 62a_100000729493_100011787736 [1,0,0,0,0,0|3,0,0]=4 1596 B11R1.4 FCCCCSc1ncco1 62a_100011787736_100000729493 [1,0,0,0,0,0|3,0,0]=4 1597 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [1,0,0,0,0,0|2,0,0]=3 1598 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [1,0,0,0,0,0|2,0,0]=3 1599 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [1,0,0,0,0,0|2,0,0]=3 1600 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [1,0,0,0,0,0|2,0,0]=3 1601 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [1,0,0,0,0,0|2,1,0]=4 1602 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [1,0,0,0,0,0|2,1,0]=4 1603 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [1,0,0,0,0,0|2,1,0]=4 1604 B11R1.4 FCCCNCc1cnco1 270004a_100015189416_100000064291 [1,0,0,0,0,0|3,0,0]=4 1605 B11R1.4 FCCCNCc1ncco1 2230a_100015189416_103436540062 [1,0,0,0,0,0|3,0,0]=4 1606 B11R1.4 FCCCNCc1ncco1 2230a_100016994969_100011934791 [1,0,0,0,0,0|3,0,0]=4 1607 B11R1.4 FCCCNCc1ncco1 270004a_100015189416_100000064290 [1,0,0,0,0,0|3,0,0]=4 1608 B11R1.4 FCCCNCc1ncco1 34a_100015189416_103436540062 [1,0,0,0,0,0|3,0,0]=4 1609 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [1,0,0,0,0,0|2,0,0]=3 1610 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [1,0,0,0,0,0|2,1,0]=4 1611 B11R1.4 FCCCOCc1ccno1 34a_100000740478_100011934791 [1,0,0,0,0,0|3,0,0]=4 1612 B11R1.4 FCCCOCc1ncco1 34a_100000062594_100011934791 [1,0,0,0,0,0|3,0,0]=4 1613 B11R1.4 FCCCOCc1ncco1 34a_100000759539_103436540062 [1,0,0,0,0,0|3,0,0]=4 1614 B11R1.4 FCCCSCc1ncco1 62a_100011934791_103436540062 [1,0,0,0,0,0|3,0,0]=4 1615 B11R1.4 FCCCSCc1ncco1 62a_103436540062_100011934791 [1,0,0,0,0,0|3,0,0]=4 1616 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [1,0,0,0,0,0|2,0,0]=3 1617 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [1,0,0,0,0,0|2,0,0]=3 1618 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [1,0,0,0,0,0|2,1,0]=4 1619 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [1,0,0,0,0,0|2,1,0]=4 1620 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [1,0,0,0,0,0|2,1,0]=4 1621 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [1,0,0,0,0,0|2,1,0]=4 1622 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [1,0,0,0,0,0|2,1,0]=4 1623 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [1,0,0,0,0,0|2,1,0]=4 1624 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [1,0,0,0,0,0|2,1,0]=4 1625 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [1,0,0,0,0,0|2,1,0]=4 1626 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [1,0,0,0,0,0|2,1,0]=4 1627 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [1,0,0,0,0,0|2,1,0]=4 1628 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [1,0,0,0,0,0|2,1,0]=4 1629 B11R1.4 N#CCCCSc1ccco1 62a_100000687738_100009814098 [1,0,0,0,0,0|2,0,1]=4 1630 B11R1.4 N#CCCCSc1ccco1 62a_100009814098_100000687738 [1,0,0,0,0,0|2,0,1]=4 1631 B11R1.4 N#CCCNCc1ccco1 2230a_100000185738_100011215226 [1,0,0,0,0,0|2,0,1]=4 1632 B11R1.4 N#CCCNCc1ccco1 270004a_100000720768_100000186105 [1,0,0,0,0,0|2,0,1]=4 1633 B11R1.4 N#CCNCCc1ccco1 2230a_100000694680_100011215382 [1,0,0,0,0,0|2,0,1]=4 1634 B11R1.4 NCCCOCc1ncco1 34a_100000182051_103436540062 [1,0,0,0,0,0|3,0,0]=4 1635 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [1,0,0,0,0,0|2,1,0]=4 1636 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [1,0,0,0,0,0|2,0,1]=4 1637 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [1,0,0,0,0,0|2,0,1]=4 1638 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [1,0,0,0,0,0|2,0,1]=4 1639 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [1,0,0,0,0,0|2,0,1]=4 1640 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [1,0,0,0,0,0|2,0,0]=3 1641 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [1,0,0,0,0,0|2,0,0]=3 1642 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [1,0,0,0,0,0|2,1,0]=4 1643 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [1,0,0,0,0,0|2,1,0]=4 1644 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [1,0,0,0,0,0|3,0,0]=4 1645 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [1,0,0,0,0,0|3,0,0]=4 1646 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [1,0,0,0,0,0|3,0,0]=4 1647 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [1,0,0,0,0,0|3,0,0]=4 1648 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [1,0,0,0,0,0|2,0,0]=3 1649 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [1,0,0,0,0,0|2,0,0]=3 1650 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [1,0,0,0,0,0|2,0,0]=3 1651 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [1,0,0,0,0,0|2,0,0]=3 1652 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [1,0,0,0,0,0|2,1,0]=4 1653 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [1,0,0,0,0,0|2,1,0]=4 1654 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [1,0,0,0,0,0|2,1,0]=4 1655 B11R1.4 OCCCNCc1cnco1 270004a_100000182051_100000064291 [1,0,0,0,0,0|3,0,0]=4 1656 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [1,0,0,0,0,0|3,0,0]=4 1657 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [1,0,0,0,0,0|3,0,0]=4 1658 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [1,0,0,0,0,0|2,0,0]=3 1659 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [1,0,0,0,0,0|2,1,0]=4 1660 B11R1.4 OCCCOCc1ccno1 34a_100000740478_100000230001 [1,0,0,0,0,0|3,0,0]=4 1661 B11R1.4 OCCCOCc1ncco1 34a_100000062594_100000230001 [1,0,0,0,0,0|3,0,0]=4 1662 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [1,0,0,0,0,0|3,0,0]=4 1663 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [1,0,0,0,0,0|3,0,0]=4 1664 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [1,0,0,0,0,0|2,0,0]=3 1665 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [1,0,0,0,0,0|2,0,0]=3 1666 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [1,0,0,0,0,0|2,1,0]=4 1667 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [1,0,0,0,0,0|2,1,0]=4 1668 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [1,0,0,0,0,0|2,1,0]=4 1669 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [1,0,0,0,0,0|2,1,0]=4 1670 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [1,0,0,0,0,0|2,1,0]=4 1671 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [1,0,0,0,0,0|2,1,0]=4 1672 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [1,0,0,0,0,0|2,1,0]=4 1673 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [1,0,0,0,0,0|2,1,0]=4 1674 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [1,0,0,0,0,0|2,0,0]=3 1675 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [1,0,0,0,0,0|2,0,0]=3 1676 B13R1.27 BrCCCCOCc1cc(cs1)Br 34a_100011216708_100000746031 [0,1,0,0,0,0|2,1,0]=4 1677 B13R1.27 BrCCCCOCc1ccc(s1)Br 34a_100011216708_100000708592 [0,1,0,0,0,0|2,1,0]=4 1678 B13R1.27 Brc1ccc(s1)COCCCCI 34a_200012148704_100000708592 [0,1,0,0,0,0|2,1,0]=4 1679 B13R1.27 Brc1csc(c1)COCCCCI 34a_200012148704_100000746031 [0,1,0,0,0,0|2,1,0]=4 1680 B13R1.27 C#CCCCNCc1cc(co1)Br 270004a_100000718082_100000747035 [0,1,0,0,0,0|1,0,2]=4 1681 B13R1.27 C#CCCCNCc1ccc(o1)Br 207a_100000718082_100000185145 [0,1,0,0,0,0|1,0,2]=4 1682 B13R1.27 C#CCCCNCc1ccc(o1)Br 270004a_100000718082_100000185145 [0,1,0,0,0,0|1,0,2]=4 1683 B13R1.27 C#CCCCNCc1ccc(o1)Br 34a_100000708654_100000695029 [0,1,0,0,0,0|1,0,2]=4 1684 B13R1.27 C#CCCCNCc1ccc(o1)C 207a_100000718082_100000183696 [0,1,0,0,0,0|1,0,2]=4 1685 B13R1.27 C#CCCCNCc1ccc(o1)C 270004a_100000718082_100000183696 [0,1,0,0,0,0|1,0,2]=4 1686 B13R1.27 C#CCCCNCc1ccc(o1)C 34a_100011194323_100000695029 [0,1,0,0,0,0|1,0,2]=4 1687 B13R1.27 C#CCCCNCc1ccc(o1)Cl 207a_100000718082_100000188459 [0,1,0,0,0,0|1,0,2]=4 1688 B13R1.27 C#CCCCNCc1ccc(o1)Cl 270004a_100000718082_100000188459 [0,1,0,0,0,0|1,0,2]=4 1689 B13R1.27 C#CCCCNCc1ccc(o1)I 207a_100000718082_100000186757 [0,1,0,0,0,0|1,0,2]=4 1690 B13R1.27 C#CCCCOCc1ccc(o1)Br 34a_100000246276_100000695029 [0,1,0,0,0,0|1,0,2]=4 1691 B13R1.27 C#CCCCOCc1ccc(o1)Br 7a_100000246276_100011215417 [0,1,0,0,0,0|1,0,2]=4 1692 B13R1.27 C#CCCCOCc1ccc(o1)C 34a_100011232665_100000695029 [0,1,0,0,0,0|1,0,2]=4 1693 B13R1.27 C#CCCCOCc1ccc(o1)C 7a_100011232665_100011215417 [0,1,0,0,0,0|1,0,2]=4 1694 B13R1.27 C#CCCNCCc1ccc(o1)C 2230a_100000739271_100000688953 [0,1,0,0,0,0|1,0,2]=4 1695 B13R1.27 C#CCCNCCc1ccc(o1)C 34a_100000739271_100000688953 [0,1,0,0,0,0|1,0,2]=4 1696 B13R1.27 C#CCCOCCc1ccc(o1)C 34a_100012161071_100000688953 [0,1,0,0,0,0|1,0,2]=4 1697 B13R1.27 C#CCCOCCc1ccc(o1)C 7a_100012161071_100000688953 [0,1,0,0,0,0|1,0,2]=4 1698 B13R1.27 C/C=C/CNCCc1ccc(o1)C 34a_100000739271_100102629194 [0,1,0,0,0,0|1,0,2]=4 1699 B13R1.27 C/C=C/COCCc1ccc(o1)C 34a_100012161071_100102629194 [0,1,0,0,0,0|1,0,2]=4 1700 B13R1.27 C/C=C/COCCc1ccc(o1)C 7a_100012161071_100102629194 [0,1,0,0,0,0|1,0,2]=4 1701 B13R1.27 C=CCCCNCc1cc(co1)Br 270004a_100000700776_100000747035 [0,1,0,0,0,0|1,0,2]=4 1702 B13R1.27 C=CCCCNCc1ccc(o1)Br 270004a_100000700776_100000185145 [0,1,0,0,0,0|1,0,2]=4 1703 B13R1.27 C=CCCCNCc1ccc(o1)Br 34a_100000708654_100000757094 [0,1,0,0,0,0|1,0,2]=4 1704 B13R1.27 C=CCCCNCc1ccc(o1)C 270004a_100000700776_100000183696 [0,1,0,0,0,0|1,0,2]=4 1705 B13R1.27 C=CCCCNCc1ccc(o1)C 34a_100011194323_100000757094 [0,1,0,0,0,0|1,0,2]=4 1706 B13R1.27 C=CCCCNCc1ccc(o1)Cl 270004a_100000700776_100000188459 [0,1,0,0,0,0|1,0,2]=4 1707 B13R1.27 C=CCCCOCc1ccc(o1)Br 34a_100000246276_100000757094 [0,1,0,0,0,0|1,0,2]=4 1708 B13R1.27 C=CCCCOCc1ccc(o1)Br 7a_100000246276_100000757094 [0,1,0,0,0,0|1,0,2]=4 1709 B13R1.27 C=CCCCOCc1ccc(o1)C 34a_100011232665_100000757094 [0,1,0,0,0,0|1,0,2]=4 1710 B13R1.27 C=CCCCOCc1ccc(o1)C 7a_100011232665_100000757094 [0,1,0,0,0,0|1,0,2]=4 1711 B13R1.27 C=CCCNCCc1ccc(o1)C 2230a_100000739271_100000754431 [0,1,0,0,0,0|1,0,2]=4 1712 B13R1.27 C=CCCNCCc1ccc(o1)C 34a_100000739271_100000754431 [0,1,0,0,0,0|1,0,2]=4 1713 B13R1.27 C=CCCOCCc1ccc(o1)C 34a_100012161071_100000754431 [0,1,0,0,0,0|1,0,2]=4 1714 B13R1.27 C=CCCOCCc1ccc(o1)C 7a_100012161071_100000754431 [0,1,0,0,0,0|1,0,2]=4 1715 B13R1.27 CC#CCNCCc1ccc(o1)C 2230a_100000739271_100000748600 [0,1,0,0,0,0|1,0,2]=4 1716 B13R1.27 CC#CCNCCc1ccc(o1)C 34a_100000739271_100000748600 [0,1,0,0,0,0|1,0,2]=4 1717 B13R1.27 CC#CCOCCc1ccc(o1)C 34a_100012161071_100000748600 [0,1,0,0,0,0|1,0,2]=4 1718 B13R1.27 CC#CCOCCc1ccc(o1)C 7a_100012161071_100000748600 [0,1,0,0,0,0|1,0,2]=4 1719 B13R1.27 CC/C=C\CNCc1ccc(o1)Br 34a_100000708654_100103147603 [0,1,0,0,0,0|1,0,2]=4 1720 B13R1.27 CC/C=C\CNCc1ccc(o1)C 34a_100011194323_100103147603 [0,1,0,0,0,0|1,0,2]=4 1721 B13R1.27 CC/C=C\COCc1ccc(o1)Br 34a_100000246276_100103147603 [0,1,0,0,0,0|1,0,2]=4 1722 B13R1.27 CC/C=C\COCc1ccc(o1)Br 7a_100000246276_100103147603 [0,1,0,0,0,0|1,0,2]=4 1723 B13R1.27 CC/C=C\COCc1ccc(o1)C 34a_100011232665_100103147603 [0,1,0,0,0,0|1,0,2]=4 1724 B13R1.27 CC/C=C\COCc1ccc(o1)C 7a_100011232665_100103147603 [0,1,0,0,0,0|1,0,2]=4 1725 B13R1.27 CC=CCNCCc1ccc(o1)C 2230a_100000739271_100000070051 [0,1,0,0,0,0|1,0,2]=4 1726 B13R1.27 CC=CCNCCc1ccc(o1)C 34a_100000739271_100000070051 [0,1,0,0,0,0|1,0,2]=4 1727 B13R1.27 CC=CCOCCc1ccc(o1)C 34a_100012161071_100000070051 [0,1,0,0,0,0|1,0,2]=4 1728 B13R1.27 CC=CCOCCc1ccc(o1)C 7a_100012161071_100000070051 [0,1,0,0,0,0|1,0,2]=4 1729 B13R1.27 CCC#CCNCc1ccc(o1)Br 34a_100000708654_100009813939 [0,1,0,0,0,0|1,0,2]=4 1730 B13R1.27 CCC#CCNCc1ccc(o1)C 34a_100011194323_100009813939 [0,1,0,0,0,0|1,0,2]=4 1731 B13R1.27 CCC#CCOCc1ccc(o1)Br 34a_100000246276_100009813939 [0,1,0,0,0,0|1,0,2]=4 1732 B13R1.27 CCC#CCOCc1ccc(o1)Br 7a_100000246276_100009813939 [0,1,0,0,0,0|1,0,2]=4 1733 B13R1.27 CCC#CCOCc1ccc(o1)C 34a_100011232665_100009813939 [0,1,0,0,0,0|1,0,2]=4 1734 B13R1.27 CCC#CCOCc1ccc(o1)C 7a_100011232665_100009813939 [0,1,0,0,0,0|1,0,2]=4 1735 B13R1.27 CCCCCC=Cc1cc(cs1)C 271570a_100000062253_100009876951 [0,1,0,0,0,0|0,1,2]=4 1736 B13R1.27 CCCCCC=Cc1ccc(s1)Br 271570a_100000062253_100010197418 [0,1,0,0,0,0|0,1,2]=4 1737 B13R1.27 CCCCCC=Cc1ccc(s1)C 271570a_100000062253_100000761539 [0,1,0,0,0,0|0,1,2]=4 1738 B13R1.27 CCCCCCCc1cn(nn1)C 274090a_200000210301_100000032448 [0,1,0,0,0,0|3,0,0]=4 1739 B13R1.27 CCCCCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000032448 [0,1,0,0,0,0|3,0,0]=4 1740 B13R1.27 CCCCCCCc1nc(no1)C 270196a_100000212224_100000211969 [0,1,0,0,0,0|2,0,0]=3 1741 B13R1.27 CCCCCCCc1noc(n1)C 270196a_200011216759_100000070787 [0,1,0,0,0,0|3,0,0]=4 1742 B13R1.27 CCCCCCCc1noc(n1)O 270196a_200011216759_100015183105 [0,1,0,0,0,0|3,0,0]=4 1743 B13R1.27 CCCCCCCn1cc(nn1)C 274090a_100000210614_200000242740 [0,1,0,0,0,0|3,0,0]=4 1744 B13R1.27 CCCCCCNc1nnc(o1)C 27a_100000210581_100000708914 [0,1,0,0,0,0|3,0,0]=4 1745 B13R1.27 CCCCCCOc1ccn(n1)C 34a_100012642153_100000210314 [0,1,0,0,0,0|3,0,0]=4 1746 B13R1.27 CCCCCCSc1c[nH]c(n1)C 62a_100000210314_100009814057 [0,1,0,0,0,0|3,0,0]=4 1747 B13R1.27 CCCCCCSc1c[nH]c(n1)C 62a_100009814057_100000210757 [0,1,0,0,0,0|3,0,0]=4 1748 B13R1.27 CCCCCCSc1cc([nH]n1)C 62a_100000210314_100009819999 [0,1,0,0,0,0|3,0,0]=4 1749 B13R1.27 CCCCCCSc1cc([nH]n1)C 62a_100009819999_100000210757 [0,1,0,0,0,0|3,0,0]=4 1750 B13R1.27 CCCCCCSc1cc([nH]n1)N 62a_100000210314_100009822546 [0,1,0,0,0,0|3,0,0]=4 1751 B13R1.27 CCCCCCSc1cc([nH]n1)N 62a_100009822546_100000210757 [0,1,0,0,0,0|3,0,0]=4 1752 B13R1.27 CCCCCCSc1cc(cs1)C 62a_100000210314_100009876951 [0,1,0,0,0,0|1,1,0]=3 1753 B13R1.27 CCCCCCSc1cc(cs1)C 62a_100009876951_100000210757 [0,1,0,0,0,0|1,1,0]=3 1754 B13R1.27 CCCCCCSc1cc(n[nH]1)Br 62a_100000210314_100160470719 [0,1,0,0,0,0|3,0,0]=4 1755 B13R1.27 CCCCCCSc1cc(n[nH]1)Br 62a_100160470719_100000210757 [0,1,0,0,0,0|3,0,0]=4 1756 B13R1.27 CCCCCCSc1cc(ns1)C 62a_100000210314_100009815735 [0,1,0,0,0,0|2,1,0]=4 1757 B13R1.27 CCCCCCSc1cc(ns1)C 62a_100009815735_100000210757 [0,1,0,0,0,0|2,1,0]=4 1758 B13R1.27 CCCCCCSc1cc(on1)C 62a_100000210314_100000716708 [0,1,0,0,0,0|3,0,0]=4 1759 B13R1.27 CCCCCCSc1cc(on1)C 62a_100000716708_100000210757 [0,1,0,0,0,0|3,0,0]=4 1760 B13R1.27 CCCCCCSc1ccc(s1)Br 62a_100000210314_100010197418 [0,1,0,0,0,0|1,1,0]=3 1761 B13R1.27 CCCCCCSc1ccc(s1)Br 62a_100010197418_100000210757 [0,1,0,0,0,0|1,1,0]=3 1762 B13R1.27 CCCCCCSc1ccc(s1)C 62a_100000031368_100000210757 [0,1,0,0,0,0|1,1,0]=3 1763 B13R1.27 CCCCCCSc1ccc(s1)C 62a_100000210314_100000031368 [0,1,0,0,0,0|1,1,0]=3 1764 B13R1.27 CCCCCCSc1ccn(n1)C 62a_100000210314_100000752436 [0,1,0,0,0,0|3,0,0]=4 1765 B13R1.27 CCCCCCSc1ccn(n1)C 62a_100000752436_100000210757 [0,1,0,0,0,0|3,0,0]=4 1766 B13R1.27 CCCCCCSc1cn(cn1)C 62a_100000040308_100000210757 [0,1,0,0,0,0|3,0,0]=4 1767 B13R1.27 CCCCCCSc1cn(cn1)C 62a_100000210314_100000040308 [0,1,0,0,0,0|3,0,0]=4 1768 B13R1.27 CCCCCCSc1cnc(s1)Br 62a_100000210314_100012357534 [0,1,0,0,0,0|2,1,0]=4 1769 B13R1.27 CCCCCCSc1cnc(s1)Br 62a_100012357534_100000210757 [0,1,0,0,0,0|2,1,0]=4 1770 B13R1.27 CCCCCCSc1cnc(s1)C 62a_100000210314_100000764884 [0,1,0,0,0,0|2,1,0]=4 1771 B13R1.27 CCCCCCSc1cnc(s1)C 62a_100000764884_100000210757 [0,1,0,0,0,0|2,1,0]=4 1772 B13R1.27 CCCCCCSc1cnc(s1)N 62a_100000210314_100000718969 [0,1,0,0,0,0|2,1,0]=4 1773 B13R1.27 CCCCCCSc1cnc(s1)N 62a_100000718969_100000210757 [0,1,0,0,0,0|2,1,0]=4 1774 B13R1.27 CCCCCCSc1csc(c1)C 62a_100000210314_100000759034 [0,1,0,0,0,0|3,0,0]=4 1775 B13R1.27 CCCCCCSc1csc(c1)C 62a_100000759034_100000210757 [0,1,0,0,0,0|3,0,0]=4 1776 B13R1.27 CCCCCCSc1csc(n1)C 62a_100000210314_100011934587 [0,1,0,0,0,0|3,0,0]=4 1777 B13R1.27 CCCCCCSc1csc(n1)C 62a_100011934587_100000210757 [0,1,0,0,0,0|3,0,0]=4 1778 B13R1.27 CCCCCCSc1csc(n1)N 62a_100000210314_100011998049 [0,1,0,0,0,0|3,0,0]=4 1779 B13R1.27 CCCCCCSc1csc(n1)N 62a_100011998049_100000210757 [0,1,0,0,0,0|3,0,0]=4 1780 B13R1.27 CCCCCCSc1nc(c[nH]1)C 62a_100000210314_100161115468 [0,1,0,0,0,0|3,0,0]=4 1781 B13R1.27 CCCCCCSc1nc(c[nH]1)C 62a_100161115468_100000210757 [0,1,0,0,0,0|3,0,0]=4 1782 B13R1.27 CCCCCCSc1nc(cs1)Br 62a_100000210314_200016082925 [0,1,0,0,0,0|2,1,0]=4 1783 B13R1.27 CCCCCCSc1nc(cs1)Br 62a_200016082925_100000210757 [0,1,0,0,0,0|2,1,0]=4 1784 B13R1.27 CCCCCCSc1nc(cs1)C 62a_100000210314_100011291629 [0,1,0,0,0,0|2,1,0]=4 1785 B13R1.27 CCCCCCSc1nc(cs1)C 62a_100011291629_100000210757 [0,1,0,0,0,0|2,1,0]=4 1786 B13R1.27 CCCCCCSc1nc(cs1)N 62a_100000210314_200015188442 [0,1,0,0,0,0|2,1,0]=4 1787 B13R1.27 CCCCCCSc1nc(cs1)N 62a_200015188442_100000210757 [0,1,0,0,0,0|2,1,0]=4 1788 B13R1.27 CCCCCCSc1ncc(s1)C 62a_100000210314_100000690809 [0,1,0,0,0,0|2,1,0]=4 1789 B13R1.27 CCCCCCSc1ncc(s1)C 62a_100000690809_100000210757 [0,1,0,0,0,0|2,1,0]=4 1790 B13R1.27 CCCCCCSc1nnc(o1)C 62a_100000210314_100000708914 [0,1,0,0,0,0|3,0,0]=4 1791 B13R1.27 CCCCCNCc1c[nH]c(n1)C 207a_100000209983_100011219055 [0,1,0,0,0,0|3,0,0]=4 1792 B13R1.27 CCCCCNCc1cc(c[nH]1)Br 270004a_100000209983_100000720742 [0,1,0,0,0,0|2,0,0]=3 1793 B13R1.27 CCCCCNCc1cc(co1)Br 270004a_100000209983_100000747035 [0,1,0,0,0,0|1,0,0]=2 1794 B13R1.27 CCCCCNCc1cc(cs1)Br 207a_100000209983_100000211722 [0,1,0,0,0,0|1,1,0]=3 1795 B13R1.27 CCCCCNCc1cc(cs1)Br 2230a_100000209983_100000746031 [0,1,0,0,0,0|1,1,0]=3 1796 B13R1.27 CCCCCNCc1cc(cs1)Br 2230a_100000741024_100000210326 [0,1,0,0,0,0|1,1,0]=3 1797 B13R1.27 CCCCCNCc1cc(cs1)Br 270004a_100000209983_100000211722 [0,1,0,0,0,0|1,1,0]=3 1798 B13R1.27 CCCCCNCc1cc(cs1)Br 34a_100000741024_100000718602 [0,1,0,0,0,0|1,1,0]=3 1799 B13R1.27 CCCCCNCc1cc(cs1)C 207a_100000209983_100102525248 [0,1,0,0,0,0|1,1,0]=3 1800 B13R1.27 CCCCCNCc1cc(cs1)C 2230a_100015204214_100000210326 [0,1,0,0,0,0|1,1,0]=3 1801 B13R1.27 CCCCCNCc1cc(cs1)C 270004a_100000209983_100102525248 [0,1,0,0,0,0|1,1,0]=3 1802 B13R1.27 CCCCCNCc1cc(cs1)C 34a_100015204214_100000718602 [0,1,0,0,0,0|1,1,0]=3 1803 B13R1.27 CCCCCNCc1cc(cs1)Cl 207a_100000209983_100000102487 [0,1,0,0,0,0|1,1,0]=3 1804 B13R1.27 CCCCCNCc1cc(cs1)Cl 270004a_100000209983_100000102487 [0,1,0,0,0,0|1,1,0]=3 1805 B13R1.27 CCCCCNCc1cc(cs1)I 207a_100000209983_100010179861 [0,1,0,0,0,0|1,1,0]=3 1806 B13R1.27 CCCCCNCc1cc(n[nH]1)C 207a_100000209983_100000028150 [0,1,0,0,0,0|3,0,0]=4 1807 B13R1.27 CCCCCNCc1cc(n[nH]1)C 270004a_100000209983_100000028150 [0,1,0,0,0,0|3,0,0]=4 1808 B13R1.27 CCCCCNCc1cc(no1)Br 2230a_100015193020_100000210326 [0,1,0,0,0,0|2,0,0]=3 1809 B13R1.27 CCCCCNCc1cc(no1)Br 270004a_100000209983_100009819588 [0,1,0,0,0,0|2,0,0]=3 1810 B13R1.27 CCCCCNCc1cc(no1)Br 34a_100015193020_100000718602 [0,1,0,0,0,0|2,0,0]=3 1811 B13R1.27 CCCCCNCc1cc(no1)C 207a_100000209983_100011794430 [0,1,0,0,0,0|2,0,0]=3 1812 B13R1.27 CCCCCNCc1cc(no1)C 2230a_100000209983_100000707947 [0,1,0,0,0,0|2,0,0]=3 1813 B13R1.27 CCCCCNCc1cc(no1)C 2230a_100000745748_100000210326 [0,1,0,0,0,0|2,0,0]=3 1814 B13R1.27 CCCCCNCc1cc(no1)C 270004a_100000209983_100011794430 [0,1,0,0,0,0|2,0,0]=3 1815 B13R1.27 CCCCCNCc1cc(no1)C 34a_100000745748_100000718602 [0,1,0,0,0,0|2,0,0]=3 1816 B13R1.27 CCCCCNCc1cc(on1)C 207a_100000209983_100011217994 [0,1,0,0,0,0|3,0,0]=4 1817 B13R1.27 CCCCCNCc1cc(on1)C 2230a_100000209983_100000199038 [0,1,0,0,0,0|3,0,0]=4 1818 B13R1.27 CCCCCNCc1cc(on1)C 2230a_100000745230_100000210326 [0,1,0,0,0,0|3,0,0]=4 1819 B13R1.27 CCCCCNCc1cc(on1)C 270004a_100000209983_100011217994 [0,1,0,0,0,0|3,0,0]=4 1820 B13R1.27 CCCCCNCc1cc(on1)C 34a_100000745230_100000718602 [0,1,0,0,0,0|3,0,0]=4 1821 B13R1.27 CCCCCNCc1cc(sn1)C 207a_100000209983_200000100279 [0,1,0,0,0,0|3,0,0]=4 1822 B13R1.27 CCCCCNCc1cc(sn1)C 270004a_100000209983_200000100279 [0,1,0,0,0,0|3,0,0]=4 1823 B13R1.27 CCCCCNCc1ccc(o1)Br 207a_100000209983_100000185145 [0,1,0,0,0,0|1,0,0]=2 1824 B13R1.27 CCCCCNCc1ccc(o1)Br 270004a_100000209983_100000185145 [0,1,0,0,0,0|1,0,0]=2 1825 B13R1.27 CCCCCNCc1ccc(o1)Br 34a_100000708654_100000718602 [0,1,0,0,0,0|1,0,0]=2 1826 B13R1.27 CCCCCNCc1ccc(o1)C 207a_100000209983_100000183696 [0,1,0,0,0,0|1,0,0]=2 1827 B13R1.27 CCCCCNCc1ccc(o1)C 270004a_100000209983_100000183696 [0,1,0,0,0,0|1,0,0]=2 1828 B13R1.27 CCCCCNCc1ccc(o1)C 34a_100011194323_100000718602 [0,1,0,0,0,0|1,0,0]=2 1829 B13R1.27 CCCCCNCc1ccc(o1)Cl 207a_100000209983_100000188459 [0,1,0,0,0,0|1,0,0]=2 1830 B13R1.27 CCCCCNCc1ccc(o1)Cl 270004a_100000209983_100000188459 [0,1,0,0,0,0|1,0,0]=2 1831 B13R1.27 CCCCCNCc1ccc(o1)I 207a_100000209983_100000186757 [0,1,0,0,0,0|1,0,0]=2 1832 B13R1.27 CCCCCNCc1ccc(s1)Br 207a_100000209983_100000179771 [0,1,0,0,0,0|1,1,0]=3 1833 B13R1.27 CCCCCNCc1ccc(s1)Br 2230a_100000209983_100000708592 [0,1,0,0,0,0|1,1,0]=3 1834 B13R1.27 CCCCCNCc1ccc(s1)Br 270004a_100000209983_100000179771 [0,1,0,0,0,0|1,1,0]=3 1835 B13R1.27 CCCCCNCc1ccc(s1)C 207a_100000209983_100000211121 [0,1,0,0,0,0|1,1,0]=3 1836 B13R1.27 CCCCCNCc1ccc(s1)C 2230a_100000238518_100000210326 [0,1,0,0,0,0|1,1,0]=3 1837 B13R1.27 CCCCCNCc1ccc(s1)C 270004a_100000209983_100000211121 [0,1,0,0,0,0|1,1,0]=3 1838 B13R1.27 CCCCCNCc1ccc(s1)Cl 207a_100000209983_100000242774 [0,1,0,0,0,0|1,1,0]=3 1839 B13R1.27 CCCCCNCc1ccc(s1)Cl 2230a_100000209983_100000185097 [0,1,0,0,0,0|1,1,0]=3 1840 B13R1.27 CCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000210326 [0,1,0,0,0,0|1,1,0]=3 1841 B13R1.27 CCCCCNCc1ccc(s1)Cl 270004a_100000209983_100000242774 [0,1,0,0,0,0|1,1,0]=3 1842 B13R1.27 CCCCCNCc1ccn(n1)C 207a_100000209983_100000750880 [0,1,0,0,0,0|3,0,0]=4 1843 B13R1.27 CCCCCNCc1ccn(n1)C 2230a_100000209983_100000726502 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.27 CCCCCNCc1ccn(n1)C 2230a_100020636201_100000210326 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.27 CCCCCNCc1ccn(n1)C 270004a_100000209983_100000750880 [0,1,0,0,0,0|3,0,0]=4 1846 B13R1.27 CCCCCNCc1ccn(n1)C 34a_100020636201_100000718602 [0,1,0,0,0,0|3,0,0]=4 1847 B13R1.27 CCCCCNCc1cn(cn1)C 207a_100000209983_100000684808 [0,1,0,0,0,0|3,0,0]=4 1848 B13R1.27 CCCCCNCc1cn(cn1)C 2230a_100000209983_100000717665 [0,1,0,0,0,0|3,0,0]=4 1849 B13R1.27 CCCCCNCc1cn(cn1)C 270004a_100000209983_100000684808 [0,1,0,0,0,0|3,0,0]=4 1850 B13R1.27 CCCCCNCc1cnc(o1)C 207a_100000209983_100000084308 [0,1,0,0,0,0|2,0,0]=3 1851 B13R1.27 CCCCCNCc1cnc(o1)C 270004a_100000209983_100000084308 [0,1,0,0,0,0|2,0,0]=3 1852 B13R1.27 CCCCCNCc1cnc(s1)Br 2230a_100000209983_100000717027 [0,1,0,0,0,0|2,1,0]=4 1853 B13R1.27 CCCCCNCc1cnc(s1)Br 2230a_100000726991_100000210326 [0,1,0,0,0,0|2,1,0]=4 1854 B13R1.27 CCCCCNCc1cnc(s1)Br 270004a_100000209983_100009814069 [0,1,0,0,0,0|2,1,0]=4 1855 B13R1.27 CCCCCNCc1cnc(s1)C 207a_100000209983_100000740557 [0,1,0,0,0,0|2,1,0]=4 1856 B13R1.27 CCCCCNCc1cnc(s1)C 2230a_100000209983_100020635045 [0,1,0,0,0,0|2,1,0]=4 1857 B13R1.27 CCCCCNCc1cnc(s1)C 2230a_200000743601_100000210326 [0,1,0,0,0,0|2,1,0]=4 1858 B13R1.27 CCCCCNCc1cnc(s1)C 270004a_100000209983_100000740557 [0,1,0,0,0,0|2,1,0]=4 1859 B13R1.27 CCCCCNCc1cnc(s1)Cl 2230a_100000209983_100000058068 [0,1,0,0,0,0|2,1,0]=4 1860 B13R1.27 CCCCCNCc1cnc(s1)Cl 2230a_100000726635_100000210326 [0,1,0,0,0,0|2,1,0]=4 1861 B13R1.27 CCCCCNCc1cnc(s1)Cl 270004a_100000209983_100000696999 [0,1,0,0,0,0|2,1,0]=4 1862 B13R1.27 CCCCCNCc1coc(n1)C 207a_100000209983_100011361629 [0,1,0,0,0,0|3,0,0]=4 1863 B13R1.27 CCCCCNCc1coc(n1)C 270004a_100000209983_100011361629 [0,1,0,0,0,0|3,0,0]=4 1864 B13R1.27 CCCCCNCc1csc(c1)Br 207a_100000209983_100000737087 [0,1,0,0,0,0|3,0,0]=4 1865 B13R1.27 CCCCCNCc1csc(c1)Br 270004a_100000209983_100000737087 [0,1,0,0,0,0|3,0,0]=4 1866 B13R1.27 CCCCCNCc1csc(c1)C 207a_100000209983_100011998532 [0,1,0,0,0,0|3,0,0]=4 1867 B13R1.27 CCCCCNCc1csc(c1)C 270004a_100000209983_100011998532 [0,1,0,0,0,0|3,0,0]=4 1868 B13R1.27 CCCCCNCc1csc(c1)Cl 207a_100000209983_100009844934 [0,1,0,0,0,0|3,0,0]=4 1869 B13R1.27 CCCCCNCc1csc(c1)Cl 270004a_100000209983_100009844934 [0,1,0,0,0,0|3,0,0]=4 1870 B13R1.27 CCCCCNCc1csc(n1)Br 270004a_100000209983_100009816748 [0,1,0,0,0,0|3,0,0]=4 1871 B13R1.27 CCCCCNCc1csc(n1)C 207a_100000209983_100000203724 [0,1,0,0,0,0|3,0,0]=4 1872 B13R1.27 CCCCCNCc1csc(n1)C 2230a_100000209983_100015186478 [0,1,0,0,0,0|3,0,0]=4 1873 B13R1.27 CCCCCNCc1csc(n1)C 270004a_100000209983_100000203724 [0,1,0,0,0,0|3,0,0]=4 1874 B13R1.27 CCCCCNCc1csc(n1)C 34a_100000707933_100000718602 [0,1,0,0,0,0|3,0,0]=4 1875 B13R1.27 CCCCCNCc1csc(n1)Cl 2230a_100000209983_100000024076 [0,1,0,0,0,0|3,0,0]=4 1876 B13R1.27 CCCCCNCc1csc(n1)Cl 270004a_100000209983_100011935135 [0,1,0,0,0,0|3,0,0]=4 1877 B13R1.27 CCCCCNCc1nc(c[nH]1)C 207a_100000209983_100000082322 [0,1,0,0,0,0|3,0,0]=4 1878 B13R1.27 CCCCCNCc1nc(c[nH]1)C 270004a_100000209983_100000082322 [0,1,0,0,0,0|3,0,0]=4 1879 B13R1.27 CCCCCNCc1nc(cs1)Br 270004a_100000209983_100009816814 [0,1,0,0,0,0|2,1,0]=4 1880 B13R1.27 CCCCCNCc1nc(cs1)C 207a_100000209983_100000756994 [0,1,0,0,0,0|2,1,0]=4 1881 B13R1.27 CCCCCNCc1nc(cs1)C 2230a_100015183719_100000210326 [0,1,0,0,0,0|2,1,0]=4 1882 B13R1.27 CCCCCNCc1nc(cs1)C 270004a_100000209983_100000756994 [0,1,0,0,0,0|2,1,0]=4 1883 B13R1.27 CCCCCNCc1nc(no1)C 2230a_100000209983_100000735555 [0,1,0,0,0,0|3,0,0]=4 1884 B13R1.27 CCCCCNCc1ncc(o1)C 2230a_100138411809_100000210326 [0,1,0,0,0,0|2,0,0]=3 1885 B13R1.27 CCCCCNCc1ncc(o1)C 34a_100138411809_100000718602 [0,1,0,0,0,0|2,0,0]=3 1886 B13R1.27 CCCCCNCc1ncc(s1)Br 270004a_100000209983_100000699580 [0,1,0,0,0,0|2,1,0]=4 1887 B13R1.27 CCCCCNCc1ncc(s1)C 207a_100000209983_100011361622 [0,1,0,0,0,0|2,1,0]=4 1888 B13R1.27 CCCCCNCc1ncc(s1)C 270004a_100000209983_100011361622 [0,1,0,0,0,0|2,1,0]=4 1889 B13R1.27 CCCCCNCc1ncc(s1)Cl 270004a_100000209983_100000699884 [0,1,0,0,0,0|2,1,0]=4 1890 B13R1.27 CCCCCNCc1nnc(o1)C 2230a_100000209983_100000181450 [0,1,0,0,0,0|3,0,0]=4 1891 B13R1.27 CCCCCNCc1nnc(o1)C 2230a_200000236979_100000210326 [0,1,0,0,0,0|3,0,0]=4 1892 B13R1.27 CCCCCNCc1nnc(o1)C 34a_200000236979_100000718602 [0,1,0,0,0,0|3,0,0]=4 1893 B13R1.27 CCCCCOCC1=CC(=O)OC1 34a_100000210253_100000716558 [0,1,0,0,0,0|3,0,0]=4 1894 B13R1.27 CCCCCOCc1cc(cs1)Br 34a_100000210253_100000746031 [0,1,0,0,0,0|1,1,0]=3 1895 B13R1.27 CCCCCOCc1cc(cs1)Br 34a_100000238369_100000718602 [0,1,0,0,0,0|1,1,0]=3 1896 B13R1.27 CCCCCOCc1cc(cs1)Br 7a_100000210253_100000746031 [0,1,0,0,0,0|1,1,0]=3 1897 B13R1.27 CCCCCOCc1cc(cs1)Br 7a_100000238369_100000210326 [0,1,0,0,0,0|1,1,0]=3 1898 B13R1.27 CCCCCOCc1cc(cs1)C 34a_200000068372_100000718602 [0,1,0,0,0,0|1,1,0]=3 1899 B13R1.27 CCCCCOCc1cc(cs1)C 7a_200000068372_100000210326 [0,1,0,0,0,0|1,1,0]=3 1900 B13R1.27 CCCCCOCc1cc(no1)Br 34a_100009816691_100000718602 [0,1,0,0,0,0|2,0,0]=3 1901 B13R1.27 CCCCCOCc1cc(no1)Br 7a_100000210253_100000709089 [0,1,0,0,0,0|2,0,0]=3 1902 B13R1.27 CCCCCOCc1cc(no1)C 34a_100000210253_100000707947 [0,1,0,0,0,0|2,0,0]=3 1903 B13R1.27 CCCCCOCc1cc(no1)C 34a_100000684692_100000718602 [0,1,0,0,0,0|2,0,0]=3 1904 B13R1.27 CCCCCOCc1cc(no1)C 7a_100000210253_100000707947 [0,1,0,0,0,0|2,0,0]=3 1905 B13R1.27 CCCCCOCc1cc(on1)C 34a_100000210253_100000199038 [0,1,0,0,0,0|3,0,0]=4 1906 B13R1.27 CCCCCOCc1cc(on1)C 34a_100011216401_100000718602 [0,1,0,0,0,0|3,0,0]=4 1907 B13R1.27 CCCCCOCc1cc(on1)C 7a_100000210253_100000199038 [0,1,0,0,0,0|3,0,0]=4 1908 B13R1.27 CCCCCOCc1ccc(o1)Br 34a_100000246276_100000718602 [0,1,0,0,0,0|1,0,0]=2 1909 B13R1.27 CCCCCOCc1ccc(o1)Br 7a_100000246276_100000210326 [0,1,0,0,0,0|1,0,0]=2 1910 B13R1.27 CCCCCOCc1ccc(o1)C 34a_100011232665_100000718602 [0,1,0,0,0,0|1,0,0]=2 1911 B13R1.27 CCCCCOCc1ccc(o1)C 7a_100011232665_100000210326 [0,1,0,0,0,0|1,0,0]=2 1912 B13R1.27 CCCCCOCc1ccc(s1)Br 34a_100000210253_100000708592 [0,1,0,0,0,0|1,1,0]=3 1913 B13R1.27 CCCCCOCc1ccc(s1)Br 7a_100000210253_100000708592 [0,1,0,0,0,0|1,1,0]=3 1914 B13R1.27 CCCCCOCc1ccc(s1)C 34a_100000238367_100000718602 [0,1,0,0,0,0|1,1,0]=3 1915 B13R1.27 CCCCCOCc1ccc(s1)Cl 34a_100000210253_100000185097 [0,1,0,0,0,0|1,1,0]=3 1916 B13R1.27 CCCCCOCc1ccc(s1)Cl 7a_100000210253_100000185097 [0,1,0,0,0,0|1,1,0]=3 1917 B13R1.27 CCCCCOCc1ccn(n1)C 34a_100000210253_100000726502 [0,1,0,0,0,0|3,0,0]=4 1918 B13R1.27 CCCCCOCc1ccn(n1)C 34a_100000744484_100000718602 [0,1,0,0,0,0|3,0,0]=4 1919 B13R1.27 CCCCCOCc1ccn(n1)C 7a_100000210253_100000726502 [0,1,0,0,0,0|3,0,0]=4 1920 B13R1.27 CCCCCOCc1cn(cn1)C 34a_100000210253_100000717665 [0,1,0,0,0,0|3,0,0]=4 1921 B13R1.27 CCCCCOCc1cn(cn1)C 34a_100000710007_100000718602 [0,1,0,0,0,0|3,0,0]=4 1922 B13R1.27 CCCCCOCc1cn(cn1)C 7a_100000210253_100000717665 [0,1,0,0,0,0|3,0,0]=4 1923 B13R1.27 CCCCCOCc1cnc(s1)Br 34a_100000210253_100000717027 [0,1,0,0,0,0|2,1,0]=4 1924 B13R1.27 CCCCCOCc1cnc(s1)Br 7a_100000210253_100000717027 [0,1,0,0,0,0|2,1,0]=4 1925 B13R1.27 CCCCCOCc1cnc(s1)Br 7a_100009816753_100000210326 [0,1,0,0,0,0|2,1,0]=4 1926 B13R1.27 CCCCCOCc1cnc(s1)C 34a_100000210253_100020635045 [0,1,0,0,0,0|2,1,0]=4 1927 B13R1.27 CCCCCOCc1cnc(s1)C 7a_100000210253_100020635045 [0,1,0,0,0,0|2,1,0]=4 1928 B13R1.27 CCCCCOCc1cnc(s1)C 7a_100000743366_100000210326 [0,1,0,0,0,0|2,1,0]=4 1929 B13R1.27 CCCCCOCc1cnc(s1)Cl 34a_100000210253_100000058068 [0,1,0,0,0,0|2,1,0]=4 1930 B13R1.27 CCCCCOCc1cnc(s1)Cl 7a_100000210253_100000058068 [0,1,0,0,0,0|2,1,0]=4 1931 B13R1.27 CCCCCOCc1cnc(s1)Cl 7a_100000697714_100000210326 [0,1,0,0,0,0|2,1,0]=4 1932 B13R1.27 CCCCCOCc1cnc(s1)N 7a_100011997359_100000210326 [0,1,0,0,0,0|2,1,0]=4 1933 B13R1.27 CCCCCOCc1coc(n1)C 34a_100012017233_100000718602 [0,1,0,0,0,0|3,0,0]=4 1934 B13R1.27 CCCCCOCc1csc(c1)Cl 34a_100009863405_100000718602 [0,1,0,0,0,0|3,0,0]=4 1935 B13R1.27 CCCCCOCc1csc(c1)Cl 7a_100009863405_100000210326 [0,1,0,0,0,0|3,0,0]=4 1936 B13R1.27 CCCCCOCc1csc(n1)C 34a_100000210253_100015186478 [0,1,0,0,0,0|3,0,0]=4 1937 B13R1.27 CCCCCOCc1csc(n1)C 34a_100000735831_100000718602 [0,1,0,0,0,0|3,0,0]=4 1938 B13R1.27 CCCCCOCc1csc(n1)C 7a_100000210253_100015186478 [0,1,0,0,0,0|3,0,0]=4 1939 B13R1.27 CCCCCOCc1csc(n1)Cl 34a_100000210253_100000024076 [0,1,0,0,0,0|3,0,0]=4 1940 B13R1.27 CCCCCOCc1csc(n1)Cl 7a_100000210253_100000024076 [0,1,0,0,0,0|3,0,0]=4 1941 B13R1.27 CCCCCOCc1nc(cs1)Br 7a_100012000107_100000210326 [0,1,0,0,0,0|2,1,0]=4 1942 B13R1.27 CCCCCOCc1nc(no1)C 34a_100000210253_100000735555 [0,1,0,0,0,0|3,0,0]=4 1943 B13R1.27 CCCCCOCc1nc(no1)C 34a_100000749583_100000718602 [0,1,0,0,0,0|3,0,0]=4 1944 B13R1.27 CCCCCOCc1nc(no1)C 7a_100000210253_100000735555 [0,1,0,0,0,0|3,0,0]=4 1945 B13R1.27 CCCCCOCc1nnc(o1)C 34a_100000749586_100000718602 [0,1,0,0,0,0|3,0,0]=4 1946 B13R1.27 CCCCCOCc1nnc(o1)C 7a_100000210253_100000181450 [0,1,0,0,0,0|3,0,0]=4 1947 B13R1.27 CCCCCOCn1cc(cn1)Cl 34a_100000732729_100000718602 [0,1,0,0,0,0|3,0,0]=4 1948 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000210326_100000716558 [0,1,0,0,0,0|3,0,0]=4 1949 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210326 [0,1,0,0,0,0|3,0,0]=4 1950 B13R1.27 CCCCCSCc1cc(cs1)Br 62a_100000210326_100000746031 [0,1,0,0,0,0|1,1,0]=3 1951 B13R1.27 CCCCCSCc1cc(cs1)Br 62a_100000746031_100000210326 [0,1,0,0,0,0|1,1,0]=3 1952 B13R1.27 CCCCCSCc1cc(no1)Br 62a_100000210326_100000709089 [0,1,0,0,0,0|2,0,0]=3 1953 B13R1.27 CCCCCSCc1cc(no1)Br 62a_100000709089_100000210326 [0,1,0,0,0,0|2,0,0]=3 1954 B13R1.27 CCCCCSCc1cc(no1)C 62a_100000210326_100000707947 [0,1,0,0,0,0|2,0,0]=3 1955 B13R1.27 CCCCCSCc1cc(no1)C 62a_100000707947_100000210326 [0,1,0,0,0,0|2,0,0]=3 1956 B13R1.27 CCCCCSCc1cc(on1)C 62a_100000199038_100000210326 [0,1,0,0,0,0|3,0,0]=4 1957 B13R1.27 CCCCCSCc1cc(on1)C 62a_100000210326_100000199038 [0,1,0,0,0,0|3,0,0]=4 1958 B13R1.27 CCCCCSCc1ccc(s1)Br 62a_100000210326_100000708592 [0,1,0,0,0,0|1,1,0]=3 1959 B13R1.27 CCCCCSCc1ccc(s1)Br 62a_100000708592_100000210326 [0,1,0,0,0,0|1,1,0]=3 1960 B13R1.27 CCCCCSCc1ccc(s1)Cl 62a_100000185097_100000210326 [0,1,0,0,0,0|1,1,0]=3 1961 B13R1.27 CCCCCSCc1ccc(s1)Cl 62a_100000210326_100000185097 [0,1,0,0,0,0|1,1,0]=3 1962 B13R1.27 CCCCCSCc1ccn(n1)C 62a_100000210326_100000726502 [0,1,0,0,0,0|3,0,0]=4 1963 B13R1.27 CCCCCSCc1ccn(n1)C 62a_100000726502_100000210326 [0,1,0,0,0,0|3,0,0]=4 1964 B13R1.27 CCCCCSCc1cn(cn1)C 62a_100000210326_100000717665 [0,1,0,0,0,0|3,0,0]=4 1965 B13R1.27 CCCCCSCc1cn(cn1)C 62a_100000717665_100000210326 [0,1,0,0,0,0|3,0,0]=4 1966 B13R1.27 CCCCCSCc1cnc(s1)Br 62a_100000210326_100000717027 [0,1,0,0,0,0|2,1,0]=4 1967 B13R1.27 CCCCCSCc1cnc(s1)Br 62a_100000717027_100000210326 [0,1,0,0,0,0|2,1,0]=4 1968 B13R1.27 CCCCCSCc1cnc(s1)C 62a_100000210326_100020635045 [0,1,0,0,0,0|2,1,0]=4 1969 B13R1.27 CCCCCSCc1cnc(s1)C 62a_100020635045_100000210326 [0,1,0,0,0,0|2,1,0]=4 1970 B13R1.27 CCCCCSCc1cnc(s1)Cl 62a_100000058068_100000210326 [0,1,0,0,0,0|2,1,0]=4 1971 B13R1.27 CCCCCSCc1cnc(s1)Cl 62a_100000210326_100000058068 [0,1,0,0,0,0|2,1,0]=4 1972 B13R1.27 CCCCCSCc1csc(n1)C 62a_100000210326_100015186478 [0,1,0,0,0,0|3,0,0]=4 1973 B13R1.27 CCCCCSCc1csc(n1)C 62a_100015186478_100000210326 [0,1,0,0,0,0|3,0,0]=4 1974 B13R1.27 CCCCCSCc1csc(n1)Cl 62a_100000024076_100000210326 [0,1,0,0,0,0|3,0,0]=4 1975 B13R1.27 CCCCCSCc1csc(n1)Cl 62a_100000210326_100000024076 [0,1,0,0,0,0|3,0,0]=4 1976 B13R1.27 CCCCCSCc1nc(no1)C 62a_100000210326_100000735555 [0,1,0,0,0,0|3,0,0]=4 1977 B13R1.27 CCCCCSCc1nc(no1)C 62a_100000735555_100000210326 [0,1,0,0,0,0|3,0,0]=4 1978 B13R1.27 CCCCCSCc1nnc(o1)C 62a_100000181450_100000210326 [0,1,0,0,0,0|3,0,0]=4 1979 B13R1.27 CCCCCSCc1nnc(o1)C 62a_100000210326_100000181450 [0,1,0,0,0,0|3,0,0]=4 1980 B13R1.27 CCCCNCCc1ccc(o1)C 2230a_100000739271_100000210211 [0,1,0,0,0,0|1,0,0]=2 1981 B13R1.27 CCCCNCCc1ccc(o1)C 34a_100000739271_100000210210 [0,1,0,0,0,0|1,0,0]=2 1982 B13R1.27 CCCCNCCc1ccc(s1)Br 2230a_100000217605_100000210211 [0,1,0,0,0,0|1,1,0]=3 1983 B13R1.27 CCCCNCCc1csc(n1)C 2230a_100000102301_100000695623 [0,1,0,0,0,0|3,0,0]=4 1984 B13R1.27 CCCCNCCc1csc(n1)C 2230a_102495365028_100000210211 [0,1,0,0,0,0|3,0,0]=4 1985 B13R1.27 CCCCNCCc1csc(n1)C 34a_102495365028_100000210210 [0,1,0,0,0,0|3,0,0]=4 1986 B13R1.27 CCCCNCCc1csc(n1)C 7a_106832991798_100000695623 [0,1,0,0,0,0|3,0,0]=4 1987 B13R1.27 CCCCNCCc1nc(cs1)C 2230a_100000736835_100000210211 [0,1,0,0,0,0|2,1,0]=4 1988 B13R1.27 CCCCNCCc1nc(no1)C 34a_100000747544_100000210210 [0,1,0,0,0,0|3,0,0]=4 1989 B13R1.27 CCCCNCCn1cc(cn1)Br 2230a_100000730845_100000210211 [0,1,0,0,0,0|3,0,0]=4 1990 B13R1.27 CCCCNCCn1cc(cn1)Br 34a_100000730845_100000210210 [0,1,0,0,0,0|3,0,0]=4 1991 B13R1.27 CCCCNCCn1cc(cn1)Cl 2230a_100000102301_100011353933 [0,1,0,0,0,0|3,0,0]=4 1992 B13R1.27 CCCCNCCn1cc(cn1)Cl 34a_200000238484_100000210210 [0,1,0,0,0,0|3,0,0]=4 1993 B13R1.27 CCCCNCCn1cc(cn1)Cl 7a_106832991798_100011353933 [0,1,0,0,0,0|3,0,0]=4 1994 B13R1.27 CCCCNCCn1ccc(n1)C 2230a_100000102301_200011934056 [0,1,0,0,0,0|3,0,0]=4 1995 B13R1.27 CCCCNCCn1ccc(n1)C 7a_106832991798_200011934056 [0,1,0,0,0,0|3,0,0]=4 1996 B13R1.27 CCCCNN=Cc1cc(co1)Br 4a_100025702795_100000747035 [0,1,0,0,0,0|2,0,1]=4 1997 B13R1.27 CCCCNN=Cc1ccc(o1)Br 4a_100025702795_100000185145 [0,1,0,0,0,0|2,0,1]=4 1998 B13R1.27 CCCCNN=Cc1ccc(o1)C 4a_100025702795_100000183696 [0,1,0,0,0,0|2,0,1]=4 1999 B13R1.27 CCCCNN=Cc1ccc(o1)Cl 4a_100025702795_100000188459 [0,1,0,0,0,0|2,0,1]=4 2000 B13R1.27 CCCCNN=Cc1ccc(o1)I 4a_100025702795_100000186757 [0,1,0,0,0,0|2,0,1]=4 2001 B13R1.27 CCCCOCCc1cc(no1)Br 34a_100009816916_100000210210 [0,1,0,0,0,0|2,0,0]=3 2002 B13R1.27 CCCCOCCc1ccc(o1)C 34a_100012161071_100000210210 [0,1,0,0,0,0|1,0,0]=2 2003 B13R1.27 CCCCOCCc1ccc(o1)C 7a_100012161071_100000210211 [0,1,0,0,0,0|1,0,0]=2 2004 B13R1.27 CCCCOCCc1cnc(s1)N 7a_100000124125_100000210211 [0,1,0,0,0,0|2,1,0]=4 2005 B13R1.27 CCCCOCCc1csc(n1)C 34a_100000210227_100000695623 [0,1,0,0,0,0|3,0,0]=4 2006 B13R1.27 CCCCOCCc1csc(n1)C 34a_100011934828_100000210210 [0,1,0,0,0,0|3,0,0]=4 2007 B13R1.27 CCCCOCCc1csc(n1)C 7a_100000210227_100000695623 [0,1,0,0,0,0|3,0,0]=4 2008 B13R1.27 CCCCOCCn1cc(cn1)Br 34a_100011236722_100000210210 [0,1,0,0,0,0|3,0,0]=4 2009 B13R1.27 CCCCOCCn1cc(cn1)C 34a_100011363705_100000210210 [0,1,0,0,0,0|3,0,0]=4 2010 B13R1.27 CCCCOCCn1cc(cn1)Cl 34a_100011398116_100000210210 [0,1,0,0,0,0|3,0,0]=4 2011 B13R1.27 CCCCOCCn1cc(cn1)Cl 7a_100000210227_100011353933 [0,1,0,0,0,0|3,0,0]=4 2012 B13R1.27 CCCCOCCn1cc(cn1)I 34a_100012072722_100000210210 [0,1,0,0,0,0|3,0,0]=4 2013 B13R1.27 CCCCOCCn1cc(cn1)N 34a_100000743930_100000210210 [0,1,0,0,0,0|3,0,0]=4 2014 B13R1.27 CCCCOCCn1ccc(n1)Br 34a_200010732121_100000210210 [0,1,0,0,0,0|3,0,0]=4 2015 B13R1.27 CCCCOCCn1ccc(n1)C 7a_100000210227_200011934056 [0,1,0,0,0,0|3,0,0]=4 2016 B13R1.27 CCCCOCCn1ccc(n1)N 34a_100000752724_100000210210 [0,1,0,0,0,0|3,0,0]=4 2017 B13R1.27 CCCCOCSc1cc(cs1)C 62a_100009876951_100011995733 [0,1,0,0,0,0|2,1,0]=4 2018 B13R1.27 CCCCOCSc1cc(cs1)C 62a_100011995733_100009876951 [0,1,0,0,0,0|2,1,0]=4 2019 B13R1.27 CCCCOCSc1ccc(s1)Br 62a_100010197418_100011995733 [0,1,0,0,0,0|2,1,0]=4 2020 B13R1.27 CCCCOCSc1ccc(s1)Br 62a_100011995733_100010197418 [0,1,0,0,0,0|2,1,0]=4 2021 B13R1.27 CCCCOCSc1ccc(s1)C 62a_100000031368_100011995733 [0,1,0,0,0,0|2,1,0]=4 2022 B13R1.27 CCCCOCSc1ccc(s1)C 62a_100011995733_100000031368 [0,1,0,0,0,0|2,1,0]=4 2023 B13R1.27 CCCCSCCc1csc(n1)C 62a_100000210211_100000695623 [0,1,0,0,0,0|3,0,0]=4 2024 B13R1.27 CCCCSCCc1csc(n1)C 62a_100000695623_100000210210 [0,1,0,0,0,0|3,0,0]=4 2025 B13R1.27 CCCCSCCn1cc(cn1)Cl 62a_100000210211_100011353933 [0,1,0,0,0,0|3,0,0]=4 2026 B13R1.27 CCCCSCCn1cc(cn1)Cl 62a_100011353933_100000210210 [0,1,0,0,0,0|3,0,0]=4 2027 B13R1.27 CCCCSCCn1ccc(n1)C 62a_100000210211_200011934056 [0,1,0,0,0,0|3,0,0]=4 2028 B13R1.27 CCCCSCCn1ccc(n1)C 62a_200011934056_100000210210 [0,1,0,0,0,0|3,0,0]=4 2029 B13R1.27 CCCNCCCc1nc(cs1)C 2230a_100000749783_100000210303 [0,1,0,0,0,0|2,1,0]=4 2030 B13R1.27 CCCNCCCc1nc(no1)C 34a_100000750606_100000210303 [0,1,0,0,0,0|3,0,0]=4 2031 B13R1.27 CCCNCCCn1cc(cn1)C 2230a_100000748464_100000210303 [0,1,0,0,0,0|3,0,0]=4 2032 B13R1.27 CCCNCCCn1cc(cn1)C 34a_100000748464_100000210303 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.27 CCCNCCCn1cc(cn1)Cl 34a_100011353932_100000210303 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.27 CCCOCCCn1cc(cn1)Br 34a_100011398341_100000210303 [0,1,0,0,0,0|3,0,0]=4 2035 B13R1.27 CCCOCCSc1cc(cs1)C 62a_100009876951_100011215938 [0,1,0,0,0,0|2,1,0]=4 2036 B13R1.27 CCCOCCSc1cc(cs1)C 62a_100011215938_100009876951 [0,1,0,0,0,0|2,1,0]=4 2037 B13R1.27 CCCOCCSc1ccc(s1)Br 62a_100010197418_100011215938 [0,1,0,0,0,0|2,1,0]=4 2038 B13R1.27 CCCOCCSc1ccc(s1)Br 62a_100011215938_100010197418 [0,1,0,0,0,0|2,1,0]=4 2039 B13R1.27 CCCOCCSc1ccc(s1)C 62a_100000031368_100011215938 [0,1,0,0,0,0|2,1,0]=4 2040 B13R1.27 CCCOCCSc1ccc(s1)C 62a_100011215938_100000031368 [0,1,0,0,0,0|2,1,0]=4 2041 B13R1.27 CCCSCCCn1cc(cn1)C 62a_100000210303_200015186932 [0,1,0,0,0,0|3,0,0]=4 2042 B13R1.27 CCCSCCCn1cc(cn1)C 62a_200015186932_100000210303 [0,1,0,0,0,0|3,0,0]=4 2043 B13R1.27 CCNCCSCc1ccc(s1)Br 2230a_100000198568_100000210202 [0,1,0,0,0,0|2,1,0]=4 2044 B13R1.27 CCNCCSCc1ccc(s1)Br 7a_100000198568_100000210202 [0,1,0,0,0,0|2,1,0]=4 2045 B13R1.27 CCNN=CCCc1ccc(o1)C 4a_100000756455_100000078719 [0,1,0,0,0,0|2,0,1]=4 2046 B13R1.27 CCOCCCSc1cc(cs1)C 62a_100009876951_100012232248 [0,1,0,0,0,0|2,1,0]=4 2047 B13R1.27 CCOCCCSc1cc(cs1)C 62a_100012232248_100009876951 [0,1,0,0,0,0|2,1,0]=4 2048 B13R1.27 CCOCCCSc1ccc(s1)Br 62a_100010197418_100012232248 [0,1,0,0,0,0|2,1,0]=4 2049 B13R1.27 CCOCCCSc1ccc(s1)Br 62a_100012232248_100010197418 [0,1,0,0,0,0|2,1,0]=4 2050 B13R1.27 CCOCCCSc1ccc(s1)C 62a_100000031368_100012232248 [0,1,0,0,0,0|2,1,0]=4 2051 B13R1.27 CCOCCCSc1ccc(s1)C 62a_100012232248_100000031368 [0,1,0,0,0,0|2,1,0]=4 2052 B13R1.27 CCOCCNCc1cc(c[nH]1)Br 270004a_102516460346_100000720742 [0,1,0,0,0,0|3,0,0]=4 2053 B13R1.27 CCOCCNCc1cc(co1)Br 270004a_102516460346_100000747035 [0,1,0,0,0,0|2,0,0]=3 2054 B13R1.27 CCOCCNCc1cc(cs1)Br 207a_100011200944_100000211722 [0,1,0,0,0,0|2,1,0]=4 2055 B13R1.27 CCOCCNCc1cc(cs1)Br 2230a_100000741024_100011215890 [0,1,0,0,0,0|2,1,0]=4 2056 B13R1.27 CCOCCNCc1cc(cs1)Br 2230a_102516460346_100000746031 [0,1,0,0,0,0|2,1,0]=4 2057 B13R1.27 CCOCCNCc1cc(cs1)Br 270004a_102516460346_100000211722 [0,1,0,0,0,0|2,1,0]=4 2058 B13R1.27 CCOCCNCc1cc(cs1)Br 34a_100000741024_100000210147 [0,1,0,0,0,0|2,1,0]=4 2059 B13R1.27 CCOCCNCc1cc(cs1)Br 34a_102516460346_100000746031 [0,1,0,0,0,0|2,1,0]=4 2060 B13R1.27 CCOCCNCc1cc(cs1)C 207a_100011200944_100102525248 [0,1,0,0,0,0|2,1,0]=4 2061 B13R1.27 CCOCCNCc1cc(cs1)C 2230a_100015204214_100011215890 [0,1,0,0,0,0|2,1,0]=4 2062 B13R1.27 CCOCCNCc1cc(cs1)C 270004a_102516460346_100102525248 [0,1,0,0,0,0|2,1,0]=4 2063 B13R1.27 CCOCCNCc1cc(cs1)C 34a_100015204214_100000210147 [0,1,0,0,0,0|2,1,0]=4 2064 B13R1.27 CCOCCNCc1cc(cs1)Cl 207a_100011200944_100000102487 [0,1,0,0,0,0|2,1,0]=4 2065 B13R1.27 CCOCCNCc1cc(cs1)Cl 270004a_102516460346_100000102487 [0,1,0,0,0,0|2,1,0]=4 2066 B13R1.27 CCOCCNCc1cc(cs1)I 207a_100011200944_100010179861 [0,1,0,0,0,0|2,1,0]=4 2067 B13R1.27 CCOCCNCc1cc(no1)Br 2230a_100015193020_100011215890 [0,1,0,0,0,0|3,0,0]=4 2068 B13R1.27 CCOCCNCc1cc(no1)Br 270004a_102516460346_100009819588 [0,1,0,0,0,0|3,0,0]=4 2069 B13R1.27 CCOCCNCc1cc(no1)Br 34a_100015193020_100000210147 [0,1,0,0,0,0|3,0,0]=4 2070 B13R1.27 CCOCCNCc1cc(no1)C 207a_100011200944_100011794430 [0,1,0,0,0,0|3,0,0]=4 2071 B13R1.27 CCOCCNCc1cc(no1)C 2230a_100000745748_100011215890 [0,1,0,0,0,0|3,0,0]=4 2072 B13R1.27 CCOCCNCc1cc(no1)C 2230a_102516460346_100000707947 [0,1,0,0,0,0|3,0,0]=4 2073 B13R1.27 CCOCCNCc1cc(no1)C 270004a_102516460346_100011794430 [0,1,0,0,0,0|3,0,0]=4 2074 B13R1.27 CCOCCNCc1cc(no1)C 34a_100000745748_100000210147 [0,1,0,0,0,0|3,0,0]=4 2075 B13R1.27 CCOCCNCc1cc(no1)C 34a_102516460346_100000707947 [0,1,0,0,0,0|3,0,0]=4 2076 B13R1.27 CCOCCNCc1ccc(o1)Br 207a_100011200944_100000185145 [0,1,0,0,0,0|2,0,0]=3 2077 B13R1.27 CCOCCNCc1ccc(o1)Br 270004a_102516460346_100000185145 [0,1,0,0,0,0|2,0,0]=3 2078 B13R1.27 CCOCCNCc1ccc(o1)Br 34a_100000708654_100000210147 [0,1,0,0,0,0|2,0,0]=3 2079 B13R1.27 CCOCCNCc1ccc(o1)C 207a_100011200944_100000183696 [0,1,0,0,0,0|2,0,0]=3 2080 B13R1.27 CCOCCNCc1ccc(o1)C 270004a_102516460346_100000183696 [0,1,0,0,0,0|2,0,0]=3 2081 B13R1.27 CCOCCNCc1ccc(o1)C 34a_100011194323_100000210147 [0,1,0,0,0,0|2,0,0]=3 2082 B13R1.27 CCOCCNCc1ccc(o1)Cl 207a_100011200944_100000188459 [0,1,0,0,0,0|2,0,0]=3 2083 B13R1.27 CCOCCNCc1ccc(o1)Cl 270004a_102516460346_100000188459 [0,1,0,0,0,0|2,0,0]=3 2084 B13R1.27 CCOCCNCc1ccc(o1)I 207a_100011200944_100000186757 [0,1,0,0,0,0|2,0,0]=3 2085 B13R1.27 CCOCCNCc1ccc(s1)Br 207a_100011200944_100000179771 [0,1,0,0,0,0|2,1,0]=4 2086 B13R1.27 CCOCCNCc1ccc(s1)Br 2230a_102516460346_100000708592 [0,1,0,0,0,0|2,1,0]=4 2087 B13R1.27 CCOCCNCc1ccc(s1)Br 270004a_102516460346_100000179771 [0,1,0,0,0,0|2,1,0]=4 2088 B13R1.27 CCOCCNCc1ccc(s1)Br 34a_102516460346_100000708592 [0,1,0,0,0,0|2,1,0]=4 2089 B13R1.27 CCOCCNCc1ccc(s1)C 207a_100011200944_100000211121 [0,1,0,0,0,0|2,1,0]=4 2090 B13R1.27 CCOCCNCc1ccc(s1)C 2230a_100000238518_100011215890 [0,1,0,0,0,0|2,1,0]=4 2091 B13R1.27 CCOCCNCc1ccc(s1)C 270004a_102516460346_100000211121 [0,1,0,0,0,0|2,1,0]=4 2092 B13R1.27 CCOCCNCc1ccc(s1)Cl 207a_100011200944_100000242774 [0,1,0,0,0,0|2,1,0]=4 2093 B13R1.27 CCOCCNCc1ccc(s1)Cl 2230a_100000737310_100011215890 [0,1,0,0,0,0|2,1,0]=4 2094 B13R1.27 CCOCCNCc1ccc(s1)Cl 2230a_102516460346_100000185097 [0,1,0,0,0,0|2,1,0]=4 2095 B13R1.27 CCOCCNCc1ccc(s1)Cl 270004a_102516460346_100000242774 [0,1,0,0,0,0|2,1,0]=4 2096 B13R1.27 CCOCCNCc1ccc(s1)Cl 34a_102516460346_100000185097 [0,1,0,0,0,0|2,1,0]=4 2097 B13R1.27 CCOCCNCc1cnc(o1)C 207a_100011200944_100000084308 [0,1,0,0,0,0|3,0,0]=4 2098 B13R1.27 CCOCCNCc1cnc(o1)C 270004a_102516460346_100000084308 [0,1,0,0,0,0|3,0,0]=4 2099 B13R1.27 CCOCCNCc1ncc(o1)C 2230a_100138411809_100011215890 [0,1,0,0,0,0|3,0,0]=4 2100 B13R1.27 CCOCCNCc1ncc(o1)C 34a_100138411809_100000210147 [0,1,0,0,0,0|3,0,0]=4 2101 B13R1.27 CCOCCOCc1cc(cs1)Br 34a_100000210136_100000746031 [0,1,0,0,0,0|2,1,0]=4 2102 B13R1.27 CCOCCOCc1cc(cs1)Br 34a_100000238369_100000210147 [0,1,0,0,0,0|2,1,0]=4 2103 B13R1.27 CCOCCOCc1cc(cs1)Br 7a_100000210136_100000746031 [0,1,0,0,0,0|2,1,0]=4 2104 B13R1.27 CCOCCOCc1cc(cs1)Br 7a_100000238369_100011215890 [0,1,0,0,0,0|2,1,0]=4 2105 B13R1.27 CCOCCOCc1cc(cs1)C 34a_200000068372_100000210147 [0,1,0,0,0,0|2,1,0]=4 2106 B13R1.27 CCOCCOCc1cc(cs1)C 7a_200000068372_100011215890 [0,1,0,0,0,0|2,1,0]=4 2107 B13R1.27 CCOCCOCc1cc(no1)Br 34a_100009816691_100000210147 [0,1,0,0,0,0|3,0,0]=4 2108 B13R1.27 CCOCCOCc1cc(no1)Br 7a_100000210136_100000709089 [0,1,0,0,0,0|3,0,0]=4 2109 B13R1.27 CCOCCOCc1cc(no1)C 34a_100000210136_100000707947 [0,1,0,0,0,0|3,0,0]=4 2110 B13R1.27 CCOCCOCc1cc(no1)C 34a_100000684692_100000210147 [0,1,0,0,0,0|3,0,0]=4 2111 B13R1.27 CCOCCOCc1cc(no1)C 7a_100000210136_100000707947 [0,1,0,0,0,0|3,0,0]=4 2112 B13R1.27 CCOCCOCc1ccc(o1)Br 34a_100000246276_100000210147 [0,1,0,0,0,0|2,0,0]=3 2113 B13R1.27 CCOCCOCc1ccc(o1)Br 7a_100000246276_100011215890 [0,1,0,0,0,0|2,0,0]=3 2114 B13R1.27 CCOCCOCc1ccc(o1)C 34a_100011232665_100000210147 [0,1,0,0,0,0|2,0,0]=3 2115 B13R1.27 CCOCCOCc1ccc(o1)C 7a_100011232665_100011215890 [0,1,0,0,0,0|2,0,0]=3 2116 B13R1.27 CCOCCOCc1ccc(s1)Br 34a_100000210136_100000708592 [0,1,0,0,0,0|2,1,0]=4 2117 B13R1.27 CCOCCOCc1ccc(s1)Br 7a_100000210136_100000708592 [0,1,0,0,0,0|2,1,0]=4 2118 B13R1.27 CCOCCOCc1ccc(s1)C 34a_100000238367_100000210147 [0,1,0,0,0,0|2,1,0]=4 2119 B13R1.27 CCOCCOCc1ccc(s1)Cl 34a_100000210136_100000185097 [0,1,0,0,0,0|2,1,0]=4 2120 B13R1.27 CCOCCOCc1ccc(s1)Cl 7a_100000210136_100000185097 [0,1,0,0,0,0|2,1,0]=4 2121 B13R1.27 CCOCCSCc1cc(cs1)Br 62a_100000210147_100000746031 [0,1,0,0,0,0|2,1,0]=4 2122 B13R1.27 CCOCCSCc1cc(cs1)Br 62a_100000746031_100011215890 [0,1,0,0,0,0|2,1,0]=4 2123 B13R1.27 CCOCCSCc1cc(no1)Br 62a_100000210147_100000709089 [0,1,0,0,0,0|3,0,0]=4 2124 B13R1.27 CCOCCSCc1cc(no1)Br 62a_100000709089_100011215890 [0,1,0,0,0,0|3,0,0]=4 2125 B13R1.27 CCOCCSCc1cc(no1)C 62a_100000210147_100000707947 [0,1,0,0,0,0|3,0,0]=4 2126 B13R1.27 CCOCCSCc1cc(no1)C 62a_100000707947_100011215890 [0,1,0,0,0,0|3,0,0]=4 2127 B13R1.27 CCOCCSCc1ccc(s1)Br 62a_100000210147_100000708592 [0,1,0,0,0,0|2,1,0]=4 2128 B13R1.27 CCOCCSCc1ccc(s1)Br 62a_100000708592_100011215890 [0,1,0,0,0,0|2,1,0]=4 2129 B13R1.27 CCOCCSCc1ccc(s1)Cl 62a_100000185097_100011215890 [0,1,0,0,0,0|2,1,0]=4 2130 B13R1.27 CCOCCSCc1ccc(s1)Cl 62a_100000210147_100000185097 [0,1,0,0,0,0|2,1,0]=4 2131 B13R1.27 CCSCCNCc1cc(c[nH]1)Br 270004a_100000106463_100000720742 [0,1,0,0,0,0|3,0,0]=4 2132 B13R1.27 CCSCCNCc1cc(co1)Br 270004a_100000106463_100000747035 [0,1,0,0,0,0|2,0,0]=3 2133 B13R1.27 CCSCCNCc1cc(cs1)Br 207a_100000106463_100000211722 [0,1,0,0,0,0|2,1,0]=4 2134 B13R1.27 CCSCCNCc1cc(cs1)Br 2230a_100000106463_100000746031 [0,1,0,0,0,0|2,1,0]=4 2135 B13R1.27 CCSCCNCc1cc(cs1)Br 2230a_100000741024_100000757381 [0,1,0,0,0,0|2,1,0]=4 2136 B13R1.27 CCSCCNCc1cc(cs1)Br 270004a_100000106463_100000211722 [0,1,0,0,0,0|2,1,0]=4 2137 B13R1.27 CCSCCNCc1cc(cs1)Br 34a_100000741024_100000757381 [0,1,0,0,0,0|2,1,0]=4 2138 B13R1.27 CCSCCNCc1cc(cs1)C 207a_100000106463_100102525248 [0,1,0,0,0,0|2,1,0]=4 2139 B13R1.27 CCSCCNCc1cc(cs1)C 2230a_100015204214_100000757381 [0,1,0,0,0,0|2,1,0]=4 2140 B13R1.27 CCSCCNCc1cc(cs1)C 270004a_100000106463_100102525248 [0,1,0,0,0,0|2,1,0]=4 2141 B13R1.27 CCSCCNCc1cc(cs1)C 34a_100015204214_100000757381 [0,1,0,0,0,0|2,1,0]=4 2142 B13R1.27 CCSCCNCc1cc(cs1)Cl 207a_100000106463_100000102487 [0,1,0,0,0,0|2,1,0]=4 2143 B13R1.27 CCSCCNCc1cc(cs1)Cl 270004a_100000106463_100000102487 [0,1,0,0,0,0|2,1,0]=4 2144 B13R1.27 CCSCCNCc1cc(cs1)I 207a_100000106463_100010179861 [0,1,0,0,0,0|2,1,0]=4 2145 B13R1.27 CCSCCNCc1cc(no1)Br 2230a_100015193020_100000757381 [0,1,0,0,0,0|3,0,0]=4 2146 B13R1.27 CCSCCNCc1cc(no1)Br 270004a_100000106463_100009819588 [0,1,0,0,0,0|3,0,0]=4 2147 B13R1.27 CCSCCNCc1cc(no1)Br 34a_100015193020_100000757381 [0,1,0,0,0,0|3,0,0]=4 2148 B13R1.27 CCSCCNCc1cc(no1)C 207a_100000106463_100011794430 [0,1,0,0,0,0|3,0,0]=4 2149 B13R1.27 CCSCCNCc1cc(no1)C 2230a_100000106463_100000707947 [0,1,0,0,0,0|3,0,0]=4 2150 B13R1.27 CCSCCNCc1cc(no1)C 2230a_100000745748_100000757381 [0,1,0,0,0,0|3,0,0]=4 2151 B13R1.27 CCSCCNCc1cc(no1)C 270004a_100000106463_100011794430 [0,1,0,0,0,0|3,0,0]=4 2152 B13R1.27 CCSCCNCc1cc(no1)C 34a_100000745748_100000757381 [0,1,0,0,0,0|3,0,0]=4 2153 B13R1.27 CCSCCNCc1ccc(o1)Br 207a_100000106463_100000185145 [0,1,0,0,0,0|2,0,0]=3 2154 B13R1.27 CCSCCNCc1ccc(o1)Br 270004a_100000106463_100000185145 [0,1,0,0,0,0|2,0,0]=3 2155 B13R1.27 CCSCCNCc1ccc(o1)Br 34a_100000708654_100000757381 [0,1,0,0,0,0|2,0,0]=3 2156 B13R1.27 CCSCCNCc1ccc(o1)C 207a_100000106463_100000183696 [0,1,0,0,0,0|2,0,0]=3 2157 B13R1.27 CCSCCNCc1ccc(o1)C 270004a_100000106463_100000183696 [0,1,0,0,0,0|2,0,0]=3 2158 B13R1.27 CCSCCNCc1ccc(o1)C 34a_100011194323_100000757381 [0,1,0,0,0,0|2,0,0]=3 2159 B13R1.27 CCSCCNCc1ccc(o1)Cl 207a_100000106463_100000188459 [0,1,0,0,0,0|2,0,0]=3 2160 B13R1.27 CCSCCNCc1ccc(o1)Cl 270004a_100000106463_100000188459 [0,1,0,0,0,0|2,0,0]=3 2161 B13R1.27 CCSCCNCc1ccc(o1)I 207a_100000106463_100000186757 [0,1,0,0,0,0|2,0,0]=3 2162 B13R1.27 CCSCCNCc1ccc(s1)Br 207a_100000106463_100000179771 [0,1,0,0,0,0|2,1,0]=4 2163 B13R1.27 CCSCCNCc1ccc(s1)Br 2230a_100000106463_100000708592 [0,1,0,0,0,0|2,1,0]=4 2164 B13R1.27 CCSCCNCc1ccc(s1)Br 270004a_100000106463_100000179771 [0,1,0,0,0,0|2,1,0]=4 2165 B13R1.27 CCSCCNCc1ccc(s1)C 207a_100000106463_100000211121 [0,1,0,0,0,0|2,1,0]=4 2166 B13R1.27 CCSCCNCc1ccc(s1)C 2230a_100000238518_100000757381 [0,1,0,0,0,0|2,1,0]=4 2167 B13R1.27 CCSCCNCc1ccc(s1)C 270004a_100000106463_100000211121 [0,1,0,0,0,0|2,1,0]=4 2168 B13R1.27 CCSCCNCc1ccc(s1)Cl 207a_100000106463_100000242774 [0,1,0,0,0,0|2,1,0]=4 2169 B13R1.27 CCSCCNCc1ccc(s1)Cl 2230a_100000106463_100000185097 [0,1,0,0,0,0|2,1,0]=4 2170 B13R1.27 CCSCCNCc1ccc(s1)Cl 2230a_100000737310_100000757381 [0,1,0,0,0,0|2,1,0]=4 2171 B13R1.27 CCSCCNCc1ccc(s1)Cl 270004a_100000106463_100000242774 [0,1,0,0,0,0|2,1,0]=4 2172 B13R1.27 CCSCCNCc1cnc(o1)C 207a_100000106463_100000084308 [0,1,0,0,0,0|3,0,0]=4 2173 B13R1.27 CCSCCNCc1cnc(o1)C 270004a_100000106463_100000084308 [0,1,0,0,0,0|3,0,0]=4 2174 B13R1.27 CCSCCNCc1ncc(o1)C 2230a_100138411809_100000757381 [0,1,0,0,0,0|3,0,0]=4 2175 B13R1.27 CCSCCNCc1ncc(o1)C 34a_100138411809_100000757381 [0,1,0,0,0,0|3,0,0]=4 2176 B13R1.27 CCSCCOCc1cc(cs1)Br 34a_100000212035_100000746031 [0,1,0,0,0,0|2,1,0]=4 2177 B13R1.27 CCSCCOCc1cc(cs1)Br 34a_100000238369_100000757381 [0,1,0,0,0,0|2,1,0]=4 2178 B13R1.27 CCSCCOCc1cc(cs1)Br 7a_100000212035_100000746031 [0,1,0,0,0,0|2,1,0]=4 2179 B13R1.27 CCSCCOCc1cc(cs1)Br 7a_100000238369_100000757381 [0,1,0,0,0,0|2,1,0]=4 2180 B13R1.27 CCSCCOCc1cc(cs1)C 34a_200000068372_100000757381 [0,1,0,0,0,0|2,1,0]=4 2181 B13R1.27 CCSCCOCc1cc(cs1)C 7a_200000068372_100000757381 [0,1,0,0,0,0|2,1,0]=4 2182 B13R1.27 CCSCCOCc1cc(no1)Br 34a_100009816691_100000757381 [0,1,0,0,0,0|3,0,0]=4 2183 B13R1.27 CCSCCOCc1cc(no1)Br 7a_100000212035_100000709089 [0,1,0,0,0,0|3,0,0]=4 2184 B13R1.27 CCSCCOCc1cc(no1)C 34a_100000212035_100000707947 [0,1,0,0,0,0|3,0,0]=4 2185 B13R1.27 CCSCCOCc1cc(no1)C 34a_100000684692_100000757381 [0,1,0,0,0,0|3,0,0]=4 2186 B13R1.27 CCSCCOCc1cc(no1)C 7a_100000212035_100000707947 [0,1,0,0,0,0|3,0,0]=4 2187 B13R1.27 CCSCCOCc1ccc(o1)Br 34a_100000246276_100000757381 [0,1,0,0,0,0|2,0,0]=3 2188 B13R1.27 CCSCCOCc1ccc(o1)Br 7a_100000246276_100000757381 [0,1,0,0,0,0|2,0,0]=3 2189 B13R1.27 CCSCCOCc1ccc(o1)C 34a_100011232665_100000757381 [0,1,0,0,0,0|2,0,0]=3 2190 B13R1.27 CCSCCOCc1ccc(o1)C 7a_100011232665_100000757381 [0,1,0,0,0,0|2,0,0]=3 2191 B13R1.27 CCSCCOCc1ccc(s1)Br 34a_100000212035_100000708592 [0,1,0,0,0,0|2,1,0]=4 2192 B13R1.27 CCSCCOCc1ccc(s1)Br 7a_100000212035_100000708592 [0,1,0,0,0,0|2,1,0]=4 2193 B13R1.27 CCSCCOCc1ccc(s1)C 34a_100000238367_100000757381 [0,1,0,0,0,0|2,1,0]=4 2194 B13R1.27 CCSCCOCc1ccc(s1)Cl 34a_100000212035_100000185097 [0,1,0,0,0,0|2,1,0]=4 2195 B13R1.27 CCSCCOCc1ccc(s1)Cl 7a_100000212035_100000185097 [0,1,0,0,0,0|2,1,0]=4 2196 B13R1.27 CCSCCSCc1cc(cs1)Br 62a_100000746031_100000757381 [0,1,0,0,0,0|2,1,0]=4 2197 B13R1.27 CCSCCSCc1cc(cs1)Br 62a_100000757381_100000746031 [0,1,0,0,0,0|2,1,0]=4 2198 B13R1.27 CCSCCSCc1cc(no1)Br 62a_100000709089_100000757381 [0,1,0,0,0,0|3,0,0]=4 2199 B13R1.27 CCSCCSCc1cc(no1)Br 62a_100000757381_100000709089 [0,1,0,0,0,0|3,0,0]=4 2200 B13R1.27 CCSCCSCc1cc(no1)C 62a_100000707947_100000757381 [0,1,0,0,0,0|3,0,0]=4 2201 B13R1.27 CCSCCSCc1cc(no1)C 62a_100000757381_100000707947 [0,1,0,0,0,0|3,0,0]=4 2202 B13R1.27 CCSCCSCc1ccc(s1)Br 62a_100000708592_100000757381 [0,1,0,0,0,0|2,1,0]=4 2203 B13R1.27 CCSCCSCc1ccc(s1)Br 62a_100000757381_100000708592 [0,1,0,0,0,0|2,1,0]=4 2204 B13R1.27 CCSCCSCc1ccc(s1)Cl 62a_100000185097_100000757381 [0,1,0,0,0,0|2,1,0]=4 2205 B13R1.27 CCSCCSCc1ccc(s1)Cl 62a_100000757381_100000185097 [0,1,0,0,0,0|2,1,0]=4 2206 B13R1.27 CNCCCOCc1cc(cs1)Br 34a_100000213112_100000746031 [0,1,0,0,0,0|2,1,0]=4 2207 B13R1.27 CNCCCOCc1cc(no1)C 34a_100000213112_100000707947 [0,1,0,0,0,0|3,0,0]=4 2208 B13R1.27 CNCCCOCc1ccc(s1)Br 34a_100000213112_100000708592 [0,1,0,0,0,0|2,1,0]=4 2209 B13R1.27 CNCCCOCc1ccc(s1)Cl 34a_100000213112_100000185097 [0,1,0,0,0,0|2,1,0]=4 2210 B13R1.27 COCCCCCc1nc(no1)C 270196a_100000212224_100011935119 [0,1,0,0,0,0|3,0,0]=4 2211 B13R1.27 COCCCCSc1cc(cs1)C 62a_100000730899_100009876951 [0,1,0,0,0,0|2,1,0]=4 2212 B13R1.27 COCCCCSc1cc(cs1)C 62a_100009876951_100000730899 [0,1,0,0,0,0|2,1,0]=4 2213 B13R1.27 COCCCCSc1ccc(s1)Br 62a_100000730899_100010197418 [0,1,0,0,0,0|2,1,0]=4 2214 B13R1.27 COCCCCSc1ccc(s1)Br 62a_100010197418_100000730899 [0,1,0,0,0,0|2,1,0]=4 2215 B13R1.27 COCCCCSc1ccc(s1)C 62a_100000031368_100000730899 [0,1,0,0,0,0|2,1,0]=4 2216 B13R1.27 COCCCCSc1ccc(s1)C 62a_100000730899_100000031368 [0,1,0,0,0,0|2,1,0]=4 2217 B13R1.27 COCCCNCc1cc(c[nH]1)Br 270004a_100150723488_100000720742 [0,1,0,0,0,0|3,0,0]=4 2218 B13R1.27 COCCCNCc1cc(co1)Br 270004a_100150723488_100000747035 [0,1,0,0,0,0|2,0,0]=3 2219 B13R1.27 COCCCNCc1cc(cs1)Br 207a_100150723488_100000211722 [0,1,0,0,0,0|2,1,0]=4 2220 B13R1.27 COCCCNCc1cc(cs1)Br 2230a_100000741024_100000740836 [0,1,0,0,0,0|2,1,0]=4 2221 B13R1.27 COCCCNCc1cc(cs1)Br 270004a_100150723488_100000211722 [0,1,0,0,0,0|2,1,0]=4 2222 B13R1.27 COCCCNCc1cc(cs1)Br 34a_100000741024_100000740836 [0,1,0,0,0,0|2,1,0]=4 2223 B13R1.27 COCCCNCc1cc(cs1)Br 34a_100150723488_100000746031 [0,1,0,0,0,0|2,1,0]=4 2224 B13R1.27 COCCCNCc1cc(cs1)C 207a_100150723488_100102525248 [0,1,0,0,0,0|2,1,0]=4 2225 B13R1.27 COCCCNCc1cc(cs1)C 2230a_100015204214_100000740836 [0,1,0,0,0,0|2,1,0]=4 2226 B13R1.27 COCCCNCc1cc(cs1)C 270004a_100150723488_100102525248 [0,1,0,0,0,0|2,1,0]=4 2227 B13R1.27 COCCCNCc1cc(cs1)C 34a_100015204214_100000740836 [0,1,0,0,0,0|2,1,0]=4 2228 B13R1.27 COCCCNCc1cc(cs1)Cl 207a_100150723488_100000102487 [0,1,0,0,0,0|2,1,0]=4 2229 B13R1.27 COCCCNCc1cc(cs1)Cl 270004a_100150723488_100000102487 [0,1,0,0,0,0|2,1,0]=4 2230 B13R1.27 COCCCNCc1cc(cs1)I 207a_100150723488_100010179861 [0,1,0,0,0,0|2,1,0]=4 2231 B13R1.27 COCCCNCc1cc(no1)Br 2230a_100015193020_100000740836 [0,1,0,0,0,0|3,0,0]=4 2232 B13R1.27 COCCCNCc1cc(no1)Br 270004a_100150723488_100009819588 [0,1,0,0,0,0|3,0,0]=4 2233 B13R1.27 COCCCNCc1cc(no1)Br 34a_100015193020_100000740836 [0,1,0,0,0,0|3,0,0]=4 2234 B13R1.27 COCCCNCc1cc(no1)C 207a_100150723488_100011794430 [0,1,0,0,0,0|3,0,0]=4 2235 B13R1.27 COCCCNCc1cc(no1)C 2230a_100000745748_100000740836 [0,1,0,0,0,0|3,0,0]=4 2236 B13R1.27 COCCCNCc1cc(no1)C 270004a_100150723488_100011794430 [0,1,0,0,0,0|3,0,0]=4 2237 B13R1.27 COCCCNCc1cc(no1)C 34a_100000745748_100000740836 [0,1,0,0,0,0|3,0,0]=4 2238 B13R1.27 COCCCNCc1cc(no1)C 34a_100150723488_100000707947 [0,1,0,0,0,0|3,0,0]=4 2239 B13R1.27 COCCCNCc1ccc(o1)Br 207a_100150723488_100000185145 [0,1,0,0,0,0|2,0,0]=3 2240 B13R1.27 COCCCNCc1ccc(o1)Br 270004a_100150723488_100000185145 [0,1,0,0,0,0|2,0,0]=3 2241 B13R1.27 COCCCNCc1ccc(o1)Br 34a_100000708654_100000740836 [0,1,0,0,0,0|2,0,0]=3 2242 B13R1.27 COCCCNCc1ccc(o1)C 207a_100150723488_100000183696 [0,1,0,0,0,0|2,0,0]=3 2243 B13R1.27 COCCCNCc1ccc(o1)C 270004a_100150723488_100000183696 [0,1,0,0,0,0|2,0,0]=3 2244 B13R1.27 COCCCNCc1ccc(o1)C 34a_100011194323_100000740836 [0,1,0,0,0,0|2,0,0]=3 2245 B13R1.27 COCCCNCc1ccc(o1)Cl 207a_100150723488_100000188459 [0,1,0,0,0,0|2,0,0]=3 2246 B13R1.27 COCCCNCc1ccc(o1)Cl 270004a_100150723488_100000188459 [0,1,0,0,0,0|2,0,0]=3 2247 B13R1.27 COCCCNCc1ccc(o1)I 207a_100150723488_100000186757 [0,1,0,0,0,0|2,0,0]=3 2248 B13R1.27 COCCCNCc1ccc(s1)Br 207a_100150723488_100000179771 [0,1,0,0,0,0|2,1,0]=4 2249 B13R1.27 COCCCNCc1ccc(s1)Br 270004a_100150723488_100000179771 [0,1,0,0,0,0|2,1,0]=4 2250 B13R1.27 COCCCNCc1ccc(s1)Br 34a_100150723488_100000708592 [0,1,0,0,0,0|2,1,0]=4 2251 B13R1.27 COCCCNCc1ccc(s1)C 207a_100150723488_100000211121 [0,1,0,0,0,0|2,1,0]=4 2252 B13R1.27 COCCCNCc1ccc(s1)C 2230a_100000238518_100000740836 [0,1,0,0,0,0|2,1,0]=4 2253 B13R1.27 COCCCNCc1ccc(s1)C 270004a_100150723488_100000211121 [0,1,0,0,0,0|2,1,0]=4 2254 B13R1.27 COCCCNCc1ccc(s1)Cl 207a_100150723488_100000242774 [0,1,0,0,0,0|2,1,0]=4 2255 B13R1.27 COCCCNCc1ccc(s1)Cl 2230a_100000737310_100000740836 [0,1,0,0,0,0|2,1,0]=4 2256 B13R1.27 COCCCNCc1ccc(s1)Cl 270004a_100150723488_100000242774 [0,1,0,0,0,0|2,1,0]=4 2257 B13R1.27 COCCCNCc1ccc(s1)Cl 34a_100150723488_100000185097 [0,1,0,0,0,0|2,1,0]=4 2258 B13R1.27 COCCCNCc1cnc(o1)C 207a_100150723488_100000084308 [0,1,0,0,0,0|3,0,0]=4 2259 B13R1.27 COCCCNCc1cnc(o1)C 270004a_100150723488_100000084308 [0,1,0,0,0,0|3,0,0]=4 2260 B13R1.27 COCCCNCc1ncc(o1)C 2230a_100138411809_100000740836 [0,1,0,0,0,0|3,0,0]=4 2261 B13R1.27 COCCCNCc1ncc(o1)C 34a_100138411809_100000740836 [0,1,0,0,0,0|3,0,0]=4 2262 B13R1.27 COCCCOCc1cc(cs1)Br 34a_100000238369_100000740836 [0,1,0,0,0,0|2,1,0]=4 2263 B13R1.27 COCCCOCc1cc(cs1)Br 34a_100000740835_100000746031 [0,1,0,0,0,0|2,1,0]=4 2264 B13R1.27 COCCCOCc1cc(cs1)Br 7a_100000238369_100000740836 [0,1,0,0,0,0|2,1,0]=4 2265 B13R1.27 COCCCOCc1cc(cs1)C 34a_200000068372_100000740836 [0,1,0,0,0,0|2,1,0]=4 2266 B13R1.27 COCCCOCc1cc(cs1)C 7a_200000068372_100000740836 [0,1,0,0,0,0|2,1,0]=4 2267 B13R1.27 COCCCOCc1cc(no1)Br 34a_100009816691_100000740836 [0,1,0,0,0,0|3,0,0]=4 2268 B13R1.27 COCCCOCc1cc(no1)C 34a_100000684692_100000740836 [0,1,0,0,0,0|3,0,0]=4 2269 B13R1.27 COCCCOCc1cc(no1)C 34a_100000740835_100000707947 [0,1,0,0,0,0|3,0,0]=4 2270 B13R1.27 COCCCOCc1ccc(o1)Br 34a_100000246276_100000740836 [0,1,0,0,0,0|2,0,0]=3 2271 B13R1.27 COCCCOCc1ccc(o1)Br 7a_100000246276_100000740836 [0,1,0,0,0,0|2,0,0]=3 2272 B13R1.27 COCCCOCc1ccc(o1)C 34a_100011232665_100000740836 [0,1,0,0,0,0|2,0,0]=3 2273 B13R1.27 COCCCOCc1ccc(o1)C 7a_100011232665_100000740836 [0,1,0,0,0,0|2,0,0]=3 2274 B13R1.27 COCCCOCc1ccc(s1)Br 34a_100000740835_100000708592 [0,1,0,0,0,0|2,1,0]=4 2275 B13R1.27 COCCCOCc1ccc(s1)C 34a_100000238367_100000740836 [0,1,0,0,0,0|2,1,0]=4 2276 B13R1.27 COCCCOCc1ccc(s1)Cl 34a_100000740835_100000185097 [0,1,0,0,0,0|2,1,0]=4 2277 B13R1.27 COCCCSCc1cc(cs1)Br 62a_100000709357_100000746031 [0,1,0,0,0,0|2,1,0]=4 2278 B13R1.27 COCCCSCc1cc(cs1)Br 62a_100000746031_100000709357 [0,1,0,0,0,0|2,1,0]=4 2279 B13R1.27 COCCCSCc1cc(no1)Br 62a_100000709089_100000709357 [0,1,0,0,0,0|3,0,0]=4 2280 B13R1.27 COCCCSCc1cc(no1)Br 62a_100000709357_100000709089 [0,1,0,0,0,0|3,0,0]=4 2281 B13R1.27 COCCCSCc1cc(no1)C 62a_100000707947_100000709357 [0,1,0,0,0,0|3,0,0]=4 2282 B13R1.27 COCCCSCc1cc(no1)C 62a_100000709357_100000707947 [0,1,0,0,0,0|3,0,0]=4 2283 B13R1.27 COCCCSCc1ccc(s1)Br 62a_100000708592_100000709357 [0,1,0,0,0,0|2,1,0]=4 2284 B13R1.27 COCCCSCc1ccc(s1)Br 62a_100000709357_100000708592 [0,1,0,0,0,0|2,1,0]=4 2285 B13R1.27 COCCCSCc1ccc(s1)Cl 62a_100000185097_100000709357 [0,1,0,0,0,0|2,1,0]=4 2286 B13R1.27 COCCCSCc1ccc(s1)Cl 62a_100000709357_100000185097 [0,1,0,0,0,0|2,1,0]=4 2287 B13R1.27 COCCNCCc1ccc(o1)C 2230a_100000739271_100011201679 [0,1,0,0,0,0|2,0,0]=3 2288 B13R1.27 COCCNCCc1ccc(o1)C 34a_100000739271_100011201679 [0,1,0,0,0,0|2,0,0]=3 2289 B13R1.27 COCCNCCc1ccc(s1)Br 2230a_100000217605_100011201679 [0,1,0,0,0,0|2,1,0]=4 2290 B13R1.27 COCCOCCc1cc(no1)Br 34a_100009816916_100011201679 [0,1,0,0,0,0|3,0,0]=4 2291 B13R1.27 COCCOCCc1ccc(o1)C 34a_100012161071_100011201679 [0,1,0,0,0,0|2,0,0]=3 2292 B13R1.27 COCCOCCc1ccc(o1)C 7a_100012161071_100000233755 [0,1,0,0,0,0|2,0,0]=3 2293 B13R1.27 CSCCCNCc1cc(c[nH]1)Br 270004a_100000749238_100000720742 [0,1,0,0,0,0|3,0,0]=4 2294 B13R1.27 CSCCCNCc1cc(co1)Br 270004a_100000749238_100000747035 [0,1,0,0,0,0|2,0,0]=3 2295 B13R1.27 CSCCCNCc1cc(cs1)Br 207a_100000749238_100000211722 [0,1,0,0,0,0|2,1,0]=4 2296 B13R1.27 CSCCCNCc1cc(cs1)Br 2230a_100000749238_100000746031 [0,1,0,0,0,0|2,1,0]=4 2297 B13R1.27 CSCCCNCc1cc(cs1)Br 270004a_100000749238_100000211722 [0,1,0,0,0,0|2,1,0]=4 2298 B13R1.27 CSCCCNCc1cc(cs1)C 207a_100000749238_100102525248 [0,1,0,0,0,0|2,1,0]=4 2299 B13R1.27 CSCCCNCc1cc(cs1)C 270004a_100000749238_100102525248 [0,1,0,0,0,0|2,1,0]=4 2300 B13R1.27 CSCCCNCc1cc(cs1)Cl 207a_100000749238_100000102487 [0,1,0,0,0,0|2,1,0]=4 2301 B13R1.27 CSCCCNCc1cc(cs1)Cl 270004a_100000749238_100000102487 [0,1,0,0,0,0|2,1,0]=4 2302 B13R1.27 CSCCCNCc1cc(cs1)I 207a_100000749238_100010179861 [0,1,0,0,0,0|2,1,0]=4 2303 B13R1.27 CSCCCNCc1cc(no1)Br 270004a_100000749238_100009819588 [0,1,0,0,0,0|3,0,0]=4 2304 B13R1.27 CSCCCNCc1cc(no1)C 207a_100000749238_100011794430 [0,1,0,0,0,0|3,0,0]=4 2305 B13R1.27 CSCCCNCc1cc(no1)C 2230a_100000749238_100000707947 [0,1,0,0,0,0|3,0,0]=4 2306 B13R1.27 CSCCCNCc1cc(no1)C 270004a_100000749238_100011794430 [0,1,0,0,0,0|3,0,0]=4 2307 B13R1.27 CSCCCNCc1ccc(o1)Br 207a_100000749238_100000185145 [0,1,0,0,0,0|2,0,0]=3 2308 B13R1.27 CSCCCNCc1ccc(o1)Br 270004a_100000749238_100000185145 [0,1,0,0,0,0|2,0,0]=3 2309 B13R1.27 CSCCCNCc1ccc(o1)C 207a_100000749238_100000183696 [0,1,0,0,0,0|2,0,0]=3 2310 B13R1.27 CSCCCNCc1ccc(o1)C 270004a_100000749238_100000183696 [0,1,0,0,0,0|2,0,0]=3 2311 B13R1.27 CSCCCNCc1ccc(o1)Cl 207a_100000749238_100000188459 [0,1,0,0,0,0|2,0,0]=3 2312 B13R1.27 CSCCCNCc1ccc(o1)Cl 270004a_100000749238_100000188459 [0,1,0,0,0,0|2,0,0]=3 2313 B13R1.27 CSCCCNCc1ccc(o1)I 207a_100000749238_100000186757 [0,1,0,0,0,0|2,0,0]=3 2314 B13R1.27 CSCCCNCc1ccc(s1)Br 207a_100000749238_100000179771 [0,1,0,0,0,0|2,1,0]=4 2315 B13R1.27 CSCCCNCc1ccc(s1)Br 2230a_100000749238_100000708592 [0,1,0,0,0,0|2,1,0]=4 2316 B13R1.27 CSCCCNCc1ccc(s1)Br 270004a_100000749238_100000179771 [0,1,0,0,0,0|2,1,0]=4 2317 B13R1.27 CSCCCNCc1ccc(s1)C 207a_100000749238_100000211121 [0,1,0,0,0,0|2,1,0]=4 2318 B13R1.27 CSCCCNCc1ccc(s1)C 270004a_100000749238_100000211121 [0,1,0,0,0,0|2,1,0]=4 2319 B13R1.27 CSCCCNCc1ccc(s1)Cl 207a_100000749238_100000242774 [0,1,0,0,0,0|2,1,0]=4 2320 B13R1.27 CSCCCNCc1ccc(s1)Cl 2230a_100000749238_100000185097 [0,1,0,0,0,0|2,1,0]=4 2321 B13R1.27 CSCCCNCc1ccc(s1)Cl 270004a_100000749238_100000242774 [0,1,0,0,0,0|2,1,0]=4 2322 B13R1.27 CSCCCNCc1cnc(o1)C 207a_100000749238_100000084308 [0,1,0,0,0,0|3,0,0]=4 2323 B13R1.27 CSCCCNCc1cnc(o1)C 270004a_100000749238_100000084308 [0,1,0,0,0,0|3,0,0]=4 2324 B13R1.27 CSCCCOCc1cc(cs1)Br 34a_100000690336_100000746031 [0,1,0,0,0,0|2,1,0]=4 2325 B13R1.27 CSCCCOCc1cc(cs1)Br 7a_100000690336_100000746031 [0,1,0,0,0,0|2,1,0]=4 2326 B13R1.27 CSCCCOCc1cc(no1)Br 7a_100000690336_100000709089 [0,1,0,0,0,0|3,0,0]=4 2327 B13R1.27 CSCCCOCc1cc(no1)C 34a_100000690336_100000707947 [0,1,0,0,0,0|3,0,0]=4 2328 B13R1.27 CSCCCOCc1cc(no1)C 7a_100000690336_100000707947 [0,1,0,0,0,0|3,0,0]=4 2329 B13R1.27 CSCCCOCc1ccc(s1)Br 34a_100000690336_100000708592 [0,1,0,0,0,0|2,1,0]=4 2330 B13R1.27 CSCCCOCc1ccc(s1)Br 7a_100000690336_100000708592 [0,1,0,0,0,0|2,1,0]=4 2331 B13R1.27 CSCCCOCc1ccc(s1)Cl 34a_100000690336_100000185097 [0,1,0,0,0,0|2,1,0]=4 2332 B13R1.27 CSCCCOCc1ccc(s1)Cl 7a_100000690336_100000185097 [0,1,0,0,0,0|2,1,0]=4 2333 B13R1.27 CSCCNCCc1ccc(o1)C 2230a_100000739271_100000751147 [0,1,0,0,0,0|2,0,0]=3 2334 B13R1.27 CSCCNCCc1ccc(o1)C 34a_100000739271_100000212216 [0,1,0,0,0,0|2,0,0]=3 2335 B13R1.27 CSCCNCCc1ccc(s1)Br 2230a_100000217605_100000751147 [0,1,0,0,0,0|2,1,0]=4 2336 B13R1.27 CSCCOCCc1cc(no1)Br 34a_100009816916_100000212216 [0,1,0,0,0,0|3,0,0]=4 2337 B13R1.27 CSCCOCCc1ccc(o1)C 34a_100012161071_100000212216 [0,1,0,0,0,0|2,0,0]=3 2338 B13R1.27 CSCCOCCc1ccc(o1)C 7a_100012161071_100000212216 [0,1,0,0,0,0|2,0,0]=3 2339 B13R1.27 Cc1cc(on1)CNCCCCF 2230a_100000745748_100000729493 [0,1,0,0,0,0|3,0,0]=4 2340 B13R1.27 Cc1cc(on1)CNCCCCF 34a_100000745748_100000729493 [0,1,0,0,0,0|3,0,0]=4 2341 B13R1.27 Cc1cc(on1)CNCCCCO 207a_100000750430_100011794430 [0,1,0,0,0,0|3,0,0]=4 2342 B13R1.27 Cc1cc(on1)CNCCCCO 2230a_100000745748_100000210776 [0,1,0,0,0,0|3,0,0]=4 2343 B13R1.27 Cc1cc(on1)CNCCCCO 2230a_100000750430_100000707947 [0,1,0,0,0,0|3,0,0]=4 2344 B13R1.27 Cc1cc(on1)CNCCCCO 270004a_100000750430_100011794430 [0,1,0,0,0,0|3,0,0]=4 2345 B13R1.27 Cc1cc(on1)CNCCCCO 34a_100000745748_100011216708 [0,1,0,0,0,0|3,0,0]=4 2346 B13R1.27 Cc1cc(on1)CNCCCCO 34a_100000750430_100000707947 [0,1,0,0,0,0|3,0,0]=4 2347 B13R1.27 Cc1cc(on1)COCCCCBr 34a_100011216708_100000707947 [0,1,0,0,0,0|3,0,0]=4 2348 B13R1.27 Cc1cc(on1)COCCCCCl 34a_100000210776_100000707947 [0,1,0,0,0,0|3,0,0]=4 2349 B13R1.27 Cc1cc(on1)COCCCCCl 7a_100000210776_100000707947 [0,1,0,0,0,0|3,0,0]=4 2350 B13R1.27 Cc1cc(on1)COCCCCF 34a_100000684692_100000729493 [0,1,0,0,0,0|3,0,0]=4 2351 B13R1.27 Cc1cc(on1)COCCCCF 34a_100011995726_100000707947 [0,1,0,0,0,0|3,0,0]=4 2352 B13R1.27 Cc1cc(on1)COCCCCF 7a_100011995726_100000707947 [0,1,0,0,0,0|3,0,0]=4 2353 B13R1.27 Cc1cc(on1)COCCCCI 34a_200012148704_100000707947 [0,1,0,0,0,0|3,0,0]=4 2354 B13R1.27 Cc1cc(on1)COCCCCN 34a_100000750430_100000707947 [0,1,0,0,0,0|3,0,0]=4 2355 B13R1.27 Cc1cc(on1)COCCCCO 34a_100000684692_100011216708 [0,1,0,0,0,0|3,0,0]=4 2356 B13R1.27 Cc1cc(on1)CSCCCCF 62a_100000707947_100000729493 [0,1,0,0,0,0|3,0,0]=4 2357 B13R1.27 Cc1cc(on1)CSCCCCF 62a_100000729493_100000707947 [0,1,0,0,0,0|3,0,0]=4 2358 B13R1.27 Cc1cc(on1)CSCCCCO 62a_100000210776_100000707947 [0,1,0,0,0,0|3,0,0]=4 2359 B13R1.27 Cc1cc(on1)CSCCCCO 62a_100000707947_100000210776 [0,1,0,0,0,0|3,0,0]=4 2360 B13R1.27 Cc1ccc(o1)CCNCCC#N 2230a_100000739271_100011215226 [0,1,0,0,0,0|2,0,1]=4 2361 B13R1.27 Cc1ccc(o1)CCNCCCF 2230a_100000739271_100011934791 [0,1,0,0,0,0|2,0,0]=3 2362 B13R1.27 Cc1ccc(o1)CCNCCCF 34a_100000739271_100011934791 [0,1,0,0,0,0|2,0,0]=3 2363 B13R1.27 Cc1ccc(o1)CCNCCCO 2230a_100000739271_100000230001 [0,1,0,0,0,0|2,0,0]=3 2364 B13R1.27 Cc1ccc(o1)CCNCCCO 34a_100000739271_100000230001 [0,1,0,0,0,0|2,0,0]=3 2365 B13R1.27 Cc1ccc(o1)CCOCCC#N 7a_100012161071_100000184422 [0,1,0,0,0,0|2,0,1]=4 2366 B13R1.27 Cc1ccc(o1)CCOCCCF 34a_100012161071_100011934791 [0,1,0,0,0,0|2,0,0]=3 2367 B13R1.27 Cc1ccc(o1)CCOCCCF 7a_100012161071_100011934791 [0,1,0,0,0,0|2,0,0]=3 2368 B13R1.27 Cc1ccc(o1)CCOCCCO 34a_100012161071_100000230001 [0,1,0,0,0,0|2,0,0]=3 2369 B13R1.27 Cc1ccc(o1)CCOCCCO 7a_100012161071_100011215043 [0,1,0,0,0,0|2,0,0]=3 2370 B13R1.27 Cc1ccc(o1)CNCCCCF 34a_100011194323_100000729493 [0,1,0,0,0,0|2,0,0]=3 2371 B13R1.27 Cc1ccc(o1)CNCCCCO 207a_100000750430_100000183696 [0,1,0,0,0,0|2,0,0]=3 2372 B13R1.27 Cc1ccc(o1)CNCCCCO 270004a_100000750430_100000183696 [0,1,0,0,0,0|2,0,0]=3 2373 B13R1.27 Cc1ccc(o1)CNCCCCO 34a_100011194323_100011216708 [0,1,0,0,0,0|2,0,0]=3 2374 B13R1.27 Cc1ccc(o1)COCCCC#N 7a_100011232665_100000687738 [0,1,0,0,0,0|2,0,1]=4 2375 B13R1.27 Cc1ccc(o1)COCCCC=O 7a_100011232665_200011292268 [0,1,0,0,0,0|2,0,1]=4 2376 B13R1.27 Cc1ccc(o1)COCCCCF 34a_100011232665_100000729493 [0,1,0,0,0,0|2,0,0]=3 2377 B13R1.27 Cc1ccc(o1)COCCCCF 7a_100011232665_100000729493 [0,1,0,0,0,0|2,0,0]=3 2378 B13R1.27 Cc1ccc(o1)COCCCCO 34a_100011232665_100011216708 [0,1,0,0,0,0|2,0,0]=3 2379 B13R1.27 Cc1ccc(o1)COCCCCO 7a_100011232665_100000210776 [0,1,0,0,0,0|2,0,0]=3 2380 B13R1.27 Cc1ccc(s1)CNCCCCF 2230a_100000238518_100000729493 [0,1,0,0,0,0|2,1,0]=4 2381 B13R1.27 Cc1ccc(s1)CNCCCCO 207a_100000750430_100000211121 [0,1,0,0,0,0|2,1,0]=4 2382 B13R1.27 Cc1ccc(s1)CNCCCCO 2230a_100000238518_100000210776 [0,1,0,0,0,0|2,1,0]=4 2383 B13R1.27 Cc1ccc(s1)CNCCCCO 270004a_100000750430_100000211121 [0,1,0,0,0,0|2,1,0]=4 2384 B13R1.27 Cc1ccc(s1)COCCCCF 34a_100000238367_100000729493 [0,1,0,0,0,0|2,1,0]=4 2385 B13R1.27 Cc1ccc(s1)COCCCCO 34a_100000238367_100011216708 [0,1,0,0,0,0|2,1,0]=4 2386 B13R1.27 Cc1ccc(s1)SCCCCCF 62a_100000031368_100000729378 [0,1,0,0,0,0|2,1,0]=4 2387 B13R1.27 Cc1ccc(s1)SCCCCCF 62a_100000729378_100000031368 [0,1,0,0,0,0|2,1,0]=4 2388 B13R1.27 Cc1ccc(s1)SCCCCCO 62a_100000031368_100000746330 [0,1,0,0,0,0|2,1,0]=4 2389 B13R1.27 Cc1ccc(s1)SCCCCCO 62a_100000746330_100000031368 [0,1,0,0,0,0|2,1,0]=4 2390 B13R1.27 Cc1cnc(o1)CNCCCCF 2230a_100138411809_100000729493 [0,1,0,0,0,0|3,0,0]=4 2391 B13R1.27 Cc1cnc(o1)CNCCCCF 34a_100138411809_100000729493 [0,1,0,0,0,0|3,0,0]=4 2392 B13R1.27 Cc1cnc(o1)CNCCCCO 2230a_100138411809_100000210776 [0,1,0,0,0,0|3,0,0]=4 2393 B13R1.27 Cc1cnc(o1)CNCCCCO 34a_100138411809_100011216708 [0,1,0,0,0,0|3,0,0]=4 2394 B13R1.27 Cc1csc(c1)CNCCCCF 2230a_100015204214_100000729493 [0,1,0,0,0,0|2,1,0]=4 2395 B13R1.27 Cc1csc(c1)CNCCCCF 34a_100015204214_100000729493 [0,1,0,0,0,0|2,1,0]=4 2396 B13R1.27 Cc1csc(c1)CNCCCCO 207a_100000750430_100102525248 [0,1,0,0,0,0|2,1,0]=4 2397 B13R1.27 Cc1csc(c1)CNCCCCO 2230a_100015204214_100000210776 [0,1,0,0,0,0|2,1,0]=4 2398 B13R1.27 Cc1csc(c1)CNCCCCO 270004a_100000750430_100102525248 [0,1,0,0,0,0|2,1,0]=4 2399 B13R1.27 Cc1csc(c1)CNCCCCO 34a_100015204214_100011216708 [0,1,0,0,0,0|2,1,0]=4 2400 B13R1.27 Cc1csc(c1)COCCCCF 34a_200000068372_100000729493 [0,1,0,0,0,0|2,1,0]=4 2401 B13R1.27 Cc1csc(c1)COCCCCF 7a_200000068372_100000729493 [0,1,0,0,0,0|2,1,0]=4 2402 B13R1.27 Cc1csc(c1)COCCCCO 34a_200000068372_100011216708 [0,1,0,0,0,0|2,1,0]=4 2403 B13R1.27 Cc1csc(c1)COCCCCO 7a_200000068372_100000210776 [0,1,0,0,0,0|2,1,0]=4 2404 B13R1.27 Cc1csc(c1)SCCCCCF 62a_100000729378_100009876951 [0,1,0,0,0,0|2,1,0]=4 2405 B13R1.27 Cc1csc(c1)SCCCCCF 62a_100009876951_100000729378 [0,1,0,0,0,0|2,1,0]=4 2406 B13R1.27 Cc1csc(c1)SCCCCCO 62a_100000746330_100009876951 [0,1,0,0,0,0|2,1,0]=4 2407 B13R1.27 Cc1csc(c1)SCCCCCO 62a_100009876951_100000746330 [0,1,0,0,0,0|2,1,0]=4 2408 B13R1.27 Cc1ncc(o1)CNCCCCO 207a_100000750430_100000084308 [0,1,0,0,0,0|3,0,0]=4 2409 B13R1.27 Cc1ncc(o1)CNCCCCO 270004a_100000750430_100000084308 [0,1,0,0,0,0|3,0,0]=4 2410 B13R1.27 Cc1noc(n1)CCCCCCO 270196a_100000212224_100011996774 [0,1,0,0,0,0|3,0,0]=4 2411 B13R1.27 ClCCCCOCc1cc(cs1)Br 34a_100000210776_100000746031 [0,1,0,0,0,0|2,1,0]=4 2412 B13R1.27 ClCCCCOCc1cc(cs1)Br 7a_100000210776_100000746031 [0,1,0,0,0,0|2,1,0]=4 2413 B13R1.27 ClCCCCOCc1cc(no1)Br 7a_100000210776_100000709089 [0,1,0,0,0,0|3,0,0]=4 2414 B13R1.27 ClCCCCOCc1ccc(s1)Br 34a_100000210776_100000708592 [0,1,0,0,0,0|2,1,0]=4 2415 B13R1.27 ClCCCCOCc1ccc(s1)Br 7a_100000210776_100000708592 [0,1,0,0,0,0|2,1,0]=4 2416 B13R1.27 ClCCCCOCc1ccc(s1)Cl 34a_100000210776_100000185097 [0,1,0,0,0,0|2,1,0]=4 2417 B13R1.27 ClCCCCOCc1ccc(s1)Cl 7a_100000210776_100000185097 [0,1,0,0,0,0|2,1,0]=4 2418 B13R1.27 Clc1ccc(s1)COCCCCBr 34a_100011216708_100000185097 [0,1,0,0,0,0|2,1,0]=4 2419 B13R1.27 Clc1ccc(s1)COCCCCI 34a_200012148704_100000185097 [0,1,0,0,0,0|2,1,0]=4 2420 B13R1.27 FCCCCCSc1ccc(s1)Br 62a_100000729378_100010197418 [0,1,0,0,0,0|2,1,0]=4 2421 B13R1.27 FCCCCCSc1ccc(s1)Br 62a_100010197418_100000729378 [0,1,0,0,0,0|2,1,0]=4 2422 B13R1.27 FCCCCNCc1cc(cs1)Br 2230a_100000741024_100000729493 [0,1,0,0,0,0|2,1,0]=4 2423 B13R1.27 FCCCCNCc1cc(cs1)Br 34a_100000741024_100000729493 [0,1,0,0,0,0|2,1,0]=4 2424 B13R1.27 FCCCCNCc1cc(no1)Br 2230a_100015193020_100000729493 [0,1,0,0,0,0|3,0,0]=4 2425 B13R1.27 FCCCCNCc1cc(no1)Br 34a_100015193020_100000729493 [0,1,0,0,0,0|3,0,0]=4 2426 B13R1.27 FCCCCNCc1ccc(o1)Br 34a_100000708654_100000729493 [0,1,0,0,0,0|2,0,0]=3 2427 B13R1.27 FCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000729493 [0,1,0,0,0,0|2,1,0]=4 2428 B13R1.27 FCCCCOCc1cc(cs1)Br 34a_100000238369_100000729493 [0,1,0,0,0,0|2,1,0]=4 2429 B13R1.27 FCCCCOCc1cc(cs1)Br 34a_100011995726_100000746031 [0,1,0,0,0,0|2,1,0]=4 2430 B13R1.27 FCCCCOCc1cc(cs1)Br 7a_100000238369_100000729493 [0,1,0,0,0,0|2,1,0]=4 2431 B13R1.27 FCCCCOCc1cc(cs1)Br 7a_100011995726_100000746031 [0,1,0,0,0,0|2,1,0]=4 2432 B13R1.27 FCCCCOCc1cc(no1)Br 34a_100009816691_100000729493 [0,1,0,0,0,0|3,0,0]=4 2433 B13R1.27 FCCCCOCc1cc(no1)Br 7a_100011995726_100000709089 [0,1,0,0,0,0|3,0,0]=4 2434 B13R1.27 FCCCCOCc1ccc(o1)Br 34a_100000246276_100000729493 [0,1,0,0,0,0|2,0,0]=3 2435 B13R1.27 FCCCCOCc1ccc(o1)Br 7a_100000246276_100000729493 [0,1,0,0,0,0|2,0,0]=3 2436 B13R1.27 FCCCCOCc1ccc(s1)Br 34a_100011995726_100000708592 [0,1,0,0,0,0|2,1,0]=4 2437 B13R1.27 FCCCCOCc1ccc(s1)Br 7a_100011995726_100000708592 [0,1,0,0,0,0|2,1,0]=4 2438 B13R1.27 FCCCCOCc1ccc(s1)Cl 34a_100011995726_100000185097 [0,1,0,0,0,0|2,1,0]=4 2439 B13R1.27 FCCCCOCc1ccc(s1)Cl 7a_100011995726_100000185097 [0,1,0,0,0,0|2,1,0]=4 2440 B13R1.27 FCCCCSCc1cc(cs1)Br 62a_100000729493_100000746031 [0,1,0,0,0,0|2,1,0]=4 2441 B13R1.27 FCCCCSCc1cc(cs1)Br 62a_100000746031_100000729493 [0,1,0,0,0,0|2,1,0]=4 2442 B13R1.27 FCCCCSCc1cc(no1)Br 62a_100000709089_100000729493 [0,1,0,0,0,0|3,0,0]=4 2443 B13R1.27 FCCCCSCc1cc(no1)Br 62a_100000729493_100000709089 [0,1,0,0,0,0|3,0,0]=4 2444 B13R1.27 FCCCCSCc1ccc(s1)Br 62a_100000708592_100000729493 [0,1,0,0,0,0|2,1,0]=4 2445 B13R1.27 FCCCCSCc1ccc(s1)Br 62a_100000729493_100000708592 [0,1,0,0,0,0|2,1,0]=4 2446 B13R1.27 FCCCCSCc1ccc(s1)Cl 62a_100000185097_100000729493 [0,1,0,0,0,0|2,1,0]=4 2447 B13R1.27 FCCCCSCc1ccc(s1)Cl 62a_100000729493_100000185097 [0,1,0,0,0,0|2,1,0]=4 2448 B13R1.27 FCCCNCCc1ccc(s1)Br 2230a_100000217605_100011934791 [0,1,0,0,0,0|2,1,0]=4 2449 B13R1.27 FCCCOCCc1cc(no1)Br 34a_100009816916_100011934791 [0,1,0,0,0,0|3,0,0]=4 2450 B13R1.27 N#CCCCOCc1ccc(o1)Br 7a_100000246276_100000687738 [0,1,0,0,0,0|2,0,1]=4 2451 B13R1.27 NCCCCOCc1cc(cs1)Br 34a_100000750430_100000746031 [0,1,0,0,0,0|2,1,0]=4 2452 B13R1.27 NCCCCOCc1ccc(s1)Br 34a_100000750430_100000708592 [0,1,0,0,0,0|2,1,0]=4 2453 B13R1.27 NCCCCOCc1ccc(s1)Cl 34a_100000750430_100000185097 [0,1,0,0,0,0|2,1,0]=4 2454 B13R1.27 O=CCCCOCc1ccc(o1)Br 7a_100000246276_200011292268 [0,1,0,0,0,0|2,0,1]=4 2455 B13R1.27 OCCCCCSc1ccc(s1)Br 62a_100000746330_100010197418 [0,1,0,0,0,0|2,1,0]=4 2456 B13R1.27 OCCCCCSc1ccc(s1)Br 62a_100010197418_100000746330 [0,1,0,0,0,0|2,1,0]=4 2457 B13R1.27 OCCCCNCc1cc(c[nH]1)Br 270004a_100000750430_100000720742 [0,1,0,0,0,0|3,0,0]=4 2458 B13R1.27 OCCCCNCc1cc(co1)Br 270004a_100000750430_100000747035 [0,1,0,0,0,0|2,0,0]=3 2459 B13R1.27 OCCCCNCc1cc(cs1)Br 207a_100000750430_100000211722 [0,1,0,0,0,0|2,1,0]=4 2460 B13R1.27 OCCCCNCc1cc(cs1)Br 2230a_100000741024_100000210776 [0,1,0,0,0,0|2,1,0]=4 2461 B13R1.27 OCCCCNCc1cc(cs1)Br 2230a_100000750430_100000746031 [0,1,0,0,0,0|2,1,0]=4 2462 B13R1.27 OCCCCNCc1cc(cs1)Br 270004a_100000750430_100000211722 [0,1,0,0,0,0|2,1,0]=4 2463 B13R1.27 OCCCCNCc1cc(cs1)Br 34a_100000741024_100011216708 [0,1,0,0,0,0|2,1,0]=4 2464 B13R1.27 OCCCCNCc1cc(cs1)Br 34a_100000750430_100000746031 [0,1,0,0,0,0|2,1,0]=4 2465 B13R1.27 OCCCCNCc1cc(cs1)Cl 207a_100000750430_100000102487 [0,1,0,0,0,0|2,1,0]=4 2466 B13R1.27 OCCCCNCc1cc(cs1)Cl 270004a_100000750430_100000102487 [0,1,0,0,0,0|2,1,0]=4 2467 B13R1.27 OCCCCNCc1cc(cs1)I 207a_100000750430_100010179861 [0,1,0,0,0,0|2,1,0]=4 2468 B13R1.27 OCCCCNCc1cc(no1)Br 2230a_100015193020_100000210776 [0,1,0,0,0,0|3,0,0]=4 2469 B13R1.27 OCCCCNCc1cc(no1)Br 270004a_100000750430_100009819588 [0,1,0,0,0,0|3,0,0]=4 2470 B13R1.27 OCCCCNCc1cc(no1)Br 34a_100015193020_100011216708 [0,1,0,0,0,0|3,0,0]=4 2471 B13R1.27 OCCCCNCc1ccc(o1)Br 207a_100000750430_100000185145 [0,1,0,0,0,0|2,0,0]=3 2472 B13R1.27 OCCCCNCc1ccc(o1)Br 270004a_100000750430_100000185145 [0,1,0,0,0,0|2,0,0]=3 2473 B13R1.27 OCCCCNCc1ccc(o1)Br 34a_100000708654_100011216708 [0,1,0,0,0,0|2,0,0]=3 2474 B13R1.27 OCCCCNCc1ccc(o1)Cl 207a_100000750430_100000188459 [0,1,0,0,0,0|2,0,0]=3 2475 B13R1.27 OCCCCNCc1ccc(o1)Cl 270004a_100000750430_100000188459 [0,1,0,0,0,0|2,0,0]=3 2476 B13R1.27 OCCCCNCc1ccc(o1)I 207a_100000750430_100000186757 [0,1,0,0,0,0|2,0,0]=3 2477 B13R1.27 OCCCCNCc1ccc(s1)Br 207a_100000750430_100000179771 [0,1,0,0,0,0|2,1,0]=4 2478 B13R1.27 OCCCCNCc1ccc(s1)Br 2230a_100000750430_100000708592 [0,1,0,0,0,0|2,1,0]=4 2479 B13R1.27 OCCCCNCc1ccc(s1)Br 270004a_100000750430_100000179771 [0,1,0,0,0,0|2,1,0]=4 2480 B13R1.27 OCCCCNCc1ccc(s1)Br 34a_100000750430_100000708592 [0,1,0,0,0,0|2,1,0]=4 2481 B13R1.27 OCCCCNCc1ccc(s1)Cl 207a_100000750430_100000242774 [0,1,0,0,0,0|2,1,0]=4 2482 B13R1.27 OCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000210776 [0,1,0,0,0,0|2,1,0]=4 2483 B13R1.27 OCCCCNCc1ccc(s1)Cl 2230a_100000750430_100000185097 [0,1,0,0,0,0|2,1,0]=4 2484 B13R1.27 OCCCCNCc1ccc(s1)Cl 270004a_100000750430_100000242774 [0,1,0,0,0,0|2,1,0]=4 2485 B13R1.27 OCCCCNCc1ccc(s1)Cl 34a_100000750430_100000185097 [0,1,0,0,0,0|2,1,0]=4 2486 B13R1.27 OCCCCOCc1cc(cs1)Br 34a_100000238369_100011216708 [0,1,0,0,0,0|2,1,0]=4 2487 B13R1.27 OCCCCOCc1cc(cs1)Br 7a_100000238369_100000210776 [0,1,0,0,0,0|2,1,0]=4 2488 B13R1.27 OCCCCOCc1cc(no1)Br 34a_100009816691_100011216708 [0,1,0,0,0,0|3,0,0]=4 2489 B13R1.27 OCCCCOCc1ccc(o1)Br 34a_100000246276_100011216708 [0,1,0,0,0,0|2,0,0]=3 2490 B13R1.27 OCCCCOCc1ccc(o1)Br 7a_100000246276_100000210776 [0,1,0,0,0,0|2,0,0]=3 2491 B13R1.27 OCCCCSCc1cc(cs1)Br 62a_100000210776_100000746031 [0,1,0,0,0,0|2,1,0]=4 2492 B13R1.27 OCCCCSCc1cc(cs1)Br 62a_100000746031_100000210776 [0,1,0,0,0,0|2,1,0]=4 2493 B13R1.27 OCCCCSCc1cc(no1)Br 62a_100000210776_100000709089 [0,1,0,0,0,0|3,0,0]=4 2494 B13R1.27 OCCCCSCc1cc(no1)Br 62a_100000709089_100000210776 [0,1,0,0,0,0|3,0,0]=4 2495 B13R1.27 OCCCCSCc1ccc(s1)Br 62a_100000210776_100000708592 [0,1,0,0,0,0|2,1,0]=4 2496 B13R1.27 OCCCCSCc1ccc(s1)Br 62a_100000708592_100000210776 [0,1,0,0,0,0|2,1,0]=4 2497 B13R1.27 OCCCCSCc1ccc(s1)Cl 62a_100000185097_100000210776 [0,1,0,0,0,0|2,1,0]=4 2498 B13R1.27 OCCCCSCc1ccc(s1)Cl 62a_100000210776_100000185097 [0,1,0,0,0,0|2,1,0]=4 2499 B13R1.27 OCCCNCCc1ccc(s1)Br 2230a_100000217605_100000230001 [0,1,0,0,0,0|2,1,0]=4 2500 B13R1.27 OCCCOCCc1cc(no1)Br 34a_100009816916_100000230001 [0,1,0,0,0,0|3,0,0]=4 2501 B13R1.48 C#CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000731252 [0,1,0,0,0,0|1,0,2]=4 2502 B13R1.48 C#CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000695029 [0,1,0,0,0,0|1,0,2]=4 2503 B13R1.48 C#CCCCO[C@@H](C)c1ccco1 7a_100000755270_100011215417 [0,1,0,0,0,0|1,0,2]=4 2504 B13R1.48 C#CCCNCC(O)c1ccco1 2230a_100000738650_100000688953 [0,1,0,0,0,0|1,0,2]=4 2505 B13R1.48 C=CCCCN[C@H](C)c1ccco1 2230a_100160469435_100011713584 [0,1,0,0,0,0|1,0,2]=4 2506 B13R1.48 C=CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000757094 [0,1,0,0,0,0|1,0,2]=4 2507 B13R1.48 C=CCCCO[C@@H](C)c1ccco1 7a_100000755270_100000757094 [0,1,0,0,0,0|1,0,2]=4 2508 B13R1.48 C=CCCNCC(O)c1ccco1 2230a_100000738650_100000754431 [0,1,0,0,0,0|1,0,2]=4 2509 B13R1.48 CC#CCNCC(O)c1ccco1 2230a_100000738650_100000748600 [0,1,0,0,0,0|1,0,2]=4 2510 B13R1.48 CC(NCCCCF)c1cccs1 2230a_100000703493_100000729493 [0,1,0,0,0,0|2,1,0]=4 2511 B13R1.48 CC(NCCCCO)c1ccc[nH]1 269862a_100000750430_100000183661 [0,1,0,0,0,0|3,0,0]=4 2512 B13R1.48 CC(NCCCCO)c1cccs1 2230a_100000703493_100000210776 [0,1,0,0,0,0|2,1,0]=4 2513 B13R1.48 CC(NCCCCO)c1cccs1 269862a_100000750430_100000185736 [0,1,0,0,0,0|2,1,0]=4 2514 B13R1.48 CC/C=C\CN[C@H](C)c1ccco1 2230a_100160469435_100103147603 [0,1,0,0,0,0|1,0,2]=4 2515 B13R1.48 CC/C=C\CO[C@@H](C)c1ccco1 34a_100000755270_100103147603 [0,1,0,0,0,0|1,0,2]=4 2516 B13R1.48 CC/C=C\CO[C@@H](C)c1ccco1 7a_100000755270_100103147603 [0,1,0,0,0,0|1,0,2]=4 2517 B13R1.48 CC=CCNCC(O)c1ccco1 2230a_100000738650_100000070051 [0,1,0,0,0,0|1,0,2]=4 2518 B13R1.48 CCC#CCN[C@H](C)c1ccco1 2230a_100160469435_100009813939 [0,1,0,0,0,0|1,0,2]=4 2519 B13R1.48 CCC#CCO[C@@H](C)c1ccco1 34a_100000755270_100009813939 [0,1,0,0,0,0|1,0,2]=4 2520 B13R1.48 CCC#CCO[C@@H](C)c1ccco1 7a_100000755270_100009813939 [0,1,0,0,0,0|1,0,2]=4 2521 B13R1.48 CCCCCCC(C)N1CC=CC1 269982a_100015195280_100011215978 [0,1,0,0,0,0|2,0,1]=4 2522 B13R1.48 CCCCCNC(C)c1cc[nH]c1 269862a_100000209983_100000753940 [0,1,0,0,0,0|3,0,0]=4 2523 B13R1.48 CCCCCNC(C)c1ccc[nH]1 269862a_100000209983_100000183661 [0,1,0,0,0,0|2,0,0]=3 2524 B13R1.48 CCCCCNC(C)c1cccs1 2230a_100000703493_100000210326 [0,1,0,0,0,0|1,1,0]=3 2525 B13R1.48 CCCCCNC(C)c1cccs1 269862a_100000209983_100000185736 [0,1,0,0,0,0|1,1,0]=3 2526 B13R1.48 CCCCCNC(C)c1ccn[nH]1 269862a_100000209983_100000747476 [0,1,0,0,0,0|3,0,0]=4 2527 B13R1.48 CCCCCNC(C)c1ccoc1 2230a_100000690049_100000210326 [0,1,0,0,0,0|3,0,0]=4 2528 B13R1.48 CCCCCNC(C)c1ccsc1 2230a_100000748604_100000210326 [0,1,0,0,0,0|3,0,0]=4 2529 B13R1.48 CCCCCNC(C)c1ccsc1 269862a_100000209983_100000747891 [0,1,0,0,0,0|3,0,0]=4 2530 B13R1.48 CCCCCNC(C)c1cscn1 269862a_100000209983_100000693406 [0,1,0,0,0,0|3,0,0]=4 2531 B13R1.48 CCCCCNC(C)c1ncc[nH]1 269862a_100000209983_100000718901 [0,1,0,0,0,0|3,0,0]=4 2532 B13R1.48 CCCCCNC(C)c1nccs1 2230a_100000725601_100000210326 [0,1,0,0,0,0|2,1,0]=4 2533 B13R1.48 CCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210326 [0,1,0,0,0,0|1,0,0]=2 2534 B13R1.48 CCCCCOC(C)c1ccsc1 34a_100011350980_100000718602 [0,1,0,0,0,0|3,0,0]=4 2535 B13R1.48 CCCCCOC(C)c1ccsc1 7a_100011350980_100000210326 [0,1,0,0,0,0|3,0,0]=4 2536 B13R1.48 CCCCCOC(C)c1nccs1 7a_100000751044_100000210326 [0,1,0,0,0,0|2,1,0]=4 2537 B13R1.48 CCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000718602 [0,1,0,0,0,0|1,0,0]=2 2538 B13R1.48 CCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210326 [0,1,0,0,0,0|1,0,0]=2 2539 B13R1.48 CCCCCO[C@H](C)c1cccs1 7a_100000750433_100000210326 [0,1,0,0,0,0|1,1,0]=3 2540 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 7a_106832991798_200011262396 [0,1,0,0,0,0|2,0,1]=4 2541 B13R1.48 CCCCNCC(=O)c1ccco1 7a_106832991798_100000211439 [0,1,0,0,0,0|1,0,1]=3 2542 B13R1.48 CCCCNCC(=O)c1cccs1 2230a_100000102301_100000211436 [0,1,0,0,0,0|1,1,1]=4 2543 B13R1.48 CCCCNCC(=O)c1cccs1 7a_106832991798_100000211436 [0,1,0,0,0,0|1,1,1]=4 2544 B13R1.48 CCCCNCC(O)c1ccco1 2230a_100000738650_100000210211 [0,1,0,0,0,0|1,0,0]=2 2545 B13R1.48 CCCCNCC(O)c1ccsc1 2230a_100000758718_100000210211 [0,1,0,0,0,0|3,0,0]=4 2546 B13R1.48 CCCCNCC(O)c1ccsc1 34a_100000758718_100000210210 [0,1,0,0,0,0|3,0,0]=4 2547 B13R1.48 CCCCNN=C(C)c1ccco1 4a_100025702795_100000210965 [0,1,0,0,0,0|2,0,1]=4 2548 B13R1.48 CCCCOCC(=O)c1ccc[nH]1 7a_100000210227_200011262396 [0,1,0,0,0,0|2,0,1]=4 2549 B13R1.48 CCCCOCC(=O)c1ccco1 7a_100000210227_100000211439 [0,1,0,0,0,0|1,0,1]=3 2550 B13R1.48 CCCCOCC(=O)c1cccs1 7a_100000210227_100000211436 [0,1,0,0,0,0|1,1,1]=4 2551 B13R1.48 CCCCOCC(C)n1cccn1 34a_100011935049_100000210210 [0,1,0,0,0,0|3,0,0]=4 2552 B13R1.48 CCCCOCC(N)c1cccs1 34a_100102422791_100000210210 [0,1,0,0,0,0|1,1,0]=3 2553 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_100000210211_200011262396 [0,1,0,0,0,0|2,0,1]=4 2554 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210210 [0,1,0,0,0,0|2,0,1]=4 2555 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000210211_100000211439 [0,1,0,0,0,0|1,0,1]=3 2556 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000211439_100000210210 [0,1,0,0,0,0|1,0,1]=3 2557 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000210211_100000211436 [0,1,0,0,0,0|1,1,1]=4 2558 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000211436_100000210210 [0,1,0,0,0,0|1,1,1]=4 2559 B13R1.48 CCCOCCC(C)n1cccn1 34a_100000090012_100000210303 [0,1,0,0,0,0|3,0,0]=4 2560 B13R1.48 CCCOCCC(C)n1cccn1 7a_100000090012_100000210303 [0,1,0,0,0,0|3,0,0]=4 2561 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100000210303_100011290775 [0,1,0,0,0,0|1,1,1]=4 2562 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100011290775_100000210303 [0,1,0,0,0,0|1,1,1]=4 2563 B13R1.48 CCOCCNC(C)c1ccc[nH]1 269862a_100011200944_100000183661 [0,1,0,0,0,0|3,0,0]=4 2564 B13R1.48 CCOCCNC(C)c1cccs1 2230a_100000703493_100011215890 [0,1,0,0,0,0|2,1,0]=4 2565 B13R1.48 CCOCCNC(C)c1cccs1 269862a_100011200944_100000185736 [0,1,0,0,0,0|2,1,0]=4 2566 B13R1.48 CCOCCN[C@H](C)c1ccco1 2230a_100160469435_100011215890 [0,1,0,0,0,0|2,0,0]=3 2567 B13R1.48 CCOCCO[C@@H](C)c1ccco1 34a_100000755270_100000210147 [0,1,0,0,0,0|2,0,0]=3 2568 B13R1.48 CCOCCO[C@@H](C)c1ccco1 7a_100000755270_100011215890 [0,1,0,0,0,0|2,0,0]=3 2569 B13R1.48 CCOCCO[C@H](C)c1cccs1 7a_100000750433_100011215890 [0,1,0,0,0,0|2,1,0]=4 2570 B13R1.48 CCOCSCC(=O)c1ccco1 62a_100000211439_100000739092 [0,1,0,0,0,0|2,0,1]=4 2571 B13R1.48 CCOCSCC(=O)c1ccco1 62a_100000739092_100000211439 [0,1,0,0,0,0|2,0,1]=4 2572 B13R1.48 CCSCCNC(C)c1ccc[nH]1 269862a_100000106463_100000183661 [0,1,0,0,0,0|3,0,0]=4 2573 B13R1.48 CCSCCNC(C)c1cccs1 2230a_100000703493_100000757381 [0,1,0,0,0,0|2,1,0]=4 2574 B13R1.48 CCSCCNC(C)c1cccs1 269862a_100000106463_100000185736 [0,1,0,0,0,0|2,1,0]=4 2575 B13R1.48 CCSCCN[C@H](C)c1ccco1 2230a_100160469435_100000757381 [0,1,0,0,0,0|2,0,0]=3 2576 B13R1.48 CCSCCO[C@@H](C)c1ccco1 34a_100000755270_100000757381 [0,1,0,0,0,0|2,0,0]=3 2577 B13R1.48 CCSCCO[C@@H](C)c1ccco1 7a_100000755270_100000757381 [0,1,0,0,0,0|2,0,0]=3 2578 B13R1.48 CCSCCO[C@H](C)c1cccs1 7a_100000750433_100000757381 [0,1,0,0,0,0|2,1,0]=4 2579 B13R1.48 CNCCCNC(=O)c1ccco1 34a_100025751042_200000210301 [0,1,0,0,0,0|2,0,1]=4 2580 B13R1.48 COCCCNC(C)c1ccc[nH]1 269862a_100150723488_100000183661 [0,1,0,0,0,0|3,0,0]=4 2581 B13R1.48 COCCCNC(C)c1cccs1 2230a_100000703493_100000740836 [0,1,0,0,0,0|2,1,0]=4 2582 B13R1.48 COCCCNC(C)c1cccs1 269862a_100150723488_100000185736 [0,1,0,0,0,0|2,1,0]=4 2583 B13R1.48 COCCCN[C@H](C)c1ccco1 2230a_100160469435_100000740836 [0,1,0,0,0,0|2,0,0]=3 2584 B13R1.48 COCCCO[C@@H](C)c1ccco1 34a_100000755270_100000740836 [0,1,0,0,0,0|2,0,0]=3 2585 B13R1.48 COCCCO[C@@H](C)c1ccco1 7a_100000755270_100000740836 [0,1,0,0,0,0|2,0,0]=3 2586 B13R1.48 COCCCO[C@H](C)c1cccs1 7a_100000750433_100000740836 [0,1,0,0,0,0|2,1,0]=4 2587 B13R1.48 COCCNCC(O)c1ccco1 2230a_100000738650_100011201679 [0,1,0,0,0,0|2,0,0]=3 2588 B13R1.48 COCCOCC(N)c1cccs1 34a_100102422791_100011201679 [0,1,0,0,0,0|2,1,0]=4 2589 B13R1.48 COCCSCC(=O)c1ccco1 62a_100000211439_100000233755 [0,1,0,0,0,0|2,0,1]=4 2590 B13R1.48 COCCSCC(=O)c1ccco1 62a_100000233755_100000211439 [0,1,0,0,0,0|2,0,1]=4 2591 B13R1.48 CSCCCNC(C)c1ccc[nH]1 269862a_100000749238_100000183661 [0,1,0,0,0,0|3,0,0]=4 2592 B13R1.48 CSCCCNC(C)c1cccs1 269862a_100000749238_100000185736 [0,1,0,0,0,0|2,1,0]=4 2593 B13R1.48 CSCCNCC(O)c1ccco1 2230a_100000738650_100000751147 [0,1,0,0,0,0|2,0,0]=3 2594 B13R1.48 CSCCOCC(=O)c1ccco1 7a_100000230434_100000211439 [0,1,0,0,0,0|2,0,1]=4 2595 B13R1.48 CSCCOCC(N)c1cccs1 34a_100102422791_100000212216 [0,1,0,0,0,0|2,1,0]=4 2596 B13R1.48 CSCCSCC(=O)c1ccco1 62a_100000211439_100000751147 [0,1,0,0,0,0|2,0,1]=4 2597 B13R1.48 CSCCSCC(=O)c1ccco1 62a_100000212216_100000211439 [0,1,0,0,0,0|2,0,1]=4 2598 B13R1.48 C[C@@H](NCCCC#N)c1ccco1 2230a_100160469435_100000687738 [0,1,0,0,0,0|2,0,1]=4 2599 B13R1.48 C[C@@H](NCCCC=O)c1ccco1 2230a_100160469435_200011292268 [0,1,0,0,0,0|2,0,1]=4 2600 B13R1.48 C[C@@H](NCCCCF)c1ccco1 2230a_100160469435_100000729493 [0,1,0,0,0,0|2,0,0]=3 2601 B13R1.48 C[C@@H](NCCCCO)c1ccco1 2230a_100160469435_100000210776 [0,1,0,0,0,0|2,0,0]=3 2602 B13R1.48 C[C@@H](OCCCCF)c1cccs1 7a_100000750433_100000729493 [0,1,0,0,0,0|2,1,0]=4 2603 B13R1.48 C[C@@H](OCCCCO)c1cccs1 7a_100000750433_100000210776 [0,1,0,0,0,0|2,1,0]=4 2604 B13R1.48 C[C@H](OCCCC#N)c1ccco1 7a_100000755270_100000687738 [0,1,0,0,0,0|2,0,1]=4 2605 B13R1.48 C[C@H](OCCCC=O)c1ccco1 7a_100000755270_200011292268 [0,1,0,0,0,0|2,0,1]=4 2606 B13R1.48 C[C@H](OCCCCF)c1ccco1 34a_100000755270_100000729493 [0,1,0,0,0,0|2,0,0]=3 2607 B13R1.48 C[C@H](OCCCCF)c1ccco1 7a_100000755270_100000729493 [0,1,0,0,0,0|2,0,0]=3 2608 B13R1.48 C[C@H](OCCCCO)c1ccco1 34a_100000755270_100011216708 [0,1,0,0,0,0|2,0,0]=3 2609 B13R1.48 C[C@H](OCCCCO)c1ccco1 7a_100000755270_100000210776 [0,1,0,0,0,0|2,0,0]=3 2610 B13R1.48 N#CCCNCC(O)c1ccco1 2230a_100000738650_100011215226 [0,1,0,0,0,0|2,0,1]=4 2611 B13R1.48 NC(COCCCF)c1cccs1 34a_100102422791_100011934791 [0,1,0,0,0,0|2,1,0]=4 2612 B13R1.48 NC(COCCCO)c1cccs1 34a_100102422791_100000230001 [0,1,0,0,0,0|2,1,0]=4 2613 B13R1.48 O=C(CSCCCF)c1ccco1 62a_100000211439_100011934791 [0,1,0,0,0,0|2,0,1]=4 2614 B13R1.48 O=C(CSCCCF)c1ccco1 62a_100011934791_100000211439 [0,1,0,0,0,0|2,0,1]=4 2615 B13R1.48 O=C(CSCCCO)c1ccco1 62a_100000211439_100011215043 [0,1,0,0,0,0|2,0,1]=4 2616 B13R1.48 O=C(CSCCCO)c1ccco1 62a_100011215043_100000211439 [0,1,0,0,0,0|2,0,1]=4 2617 B13R1.48 OC(CNCCCF)c1ccco1 2230a_100000738650_100011934791 [0,1,0,0,0,0|2,0,0]=3 2618 B13R1.48 OCCCNCC(O)c1ccco1 2230a_100000738650_100000230001 [0,1,0,0,0,0|2,0,0]=3 2619 B13R1.48 [13CH3]NCCCNC(=O)c1ccco1 34a_100025751042_200025704644 [0,1,0,0,0,0|2,0,1]=4 2620 B13R1.119 BrCCCCCOCc1c[nH]cn1 34a_100000746331_100000707719 [0,1,0,0,0,0|3,0,0]=4 2621 B13R1.119 BrCCCCCOCc1ccn[nH]1 34a_100000746331_100000728653 [0,1,0,0,0,0|3,0,0]=4 2622 B13R1.119 BrCCCCCOCc1ccn[nH]1 7a_100000746331_100000728653 [0,1,0,0,0,0|3,0,0]=4 2623 B13R1.119 BrCCCCCOCc1ccon1 34a_100000746331_100000234950 [0,1,0,0,0,0|3,0,0]=4 2624 B13R1.119 BrCCCCCOCc1ccon1 7a_100000746331_100000234950 [0,1,0,0,0,0|3,0,0]=4 2625 B13R1.119 BrCCCCCOCc1ccsc1 34a_100000746331_100011261437 [0,1,0,0,0,0|3,0,0]=4 2626 B13R1.119 BrCCCCCOCc1ccsc1 7a_100000746331_100011261437 [0,1,0,0,0,0|3,0,0]=4 2627 B13R1.119 BrCCCCCOCc1cncs1 34a_100000746331_100015185245 [0,1,0,0,0,0|2,1,0]=4 2628 B13R1.119 BrCCCCCOCc1cncs1 7a_100000746331_100015185245 [0,1,0,0,0,0|2,1,0]=4 2629 B13R1.119 BrCCCCCOCc1cscn1 34a_100000746331_100000205941 [0,1,0,0,0,0|3,0,0]=4 2630 B13R1.119 BrCCCCCOCc1cscn1 7a_100000746331_100000205941 [0,1,0,0,0,0|3,0,0]=4 2631 B13R1.119 BrCCCCCOCc1ncc[nH]1 34a_100000746331_100016991755 [0,1,0,0,0,0|3,0,0]=4 2632 B13R1.119 BrCCCCCOCc1ncc[nH]1 7a_100000746331_100000753453 [0,1,0,0,0,0|3,0,0]=4 2633 B13R1.119 BrCCCCCOCc1ncco1 34a_100000746331_103436540062 [0,1,0,0,0,0|2,0,0]=3 2634 B13R1.119 BrCCCCCOCc1ncco1 7a_100000746331_103436540062 [0,1,0,0,0,0|2,0,0]=3 2635 B13R1.119 BrCCCCCOCc1nccs1 34a_100000746331_100015184050 [0,1,0,0,0,0|2,1,0]=4 2636 B13R1.119 BrCCCCCOCc1nccs1 7a_100000746331_100015184050 [0,1,0,0,0,0|2,1,0]=4 2637 B13R1.119 BrCCCCOCCc1cccs1 34a_100011216708_100000748579 [0,1,0,0,0,0|1,1,0]=3 2638 B13R1.119 BrCCCCOCCn1cccn1 34a_100011216708_100015204718 [0,1,0,0,0,0|3,0,0]=4 2639 B13R1.119 BrCCCOCCCc1cccs1 34a_100011217188_100010992444 [0,1,0,0,0,0|1,1,0]=3 2640 B13R1.119 BrCCCOCCCn1cccc1 34a_100011217188_200009814367 [0,1,0,0,0,0|3,0,0]=4 2641 B13R1.119 BrCCOCCOCc1ncco1 34a_100000692535_103436540062 [0,1,0,0,0,0|3,0,0]=4 2642 B13R1.119 BrCCOCCOCc1ncco1 7a_100000692535_103436540062 [0,1,0,0,0,0|3,0,0]=4 2643 B13R1.119 C#CCCCCCSc1ccco1 62a_100009814098_100012094781 [0,1,0,0,0,0|0,0,2]=3 2644 B13R1.119 C#CCCCCCSc1ccco1 62a_100012094781_100009814098 [0,1,0,0,0,0|0,0,2]=3 2645 B13R1.119 C#CCCCCCSc1cccs1 62a_100011215356_100012094781 [0,1,0,0,0,0|0,1,2]=4 2646 B13R1.119 C#CCCCCCSc1cccs1 62a_100012094781_100011215356 [0,1,0,0,0,0|0,1,2]=4 2647 B13R1.119 C#CCCCCCSc1cnco1 62a_100012094781_100020591547 [0,1,0,0,0,0|1,0,2]=4 2648 B13R1.119 C#CCCCCCSc1cnco1 62a_100020591547_100012094781 [0,1,0,0,0,0|1,0,2]=4 2649 B13R1.119 C#CCCCCCSc1ncco1 62a_100011787736_100012094781 [0,1,0,0,0,0|1,0,2]=4 2650 B13R1.119 C#CCCCCCSc1ncco1 62a_100012094781_100011787736 [0,1,0,0,0,0|1,0,2]=4 2651 B13R1.119 C#CCCCCNCc1ccco1 207a_100000706060_100000186105 [0,1,0,0,0,0|0,0,2]=3 2652 B13R1.119 C#CCCCCNCc1ccco1 2230a_100000185738_100010269958 [0,1,0,0,0,0|0,0,2]=3 2653 B13R1.119 C#CCCCCNCc1ccco1 34a_100000185738_100010269958 [0,1,0,0,0,0|0,0,2]=3 2654 B13R1.119 C#CCCCCNCc1cccs1 207a_100000706060_100000209959 [0,1,0,0,0,0|0,1,2]=4 2655 B13R1.119 C#CCCCCNCc1cccs1 2230a_100000211653_100010269958 [0,1,0,0,0,0|0,1,2]=4 2656 B13R1.119 C#CCCCCNCc1ncco1 2230a_100000706060_103436540062 [0,1,0,0,0,0|1,0,2]=4 2657 B13R1.119 C#CCCCCNCc1ncco1 2230a_100016994969_100010269958 [0,1,0,0,0,0|1,0,2]=4 2658 B13R1.119 C#CCCCCNCc1ncco1 34a_100000706060_103436540062 [0,1,0,0,0,0|1,0,2]=4 2659 B13R1.119 C#CCCCCOCc1ccco1 34a_100000210059_100010269958 [0,1,0,0,0,0|0,0,2]=3 2660 B13R1.119 C#CCCCCOCc1cccs1 34a_100000211240_100010269958 [0,1,0,0,0,0|0,1,2]=4 2661 B13R1.119 C#CCCCCOCc1ccno1 34a_100000740478_100010269958 [0,1,0,0,0,0|1,0,2]=4 2662 B13R1.119 C#CCCCCOCc1ncco1 34a_100000062594_100010269958 [0,1,0,0,0,0|1,0,2]=4 2663 B13R1.119 C#CCCCCOCc1ncco1 34a_100000766709_103436540062 [0,1,0,0,0,0|1,0,2]=4 2664 B13R1.119 C#CCCCCOCc1ncco1 7a_100000766709_103436540062 [0,1,0,0,0,0|1,0,2]=4 2665 B13R1.119 C#CCCCCSCc1ncco1 62a_100010269958_103436540062 [0,1,0,0,0,0|1,0,2]=4 2666 B13R1.119 C#CCCCCSCc1ncco1 62a_103436540062_100010269958 [0,1,0,0,0,0|1,0,2]=4 2667 B13R1.119 C#CCCCNCCc1ccco1 2230a_100000694680_100000731252 [0,1,0,0,0,0|0,0,2]=3 2668 B13R1.119 C#CCCCNCCc1ccco1 34a_100000694680_100000695029 [0,1,0,0,0,0|0,0,2]=3 2669 B13R1.119 C#CCCCNCCc1cccs1 2230a_100000203755_100000731252 [0,1,0,0,0,0|0,1,2]=4 2670 B13R1.119 C#CCCCNCCc1cccs1 34a_100000203755_100000695029 [0,1,0,0,0,0|0,1,2]=4 2671 B13R1.119 C#CCCCNCCc1cccs1 34a_100000718082_100000748579 [0,1,0,0,0,0|0,1,2]=4 2672 B13R1.119 C#CCCCOCCc1cccs1 34a_100000215630_100000748579 [0,1,0,0,0,0|0,1,2]=4 2673 B13R1.119 C#CCCCOCCc1cccs1 34a_100011216825_100000695029 [0,1,0,0,0,0|0,1,2]=4 2674 B13R1.119 C#CCCCOCCc1cccs1 7a_100000215630_100000748579 [0,1,0,0,0,0|0,1,2]=4 2675 B13R1.119 C#CCCCOCCc1cccs1 7a_100011216825_100011215417 [0,1,0,0,0,0|0,1,2]=4 2676 B13R1.119 C#CCCCSCCc1cccs1 62a_100000748579_100011215417 [0,1,0,0,0,0|0,1,2]=4 2677 B13R1.119 C#CCCCSCCc1cccs1 62a_100011215417_100000748579 [0,1,0,0,0,0|0,1,2]=4 2678 B13R1.119 C#CCCNCCCc1cccs1 34a_100000755551_100010992444 [0,1,0,0,0,0|0,1,2]=4 2679 B13R1.119 C#CCCOCCCc1cccs1 34a_100011215631_100010992444 [0,1,0,0,0,0|0,1,2]=4 2680 B13R1.119 C#CCCOCCCc1cccs1 34a_100011713143_100000688953 [0,1,0,0,0,0|0,1,2]=4 2681 B13R1.119 C#CCCOCCCc1cccs1 7a_100011713143_100000688953 [0,1,0,0,0,0|0,1,2]=4 2682 B13R1.119 C#CCCSCCCc1cccs1 62a_100000688953_100010992444 [0,1,0,0,0,0|0,1,2]=4 2683 B13R1.119 C#CCCSCCCc1cccs1 62a_100010992444_100000688953 [0,1,0,0,0,0|0,1,2]=4 2684 B13R1.119 C#CCNCCSCc1ccco1 2230a_100000184675_100000038162 [0,1,0,0,0,0|1,0,2]=4 2685 B13R1.119 C#CCNCCSCc1ccco1 7a_100000184675_100000038162 [0,1,0,0,0,0|1,0,2]=4 2686 B13R1.119 C#CCOCCNCc1ccco1 2230a_100000185738_100010402529 [0,1,0,0,0,0|1,0,2]=4 2687 B13R1.119 C#CCOCCNCc1ccco1 34a_100000185738_100010402529 [0,1,0,0,0,0|1,0,2]=4 2688 B13R1.119 C#CCOCCOCc1ccco1 34a_100000210059_100010402529 [0,1,0,0,0,0|1,0,2]=4 2689 B13R1.119 C/C=C/CCOCCc1cccs1 34a_100016278192_100000748579 [0,1,0,0,0,0|0,1,2]=4 2690 B13R1.119 C/C=C/COCCCc1cccs1 34a_100011713143_100102629194 [0,1,0,0,0,0|0,1,2]=4 2691 B13R1.119 C/C=C/COCCCc1cccs1 34a_100016270725_100010992444 [0,1,0,0,0,0|0,1,2]=4 2692 B13R1.119 C/C=C/COCCCc1cccs1 7a_100011713143_100102629194 [0,1,0,0,0,0|0,1,2]=4 2693 B13R1.119 C/C=C/CSCCCc1cccs1 62a_100010992444_100102629194 [0,1,0,0,0,0|0,1,2]=4 2694 B13R1.119 C/C=C/CSCCCc1cccs1 62a_100102629194_100010992444 [0,1,0,0,0,0|0,1,2]=4 2695 B13R1.119 C=CCCCCCSc1ccco1 62a_100000700193_100009814098 [0,1,0,0,0,0|0,0,2]=3 2696 B13R1.119 C=CCCCCCSc1ccco1 62a_100009814098_100000700193 [0,1,0,0,0,0|0,0,2]=3 2697 B13R1.119 C=CCCCCCSc1cccs1 62a_100000700193_100011215356 [0,1,0,0,0,0|0,1,2]=4 2698 B13R1.119 C=CCCCCCSc1cccs1 62a_100011215356_100000700193 [0,1,0,0,0,0|0,1,2]=4 2699 B13R1.119 C=CCCCCCSc1cnco1 62a_100000700193_100020591547 [0,1,0,0,0,0|1,0,2]=4 2700 B13R1.119 C=CCCCCCSc1cnco1 62a_100020591547_100000700193 [0,1,0,0,0,0|1,0,2]=4 2701 B13R1.119 C=CCCCCCSc1ncco1 62a_100000700193_100011787736 [0,1,0,0,0,0|1,0,2]=4 2702 B13R1.119 C=CCCCCCSc1ncco1 62a_100011787736_100000700193 [0,1,0,0,0,0|1,0,2]=4 2703 B13R1.119 C=CCCCCNCc1ccco1 207a_100000703577_100000186105 [0,1,0,0,0,0|0,0,2]=3 2704 B13R1.119 C=CCCCCNCc1ccco1 2230a_100000185738_100011215482 [0,1,0,0,0,0|0,0,2]=3 2705 B13R1.119 C=CCCCCNCc1ccco1 270004a_100000703577_100000186105 [0,1,0,0,0,0|0,0,2]=3 2706 B13R1.119 C=CCCCCNCc1ccco1 34a_100000185738_100011215482 [0,1,0,0,0,0|0,0,2]=3 2707 B13R1.119 C=CCCCCNCc1cccs1 207a_100000703577_100000209959 [0,1,0,0,0,0|0,1,2]=4 2708 B13R1.119 C=CCCCCNCc1cccs1 2230a_100000211653_100011215482 [0,1,0,0,0,0|0,1,2]=4 2709 B13R1.119 C=CCCCCNCc1cccs1 270004a_100000703577_100000209959 [0,1,0,0,0,0|0,1,2]=4 2710 B13R1.119 C=CCCCCNCc1cnco1 270004a_100000703577_100000064291 [0,1,0,0,0,0|1,0,2]=4 2711 B13R1.119 C=CCCCCNCc1ncco1 2230a_100000703577_103436540062 [0,1,0,0,0,0|1,0,2]=4 2712 B13R1.119 C=CCCCCNCc1ncco1 2230a_100016994969_100011215482 [0,1,0,0,0,0|1,0,2]=4 2713 B13R1.119 C=CCCCCNCc1ncco1 270004a_100000703577_100000064290 [0,1,0,0,0,0|1,0,2]=4 2714 B13R1.119 C=CCCCCNCc1ncco1 34a_100000703577_103436540062 [0,1,0,0,0,0|1,0,2]=4 2715 B13R1.119 C=CCCCCOCc1ccco1 34a_100000210059_100011215482 [0,1,0,0,0,0|0,0,2]=3 2716 B13R1.119 C=CCCCCOCc1cccs1 34a_100000211240_100011215482 [0,1,0,0,0,0|0,1,2]=4 2717 B13R1.119 C=CCCCCOCc1ccno1 34a_100000740478_100011215482 [0,1,0,0,0,0|1,0,2]=4 2718 B13R1.119 C=CCCCCOCc1ncco1 34a_100000062594_100011215482 [0,1,0,0,0,0|1,0,2]=4 2719 B13R1.119 C=CCCCCOCc1ncco1 34a_100000766645_103436540062 [0,1,0,0,0,0|1,0,2]=4 2720 B13R1.119 C=CCCCCOCc1ncco1 7a_100000766645_103436540062 [0,1,0,0,0,0|1,0,2]=4 2721 B13R1.119 C=CCCCCSCc1ncco1 62a_100011215482_103436540062 [0,1,0,0,0,0|1,0,2]=4 2722 B13R1.119 C=CCCCCSCc1ncco1 62a_103436540062_100011215482 [0,1,0,0,0,0|1,0,2]=4 2723 B13R1.119 C=CCCCNCCc1ccco1 2230a_100000694680_100011713584 [0,1,0,0,0,0|0,0,2]=3 2724 B13R1.119 C=CCCCNCCc1ccco1 34a_100000694680_100000757094 [0,1,0,0,0,0|0,0,2]=3 2725 B13R1.119 C=CCCCNCCc1cccs1 2230a_100000203755_100011713584 [0,1,0,0,0,0|0,1,2]=4 2726 B13R1.119 C=CCCCNCCc1cccs1 2230a_100000700776_100000748579 [0,1,0,0,0,0|0,1,2]=4 2727 B13R1.119 C=CCCCNCCc1cccs1 34a_100000203755_100000757094 [0,1,0,0,0,0|0,1,2]=4 2728 B13R1.119 C=CCCCNCCc1cccs1 34a_100000700776_100000748579 [0,1,0,0,0,0|0,1,2]=4 2729 B13R1.119 C=CCCCOCCc1cccs1 34a_100000758997_100000748579 [0,1,0,0,0,0|0,1,2]=4 2730 B13R1.119 C=CCCCOCCc1cccs1 34a_100011216825_100000757094 [0,1,0,0,0,0|0,1,2]=4 2731 B13R1.119 C=CCCCOCCc1cccs1 7a_100000758997_100000748579 [0,1,0,0,0,0|0,1,2]=4 2732 B13R1.119 C=CCCCOCCc1cccs1 7a_100011216825_100000757094 [0,1,0,0,0,0|0,1,2]=4 2733 B13R1.119 C=CCCCSCCc1cccs1 62a_100000748579_100000757094 [0,1,0,0,0,0|0,1,2]=4 2734 B13R1.119 C=CCCCSCCc1cccs1 62a_100011713584_100000748579 [0,1,0,0,0,0|0,1,2]=4 2735 B13R1.119 C=CCCNCCCc1cccs1 2230a_100015191253_100010992444 [0,1,0,0,0,0|0,1,2]=4 2736 B13R1.119 C=CCCOCCCc1cccs1 34a_100011205117_100010992444 [0,1,0,0,0,0|0,1,2]=4 2737 B13R1.119 C=CCCOCCCc1cccs1 34a_100011713143_100000754431 [0,1,0,0,0,0|0,1,2]=4 2738 B13R1.119 C=CCCOCCCc1cccs1 7a_100011713143_100000754431 [0,1,0,0,0,0|0,1,2]=4 2739 B13R1.119 C=CCCSCCCc1cccs1 62a_100000754431_100010992444 [0,1,0,0,0,0|0,1,2]=4 2740 B13R1.119 C=CCCSCCCc1cccs1 62a_100010992444_100000754431 [0,1,0,0,0,0|0,1,2]=4 2741 B13R1.119 C=CCNCCSCc1ccco1 2230a_100000184675_100000210623 [0,1,0,0,0,0|1,0,2]=4 2742 B13R1.119 C=CCNCCSCc1ccco1 7a_100000184675_100015514636 [0,1,0,0,0,0|1,0,2]=4 2743 B13R1.119 C=COCCCNCc1ccco1 207a_100000210767_100000186105 [0,1,0,0,0,0|1,0,2]=4 2744 B13R1.119 C=COCCCNCc1ccco1 270004a_100000210767_100000186105 [0,1,0,0,0,0|1,0,2]=4 2745 B13R1.119 C=COCCNCCc1ccco1 2230a_100000694680_100000039644 [0,1,0,0,0,0|1,0,2]=4 2746 B13R1.119 C=COCCNCCc1ccco1 34a_100000694680_100000039644 [0,1,0,0,0,0|1,0,2]=4 2747 B13R1.119 CC#CCCOCCc1cccs1 34a_100000750427_100000748579 [0,1,0,0,0,0|0,1,2]=4 2748 B13R1.119 CC#CCNCCCc1cccs1 2230a_100000685387_100010992444 [0,1,0,0,0,0|0,1,2]=4 2749 B13R1.119 CC#CCNCCCc1cccs1 34a_100000685387_100010992444 [0,1,0,0,0,0|0,1,2]=4 2750 B13R1.119 CC#CCOCCCc1cccs1 34a_100000761923_100010992444 [0,1,0,0,0,0|0,1,2]=4 2751 B13R1.119 CC#CCOCCCc1cccs1 34a_100011713143_100000748600 [0,1,0,0,0,0|0,1,2]=4 2752 B13R1.119 CC#CCOCCCc1cccs1 7a_100011713143_100000748600 [0,1,0,0,0,0|0,1,2]=4 2753 B13R1.119 CC#CCSCCCc1cccs1 62a_100000748600_100010992444 [0,1,0,0,0,0|0,1,2]=4 2754 B13R1.119 CC#CCSCCCc1cccs1 62a_100010992444_100000748600 [0,1,0,0,0,0|0,1,2]=4 2755 B13R1.119 CC/C=C\CCNCc1ccco1 2230a_100000185738_100015370543 [0,1,0,0,0,0|0,0,2]=3 2756 B13R1.119 CC/C=C\CCNCc1ccco1 34a_100000185738_100015370543 [0,1,0,0,0,0|0,0,2]=3 2757 B13R1.119 CC/C=C\CCNCc1cccs1 2230a_100000211653_100015370543 [0,1,0,0,0,0|0,1,2]=4 2758 B13R1.119 CC/C=C\CCNCc1ncco1 2230a_100016994969_100015370543 [0,1,0,0,0,0|1,0,2]=4 2759 B13R1.119 CC/C=C\CCOCc1ccco1 34a_100000210059_100015370543 [0,1,0,0,0,0|0,0,2]=3 2760 B13R1.119 CC/C=C\CCOCc1cccs1 34a_100000211240_100015370543 [0,1,0,0,0,0|0,1,2]=4 2761 B13R1.119 CC/C=C\CCOCc1ccno1 34a_100000740478_100015370543 [0,1,0,0,0,0|1,0,2]=4 2762 B13R1.119 CC/C=C\CCOCc1ncco1 34a_100000062594_100015370543 [0,1,0,0,0,0|1,0,2]=4 2763 B13R1.119 CC/C=C\CCOCc1ncco1 34a_100016288707_103436540062 [0,1,0,0,0,0|1,0,2]=4 2764 B13R1.119 CC/C=C\CCOCc1ncco1 7a_100016288707_103436540062 [0,1,0,0,0,0|1,0,2]=4 2765 B13R1.119 CC/C=C\CCSCc1ncco1 62a_100015370543_103436540062 [0,1,0,0,0,0|1,0,2]=4 2766 B13R1.119 CC/C=C\CCSCc1ncco1 62a_103436540062_100015370543 [0,1,0,0,0,0|1,0,2]=4 2767 B13R1.119 CC/C=C\CNCCc1ccco1 2230a_100000694680_100103147603 [0,1,0,0,0,0|0,0,2]=3 2768 B13R1.119 CC/C=C\CNCCc1ccco1 34a_100000694680_100103147603 [0,1,0,0,0,0|0,0,2]=3 2769 B13R1.119 CC/C=C\CNCCc1cccs1 2230a_100000203755_100103147603 [0,1,0,0,0,0|0,1,2]=4 2770 B13R1.119 CC/C=C\CNCCc1cccs1 34a_100000203755_100103147603 [0,1,0,0,0,0|0,1,2]=4 2771 B13R1.119 CC/C=C\COCCc1cccs1 34a_100011216825_100103147603 [0,1,0,0,0,0|0,1,2]=4 2772 B13R1.119 CC/C=C\COCCc1cccs1 34a_100016268518_100000748579 [0,1,0,0,0,0|0,1,2]=4 2773 B13R1.119 CC/C=C\COCCc1cccs1 7a_100011216825_100103147603 [0,1,0,0,0,0|0,1,2]=4 2774 B13R1.119 CC/C=C\CSCCc1cccs1 62a_100000748579_100103147603 [0,1,0,0,0,0|0,1,2]=4 2775 B13R1.119 CC/C=C\CSCCc1cccs1 62a_100103147603_100000748579 [0,1,0,0,0,0|0,1,2]=4 2776 B13R1.119 CC=CCCCOCc1ncco1 34a_100020645299_103436540062 [0,1,0,0,0,0|1,0,2]=4 2777 B13R1.119 CC=CCOCCCc1cccs1 34a_100011713143_100000070051 [0,1,0,0,0,0|0,1,2]=4 2778 B13R1.119 CC=CCOCCCc1cccs1 7a_100011713143_100000070051 [0,1,0,0,0,0|0,1,2]=4 2779 B13R1.119 CC=CCSCCCc1cccs1 62a_100000070051_100010992444 [0,1,0,0,0,0|0,1,2]=4 2780 B13R1.119 CC=CCSCCCc1cccs1 62a_100010992444_100000070051 [0,1,0,0,0,0|0,1,2]=4 2781 B13R1.119 CCC#CCCOCc1ncco1 34a_100000036655_103436540062 [0,1,0,0,0,0|1,0,2]=4 2782 B13R1.119 CCC#CCCOCc1ncco1 7a_100000036655_103436540062 [0,1,0,0,0,0|1,0,2]=4 2783 B13R1.119 CCC#CCNCCc1ccco1 2230a_100000694680_100009813939 [0,1,0,0,0,0|0,0,2]=3 2784 B13R1.119 CCC#CCNCCc1ccco1 34a_100000694680_100009813939 [0,1,0,0,0,0|0,0,2]=3 2785 B13R1.119 CCC#CCNCCc1cccs1 2230a_100000203755_100009813939 [0,1,0,0,0,0|0,1,2]=4 2786 B13R1.119 CCC#CCNCCc1cccs1 34a_100000203755_100009813939 [0,1,0,0,0,0|0,1,2]=4 2787 B13R1.119 CCC#CCOCCc1cccs1 34a_100000032950_100000748579 [0,1,0,0,0,0|0,1,2]=4 2788 B13R1.119 CCC#CCOCCc1cccs1 34a_100011216825_100009813939 [0,1,0,0,0,0|0,1,2]=4 2789 B13R1.119 CCC#CCOCCc1cccs1 7a_100011216825_100009813939 [0,1,0,0,0,0|0,1,2]=4 2790 B13R1.119 CCC#CCSCCc1cccs1 62a_100000748579_100009813939 [0,1,0,0,0,0|0,1,2]=4 2791 B13R1.119 CCC#CCSCCc1cccs1 62a_100009813939_100000748579 [0,1,0,0,0,0|0,1,2]=4 2792 B13R1.119 CCC/C=C/COCc1ncco1 34a_100016278788_103436540062 [0,1,0,0,0,0|1,0,2]=4 2793 B13R1.119 CCC/C=C/COCc1ncco1 7a_100016278788_103436540062 [0,1,0,0,0,0|1,0,2]=4 2794 B13R1.119 CCCC#CCOCc1ncco1 34a_100000034806_103436540062 [0,1,0,0,0,0|1,0,2]=4 2795 B13R1.119 CCCC#CCOCc1ncco1 7a_100000034806_103436540062 [0,1,0,0,0,0|1,0,2]=4 2796 B13R1.119 CCCCCCC=Cc1c[nH]cn1 271570a_200015348155_100000756875 [0,1,0,0,0,0|2,0,1]=4 2797 B13R1.119 CCCCCCC=Cc1cc[nH]n1 271570a_200015348155_100000062575 [0,1,0,0,0,0|2,0,1]=4 2798 B13R1.119 CCCCCCC=Cc1ccco1 271570a_200015348155_100009814098 [0,1,0,0,0,0|0,0,1]=2 2799 B13R1.119 CCCCCCC=Cc1cccs1 271570a_200015348155_100011215356 [0,1,0,0,0,0|0,1,1]=3 2800 B13R1.119 CCCCCCC=Cc1ccoc1 271570a_200015348155_100011215275 [0,1,0,0,0,0|2,0,1]=4 2801 B13R1.119 CCCCCCC=Cc1ccsc1 271570a_200015348155_100000738268 [0,1,0,0,0,0|2,0,1]=4 2802 B13R1.119 CCCCCCC=Cc1ccsn1 271570a_200015348155_100009818082 [0,1,0,0,0,0|2,0,1]=4 2803 B13R1.119 CCCCCCC=Cc1cnco1 271570a_200015348155_100020591547 [0,1,0,0,0,0|1,0,1]=3 2804 B13R1.119 CCCCCCC=Cc1cncs1 271570a_200015348155_100011934649 [0,1,0,0,0,0|1,1,1]=4 2805 B13R1.119 CCCCCCC=Cc1cscn1 271570a_200015348155_100000751502 [0,1,0,0,0,0|2,0,1]=4 2806 B13R1.119 CCCCCCC=Cc1ncc[nH]1 271570a_200015348155_100025796157 [0,1,0,0,0,0|2,0,1]=4 2807 B13R1.119 CCCCCCC=Cc1ncco1 271570a_200015348155_100011787736 [0,1,0,0,0,0|1,0,1]=3 2808 B13R1.119 CCCCCCC=Cc1nccs1 271570a_200015348155_100000211983 [0,1,0,0,0,0|1,1,1]=4 2809 B13R1.119 CCCCCCCCN1CC=CC1 269982a_100015195280_100000210759 [0,1,0,0,0,0|2,0,1]=4 2810 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [0,1,0,0,0,0|1,0,2]=4 2811 B13R1.119 CCCCCCCNc1ncns1 27a_100000229938_100000693119 [0,1,0,0,0,0|2,1,0]=4 2812 B13R1.119 CCCCCCCNc1nncs1 27a_100000229938_100000739804 [0,1,0,0,0,0|2,1,0]=4 2813 B13R1.119 CCCCCCCOc1ccsc1 34a_100000106738_100000210614 [0,1,0,0,0,0|2,0,0]=3 2814 B13R1.119 CCCCCCCOc1ccsc1 7a_100000106738_100000210614 [0,1,0,0,0,0|2,0,0]=3 2815 B13R1.119 CCCCCCCSc1c[nH]cn1 62a_100000210614_100000756875 [0,1,0,0,0,0|2,0,0]=3 2816 B13R1.119 CCCCCCCSc1c[nH]cn1 62a_100000756875_100000210316 [0,1,0,0,0,0|2,0,0]=3 2817 B13R1.119 CCCCCCCSc1c[nH]nn1 62a_100000210614_100009819707 [0,1,0,0,0,0|3,0,0]=4 2818 B13R1.119 CCCCCCCSc1c[nH]nn1 62a_100009819707_100000210316 [0,1,0,0,0,0|3,0,0]=4 2819 B13R1.119 CCCCCCCSc1cc[nH]n1 62a_100000062575_100000210316 [0,1,0,0,0,0|2,0,0]=3 2820 B13R1.119 CCCCCCCSc1cc[nH]n1 62a_100000210614_100000062575 [0,1,0,0,0,0|2,0,0]=3 2821 B13R1.119 CCCCCCCSc1ccco1 62a_100000210614_100009814098 [0,1,0,0,0,0|0,0,0]=1 2822 B13R1.119 CCCCCCCSc1ccco1 62a_100009814098_100000210316 [0,1,0,0,0,0|0,0,0]=1 2823 B13R1.119 CCCCCCCSc1cccs1 62a_100000210614_100011215356 [0,1,0,0,0,0|0,1,0]=2 2824 B13R1.119 CCCCCCCSc1cccs1 62a_100011215356_100000210316 [0,1,0,0,0,0|0,1,0]=2 2825 B13R1.119 CCCCCCCSc1ccoc1 62a_100000210614_100011215275 [0,1,0,0,0,0|2,0,0]=3 2826 B13R1.119 CCCCCCCSc1ccoc1 62a_100011215275_100000210316 [0,1,0,0,0,0|2,0,0]=3 2827 B13R1.119 CCCCCCCSc1ccon1 62a_100000210614_100009818083 [0,1,0,0,0,0|2,0,0]=3 2828 B13R1.119 CCCCCCCSc1ccon1 62a_100009818083_100000210316 [0,1,0,0,0,0|2,0,0]=3 2829 B13R1.119 CCCCCCCSc1ccsc1 62a_100000210614_100000738268 [0,1,0,0,0,0|2,0,0]=3 2830 B13R1.119 CCCCCCCSc1ccsc1 62a_100000738268_100000210316 [0,1,0,0,0,0|2,0,0]=3 2831 B13R1.119 CCCCCCCSc1ccsn1 62a_100000210614_100009818082 [0,1,0,0,0,0|2,0,0]=3 2832 B13R1.119 CCCCCCCSc1ccsn1 62a_100009818082_100000210316 [0,1,0,0,0,0|2,0,0]=3 2833 B13R1.119 CCCCCCCSc1cn[nH]c1 62a_100000210614_100000238712 [0,1,0,0,0,0|3,0,0]=4 2834 B13R1.119 CCCCCCCSc1cn[nH]c1 62a_100000238712_100000210316 [0,1,0,0,0,0|3,0,0]=4 2835 B13R1.119 CCCCCCCSc1cnco1 62a_100000210614_100020591547 [0,1,0,0,0,0|1,0,0]=2 2836 B13R1.119 CCCCCCCSc1cnco1 62a_100020591547_100000210316 [0,1,0,0,0,0|1,0,0]=2 2837 B13R1.119 CCCCCCCSc1cncs1 62a_100000210614_100011934649 [0,1,0,0,0,0|1,1,0]=3 2838 B13R1.119 CCCCCCCSc1cncs1 62a_100011934649_100000210316 [0,1,0,0,0,0|1,1,0]=3 2839 B13R1.119 CCCCCCCSc1cnoc1 62a_100000210614_100009815712 [0,1,0,0,0,0|3,0,0]=4 2840 B13R1.119 CCCCCCCSc1cnoc1 62a_100009815712_100000210316 [0,1,0,0,0,0|3,0,0]=4 2841 B13R1.119 CCCCCCCSc1cnsc1 62a_100000210614_100009815736 [0,1,0,0,0,0|3,0,0]=4 2842 B13R1.119 CCCCCCCSc1cnsc1 62a_100009815736_100000210316 [0,1,0,0,0,0|3,0,0]=4 2843 B13R1.119 CCCCCCCSc1cscn1 62a_100000210614_100000751502 [0,1,0,0,0,0|2,0,0]=3 2844 B13R1.119 CCCCCCCSc1cscn1 62a_100000751502_100000210316 [0,1,0,0,0,0|2,0,0]=3 2845 B13R1.119 CCCCCCCSc1nc[nH]n1 62a_100000210614_100000761765 [0,1,0,0,0,0|3,0,0]=4 2846 B13R1.119 CCCCCCCSc1nc[nH]n1 62a_100000761765_100000210316 [0,1,0,0,0,0|3,0,0]=4 2847 B13R1.119 CCCCCCCSc1ncc[nH]1 62a_100000210614_100025796157 [0,1,0,0,0,0|2,0,0]=3 2848 B13R1.119 CCCCCCCSc1ncc[nH]1 62a_100025796157_100000210316 [0,1,0,0,0,0|2,0,0]=3 2849 B13R1.119 CCCCCCCSc1ncco1 62a_100000210614_100011787736 [0,1,0,0,0,0|1,0,0]=2 2850 B13R1.119 CCCCCCCSc1ncco1 62a_100011787736_100000210316 [0,1,0,0,0,0|1,0,0]=2 2851 B13R1.119 CCCCCCCSc1nccs1 62a_100000210614_100000211983 [0,1,0,0,0,0|1,1,0]=3 2852 B13R1.119 CCCCCCCSc1nccs1 62a_100000211983_100000210316 [0,1,0,0,0,0|1,1,0]=3 2853 B13R1.119 CCCCCCCSc1ncns1 62a_100000210614_100000693119 [0,1,0,0,0,0|2,1,0]=4 2854 B13R1.119 CCCCCCCSc1ncns1 62a_100000693119_100000210316 [0,1,0,0,0,0|2,1,0]=4 2855 B13R1.119 CCCCCCCSc1nncs1 62a_100000210614_100000739804 [0,1,0,0,0,0|2,1,0]=4 2856 B13R1.119 CCCCCCCSc1nncs1 62a_100000739804_100000210316 [0,1,0,0,0,0|2,1,0]=4 2857 B13R1.119 CCCCCCNCc1c[nH]cn1 2230a_100000210581_100000707719 [0,1,0,0,0,0|2,0,0]=3 2858 B13R1.119 CCCCCCNCc1cc[nH]n1 207a_100000210581_100000738523 [0,1,0,0,0,0|2,0,0]=3 2859 B13R1.119 CCCCCCNCc1cc[nH]n1 270004a_100000210581_100000738523 [0,1,0,0,0,0|2,0,0]=3 2860 B13R1.119 CCCCCCNCc1ccco1 207a_100000210581_100000186105 [0,1,0,0,0,0|0,0,0]=1 2861 B13R1.119 CCCCCCNCc1ccco1 2230a_100000185738_100000210314 [0,1,0,0,0,0|0,0,0]=1 2862 B13R1.119 CCCCCCNCc1ccco1 270004a_100000210581_100000186105 [0,1,0,0,0,0|0,0,0]=1 2863 B13R1.119 CCCCCCNCc1ccco1 34a_100000185738_100000210314 [0,1,0,0,0,0|0,0,0]=1 2864 B13R1.119 CCCCCCNCc1cccs1 207a_100000210581_100000209959 [0,1,0,0,0,0|0,1,0]=2 2865 B13R1.119 CCCCCCNCc1cccs1 2230a_100000211653_100000210314 [0,1,0,0,0,0|0,1,0]=2 2866 B13R1.119 CCCCCCNCc1cccs1 270004a_100000210581_100000209959 [0,1,0,0,0,0|0,1,0]=2 2867 B13R1.119 CCCCCCNCc1ccn[nH]1 2230a_100000210581_100000728653 [0,1,0,0,0,0|2,0,0]=3 2868 B13R1.119 CCCCCCNCc1ccoc1 207a_100000210581_100011215517 [0,1,0,0,0,0|2,0,0]=3 2869 B13R1.119 CCCCCCNCc1ccoc1 2230a_100015206860_100000210314 [0,1,0,0,0,0|2,0,0]=3 2870 B13R1.119 CCCCCCNCc1ccoc1 270004a_100000210581_100011215517 [0,1,0,0,0,0|2,0,0]=3 2871 B13R1.119 CCCCCCNCc1ccoc1 34a_100015206860_100000210314 [0,1,0,0,0,0|2,0,0]=3 2872 B13R1.119 CCCCCCNCc1ccon1 2230a_100000210581_100000234950 [0,1,0,0,0,0|2,0,0]=3 2873 B13R1.119 CCCCCCNCc1ccsc1 207a_100000210581_100000188534 [0,1,0,0,0,0|2,0,0]=3 2874 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000186416_100000210314 [0,1,0,0,0,0|2,0,0]=3 2875 B13R1.119 CCCCCCNCc1ccsc1 2230a_100000210581_100011261437 [0,1,0,0,0,0|2,0,0]=3 2876 B13R1.119 CCCCCCNCc1ccsc1 270004a_100000210581_100000188534 [0,1,0,0,0,0|2,0,0]=3 2877 B13R1.119 CCCCCCNCc1ccsc1 34a_100000186416_100000210314 [0,1,0,0,0,0|2,0,0]=3 2878 B13R1.119 CCCCCCNCc1cn[nH]c1 207a_100000210581_100016992096 [0,1,0,0,0,0|3,0,0]=4 2879 B13R1.119 CCCCCCNCc1cn[nH]c1 270004a_100000210581_100016992096 [0,1,0,0,0,0|3,0,0]=4 2880 B13R1.119 CCCCCCNCc1cnc[nH]1 207a_100000210581_100000742939 [0,1,0,0,0,0|2,0,0]=3 2881 B13R1.119 CCCCCCNCc1cnco1 270004a_100000210581_100000064291 [0,1,0,0,0,0|1,0,0]=2 2882 B13R1.119 CCCCCCNCc1cncs1 207a_100000210581_100000749870 [0,1,0,0,0,0|1,1,0]=3 2883 B13R1.119 CCCCCCNCc1cncs1 2230a_100000210581_100015185245 [0,1,0,0,0,0|1,1,0]=3 2884 B13R1.119 CCCCCCNCc1cncs1 2230a_100016987365_100000210314 [0,1,0,0,0,0|1,1,0]=3 2885 B13R1.119 CCCCCCNCc1cncs1 270004a_100000210581_100000749870 [0,1,0,0,0,0|1,1,0]=3 2886 B13R1.119 CCCCCCNCc1cocn1 270004a_100000210581_100000050382 [0,1,0,0,0,0|2,0,0]=3 2887 B13R1.119 CCCCCCNCc1cscn1 207a_100000210581_100000743575 [0,1,0,0,0,0|2,0,0]=3 2888 B13R1.119 CCCCCCNCc1cscn1 2230a_100000210581_100000205941 [0,1,0,0,0,0|2,0,0]=3 2889 B13R1.119 CCCCCCNCc1cscn1 2230a_100015185402_100000210314 [0,1,0,0,0,0|2,0,0]=3 2890 B13R1.119 CCCCCCNCc1cscn1 270004a_100000210581_100000743575 [0,1,0,0,0,0|2,0,0]=3 2891 B13R1.119 CCCCCCNCc1csnn1 270004a_100000210581_100000738508 [0,1,0,0,0,0|3,0,0]=4 2892 B13R1.119 CCCCCCNCc1ncc[nH]1 207a_100000210581_100000743867 [0,1,0,0,0,0|2,0,0]=3 2893 B13R1.119 CCCCCCNCc1ncc[nH]1 2230a_100000210581_100016991755 [0,1,0,0,0,0|2,0,0]=3 2894 B13R1.119 CCCCCCNCc1ncco1 2230a_100000210581_103436540062 [0,1,0,0,0,0|1,0,0]=2 2895 B13R1.119 CCCCCCNCc1ncco1 2230a_100016994969_100000210314 [0,1,0,0,0,0|1,0,0]=2 2896 B13R1.119 CCCCCCNCc1ncco1 270004a_100000210581_100000064290 [0,1,0,0,0,0|1,0,0]=2 2897 B13R1.119 CCCCCCNCc1nccs1 207a_100000210581_100000750902 [0,1,0,0,0,0|1,1,0]=3 2898 B13R1.119 CCCCCCNCc1nccs1 2230a_100000210581_100015184050 [0,1,0,0,0,0|1,1,0]=3 2899 B13R1.119 CCCCCCNCc1nccs1 2230a_100000740555_100000210314 [0,1,0,0,0,0|1,1,0]=3 2900 B13R1.119 CCCCCCNCc1nccs1 270004a_100000210581_100000750902 [0,1,0,0,0,0|1,1,0]=3 2901 B13R1.119 CCCCCCNCc1nnc[nH]1 2230a_200015183720_100000210314 [0,1,0,0,0,0|3,0,0]=4 2902 B13R1.119 CCCCCCNCn1cncn1 2230a_100000210581_200020645497 [0,1,0,0,0,0|3,0,0]=4 2903 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [0,1,0,0,0,0|1,0,2]=4 2904 B13R1.119 CCCCCCOCc1c[nH]cn1 34a_100000210259_100000707719 [0,1,0,0,0,0|2,0,0]=3 2905 B13R1.119 CCCCCCOCc1ccco1 34a_100000210059_100000210314 [0,1,0,0,0,0|0,0,0]=1 2906 B13R1.119 CCCCCCOCc1cccs1 34a_100000211240_100000210314 [0,1,0,0,0,0|0,1,0]=2 2907 B13R1.119 CCCCCCOCc1ccn[nH]1 34a_100000210259_100000728653 [0,1,0,0,0,0|2,0,0]=3 2908 B13R1.119 CCCCCCOCc1ccn[nH]1 7a_100000210259_100000728653 [0,1,0,0,0,0|2,0,0]=3 2909 B13R1.119 CCCCCCOCc1ccno1 34a_100000740478_100000210314 [0,1,0,0,0,0|1,0,0]=2 2910 B13R1.119 CCCCCCOCc1ccoc1 34a_100011215357_100000210314 [0,1,0,0,0,0|2,0,0]=3 2911 B13R1.119 CCCCCCOCc1ccon1 34a_100000210259_100000234950 [0,1,0,0,0,0|2,0,0]=3 2912 B13R1.119 CCCCCCOCc1ccon1 7a_100000210259_100000234950 [0,1,0,0,0,0|2,0,0]=3 2913 B13R1.119 CCCCCCOCc1ccsc1 34a_100000210259_100011261437 [0,1,0,0,0,0|2,0,0]=3 2914 B13R1.119 CCCCCCOCc1ccsc1 34a_100011215551_100000210314 [0,1,0,0,0,0|2,0,0]=3 2915 B13R1.119 CCCCCCOCc1ccsc1 7a_100000210259_100011261437 [0,1,0,0,0,0|2,0,0]=3 2916 B13R1.119 CCCCCCOCc1cncs1 34a_100000210259_100015185245 [0,1,0,0,0,0|1,1,0]=3 2917 B13R1.119 CCCCCCOCc1cncs1 7a_100000210259_100015185245 [0,1,0,0,0,0|1,1,0]=3 2918 B13R1.119 CCCCCCOCc1cscn1 34a_100000210259_100000205941 [0,1,0,0,0,0|2,0,0]=3 2919 B13R1.119 CCCCCCOCc1cscn1 7a_100000210259_100000205941 [0,1,0,0,0,0|2,0,0]=3 2920 B13R1.119 CCCCCCOCc1ncc[nH]1 34a_100000210259_100016991755 [0,1,0,0,0,0|2,0,0]=3 2921 B13R1.119 CCCCCCOCc1ncc[nH]1 7a_100000210259_100000753453 [0,1,0,0,0,0|2,0,0]=3 2922 B13R1.119 CCCCCCOCc1ncco1 34a_100000062594_100000210314 [0,1,0,0,0,0|1,0,0]=2 2923 B13R1.119 CCCCCCOCc1ncco1 34a_100000210259_103436540062 [0,1,0,0,0,0|1,0,0]=2 2924 B13R1.119 CCCCCCOCc1ncco1 7a_100000210259_103436540062 [0,1,0,0,0,0|1,0,0]=2 2925 B13R1.119 CCCCCCOCc1nccs1 34a_100000210259_100015184050 [0,1,0,0,0,0|1,1,0]=3 2926 B13R1.119 CCCCCCOCc1nccs1 7a_100000210259_100015184050 [0,1,0,0,0,0|1,1,0]=3 2927 B13R1.119 CCCCCCOCc1ncon1 34a_100000210259_100000233494 [0,1,0,0,0,0|3,0,0]=4 2928 B13R1.119 CCCCCCOCn1cccn1 34a_100000731028_100000210314 [0,1,0,0,0,0|2,0,0]=3 2929 B13R1.119 CCCCCCOCn1cncn1 34a_100000210259_200020645497 [0,1,0,0,0,0|3,0,0]=4 2930 B13R1.119 CCCCCCOCn1cncn1 7a_100000210259_200020645497 [0,1,0,0,0,0|3,0,0]=4 2931 B13R1.119 CCCCCCSCc1c[nH]cn1 62a_100000210314_100000707719 [0,1,0,0,0,0|2,0,0]=3 2932 B13R1.119 CCCCCCSCc1c[nH]cn1 62a_100000707719_100000210757 [0,1,0,0,0,0|2,0,0]=3 2933 B13R1.119 CCCCCCSCc1ccn[nH]1 62a_100000210314_100000728653 [0,1,0,0,0,0|2,0,0]=3 2934 B13R1.119 CCCCCCSCc1ccn[nH]1 62a_100000728653_100000210757 [0,1,0,0,0,0|2,0,0]=3 2935 B13R1.119 CCCCCCSCc1ccon1 62a_100000210314_100000234950 [0,1,0,0,0,0|2,0,0]=3 2936 B13R1.119 CCCCCCSCc1ccon1 62a_100000234950_100000210757 [0,1,0,0,0,0|2,0,0]=3 2937 B13R1.119 CCCCCCSCc1ccsc1 62a_100000210314_100011233845 [0,1,0,0,0,0|2,0,0]=3 2938 B13R1.119 CCCCCCSCc1ccsc1 62a_100011261437_100000210757 [0,1,0,0,0,0|2,0,0]=3 2939 B13R1.119 CCCCCCSCc1cncs1 62a_100000210314_100015185245 [0,1,0,0,0,0|1,1,0]=3 2940 B13R1.119 CCCCCCSCc1cncs1 62a_100015185245_100000210757 [0,1,0,0,0,0|1,1,0]=3 2941 B13R1.119 CCCCCCSCc1cscn1 62a_100000205941_100000210757 [0,1,0,0,0,0|2,0,0]=3 2942 B13R1.119 CCCCCCSCc1cscn1 62a_100000210314_100000205941 [0,1,0,0,0,0|2,0,0]=3 2943 B13R1.119 CCCCCCSCc1ncc[nH]1 62a_100000210314_100016991755 [0,1,0,0,0,0|2,0,0]=3 2944 B13R1.119 CCCCCCSCc1ncc[nH]1 62a_100016991755_100000210757 [0,1,0,0,0,0|2,0,0]=3 2945 B13R1.119 CCCCCCSCc1ncco1 62a_100000210314_103436540062 [0,1,0,0,0,0|1,0,0]=2 2946 B13R1.119 CCCCCCSCc1ncco1 62a_103436540062_100000210757 [0,1,0,0,0,0|1,0,0]=2 2947 B13R1.119 CCCCCCSCc1nccs1 62a_100000210314_100015184050 [0,1,0,0,0,0|1,1,0]=3 2948 B13R1.119 CCCCCCSCc1nccs1 62a_100015184050_100000210757 [0,1,0,0,0,0|1,1,0]=3 2949 B13R1.119 CCCCCCSCc1ncon1 62a_100000210314_100000233494 [0,1,0,0,0,0|3,0,0]=4 2950 B13R1.119 CCCCCCSCc1ncon1 62a_100000233494_100000210757 [0,1,0,0,0,0|3,0,0]=4 2951 B13R1.119 CCCCCCSCn1cncn1 62a_100000210314_200020645497 [0,1,0,0,0,0|3,0,0]=4 2952 B13R1.119 CCCCCCSCn1cncn1 62a_200020645497_100000210757 [0,1,0,0,0,0|3,0,0]=4 2953 B13R1.119 CCCCCNCCc1c[nH]cn1 2230a_100000209983_100020628418 [0,1,0,0,0,0|2,0,0]=3 2954 B13R1.119 CCCCCNCCc1ccco1 2230a_100000694680_100000210326 [0,1,0,0,0,0|0,0,0]=1 2955 B13R1.119 CCCCCNCCc1ccco1 34a_100000694680_100000718602 [0,1,0,0,0,0|0,0,0]=1 2956 B13R1.119 CCCCCNCCc1cccs1 2230a_100000203755_100000210326 [0,1,0,0,0,0|0,1,0]=2 2957 B13R1.119 CCCCCNCCc1cccs1 2230a_100000209983_100000748579 [0,1,0,0,0,0|0,1,0]=2 2958 B13R1.119 CCCCCNCCc1cccs1 34a_100000203755_100000718602 [0,1,0,0,0,0|0,1,0]=2 2959 B13R1.119 CCCCCNCCc1ccsc1 2230a_100000692642_100000210326 [0,1,0,0,0,0|2,0,0]=3 2960 B13R1.119 CCCCCNCCc1ccsc1 34a_100000692642_100000718602 [0,1,0,0,0,0|2,0,0]=3 2961 B13R1.119 CCCCCNCCc1cn[nH]c1 2230a_100000209983_100000743252 [0,1,0,0,0,0|3,0,0]=4 2962 B13R1.119 CCCCCNCCc1cn[nH]c1 2230a_100000732747_100000210326 [0,1,0,0,0,0|3,0,0]=4 2963 B13R1.119 CCCCCNCCc1cncs1 2230a_100016991637_100000210326 [0,1,0,0,0,0|1,1,0]=3 2964 B13R1.119 CCCCCNCCc1nccs1 2230a_100015186391_100000210326 [0,1,0,0,0,0|1,1,0]=3 2965 B13R1.119 CCCCCNCCn1cccc1 2230a_100000209983_200009811947 [0,1,0,0,0,0|2,0,0]=3 2966 B13R1.119 CCCCCNCCn1cccc1 34a_100011368172_100000718602 [0,1,0,0,0,0|2,0,0]=3 2967 B13R1.119 CCCCCNCCn1cccn1 2230a_100000209983_100000685285 [0,1,0,0,0,0|2,0,0]=3 2968 B13R1.119 CCCCCNCCn1cccn1 2230a_100011200920_100000210326 [0,1,0,0,0,0|2,0,0]=3 2969 B13R1.119 CCCCCNCCn1cncn1 2230a_100000209983_100000731791 [0,1,0,0,0,0|3,0,0]=4 2970 B13R1.119 CCCCCNCCn1cncn1 2230a_200000738561_100000210326 [0,1,0,0,0,0|3,0,0]=4 2971 B13R1.119 CCCCCNN=Cc1ccc[nH]1 4a_100000694160_100000211237 [0,1,0,0,0,0|2,0,1]=4 2972 B13R1.119 CCCCCNN=Cc1ccco1 4a_100000694160_100000186105 [0,1,0,0,0,0|1,0,1]=3 2973 B13R1.119 CCCCCNN=Cc1cccs1 4a_100000694160_100000209959 [0,1,0,0,0,0|1,1,1]=4 2974 B13R1.119 CCCCCNN=Cc1cnco1 4a_100000694160_100000064291 [0,1,0,0,0,0|2,0,1]=4 2975 B13R1.119 CCCCCNN=Cc1ncco1 4a_100000694160_100000064290 [0,1,0,0,0,0|2,0,1]=4 2976 B13R1.119 CCCCCOCC[n+]1ccsc1 34a_200000100414_100000718602 [0,1,0,0,0,0|3,0,0]=4 2977 B13R1.119 CCCCCOCCc1c[nH]cn1 7a_100000210253_100020628418 [0,1,0,0,0,0|2,0,0]=3 2978 B13R1.119 CCCCCOCCc1cccs1 34a_100000210253_100000748579 [0,1,0,0,0,0|0,1,0]=2 2979 B13R1.119 CCCCCOCCc1cccs1 34a_100011216825_100000718602 [0,1,0,0,0,0|0,1,0]=2 2980 B13R1.119 CCCCCOCCc1cccs1 7a_100000210253_100000748579 [0,1,0,0,0,0|0,1,0]=2 2981 B13R1.119 CCCCCOCCc1cccs1 7a_100011216825_100000210326 [0,1,0,0,0,0|0,1,0]=2 2982 B13R1.119 CCCCCOCCc1ccsc1 34a_100000748821_100000718602 [0,1,0,0,0,0|2,0,0]=3 2983 B13R1.119 CCCCCOCCc1cn[nH]c1 34a_100000766553_100000718602 [0,1,0,0,0,0|3,0,0]=4 2984 B13R1.119 CCCCCOCCc1cn[nH]c1 7a_100000210253_100000743252 [0,1,0,0,0,0|3,0,0]=4 2985 B13R1.119 CCCCCOCCc1cnoc1 34a_100000732699_100000718602 [0,1,0,0,0,0|3,0,0]=4 2986 B13R1.119 CCCCCOCCc1ncc[nH]1 34a_103549771195_100000718602 [0,1,0,0,0,0|2,0,0]=3 2987 B13R1.119 CCCCCOCCn1cccc1 34a_100000179382_100000718602 [0,1,0,0,0,0|2,0,0]=3 2988 B13R1.119 CCCCCOCCn1cccc1 7a_100000210253_200000035178 [0,1,0,0,0,0|2,0,0]=3 2989 B13R1.119 CCCCCOCCn1cccn1 34a_100000210253_100015204718 [0,1,0,0,0,0|2,0,0]=3 2990 B13R1.119 CCCCCOCCn1cccn1 34a_100000743371_100000718602 [0,1,0,0,0,0|2,0,0]=3 2991 B13R1.119 CCCCCOCCn1cccn1 7a_100000210253_100000685285 [0,1,0,0,0,0|2,0,0]=3 2992 B13R1.119 CCCCCOCCn1ccnc1 34a_100000719764_100000718602 [0,1,0,0,0,0|3,0,0]=4 2993 B13R1.119 CCCCCOCCn1ccnc1 7a_100000210253_100000702546 [0,1,0,0,0,0|3,0,0]=4 2994 B13R1.119 CCCCCOCCn1ccnn1 34a_100000080814_100000718602 [0,1,0,0,0,0|3,0,0]=4 2995 B13R1.119 CCCCCOCCn1cncn1 34a_100000210253_200000749826 [0,1,0,0,0,0|3,0,0]=4 2996 B13R1.119 CCCCCOCCn1cncn1 34a_100000745309_100000718602 [0,1,0,0,0,0|3,0,0]=4 2997 B13R1.119 CCCCCOCCn1cncn1 7a_100000210253_100000731791 [0,1,0,0,0,0|3,0,0]=4 2998 B13R1.119 CCCCCSCCc1c[nH]cn1 62a_100000210326_100020628418 [0,1,0,0,0,0|2,0,0]=3 2999 B13R1.119 CCCCCSCCc1c[nH]cn1 62a_100020628418_100000210326 [0,1,0,0,0,0|2,0,0]=3 3000 B13R1.119 CCCCCSCCc1cccs1 62a_100000210326_100000748579 [0,1,0,0,0,0|0,1,0]=2 3001 B13R1.119 CCCCCSCCc1cccs1 62a_100000748579_100000210326 [0,1,0,0,0,0|0,1,0]=2 3002 B13R1.119 CCCCCSCCc1cn[nH]c1 62a_100000210326_100000743252 [0,1,0,0,0,0|3,0,0]=4 3003 B13R1.119 CCCCCSCCc1cn[nH]c1 62a_100000743252_100000210326 [0,1,0,0,0,0|3,0,0]=4 3004 B13R1.119 CCCCCSCCn1cccc1 62a_100000210326_200000035178 [0,1,0,0,0,0|2,0,0]=3 3005 B13R1.119 CCCCCSCCn1cccc1 62a_200009811947_100000210326 [0,1,0,0,0,0|2,0,0]=3 3006 B13R1.119 CCCCCSCCn1cccn1 62a_100000210326_100000685285 [0,1,0,0,0,0|2,0,0]=3 3007 B13R1.119 CCCCCSCCn1cccn1 62a_100015204718_100000210326 [0,1,0,0,0,0|2,0,0]=3 3008 B13R1.119 CCCCCSCCn1ccnc1 62a_100000210326_100000702546 [0,1,0,0,0,0|3,0,0]=4 3009 B13R1.119 CCCCCSCCn1ccnc1 62a_100000702546_100000210326 [0,1,0,0,0,0|3,0,0]=4 3010 B13R1.119 CCCCCSCCn1cncn1 62a_100000210326_100000731791 [0,1,0,0,0,0|3,0,0]=4 3011 B13R1.119 CCCCCSCCn1cncn1 62a_100000731791_100000210326 [0,1,0,0,0,0|3,0,0]=4 3012 B13R1.119 CCCCNCC=Cc1ccco1 270004a_100000102301_100000185671 [0,1,0,0,0,0|0,0,2]=3 3013 B13R1.119 CCCCNCCCc1cccs1 2230a_100000102301_100010992444 [0,1,0,0,0,0|0,1,0]=2 3014 B13R1.119 CCCCNCCCc1cccs1 7a_106832991798_100010992444 [0,1,0,0,0,0|0,1,0]=2 3015 B13R1.119 CCCCNCCCn1cccc1 2230a_100000102301_200009814367 [0,1,0,0,0,0|2,0,0]=3 3016 B13R1.119 CCCCNCCCn1cccc1 7a_106832991798_200009814367 [0,1,0,0,0,0|2,0,0]=3 3017 B13R1.119 CCCCNCCCn1cccn1 2230a_100000102301_100000739983 [0,1,0,0,0,0|2,0,0]=3 3018 B13R1.119 CCCCNCCCn1cccn1 7a_106832991798_100000739983 [0,1,0,0,0,0|2,0,0]=3 3019 B13R1.119 CCCCNCCCn1ccnc1 2230a_100000102301_100000756272 [0,1,0,0,0,0|3,0,0]=4 3020 B13R1.119 CCCCNCCCn1ccnc1 7a_106832991798_100000756272 [0,1,0,0,0,0|3,0,0]=4 3021 B13R1.119 CCCCNCCCn1cncn1 2230a_100000102301_100102700105 [0,1,0,0,0,0|3,0,0]=4 3022 B13R1.119 CCCCNCCCn1cncn1 7a_106832991798_100102700105 [0,1,0,0,0,0|3,0,0]=4 3023 B13R1.119 CCCCOCCCc1cccs1 34a_100000210227_100010992444 [0,1,0,0,0,0|0,1,0]=2 3024 B13R1.119 CCCCOCCCc1cccs1 34a_100011713143_100000210210 [0,1,0,0,0,0|0,1,0]=2 3025 B13R1.119 CCCCOCCCc1cccs1 7a_100000210227_100010992444 [0,1,0,0,0,0|0,1,0]=2 3026 B13R1.119 CCCCOCCCc1cccs1 7a_100011713143_100000210211 [0,1,0,0,0,0|0,1,0]=2 3027 B13R1.119 CCCCOCCCc1ccsc1 34a_200000699776_100000210210 [0,1,0,0,0,0|2,0,0]=3 3028 B13R1.119 CCCCOCCCc1ccsc1 7a_200000699776_100000210211 [0,1,0,0,0,0|2,0,0]=3 3029 B13R1.119 CCCCOCCCc1cnoc1 34a_100011738005_100000210210 [0,1,0,0,0,0|3,0,0]=4 3030 B13R1.119 CCCCOCCCn1cccc1 34a_100000179399_100000210210 [0,1,0,0,0,0|2,0,0]=3 3031 B13R1.119 CCCCOCCCn1cccc1 34a_100000210227_200009814367 [0,1,0,0,0,0|2,0,0]=3 3032 B13R1.119 CCCCOCCCn1cccc1 7a_100000179399_100000210211 [0,1,0,0,0,0|2,0,0]=3 3033 B13R1.119 CCCCOCCCn1cccc1 7a_100000210227_200009814367 [0,1,0,0,0,0|2,0,0]=3 3034 B13R1.119 CCCCOCCCn1cccn1 34a_100000753614_100000210210 [0,1,0,0,0,0|2,0,0]=3 3035 B13R1.119 CCCCOCCCn1cccn1 7a_100000210227_100000739983 [0,1,0,0,0,0|2,0,0]=3 3036 B13R1.119 CCCCOCCCn1ccnc1 34a_100000210227_100000756272 [0,1,0,0,0,0|3,0,0]=4 3037 B13R1.119 CCCCOCCCn1ccnc1 34a_100000240236_100000210210 [0,1,0,0,0,0|3,0,0]=4 3038 B13R1.119 CCCCOCCCn1ccnc1 7a_100000210227_100000756272 [0,1,0,0,0,0|3,0,0]=4 3039 B13R1.119 CCCCOCCCn1cncn1 34a_100000210227_100102700105 [0,1,0,0,0,0|3,0,0]=4 3040 B13R1.119 CCCCOCCCn1cncn1 34a_100011305697_100000210210 [0,1,0,0,0,0|3,0,0]=4 3041 B13R1.119 CCCCOCCCn1cncn1 7a_100000210227_100102700105 [0,1,0,0,0,0|3,0,0]=4 3042 B13R1.119 CCCCOCCOc1ccsc1 34a_100000106738_100000743108 [0,1,0,0,0,0|3,0,0]=4 3043 B13R1.119 CCCCOCCOc1ccsc1 7a_100000106738_100000743108 [0,1,0,0,0,0|3,0,0]=4 3044 B13R1.119 CCCCOCCSc1c[nH]cn1 62a_100000743108_100000756875 [0,1,0,0,0,0|3,0,0]=4 3045 B13R1.119 CCCCOCCSc1c[nH]cn1 62a_100000756875_100000743108 [0,1,0,0,0,0|3,0,0]=4 3046 B13R1.119 CCCCOCCSc1cc[nH]n1 62a_100000062575_100000743108 [0,1,0,0,0,0|3,0,0]=4 3047 B13R1.119 CCCCOCCSc1cc[nH]n1 62a_100000743108_100000062575 [0,1,0,0,0,0|3,0,0]=4 3048 B13R1.119 CCCCOCCSc1ccco1 62a_100000743108_100009814098 [0,1,0,0,0,0|1,0,0]=2 3049 B13R1.119 CCCCOCCSc1ccco1 62a_100009814098_100000743108 [0,1,0,0,0,0|1,0,0]=2 3050 B13R1.119 CCCCOCCSc1cccs1 62a_100000743108_100011215356 [0,1,0,0,0,0|1,1,0]=3 3051 B13R1.119 CCCCOCCSc1cccs1 62a_100011215356_100000743108 [0,1,0,0,0,0|1,1,0]=3 3052 B13R1.119 CCCCOCCSc1ccoc1 62a_100000743108_100011215275 [0,1,0,0,0,0|3,0,0]=4 3053 B13R1.119 CCCCOCCSc1ccoc1 62a_100011215275_100000743108 [0,1,0,0,0,0|3,0,0]=4 3054 B13R1.119 CCCCOCCSc1ccon1 62a_100000743108_100009818083 [0,1,0,0,0,0|3,0,0]=4 3055 B13R1.119 CCCCOCCSc1ccon1 62a_100009818083_100000743108 [0,1,0,0,0,0|3,0,0]=4 3056 B13R1.119 CCCCOCCSc1ccsc1 62a_100000738268_100000743108 [0,1,0,0,0,0|3,0,0]=4 3057 B13R1.119 CCCCOCCSc1ccsc1 62a_100000743108_100000738268 [0,1,0,0,0,0|3,0,0]=4 3058 B13R1.119 CCCCOCCSc1ccsn1 62a_100000743108_100009818082 [0,1,0,0,0,0|3,0,0]=4 3059 B13R1.119 CCCCOCCSc1ccsn1 62a_100009818082_100000743108 [0,1,0,0,0,0|3,0,0]=4 3060 B13R1.119 CCCCOCCSc1cnco1 62a_100000743108_100020591547 [0,1,0,0,0,0|2,0,0]=3 3061 B13R1.119 CCCCOCCSc1cnco1 62a_100020591547_100000743108 [0,1,0,0,0,0|2,0,0]=3 3062 B13R1.119 CCCCOCCSc1cncs1 62a_100000743108_100011934649 [0,1,0,0,0,0|2,1,0]=4 3063 B13R1.119 CCCCOCCSc1cncs1 62a_100011934649_100000743108 [0,1,0,0,0,0|2,1,0]=4 3064 B13R1.119 CCCCOCCSc1cscn1 62a_100000743108_100000751502 [0,1,0,0,0,0|3,0,0]=4 3065 B13R1.119 CCCCOCCSc1cscn1 62a_100000751502_100000743108 [0,1,0,0,0,0|3,0,0]=4 3066 B13R1.119 CCCCOCCSc1ncc[nH]1 62a_100000743108_100025796157 [0,1,0,0,0,0|3,0,0]=4 3067 B13R1.119 CCCCOCCSc1ncc[nH]1 62a_100025796157_100000743108 [0,1,0,0,0,0|3,0,0]=4 3068 B13R1.119 CCCCOCCSc1ncco1 62a_100000743108_100011787736 [0,1,0,0,0,0|2,0,0]=3 3069 B13R1.119 CCCCOCCSc1ncco1 62a_100011787736_100000743108 [0,1,0,0,0,0|2,0,0]=3 3070 B13R1.119 CCCCOCCSc1nccs1 62a_100000211983_100000743108 [0,1,0,0,0,0|2,1,0]=4 3071 B13R1.119 CCCCOCCSc1nccs1 62a_100000743108_100000211983 [0,1,0,0,0,0|2,1,0]=4 3072 B13R1.119 CCCCOCNCc1ccco1 2230a_100000185738_100011995733 [0,1,0,0,0,0|1,0,0]=2 3073 B13R1.119 CCCCOCNCc1ccco1 34a_100000185738_100011995733 [0,1,0,0,0,0|1,0,0]=2 3074 B13R1.119 CCCCOCNCc1cccs1 2230a_100000211653_100011995733 [0,1,0,0,0,0|1,1,0]=3 3075 B13R1.119 CCCCOCNCc1ccoc1 2230a_100015206860_100011995733 [0,1,0,0,0,0|3,0,0]=4 3076 B13R1.119 CCCCOCNCc1ccoc1 34a_100015206860_100011995733 [0,1,0,0,0,0|3,0,0]=4 3077 B13R1.119 CCCCOCNCc1ccsc1 2230a_100000186416_100011995733 [0,1,0,0,0,0|3,0,0]=4 3078 B13R1.119 CCCCOCNCc1ccsc1 34a_100000186416_100011995733 [0,1,0,0,0,0|3,0,0]=4 3079 B13R1.119 CCCCOCNCc1cncs1 2230a_100016987365_100011995733 [0,1,0,0,0,0|2,1,0]=4 3080 B13R1.119 CCCCOCNCc1cscn1 2230a_100015185402_100011995733 [0,1,0,0,0,0|3,0,0]=4 3081 B13R1.119 CCCCOCNCc1ncco1 2230a_100016994969_100011995733 [0,1,0,0,0,0|2,0,0]=3 3082 B13R1.119 CCCCOCNCc1nccs1 2230a_100000740555_100011995733 [0,1,0,0,0,0|2,1,0]=4 3083 B13R1.119 CCCCOCOCc1ccco1 34a_100000210059_100011995733 [0,1,0,0,0,0|1,0,0]=2 3084 B13R1.119 CCCCOCOCc1cccs1 34a_100000211240_100011995733 [0,1,0,0,0,0|1,1,0]=3 3085 B13R1.119 CCCCOCOCc1ccno1 34a_100000740478_100011995733 [0,1,0,0,0,0|2,0,0]=3 3086 B13R1.119 CCCCOCOCc1ccoc1 34a_100011215357_100011995733 [0,1,0,0,0,0|3,0,0]=4 3087 B13R1.119 CCCCOCOCc1ccsc1 34a_100011215551_100011995733 [0,1,0,0,0,0|3,0,0]=4 3088 B13R1.119 CCCCOCOCc1ncco1 34a_100000062594_100011995733 [0,1,0,0,0,0|2,0,0]=3 3089 B13R1.119 CCCCOCOCn1cccn1 34a_100000731028_100011995733 [0,1,0,0,0,0|3,0,0]=4 3090 B13R1.119 CCCCOCSCc1c[nH]cn1 62a_100000707719_100011995733 [0,1,0,0,0,0|3,0,0]=4 3091 B13R1.119 CCCCOCSCc1c[nH]cn1 62a_100011995733_100000707719 [0,1,0,0,0,0|3,0,0]=4 3092 B13R1.119 CCCCOCSCc1ccn[nH]1 62a_100000728653_100011995733 [0,1,0,0,0,0|3,0,0]=4 3093 B13R1.119 CCCCOCSCc1ccn[nH]1 62a_100011995733_100000728653 [0,1,0,0,0,0|3,0,0]=4 3094 B13R1.119 CCCCOCSCc1ccon1 62a_100000234950_100011995733 [0,1,0,0,0,0|3,0,0]=4 3095 B13R1.119 CCCCOCSCc1ccon1 62a_100011995733_100000234950 [0,1,0,0,0,0|3,0,0]=4 3096 B13R1.119 CCCCOCSCc1ccsc1 62a_100011261437_100011995733 [0,1,0,0,0,0|3,0,0]=4 3097 B13R1.119 CCCCOCSCc1ccsc1 62a_100011995733_100011233845 [0,1,0,0,0,0|3,0,0]=4 3098 B13R1.119 CCCCOCSCc1cncs1 62a_100011995733_100015185245 [0,1,0,0,0,0|2,1,0]=4 3099 B13R1.119 CCCCOCSCc1cncs1 62a_100015185245_100011995733 [0,1,0,0,0,0|2,1,0]=4 3100 B13R1.119 CCCCOCSCc1cscn1 62a_100000205941_100011995733 [0,1,0,0,0,0|3,0,0]=4 3101 B13R1.119 CCCCOCSCc1cscn1 62a_100011995733_100000205941 [0,1,0,0,0,0|3,0,0]=4 3102 B13R1.119 CCCCOCSCc1ncc[nH]1 62a_100011995733_100016991755 [0,1,0,0,0,0|3,0,0]=4 3103 B13R1.119 CCCCOCSCc1ncc[nH]1 62a_100016991755_100011995733 [0,1,0,0,0,0|3,0,0]=4 3104 B13R1.119 CCCCOCSCc1ncco1 62a_100011995733_103436540062 [0,1,0,0,0,0|2,0,0]=3 3105 B13R1.119 CCCCOCSCc1ncco1 62a_103436540062_100011995733 [0,1,0,0,0,0|2,0,0]=3 3106 B13R1.119 CCCCOCSCc1nccs1 62a_100011995733_100015184050 [0,1,0,0,0,0|2,1,0]=4 3107 B13R1.119 CCCCOCSCc1nccs1 62a_100015184050_100011995733 [0,1,0,0,0,0|2,1,0]=4 3108 B13R1.119 CCCCSCCCc1cccs1 62a_100000210211_100010992444 [0,1,0,0,0,0|0,1,0]=2 3109 B13R1.119 CCCCSCCCc1cccs1 62a_100010992444_100000210210 [0,1,0,0,0,0|0,1,0]=2 3110 B13R1.119 CCCCSCCCn1cccc1 62a_100000210211_200009814367 [0,1,0,0,0,0|2,0,0]=3 3111 B13R1.119 CCCCSCCCn1cccc1 62a_200009814367_100000210210 [0,1,0,0,0,0|2,0,0]=3 3112 B13R1.119 CCCCSCCCn1cccn1 62a_100000210211_100000739983 [0,1,0,0,0,0|2,0,0]=3 3113 B13R1.119 CCCCSCCCn1cccn1 62a_100000739983_100000210210 [0,1,0,0,0,0|2,0,0]=3 3114 B13R1.119 CCCCSCCCn1ccnc1 62a_100000210211_100000756272 [0,1,0,0,0,0|3,0,0]=4 3115 B13R1.119 CCCCSCCCn1ccnc1 62a_100000756272_100000210210 [0,1,0,0,0,0|3,0,0]=4 3116 B13R1.119 CCCCSCCCn1cncn1 62a_100000210211_100102700105 [0,1,0,0,0,0|3,0,0]=4 3117 B13R1.119 CCCCSCCCn1cncn1 62a_100102700105_100000210210 [0,1,0,0,0,0|3,0,0]=4 3118 B13R1.119 CCCNCCSCc1ccco1 2230a_100000184675_100000210303 [0,1,0,0,0,0|1,0,0]=2 3119 B13R1.119 CCCNCCSCc1ccco1 7a_100000184675_100000210303 [0,1,0,0,0,0|1,0,0]=2 3120 B13R1.119 CCCOCCNCc1c[nH]cn1 2230a_100161115042_100000707719 [0,1,0,0,0,0|3,0,0]=4 3121 B13R1.119 CCCOCCNCc1c[nH]cn1 34a_100161115042_100000707719 [0,1,0,0,0,0|3,0,0]=4 3122 B13R1.119 CCCOCCNCc1cc[nH]n1 207a_100161115042_100000738523 [0,1,0,0,0,0|3,0,0]=4 3123 B13R1.119 CCCOCCNCc1cc[nH]n1 270004a_100161115042_100000738523 [0,1,0,0,0,0|3,0,0]=4 3124 B13R1.119 CCCOCCNCc1ccco1 207a_100161115042_100000186105 [0,1,0,0,0,0|1,0,0]=2 3125 B13R1.119 CCCOCCNCc1ccco1 2230a_100000185738_100011215938 [0,1,0,0,0,0|1,0,0]=2 3126 B13R1.119 CCCOCCNCc1ccco1 270004a_100161115042_100000186105 [0,1,0,0,0,0|1,0,0]=2 3127 B13R1.119 CCCOCCNCc1ccco1 34a_100000185738_100011215938 [0,1,0,0,0,0|1,0,0]=2 3128 B13R1.119 CCCOCCNCc1cccs1 207a_100161115042_100000209959 [0,1,0,0,0,0|1,1,0]=3 3129 B13R1.119 CCCOCCNCc1cccs1 2230a_100000211653_100011215938 [0,1,0,0,0,0|1,1,0]=3 3130 B13R1.119 CCCOCCNCc1cccs1 270004a_100161115042_100000209959 [0,1,0,0,0,0|1,1,0]=3 3131 B13R1.119 CCCOCCNCc1ccn[nH]1 2230a_100161115042_100000728653 [0,1,0,0,0,0|3,0,0]=4 3132 B13R1.119 CCCOCCNCc1ccn[nH]1 34a_100161115042_100000728653 [0,1,0,0,0,0|3,0,0]=4 3133 B13R1.119 CCCOCCNCc1ccoc1 207a_100161115042_100011215517 [0,1,0,0,0,0|3,0,0]=4 3134 B13R1.119 CCCOCCNCc1ccoc1 2230a_100015206860_100011215938 [0,1,0,0,0,0|3,0,0]=4 3135 B13R1.119 CCCOCCNCc1ccoc1 270004a_100161115042_100011215517 [0,1,0,0,0,0|3,0,0]=4 3136 B13R1.119 CCCOCCNCc1ccoc1 34a_100015206860_100011215938 [0,1,0,0,0,0|3,0,0]=4 3137 B13R1.119 CCCOCCNCc1ccon1 2230a_100161115042_100000234950 [0,1,0,0,0,0|3,0,0]=4 3138 B13R1.119 CCCOCCNCc1ccon1 34a_100161115042_100000234950 [0,1,0,0,0,0|3,0,0]=4 3139 B13R1.119 CCCOCCNCc1ccsc1 207a_100161115042_100000188534 [0,1,0,0,0,0|3,0,0]=4 3140 B13R1.119 CCCOCCNCc1ccsc1 2230a_100000186416_100011215938 [0,1,0,0,0,0|3,0,0]=4 3141 B13R1.119 CCCOCCNCc1ccsc1 2230a_100161115042_100011261437 [0,1,0,0,0,0|3,0,0]=4 3142 B13R1.119 CCCOCCNCc1ccsc1 270004a_100161115042_100000188534 [0,1,0,0,0,0|3,0,0]=4 3143 B13R1.119 CCCOCCNCc1ccsc1 34a_100000186416_100011215938 [0,1,0,0,0,0|3,0,0]=4 3144 B13R1.119 CCCOCCNCc1ccsc1 34a_100161115042_100011261437 [0,1,0,0,0,0|3,0,0]=4 3145 B13R1.119 CCCOCCNCc1cnc[nH]1 207a_100161115042_100000742939 [0,1,0,0,0,0|3,0,0]=4 3146 B13R1.119 CCCOCCNCc1cnco1 270004a_100161115042_100000064291 [0,1,0,0,0,0|2,0,0]=3 3147 B13R1.119 CCCOCCNCc1cncs1 207a_100161115042_100000749870 [0,1,0,0,0,0|2,1,0]=4 3148 B13R1.119 CCCOCCNCc1cncs1 2230a_100016987365_100011215938 [0,1,0,0,0,0|2,1,0]=4 3149 B13R1.119 CCCOCCNCc1cncs1 2230a_100161115042_100015185245 [0,1,0,0,0,0|2,1,0]=4 3150 B13R1.119 CCCOCCNCc1cncs1 270004a_100161115042_100000749870 [0,1,0,0,0,0|2,1,0]=4 3151 B13R1.119 CCCOCCNCc1cncs1 34a_100161115042_100015185245 [0,1,0,0,0,0|2,1,0]=4 3152 B13R1.119 CCCOCCNCc1cocn1 270004a_100161115042_100000050382 [0,1,0,0,0,0|3,0,0]=4 3153 B13R1.119 CCCOCCNCc1cscn1 207a_100161115042_100000743575 [0,1,0,0,0,0|3,0,0]=4 3154 B13R1.119 CCCOCCNCc1cscn1 2230a_100015185402_100011215938 [0,1,0,0,0,0|3,0,0]=4 3155 B13R1.119 CCCOCCNCc1cscn1 2230a_100161115042_100000205941 [0,1,0,0,0,0|3,0,0]=4 3156 B13R1.119 CCCOCCNCc1cscn1 270004a_100161115042_100000743575 [0,1,0,0,0,0|3,0,0]=4 3157 B13R1.119 CCCOCCNCc1cscn1 34a_100161115042_100000205941 [0,1,0,0,0,0|3,0,0]=4 3158 B13R1.119 CCCOCCNCc1ncc[nH]1 207a_100161115042_100000743867 [0,1,0,0,0,0|3,0,0]=4 3159 B13R1.119 CCCOCCNCc1ncc[nH]1 2230a_100161115042_100016991755 [0,1,0,0,0,0|3,0,0]=4 3160 B13R1.119 CCCOCCNCc1ncc[nH]1 34a_100161115042_100016991755 [0,1,0,0,0,0|3,0,0]=4 3161 B13R1.119 CCCOCCNCc1ncco1 2230a_100016994969_100011215938 [0,1,0,0,0,0|2,0,0]=3 3162 B13R1.119 CCCOCCNCc1ncco1 2230a_100161115042_103436540062 [0,1,0,0,0,0|2,0,0]=3 3163 B13R1.119 CCCOCCNCc1ncco1 270004a_100161115042_100000064290 [0,1,0,0,0,0|2,0,0]=3 3164 B13R1.119 CCCOCCNCc1ncco1 34a_100161115042_103436540062 [0,1,0,0,0,0|2,0,0]=3 3165 B13R1.119 CCCOCCNCc1nccs1 207a_100161115042_100000750902 [0,1,0,0,0,0|2,1,0]=4 3166 B13R1.119 CCCOCCNCc1nccs1 2230a_100000740555_100011215938 [0,1,0,0,0,0|2,1,0]=4 3167 B13R1.119 CCCOCCNCc1nccs1 2230a_100161115042_100015184050 [0,1,0,0,0,0|2,1,0]=4 3168 B13R1.119 CCCOCCNCc1nccs1 270004a_100161115042_100000750902 [0,1,0,0,0,0|2,1,0]=4 3169 B13R1.119 CCCOCCNCc1nccs1 34a_100161115042_100015184050 [0,1,0,0,0,0|2,1,0]=4 3170 B13R1.119 CCCOCCOCc1c[nH]cn1 34a_100000752267_100000707719 [0,1,0,0,0,0|3,0,0]=4 3171 B13R1.119 CCCOCCOCc1ccco1 34a_100000210059_100011215938 [0,1,0,0,0,0|1,0,0]=2 3172 B13R1.119 CCCOCCOCc1cccs1 34a_100000211240_100011215938 [0,1,0,0,0,0|1,1,0]=3 3173 B13R1.119 CCCOCCOCc1ccn[nH]1 34a_100000752267_100000728653 [0,1,0,0,0,0|3,0,0]=4 3174 B13R1.119 CCCOCCOCc1ccn[nH]1 7a_100000752267_100000728653 [0,1,0,0,0,0|3,0,0]=4 3175 B13R1.119 CCCOCCOCc1ccno1 34a_100000740478_100011215938 [0,1,0,0,0,0|2,0,0]=3 3176 B13R1.119 CCCOCCOCc1ccoc1 34a_100011215357_100011215938 [0,1,0,0,0,0|3,0,0]=4 3177 B13R1.119 CCCOCCOCc1ccon1 34a_100000752267_100000234950 [0,1,0,0,0,0|3,0,0]=4 3178 B13R1.119 CCCOCCOCc1ccon1 7a_100000752267_100000234950 [0,1,0,0,0,0|3,0,0]=4 3179 B13R1.119 CCCOCCOCc1ccsc1 34a_100000752267_100011261437 [0,1,0,0,0,0|3,0,0]=4 3180 B13R1.119 CCCOCCOCc1ccsc1 34a_100011215551_100011215938 [0,1,0,0,0,0|3,0,0]=4 3181 B13R1.119 CCCOCCOCc1ccsc1 7a_100000752267_100011261437 [0,1,0,0,0,0|3,0,0]=4 3182 B13R1.119 CCCOCCOCc1cncs1 34a_100000752267_100015185245 [0,1,0,0,0,0|2,1,0]=4 3183 B13R1.119 CCCOCCOCc1cncs1 7a_100000752267_100015185245 [0,1,0,0,0,0|2,1,0]=4 3184 B13R1.119 CCCOCCOCc1cscn1 34a_100000752267_100000205941 [0,1,0,0,0,0|3,0,0]=4 3185 B13R1.119 CCCOCCOCc1cscn1 7a_100000752267_100000205941 [0,1,0,0,0,0|3,0,0]=4 3186 B13R1.119 CCCOCCOCc1ncc[nH]1 34a_100000752267_100016991755 [0,1,0,0,0,0|3,0,0]=4 3187 B13R1.119 CCCOCCOCc1ncc[nH]1 7a_100000752267_100000753453 [0,1,0,0,0,0|3,0,0]=4 3188 B13R1.119 CCCOCCOCc1ncco1 34a_100000062594_100011215938 [0,1,0,0,0,0|2,0,0]=3 3189 B13R1.119 CCCOCCOCc1ncco1 34a_100000752267_103436540062 [0,1,0,0,0,0|2,0,0]=3 3190 B13R1.119 CCCOCCOCc1ncco1 7a_100000752267_103436540062 [0,1,0,0,0,0|2,0,0]=3 3191 B13R1.119 CCCOCCOCc1nccs1 34a_100000752267_100015184050 [0,1,0,0,0,0|2,1,0]=4 3192 B13R1.119 CCCOCCOCc1nccs1 7a_100000752267_100015184050 [0,1,0,0,0,0|2,1,0]=4 3193 B13R1.119 CCCOCCOCn1cccn1 34a_100000731028_100011215938 [0,1,0,0,0,0|3,0,0]=4 3194 B13R1.119 CCCOCCSCc1c[nH]cn1 62a_100000707719_100011215938 [0,1,0,0,0,0|3,0,0]=4 3195 B13R1.119 CCCOCCSCc1c[nH]cn1 62a_100011215938_100000707719 [0,1,0,0,0,0|3,0,0]=4 3196 B13R1.119 CCCOCCSCc1ccn[nH]1 62a_100000728653_100011215938 [0,1,0,0,0,0|3,0,0]=4 3197 B13R1.119 CCCOCCSCc1ccn[nH]1 62a_100011215938_100000728653 [0,1,0,0,0,0|3,0,0]=4 3198 B13R1.119 CCCOCCSCc1ccon1 62a_100000234950_100011215938 [0,1,0,0,0,0|3,0,0]=4 3199 B13R1.119 CCCOCCSCc1ccon1 62a_100011215938_100000234950 [0,1,0,0,0,0|3,0,0]=4 3200 B13R1.119 CCCOCCSCc1ccsc1 62a_100011215938_100011233845 [0,1,0,0,0,0|3,0,0]=4 3201 B13R1.119 CCCOCCSCc1ccsc1 62a_100011261437_100011215938 [0,1,0,0,0,0|3,0,0]=4 3202 B13R1.119 CCCOCCSCc1cncs1 62a_100011215938_100015185245 [0,1,0,0,0,0|2,1,0]=4 3203 B13R1.119 CCCOCCSCc1cncs1 62a_100015185245_100011215938 [0,1,0,0,0,0|2,1,0]=4 3204 B13R1.119 CCCOCCSCc1cscn1 62a_100000205941_100011215938 [0,1,0,0,0,0|3,0,0]=4 3205 B13R1.119 CCCOCCSCc1cscn1 62a_100011215938_100000205941 [0,1,0,0,0,0|3,0,0]=4 3206 B13R1.119 CCCOCCSCc1ncc[nH]1 62a_100011215938_100016991755 [0,1,0,0,0,0|3,0,0]=4 3207 B13R1.119 CCCOCCSCc1ncc[nH]1 62a_100016991755_100011215938 [0,1,0,0,0,0|3,0,0]=4 3208 B13R1.119 CCCOCCSCc1ncco1 62a_100011215938_103436540062 [0,1,0,0,0,0|2,0,0]=3 3209 B13R1.119 CCCOCCSCc1ncco1 62a_103436540062_100011215938 [0,1,0,0,0,0|2,0,0]=3 3210 B13R1.119 CCCOCCSCc1nccs1 62a_100011215938_100015184050 [0,1,0,0,0,0|2,1,0]=4 3211 B13R1.119 CCCOCCSCc1nccs1 62a_100015184050_100011215938 [0,1,0,0,0,0|2,1,0]=4 3212 B13R1.119 CCCSCCNCc1c[nH]cn1 2230a_100020603323_100000707719 [0,1,0,0,0,0|3,0,0]=4 3213 B13R1.119 CCCSCCNCc1cc[nH]n1 207a_100020603323_100000738523 [0,1,0,0,0,0|3,0,0]=4 3214 B13R1.119 CCCSCCNCc1cc[nH]n1 270004a_100020603323_100000738523 [0,1,0,0,0,0|3,0,0]=4 3215 B13R1.119 CCCSCCNCc1ccco1 207a_100020603323_100000186105 [0,1,0,0,0,0|1,0,0]=2 3216 B13R1.119 CCCSCCNCc1ccco1 270004a_100020603323_100000186105 [0,1,0,0,0,0|1,0,0]=2 3217 B13R1.119 CCCSCCNCc1cccs1 207a_100020603323_100000209959 [0,1,0,0,0,0|1,1,0]=3 3218 B13R1.119 CCCSCCNCc1cccs1 270004a_100020603323_100000209959 [0,1,0,0,0,0|1,1,0]=3 3219 B13R1.119 CCCSCCNCc1ccn[nH]1 2230a_100020603323_100000728653 [0,1,0,0,0,0|3,0,0]=4 3220 B13R1.119 CCCSCCNCc1ccoc1 207a_100020603323_100011215517 [0,1,0,0,0,0|3,0,0]=4 3221 B13R1.119 CCCSCCNCc1ccoc1 270004a_100020603323_100011215517 [0,1,0,0,0,0|3,0,0]=4 3222 B13R1.119 CCCSCCNCc1ccon1 2230a_100020603323_100000234950 [0,1,0,0,0,0|3,0,0]=4 3223 B13R1.119 CCCSCCNCc1ccsc1 207a_100020603323_100000188534 [0,1,0,0,0,0|3,0,0]=4 3224 B13R1.119 CCCSCCNCc1ccsc1 2230a_100020603323_100011261437 [0,1,0,0,0,0|3,0,0]=4 3225 B13R1.119 CCCSCCNCc1ccsc1 270004a_100020603323_100000188534 [0,1,0,0,0,0|3,0,0]=4 3226 B13R1.119 CCCSCCNCc1cnc[nH]1 207a_100020603323_100000742939 [0,1,0,0,0,0|3,0,0]=4 3227 B13R1.119 CCCSCCNCc1cnco1 270004a_100020603323_100000064291 [0,1,0,0,0,0|2,0,0]=3 3228 B13R1.119 CCCSCCNCc1cncs1 207a_100020603323_100000749870 [0,1,0,0,0,0|2,1,0]=4 3229 B13R1.119 CCCSCCNCc1cncs1 2230a_100020603323_100015185245 [0,1,0,0,0,0|2,1,0]=4 3230 B13R1.119 CCCSCCNCc1cncs1 270004a_100020603323_100000749870 [0,1,0,0,0,0|2,1,0]=4 3231 B13R1.119 CCCSCCNCc1cocn1 270004a_100020603323_100000050382 [0,1,0,0,0,0|3,0,0]=4 3232 B13R1.119 CCCSCCNCc1cscn1 207a_100020603323_100000743575 [0,1,0,0,0,0|3,0,0]=4 3233 B13R1.119 CCCSCCNCc1cscn1 2230a_100020603323_100000205941 [0,1,0,0,0,0|3,0,0]=4 3234 B13R1.119 CCCSCCNCc1cscn1 270004a_100020603323_100000743575 [0,1,0,0,0,0|3,0,0]=4 3235 B13R1.119 CCCSCCNCc1ncc[nH]1 207a_100020603323_100000743867 [0,1,0,0,0,0|3,0,0]=4 3236 B13R1.119 CCCSCCNCc1ncc[nH]1 2230a_100020603323_100016991755 [0,1,0,0,0,0|3,0,0]=4 3237 B13R1.119 CCCSCCNCc1ncco1 2230a_100020603323_103436540062 [0,1,0,0,0,0|2,0,0]=3 3238 B13R1.119 CCCSCCNCc1ncco1 270004a_100020603323_100000064290 [0,1,0,0,0,0|2,0,0]=3 3239 B13R1.119 CCCSCCNCc1nccs1 207a_100020603323_100000750902 [0,1,0,0,0,0|2,1,0]=4 3240 B13R1.119 CCCSCCNCc1nccs1 2230a_100020603323_100015184050 [0,1,0,0,0,0|2,1,0]=4 3241 B13R1.119 CCCSCCNCc1nccs1 270004a_100020603323_100000750902 [0,1,0,0,0,0|2,1,0]=4 3242 B13R1.119 CCCSCCOCc1c[nH]cn1 34a_200000230433_100000707719 [0,1,0,0,0,0|3,0,0]=4 3243 B13R1.119 CCCSCCOCc1ccn[nH]1 34a_200000230433_100000728653 [0,1,0,0,0,0|3,0,0]=4 3244 B13R1.119 CCCSCCOCc1ccn[nH]1 7a_200000230433_100000728653 [0,1,0,0,0,0|3,0,0]=4 3245 B13R1.119 CCCSCCOCc1ccon1 34a_200000230433_100000234950 [0,1,0,0,0,0|3,0,0]=4 3246 B13R1.119 CCCSCCOCc1ccon1 7a_200000230433_100000234950 [0,1,0,0,0,0|3,0,0]=4 3247 B13R1.119 CCCSCCOCc1ccsc1 34a_200000230433_100011261437 [0,1,0,0,0,0|3,0,0]=4 3248 B13R1.119 CCCSCCOCc1ccsc1 7a_200000230433_100011261437 [0,1,0,0,0,0|3,0,0]=4 3249 B13R1.119 CCCSCCOCc1cncs1 34a_200000230433_100015185245 [0,1,0,0,0,0|2,1,0]=4 3250 B13R1.119 CCCSCCOCc1cncs1 7a_200000230433_100015185245 [0,1,0,0,0,0|2,1,0]=4 3251 B13R1.119 CCCSCCOCc1cscn1 34a_200000230433_100000205941 [0,1,0,0,0,0|3,0,0]=4 3252 B13R1.119 CCCSCCOCc1cscn1 7a_200000230433_100000205941 [0,1,0,0,0,0|3,0,0]=4 3253 B13R1.119 CCCSCCOCc1ncc[nH]1 34a_200000230433_100016991755 [0,1,0,0,0,0|3,0,0]=4 3254 B13R1.119 CCCSCCOCc1ncc[nH]1 7a_200000230433_100000753453 [0,1,0,0,0,0|3,0,0]=4 3255 B13R1.119 CCCSCCOCc1ncco1 34a_200000230433_103436540062 [0,1,0,0,0,0|2,0,0]=3 3256 B13R1.119 CCCSCCOCc1ncco1 7a_200000230433_103436540062 [0,1,0,0,0,0|2,0,0]=3 3257 B13R1.119 CCCSCCOCc1nccs1 34a_200000230433_100015184050 [0,1,0,0,0,0|2,1,0]=4 3258 B13R1.119 CCCSCCOCc1nccs1 7a_200000230433_100015184050 [0,1,0,0,0,0|2,1,0]=4 3259 B13R1.119 CCOCCCNCc1c[nH]cn1 2230a_100000210961_100000707719 [0,1,0,0,0,0|3,0,0]=4 3260 B13R1.119 CCOCCCNCc1c[nH]cn1 34a_100000210961_100000707719 [0,1,0,0,0,0|3,0,0]=4 3261 B13R1.119 CCOCCCNCc1cc[nH]n1 207a_100000210961_100000738523 [0,1,0,0,0,0|3,0,0]=4 3262 B13R1.119 CCOCCCNCc1cc[nH]n1 270004a_100000210961_100000738523 [0,1,0,0,0,0|3,0,0]=4 3263 B13R1.119 CCOCCCNCc1ccco1 207a_100000210961_100000186105 [0,1,0,0,0,0|1,0,0]=2 3264 B13R1.119 CCOCCCNCc1ccco1 2230a_100000185738_100012232248 [0,1,0,0,0,0|1,0,0]=2 3265 B13R1.119 CCOCCCNCc1ccco1 270004a_100000210961_100000186105 [0,1,0,0,0,0|1,0,0]=2 3266 B13R1.119 CCOCCCNCc1ccco1 34a_100000185738_100012232248 [0,1,0,0,0,0|1,0,0]=2 3267 B13R1.119 CCOCCCNCc1cccs1 207a_100000210961_100000209959 [0,1,0,0,0,0|1,1,0]=3 3268 B13R1.119 CCOCCCNCc1cccs1 2230a_100000211653_100012232248 [0,1,0,0,0,0|1,1,0]=3 3269 B13R1.119 CCOCCCNCc1cccs1 270004a_100000210961_100000209959 [0,1,0,0,0,0|1,1,0]=3 3270 B13R1.119 CCOCCCNCc1cccs1 34a_100015187169_100000210202 [0,1,0,0,0,0|1,1,0]=3 3271 B13R1.119 CCOCCCNCc1ccn[nH]1 2230a_100000210961_100000728653 [0,1,0,0,0,0|3,0,0]=4 3272 B13R1.119 CCOCCCNCc1ccn[nH]1 34a_100000210961_100000728653 [0,1,0,0,0,0|3,0,0]=4 3273 B13R1.119 CCOCCCNCc1ccoc1 207a_100000210961_100011215517 [0,1,0,0,0,0|3,0,0]=4 3274 B13R1.119 CCOCCCNCc1ccoc1 2230a_100015206860_100012232248 [0,1,0,0,0,0|3,0,0]=4 3275 B13R1.119 CCOCCCNCc1ccoc1 270004a_100000210961_100011215517 [0,1,0,0,0,0|3,0,0]=4 3276 B13R1.119 CCOCCCNCc1ccoc1 34a_100015206860_100012232248 [0,1,0,0,0,0|3,0,0]=4 3277 B13R1.119 CCOCCCNCc1ccon1 2230a_100000210961_100000234950 [0,1,0,0,0,0|3,0,0]=4 3278 B13R1.119 CCOCCCNCc1ccon1 34a_100000210961_100000234950 [0,1,0,0,0,0|3,0,0]=4 3279 B13R1.119 CCOCCCNCc1ccsc1 207a_100000210961_100000188534 [0,1,0,0,0,0|3,0,0]=4 3280 B13R1.119 CCOCCCNCc1ccsc1 2230a_100000186416_100012232248 [0,1,0,0,0,0|3,0,0]=4 3281 B13R1.119 CCOCCCNCc1ccsc1 2230a_100000210961_100011261437 [0,1,0,0,0,0|3,0,0]=4 3282 B13R1.119 CCOCCCNCc1ccsc1 270004a_100000210961_100000188534 [0,1,0,0,0,0|3,0,0]=4 3283 B13R1.119 CCOCCCNCc1ccsc1 34a_100000186416_100012232248 [0,1,0,0,0,0|3,0,0]=4 3284 B13R1.119 CCOCCCNCc1ccsc1 34a_100000210961_100011261437 [0,1,0,0,0,0|3,0,0]=4 3285 B13R1.119 CCOCCCNCc1cnc[nH]1 207a_100000210961_100000742939 [0,1,0,0,0,0|3,0,0]=4 3286 B13R1.119 CCOCCCNCc1cnco1 270004a_100000210961_100000064291 [0,1,0,0,0,0|2,0,0]=3 3287 B13R1.119 CCOCCCNCc1cncs1 207a_100000210961_100000749870 [0,1,0,0,0,0|2,1,0]=4 3288 B13R1.119 CCOCCCNCc1cncs1 2230a_100000210961_100015185245 [0,1,0,0,0,0|2,1,0]=4 3289 B13R1.119 CCOCCCNCc1cncs1 2230a_100016987365_100012232248 [0,1,0,0,0,0|2,1,0]=4 3290 B13R1.119 CCOCCCNCc1cncs1 270004a_100000210961_100000749870 [0,1,0,0,0,0|2,1,0]=4 3291 B13R1.119 CCOCCCNCc1cncs1 34a_100000210961_100015185245 [0,1,0,0,0,0|2,1,0]=4 3292 B13R1.119 CCOCCCNCc1cocn1 270004a_100000210961_100000050382 [0,1,0,0,0,0|3,0,0]=4 3293 B13R1.119 CCOCCCNCc1cscn1 207a_100000210961_100000743575 [0,1,0,0,0,0|3,0,0]=4 3294 B13R1.119 CCOCCCNCc1cscn1 2230a_100000210961_100000205941 [0,1,0,0,0,0|3,0,0]=4 3295 B13R1.119 CCOCCCNCc1cscn1 2230a_100015185402_100012232248 [0,1,0,0,0,0|3,0,0]=4 3296 B13R1.119 CCOCCCNCc1cscn1 270004a_100000210961_100000743575 [0,1,0,0,0,0|3,0,0]=4 3297 B13R1.119 CCOCCCNCc1cscn1 34a_100000210961_100000205941 [0,1,0,0,0,0|3,0,0]=4 3298 B13R1.119 CCOCCCNCc1ncc[nH]1 207a_100000210961_100000743867 [0,1,0,0,0,0|3,0,0]=4 3299 B13R1.119 CCOCCCNCc1ncc[nH]1 2230a_100000210961_100016991755 [0,1,0,0,0,0|3,0,0]=4 3300 B13R1.119 CCOCCCNCc1ncc[nH]1 34a_100000210961_100016991755 [0,1,0,0,0,0|3,0,0]=4 3301 B13R1.119 CCOCCCNCc1ncco1 2230a_100000210961_103436540062 [0,1,0,0,0,0|2,0,0]=3 3302 B13R1.119 CCOCCCNCc1ncco1 2230a_100016994969_100012232248 [0,1,0,0,0,0|2,0,0]=3 3303 B13R1.119 CCOCCCNCc1ncco1 270004a_100000210961_100000064290 [0,1,0,0,0,0|2,0,0]=3 3304 B13R1.119 CCOCCCNCc1ncco1 34a_100000210961_103436540062 [0,1,0,0,0,0|2,0,0]=3 3305 B13R1.119 CCOCCCNCc1nccs1 207a_100000210961_100000750902 [0,1,0,0,0,0|2,1,0]=4 3306 B13R1.119 CCOCCCNCc1nccs1 2230a_100000210961_100015184050 [0,1,0,0,0,0|2,1,0]=4 3307 B13R1.119 CCOCCCNCc1nccs1 2230a_100000740555_100012232248 [0,1,0,0,0,0|2,1,0]=4 3308 B13R1.119 CCOCCCNCc1nccs1 270004a_100000210961_100000750902 [0,1,0,0,0,0|2,1,0]=4 3309 B13R1.119 CCOCCCNCc1nccs1 34a_100000210961_100015184050 [0,1,0,0,0,0|2,1,0]=4 3310 B13R1.119 CCOCCCOCc1c[nH]cn1 34a_100000757476_100000707719 [0,1,0,0,0,0|3,0,0]=4 3311 B13R1.119 CCOCCCOCc1ccco1 34a_100000210059_100012232248 [0,1,0,0,0,0|1,0,0]=2 3312 B13R1.119 CCOCCCOCc1cccs1 34a_100000211240_100012232248 [0,1,0,0,0,0|1,1,0]=3 3313 B13R1.119 CCOCCCOCc1ccn[nH]1 34a_100000757476_100000728653 [0,1,0,0,0,0|3,0,0]=4 3314 B13R1.119 CCOCCCOCc1ccn[nH]1 7a_100000757476_100000728653 [0,1,0,0,0,0|3,0,0]=4 3315 B13R1.119 CCOCCCOCc1ccno1 34a_100000740478_100012232248 [0,1,0,0,0,0|2,0,0]=3 3316 B13R1.119 CCOCCCOCc1ccoc1 34a_100011215357_100012232248 [0,1,0,0,0,0|3,0,0]=4 3317 B13R1.119 CCOCCCOCc1ccon1 34a_100000757476_100000234950 [0,1,0,0,0,0|3,0,0]=4 3318 B13R1.119 CCOCCCOCc1ccon1 7a_100000757476_100000234950 [0,1,0,0,0,0|3,0,0]=4 3319 B13R1.119 CCOCCCOCc1ccsc1 34a_100000757476_100011261437 [0,1,0,0,0,0|3,0,0]=4 3320 B13R1.119 CCOCCCOCc1ccsc1 34a_100011215551_100012232248 [0,1,0,0,0,0|3,0,0]=4 3321 B13R1.119 CCOCCCOCc1ccsc1 7a_100000757476_100011261437 [0,1,0,0,0,0|3,0,0]=4 3322 B13R1.119 CCOCCCOCc1cncs1 34a_100000757476_100015185245 [0,1,0,0,0,0|2,1,0]=4 3323 B13R1.119 CCOCCCOCc1cncs1 7a_100000757476_100015185245 [0,1,0,0,0,0|2,1,0]=4 3324 B13R1.119 CCOCCCOCc1cscn1 34a_100000757476_100000205941 [0,1,0,0,0,0|3,0,0]=4 3325 B13R1.119 CCOCCCOCc1cscn1 7a_100000757476_100000205941 [0,1,0,0,0,0|3,0,0]=4 3326 B13R1.119 CCOCCCOCc1ncc[nH]1 34a_100000757476_100016991755 [0,1,0,0,0,0|3,0,0]=4 3327 B13R1.119 CCOCCCOCc1ncc[nH]1 7a_100000757476_100000753453 [0,1,0,0,0,0|3,0,0]=4 3328 B13R1.119 CCOCCCOCc1ncco1 34a_100000062594_100012232248 [0,1,0,0,0,0|2,0,0]=3 3329 B13R1.119 CCOCCCOCc1ncco1 34a_100000757476_103436540062 [0,1,0,0,0,0|2,0,0]=3 3330 B13R1.119 CCOCCCOCc1ncco1 7a_100000757476_103436540062 [0,1,0,0,0,0|2,0,0]=3 3331 B13R1.119 CCOCCCOCc1nccs1 34a_100000757476_100015184050 [0,1,0,0,0,0|2,1,0]=4 3332 B13R1.119 CCOCCCOCc1nccs1 7a_100000757476_100015184050 [0,1,0,0,0,0|2,1,0]=4 3333 B13R1.119 CCOCCCOCn1cccn1 34a_100000731028_100012232248 [0,1,0,0,0,0|3,0,0]=4 3334 B13R1.119 CCOCCCSCc1c[nH]cn1 62a_100000707719_100012232248 [0,1,0,0,0,0|3,0,0]=4 3335 B13R1.119 CCOCCCSCc1c[nH]cn1 62a_100012232248_100000707719 [0,1,0,0,0,0|3,0,0]=4 3336 B13R1.119 CCOCCCSCc1ccn[nH]1 62a_100000728653_100012232248 [0,1,0,0,0,0|3,0,0]=4 3337 B13R1.119 CCOCCCSCc1ccn[nH]1 62a_100012232248_100000728653 [0,1,0,0,0,0|3,0,0]=4 3338 B13R1.119 CCOCCCSCc1ccon1 62a_100000234950_100012232248 [0,1,0,0,0,0|3,0,0]=4 3339 B13R1.119 CCOCCCSCc1ccon1 62a_100012232248_100000234950 [0,1,0,0,0,0|3,0,0]=4 3340 B13R1.119 CCOCCCSCc1ccsc1 62a_100011261437_100012232248 [0,1,0,0,0,0|3,0,0]=4 3341 B13R1.119 CCOCCCSCc1ccsc1 62a_100012232248_100011233845 [0,1,0,0,0,0|3,0,0]=4 3342 B13R1.119 CCOCCCSCc1cncs1 62a_100012232248_100015185245 [0,1,0,0,0,0|2,1,0]=4 3343 B13R1.119 CCOCCCSCc1cncs1 62a_100015185245_100012232248 [0,1,0,0,0,0|2,1,0]=4 3344 B13R1.119 CCOCCCSCc1cscn1 62a_100000205941_100012232248 [0,1,0,0,0,0|3,0,0]=4 3345 B13R1.119 CCOCCCSCc1cscn1 62a_100012232248_100000205941 [0,1,0,0,0,0|3,0,0]=4 3346 B13R1.119 CCOCCCSCc1ncc[nH]1 62a_100012232248_100016991755 [0,1,0,0,0,0|3,0,0]=4 3347 B13R1.119 CCOCCCSCc1ncc[nH]1 62a_100016991755_100012232248 [0,1,0,0,0,0|3,0,0]=4 3348 B13R1.119 CCOCCCSCc1ncco1 62a_100012232248_103436540062 [0,1,0,0,0,0|2,0,0]=3 3349 B13R1.119 CCOCCCSCc1ncco1 62a_103436540062_100012232248 [0,1,0,0,0,0|2,0,0]=3 3350 B13R1.119 CCOCCCSCc1nccs1 62a_100012232248_100015184050 [0,1,0,0,0,0|2,1,0]=4 3351 B13R1.119 CCOCCCSCc1nccs1 62a_100015184050_100012232248 [0,1,0,0,0,0|2,1,0]=4 3352 B13R1.119 CCOCCNCCc1c[nH]cn1 2230a_102516460346_100020628418 [0,1,0,0,0,0|3,0,0]=4 3353 B13R1.119 CCOCCNCCc1ccco1 2230a_100000694680_100011215890 [0,1,0,0,0,0|1,0,0]=2 3354 B13R1.119 CCOCCNCCc1ccco1 34a_100000694680_100000210147 [0,1,0,0,0,0|1,0,0]=2 3355 B13R1.119 CCOCCNCCc1cccs1 2230a_100000203755_100011215890 [0,1,0,0,0,0|1,1,0]=3 3356 B13R1.119 CCOCCNCCc1cccs1 2230a_102516460346_100000748579 [0,1,0,0,0,0|1,1,0]=3 3357 B13R1.119 CCOCCNCCc1cccs1 34a_100000203755_100000210147 [0,1,0,0,0,0|1,1,0]=3 3358 B13R1.119 CCOCCNCCc1cccs1 34a_102516460346_100000748579 [0,1,0,0,0,0|1,1,0]=3 3359 B13R1.119 CCOCCNCCc1ccsc1 2230a_100000692642_100011215890 [0,1,0,0,0,0|3,0,0]=4 3360 B13R1.119 CCOCCNCCc1ccsc1 34a_100000692642_100000210147 [0,1,0,0,0,0|3,0,0]=4 3361 B13R1.119 CCOCCNCCc1cncs1 2230a_100016991637_100011215890 [0,1,0,0,0,0|2,1,0]=4 3362 B13R1.119 CCOCCNCCc1nccs1 2230a_100015186391_100011215890 [0,1,0,0,0,0|2,1,0]=4 3363 B13R1.119 CCOCCNCCn1cccc1 2230a_102516460346_200009811947 [0,1,0,0,0,0|3,0,0]=4 3364 B13R1.119 CCOCCNCCn1cccc1 34a_100011368172_100000210147 [0,1,0,0,0,0|3,0,0]=4 3365 B13R1.119 CCOCCNCCn1cccn1 2230a_100011200920_100011215890 [0,1,0,0,0,0|3,0,0]=4 3366 B13R1.119 CCOCCNCCn1cccn1 2230a_102516460346_100000685285 [0,1,0,0,0,0|3,0,0]=4 3367 B13R1.119 CCOCCNCCn1cccn1 34a_102516460346_100015204718 [0,1,0,0,0,0|3,0,0]=4 3368 B13R1.119 CCOCCNN=Cc1ccco1 4a_100000732670_100000186105 [0,1,0,0,0,0|2,0,1]=4 3369 B13R1.119 CCOCCOCCc1c[nH]cn1 7a_100000210136_100020628418 [0,1,0,0,0,0|3,0,0]=4 3370 B13R1.119 CCOCCOCCc1cccs1 34a_100000210136_100000748579 [0,1,0,0,0,0|1,1,0]=3 3371 B13R1.119 CCOCCOCCc1cccs1 34a_100011216825_100000210147 [0,1,0,0,0,0|1,1,0]=3 3372 B13R1.119 CCOCCOCCc1cccs1 7a_100000210136_100000748579 [0,1,0,0,0,0|1,1,0]=3 3373 B13R1.119 CCOCCOCCc1cccs1 7a_100011216825_100011215890 [0,1,0,0,0,0|1,1,0]=3 3374 B13R1.119 CCOCCOCCc1ccsc1 34a_100000748821_100000210147 [0,1,0,0,0,0|3,0,0]=4 3375 B13R1.119 CCOCCOCCc1ncc[nH]1 34a_103549771195_100000210147 [0,1,0,0,0,0|3,0,0]=4 3376 B13R1.119 CCOCCOCCn1cccc1 34a_100000179382_100000210147 [0,1,0,0,0,0|3,0,0]=4 3377 B13R1.119 CCOCCOCCn1cccc1 7a_100000210136_200000035178 [0,1,0,0,0,0|3,0,0]=4 3378 B13R1.119 CCOCCOCCn1cccn1 34a_100000210136_100015204718 [0,1,0,0,0,0|3,0,0]=4 3379 B13R1.119 CCOCCOCCn1cccn1 34a_100000743371_100000210147 [0,1,0,0,0,0|3,0,0]=4 3380 B13R1.119 CCOCCOCCn1cccn1 7a_100000210136_100000685285 [0,1,0,0,0,0|3,0,0]=4 3381 B13R1.119 CCOCCSCCc1c[nH]cn1 62a_100000210147_100020628418 [0,1,0,0,0,0|3,0,0]=4 3382 B13R1.119 CCOCCSCCc1c[nH]cn1 62a_100020628418_100011215890 [0,1,0,0,0,0|3,0,0]=4 3383 B13R1.119 CCOCCSCCc1cccs1 62a_100000210147_100000748579 [0,1,0,0,0,0|1,1,0]=3 3384 B13R1.119 CCOCCSCCc1cccs1 62a_100000748579_100011215890 [0,1,0,0,0,0|1,1,0]=3 3385 B13R1.119 CCOCCSCCn1cccc1 62a_100000210147_200000035178 [0,1,0,0,0,0|3,0,0]=4 3386 B13R1.119 CCOCCSCCn1cccc1 62a_200009811947_100011215890 [0,1,0,0,0,0|3,0,0]=4 3387 B13R1.119 CCOCCSCCn1cccn1 62a_100000210147_100000685285 [0,1,0,0,0,0|3,0,0]=4 3388 B13R1.119 CCOCCSCCn1cccn1 62a_100015204718_100011215890 [0,1,0,0,0,0|3,0,0]=4 3389 B13R1.119 CCOCSCCCc1cccs1 62a_100000739092_100010992444 [0,1,0,0,0,0|1,1,0]=3 3390 B13R1.119 CCOCSCCCc1cccs1 62a_100010992444_100000739092 [0,1,0,0,0,0|1,1,0]=3 3391 B13R1.119 CCOCSCCCn1cccc1 62a_100000739092_200009814367 [0,1,0,0,0,0|3,0,0]=4 3392 B13R1.119 CCOCSCCCn1cccc1 62a_200009814367_100000739092 [0,1,0,0,0,0|3,0,0]=4 3393 B13R1.119 CCOCSCCCn1cccn1 62a_100000739092_100000739983 [0,1,0,0,0,0|3,0,0]=4 3394 B13R1.119 CCOCSCCCn1cccn1 62a_100000739983_100000739092 [0,1,0,0,0,0|3,0,0]=4 3395 B13R1.119 CCSCCCOCc1c[nH]cn1 34a_100011216438_100000707719 [0,1,0,0,0,0|3,0,0]=4 3396 B13R1.119 CCSCCCOCc1ccn[nH]1 34a_100011216438_100000728653 [0,1,0,0,0,0|3,0,0]=4 3397 B13R1.119 CCSCCCOCc1ccn[nH]1 7a_100011216438_100000728653 [0,1,0,0,0,0|3,0,0]=4 3398 B13R1.119 CCSCCCOCc1ccon1 34a_100011216438_100000234950 [0,1,0,0,0,0|3,0,0]=4 3399 B13R1.119 CCSCCCOCc1ccon1 7a_100011216438_100000234950 [0,1,0,0,0,0|3,0,0]=4 3400 B13R1.119 CCSCCCOCc1ccsc1 34a_100011216438_100011261437 [0,1,0,0,0,0|3,0,0]=4 3401 B13R1.119 CCSCCCOCc1ccsc1 7a_100011216438_100011261437 [0,1,0,0,0,0|3,0,0]=4 3402 B13R1.119 CCSCCCOCc1cncs1 34a_100011216438_100015185245 [0,1,0,0,0,0|2,1,0]=4 3403 B13R1.119 CCSCCCOCc1cncs1 7a_100011216438_100015185245 [0,1,0,0,0,0|2,1,0]=4 3404 B13R1.119 CCSCCCOCc1cscn1 34a_100011216438_100000205941 [0,1,0,0,0,0|3,0,0]=4 3405 B13R1.119 CCSCCCOCc1cscn1 7a_100011216438_100000205941 [0,1,0,0,0,0|3,0,0]=4 3406 B13R1.119 CCSCCCOCc1ncc[nH]1 34a_100011216438_100016991755 [0,1,0,0,0,0|3,0,0]=4 3407 B13R1.119 CCSCCCOCc1ncc[nH]1 7a_100011216438_100000753453 [0,1,0,0,0,0|3,0,0]=4 3408 B13R1.119 CCSCCCOCc1ncco1 34a_100011216438_103436540062 [0,1,0,0,0,0|2,0,0]=3 3409 B13R1.119 CCSCCCOCc1ncco1 7a_100011216438_103436540062 [0,1,0,0,0,0|2,0,0]=3 3410 B13R1.119 CCSCCCOCc1nccs1 34a_100011216438_100015184050 [0,1,0,0,0,0|2,1,0]=4 3411 B13R1.119 CCSCCCOCc1nccs1 7a_100011216438_100015184050 [0,1,0,0,0,0|2,1,0]=4 3412 B13R1.119 CCSCCNCCc1c[nH]cn1 2230a_100000106463_100020628418 [0,1,0,0,0,0|3,0,0]=4 3413 B13R1.119 CCSCCNCCc1ccco1 2230a_100000694680_100000757381 [0,1,0,0,0,0|1,0,0]=2 3414 B13R1.119 CCSCCNCCc1ccco1 34a_100000694680_100000757381 [0,1,0,0,0,0|1,0,0]=2 3415 B13R1.119 CCSCCNCCc1cccs1 2230a_100000106463_100000748579 [0,1,0,0,0,0|1,1,0]=3 3416 B13R1.119 CCSCCNCCc1cccs1 2230a_100000203755_100000757381 [0,1,0,0,0,0|1,1,0]=3 3417 B13R1.119 CCSCCNCCc1cccs1 34a_100000203755_100000757381 [0,1,0,0,0,0|1,1,0]=3 3418 B13R1.119 CCSCCNCCc1ccsc1 2230a_100000692642_100000757381 [0,1,0,0,0,0|3,0,0]=4 3419 B13R1.119 CCSCCNCCc1ccsc1 34a_100000692642_100000757381 [0,1,0,0,0,0|3,0,0]=4 3420 B13R1.119 CCSCCNCCc1cncs1 2230a_100016991637_100000757381 [0,1,0,0,0,0|2,1,0]=4 3421 B13R1.119 CCSCCNCCc1nccs1 2230a_100015186391_100000757381 [0,1,0,0,0,0|2,1,0]=4 3422 B13R1.119 CCSCCNCCn1cccc1 2230a_100000106463_200009811947 [0,1,0,0,0,0|3,0,0]=4 3423 B13R1.119 CCSCCNCCn1cccc1 34a_100011368172_100000757381 [0,1,0,0,0,0|3,0,0]=4 3424 B13R1.119 CCSCCNCCn1cccn1 2230a_100000106463_100000685285 [0,1,0,0,0,0|3,0,0]=4 3425 B13R1.119 CCSCCNCCn1cccn1 2230a_100011200920_100000757381 [0,1,0,0,0,0|3,0,0]=4 3426 B13R1.119 CCSCCOCCc1c[nH]cn1 7a_100000212035_100020628418 [0,1,0,0,0,0|3,0,0]=4 3427 B13R1.119 CCSCCOCCc1cccs1 34a_100000212035_100000748579 [0,1,0,0,0,0|1,1,0]=3 3428 B13R1.119 CCSCCOCCc1cccs1 34a_100011216825_100000757381 [0,1,0,0,0,0|1,1,0]=3 3429 B13R1.119 CCSCCOCCc1cccs1 7a_100000212035_100000748579 [0,1,0,0,0,0|1,1,0]=3 3430 B13R1.119 CCSCCOCCc1cccs1 7a_100011216825_100000757381 [0,1,0,0,0,0|1,1,0]=3 3431 B13R1.119 CCSCCOCCc1ccsc1 34a_100000748821_100000757381 [0,1,0,0,0,0|3,0,0]=4 3432 B13R1.119 CCSCCOCCc1ncc[nH]1 34a_103549771195_100000757381 [0,1,0,0,0,0|3,0,0]=4 3433 B13R1.119 CCSCCOCCn1cccc1 34a_100000179382_100000757381 [0,1,0,0,0,0|3,0,0]=4 3434 B13R1.119 CCSCCOCCn1cccc1 7a_100000212035_200000035178 [0,1,0,0,0,0|3,0,0]=4 3435 B13R1.119 CCSCCOCCn1cccn1 34a_100000212035_100015204718 [0,1,0,0,0,0|3,0,0]=4 3436 B13R1.119 CCSCCOCCn1cccn1 34a_100000743371_100000757381 [0,1,0,0,0,0|3,0,0]=4 3437 B13R1.119 CCSCCOCCn1cccn1 7a_100000212035_100000685285 [0,1,0,0,0,0|3,0,0]=4 3438 B13R1.119 CCSCCSCCc1c[nH]cn1 62a_100000757381_100020628418 [0,1,0,0,0,0|3,0,0]=4 3439 B13R1.119 CCSCCSCCc1c[nH]cn1 62a_100020628418_100000757381 [0,1,0,0,0,0|3,0,0]=4 3440 B13R1.119 CCSCCSCCc1cccs1 62a_100000748579_100000757381 [0,1,0,0,0,0|1,1,0]=3 3441 B13R1.119 CCSCCSCCc1cccs1 62a_100000757381_100000748579 [0,1,0,0,0,0|1,1,0]=3 3442 B13R1.119 CCSCCSCCn1cccc1 62a_100000757381_200000035178 [0,1,0,0,0,0|3,0,0]=4 3443 B13R1.119 CCSCCSCCn1cccc1 62a_200009811947_100000757381 [0,1,0,0,0,0|3,0,0]=4 3444 B13R1.119 CCSCCSCCn1cccn1 62a_100000757381_100000685285 [0,1,0,0,0,0|3,0,0]=4 3445 B13R1.119 CCSCCSCCn1cccn1 62a_100015204718_100000757381 [0,1,0,0,0,0|3,0,0]=4 3446 B13R1.119 CNCCCOCCc1cccs1 34a_100000213112_100000748579 [0,1,0,0,0,0|1,1,0]=3 3447 B13R1.119 CNCCCOCCn1cccn1 34a_100000213112_100015204718 [0,1,0,0,0,0|3,0,0]=4 3448 B13R1.119 COCCCCCCN1CC=CC1 269982a_100015195280_100011998445 [0,1,0,0,0,0|2,0,1]=4 3449 B13R1.119 COCCCCNCc1ccco1 2230a_100000185738_100000730899 [0,1,0,0,0,0|1,0,0]=2 3450 B13R1.119 COCCCCNCc1ccco1 34a_100000185738_100000755781 [0,1,0,0,0,0|1,0,0]=2 3451 B13R1.119 COCCCCNCc1cccs1 2230a_100000211653_100000730899 [0,1,0,0,0,0|1,1,0]=3 3452 B13R1.119 COCCCCNCc1ccoc1 2230a_100015206860_100000730899 [0,1,0,0,0,0|3,0,0]=4 3453 B13R1.119 COCCCCNCc1ccoc1 34a_100015206860_100000755781 [0,1,0,0,0,0|3,0,0]=4 3454 B13R1.119 COCCCCNCc1ccsc1 2230a_100000186416_100000730899 [0,1,0,0,0,0|3,0,0]=4 3455 B13R1.119 COCCCCNCc1ccsc1 34a_100000186416_100000755781 [0,1,0,0,0,0|3,0,0]=4 3456 B13R1.119 COCCCCNCc1cncs1 2230a_100016987365_100000730899 [0,1,0,0,0,0|2,1,0]=4 3457 B13R1.119 COCCCCNCc1cscn1 2230a_100015185402_100000730899 [0,1,0,0,0,0|3,0,0]=4 3458 B13R1.119 COCCCCNCc1ncco1 2230a_100016994969_100000730899 [0,1,0,0,0,0|2,0,0]=3 3459 B13R1.119 COCCCCNCc1nccs1 2230a_100000740555_100000730899 [0,1,0,0,0,0|2,1,0]=4 3460 B13R1.119 COCCCCOCc1c[nH]cn1 34a_100000740925_100000707719 [0,1,0,0,0,0|3,0,0]=4 3461 B13R1.119 COCCCCOCc1ccco1 34a_100000210059_100000755781 [0,1,0,0,0,0|1,0,0]=2 3462 B13R1.119 COCCCCOCc1cccs1 34a_100000211240_100000755781 [0,1,0,0,0,0|1,1,0]=3 3463 B13R1.119 COCCCCOCc1ccn[nH]1 34a_100000740925_100000728653 [0,1,0,0,0,0|3,0,0]=4 3464 B13R1.119 COCCCCOCc1ccno1 34a_100000740478_100000755781 [0,1,0,0,0,0|2,0,0]=3 3465 B13R1.119 COCCCCOCc1ccoc1 34a_100011215357_100000755781 [0,1,0,0,0,0|3,0,0]=4 3466 B13R1.119 COCCCCOCc1ccon1 34a_100000740925_100000234950 [0,1,0,0,0,0|3,0,0]=4 3467 B13R1.119 COCCCCOCc1ccsc1 34a_100000740925_100011261437 [0,1,0,0,0,0|3,0,0]=4 3468 B13R1.119 COCCCCOCc1ccsc1 34a_100011215551_100000755781 [0,1,0,0,0,0|3,0,0]=4 3469 B13R1.119 COCCCCOCc1cncs1 34a_100000740925_100015185245 [0,1,0,0,0,0|2,1,0]=4 3470 B13R1.119 COCCCCOCc1cscn1 34a_100000740925_100000205941 [0,1,0,0,0,0|3,0,0]=4 3471 B13R1.119 COCCCCOCc1ncc[nH]1 34a_100000740925_100016991755 [0,1,0,0,0,0|3,0,0]=4 3472 B13R1.119 COCCCCOCc1ncco1 34a_100000062594_100000755781 [0,1,0,0,0,0|2,0,0]=3 3473 B13R1.119 COCCCCOCc1ncco1 34a_100000740925_103436540062 [0,1,0,0,0,0|2,0,0]=3 3474 B13R1.119 COCCCCOCc1nccs1 34a_100000740925_100015184050 [0,1,0,0,0,0|2,1,0]=4 3475 B13R1.119 COCCCCOCn1cccn1 34a_100000731028_100000755781 [0,1,0,0,0,0|3,0,0]=4 3476 B13R1.119 COCCCCSCc1c[nH]cn1 62a_100000707719_100000730899 [0,1,0,0,0,0|3,0,0]=4 3477 B13R1.119 COCCCCSCc1c[nH]cn1 62a_100000730899_100000707719 [0,1,0,0,0,0|3,0,0]=4 3478 B13R1.119 COCCCCSCc1ccn[nH]1 62a_100000728653_100000730899 [0,1,0,0,0,0|3,0,0]=4 3479 B13R1.119 COCCCCSCc1ccn[nH]1 62a_100000730899_100000728653 [0,1,0,0,0,0|3,0,0]=4 3480 B13R1.119 COCCCCSCc1ccon1 62a_100000234950_100000730899 [0,1,0,0,0,0|3,0,0]=4 3481 B13R1.119 COCCCCSCc1ccon1 62a_100000730899_100000234950 [0,1,0,0,0,0|3,0,0]=4 3482 B13R1.119 COCCCCSCc1ccsc1 62a_100000730899_100011233845 [0,1,0,0,0,0|3,0,0]=4 3483 B13R1.119 COCCCCSCc1ccsc1 62a_100011261437_100000730899 [0,1,0,0,0,0|3,0,0]=4 3484 B13R1.119 COCCCCSCc1cncs1 62a_100000730899_100015185245 [0,1,0,0,0,0|2,1,0]=4 3485 B13R1.119 COCCCCSCc1cncs1 62a_100015185245_100000730899 [0,1,0,0,0,0|2,1,0]=4 3486 B13R1.119 COCCCCSCc1cscn1 62a_100000205941_100000730899 [0,1,0,0,0,0|3,0,0]=4 3487 B13R1.119 COCCCCSCc1cscn1 62a_100000730899_100000205941 [0,1,0,0,0,0|3,0,0]=4 3488 B13R1.119 COCCCCSCc1ncc[nH]1 62a_100000730899_100016991755 [0,1,0,0,0,0|3,0,0]=4 3489 B13R1.119 COCCCCSCc1ncc[nH]1 62a_100016991755_100000730899 [0,1,0,0,0,0|3,0,0]=4 3490 B13R1.119 COCCCCSCc1ncco1 62a_100000730899_103436540062 [0,1,0,0,0,0|2,0,0]=3 3491 B13R1.119 COCCCCSCc1ncco1 62a_103436540062_100000730899 [0,1,0,0,0,0|2,0,0]=3 3492 B13R1.119 COCCCCSCc1nccs1 62a_100000730899_100015184050 [0,1,0,0,0,0|2,1,0]=4 3493 B13R1.119 COCCCCSCc1nccs1 62a_100015184050_100000730899 [0,1,0,0,0,0|2,1,0]=4 3494 B13R1.119 COCCCNCCc1ccco1 2230a_100000694680_100000740836 [0,1,0,0,0,0|1,0,0]=2 3495 B13R1.119 COCCCNCCc1ccco1 34a_100000694680_100000740836 [0,1,0,0,0,0|1,0,0]=2 3496 B13R1.119 COCCCNCCc1cccs1 2230a_100000203755_100000740836 [0,1,0,0,0,0|1,1,0]=3 3497 B13R1.119 COCCCNCCc1cccs1 34a_100000203755_100000740836 [0,1,0,0,0,0|1,1,0]=3 3498 B13R1.119 COCCCNCCc1cccs1 34a_100150723488_100000748579 [0,1,0,0,0,0|1,1,0]=3 3499 B13R1.119 COCCCNCCc1ccsc1 2230a_100000692642_100000740836 [0,1,0,0,0,0|3,0,0]=4 3500 B13R1.119 COCCCNCCc1ccsc1 34a_100000692642_100000740836 [0,1,0,0,0,0|3,0,0]=4 3501 B13R1.119 COCCCNCCc1cncs1 2230a_100016991637_100000740836 [0,1,0,0,0,0|2,1,0]=4 3502 B13R1.119 COCCCNCCc1nccs1 2230a_100015186391_100000740836 [0,1,0,0,0,0|2,1,0]=4 3503 B13R1.119 COCCCNCCn1cccc1 34a_100011368172_100000740836 [0,1,0,0,0,0|3,0,0]=4 3504 B13R1.119 COCCCNCCn1cccn1 2230a_100011200920_100000740836 [0,1,0,0,0,0|3,0,0]=4 3505 B13R1.119 COCCCNCCn1cccn1 34a_100150723488_100015204718 [0,1,0,0,0,0|3,0,0]=4 3506 B13R1.119 COCCCOCCc1cccs1 34a_100000740835_100000748579 [0,1,0,0,0,0|1,1,0]=3 3507 B13R1.119 COCCCOCCc1cccs1 34a_100011216825_100000740836 [0,1,0,0,0,0|1,1,0]=3 3508 B13R1.119 COCCCOCCc1cccs1 7a_100011216825_100000740836 [0,1,0,0,0,0|1,1,0]=3 3509 B13R1.119 COCCCOCCc1ccsc1 34a_100000748821_100000740836 [0,1,0,0,0,0|3,0,0]=4 3510 B13R1.119 COCCCOCCc1ncc[nH]1 34a_103549771195_100000740836 [0,1,0,0,0,0|3,0,0]=4 3511 B13R1.119 COCCCOCCn1cccc1 34a_100000179382_100000740836 [0,1,0,0,0,0|3,0,0]=4 3512 B13R1.119 COCCCOCCn1cccn1 34a_100000740835_100015204718 [0,1,0,0,0,0|3,0,0]=4 3513 B13R1.119 COCCCOCCn1cccn1 34a_100000743371_100000740836 [0,1,0,0,0,0|3,0,0]=4 3514 B13R1.119 COCCCSCCc1c[nH]cn1 62a_100000709357_100020628418 [0,1,0,0,0,0|3,0,0]=4 3515 B13R1.119 COCCCSCCc1c[nH]cn1 62a_100020628418_100000709357 [0,1,0,0,0,0|3,0,0]=4 3516 B13R1.119 COCCCSCCc1cccs1 62a_100000709357_100000748579 [0,1,0,0,0,0|1,1,0]=3 3517 B13R1.119 COCCCSCCc1cccs1 62a_100000748579_100000709357 [0,1,0,0,0,0|1,1,0]=3 3518 B13R1.119 COCCCSCCn1cccc1 62a_100000709357_200000035178 [0,1,0,0,0,0|3,0,0]=4 3519 B13R1.119 COCCCSCCn1cccc1 62a_200009811947_100000709357 [0,1,0,0,0,0|3,0,0]=4 3520 B13R1.119 COCCCSCCn1cccn1 62a_100000709357_100000685285 [0,1,0,0,0,0|3,0,0]=4 3521 B13R1.119 COCCCSCCn1cccn1 62a_100015204718_100000709357 [0,1,0,0,0,0|3,0,0]=4 3522 B13R1.119 COCCNCC=Cc1ccco1 270004a_100000209980_100000185671 [0,1,0,0,0,0|1,0,2]=4 3523 B13R1.119 COCCNCCCc1cccs1 2230a_100000209980_100010992444 [0,1,0,0,0,0|1,1,0]=3 3524 B13R1.119 COCCNCCCn1cccc1 2230a_100000209980_200009814367 [0,1,0,0,0,0|3,0,0]=4 3525 B13R1.119 COCCNCCCn1cccn1 2230a_100000209980_100000739983 [0,1,0,0,0,0|3,0,0]=4 3526 B13R1.119 COCCOCCCc1cccs1 34a_100000210237_100010992444 [0,1,0,0,0,0|1,1,0]=3 3527 B13R1.119 COCCOCCCc1cccs1 34a_100011713143_100011201679 [0,1,0,0,0,0|1,1,0]=3 3528 B13R1.119 COCCOCCCc1cccs1 7a_100011713143_100000233755 [0,1,0,0,0,0|1,1,0]=3 3529 B13R1.119 COCCOCCCc1ccsc1 34a_200000699776_100011201679 [0,1,0,0,0,0|3,0,0]=4 3530 B13R1.119 COCCOCCCc1ccsc1 7a_200000699776_100000233755 [0,1,0,0,0,0|3,0,0]=4 3531 B13R1.119 COCCOCCCn1cccc1 34a_100000179399_100011201679 [0,1,0,0,0,0|3,0,0]=4 3532 B13R1.119 COCCOCCCn1cccc1 34a_100000210237_200009814367 [0,1,0,0,0,0|3,0,0]=4 3533 B13R1.119 COCCOCCCn1cccc1 7a_100000179399_100000233755 [0,1,0,0,0,0|3,0,0]=4 3534 B13R1.119 COCCOCCCn1cccn1 34a_100000753614_100011201679 [0,1,0,0,0,0|3,0,0]=4 3535 B13R1.119 COCCOCCSc1ccco1 62a_100000695917_100009814098 [0,1,0,0,0,0|2,0,0]=3 3536 B13R1.119 COCCOCCSc1ccco1 62a_100009814098_100000695917 [0,1,0,0,0,0|2,0,0]=3 3537 B13R1.119 COCCOCCSc1cccs1 62a_100000695917_100011215356 [0,1,0,0,0,0|2,1,0]=4 3538 B13R1.119 COCCOCCSc1cccs1 62a_100011215356_100000695917 [0,1,0,0,0,0|2,1,0]=4 3539 B13R1.119 COCCOCCSc1cnco1 62a_100000695917_100020591547 [0,1,0,0,0,0|3,0,0]=4 3540 B13R1.119 COCCOCCSc1cnco1 62a_100020591547_100000695917 [0,1,0,0,0,0|3,0,0]=4 3541 B13R1.119 COCCOCCSc1ncco1 62a_100000695917_100011787736 [0,1,0,0,0,0|3,0,0]=4 3542 B13R1.119 COCCOCCSc1ncco1 62a_100011787736_100000695917 [0,1,0,0,0,0|3,0,0]=4 3543 B13R1.119 COCCOCNCc1ccco1 2230a_100000185738_100000231047 [0,1,0,0,0,0|2,0,0]=3 3544 B13R1.119 COCCOCNCc1cccs1 2230a_100000211653_100000231047 [0,1,0,0,0,0|2,1,0]=4 3545 B13R1.119 COCCOCNCc1ncco1 2230a_100016994969_100000231047 [0,1,0,0,0,0|3,0,0]=4 3546 B13R1.119 COCCOCSCc1ncco1 62a_100000231047_103436540062 [0,1,0,0,0,0|3,0,0]=4 3547 B13R1.119 COCCOCSCc1ncco1 62a_103436540062_100000231047 [0,1,0,0,0,0|3,0,0]=4 3548 B13R1.119 COCCSCCCc1cccs1 62a_100000233755_100010992444 [0,1,0,0,0,0|1,1,0]=3 3549 B13R1.119 COCCSCCCc1cccs1 62a_100010992444_100000233755 [0,1,0,0,0,0|1,1,0]=3 3550 B13R1.119 COCCSCCCn1cccc1 62a_100000233755_200009814367 [0,1,0,0,0,0|3,0,0]=4 3551 B13R1.119 COCCSCCCn1cccc1 62a_200009814367_100000233755 [0,1,0,0,0,0|3,0,0]=4 3552 B13R1.119 COCCSCCCn1cccn1 62a_100000233755_100000739983 [0,1,0,0,0,0|3,0,0]=4 3553 B13R1.119 COCCSCCCn1cccn1 62a_100000739983_100000233755 [0,1,0,0,0,0|3,0,0]=4 3554 B13R1.119 COCNCCSCc1ccco1 2230a_100000184675_100000766300 [0,1,0,0,0,0|2,0,0]=3 3555 B13R1.119 CSCCCCOCc1c[nH]cn1 34a_100011217163_100000707719 [0,1,0,0,0,0|3,0,0]=4 3556 B13R1.119 CSCCCCOCc1ccn[nH]1 34a_100011217163_100000728653 [0,1,0,0,0,0|3,0,0]=4 3557 B13R1.119 CSCCCCOCc1ccn[nH]1 7a_100011217163_100000728653 [0,1,0,0,0,0|3,0,0]=4 3558 B13R1.119 CSCCCCOCc1ccon1 34a_100011217163_100000234950 [0,1,0,0,0,0|3,0,0]=4 3559 B13R1.119 CSCCCCOCc1ccon1 7a_100011217163_100000234950 [0,1,0,0,0,0|3,0,0]=4 3560 B13R1.119 CSCCCCOCc1ccsc1 34a_100011217163_100011261437 [0,1,0,0,0,0|3,0,0]=4 3561 B13R1.119 CSCCCCOCc1ccsc1 7a_100011217163_100011261437 [0,1,0,0,0,0|3,0,0]=4 3562 B13R1.119 CSCCCCOCc1cncs1 34a_100011217163_100015185245 [0,1,0,0,0,0|2,1,0]=4 3563 B13R1.119 CSCCCCOCc1cncs1 7a_100011217163_100015185245 [0,1,0,0,0,0|2,1,0]=4 3564 B13R1.119 CSCCCCOCc1cscn1 34a_100011217163_100000205941 [0,1,0,0,0,0|3,0,0]=4 3565 B13R1.119 CSCCCCOCc1cscn1 7a_100011217163_100000205941 [0,1,0,0,0,0|3,0,0]=4 3566 B13R1.119 CSCCCCOCc1ncc[nH]1 34a_100011217163_100016991755 [0,1,0,0,0,0|3,0,0]=4 3567 B13R1.119 CSCCCCOCc1ncc[nH]1 7a_100011217163_100000753453 [0,1,0,0,0,0|3,0,0]=4 3568 B13R1.119 CSCCCCOCc1ncco1 34a_100011217163_103436540062 [0,1,0,0,0,0|2,0,0]=3 3569 B13R1.119 CSCCCCOCc1ncco1 7a_100011217163_103436540062 [0,1,0,0,0,0|2,0,0]=3 3570 B13R1.119 CSCCCCOCc1nccs1 34a_100011217163_100015184050 [0,1,0,0,0,0|2,1,0]=4 3571 B13R1.119 CSCCCCOCc1nccs1 7a_100011217163_100015184050 [0,1,0,0,0,0|2,1,0]=4 3572 B13R1.119 CSCCCNCCc1c[nH]cn1 2230a_100000749238_100020628418 [0,1,0,0,0,0|3,0,0]=4 3573 B13R1.119 CSCCCNCCc1cccs1 2230a_100000749238_100000748579 [0,1,0,0,0,0|1,1,0]=3 3574 B13R1.119 CSCCCNCCn1cccc1 2230a_100000749238_200009811947 [0,1,0,0,0,0|3,0,0]=4 3575 B13R1.119 CSCCCNCCn1cccn1 2230a_100000749238_100000685285 [0,1,0,0,0,0|3,0,0]=4 3576 B13R1.119 CSCCCOCCc1c[nH]cn1 7a_100000690336_100020628418 [0,1,0,0,0,0|3,0,0]=4 3577 B13R1.119 CSCCCOCCc1cccs1 34a_100000690336_100000748579 [0,1,0,0,0,0|1,1,0]=3 3578 B13R1.119 CSCCCOCCc1cccs1 7a_100000690336_100000748579 [0,1,0,0,0,0|1,1,0]=3 3579 B13R1.119 CSCCCOCCn1cccc1 7a_100000690336_200000035178 [0,1,0,0,0,0|3,0,0]=4 3580 B13R1.119 CSCCCOCCn1cccn1 34a_100000690336_100015204718 [0,1,0,0,0,0|3,0,0]=4 3581 B13R1.119 CSCCCOCCn1cccn1 7a_100000690336_100000685285 [0,1,0,0,0,0|3,0,0]=4 3582 B13R1.119 CSCCNCC=Cc1ccco1 270004a_100020590264_100000185671 [0,1,0,0,0,0|1,0,2]=4 3583 B13R1.119 CSCCNCCCc1cccs1 2230a_100020590264_100010992444 [0,1,0,0,0,0|1,1,0]=3 3584 B13R1.119 CSCCNCCCn1cccc1 2230a_100020590264_200009814367 [0,1,0,0,0,0|3,0,0]=4 3585 B13R1.119 CSCCNCCCn1cccn1 2230a_100020590264_100000739983 [0,1,0,0,0,0|3,0,0]=4 3586 B13R1.119 CSCCOCCCc1cccs1 34a_100000230434_100010992444 [0,1,0,0,0,0|1,1,0]=3 3587 B13R1.119 CSCCOCCCc1cccs1 34a_100011713143_100000212216 [0,1,0,0,0,0|1,1,0]=3 3588 B13R1.119 CSCCOCCCc1cccs1 7a_100000230434_100010992444 [0,1,0,0,0,0|1,1,0]=3 3589 B13R1.119 CSCCOCCCc1cccs1 7a_100011713143_100000212216 [0,1,0,0,0,0|1,1,0]=3 3590 B13R1.119 CSCCOCCCc1ccsc1 34a_200000699776_100000212216 [0,1,0,0,0,0|3,0,0]=4 3591 B13R1.119 CSCCOCCCc1ccsc1 7a_200000699776_100000212216 [0,1,0,0,0,0|3,0,0]=4 3592 B13R1.119 CSCCOCCCn1cccc1 34a_100000179399_100000212216 [0,1,0,0,0,0|3,0,0]=4 3593 B13R1.119 CSCCOCCCn1cccc1 34a_100000230434_200009814367 [0,1,0,0,0,0|3,0,0]=4 3594 B13R1.119 CSCCOCCCn1cccc1 7a_100000179399_100000212216 [0,1,0,0,0,0|3,0,0]=4 3595 B13R1.119 CSCCOCCCn1cccc1 7a_100000230434_200009814367 [0,1,0,0,0,0|3,0,0]=4 3596 B13R1.119 CSCCOCCCn1cccn1 34a_100000753614_100000212216 [0,1,0,0,0,0|3,0,0]=4 3597 B13R1.119 CSCCOCCCn1cccn1 7a_100000230434_100000739983 [0,1,0,0,0,0|3,0,0]=4 3598 B13R1.119 CSCCSCCCc1cccs1 62a_100000212216_100010992444 [0,1,0,0,0,0|1,1,0]=3 3599 B13R1.119 CSCCSCCCc1cccs1 62a_100010992444_100000751147 [0,1,0,0,0,0|1,1,0]=3 3600 B13R1.119 CSCCSCCCn1cccc1 62a_100000212216_200009814367 [0,1,0,0,0,0|3,0,0]=4 3601 B13R1.119 CSCCSCCCn1cccc1 62a_200009814367_100000751147 [0,1,0,0,0,0|3,0,0]=4 3602 B13R1.119 CSCCSCCCn1cccn1 62a_100000212216_100000739983 [0,1,0,0,0,0|3,0,0]=4 3603 B13R1.119 CSCCSCCCn1cccn1 62a_100000739983_100000751147 [0,1,0,0,0,0|3,0,0]=4 3604 B13R1.119 CSCNCCSCc1ccco1 2230a_100000184675_100011218213 [0,1,0,0,0,0|2,0,0]=3 3605 B13R1.119 ClCCCCCOCc1c[nH]cn1 34a_100000746330_100000707719 [0,1,0,0,0,0|3,0,0]=4 3606 B13R1.119 ClCCCCCOCc1ccn[nH]1 34a_100000746330_100000728653 [0,1,0,0,0,0|3,0,0]=4 3607 B13R1.119 ClCCCCCOCc1ccn[nH]1 7a_100000746330_100000728653 [0,1,0,0,0,0|3,0,0]=4 3608 B13R1.119 ClCCCCCOCc1ccon1 34a_100000746330_100000234950 [0,1,0,0,0,0|3,0,0]=4 3609 B13R1.119 ClCCCCCOCc1ccon1 7a_100000746330_100000234950 [0,1,0,0,0,0|3,0,0]=4 3610 B13R1.119 ClCCCCCOCc1ccsc1 34a_100000746330_100011261437 [0,1,0,0,0,0|3,0,0]=4 3611 B13R1.119 ClCCCCCOCc1ccsc1 7a_100000746330_100011261437 [0,1,0,0,0,0|3,0,0]=4 3612 B13R1.119 ClCCCCCOCc1cncs1 34a_100000746330_100015185245 [0,1,0,0,0,0|2,1,0]=4 3613 B13R1.119 ClCCCCCOCc1cncs1 7a_100000746330_100015185245 [0,1,0,0,0,0|2,1,0]=4 3614 B13R1.119 ClCCCCCOCc1cscn1 34a_100000746330_100000205941 [0,1,0,0,0,0|3,0,0]=4 3615 B13R1.119 ClCCCCCOCc1cscn1 7a_100000746330_100000205941 [0,1,0,0,0,0|3,0,0]=4 3616 B13R1.119 ClCCCCCOCc1ncc[nH]1 34a_100000746330_100016991755 [0,1,0,0,0,0|3,0,0]=4 3617 B13R1.119 ClCCCCCOCc1ncc[nH]1 7a_100000746330_100000753453 [0,1,0,0,0,0|3,0,0]=4 3618 B13R1.119 ClCCCCCOCc1ncco1 34a_100000746330_103436540062 [0,1,0,0,0,0|2,0,0]=3 3619 B13R1.119 ClCCCCCOCc1ncco1 7a_100000746330_103436540062 [0,1,0,0,0,0|2,0,0]=3 3620 B13R1.119 ClCCCCCOCc1nccs1 34a_100000746330_100015184050 [0,1,0,0,0,0|2,1,0]=4 3621 B13R1.119 ClCCCCCOCc1nccs1 7a_100000746330_100015184050 [0,1,0,0,0,0|2,1,0]=4 3622 B13R1.119 ClCCCCOCCc1c[nH]cn1 7a_100000210776_100020628418 [0,1,0,0,0,0|3,0,0]=4 3623 B13R1.119 ClCCCCOCCc1cccs1 34a_100000210776_100000748579 [0,1,0,0,0,0|1,1,0]=3 3624 B13R1.119 ClCCCCOCCc1cccs1 7a_100000210776_100000748579 [0,1,0,0,0,0|1,1,0]=3 3625 B13R1.119 ClCCCCOCCn1cccc1 7a_100000210776_200000035178 [0,1,0,0,0,0|3,0,0]=4 3626 B13R1.119 ClCCCCOCCn1cccn1 34a_100000210776_100015204718 [0,1,0,0,0,0|3,0,0]=4 3627 B13R1.119 ClCCCCOCCn1cccn1 7a_100000210776_100000685285 [0,1,0,0,0,0|3,0,0]=4 3628 B13R1.119 ClCCCOCCCc1cccs1 34a_100000230001_100010992444 [0,1,0,0,0,0|1,1,0]=3 3629 B13R1.119 ClCCCOCCCn1cccc1 34a_100000230001_200009814367 [0,1,0,0,0,0|3,0,0]=4 3630 B13R1.119 ClCCOCCOCc1ncco1 34a_100011215305_103436540062 [0,1,0,0,0,0|3,0,0]=4 3631 B13R1.119 ClCCOCCOCc1ncco1 7a_100011215305_103436540062 [0,1,0,0,0,0|3,0,0]=4 3632 B13R1.119 FCCCCCCOc1ccsc1 34a_100000106738_100015922095 [0,1,0,0,0,0|3,0,0]=4 3633 B13R1.119 FCCCCCCOc1ccsc1 7a_100000106738_100015922095 [0,1,0,0,0,0|3,0,0]=4 3634 B13R1.119 FCCCCCCSc1c[nH]cn1 62a_100000756875_100015922095 [0,1,0,0,0,0|3,0,0]=4 3635 B13R1.119 FCCCCCCSc1c[nH]cn1 62a_100015922095_100000756875 [0,1,0,0,0,0|3,0,0]=4 3636 B13R1.119 FCCCCCCSc1cc[nH]n1 62a_100000062575_100015922095 [0,1,0,0,0,0|3,0,0]=4 3637 B13R1.119 FCCCCCCSc1cc[nH]n1 62a_100015922095_100000062575 [0,1,0,0,0,0|3,0,0]=4 3638 B13R1.119 FCCCCCCSc1ccco1 62a_100009814098_100015922095 [0,1,0,0,0,0|1,0,0]=2 3639 B13R1.119 FCCCCCCSc1ccco1 62a_100015922095_100009814098 [0,1,0,0,0,0|1,0,0]=2 3640 B13R1.119 FCCCCCCSc1cccs1 62a_100011215356_100015922095 [0,1,0,0,0,0|1,1,0]=3 3641 B13R1.119 FCCCCCCSc1cccs1 62a_100015922095_100011215356 [0,1,0,0,0,0|1,1,0]=3 3642 B13R1.119 FCCCCCCSc1ccoc1 62a_100011215275_100015922095 [0,1,0,0,0,0|3,0,0]=4 3643 B13R1.119 FCCCCCCSc1ccoc1 62a_100015922095_100011215275 [0,1,0,0,0,0|3,0,0]=4 3644 B13R1.119 FCCCCCCSc1ccon1 62a_100009818083_100015922095 [0,1,0,0,0,0|3,0,0]=4 3645 B13R1.119 FCCCCCCSc1ccon1 62a_100015922095_100009818083 [0,1,0,0,0,0|3,0,0]=4 3646 B13R1.119 FCCCCCCSc1ccsc1 62a_100000738268_100015922095 [0,1,0,0,0,0|3,0,0]=4 3647 B13R1.119 FCCCCCCSc1ccsc1 62a_100015922095_100000738268 [0,1,0,0,0,0|3,0,0]=4 3648 B13R1.119 FCCCCCCSc1ccsn1 62a_100009818082_100015922095 [0,1,0,0,0,0|3,0,0]=4 3649 B13R1.119 FCCCCCCSc1ccsn1 62a_100015922095_100009818082 [0,1,0,0,0,0|3,0,0]=4 3650 B13R1.119 FCCCCCCSc1cnco1 62a_100015922095_100020591547 [0,1,0,0,0,0|2,0,0]=3 3651 B13R1.119 FCCCCCCSc1cnco1 62a_100020591547_100015922095 [0,1,0,0,0,0|2,0,0]=3 3652 B13R1.119 FCCCCCCSc1cncs1 62a_100011934649_100015922095 [0,1,0,0,0,0|2,1,0]=4 3653 B13R1.119 FCCCCCCSc1cncs1 62a_100015922095_100011934649 [0,1,0,0,0,0|2,1,0]=4 3654 B13R1.119 FCCCCCCSc1cscn1 62a_100000751502_100015922095 [0,1,0,0,0,0|3,0,0]=4 3655 B13R1.119 FCCCCCCSc1cscn1 62a_100015922095_100000751502 [0,1,0,0,0,0|3,0,0]=4 3656 B13R1.119 FCCCCCCSc1ncc[nH]1 62a_100015922095_100025796157 [0,1,0,0,0,0|3,0,0]=4 3657 B13R1.119 FCCCCCCSc1ncc[nH]1 62a_100025796157_100015922095 [0,1,0,0,0,0|3,0,0]=4 3658 B13R1.119 FCCCCCCSc1ncco1 62a_100011787736_100015922095 [0,1,0,0,0,0|2,0,0]=3 3659 B13R1.119 FCCCCCCSc1ncco1 62a_100015922095_100011787736 [0,1,0,0,0,0|2,0,0]=3 3660 B13R1.119 FCCCCCCSc1nccs1 62a_100000211983_100015922095 [0,1,0,0,0,0|2,1,0]=4 3661 B13R1.119 FCCCCCCSc1nccs1 62a_100015922095_100000211983 [0,1,0,0,0,0|2,1,0]=4 3662 B13R1.119 FCCCCCNCc1ccco1 2230a_100000185738_100000729378 [0,1,0,0,0,0|1,0,0]=2 3663 B13R1.119 FCCCCCNCc1ccco1 34a_100000185738_100000729378 [0,1,0,0,0,0|1,0,0]=2 3664 B13R1.119 FCCCCCNCc1cccs1 2230a_100000211653_100000729378 [0,1,0,0,0,0|1,1,0]=3 3665 B13R1.119 FCCCCCNCc1ccoc1 2230a_100015206860_100000729378 [0,1,0,0,0,0|3,0,0]=4 3666 B13R1.119 FCCCCCNCc1ccoc1 34a_100015206860_100000729378 [0,1,0,0,0,0|3,0,0]=4 3667 B13R1.119 FCCCCCNCc1ccsc1 2230a_100000186416_100000729378 [0,1,0,0,0,0|3,0,0]=4 3668 B13R1.119 FCCCCCNCc1ccsc1 34a_100000186416_100000729378 [0,1,0,0,0,0|3,0,0]=4 3669 B13R1.119 FCCCCCNCc1cncs1 2230a_100016987365_100000729378 [0,1,0,0,0,0|2,1,0]=4 3670 B13R1.119 FCCCCCNCc1cscn1 2230a_100015185402_100000729378 [0,1,0,0,0,0|3,0,0]=4 3671 B13R1.119 FCCCCCNCc1ncco1 2230a_100016994969_100000729378 [0,1,0,0,0,0|2,0,0]=3 3672 B13R1.119 FCCCCCNCc1nccs1 2230a_100000740555_100000729378 [0,1,0,0,0,0|2,1,0]=4 3673 B13R1.119 FCCCCCOCc1ccco1 34a_100000210059_100000729378 [0,1,0,0,0,0|1,0,0]=2 3674 B13R1.119 FCCCCCOCc1cccs1 34a_100000211240_100000729378 [0,1,0,0,0,0|1,1,0]=3 3675 B13R1.119 FCCCCCOCc1ccno1 34a_100000740478_100000729378 [0,1,0,0,0,0|2,0,0]=3 3676 B13R1.119 FCCCCCOCc1ccoc1 34a_100011215357_100000729378 [0,1,0,0,0,0|3,0,0]=4 3677 B13R1.119 FCCCCCOCc1ccsc1 34a_100011215551_100000729378 [0,1,0,0,0,0|3,0,0]=4 3678 B13R1.119 FCCCCCOCc1ncco1 34a_100000062594_100000729378 [0,1,0,0,0,0|2,0,0]=3 3679 B13R1.119 FCCCCCOCn1cccn1 34a_100000731028_100000729378 [0,1,0,0,0,0|3,0,0]=4 3680 B13R1.119 FCCCCCSCc1c[nH]cn1 62a_100000707719_100000729378 [0,1,0,0,0,0|3,0,0]=4 3681 B13R1.119 FCCCCCSCc1c[nH]cn1 62a_100000729378_100000707719 [0,1,0,0,0,0|3,0,0]=4 3682 B13R1.119 FCCCCCSCc1ccn[nH]1 62a_100000728653_100000729378 [0,1,0,0,0,0|3,0,0]=4 3683 B13R1.119 FCCCCCSCc1ccn[nH]1 62a_100000729378_100000728653 [0,1,0,0,0,0|3,0,0]=4 3684 B13R1.119 FCCCCCSCc1ccon1 62a_100000234950_100000729378 [0,1,0,0,0,0|3,0,0]=4 3685 B13R1.119 FCCCCCSCc1ccon1 62a_100000729378_100000234950 [0,1,0,0,0,0|3,0,0]=4 3686 B13R1.119 FCCCCCSCc1ccsc1 62a_100000729378_100011233845 [0,1,0,0,0,0|3,0,0]=4 3687 B13R1.119 FCCCCCSCc1ccsc1 62a_100011261437_100000729378 [0,1,0,0,0,0|3,0,0]=4 3688 B13R1.119 FCCCCCSCc1cncs1 62a_100000729378_100015185245 [0,1,0,0,0,0|2,1,0]=4 3689 B13R1.119 FCCCCCSCc1cncs1 62a_100015185245_100000729378 [0,1,0,0,0,0|2,1,0]=4 3690 B13R1.119 FCCCCCSCc1cscn1 62a_100000205941_100000729378 [0,1,0,0,0,0|3,0,0]=4 3691 B13R1.119 FCCCCCSCc1cscn1 62a_100000729378_100000205941 [0,1,0,0,0,0|3,0,0]=4 3692 B13R1.119 FCCCCCSCc1ncc[nH]1 62a_100000729378_100016991755 [0,1,0,0,0,0|3,0,0]=4 3693 B13R1.119 FCCCCCSCc1ncc[nH]1 62a_100016991755_100000729378 [0,1,0,0,0,0|3,0,0]=4 3694 B13R1.119 FCCCCCSCc1ncco1 62a_100000729378_103436540062 [0,1,0,0,0,0|2,0,0]=3 3695 B13R1.119 FCCCCCSCc1ncco1 62a_103436540062_100000729378 [0,1,0,0,0,0|2,0,0]=3 3696 B13R1.119 FCCCCCSCc1nccs1 62a_100000729378_100015184050 [0,1,0,0,0,0|2,1,0]=4 3697 B13R1.119 FCCCCCSCc1nccs1 62a_100015184050_100000729378 [0,1,0,0,0,0|2,1,0]=4 3698 B13R1.119 FCCCCNCCc1ccco1 2230a_100000694680_100000729493 [0,1,0,0,0,0|1,0,0]=2 3699 B13R1.119 FCCCCNCCc1ccco1 34a_100000694680_100000729493 [0,1,0,0,0,0|1,0,0]=2 3700 B13R1.119 FCCCCNCCc1cccs1 2230a_100000203755_100000729493 [0,1,0,0,0,0|1,1,0]=3 3701 B13R1.119 FCCCCNCCc1cccs1 34a_100000203755_100000729493 [0,1,0,0,0,0|1,1,0]=3 3702 B13R1.119 FCCCCNCCc1ccsc1 2230a_100000692642_100000729493 [0,1,0,0,0,0|3,0,0]=4 3703 B13R1.119 FCCCCNCCc1ccsc1 34a_100000692642_100000729493 [0,1,0,0,0,0|3,0,0]=4 3704 B13R1.119 FCCCCNCCc1cncs1 2230a_100016991637_100000729493 [0,1,0,0,0,0|2,1,0]=4 3705 B13R1.119 FCCCCNCCc1nccs1 2230a_100015186391_100000729493 [0,1,0,0,0,0|2,1,0]=4 3706 B13R1.119 FCCCCNCCn1cccc1 34a_100011368172_100000729493 [0,1,0,0,0,0|3,0,0]=4 3707 B13R1.119 FCCCCNCCn1cccn1 2230a_100011200920_100000729493 [0,1,0,0,0,0|3,0,0]=4 3708 B13R1.119 FCCCCOCCc1c[nH]cn1 7a_100011995726_100020628418 [0,1,0,0,0,0|3,0,0]=4 3709 B13R1.119 FCCCCOCCc1cccs1 34a_100011216825_100000729493 [0,1,0,0,0,0|1,1,0]=3 3710 B13R1.119 FCCCCOCCc1cccs1 34a_100011995726_100000748579 [0,1,0,0,0,0|1,1,0]=3 3711 B13R1.119 FCCCCOCCc1cccs1 7a_100011216825_100000729493 [0,1,0,0,0,0|1,1,0]=3 3712 B13R1.119 FCCCCOCCc1cccs1 7a_100011995726_100000748579 [0,1,0,0,0,0|1,1,0]=3 3713 B13R1.119 FCCCCOCCc1ccsc1 34a_100000748821_100000729493 [0,1,0,0,0,0|3,0,0]=4 3714 B13R1.119 FCCCCOCCc1ncc[nH]1 34a_103549771195_100000729493 [0,1,0,0,0,0|3,0,0]=4 3715 B13R1.119 FCCCCOCCn1cccc1 34a_100000179382_100000729493 [0,1,0,0,0,0|3,0,0]=4 3716 B13R1.119 FCCCCOCCn1cccc1 7a_100011995726_200000035178 [0,1,0,0,0,0|3,0,0]=4 3717 B13R1.119 FCCCCOCCn1cccn1 34a_100000743371_100000729493 [0,1,0,0,0,0|3,0,0]=4 3718 B13R1.119 FCCCCOCCn1cccn1 34a_100011995726_100015204718 [0,1,0,0,0,0|3,0,0]=4 3719 B13R1.119 FCCCCOCCn1cccn1 7a_100011995726_100000685285 [0,1,0,0,0,0|3,0,0]=4 3720 B13R1.119 FCCCCSCCc1c[nH]cn1 62a_100000729493_100020628418 [0,1,0,0,0,0|3,0,0]=4 3721 B13R1.119 FCCCCSCCc1c[nH]cn1 62a_100020628418_100000729493 [0,1,0,0,0,0|3,0,0]=4 3722 B13R1.119 FCCCCSCCc1cccs1 62a_100000729493_100000748579 [0,1,0,0,0,0|1,1,0]=3 3723 B13R1.119 FCCCCSCCc1cccs1 62a_100000748579_100000729493 [0,1,0,0,0,0|1,1,0]=3 3724 B13R1.119 FCCCCSCCn1cccc1 62a_100000729493_200000035178 [0,1,0,0,0,0|3,0,0]=4 3725 B13R1.119 FCCCCSCCn1cccc1 62a_200009811947_100000729493 [0,1,0,0,0,0|3,0,0]=4 3726 B13R1.119 FCCCCSCCn1cccn1 62a_100000729493_100000685285 [0,1,0,0,0,0|3,0,0]=4 3727 B13R1.119 FCCCCSCCn1cccn1 62a_100015204718_100000729493 [0,1,0,0,0,0|3,0,0]=4 3728 B13R1.119 FCCCNCC=Cc1ccco1 270004a_100015189416_100000185671 [0,1,0,0,0,0|1,0,2]=4 3729 B13R1.119 FCCCNCCCc1cccs1 2230a_100015189416_100010992444 [0,1,0,0,0,0|1,1,0]=3 3730 B13R1.119 FCCCNCCCc1cccs1 34a_100015189416_100010992444 [0,1,0,0,0,0|1,1,0]=3 3731 B13R1.119 FCCCNCCCn1cccc1 2230a_100015189416_200009814367 [0,1,0,0,0,0|3,0,0]=4 3732 B13R1.119 FCCCNCCCn1cccc1 34a_100015189416_200009814367 [0,1,0,0,0,0|3,0,0]=4 3733 B13R1.119 FCCCNCCCn1cccn1 2230a_100015189416_100000739983 [0,1,0,0,0,0|3,0,0]=4 3734 B13R1.119 FCCCOCCCc1cccs1 34a_100000759539_100010992444 [0,1,0,0,0,0|1,1,0]=3 3735 B13R1.119 FCCCOCCCc1cccs1 34a_100011713143_100011934791 [0,1,0,0,0,0|1,1,0]=3 3736 B13R1.119 FCCCOCCCc1cccs1 7a_100011713143_100011934791 [0,1,0,0,0,0|1,1,0]=3 3737 B13R1.119 FCCCOCCCc1ccsc1 34a_200000699776_100011934791 [0,1,0,0,0,0|3,0,0]=4 3738 B13R1.119 FCCCOCCCc1ccsc1 7a_200000699776_100011934791 [0,1,0,0,0,0|3,0,0]=4 3739 B13R1.119 FCCCOCCCn1cccc1 34a_100000179399_100011934791 [0,1,0,0,0,0|3,0,0]=4 3740 B13R1.119 FCCCOCCCn1cccc1 34a_100000759539_200009814367 [0,1,0,0,0,0|3,0,0]=4 3741 B13R1.119 FCCCOCCCn1cccc1 7a_100000179399_100011934791 [0,1,0,0,0,0|3,0,0]=4 3742 B13R1.119 FCCCOCCCn1cccn1 34a_100000753614_100011934791 [0,1,0,0,0,0|3,0,0]=4 3743 B13R1.119 FCCCSCCCc1cccs1 62a_100010992444_100011934791 [0,1,0,0,0,0|1,1,0]=3 3744 B13R1.119 FCCCSCCCc1cccs1 62a_100011934791_100010992444 [0,1,0,0,0,0|1,1,0]=3 3745 B13R1.119 FCCCSCCCn1cccc1 62a_100011934791_200009814367 [0,1,0,0,0,0|3,0,0]=4 3746 B13R1.119 FCCCSCCCn1cccc1 62a_200009814367_100011934791 [0,1,0,0,0,0|3,0,0]=4 3747 B13R1.119 FCCCSCCCn1cccn1 62a_100000739983_100011934791 [0,1,0,0,0,0|3,0,0]=4 3748 B13R1.119 FCCCSCCCn1cccn1 62a_100011934791_100000739983 [0,1,0,0,0,0|3,0,0]=4 3749 B13R1.119 FCCNCCSCc1ccco1 2230a_100000184675_100011217306 [0,1,0,0,0,0|2,0,0]=3 3750 B13R1.119 FCCNCCSCc1ccco1 7a_100000184675_100011217306 [0,1,0,0,0,0|2,0,0]=3 3751 B13R1.119 FCCOCCOCc1ncco1 34a_200015357709_103436540062 [0,1,0,0,0,0|3,0,0]=4 3752 B13R1.119 FCCOCCOCc1ncco1 7a_200015357709_103436540062 [0,1,0,0,0,0|3,0,0]=4 3753 B13R1.119 FCOCCCNCc1cccs1 34a_100015187169_100015361967 [0,1,0,0,0,0|2,1,0]=4 3754 B13R1.119 ICCCCCOCc1c[nH]cn1 34a_200012148887_100000707719 [0,1,0,0,0,0|3,0,0]=4 3755 B13R1.119 ICCCCCOCc1ccn[nH]1 34a_200012148887_100000728653 [0,1,0,0,0,0|3,0,0]=4 3756 B13R1.119 ICCCCCOCc1ccn[nH]1 7a_200012148887_100000728653 [0,1,0,0,0,0|3,0,0]=4 3757 B13R1.119 ICCCCCOCc1ccon1 34a_200012148887_100000234950 [0,1,0,0,0,0|3,0,0]=4 3758 B13R1.119 ICCCCCOCc1ccon1 7a_200012148887_100000234950 [0,1,0,0,0,0|3,0,0]=4 3759 B13R1.119 ICCCCCOCc1ccsc1 34a_200012148887_100011261437 [0,1,0,0,0,0|3,0,0]=4 3760 B13R1.119 ICCCCCOCc1ccsc1 7a_200012148887_100011261437 [0,1,0,0,0,0|3,0,0]=4 3761 B13R1.119 ICCCCCOCc1cncs1 34a_200012148887_100015185245 [0,1,0,0,0,0|2,1,0]=4 3762 B13R1.119 ICCCCCOCc1cncs1 7a_200012148887_100015185245 [0,1,0,0,0,0|2,1,0]=4 3763 B13R1.119 ICCCCCOCc1cscn1 34a_200012148887_100000205941 [0,1,0,0,0,0|3,0,0]=4 3764 B13R1.119 ICCCCCOCc1cscn1 7a_200012148887_100000205941 [0,1,0,0,0,0|3,0,0]=4 3765 B13R1.119 ICCCCCOCc1ncc[nH]1 34a_200012148887_100016991755 [0,1,0,0,0,0|3,0,0]=4 3766 B13R1.119 ICCCCCOCc1ncc[nH]1 7a_200012148887_100000753453 [0,1,0,0,0,0|3,0,0]=4 3767 B13R1.119 ICCCCCOCc1ncco1 34a_200012148887_103436540062 [0,1,0,0,0,0|2,0,0]=3 3768 B13R1.119 ICCCCCOCc1ncco1 7a_200012148887_103436540062 [0,1,0,0,0,0|2,0,0]=3 3769 B13R1.119 ICCCCCOCc1nccs1 34a_200012148887_100015184050 [0,1,0,0,0,0|2,1,0]=4 3770 B13R1.119 ICCCCCOCc1nccs1 7a_200012148887_100015184050 [0,1,0,0,0,0|2,1,0]=4 3771 B13R1.119 ICCCCOCCc1cccs1 34a_200012148704_100000748579 [0,1,0,0,0,0|1,1,0]=3 3772 B13R1.119 ICCCCOCCn1cccn1 34a_200012148704_100015204718 [0,1,0,0,0,0|3,0,0]=4 3773 B13R1.119 ICCOCCOCc1ncco1 34a_100012149058_103436540062 [0,1,0,0,0,0|3,0,0]=4 3774 B13R1.119 ICCOCCOCc1ncco1 7a_100012149058_103436540062 [0,1,0,0,0,0|3,0,0]=4 3775 B13R1.119 N#CCCCCCSc1ccco1 62a_100009813376_100009814098 [0,1,0,0,0,0|1,0,1]=3 3776 B13R1.119 N#CCCCCCSc1ccco1 62a_100009814098_100009813376 [0,1,0,0,0,0|1,0,1]=3 3777 B13R1.119 N#CCCCCCSc1cccs1 62a_100009813376_100011215356 [0,1,0,0,0,0|1,1,1]=4 3778 B13R1.119 N#CCCCCCSc1cccs1 62a_100011215356_100009813376 [0,1,0,0,0,0|1,1,1]=4 3779 B13R1.119 N#CCCCCCSc1cnco1 62a_100009813376_100020591547 [0,1,0,0,0,0|2,0,1]=4 3780 B13R1.119 N#CCCCCCSc1cnco1 62a_100020591547_100009813376 [0,1,0,0,0,0|2,0,1]=4 3781 B13R1.119 N#CCCCCCSc1ncco1 62a_100009813376_100011787736 [0,1,0,0,0,0|2,0,1]=4 3782 B13R1.119 N#CCCCCCSc1ncco1 62a_100011787736_100009813376 [0,1,0,0,0,0|2,0,1]=4 3783 B13R1.119 N#CCCCCNCc1ccco1 2230a_100000185738_100000211819 [0,1,0,0,0,0|1,0,1]=3 3784 B13R1.119 N#CCCCCNCc1ccco1 270004a_100000751965_100000186105 [0,1,0,0,0,0|1,0,1]=3 3785 B13R1.119 N#CCCCCNCc1cccs1 2230a_100000211653_100000211819 [0,1,0,0,0,0|1,1,1]=4 3786 B13R1.119 N#CCCCCNCc1cccs1 270004a_100000751965_100000209959 [0,1,0,0,0,0|1,1,1]=4 3787 B13R1.119 N#CCCCCNCc1cnco1 270004a_100000751965_100000064291 [0,1,0,0,0,0|2,0,1]=4 3788 B13R1.119 N#CCCCCNCc1ncco1 2230a_100016994969_100000211819 [0,1,0,0,0,0|2,0,1]=4 3789 B13R1.119 N#CCCCCNCc1ncco1 270004a_100000751965_100000064290 [0,1,0,0,0,0|2,0,1]=4 3790 B13R1.119 N#CCCCCSCc1ncco1 62a_100011219923_103436540062 [0,1,0,0,0,0|2,0,1]=4 3791 B13R1.119 N#CCCCCSCc1ncco1 62a_103436540062_100000211819 [0,1,0,0,0,0|2,0,1]=4 3792 B13R1.119 N#CCCCNCCc1ccco1 2230a_100000694680_100000687738 [0,1,0,0,0,0|1,0,1]=3 3793 B13R1.119 N#CCCCNCCc1cccs1 2230a_100000203755_100000687738 [0,1,0,0,0,0|1,1,1]=4 3794 B13R1.119 N#CCCCOCCc1cccs1 7a_100011216825_100000687738 [0,1,0,0,0,0|1,1,1]=4 3795 B13R1.119 N#CCCCSCCc1cccs1 62a_100000687738_100000748579 [0,1,0,0,0,0|1,1,1]=4 3796 B13R1.119 N#CCCCSCCc1cccs1 62a_100000748579_100000687738 [0,1,0,0,0,0|1,1,1]=4 3797 B13R1.119 N#CCCOCCCc1cccs1 7a_100011713143_100000184422 [0,1,0,0,0,0|1,1,1]=4 3798 B13R1.119 N#CCCSCCCc1cccs1 62a_100010992444_100011215226 [0,1,0,0,0,0|1,1,1]=4 3799 B13R1.119 N#CCCSCCCc1cccs1 62a_100011215226_100010992444 [0,1,0,0,0,0|1,1,1]=4 3800 B13R1.119 N#CCNCCSCc1ccco1 2230a_100000184675_100011215382 [0,1,0,0,0,0|2,0,1]=4 3801 B13R1.119 N#CCNCCSCc1ccco1 7a_100000184675_100011215382 [0,1,0,0,0,0|2,0,1]=4 3802 B13R1.119 N#CCOCCNCc1ccco1 2230a_100000185738_200000047693 [0,1,0,0,0,0|2,0,1]=4 3803 B13R1.119 NCCCCCOCc1c[nH]cn1 34a_100000762737_100000707719 [0,1,0,0,0,0|3,0,0]=4 3804 B13R1.119 NCCCCCOCc1ccn[nH]1 34a_100000762737_100000728653 [0,1,0,0,0,0|3,0,0]=4 3805 B13R1.119 NCCCCCOCc1ccon1 34a_100000762737_100000234950 [0,1,0,0,0,0|3,0,0]=4 3806 B13R1.119 NCCCCCOCc1ccsc1 34a_100000762737_100011261437 [0,1,0,0,0,0|3,0,0]=4 3807 B13R1.119 NCCCCCOCc1cncs1 34a_100000762737_100015185245 [0,1,0,0,0,0|2,1,0]=4 3808 B13R1.119 NCCCCCOCc1cscn1 34a_100000762737_100000205941 [0,1,0,0,0,0|3,0,0]=4 3809 B13R1.119 NCCCCCOCc1ncc[nH]1 34a_100000762737_100016991755 [0,1,0,0,0,0|3,0,0]=4 3810 B13R1.119 NCCCCCOCc1ncco1 34a_100000762737_103436540062 [0,1,0,0,0,0|2,0,0]=3 3811 B13R1.119 NCCCCCOCc1nccs1 34a_100000762737_100015184050 [0,1,0,0,0,0|2,1,0]=4 3812 B13R1.119 NCCCCOCCc1cccs1 34a_100000750430_100000748579 [0,1,0,0,0,0|1,1,0]=3 3813 B13R1.119 NCCCCOCCn1cccn1 34a_100000750430_100015204718 [0,1,0,0,0,0|3,0,0]=4 3814 B13R1.119 NCCCOCCCc1cccs1 34a_100000182051_100010992444 [0,1,0,0,0,0|1,1,0]=3 3815 B13R1.119 NCCCOCCCn1cccc1 34a_100000182051_200009814367 [0,1,0,0,0,0|3,0,0]=4 3816 B13R1.119 NCCOCCOCc1ncco1 34a_100000211614_103436540062 [0,1,0,0,0,0|3,0,0]=4 3817 B13R1.119 NOCCOCCCc1cccs1 34a_100000700252_100010992444 [0,1,0,0,0,0|2,1,0]=4 3818 B13R1.119 O=CCCCCCSc1ccco1 62a_100000139337_100009814098 [0,1,0,0,0,0|1,0,1]=3 3819 B13R1.119 O=CCCCCCSc1ccco1 62a_100009814098_100000139337 [0,1,0,0,0,0|1,0,1]=3 3820 B13R1.119 O=CCCCCCSc1cccs1 62a_100000139337_100011215356 [0,1,0,0,0,0|1,1,1]=4 3821 B13R1.119 O=CCCCCCSc1cccs1 62a_100011215356_100000139337 [0,1,0,0,0,0|1,1,1]=4 3822 B13R1.119 O=CCCCCCSc1cnco1 62a_100000139337_100020591547 [0,1,0,0,0,0|2,0,1]=4 3823 B13R1.119 O=CCCCCCSc1cnco1 62a_100020591547_100000139337 [0,1,0,0,0,0|2,0,1]=4 3824 B13R1.119 O=CCCCCCSc1ncco1 62a_100000139337_100011787736 [0,1,0,0,0,0|2,0,1]=4 3825 B13R1.119 O=CCCCCCSc1ncco1 62a_100011787736_100000139337 [0,1,0,0,0,0|2,0,1]=4 3826 B13R1.119 O=CCCCCNCc1ccco1 2230a_100000185738_100000139335 [0,1,0,0,0,0|1,0,1]=3 3827 B13R1.119 O=CCCCCNCc1cccs1 2230a_100000211653_100000139335 [0,1,0,0,0,0|1,1,1]=4 3828 B13R1.119 O=CCCCCNCc1ncco1 2230a_100016994969_100000139335 [0,1,0,0,0,0|2,0,1]=4 3829 B13R1.119 O=CCCCCSCc1ncco1 62a_100000139335_103436540062 [0,1,0,0,0,0|2,0,1]=4 3830 B13R1.119 O=CCCCCSCc1ncco1 62a_103436540062_100000139335 [0,1,0,0,0,0|2,0,1]=4 3831 B13R1.119 O=CCCCNCCc1ccco1 2230a_100000694680_200011292268 [0,1,0,0,0,0|1,0,1]=3 3832 B13R1.119 O=CCCCNCCc1cccs1 2230a_100000203755_200011292268 [0,1,0,0,0,0|1,1,1]=4 3833 B13R1.119 O=CCCCOCCc1cccs1 7a_100011216825_200011292268 [0,1,0,0,0,0|1,1,1]=4 3834 B13R1.119 O=CCCCSCCc1cccs1 62a_100000748579_200011292268 [0,1,0,0,0,0|1,1,1]=4 3835 B13R1.119 O=CCCCSCCc1cccs1 62a_200011292268_100000748579 [0,1,0,0,0,0|1,1,1]=4 3836 B13R1.119 O=CCNCCSCc1ccco1 2230a_100000184675_200015260668 [0,1,0,0,0,0|2,0,1]=4 3837 B13R1.119 O=CCNCCSCc1ccco1 7a_100000184675_200015260668 [0,1,0,0,0,0|2,0,1]=4 3838 B13R1.119 OCC#CCNCCc1ccco1 2230a_100000694680_200000047223 [0,1,0,0,0,0|1,0,2]=4 3839 B13R1.119 OCC#CCNCCc1ccco1 34a_100000694680_200000047223 [0,1,0,0,0,0|1,0,2]=4 3840 B13R1.119 OCCCCCCCN1CC=CC1 269982a_100015195280_100000760002 [0,1,0,0,0,0|2,0,1]=4 3841 B13R1.119 OCCCCCCOc1ccsc1 34a_100000106738_100000766143 [0,1,0,0,0,0|3,0,0]=4 3842 B13R1.119 OCCCCCCOc1ccsc1 7a_100000106738_100000766143 [0,1,0,0,0,0|3,0,0]=4 3843 B13R1.119 OCCCCCCSc1c[nH]cn1 62a_100000756875_100000766143 [0,1,0,0,0,0|3,0,0]=4 3844 B13R1.119 OCCCCCCSc1c[nH]cn1 62a_100000766143_100000756875 [0,1,0,0,0,0|3,0,0]=4 3845 B13R1.119 OCCCCCCSc1cc[nH]n1 62a_100000062575_100000766143 [0,1,0,0,0,0|3,0,0]=4 3846 B13R1.119 OCCCCCCSc1cc[nH]n1 62a_100000766143_100000062575 [0,1,0,0,0,0|3,0,0]=4 3847 B13R1.119 OCCCCCCSc1ccco1 62a_100000766143_100009814098 [0,1,0,0,0,0|1,0,0]=2 3848 B13R1.119 OCCCCCCSc1ccco1 62a_100009814098_100000766143 [0,1,0,0,0,0|1,0,0]=2 3849 B13R1.119 OCCCCCCSc1cccs1 62a_100000766143_100011215356 [0,1,0,0,0,0|1,1,0]=3 3850 B13R1.119 OCCCCCCSc1cccs1 62a_100011215356_100000766143 [0,1,0,0,0,0|1,1,0]=3 3851 B13R1.119 OCCCCCCSc1ccoc1 62a_100000766143_100011215275 [0,1,0,0,0,0|3,0,0]=4 3852 B13R1.119 OCCCCCCSc1ccoc1 62a_100011215275_100000766143 [0,1,0,0,0,0|3,0,0]=4 3853 B13R1.119 OCCCCCCSc1ccon1 62a_100000766143_100009818083 [0,1,0,0,0,0|3,0,0]=4 3854 B13R1.119 OCCCCCCSc1ccon1 62a_100009818083_100000766143 [0,1,0,0,0,0|3,0,0]=4 3855 B13R1.119 OCCCCCCSc1ccsc1 62a_100000738268_100000766143 [0,1,0,0,0,0|3,0,0]=4 3856 B13R1.119 OCCCCCCSc1ccsc1 62a_100000766143_100000738268 [0,1,0,0,0,0|3,0,0]=4 3857 B13R1.119 OCCCCCCSc1ccsn1 62a_100000766143_100009818082 [0,1,0,0,0,0|3,0,0]=4 3858 B13R1.119 OCCCCCCSc1ccsn1 62a_100009818082_100000766143 [0,1,0,0,0,0|3,0,0]=4 3859 B13R1.119 OCCCCCCSc1cnco1 62a_100000766143_100020591547 [0,1,0,0,0,0|2,0,0]=3 3860 B13R1.119 OCCCCCCSc1cnco1 62a_100020591547_100000766143 [0,1,0,0,0,0|2,0,0]=3 3861 B13R1.119 OCCCCCCSc1cncs1 62a_100000766143_100011934649 [0,1,0,0,0,0|2,1,0]=4 3862 B13R1.119 OCCCCCCSc1cncs1 62a_100011934649_100000766143 [0,1,0,0,0,0|2,1,0]=4 3863 B13R1.119 OCCCCCCSc1cscn1 62a_100000751502_100000766143 [0,1,0,0,0,0|3,0,0]=4 3864 B13R1.119 OCCCCCCSc1cscn1 62a_100000766143_100000751502 [0,1,0,0,0,0|3,0,0]=4 3865 B13R1.119 OCCCCCCSc1ncc[nH]1 62a_100000766143_100025796157 [0,1,0,0,0,0|3,0,0]=4 3866 B13R1.119 OCCCCCCSc1ncc[nH]1 62a_100025796157_100000766143 [0,1,0,0,0,0|3,0,0]=4 3867 B13R1.119 OCCCCCCSc1ncco1 62a_100000766143_100011787736 [0,1,0,0,0,0|2,0,0]=3 3868 B13R1.119 OCCCCCCSc1ncco1 62a_100011787736_100000766143 [0,1,0,0,0,0|2,0,0]=3 3869 B13R1.119 OCCCCCCSc1nccs1 62a_100000211983_100000766143 [0,1,0,0,0,0|2,1,0]=4 3870 B13R1.119 OCCCCCCSc1nccs1 62a_100000766143_100000211983 [0,1,0,0,0,0|2,1,0]=4 3871 B13R1.119 OCCCCCNCc1c[nH]cn1 2230a_100000762737_100000707719 [0,1,0,0,0,0|3,0,0]=4 3872 B13R1.119 OCCCCCNCc1c[nH]cn1 34a_100000762737_100000707719 [0,1,0,0,0,0|3,0,0]=4 3873 B13R1.119 OCCCCCNCc1cc[nH]n1 207a_100000762737_100000738523 [0,1,0,0,0,0|3,0,0]=4 3874 B13R1.119 OCCCCCNCc1cc[nH]n1 270004a_100000762737_100000738523 [0,1,0,0,0,0|3,0,0]=4 3875 B13R1.119 OCCCCCNCc1ccco1 207a_100000762737_100000186105 [0,1,0,0,0,0|1,0,0]=2 3876 B13R1.119 OCCCCCNCc1ccco1 2230a_100000185738_100000746330 [0,1,0,0,0,0|1,0,0]=2 3877 B13R1.119 OCCCCCNCc1ccco1 270004a_100000762737_100000186105 [0,1,0,0,0,0|1,0,0]=2 3878 B13R1.119 OCCCCCNCc1ccco1 34a_100000185738_100000746330 [0,1,0,0,0,0|1,0,0]=2 3879 B13R1.119 OCCCCCNCc1cccs1 207a_100000762737_100000209959 [0,1,0,0,0,0|1,1,0]=3 3880 B13R1.119 OCCCCCNCc1cccs1 2230a_100000211653_100000746330 [0,1,0,0,0,0|1,1,0]=3 3881 B13R1.119 OCCCCCNCc1cccs1 270004a_100000762737_100000209959 [0,1,0,0,0,0|1,1,0]=3 3882 B13R1.119 OCCCCCNCc1ccn[nH]1 2230a_100000762737_100000728653 [0,1,0,0,0,0|3,0,0]=4 3883 B13R1.119 OCCCCCNCc1ccn[nH]1 34a_100000762737_100000728653 [0,1,0,0,0,0|3,0,0]=4 3884 B13R1.119 OCCCCCNCc1ccoc1 207a_100000762737_100011215517 [0,1,0,0,0,0|3,0,0]=4 3885 B13R1.119 OCCCCCNCc1ccoc1 2230a_100015206860_100000746330 [0,1,0,0,0,0|3,0,0]=4 3886 B13R1.119 OCCCCCNCc1ccoc1 270004a_100000762737_100011215517 [0,1,0,0,0,0|3,0,0]=4 3887 B13R1.119 OCCCCCNCc1ccoc1 34a_100015206860_100000746330 [0,1,0,0,0,0|3,0,0]=4 3888 B13R1.119 OCCCCCNCc1ccon1 2230a_100000762737_100000234950 [0,1,0,0,0,0|3,0,0]=4 3889 B13R1.119 OCCCCCNCc1ccon1 34a_100000762737_100000234950 [0,1,0,0,0,0|3,0,0]=4 3890 B13R1.119 OCCCCCNCc1ccsc1 207a_100000762737_100000188534 [0,1,0,0,0,0|3,0,0]=4 3891 B13R1.119 OCCCCCNCc1ccsc1 2230a_100000186416_100000746330 [0,1,0,0,0,0|3,0,0]=4 3892 B13R1.119 OCCCCCNCc1ccsc1 2230a_100000762737_100011261437 [0,1,0,0,0,0|3,0,0]=4 3893 B13R1.119 OCCCCCNCc1ccsc1 270004a_100000762737_100000188534 [0,1,0,0,0,0|3,0,0]=4 3894 B13R1.119 OCCCCCNCc1ccsc1 34a_100000186416_100000746330 [0,1,0,0,0,0|3,0,0]=4 3895 B13R1.119 OCCCCCNCc1ccsc1 34a_100000762737_100011261437 [0,1,0,0,0,0|3,0,0]=4 3896 B13R1.119 OCCCCCNCc1cnc[nH]1 207a_100000762737_100000742939 [0,1,0,0,0,0|3,0,0]=4 3897 B13R1.119 OCCCCCNCc1cnco1 270004a_100000762737_100000064291 [0,1,0,0,0,0|2,0,0]=3 3898 B13R1.119 OCCCCCNCc1cncs1 207a_100000762737_100000749870 [0,1,0,0,0,0|2,1,0]=4 3899 B13R1.119 OCCCCCNCc1cncs1 2230a_100000762737_100015185245 [0,1,0,0,0,0|2,1,0]=4 3900 B13R1.119 OCCCCCNCc1cncs1 2230a_100016987365_100000746330 [0,1,0,0,0,0|2,1,0]=4 3901 B13R1.119 OCCCCCNCc1cncs1 270004a_100000762737_100000749870 [0,1,0,0,0,0|2,1,0]=4 3902 B13R1.119 OCCCCCNCc1cncs1 34a_100000762737_100015185245 [0,1,0,0,0,0|2,1,0]=4 3903 B13R1.119 OCCCCCNCc1cocn1 270004a_100000762737_100000050382 [0,1,0,0,0,0|3,0,0]=4 3904 B13R1.119 OCCCCCNCc1cscn1 207a_100000762737_100000743575 [0,1,0,0,0,0|3,0,0]=4 3905 B13R1.119 OCCCCCNCc1cscn1 2230a_100000762737_100000205941 [0,1,0,0,0,0|3,0,0]=4 3906 B13R1.119 OCCCCCNCc1cscn1 2230a_100015185402_100000746330 [0,1,0,0,0,0|3,0,0]=4 3907 B13R1.119 OCCCCCNCc1cscn1 270004a_100000762737_100000743575 [0,1,0,0,0,0|3,0,0]=4 3908 B13R1.119 OCCCCCNCc1cscn1 34a_100000762737_100000205941 [0,1,0,0,0,0|3,0,0]=4 3909 B13R1.119 OCCCCCNCc1ncc[nH]1 207a_100000762737_100000743867 [0,1,0,0,0,0|3,0,0]=4 3910 B13R1.119 OCCCCCNCc1ncc[nH]1 2230a_100000762737_100016991755 [0,1,0,0,0,0|3,0,0]=4 3911 B13R1.119 OCCCCCNCc1ncc[nH]1 34a_100000762737_100016991755 [0,1,0,0,0,0|3,0,0]=4 3912 B13R1.119 OCCCCCNCc1ncco1 2230a_100000762737_103436540062 [0,1,0,0,0,0|2,0,0]=3 3913 B13R1.119 OCCCCCNCc1ncco1 2230a_100016994969_100000746330 [0,1,0,0,0,0|2,0,0]=3 3914 B13R1.119 OCCCCCNCc1ncco1 270004a_100000762737_100000064290 [0,1,0,0,0,0|2,0,0]=3 3915 B13R1.119 OCCCCCNCc1ncco1 34a_100000762737_103436540062 [0,1,0,0,0,0|2,0,0]=3 3916 B13R1.119 OCCCCCNCc1nccs1 207a_100000762737_100000750902 [0,1,0,0,0,0|2,1,0]=4 3917 B13R1.119 OCCCCCNCc1nccs1 2230a_100000740555_100000746330 [0,1,0,0,0,0|2,1,0]=4 3918 B13R1.119 OCCCCCNCc1nccs1 2230a_100000762737_100015184050 [0,1,0,0,0,0|2,1,0]=4 3919 B13R1.119 OCCCCCNCc1nccs1 270004a_100000762737_100000750902 [0,1,0,0,0,0|2,1,0]=4 3920 B13R1.119 OCCCCCNCc1nccs1 34a_100000762737_100015184050 [0,1,0,0,0,0|2,1,0]=4 3921 B13R1.119 OCCCCCOCc1ccco1 34a_100000210059_100000746330 [0,1,0,0,0,0|1,0,0]=2 3922 B13R1.119 OCCCCCOCc1cccs1 34a_100000211240_100000746330 [0,1,0,0,0,0|1,1,0]=3 3923 B13R1.119 OCCCCCOCc1ccno1 34a_100000740478_100000746330 [0,1,0,0,0,0|2,0,0]=3 3924 B13R1.119 OCCCCCOCc1ccoc1 34a_100011215357_100000746330 [0,1,0,0,0,0|3,0,0]=4 3925 B13R1.119 OCCCCCOCc1ccsc1 34a_100011215551_100000746330 [0,1,0,0,0,0|3,0,0]=4 3926 B13R1.119 OCCCCCOCc1ncco1 34a_100000062594_100000746330 [0,1,0,0,0,0|2,0,0]=3 3927 B13R1.119 OCCCCCOCn1cccn1 34a_100000731028_100000746330 [0,1,0,0,0,0|3,0,0]=4 3928 B13R1.119 OCCCCCSCc1c[nH]cn1 62a_100000707719_100000746330 [0,1,0,0,0,0|3,0,0]=4 3929 B13R1.119 OCCCCCSCc1c[nH]cn1 62a_100000746330_100000707719 [0,1,0,0,0,0|3,0,0]=4 3930 B13R1.119 OCCCCCSCc1ccn[nH]1 62a_100000728653_100000746330 [0,1,0,0,0,0|3,0,0]=4 3931 B13R1.119 OCCCCCSCc1ccn[nH]1 62a_100000746330_100000728653 [0,1,0,0,0,0|3,0,0]=4 3932 B13R1.119 OCCCCCSCc1ccon1 62a_100000234950_100000746330 [0,1,0,0,0,0|3,0,0]=4 3933 B13R1.119 OCCCCCSCc1ccon1 62a_100000746330_100000234950 [0,1,0,0,0,0|3,0,0]=4 3934 B13R1.119 OCCCCCSCc1ccsc1 62a_100000746330_100011233845 [0,1,0,0,0,0|3,0,0]=4 3935 B13R1.119 OCCCCCSCc1ccsc1 62a_100011261437_100000746330 [0,1,0,0,0,0|3,0,0]=4 3936 B13R1.119 OCCCCCSCc1cncs1 62a_100000746330_100015185245 [0,1,0,0,0,0|2,1,0]=4 3937 B13R1.119 OCCCCCSCc1cncs1 62a_100015185245_100000746330 [0,1,0,0,0,0|2,1,0]=4 3938 B13R1.119 OCCCCCSCc1cscn1 62a_100000205941_100000746330 [0,1,0,0,0,0|3,0,0]=4 3939 B13R1.119 OCCCCCSCc1cscn1 62a_100000746330_100000205941 [0,1,0,0,0,0|3,0,0]=4 3940 B13R1.119 OCCCCCSCc1ncc[nH]1 62a_100000746330_100016991755 [0,1,0,0,0,0|3,0,0]=4 3941 B13R1.119 OCCCCCSCc1ncc[nH]1 62a_100016991755_100000746330 [0,1,0,0,0,0|3,0,0]=4 3942 B13R1.119 OCCCCCSCc1ncco1 62a_100000746330_103436540062 [0,1,0,0,0,0|2,0,0]=3 3943 B13R1.119 OCCCCCSCc1ncco1 62a_103436540062_100000746330 [0,1,0,0,0,0|2,0,0]=3 3944 B13R1.119 OCCCCCSCc1nccs1 62a_100000746330_100015184050 [0,1,0,0,0,0|2,1,0]=4 3945 B13R1.119 OCCCCCSCc1nccs1 62a_100015184050_100000746330 [0,1,0,0,0,0|2,1,0]=4 3946 B13R1.119 OCCCCNCCc1c[nH]cn1 2230a_100000750430_100020628418 [0,1,0,0,0,0|3,0,0]=4 3947 B13R1.119 OCCCCNCCc1ccco1 2230a_100000694680_100000210776 [0,1,0,0,0,0|1,0,0]=2 3948 B13R1.119 OCCCCNCCc1ccco1 34a_100000694680_100011216708 [0,1,0,0,0,0|1,0,0]=2 3949 B13R1.119 OCCCCNCCc1cccs1 2230a_100000203755_100000210776 [0,1,0,0,0,0|1,1,0]=3 3950 B13R1.119 OCCCCNCCc1cccs1 2230a_100000750430_100000748579 [0,1,0,0,0,0|1,1,0]=3 3951 B13R1.119 OCCCCNCCc1cccs1 34a_100000203755_100011216708 [0,1,0,0,0,0|1,1,0]=3 3952 B13R1.119 OCCCCNCCc1cccs1 34a_100000750430_100000748579 [0,1,0,0,0,0|1,1,0]=3 3953 B13R1.119 OCCCCNCCc1ccsc1 2230a_100000692642_100000210776 [0,1,0,0,0,0|3,0,0]=4 3954 B13R1.119 OCCCCNCCc1ccsc1 34a_100000692642_100011216708 [0,1,0,0,0,0|3,0,0]=4 3955 B13R1.119 OCCCCNCCc1cncs1 2230a_100016991637_100000210776 [0,1,0,0,0,0|2,1,0]=4 3956 B13R1.119 OCCCCNCCc1nccs1 2230a_100015186391_100000210776 [0,1,0,0,0,0|2,1,0]=4 3957 B13R1.119 OCCCCNCCn1cccc1 2230a_100000750430_200009811947 [0,1,0,0,0,0|3,0,0]=4 3958 B13R1.119 OCCCCNCCn1cccc1 34a_100011368172_100011216708 [0,1,0,0,0,0|3,0,0]=4 3959 B13R1.119 OCCCCNCCn1cccn1 2230a_100000750430_100000685285 [0,1,0,0,0,0|3,0,0]=4 3960 B13R1.119 OCCCCNCCn1cccn1 2230a_100011200920_100000210776 [0,1,0,0,0,0|3,0,0]=4 3961 B13R1.119 OCCCCNCCn1cccn1 34a_100000750430_100015204718 [0,1,0,0,0,0|3,0,0]=4 3962 B13R1.119 OCCCCOCCc1cccs1 34a_100011216825_100011216708 [0,1,0,0,0,0|1,1,0]=3 3963 B13R1.119 OCCCCOCCc1cccs1 7a_100011216825_100000210776 [0,1,0,0,0,0|1,1,0]=3 3964 B13R1.119 OCCCCOCCc1ccsc1 34a_100000748821_100011216708 [0,1,0,0,0,0|3,0,0]=4 3965 B13R1.119 OCCCCOCCc1ncc[nH]1 34a_103549771195_100011216708 [0,1,0,0,0,0|3,0,0]=4 3966 B13R1.119 OCCCCOCCn1cccc1 34a_100000179382_100011216708 [0,1,0,0,0,0|3,0,0]=4 3967 B13R1.119 OCCCCOCCn1cccn1 34a_100000743371_100011216708 [0,1,0,0,0,0|3,0,0]=4 3968 B13R1.119 OCCCCSCCc1c[nH]cn1 62a_100000210776_100020628418 [0,1,0,0,0,0|3,0,0]=4 3969 B13R1.119 OCCCCSCCc1c[nH]cn1 62a_100020628418_100000210776 [0,1,0,0,0,0|3,0,0]=4 3970 B13R1.119 OCCCCSCCc1cccs1 62a_100000210776_100000748579 [0,1,0,0,0,0|1,1,0]=3 3971 B13R1.119 OCCCCSCCc1cccs1 62a_100000748579_100000210776 [0,1,0,0,0,0|1,1,0]=3 3972 B13R1.119 OCCCCSCCn1cccc1 62a_100000210776_200000035178 [0,1,0,0,0,0|3,0,0]=4 3973 B13R1.119 OCCCCSCCn1cccc1 62a_200009811947_100000210776 [0,1,0,0,0,0|3,0,0]=4 3974 B13R1.119 OCCCCSCCn1cccn1 62a_100000210776_100000685285 [0,1,0,0,0,0|3,0,0]=4 3975 B13R1.119 OCCCCSCCn1cccn1 62a_100015204718_100000210776 [0,1,0,0,0,0|3,0,0]=4 3976 B13R1.119 OCCCNCC=Cc1ccco1 270004a_100000182051_100000185671 [0,1,0,0,0,0|1,0,2]=4 3977 B13R1.119 OCCCOCCCc1cccs1 34a_100011713143_100000230001 [0,1,0,0,0,0|1,1,0]=3 3978 B13R1.119 OCCCOCCCc1cccs1 7a_100011713143_100011215043 [0,1,0,0,0,0|1,1,0]=3 3979 B13R1.119 OCCCOCCCc1ccsc1 34a_200000699776_100000230001 [0,1,0,0,0,0|3,0,0]=4 3980 B13R1.119 OCCCOCCCc1ccsc1 7a_200000699776_100011215043 [0,1,0,0,0,0|3,0,0]=4 3981 B13R1.119 OCCCOCCCn1cccc1 34a_100000179399_100000230001 [0,1,0,0,0,0|3,0,0]=4 3982 B13R1.119 OCCCOCCCn1cccc1 7a_100000179399_100011215043 [0,1,0,0,0,0|3,0,0]=4 3983 B13R1.119 OCCCOCCCn1cccn1 34a_100000753614_100000230001 [0,1,0,0,0,0|3,0,0]=4 3984 B13R1.119 OCCCSCCCc1cccs1 62a_100010992444_100011215043 [0,1,0,0,0,0|1,1,0]=3 3985 B13R1.119 OCCCSCCCc1cccs1 62a_100011215043_100010992444 [0,1,0,0,0,0|1,1,0]=3 3986 B13R1.119 OCCCSCCCn1cccc1 62a_100011215043_200009814367 [0,1,0,0,0,0|3,0,0]=4 3987 B13R1.119 OCCCSCCCn1cccc1 62a_200009814367_100011215043 [0,1,0,0,0,0|3,0,0]=4 3988 B13R1.119 OCCCSCCCn1cccn1 62a_100000739983_100011215043 [0,1,0,0,0,0|3,0,0]=4 3989 B13R1.119 OCCCSCCCn1cccn1 62a_100011215043_100000739983 [0,1,0,0,0,0|3,0,0]=4 3990 B13R1.119 OCCNCCSCc1ccco1 2230a_100000184675_100000211926 [0,1,0,0,0,0|2,0,0]=3 3991 B13R1.119 OCCNCCSCc1ccco1 7a_100000184675_100000211926 [0,1,0,0,0,0|2,0,0]=3 3992 B13R1.119 OCCOCCNCc1ccco1 207a_100000211614_100000186105 [0,1,0,0,0,0|2,0,0]=3 3993 B13R1.119 OCCOCCNCc1ccco1 2230a_100000185738_100011215305 [0,1,0,0,0,0|2,0,0]=3 3994 B13R1.119 OCCOCCNCc1ccco1 270004a_100000211614_100000186105 [0,1,0,0,0,0|2,0,0]=3 3995 B13R1.119 OCCOCCNCc1ccco1 34a_100000185738_100000692535 [0,1,0,0,0,0|2,0,0]=3 3996 B13R1.119 OCCOCCNCc1cccs1 207a_100000211614_100000209959 [0,1,0,0,0,0|2,1,0]=4 3997 B13R1.119 OCCOCCNCc1cccs1 2230a_100000211653_100011215305 [0,1,0,0,0,0|2,1,0]=4 3998 B13R1.119 OCCOCCNCc1cccs1 270004a_100000211614_100000209959 [0,1,0,0,0,0|2,1,0]=4 3999 B13R1.119 OCCOCCNCc1cnco1 270004a_100000211614_100000064291 [0,1,0,0,0,0|3,0,0]=4 4000 B13R1.119 OCCOCCNCc1ncco1 2230a_100000211614_103436540062 [0,1,0,0,0,0|3,0,0]=4 4001 B13R1.119 OCCOCCNCc1ncco1 2230a_100016994969_100011215305 [0,1,0,0,0,0|3,0,0]=4 4002 B13R1.119 OCCOCCNCc1ncco1 270004a_100000211614_100000064290 [0,1,0,0,0,0|3,0,0]=4 4003 B13R1.119 OCCOCCNCc1ncco1 34a_100000211614_103436540062 [0,1,0,0,0,0|3,0,0]=4 4004 B13R1.119 OCCOCCOCc1ccco1 34a_100000210059_100000692535 [0,1,0,0,0,0|2,0,0]=3 4005 B13R1.119 OCCOCCOCc1cccs1 34a_100000211240_100000692535 [0,1,0,0,0,0|2,1,0]=4 4006 B13R1.119 OCCOCCOCc1ccno1 34a_100000740478_100000692535 [0,1,0,0,0,0|3,0,0]=4 4007 B13R1.119 OCCOCCOCc1ncco1 34a_100000062594_100000692535 [0,1,0,0,0,0|3,0,0]=4 4008 B13R1.119 OCCOCCSCc1ncco1 62a_100011215305_103436540062 [0,1,0,0,0,0|3,0,0]=4 4009 B13R1.119 OCCOCCSCc1ncco1 62a_103436540062_100011215305 [0,1,0,0,0,0|3,0,0]=4 4010 B13R1.119 OCCSCCNCc1ccco1 207a_100011219999_100000186105 [0,1,0,0,0,0|2,0,0]=3 4011 B13R1.119 OCCSCCNCc1ccco1 270004a_100011219999_100000186105 [0,1,0,0,0,0|2,0,0]=3 4012 B13R1.119 OCCSCCNCc1cccs1 207a_100011219999_100000209959 [0,1,0,0,0,0|2,1,0]=4 4013 B13R1.119 OCCSCCNCc1cccs1 270004a_100011219999_100000209959 [0,1,0,0,0,0|2,1,0]=4 4014 B13R1.119 OCCSCCNCc1cnco1 270004a_100011219999_100000064291 [0,1,0,0,0,0|3,0,0]=4 4015 B13R1.119 OCCSCCNCc1ncco1 2230a_100011219999_103436540062 [0,1,0,0,0,0|3,0,0]=4 4016 B13R1.119 OCCSCCNCc1ncco1 270004a_100011219999_100000064290 [0,1,0,0,0,0|3,0,0]=4 4017 B13R1.119 [N-]=[N+]=NCCCNCc1ccco1 270004a_100000744732_100000186105 [0,1,0,0,0,0|3,0,0]=4 4018 B13R1.153 C#CCCC(=O)CCc1ccco1 1458a_100000185103_100000753159 [0,1,0,0,0,0|0,0,3]=4 4019 B13R1.153 C#CCNC(C)CCc1ccco1 2230a_100000199034_100000038162 [0,1,0,0,0,0|1,0,2]=4 4020 B13R1.153 C#CCNC(C)CCc1ccco1 34a_100000199034_100000184674 [0,1,0,0,0,0|1,0,2]=4 4021 B13R1.153 C/C=C/CC(=O)CCc1ccco1 1458a_100000185103_100102629194 [0,1,0,0,0,0|0,0,3]=4 4022 B13R1.153 C=CCCC(=O)CCc1ccco1 1458a_100000185103_100000754431 [0,1,0,0,0,0|0,0,3]=4 4023 B13R1.153 C=CCCC(C)NCc1ccco1 270004a_100000185738_100000762624 [0,1,0,0,0,0|1,0,2]=4 4024 B13R1.153 C=CCNC(C)CCc1ccco1 2230a_100000199034_100000210623 [0,1,0,0,0,0|1,0,2]=4 4025 B13R1.153 C=CCNC(C)CCc1ccco1 34a_100000199034_100015514636 [0,1,0,0,0,0|1,0,2]=4 4026 B13R1.153 CC#CCC(=O)CCc1ccco1 1458a_100000185103_100000748600 [0,1,0,0,0,0|0,0,3]=4 4027 B13R1.153 CC(CCCCl)OCc1ncco1 34a_200000718107_103436540062 [0,1,0,0,0,0|3,0,0]=4 4028 B13R1.153 CC(CCCCl)OCc1ncco1 7a_200000718107_103436540062 [0,1,0,0,0,0|3,0,0]=4 4029 B13R1.153 CC(CCc1ccco1)NCC#N 2230a_100000199034_100011215382 [0,1,0,0,0,0|2,0,1]=4 4030 B13R1.153 CC(CCc1ccco1)NCC=O 2230a_100000199034_200015260668 [0,1,0,0,0,0|2,0,1]=4 4031 B13R1.153 CC(CCc1ccco1)NCC=O 34a_100000199034_200009817547 [0,1,0,0,0,0|2,0,1]=4 4032 B13R1.153 CC(CCc1ccco1)NCCF 2230a_100000199034_100011217306 [0,1,0,0,0,0|2,0,0]=3 4033 B13R1.153 CC(CCc1ccco1)NCCF 34a_100000199034_100011217306 [0,1,0,0,0,0|2,0,0]=3 4034 B13R1.153 CC(CCc1ccco1)NCCO 2230a_100000199034_100000211926 [0,1,0,0,0,0|2,0,0]=3 4035 B13R1.153 CC(CCc1ccco1)NCCO 34a_100000199034_100000211926 [0,1,0,0,0,0|2,0,0]=3 4036 B13R1.153 CC=CCC(=O)CCc1ccco1 1458a_100000185103_100000070051 [0,1,0,0,0,0|0,0,3]=4 4037 B13R1.153 CCCCC(=O)CCc1c[nH]cn1 1458a_100000210183_100020628418 [0,1,0,0,0,0|2,0,1]=4 4038 B13R1.153 CCCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210211 [0,1,0,0,0,0|2,0,1]=4 4039 B13R1.153 CCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210211 [0,1,0,0,0,0|1,0,1]=3 4040 B13R1.153 CCCCC(=O)CCc1ccco1 1458a_100000185103_100000210211 [0,1,0,0,0,0|0,0,1]=2 4041 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000185280_100000210211 [0,1,0,0,0,0|0,1,1]=3 4042 B13R1.153 CCCCC(=O)CCc1cccs1 1458a_100000210183_100000748579 [0,1,0,0,0,0|0,1,1]=3 4043 B13R1.153 CCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210211 [0,1,0,0,0,0|2,0,1]=4 4044 B13R1.153 CCCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210211 [0,1,0,0,0,0|2,0,1]=4 4045 B13R1.153 CCCCC(=O)CCc1cncs1 1458a_100012184922_100000210211 [0,1,0,0,0,0|1,1,1]=4 4046 B13R1.153 CCCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210211 [0,1,0,0,0,0|2,0,1]=4 4047 B13R1.153 CCCCC(=O)CCc1nccs1 1458a_100000742873_100000210211 [0,1,0,0,0,0|1,1,1]=4 4048 B13R1.153 CCCCC(=O)CCn1cccc1 1458a_100000210183_200000035178 [0,1,0,0,0,0|2,0,1]=4 4049 B13R1.153 CCCCC(=O)CCn1cccc1 1458a_100011196273_100000210211 [0,1,0,0,0,0|2,0,1]=4 4050 B13R1.153 CCCCC(=O)CCn1cccn1 1458a_100000210183_100000685285 [0,1,0,0,0,0|2,0,1]=4 4051 B13R1.153 CCCCC(=O)CCn1cccn1 1458a_100000242649_100000210211 [0,1,0,0,0,0|2,0,1]=4 4052 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210183 [0,1,0,0,0,0|2,0,1]=4 4053 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210183 [0,1,0,0,0,0|2,0,1]=4 4054 B13R1.153 CCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210183 [0,1,0,0,0,0|2,0,1]=4 4055 B13R1.153 CCCCC(=O)NCc1ccco1 11a_100000185738_100000210183 [0,1,0,0,0,0|1,0,1]=3 4056 B13R1.153 CCCCC(=O)NCc1ccco1 1626a_100000185738_100000210183 [0,1,0,0,0,0|1,0,1]=3 4057 B13R1.153 CCCCC(=O)NCc1ccco1 240690a_100000185738_100000210183 [0,1,0,0,0,0|1,0,1]=3 4058 B13R1.153 CCCCC(=O)NCc1ccco1 527a_100000185738_100000210183 [0,1,0,0,0,0|1,0,1]=3 4059 B13R1.153 CCCCC(=O)NCc1cccs1 11a_100000211653_100000210183 [0,1,0,0,0,0|1,1,1]=4 4060 B13R1.153 CCCCC(=O)NCc1cccs1 1626a_100000211653_100000210183 [0,1,0,0,0,0|1,1,1]=4 4061 B13R1.153 CCCCC(=O)NCc1cccs1 240690a_100000211653_100000210183 [0,1,0,0,0,0|1,1,1]=4 4062 B13R1.153 CCCCC(=O)NCc1cccs1 527a_100000211653_100000210183 [0,1,0,0,0,0|1,1,1]=4 4063 B13R1.153 CCCCC(=O)NCc1cnco1 11a_100020634212_100000210183 [0,1,0,0,0,0|2,0,1]=4 4064 B13R1.153 CCCCC(=O)NCc1cnco1 240690a_100020634212_100000210183 [0,1,0,0,0,0|2,0,1]=4 4065 B13R1.153 CCCCC(=O)NCc1cnco1 527a_100020634212_100000210183 [0,1,0,0,0,0|2,0,1]=4 4066 B13R1.153 CCCCC(=O)NCc1ncco1 11a_100016994969_100000210183 [0,1,0,0,0,0|2,0,1]=4 4067 B13R1.153 CCCCC(=O)NCc1ncco1 1626a_100016994969_100000210183 [0,1,0,0,0,0|2,0,1]=4 4068 B13R1.153 CCCCC(=O)NCc1ncco1 240690a_100016994969_100000210183 [0,1,0,0,0,0|2,0,1]=4 4069 B13R1.153 CCCCC(=O)NCc1ncco1 527a_100016994969_100000210183 [0,1,0,0,0,0|2,0,1]=4 4070 B13R1.153 CCCCC(C)NCc1c[nH]cn1 2230a_100000126638_100000707719 [0,1,0,0,0,0|3,0,0]=4 4071 B13R1.153 CCCCC(C)NCc1cc[nH]n1 207a_100000126638_100000738523 [0,1,0,0,0,0|3,0,0]=4 4072 B13R1.153 CCCCC(C)NCc1cc[nH]n1 270004a_100000126638_100000738523 [0,1,0,0,0,0|3,0,0]=4 4073 B13R1.153 CCCCC(C)NCc1ccco1 207a_100000126638_100000186105 [0,1,0,0,0,0|1,0,0]=2 4074 B13R1.153 CCCCC(C)NCc1ccco1 2230a_100000185738_200011215066 [0,1,0,0,0,0|1,0,0]=2 4075 B13R1.153 CCCCC(C)NCc1ccco1 270004a_100000126638_100000186105 [0,1,0,0,0,0|1,0,0]=2 4076 B13R1.153 CCCCC(C)NCc1ccco1 270004a_100000185738_100000210087 [0,1,0,0,0,0|1,0,0]=2 4077 B13R1.153 CCCCC(C)NCc1ccco1 34a_100000185738_200011215066 [0,1,0,0,0,0|1,0,0]=2 4078 B13R1.153 CCCCC(C)NCc1cccs1 207a_100000126638_100000209959 [0,1,0,0,0,0|1,1,0]=3 4079 B13R1.153 CCCCC(C)NCc1cccs1 2230a_100000211653_200011215066 [0,1,0,0,0,0|1,1,0]=3 4080 B13R1.153 CCCCC(C)NCc1cccs1 270004a_100000126638_100000209959 [0,1,0,0,0,0|1,1,0]=3 4081 B13R1.153 CCCCC(C)NCc1cccs1 270004a_100000211653_100000210087 [0,1,0,0,0,0|1,1,0]=3 4082 B13R1.153 CCCCC(C)NCc1ccn[nH]1 2230a_100000126638_100000728653 [0,1,0,0,0,0|3,0,0]=4 4083 B13R1.153 CCCCC(C)NCc1ccoc1 207a_100000126638_100011215517 [0,1,0,0,0,0|3,0,0]=4 4084 B13R1.153 CCCCC(C)NCc1ccoc1 2230a_100015206860_200011215066 [0,1,0,0,0,0|3,0,0]=4 4085 B13R1.153 CCCCC(C)NCc1ccoc1 270004a_100000126638_100011215517 [0,1,0,0,0,0|3,0,0]=4 4086 B13R1.153 CCCCC(C)NCc1ccoc1 270004a_100015206860_100000210087 [0,1,0,0,0,0|3,0,0]=4 4087 B13R1.153 CCCCC(C)NCc1ccoc1 34a_100015206860_200011215066 [0,1,0,0,0,0|3,0,0]=4 4088 B13R1.153 CCCCC(C)NCc1ccon1 2230a_100000126638_100000234950 [0,1,0,0,0,0|3,0,0]=4 4089 B13R1.153 CCCCC(C)NCc1ccon1 270004a_100000688301_100000210087 [0,1,0,0,0,0|3,0,0]=4 4090 B13R1.153 CCCCC(C)NCc1ccsc1 207a_100000126638_100000188534 [0,1,0,0,0,0|3,0,0]=4 4091 B13R1.153 CCCCC(C)NCc1ccsc1 2230a_100000126638_100011261437 [0,1,0,0,0,0|3,0,0]=4 4092 B13R1.153 CCCCC(C)NCc1ccsc1 2230a_100000186416_200011215066 [0,1,0,0,0,0|3,0,0]=4 4093 B13R1.153 CCCCC(C)NCc1ccsc1 270004a_100000126638_100000188534 [0,1,0,0,0,0|3,0,0]=4 4094 B13R1.153 CCCCC(C)NCc1ccsc1 270004a_100000186416_100000210087 [0,1,0,0,0,0|3,0,0]=4 4095 B13R1.153 CCCCC(C)NCc1ccsc1 34a_100000186416_200011215066 [0,1,0,0,0,0|3,0,0]=4 4096 B13R1.153 CCCCC(C)NCc1cnc[nH]1 207a_100000126638_100000742939 [0,1,0,0,0,0|3,0,0]=4 4097 B13R1.153 CCCCC(C)NCc1cnco1 270004a_100000126638_100000064291 [0,1,0,0,0,0|2,0,0]=3 4098 B13R1.153 CCCCC(C)NCc1cnco1 270004a_100020634212_100000210087 [0,1,0,0,0,0|2,0,0]=3 4099 B13R1.153 CCCCC(C)NCc1cncs1 207a_100000126638_100000749870 [0,1,0,0,0,0|2,1,0]=4 4100 B13R1.153 CCCCC(C)NCc1cncs1 2230a_100000126638_100015185245 [0,1,0,0,0,0|2,1,0]=4 4101 B13R1.153 CCCCC(C)NCc1cncs1 2230a_100016987365_200011215066 [0,1,0,0,0,0|2,1,0]=4 4102 B13R1.153 CCCCC(C)NCc1cncs1 270004a_100000126638_100000749870 [0,1,0,0,0,0|2,1,0]=4 4103 B13R1.153 CCCCC(C)NCc1cncs1 270004a_100016987365_100000210087 [0,1,0,0,0,0|2,1,0]=4 4104 B13R1.153 CCCCC(C)NCc1cocn1 270004a_100000126638_100000050382 [0,1,0,0,0,0|3,0,0]=4 4105 B13R1.153 CCCCC(C)NCc1cocn1 270004a_100015188801_100000210087 [0,1,0,0,0,0|3,0,0]=4 4106 B13R1.153 CCCCC(C)NCc1cscn1 207a_100000126638_100000743575 [0,1,0,0,0,0|3,0,0]=4 4107 B13R1.153 CCCCC(C)NCc1cscn1 2230a_100000126638_100000205941 [0,1,0,0,0,0|3,0,0]=4 4108 B13R1.153 CCCCC(C)NCc1cscn1 2230a_100015185402_200011215066 [0,1,0,0,0,0|3,0,0]=4 4109 B13R1.153 CCCCC(C)NCc1cscn1 270004a_100000126638_100000743575 [0,1,0,0,0,0|3,0,0]=4 4110 B13R1.153 CCCCC(C)NCc1ncc[nH]1 207a_100000126638_100000743867 [0,1,0,0,0,0|3,0,0]=4 4111 B13R1.153 CCCCC(C)NCc1ncc[nH]1 2230a_100000126638_100016991755 [0,1,0,0,0,0|3,0,0]=4 4112 B13R1.153 CCCCC(C)NCc1ncc[nH]1 270004a_100000754540_100000210087 [0,1,0,0,0,0|3,0,0]=4 4113 B13R1.153 CCCCC(C)NCc1ncco1 2230a_100000126638_103436540062 [0,1,0,0,0,0|2,0,0]=3 4114 B13R1.153 CCCCC(C)NCc1ncco1 2230a_100016994969_200011215066 [0,1,0,0,0,0|2,0,0]=3 4115 B13R1.153 CCCCC(C)NCc1ncco1 270004a_100000126638_100000064290 [0,1,0,0,0,0|2,0,0]=3 4116 B13R1.153 CCCCC(C)NCc1nccs1 207a_100000126638_100000750902 [0,1,0,0,0,0|2,1,0]=4 4117 B13R1.153 CCCCC(C)NCc1nccs1 2230a_100000126638_100015184050 [0,1,0,0,0,0|2,1,0]=4 4118 B13R1.153 CCCCC(C)NCc1nccs1 2230a_100000740555_200011215066 [0,1,0,0,0,0|2,1,0]=4 4119 B13R1.153 CCCCC(C)NCc1nccs1 270004a_100000126638_100000750902 [0,1,0,0,0,0|2,1,0]=4 4120 B13R1.153 CCCCC(C)NCc1nccs1 270004a_100000740555_100000210087 [0,1,0,0,0,0|2,1,0]=4 4121 B13R1.153 CCCCC(C)OCc1c[nH]cn1 34a_100000687866_100000707719 [0,1,0,0,0,0|3,0,0]=4 4122 B13R1.153 CCCCC(C)OCc1ccco1 34a_100000210059_200011215066 [0,1,0,0,0,0|1,0,0]=2 4123 B13R1.153 CCCCC(C)OCc1cccs1 34a_100000211240_200011215066 [0,1,0,0,0,0|1,1,0]=3 4124 B13R1.153 CCCCC(C)OCc1ccn[nH]1 34a_100000687866_100000728653 [0,1,0,0,0,0|3,0,0]=4 4125 B13R1.153 CCCCC(C)OCc1ccn[nH]1 7a_100000687866_100000728653 [0,1,0,0,0,0|3,0,0]=4 4126 B13R1.153 CCCCC(C)OCc1ccno1 34a_100000740478_200011215066 [0,1,0,0,0,0|2,0,0]=3 4127 B13R1.153 CCCCC(C)OCc1ccoc1 34a_100011215357_200011215066 [0,1,0,0,0,0|3,0,0]=4 4128 B13R1.153 CCCCC(C)OCc1ccon1 34a_100000687866_100000234950 [0,1,0,0,0,0|3,0,0]=4 4129 B13R1.153 CCCCC(C)OCc1ccon1 7a_100000687866_100000234950 [0,1,0,0,0,0|3,0,0]=4 4130 B13R1.153 CCCCC(C)OCc1ccsc1 34a_100000687866_100011261437 [0,1,0,0,0,0|3,0,0]=4 4131 B13R1.153 CCCCC(C)OCc1ccsc1 34a_100011215551_200011215066 [0,1,0,0,0,0|3,0,0]=4 4132 B13R1.153 CCCCC(C)OCc1ccsc1 7a_100000687866_100011261437 [0,1,0,0,0,0|3,0,0]=4 4133 B13R1.153 CCCCC(C)OCc1cncs1 34a_100000687866_100015185245 [0,1,0,0,0,0|2,1,0]=4 4134 B13R1.153 CCCCC(C)OCc1cncs1 7a_100000687866_100015185245 [0,1,0,0,0,0|2,1,0]=4 4135 B13R1.153 CCCCC(C)OCc1cscn1 34a_100000687866_100000205941 [0,1,0,0,0,0|3,0,0]=4 4136 B13R1.153 CCCCC(C)OCc1cscn1 7a_100000687866_100000205941 [0,1,0,0,0,0|3,0,0]=4 4137 B13R1.153 CCCCC(C)OCc1ncc[nH]1 34a_100000687866_100016991755 [0,1,0,0,0,0|3,0,0]=4 4138 B13R1.153 CCCCC(C)OCc1ncc[nH]1 7a_100000687866_100000753453 [0,1,0,0,0,0|3,0,0]=4 4139 B13R1.153 CCCCC(C)OCc1ncco1 34a_100000062594_200011215066 [0,1,0,0,0,0|2,0,0]=3 4140 B13R1.153 CCCCC(C)OCc1ncco1 34a_100000687866_103436540062 [0,1,0,0,0,0|2,0,0]=3 4141 B13R1.153 CCCCC(C)OCc1ncco1 7a_100000687866_103436540062 [0,1,0,0,0,0|2,0,0]=3 4142 B13R1.153 CCCCC(C)OCc1nccs1 34a_100000687866_100015184050 [0,1,0,0,0,0|2,1,0]=4 4143 B13R1.153 CCCCC(C)OCc1nccs1 7a_100000687866_100015184050 [0,1,0,0,0,0|2,1,0]=4 4144 B13R1.153 CCCCC(C)OCn1cccn1 34a_100000731028_200011215066 [0,1,0,0,0,0|3,0,0]=4 4145 B13R1.153 CCCCC(C)SCc1c[nH]cn1 62a_100000707719_200011215066 [0,1,0,0,0,0|3,0,0]=4 4146 B13R1.153 CCCCC(C)SCc1c[nH]cn1 62a_200011215066_100000707719 [0,1,0,0,0,0|3,0,0]=4 4147 B13R1.153 CCCCC(C)SCc1ccn[nH]1 62a_100000728653_200011215066 [0,1,0,0,0,0|3,0,0]=4 4148 B13R1.153 CCCCC(C)SCc1ccn[nH]1 62a_200011215066_100000728653 [0,1,0,0,0,0|3,0,0]=4 4149 B13R1.153 CCCCC(C)SCc1ccon1 62a_100000234950_200011215066 [0,1,0,0,0,0|3,0,0]=4 4150 B13R1.153 CCCCC(C)SCc1ccon1 62a_200011215066_100000234950 [0,1,0,0,0,0|3,0,0]=4 4151 B13R1.153 CCCCC(C)SCc1ccsc1 62a_100011261437_200011215066 [0,1,0,0,0,0|3,0,0]=4 4152 B13R1.153 CCCCC(C)SCc1ccsc1 62a_200011215066_100011233845 [0,1,0,0,0,0|3,0,0]=4 4153 B13R1.153 CCCCC(C)SCc1cncs1 62a_100015185245_200011215066 [0,1,0,0,0,0|2,1,0]=4 4154 B13R1.153 CCCCC(C)SCc1cncs1 62a_200011215066_100015185245 [0,1,0,0,0,0|2,1,0]=4 4155 B13R1.153 CCCCC(C)SCc1cscn1 62a_100000205941_200011215066 [0,1,0,0,0,0|3,0,0]=4 4156 B13R1.153 CCCCC(C)SCc1cscn1 62a_200011215066_100000205941 [0,1,0,0,0,0|3,0,0]=4 4157 B13R1.153 CCCCC(C)SCc1ncc[nH]1 62a_100016991755_200011215066 [0,1,0,0,0,0|3,0,0]=4 4158 B13R1.153 CCCCC(C)SCc1ncc[nH]1 62a_200011215066_100016991755 [0,1,0,0,0,0|3,0,0]=4 4159 B13R1.153 CCCCC(C)SCc1ncco1 62a_103436540062_200011215066 [0,1,0,0,0,0|2,0,0]=3 4160 B13R1.153 CCCCC(C)SCc1ncco1 62a_200011215066_103436540062 [0,1,0,0,0,0|2,0,0]=3 4161 B13R1.153 CCCCC(C)SCc1nccs1 62a_100015184050_200011215066 [0,1,0,0,0,0|2,1,0]=4 4162 B13R1.153 CCCCC(C)SCc1nccs1 62a_200011215066_100015184050 [0,1,0,0,0,0|2,1,0]=4 4163 B13R1.153 CCCCN(C)CCc1c[nH]cn1 2230a_100000207549_100020628418 [0,1,0,0,0,0|3,0,0]=4 4164 B13R1.153 CCCCN(C)CCc1c[nH]cn1 269982a_100000207549_100020628418 [0,1,0,0,0,0|3,0,0]=4 4165 B13R1.153 CCCCN(C)CCc1cccs1 2230a_100000207549_100000748579 [0,1,0,0,0,0|1,1,0]=3 4166 B13R1.153 CCCCN(C)CCc1cccs1 269982a_100000207549_100000748579 [0,1,0,0,0,0|1,1,0]=3 4167 B13R1.153 CCCCN(C)CCn1cccc1 2230a_100000207549_200009811947 [0,1,0,0,0,0|3,0,0]=4 4168 B13R1.153 CCCCN(C)CCn1cccc1 269982a_100000207549_200000035178 [0,1,0,0,0,0|3,0,0]=4 4169 B13R1.153 CCCCN(C)CCn1cccn1 2230a_100000207549_100000685285 [0,1,0,0,0,0|3,0,0]=4 4170 B13R1.153 CCCCN(C)CCn1cccn1 269982a_100000207549_100000685285 [0,1,0,0,0,0|3,0,0]=4 4171 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 11a_100020643023_200011998680 [0,1,0,0,0,0|2,0,1]=4 4172 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 240690a_100020643023_200011998680 [0,1,0,0,0,0|2,0,1]=4 4173 B13R1.153 CCCNC(=O)CCc1ccc[nH]1 527a_100020643023_200011998680 [0,1,0,0,0,0|2,0,1]=4 4174 B13R1.153 CCCNC(=O)CCc1ccco1 11a_100020643023_100000185103 [0,1,0,0,0,0|1,0,1]=3 4175 B13R1.153 CCCNC(=O)CCc1ccco1 1626a_100020643023_100000185103 [0,1,0,0,0,0|1,0,1]=3 4176 B13R1.153 CCCNC(=O)CCc1ccco1 527a_100020643023_100000185103 [0,1,0,0,0,0|1,0,1]=3 4177 B13R1.153 CCCNC(=O)CCc1cccs1 11a_100020643023_100000185280 [0,1,0,0,0,0|1,1,1]=4 4178 B13R1.153 CCCNC(=O)CCc1cccs1 1626a_100020643023_100000185280 [0,1,0,0,0,0|1,1,1]=4 4179 B13R1.153 CCCNC(=O)CCc1cccs1 240690a_100020643023_100000185280 [0,1,0,0,0,0|1,1,1]=4 4180 B13R1.153 CCCNC(=O)CCc1cccs1 527a_100020643023_100000185280 [0,1,0,0,0,0|1,1,1]=4 4181 B13R1.153 CCCNC(=O)CSc1ccco1 62a_100000183358_100009814098 [0,1,0,0,0,0|2,0,1]=4 4182 B13R1.153 CCCNC(=O)CSc1ccco1 62a_100009814098_100000183358 [0,1,0,0,0,0|2,0,1]=4 4183 B13R1.153 CCCNC(=O)NCc1ccco1 2708a_100000185738_100020643023 [0,1,0,0,0,0|2,0,1]=4 4184 B13R1.153 CCCNC(=O)NCc1ccco1 2708a_100020643023_100000185738 [0,1,0,0,0,0|2,0,1]=4 4185 B13R1.153 CCCNC(=O)NCc1ccco1 273464a_100000185738_100020643023 [0,1,0,0,0,0|2,0,1]=4 4186 B13R1.153 CCCNC(=O)NCc1ccco1 512a_100000185738_100020643023 [0,1,0,0,0,0|2,0,1]=4 4187 B13R1.153 CCCNC(=O)NCc1ccco1 512a_100020643023_100000185738 [0,1,0,0,0,0|2,0,1]=4 4188 B13R1.153 CCCNC(C)CCc1ccco1 2230a_100000199034_100000210303 [0,1,0,0,0,0|1,0,0]=2 4189 B13R1.153 CCCNC(C)CCc1ccco1 34a_100000199034_100000210303 [0,1,0,0,0,0|1,0,0]=2 4190 B13R1.153 CCCNC(C)CCn1cccn1 270004a_100020643023_100000697638 [0,1,0,0,0,0|3,0,0]=4 4191 B13R1.153 CCCOC(=O)CSc1ccco1 62a_100009814098_200011215008 [0,1,0,0,0,0|2,0,1]=4 4192 B13R1.153 CCCOC(=O)CSc1ccco1 62a_200011215008_100009814098 [0,1,0,0,0,0|2,0,1]=4 4193 B13R1.153 CCNCC(=O)NCc1ccco1 2230a_100000741066_100000210202 [0,1,0,0,0,0|2,0,1]=4 4194 B13R1.153 CCNCC(=O)NCc1ccco1 2230a_100015525214_100000183421 [0,1,0,0,0,0|2,0,1]=4 4195 B13R1.153 CCNNC(=O)CCc1ccco1 22a_100000756455_100000185103 [0,1,0,0,0,0|2,0,1]=4 4196 B13R1.153 CCOCC(=O)CCc1cccs1 1458a_100000211967_100000748579 [0,1,0,0,0,0|1,1,1]=4 4197 B13R1.153 CCOCC(=O)NCc1ccco1 11a_100000185738_100000211967 [0,1,0,0,0,0|2,0,1]=4 4198 B13R1.153 CCOCC(=O)NCc1ccco1 1626a_100000185738_100000211967 [0,1,0,0,0,0|2,0,1]=4 4199 B13R1.153 CCOCC(=O)NCc1ccco1 240690a_100000185738_100000211967 [0,1,0,0,0,0|2,0,1]=4 4200 B13R1.153 CCOCC(=O)NCc1ccco1 34a_100121572206_100000183421 [0,1,0,0,0,0|2,0,1]=4 4201 B13R1.153 CCOCC(=O)NCc1ccco1 527a_100000185738_100000211967 [0,1,0,0,0,0|2,0,1]=4 4202 B13R1.153 CCOCC(C)OCc1ncco1 34a_100000718985_103436540062 [0,1,0,0,0,0|3,0,0]=4 4203 B13R1.153 CCOCC(C)OCc1ncco1 7a_100000718985_103436540062 [0,1,0,0,0,0|3,0,0]=4 4204 B13R1.153 CCSCC(=O)CCc1cccs1 1458a_100000230394_100000748579 [0,1,0,0,0,0|1,1,1]=4 4205 B13R1.153 CCSCC(=O)NCc1ccco1 11a_100000185738_100000230394 [0,1,0,0,0,0|2,0,1]=4 4206 B13R1.153 CCSCC(=O)NCc1ccco1 1626a_100000185738_100000230394 [0,1,0,0,0,0|2,0,1]=4 4207 B13R1.153 CCSCC(=O)NCc1ccco1 240690a_100000185738_100000230394 [0,1,0,0,0,0|2,0,1]=4 4208 B13R1.153 CCSCC(=O)NCc1ccco1 527a_100000185738_100000230394 [0,1,0,0,0,0|2,0,1]=4 4209 B13R1.153 CCSCC(=O)NCc1ccco1 62a_100000183421_100000210202 [0,1,0,0,0,0|2,0,1]=4 4210 B13R1.153 CCSCC(=O)NCc1ccco1 62a_100000210202_100000183421 [0,1,0,0,0,0|2,0,1]=4 4211 B13R1.153 CCSCC(C)NCc1ccco1 270004a_100000185738_200011216171 [0,1,0,0,0,0|2,0,0]=3 4212 B13R1.153 CCSCC(C)NCc1cccs1 270004a_100000211653_200011216171 [0,1,0,0,0,0|2,1,0]=4 4213 B13R1.153 CCSCC(C)NCc1cnco1 270004a_100020634212_200011216171 [0,1,0,0,0,0|3,0,0]=4 4214 B13R1.153 CN(CCCO)CCc1cccs1 2230a_100000213112_100000748579 [0,1,0,0,0,0|2,1,0]=4 4215 B13R1.153 CN(CCCO)CCc1cccs1 269982a_100000213112_100000748579 [0,1,0,0,0,0|2,1,0]=4 4216 B13R1.153 CNCCC(=O)NCc1ccco1 2230a_106832991635_200011194439 [0,1,0,0,0,0|2,0,1]=4 4217 B13R1.153 COCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000233755 [0,1,0,0,0,0|2,0,1]=4 4218 B13R1.153 COCCC(=O)CCc1ccco1 1458a_100000185103_100000233755 [0,1,0,0,0,0|1,0,1]=3 4219 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000185280_100000233755 [0,1,0,0,0,0|1,1,1]=4 4220 B13R1.153 COCCC(=O)CCc1cccs1 1458a_100000749529_100000748579 [0,1,0,0,0,0|1,1,1]=4 4221 B13R1.153 COCCC(=O)NCc1ccco1 11a_100000185738_100000749529 [0,1,0,0,0,0|2,0,1]=4 4222 B13R1.153 COCCC(=O)NCc1ccco1 1626a_100000185738_100000749529 [0,1,0,0,0,0|2,0,1]=4 4223 B13R1.153 COCCC(=O)NCc1ccco1 240690a_100000185738_100000749529 [0,1,0,0,0,0|2,0,1]=4 4224 B13R1.153 COCCC(=O)NCc1ccco1 527a_100000185738_100000749529 [0,1,0,0,0,0|2,0,1]=4 4225 B13R1.153 COCCC(C)NCc1ccco1 270004a_100000185738_100000742357 [0,1,0,0,0,0|2,0,0]=3 4226 B13R1.153 COCCC(C)NCc1cccs1 270004a_100000211653_100000742357 [0,1,0,0,0,0|2,1,0]=4 4227 B13R1.153 COCCC(C)NCc1cnco1 270004a_100020634212_100000742357 [0,1,0,0,0,0|3,0,0]=4 4228 B13R1.153 COCCN(C)CCc1cccs1 2230a_100000743101_100000748579 [0,1,0,0,0,0|2,1,0]=4 4229 B13R1.153 COCCN(C)CCc1cccs1 269982a_100000743101_100000748579 [0,1,0,0,0,0|2,1,0]=4 4230 B13R1.153 COCNC(C)CCc1ccco1 2230a_100000199034_100000766300 [0,1,0,0,0,0|2,0,0]=3 4231 B13R1.153 CSCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000751147 [0,1,0,0,0,0|2,0,1]=4 4232 B13R1.153 CSCCC(=O)CCc1ccco1 1458a_100000185103_100000751147 [0,1,0,0,0,0|1,0,1]=3 4233 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000174002_100000748579 [0,1,0,0,0,0|1,1,1]=4 4234 B13R1.153 CSCCC(=O)CCc1cccs1 1458a_100000185280_100000751147 [0,1,0,0,0,0|1,1,1]=4 4235 B13R1.153 CSCCC(=O)NCc1ccco1 11a_100000185738_100000174002 [0,1,0,0,0,0|2,0,1]=4 4236 B13R1.153 CSCCC(=O)NCc1ccco1 1626a_100000185738_100000174002 [0,1,0,0,0,0|2,0,1]=4 4237 B13R1.153 CSCCC(=O)NCc1ccco1 240690a_100000185738_100000174002 [0,1,0,0,0,0|2,0,1]=4 4238 B13R1.153 CSCCC(=O)NCc1ccco1 527a_100000185738_100000174002 [0,1,0,0,0,0|2,0,1]=4 4239 B13R1.153 CSCCC(=O)NCc1ccco1 62a_200000210301_200011194439 [0,1,0,0,0,0|2,0,1]=4 4240 B13R1.153 CSCCC(=O)NCc1ccco1 62a_200011194439_200000210301 [0,1,0,0,0,0|2,0,1]=4 4241 B13R1.153 CSCCC(C)NCc1ccco1 270004a_100000185738_100011217047 [0,1,0,0,0,0|2,0,0]=3 4242 B13R1.153 CSCCC(C)NCc1cccs1 270004a_100000211653_100011217047 [0,1,0,0,0,0|2,1,0]=4 4243 B13R1.153 CSCCC(C)NCc1cnco1 270004a_100020634212_100011217047 [0,1,0,0,0,0|3,0,0]=4 4244 B13R1.153 CSCCN(C)CCc1cccs1 2230a_100000686725_100000748579 [0,1,0,0,0,0|2,1,0]=4 4245 B13R1.153 CSCCN(C)CCc1cccs1 269982a_100000686725_100000748579 [0,1,0,0,0,0|2,1,0]=4 4246 B13R1.153 CSCNC(C)CCc1ccco1 2230a_100000199034_100011218213 [0,1,0,0,0,0|2,0,0]=3 4247 B13R1.153 CSCNC(C)CCc1ccco1 34a_100000199034_100011218213 [0,1,0,0,0,0|2,0,0]=3 4248 B13R1.153 N#CCCC(=O)CCc1ccco1 1458a_100000185103_100011215226 [0,1,0,0,0,0|1,0,2]=4 4249 B13R1.153 O=C(CCCF)CCc1ccc[nH]1 1458a_200011998680_100011934791 [0,1,0,0,0,0|2,0,1]=4 4250 B13R1.153 O=C(CCCF)CCc1ccco1 1458a_100000185103_100011934791 [0,1,0,0,0,0|1,0,1]=3 4251 B13R1.153 O=C(CCCF)CCc1cccs1 1458a_100000185280_100011934791 [0,1,0,0,0,0|1,1,1]=4 4252 B13R1.153 O=C(CCCO)CCc1ccc[nH]1 1458a_200011998680_100011215043 [0,1,0,0,0,0|2,0,1]=4 4253 B13R1.153 O=C(CCCO)CCc1ccco1 1458a_100000185103_100011215043 [0,1,0,0,0,0|1,0,1]=3 4254 B13R1.153 O=C(CCCO)CCc1cccs1 1458a_100000185280_100011215043 [0,1,0,0,0,0|1,1,1]=4 4255 B13R1.153 O=C(CCc1ccco1)NCCF 11a_100000724931_100000185103 [0,1,0,0,0,0|2,0,1]=4 4256 B13R1.153 O=C(CCc1ccco1)NCCF 1626a_100000724931_100000185103 [0,1,0,0,0,0|2,0,1]=4 4257 B13R1.153 O=C(CCc1ccco1)NCCF 527a_100000724931_100000185103 [0,1,0,0,0,0|2,0,1]=4 4258 B13R1.153 O=C(CCc1ccco1)NCCO 527a_100000210304_100000185103 [0,1,0,0,0,0|2,0,1]=4 4259 B13R1.153 [13CH3]SCCC(=O)NCc1ccco1 62a_200011194439_200025704644 [0,1,0,0,0,0|2,0,1]=4 4260 B13R1.153 [13CH3]SCCC(=O)NCc1ccco1 62a_200025704644_200011194439 [0,1,0,0,0,0|2,0,1]=4 4261 B13R1.156 C#CCCCC(=O)Cc1ccco1 1458a_100011217309_100000731252 [0,1,0,0,0,0|0,0,3]=4 4262 B13R1.156 C#CCCCN(C)Cc1ccco1 2230a_100000185268_100000731252 [0,1,0,0,0,0|1,0,2]=4 4263 B13R1.156 C#CCCCN(C)Cc1ccco1 269982a_100000185268_100011215417 [0,1,0,0,0,0|1,0,2]=4 4264 B13R1.156 C#CCCOC(C)Cc1ccco1 34a_100011803939_100000688953 [0,1,0,0,0,0|1,0,2]=4 4265 B13R1.156 C#CCCOC(C)Cc1ccco1 7a_100011803939_100000688953 [0,1,0,0,0,0|1,0,2]=4 4266 B13R1.156 C/C=C/COC(C)Cc1ccco1 34a_100011803939_100102629194 [0,1,0,0,0,0|1,0,2]=4 4267 B13R1.156 C/C=C/COC(C)Cc1ccco1 7a_100011803939_100102629194 [0,1,0,0,0,0|1,0,2]=4 4268 B13R1.156 C=CCCCC(=O)Cc1ccco1 1458a_100011217309_100000757094 [0,1,0,0,0,0|0,0,3]=4 4269 B13R1.156 C=CCCCN(C)Cc1ccco1 2230a_100000185268_100011713584 [0,1,0,0,0,0|1,0,2]=4 4270 B13R1.156 C=CCCCN(C)Cc1ccco1 269982a_100000185268_100000757094 [0,1,0,0,0,0|1,0,2]=4 4271 B13R1.156 C=CCCNC(C)Cc1ccco1 270004a_100015191253_100011216958 [0,1,0,0,0,0|1,0,2]=4 4272 B13R1.156 C=CCCOC(C)Cc1ccco1 34a_100011803939_100000754431 [0,1,0,0,0,0|1,0,2]=4 4273 B13R1.156 C=CCCOC(C)Cc1ccco1 7a_100011803939_100000754431 [0,1,0,0,0,0|1,0,2]=4 4274 B13R1.156 CC#CCOC(C)Cc1ccco1 34a_100011803939_100000748600 [0,1,0,0,0,0|1,0,2]=4 4275 B13R1.156 CC#CCOC(C)Cc1ccco1 7a_100011803939_100000748600 [0,1,0,0,0,0|1,0,2]=4 4276 B13R1.156 CC(Cc1ccco1)NCCC#N 270004a_100000720768_100011216958 [0,1,0,0,0,0|2,0,1]=4 4277 B13R1.156 CC(Cc1ccco1)NCCCF 270004a_100015189416_100011216958 [0,1,0,0,0,0|2,0,0]=3 4278 B13R1.156 CC(Cc1ccco1)NCCCO 270004a_100000182051_100011216958 [0,1,0,0,0,0|2,0,0]=3 4279 B13R1.156 CC(Cc1ccco1)OCCC#N 7a_100011803939_100000184422 [0,1,0,0,0,0|2,0,1]=4 4280 B13R1.156 CC(Cc1ccco1)OCCCF 34a_100011803939_100011934791 [0,1,0,0,0,0|2,0,0]=3 4281 B13R1.156 CC(Cc1ccco1)OCCCF 7a_100011803939_100011934791 [0,1,0,0,0,0|2,0,0]=3 4282 B13R1.156 CC(Cc1ccco1)OCCCO 34a_100011803939_100000230001 [0,1,0,0,0,0|2,0,0]=3 4283 B13R1.156 CC(Cc1ccco1)OCCCO 7a_100011803939_100011215043 [0,1,0,0,0,0|2,0,0]=3 4284 B13R1.156 CC(Cc1cccs1)NCCCF 2230a_100000751415_100011934791 [0,1,0,0,0,0|2,1,0]=4 4285 B13R1.156 CC(Cc1cccs1)NCCCO 2230a_100000751415_100000230001 [0,1,0,0,0,0|2,1,0]=4 4286 B13R1.156 CC/C=C\CC(=O)Cc1ccco1 1458a_100011217309_100103147603 [0,1,0,0,0,0|0,0,3]=4 4287 B13R1.156 CC/C=C\CN(C)Cc1ccco1 2230a_100000185268_100103147603 [0,1,0,0,0,0|1,0,2]=4 4288 B13R1.156 CC/C=C\CN(C)Cc1ccco1 269982a_100000185268_100103147603 [0,1,0,0,0,0|1,0,2]=4 4289 B13R1.156 CC=CCOC(C)Cc1ccco1 34a_100011803939_100000070051 [0,1,0,0,0,0|1,0,2]=4 4290 B13R1.156 CC=CCOC(C)Cc1ccco1 7a_100011803939_100000070051 [0,1,0,0,0,0|1,0,2]=4 4291 B13R1.156 CCC#CCC(=O)Cc1ccco1 1458a_100011217309_100009813939 [0,1,0,0,0,0|0,0,3]=4 4292 B13R1.156 CCC#CCN(C)Cc1ccco1 2230a_100000185268_100009813939 [0,1,0,0,0,0|1,0,2]=4 4293 B13R1.156 CCCCCC(=O)Cc1c[nH]cn1 1458a_100000212188_100000707719 [0,1,0,0,0,0|2,0,1]=4 4294 B13R1.156 CCCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210326 [0,1,0,0,0,0|2,0,1]=4 4295 B13R1.156 CCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210326 [0,1,0,0,0,0|1,0,1]=3 4296 B13R1.156 CCCCCC(=O)Cc1ccco1 1458a_100011217309_100000210326 [0,1,0,0,0,0|0,0,1]=2 4297 B13R1.156 CCCCCC(=O)Cc1cccs1 1458a_100000210189_100000210326 [0,1,0,0,0,0|0,1,1]=3 4298 B13R1.156 CCCCCC(=O)Cc1ccn[nH]1 1458a_100000212188_100000728653 [0,1,0,0,0,0|2,0,1]=4 4299 B13R1.156 CCCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210326 [0,1,0,0,0,0|2,0,1]=4 4300 B13R1.156 CCCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210326 [0,1,0,0,0,0|2,0,1]=4 4301 B13R1.156 CCCCCC(=O)Cc1ccon1 1458a_100000212188_100000234950 [0,1,0,0,0,0|2,0,1]=4 4302 B13R1.156 CCCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210326 [0,1,0,0,0,0|2,0,1]=4 4303 B13R1.156 CCCCCC(=O)Cc1ccsc1 1458a_100000212188_100011233845 [0,1,0,0,0,0|2,0,1]=4 4304 B13R1.156 CCCCCC(=O)Cc1cncs1 1458a_100000212188_100015185245 [0,1,0,0,0,0|1,1,1]=4 4305 B13R1.156 CCCCCC(=O)Cc1cscn1 1458a_100000212188_100000205941 [0,1,0,0,0,0|2,0,1]=4 4306 B13R1.156 CCCCCC(=O)Cc1cscn1 1458a_100011438297_100000210326 [0,1,0,0,0,0|2,0,1]=4 4307 B13R1.156 CCCCCC(=O)Cc1ncco1 1458a_100000212188_103436540062 [0,1,0,0,0,0|1,0,1]=3 4308 B13R1.156 CCCCCC(=O)Cc1nccs1 1458a_100000212188_100015184050 [0,1,0,0,0,0|1,1,1]=4 4309 B13R1.156 CCCCCC(=O)Cn1cccc1 1458a_100011196272_100000210326 [0,1,0,0,0,0|2,0,1]=4 4310 B13R1.156 CCCCCC(=O)Cn1cccn1 1458a_100000233772_100000210326 [0,1,0,0,0,0|2,0,1]=4 4311 B13R1.156 CCCCCC(C)Oc1ccsc1 34a_100000106738_200011218191 [0,1,0,0,0,0|3,0,0]=4 4312 B13R1.156 CCCCCC(C)Oc1ccsc1 7a_100000106738_200011218191 [0,1,0,0,0,0|3,0,0]=4 4313 B13R1.156 CCCCCC(C)Sc1c[nH]cn1 62a_100000756875_200011218191 [0,1,0,0,0,0|3,0,0]=4 4314 B13R1.156 CCCCCC(C)Sc1c[nH]cn1 62a_200011218191_100000756875 [0,1,0,0,0,0|3,0,0]=4 4315 B13R1.156 CCCCCC(C)Sc1cc[nH]n1 62a_100000062575_200011218191 [0,1,0,0,0,0|3,0,0]=4 4316 B13R1.156 CCCCCC(C)Sc1cc[nH]n1 62a_200011218191_100000062575 [0,1,0,0,0,0|3,0,0]=4 4317 B13R1.156 CCCCCC(C)Sc1ccco1 62a_100009814098_200011218191 [0,1,0,0,0,0|1,0,0]=2 4318 B13R1.156 CCCCCC(C)Sc1ccco1 62a_200011218191_100009814098 [0,1,0,0,0,0|1,0,0]=2 4319 B13R1.156 CCCCCC(C)Sc1cccs1 62a_100011215356_200011218191 [0,1,0,0,0,0|1,1,0]=3 4320 B13R1.156 CCCCCC(C)Sc1cccs1 62a_200011218191_100011215356 [0,1,0,0,0,0|1,1,0]=3 4321 B13R1.156 CCCCCC(C)Sc1ccoc1 62a_100011215275_200011218191 [0,1,0,0,0,0|3,0,0]=4 4322 B13R1.156 CCCCCC(C)Sc1ccoc1 62a_200011218191_100011215275 [0,1,0,0,0,0|3,0,0]=4 4323 B13R1.156 CCCCCC(C)Sc1ccon1 62a_100009818083_200011218191 [0,1,0,0,0,0|3,0,0]=4 4324 B13R1.156 CCCCCC(C)Sc1ccon1 62a_200011218191_100009818083 [0,1,0,0,0,0|3,0,0]=4 4325 B13R1.156 CCCCCC(C)Sc1ccsc1 62a_100000738268_200011218191 [0,1,0,0,0,0|3,0,0]=4 4326 B13R1.156 CCCCCC(C)Sc1ccsc1 62a_200011218191_100000738268 [0,1,0,0,0,0|3,0,0]=4 4327 B13R1.156 CCCCCC(C)Sc1ccsn1 62a_100009818082_200011218191 [0,1,0,0,0,0|3,0,0]=4 4328 B13R1.156 CCCCCC(C)Sc1ccsn1 62a_200011218191_100009818082 [0,1,0,0,0,0|3,0,0]=4 4329 B13R1.156 CCCCCC(C)Sc1cnco1 62a_100020591547_200011218191 [0,1,0,0,0,0|2,0,0]=3 4330 B13R1.156 CCCCCC(C)Sc1cnco1 62a_200011218191_100020591547 [0,1,0,0,0,0|2,0,0]=3 4331 B13R1.156 CCCCCC(C)Sc1cncs1 62a_100011934649_200011218191 [0,1,0,0,0,0|2,1,0]=4 4332 B13R1.156 CCCCCC(C)Sc1cncs1 62a_200011218191_100011934649 [0,1,0,0,0,0|2,1,0]=4 4333 B13R1.156 CCCCCC(C)Sc1cscn1 62a_100000751502_200011218191 [0,1,0,0,0,0|3,0,0]=4 4334 B13R1.156 CCCCCC(C)Sc1cscn1 62a_200011218191_100000751502 [0,1,0,0,0,0|3,0,0]=4 4335 B13R1.156 CCCCCC(C)Sc1ncc[nH]1 62a_100025796157_200011218191 [0,1,0,0,0,0|3,0,0]=4 4336 B13R1.156 CCCCCC(C)Sc1ncc[nH]1 62a_200011218191_100025796157 [0,1,0,0,0,0|3,0,0]=4 4337 B13R1.156 CCCCCC(C)Sc1ncco1 62a_100011787736_200011218191 [0,1,0,0,0,0|2,0,0]=3 4338 B13R1.156 CCCCCC(C)Sc1ncco1 62a_200011218191_100011787736 [0,1,0,0,0,0|2,0,0]=3 4339 B13R1.156 CCCCCC(C)Sc1nccs1 62a_100000211983_200011218191 [0,1,0,0,0,0|2,1,0]=4 4340 B13R1.156 CCCCCC(C)Sc1nccs1 62a_200011218191_100000211983 [0,1,0,0,0,0|2,1,0]=4 4341 B13R1.156 CCCCCN(C)Cc1c[nH]cn1 2230a_100000223495_100000707719 [0,1,0,0,0,0|3,0,0]=4 4342 B13R1.156 CCCCCN(C)Cc1c[nH]cn1 269982a_100000223495_100000707719 [0,1,0,0,0,0|3,0,0]=4 4343 B13R1.156 CCCCCN(C)Cc1cc[nH]n1 270004a_100000223495_100000738523 [0,1,0,0,0,0|3,0,0]=4 4344 B13R1.156 CCCCCN(C)Cc1ccco1 2230a_100000185268_100000210326 [0,1,0,0,0,0|1,0,0]=2 4345 B13R1.156 CCCCCN(C)Cc1ccco1 269982a_100000185268_100000210215 [0,1,0,0,0,0|1,0,0]=2 4346 B13R1.156 CCCCCN(C)Cc1ccco1 270004a_100000223495_100000186105 [0,1,0,0,0,0|1,0,0]=2 4347 B13R1.156 CCCCCN(C)Cc1cccs1 2230a_100000184426_100000210326 [0,1,0,0,0,0|1,1,0]=3 4348 B13R1.156 CCCCCN(C)Cc1cccs1 269982a_100000184426_100000210215 [0,1,0,0,0,0|1,1,0]=3 4349 B13R1.156 CCCCCN(C)Cc1cccs1 270004a_100000223495_100000209959 [0,1,0,0,0,0|1,1,0]=3 4350 B13R1.156 CCCCCN(C)Cc1ccn[nH]1 2230a_100000223495_100000728653 [0,1,0,0,0,0|3,0,0]=4 4351 B13R1.156 CCCCCN(C)Cc1ccn[nH]1 269982a_100000223495_100000728653 [0,1,0,0,0,0|3,0,0]=4 4352 B13R1.156 CCCCCN(C)Cc1ccoc1 270004a_100000223495_100011215517 [0,1,0,0,0,0|3,0,0]=4 4353 B13R1.156 CCCCCN(C)Cc1ccon1 2230a_100000223495_100000234950 [0,1,0,0,0,0|3,0,0]=4 4354 B13R1.156 CCCCCN(C)Cc1ccon1 2230a_100000757864_100000210326 [0,1,0,0,0,0|3,0,0]=4 4355 B13R1.156 CCCCCN(C)Cc1ccon1 269982a_100000223495_100000234950 [0,1,0,0,0,0|3,0,0]=4 4356 B13R1.156 CCCCCN(C)Cc1ccon1 269982a_100000757864_100000210215 [0,1,0,0,0,0|3,0,0]=4 4357 B13R1.156 CCCCCN(C)Cc1ccsc1 2230a_100000223495_100011261437 [0,1,0,0,0,0|3,0,0]=4 4358 B13R1.156 CCCCCN(C)Cc1ccsc1 2230a_100020654213_100000210326 [0,1,0,0,0,0|3,0,0]=4 4359 B13R1.156 CCCCCN(C)Cc1ccsc1 269982a_100000223495_100011233845 [0,1,0,0,0,0|3,0,0]=4 4360 B13R1.156 CCCCCN(C)Cc1ccsc1 269982a_100020654213_100000210215 [0,1,0,0,0,0|3,0,0]=4 4361 B13R1.156 CCCCCN(C)Cc1ccsc1 270004a_100000223495_100000188534 [0,1,0,0,0,0|3,0,0]=4 4362 B13R1.156 CCCCCN(C)Cc1cnco1 270004a_100000223495_100000064291 [0,1,0,0,0,0|2,0,0]=3 4363 B13R1.156 CCCCCN(C)Cc1cncs1 2230a_100000223495_100015185245 [0,1,0,0,0,0|2,1,0]=4 4364 B13R1.156 CCCCCN(C)Cc1cncs1 269982a_100000223495_100015185245 [0,1,0,0,0,0|2,1,0]=4 4365 B13R1.156 CCCCCN(C)Cc1cncs1 270004a_100000223495_100000749870 [0,1,0,0,0,0|2,1,0]=4 4366 B13R1.156 CCCCCN(C)Cc1cocn1 270004a_100000223495_100000050382 [0,1,0,0,0,0|3,0,0]=4 4367 B13R1.156 CCCCCN(C)Cc1cscn1 2230a_100000223495_100000205941 [0,1,0,0,0,0|3,0,0]=4 4368 B13R1.156 CCCCCN(C)Cc1cscn1 2230a_100000225794_100000210326 [0,1,0,0,0,0|3,0,0]=4 4369 B13R1.156 CCCCCN(C)Cc1cscn1 269982a_100000223495_100000205941 [0,1,0,0,0,0|3,0,0]=4 4370 B13R1.156 CCCCCN(C)Cc1cscn1 269982a_100000225794_100000210215 [0,1,0,0,0,0|3,0,0]=4 4371 B13R1.156 CCCCCN(C)Cc1cscn1 270004a_100000223495_100000743575 [0,1,0,0,0,0|3,0,0]=4 4372 B13R1.156 CCCCCN(C)Cc1ncc[nH]1 2230a_100000223495_100016991755 [0,1,0,0,0,0|3,0,0]=4 4373 B13R1.156 CCCCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210326 [0,1,0,0,0,0|3,0,0]=4 4374 B13R1.156 CCCCCN(C)Cc1ncc[nH]1 269982a_100000223495_100016991755 [0,1,0,0,0,0|3,0,0]=4 4375 B13R1.156 CCCCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210215 [0,1,0,0,0,0|3,0,0]=4 4376 B13R1.156 CCCCCN(C)Cc1ncco1 2230a_100000223495_103436540062 [0,1,0,0,0,0|2,0,0]=3 4377 B13R1.156 CCCCCN(C)Cc1ncco1 269982a_100000223495_103436540062 [0,1,0,0,0,0|2,0,0]=3 4378 B13R1.156 CCCCCN(C)Cc1ncco1 270004a_100000223495_100000064290 [0,1,0,0,0,0|2,0,0]=3 4379 B13R1.156 CCCCCN(C)Cc1nccs1 2230a_100000223495_100015184050 [0,1,0,0,0,0|2,1,0]=4 4380 B13R1.156 CCCCCN(C)Cc1nccs1 2230a_100000765864_100000210326 [0,1,0,0,0,0|2,1,0]=4 4381 B13R1.156 CCCCCN(C)Cc1nccs1 269982a_100000223495_100015184050 [0,1,0,0,0,0|2,1,0]=4 4382 B13R1.156 CCCCCN(C)Cc1nccs1 269982a_100000765864_100000210215 [0,1,0,0,0,0|2,1,0]=4 4383 B13R1.156 CCCCCN(C)Cc1nccs1 270004a_100000223495_100000750902 [0,1,0,0,0,0|2,1,0]=4 4384 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 11a_100000102301_100000238377 [0,1,0,0,0,0|2,0,1]=4 4385 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 240690a_100000102301_100000238377 [0,1,0,0,0,0|2,0,1]=4 4386 B13R1.156 CCCCNC(=O)Cc1ccc[nH]1 527a_100000102301_100000238377 [0,1,0,0,0,0|2,0,1]=4 4387 B13R1.156 CCCCNC(=O)Cc1ccco1 11a_100000102301_100011217309 [0,1,0,0,0,0|1,0,1]=3 4388 B13R1.156 CCCCNC(=O)Cc1ccco1 527a_100000102301_100011217309 [0,1,0,0,0,0|1,0,1]=3 4389 B13R1.156 CCCCNC(=O)Cc1cccs1 11a_100000102301_100000210189 [0,1,0,0,0,0|1,1,1]=4 4390 B13R1.156 CCCCNC(=O)Cc1cccs1 1626a_100000102301_100000210189 [0,1,0,0,0,0|1,1,1]=4 4391 B13R1.156 CCCCNC(=O)Cc1cccs1 240690a_100000102301_100000210189 [0,1,0,0,0,0|1,1,1]=4 4392 B13R1.156 CCCCNC(C)Cc1ccco1 270004a_100000102301_100011216958 [0,1,0,0,0,0|1,0,0]=2 4393 B13R1.156 CCCCNC(C)Cc1cccs1 2230a_100000751415_100000210211 [0,1,0,0,0,0|1,1,0]=3 4394 B13R1.156 CCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210211 [0,1,0,0,0,0|3,0,0]=4 4395 B13R1.156 CCCCNC(C)Cc1ccsc1 34a_100000743546_100000210210 [0,1,0,0,0,0|3,0,0]=4 4396 B13R1.156 CCCCNC(C)Cn1cccn1 2230a_100000738251_100000210211 [0,1,0,0,0,0|3,0,0]=4 4397 B13R1.156 CCCCOC(C)Cc1ccco1 34a_100011803939_100000210210 [0,1,0,0,0,0|1,0,0]=2 4398 B13R1.156 CCCCOC(C)Cc1ccco1 7a_100011803939_100000210211 [0,1,0,0,0,0|1,0,0]=2 4399 B13R1.156 CCCNNC(=O)Cc1ccco1 22a_100000740057_100011217309 [0,1,0,0,0,0|2,0,1]=4 4400 B13R1.156 CCCOCC(=O)Cc1ncco1 1458a_100000745993_103436540062 [0,1,0,0,0,0|2,0,1]=4 4401 B13R1.156 CCCOCC(C)Cn1cccn1 34a_100011934653_100000210303 [0,1,0,0,0,0|3,0,0]=4 4402 B13R1.156 CCCSCC(=O)Cc1ncco1 1458a_100000217233_103436540062 [0,1,0,0,0,0|2,0,1]=4 4403 B13R1.156 CCOCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215890 [0,1,0,0,0,0|2,0,1]=4 4404 B13R1.156 CCOCCC(=O)Cc1ccco1 1458a_100011217309_100011215890 [0,1,0,0,0,0|1,0,1]=3 4405 B13R1.156 CCOCCC(=O)Cc1cccs1 1458a_100000210189_100011215890 [0,1,0,0,0,0|1,1,1]=4 4406 B13R1.156 CCOCCC(=O)Cc1ncco1 1458a_100000749530_103436540062 [0,1,0,0,0,0|2,0,1]=4 4407 B13R1.156 CCOCCN(C)Cc1ccco1 2230a_100000185268_100011215890 [0,1,0,0,0,0|2,0,0]=3 4408 B13R1.156 CCOCCN(C)Cc1ccco1 269982a_100000185268_100011215890 [0,1,0,0,0,0|2,0,0]=3 4409 B13R1.156 CCOCCN(C)Cc1cccs1 2230a_100000184426_100011215890 [0,1,0,0,0,0|2,1,0]=4 4410 B13R1.156 CCOCCN(C)Cc1cccs1 269982a_100000184426_100011215890 [0,1,0,0,0,0|2,1,0]=4 4411 B13R1.156 CCSCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000757381 [0,1,0,0,0,0|2,0,1]=4 4412 B13R1.156 CCSCCC(=O)Cc1ccco1 1458a_100011217309_100000757381 [0,1,0,0,0,0|1,0,1]=3 4413 B13R1.156 CCSCCC(=O)Cc1cccs1 1458a_100000210189_100000757381 [0,1,0,0,0,0|1,1,1]=4 4414 B13R1.156 CCSCCC(=O)Cc1ncco1 1458a_100000230768_103436540062 [0,1,0,0,0,0|2,0,1]=4 4415 B13R1.156 CCSCCN(C)Cc1ccco1 2230a_100000185268_100000757381 [0,1,0,0,0,0|2,0,0]=3 4416 B13R1.156 CCSCCN(C)Cc1ccco1 269982a_100000185268_100000757381 [0,1,0,0,0,0|2,0,0]=3 4417 B13R1.156 CCSCCN(C)Cc1cccs1 2230a_100000184426_100000757381 [0,1,0,0,0,0|2,1,0]=4 4418 B13R1.156 CCSCCN(C)Cc1cccs1 269982a_100000184426_100000757381 [0,1,0,0,0,0|2,1,0]=4 4419 B13R1.156 CN(CCCC#N)Cc1ccco1 2230a_100000185268_100000687738 [0,1,0,0,0,0|2,0,1]=4 4420 B13R1.156 CN(CCCC#N)Cc1ccco1 269982a_100000185268_100000687738 [0,1,0,0,0,0|2,0,1]=4 4421 B13R1.156 CN(CCCC=O)Cc1ccco1 2230a_100000185268_200011292268 [0,1,0,0,0,0|2,0,1]=4 4422 B13R1.156 CN(CCCC=O)Cc1ccco1 269982a_100000185268_200011292268 [0,1,0,0,0,0|2,0,1]=4 4423 B13R1.156 CN(CCCCF)Cc1ccco1 2230a_100000185268_100000729493 [0,1,0,0,0,0|2,0,0]=3 4424 B13R1.156 CN(CCCCF)Cc1ccco1 269982a_100000185268_100000729493 [0,1,0,0,0,0|2,0,0]=3 4425 B13R1.156 CN(CCCCF)Cc1cccs1 2230a_100000184426_100000729493 [0,1,0,0,0,0|2,1,0]=4 4426 B13R1.156 CN(CCCCF)Cc1cccs1 269982a_100000184426_100000729493 [0,1,0,0,0,0|2,1,0]=4 4427 B13R1.156 CN(CCCCO)Cc1ccco1 2230a_100000185268_100000210776 [0,1,0,0,0,0|2,0,0]=3 4428 B13R1.156 CN(CCCCO)Cc1ccco1 269982a_100000185268_100000210776 [0,1,0,0,0,0|2,0,0]=3 4429 B13R1.156 CN(CCCCO)Cc1ccco1 270004a_100000717598_100000186105 [0,1,0,0,0,0|2,0,0]=3 4430 B13R1.156 CN(CCCCO)Cc1cccs1 2230a_100000184426_100000210776 [0,1,0,0,0,0|2,1,0]=4 4431 B13R1.156 CN(CCCCO)Cc1cccs1 269982a_100000184426_100000210776 [0,1,0,0,0,0|2,1,0]=4 4432 B13R1.156 CN(CCCCO)Cc1cccs1 270004a_100000717598_100000209959 [0,1,0,0,0,0|2,1,0]=4 4433 B13R1.156 CN(CCCCO)Cc1cnco1 270004a_100000717598_100000064291 [0,1,0,0,0,0|3,0,0]=4 4434 B13R1.156 CN(CCCCO)Cc1ncco1 2230a_100000717598_103436540062 [0,1,0,0,0,0|3,0,0]=4 4435 B13R1.156 CN(CCCCO)Cc1ncco1 269982a_100000717598_103436540062 [0,1,0,0,0,0|3,0,0]=4 4436 B13R1.156 CN(CCCCO)Cc1ncco1 270004a_100000717598_100000064290 [0,1,0,0,0,0|3,0,0]=4 4437 B13R1.156 COCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000740836 [0,1,0,0,0,0|2,0,1]=4 4438 B13R1.156 COCCCC(=O)Cc1ccco1 1458a_100011217309_100000740836 [0,1,0,0,0,0|1,0,1]=3 4439 B13R1.156 COCCCC(=O)Cc1cccs1 1458a_100000210189_100000740836 [0,1,0,0,0,0|1,1,1]=4 4440 B13R1.156 COCCCC(=O)Cc1ncco1 1458a_100000741012_103436540062 [0,1,0,0,0,0|2,0,1]=4 4441 B13R1.156 COCCCN(C)Cc1ccco1 2230a_100000185268_100000740836 [0,1,0,0,0,0|2,0,0]=3 4442 B13R1.156 COCCCN(C)Cc1ccco1 269982a_100000185268_100000740836 [0,1,0,0,0,0|2,0,0]=3 4443 B13R1.156 COCCCN(C)Cc1ccco1 270004a_100000224831_100000186105 [0,1,0,0,0,0|2,0,0]=3 4444 B13R1.156 COCCCN(C)Cc1cccs1 2230a_100000184426_100000740836 [0,1,0,0,0,0|2,1,0]=4 4445 B13R1.156 COCCCN(C)Cc1cccs1 269982a_100000184426_100000740836 [0,1,0,0,0,0|2,1,0]=4 4446 B13R1.156 COCCCN(C)Cc1cccs1 270004a_100000224831_100000209959 [0,1,0,0,0,0|2,1,0]=4 4447 B13R1.156 COCCCN(C)Cc1cnco1 270004a_100000224831_100000064291 [0,1,0,0,0,0|3,0,0]=4 4448 B13R1.156 COCCCN(C)Cc1ncco1 2230a_100000224831_103436540062 [0,1,0,0,0,0|3,0,0]=4 4449 B13R1.156 COCCCN(C)Cc1ncco1 269982a_100000224831_103436540062 [0,1,0,0,0,0|3,0,0]=4 4450 B13R1.156 COCCCN(C)Cc1ncco1 270004a_100000224831_100000064290 [0,1,0,0,0,0|3,0,0]=4 4451 B13R1.156 COCCNC(=O)Cc1ccco1 527a_100000209980_100011217309 [0,1,0,0,0,0|2,0,1]=4 4452 B13R1.156 COCCNC(C)Cc1ccco1 270004a_100000209980_100011216958 [0,1,0,0,0,0|2,0,0]=3 4453 B13R1.156 COCCNC(C)Cc1cccs1 2230a_100000751415_100011201679 [0,1,0,0,0,0|2,1,0]=4 4454 B13R1.156 COCCOC(C)Cc1ccco1 34a_100011803939_100011201679 [0,1,0,0,0,0|2,0,0]=3 4455 B13R1.156 COCCOC(C)Cc1ccco1 7a_100011803939_100000233755 [0,1,0,0,0,0|2,0,0]=3 4456 B13R1.156 CSCCCC(=O)Cc1ncco1 1458a_100000173376_103436540062 [0,1,0,0,0,0|2,0,1]=4 4457 B13R1.156 CSCCNC(=O)Cc1ccco1 11a_100020590264_100011217309 [0,1,0,0,0,0|2,0,1]=4 4458 B13R1.156 CSCCNC(=O)Cc1ccco1 527a_100020590264_100011217309 [0,1,0,0,0,0|2,0,1]=4 4459 B13R1.156 CSCCNC(C)Cc1ccco1 270004a_100020590264_100011216958 [0,1,0,0,0,0|2,0,0]=3 4460 B13R1.156 CSCCNC(C)Cc1cccs1 2230a_100000751415_100000751147 [0,1,0,0,0,0|2,1,0]=4 4461 B13R1.156 CSCCOC(C)Cc1ccco1 34a_100011803939_100000212216 [0,1,0,0,0,0|2,0,0]=3 4462 B13R1.156 CSCCOC(C)Cc1ccco1 7a_100011803939_100000212216 [0,1,0,0,0,0|2,0,0]=3 4463 B13R1.156 N#CCCCC(=O)Cc1ccco1 1458a_100011217309_100000211468 [0,1,0,0,0,0|1,0,2]=4 4464 B13R1.156 O=C(CCCCF)Cc1ccc[nH]1 1458a_100000238377_100000729493 [0,1,0,0,0,0|2,0,1]=4 4465 B13R1.156 O=C(CCCCF)Cc1ccco1 1458a_100011217309_100000729493 [0,1,0,0,0,0|1,0,1]=3 4466 B13R1.156 O=C(CCCCF)Cc1cccs1 1458a_100000210189_100000729493 [0,1,0,0,0,0|1,1,1]=4 4467 B13R1.156 O=C(CCCCO)Cc1ccc[nH]1 1458a_100000238377_100000210776 [0,1,0,0,0,0|2,0,1]=4 4468 B13R1.156 O=C(CCCCO)Cc1ccco1 1458a_100011217309_100000210776 [0,1,0,0,0,0|1,0,1]=3 4469 B13R1.156 O=C(CCCCO)Cc1cccs1 1458a_100000210189_100000210776 [0,1,0,0,0,0|1,1,1]=4 4470 B13R1.156 O=C(CCCCO)Cc1ncco1 1458a_100000695505_103436540062 [0,1,0,0,0,0|2,0,1]=4 4471 B13R1.156 O=C(Cc1ccco1)NCCCF 11a_100015189416_100011217309 [0,1,0,0,0,0|2,0,1]=4 4472 B13R1.156 O=C(Cc1ccco1)NCCCF 527a_100015189416_100011217309 [0,1,0,0,0,0|2,0,1]=4 4473 B13R1.156 O=C(Cc1ccco1)NCCCO 527a_100000182051_100011217309 [0,1,0,0,0,0|2,0,1]=4 4474 B13R1.343 C=C(C)CCNCCc1ccco1 2230a_100000694680_100000730704 [0,1,0,0,0,0|1,0,1]=3 4475 B13R1.343 C=C(C)CCNCCc1ccco1 34a_100000694680_100000730704 [0,1,0,0,0,0|1,0,1]=3 4476 B13R1.343 C=C(C)CCNCCc1cccs1 2230a_100000203755_100000730704 [0,1,0,0,0,0|1,1,1]=4 4477 B13R1.343 C=C(C)CCNCCc1cccs1 34a_100000203755_100000730704 [0,1,0,0,0,0|1,1,1]=4 4478 B13R1.343 C=C(C)CCOCCc1cccs1 34a_100000764851_100000748579 [0,1,0,0,0,0|1,1,1]=4 4479 B13R1.343 C=C(C)CCOCCc1cccs1 34a_100011216825_100000730704 [0,1,0,0,0,0|1,1,1]=4 4480 B13R1.343 C=C(C)CCOCCc1cccs1 7a_100011216825_100000730704 [0,1,0,0,0,0|1,1,1]=4 4481 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000730704_100000748579 [0,1,0,0,0,0|1,1,1]=4 4482 B13R1.343 C=C(C)CCSCCc1cccs1 62a_100000748579_100000730704 [0,1,0,0,0,0|1,1,1]=4 4483 B13R1.343 C=C(C)COCCCc1cccs1 34a_100000210245_100010992444 [0,1,0,0,0,0|1,1,1]=4 4484 B13R1.343 C=C(C)COCCCc1cccs1 34a_100011713143_100000748629 [0,1,0,0,0,0|1,1,1]=4 4485 B13R1.343 C=C(C)COCCCc1cccs1 7a_100011713143_100000748629 [0,1,0,0,0,0|1,1,1]=4 4486 B13R1.343 C=C(C)CSCCCc1cccs1 62a_100000748629_100010992444 [0,1,0,0,0,0|1,1,1]=4 4487 B13R1.343 C=C(C)CSCCCc1cccs1 62a_100010992444_100000211660 [0,1,0,0,0,0|1,1,1]=4 4488 B13R1.343 CC(=CCCNCc1ccco1)C 2230a_100000185738_100011217483 [0,1,0,0,0,0|1,0,2]=4 4489 B13R1.343 CC(=CCCNCc1ccco1)C 34a_100000185738_100011217483 [0,1,0,0,0,0|1,0,2]=4 4490 B13R1.343 CC(=CCCOCc1ccco1)C 34a_100000210059_100011217483 [0,1,0,0,0,0|1,0,2]=4 4491 B13R1.343 CC(=CCNCCc1ccco1)C 2230a_100000694680_100000761012 [0,1,0,0,0,0|1,0,2]=4 4492 B13R1.343 CC(=CCNCCc1ccco1)C 34a_100000694680_100000761012 [0,1,0,0,0,0|1,0,2]=4 4493 B13R1.343 CC(=O)CCCCSc1ccco1 62a_100000735457_100009814098 [0,1,0,0,0,0|1,0,1]=3 4494 B13R1.343 CC(=O)CCCCSc1ccco1 62a_100009814098_100000735457 [0,1,0,0,0,0|1,0,1]=3 4495 B13R1.343 CC(=O)CCCCSc1cccs1 62a_100000735457_100011215356 [0,1,0,0,0,0|1,1,1]=4 4496 B13R1.343 CC(=O)CCCCSc1cccs1 62a_100011215356_100000735457 [0,1,0,0,0,0|1,1,1]=4 4497 B13R1.343 CC(=O)CCCCSc1cnco1 62a_100000735457_100020591547 [0,1,0,0,0,0|2,0,1]=4 4498 B13R1.343 CC(=O)CCCCSc1cnco1 62a_100020591547_100000735457 [0,1,0,0,0,0|2,0,1]=4 4499 B13R1.343 CC(=O)CCCCSc1ncco1 62a_100000735457_100011787736 [0,1,0,0,0,0|2,0,1]=4 4500 B13R1.343 CC(=O)CCCCSc1ncco1 62a_100011787736_100000735457 [0,1,0,0,0,0|2,0,1]=4 4501 B13R1.343 CC(=O)CCCNCc1ccco1 34a_100000185738_100000685027 [0,1,0,0,0,0|1,0,1]=3 4502 B13R1.343 CC(=O)CCCOCc1ccco1 34a_100000210059_100000685027 [0,1,0,0,0,0|1,0,1]=3 4503 B13R1.343 CC(=O)CCCOCc1cccs1 34a_100000211240_100000685027 [0,1,0,0,0,0|1,1,1]=4 4504 B13R1.343 CC(=O)CCCOCc1ccno1 34a_100000740478_100000685027 [0,1,0,0,0,0|2,0,1]=4 4505 B13R1.343 CC(=O)CCCOCc1ncco1 34a_100000062594_100000685027 [0,1,0,0,0,0|2,0,1]=4 4506 B13R1.343 CC(=O)CCCOCc1ncco1 34a_100000759063_103436540062 [0,1,0,0,0,0|2,0,1]=4 4507 B13R1.343 CC(=O)CCCOCc1ncco1 7a_100000759063_103436540062 [0,1,0,0,0,0|2,0,1]=4 4508 B13R1.343 CC(=O)CCCSCc1ncco1 62a_100011215641_103436540062 [0,1,0,0,0,0|2,0,1]=4 4509 B13R1.343 CC(=O)CCCSCc1ncco1 62a_103436540062_100011215641 [0,1,0,0,0,0|2,0,1]=4 4510 B13R1.343 CC(=O)CCOCCc1cccs1 34a_100000759926_100000748579 [0,1,0,0,0,0|1,1,1]=4 4511 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100000759926_100000748579 [0,1,0,0,0,0|1,1,1]=4 4512 B13R1.343 CC(=O)CCOCCc1cccs1 7a_100011216825_100000053229 [0,1,0,0,0,0|1,1,1]=4 4513 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000053229_100000748579 [0,1,0,0,0,0|1,1,1]=4 4514 B13R1.343 CC(=O)CCSCCc1cccs1 62a_100000748579_100000053229 [0,1,0,0,0,0|1,1,1]=4 4515 B13R1.343 CC(=O)COCCCc1cccs1 34a_100000211253_100010992444 [0,1,0,0,0,0|1,1,1]=4 4516 B13R1.343 CC(=O)NCCNCc1ccco1 207a_100000209853_100000186105 [0,1,0,0,0,0|2,0,1]=4 4517 B13R1.343 CC(=O)NCCNCc1ccco1 2230a_100000185738_100000189650 [0,1,0,0,0,0|2,0,1]=4 4518 B13R1.343 CC(=O)NCCSCc1ccco1 11a_100000184675_100015343762 [0,1,0,0,0,0|2,0,1]=4 4519 B13R1.343 CC(=O)NCCSCc1ccco1 240690a_100000184675_100015343762 [0,1,0,0,0,0|2,0,1]=4 4520 B13R1.343 CC(=O)NCCSCc1ccco1 527a_100000184675_100103153847 [0,1,0,0,0,0|2,0,1]=4 4521 B13R1.343 CC(=O)OCCCSc1ccco1 62a_100000042594_100009814098 [0,1,0,0,0,0|2,0,1]=4 4522 B13R1.343 CC(=O)OCCCSc1ccco1 62a_100009814098_100000042594 [0,1,0,0,0,0|2,0,1]=4 4523 B13R1.343 CC(=O)OCCNCc1ccco1 34a_100000185738_100009814007 [0,1,0,0,0,0|2,0,1]=4 4524 B13R1.343 CC(=O)OCCOCc1ccco1 34a_100000210059_100009814007 [0,1,0,0,0,0|2,0,1]=4 4525 B13R1.343 CC(=O)OCNCCc1ccco1 34a_100000694680_100009813279 [0,1,0,0,0,0|2,0,1]=4 4526 B13R1.343 CC(=O)SCCCSc1ccco1 62a_100000038929_100009814098 [0,1,0,0,0,0|2,0,1]=4 4527 B13R1.343 CC(=O)SCCCSc1ccco1 62a_100009814098_100000038929 [0,1,0,0,0,0|2,0,1]=4 4528 B13R1.343 CC(=S)OCCCSc1ccco1 62a_100009814098_200135323944 [0,1,0,0,0,0|2,0,1]=4 4529 B13R1.343 CC(=S)OCCCSc1ccco1 62a_200135323944_100009814098 [0,1,0,0,0,0|2,0,1]=4 4530 B13R1.343 CC(Br)CCOCCc1cccs1 34a_100009893172_100000748579 [0,1,0,0,0,0|1,1,0]=3 4531 B13R1.343 CC(Br)CCOCCn1cccn1 34a_100009893172_100015204718 [0,1,0,0,0,0|3,0,0]=4 4532 B13R1.343 CC(Br)COCCCc1cccs1 34a_100012180447_100010992444 [0,1,0,0,0,0|1,1,0]=3 4533 B13R1.343 CC(Br)COCCCn1cccc1 34a_100012180447_200009814367 [0,1,0,0,0,0|3,0,0]=4 4534 B13R1.343 CC(C)CCCCCN1CC=CC1 269982a_100015195280_100000210682 [0,1,0,0,0,0|2,0,1]=4 4535 B13R1.343 CC(C)CCCCOc1ccsc1 34a_100000106738_100011216152 [0,1,0,0,0,0|3,0,0]=4 4536 B13R1.343 CC(C)CCCCOc1ccsc1 7a_100000106738_100011216152 [0,1,0,0,0,0|3,0,0]=4 4537 B13R1.343 CC(C)CCCCSc1c[nH]cn1 62a_100000756875_100011216152 [0,1,0,0,0,0|3,0,0]=4 4538 B13R1.343 CC(C)CCCCSc1c[nH]cn1 62a_100011216152_100000756875 [0,1,0,0,0,0|3,0,0]=4 4539 B13R1.343 CC(C)CCCCSc1cc[nH]n1 62a_100000062575_100011216152 [0,1,0,0,0,0|3,0,0]=4 4540 B13R1.343 CC(C)CCCCSc1cc[nH]n1 62a_100011216152_100000062575 [0,1,0,0,0,0|3,0,0]=4 4541 B13R1.343 CC(C)CCCCSc1ccco1 62a_100009814098_100011216152 [0,1,0,0,0,0|1,0,0]=2 4542 B13R1.343 CC(C)CCCCSc1ccco1 62a_100011216152_100009814098 [0,1,0,0,0,0|1,0,0]=2 4543 B13R1.343 CC(C)CCCCSc1cccs1 62a_100011215356_100011216152 [0,1,0,0,0,0|1,1,0]=3 4544 B13R1.343 CC(C)CCCCSc1cccs1 62a_100011216152_100011215356 [0,1,0,0,0,0|1,1,0]=3 4545 B13R1.343 CC(C)CCCCSc1ccoc1 62a_100011215275_100011216152 [0,1,0,0,0,0|3,0,0]=4 4546 B13R1.343 CC(C)CCCCSc1ccoc1 62a_100011216152_100011215275 [0,1,0,0,0,0|3,0,0]=4 4547 B13R1.343 CC(C)CCCCSc1ccon1 62a_100009818083_100011216152 [0,1,0,0,0,0|3,0,0]=4 4548 B13R1.343 CC(C)CCCCSc1ccon1 62a_100011216152_100009818083 [0,1,0,0,0,0|3,0,0]=4 4549 B13R1.343 CC(C)CCCCSc1ccsc1 62a_100000738268_100011216152 [0,1,0,0,0,0|3,0,0]=4 4550 B13R1.343 CC(C)CCCCSc1ccsc1 62a_100011216152_100000738268 [0,1,0,0,0,0|3,0,0]=4 4551 B13R1.343 CC(C)CCCCSc1ccsn1 62a_100009818082_100011216152 [0,1,0,0,0,0|3,0,0]=4 4552 B13R1.343 CC(C)CCCCSc1ccsn1 62a_100011216152_100009818082 [0,1,0,0,0,0|3,0,0]=4 4553 B13R1.343 CC(C)CCCCSc1cnco1 62a_100011216152_100020591547 [0,1,0,0,0,0|2,0,0]=3 4554 B13R1.343 CC(C)CCCCSc1cnco1 62a_100020591547_100011216152 [0,1,0,0,0,0|2,0,0]=3 4555 B13R1.343 CC(C)CCCCSc1cncs1 62a_100011216152_100011934649 [0,1,0,0,0,0|2,1,0]=4 4556 B13R1.343 CC(C)CCCCSc1cncs1 62a_100011934649_100011216152 [0,1,0,0,0,0|2,1,0]=4 4557 B13R1.343 CC(C)CCCCSc1cscn1 62a_100000751502_100011216152 [0,1,0,0,0,0|3,0,0]=4 4558 B13R1.343 CC(C)CCCCSc1cscn1 62a_100011216152_100000751502 [0,1,0,0,0,0|3,0,0]=4 4559 B13R1.343 CC(C)CCCCSc1ncc[nH]1 62a_100011216152_100025796157 [0,1,0,0,0,0|3,0,0]=4 4560 B13R1.343 CC(C)CCCCSc1ncc[nH]1 62a_100025796157_100011216152 [0,1,0,0,0,0|3,0,0]=4 4561 B13R1.343 CC(C)CCCCSc1ncco1 62a_100011216152_100011787736 [0,1,0,0,0,0|2,0,0]=3 4562 B13R1.343 CC(C)CCCCSc1ncco1 62a_100011787736_100011216152 [0,1,0,0,0,0|2,0,0]=3 4563 B13R1.343 CC(C)CCCCSc1nccs1 62a_100000211983_100011216152 [0,1,0,0,0,0|2,1,0]=4 4564 B13R1.343 CC(C)CCCCSc1nccs1 62a_100011216152_100000211983 [0,1,0,0,0,0|2,1,0]=4 4565 B13R1.343 CC(C)CCCNCc1c[nH]cn1 2230a_200000737386_100000707719 [0,1,0,0,0,0|3,0,0]=4 4566 B13R1.343 CC(C)CCCNCc1c[nH]cn1 34a_200000737386_100000707719 [0,1,0,0,0,0|3,0,0]=4 4567 B13R1.343 CC(C)CCCNCc1cc[nH]n1 207a_200000737386_100000738523 [0,1,0,0,0,0|3,0,0]=4 4568 B13R1.343 CC(C)CCCNCc1cc[nH]n1 270004a_200000737386_100000738523 [0,1,0,0,0,0|3,0,0]=4 4569 B13R1.343 CC(C)CCCNCc1ccco1 207a_200000737386_100000186105 [0,1,0,0,0,0|1,0,0]=2 4570 B13R1.343 CC(C)CCCNCc1ccco1 2230a_100000185738_100011214892 [0,1,0,0,0,0|1,0,0]=2 4571 B13R1.343 CC(C)CCCNCc1ccco1 270004a_200000737386_100000186105 [0,1,0,0,0,0|1,0,0]=2 4572 B13R1.343 CC(C)CCCNCc1ccco1 34a_100000185738_100011214892 [0,1,0,0,0,0|1,0,0]=2 4573 B13R1.343 CC(C)CCCNCc1cccs1 207a_200000737386_100000209959 [0,1,0,0,0,0|1,1,0]=3 4574 B13R1.343 CC(C)CCCNCc1cccs1 2230a_100000211653_100011214892 [0,1,0,0,0,0|1,1,0]=3 4575 B13R1.343 CC(C)CCCNCc1cccs1 270004a_200000737386_100000209959 [0,1,0,0,0,0|1,1,0]=3 4576 B13R1.343 CC(C)CCCNCc1ccn[nH]1 2230a_200000737386_100000728653 [0,1,0,0,0,0|3,0,0]=4 4577 B13R1.343 CC(C)CCCNCc1ccn[nH]1 34a_200000737386_100000728653 [0,1,0,0,0,0|3,0,0]=4 4578 B13R1.343 CC(C)CCCNCc1ccoc1 207a_200000737386_100011215517 [0,1,0,0,0,0|3,0,0]=4 4579 B13R1.343 CC(C)CCCNCc1ccoc1 2230a_100015206860_100011214892 [0,1,0,0,0,0|3,0,0]=4 4580 B13R1.343 CC(C)CCCNCc1ccoc1 270004a_200000737386_100011215517 [0,1,0,0,0,0|3,0,0]=4 4581 B13R1.343 CC(C)CCCNCc1ccoc1 34a_100015206860_100011214892 [0,1,0,0,0,0|3,0,0]=4 4582 B13R1.343 CC(C)CCCNCc1ccon1 2230a_200000737386_100000234950 [0,1,0,0,0,0|3,0,0]=4 4583 B13R1.343 CC(C)CCCNCc1ccon1 34a_200000737386_100000234950 [0,1,0,0,0,0|3,0,0]=4 4584 B13R1.343 CC(C)CCCNCc1ccsc1 207a_200000737386_100000188534 [0,1,0,0,0,0|3,0,0]=4 4585 B13R1.343 CC(C)CCCNCc1ccsc1 2230a_100000186416_100011214892 [0,1,0,0,0,0|3,0,0]=4 4586 B13R1.343 CC(C)CCCNCc1ccsc1 2230a_200000737386_100011261437 [0,1,0,0,0,0|3,0,0]=4 4587 B13R1.343 CC(C)CCCNCc1ccsc1 270004a_200000737386_100000188534 [0,1,0,0,0,0|3,0,0]=4 4588 B13R1.343 CC(C)CCCNCc1ccsc1 34a_100000186416_100011214892 [0,1,0,0,0,0|3,0,0]=4 4589 B13R1.343 CC(C)CCCNCc1ccsc1 34a_200000737386_100011261437 [0,1,0,0,0,0|3,0,0]=4 4590 B13R1.343 CC(C)CCCNCc1cnc[nH]1 207a_200000737386_100000742939 [0,1,0,0,0,0|3,0,0]=4 4591 B13R1.343 CC(C)CCCNCc1cnco1 270004a_200000737386_100000064291 [0,1,0,0,0,0|2,0,0]=3 4592 B13R1.343 CC(C)CCCNCc1cncs1 207a_200000737386_100000749870 [0,1,0,0,0,0|2,1,0]=4 4593 B13R1.343 CC(C)CCCNCc1cncs1 2230a_100016987365_100011214892 [0,1,0,0,0,0|2,1,0]=4 4594 B13R1.343 CC(C)CCCNCc1cncs1 2230a_200000737386_100015185245 [0,1,0,0,0,0|2,1,0]=4 4595 B13R1.343 CC(C)CCCNCc1cncs1 270004a_200000737386_100000749870 [0,1,0,0,0,0|2,1,0]=4 4596 B13R1.343 CC(C)CCCNCc1cncs1 34a_200000737386_100015185245 [0,1,0,0,0,0|2,1,0]=4 4597 B13R1.343 CC(C)CCCNCc1cocn1 270004a_200000737386_100000050382 [0,1,0,0,0,0|3,0,0]=4 4598 B13R1.343 CC(C)CCCNCc1cscn1 207a_200000737386_100000743575 [0,1,0,0,0,0|3,0,0]=4 4599 B13R1.343 CC(C)CCCNCc1cscn1 2230a_100015185402_100011214892 [0,1,0,0,0,0|3,0,0]=4 4600 B13R1.343 CC(C)CCCNCc1cscn1 2230a_200000737386_100000205941 [0,1,0,0,0,0|3,0,0]=4 4601 B13R1.343 CC(C)CCCNCc1cscn1 270004a_200000737386_100000743575 [0,1,0,0,0,0|3,0,0]=4 4602 B13R1.343 CC(C)CCCNCc1cscn1 34a_200000737386_100000205941 [0,1,0,0,0,0|3,0,0]=4 4603 B13R1.343 CC(C)CCCNCc1ncc[nH]1 207a_200000737386_100000743867 [0,1,0,0,0,0|3,0,0]=4 4604 B13R1.343 CC(C)CCCNCc1ncc[nH]1 2230a_200000737386_100016991755 [0,1,0,0,0,0|3,0,0]=4 4605 B13R1.343 CC(C)CCCNCc1ncc[nH]1 34a_200000737386_100016991755 [0,1,0,0,0,0|3,0,0]=4 4606 B13R1.343 CC(C)CCCNCc1ncco1 2230a_100016994969_100011214892 [0,1,0,0,0,0|2,0,0]=3 4607 B13R1.343 CC(C)CCCNCc1ncco1 2230a_200000737386_103436540062 [0,1,0,0,0,0|2,0,0]=3 4608 B13R1.343 CC(C)CCCNCc1ncco1 270004a_200000737386_100000064290 [0,1,0,0,0,0|2,0,0]=3 4609 B13R1.343 CC(C)CCCNCc1ncco1 34a_200000737386_103436540062 [0,1,0,0,0,0|2,0,0]=3 4610 B13R1.343 CC(C)CCCNCc1nccs1 207a_200000737386_100000750902 [0,1,0,0,0,0|2,1,0]=4 4611 B13R1.343 CC(C)CCCNCc1nccs1 2230a_100000740555_100011214892 [0,1,0,0,0,0|2,1,0]=4 4612 B13R1.343 CC(C)CCCNCc1nccs1 2230a_200000737386_100015184050 [0,1,0,0,0,0|2,1,0]=4 4613 B13R1.343 CC(C)CCCNCc1nccs1 270004a_200000737386_100000750902 [0,1,0,0,0,0|2,1,0]=4 4614 B13R1.343 CC(C)CCCNCc1nccs1 34a_200000737386_100015184050 [0,1,0,0,0,0|2,1,0]=4 4615 B13R1.343 CC(C)CCCOCc1c[nH]cn1 34a_100000210774_100000707719 [0,1,0,0,0,0|3,0,0]=4 4616 B13R1.343 CC(C)CCCOCc1ccco1 34a_100000210059_100011214892 [0,1,0,0,0,0|1,0,0]=2 4617 B13R1.343 CC(C)CCCOCc1cccs1 34a_100000211240_100011214892 [0,1,0,0,0,0|1,1,0]=3 4618 B13R1.343 CC(C)CCCOCc1ccn[nH]1 34a_100000210774_100000728653 [0,1,0,0,0,0|3,0,0]=4 4619 B13R1.343 CC(C)CCCOCc1ccn[nH]1 7a_100000210774_100000728653 [0,1,0,0,0,0|3,0,0]=4 4620 B13R1.343 CC(C)CCCOCc1ccno1 34a_100000740478_100011214892 [0,1,0,0,0,0|2,0,0]=3 4621 B13R1.343 CC(C)CCCOCc1ccoc1 34a_100011215357_100011214892 [0,1,0,0,0,0|3,0,0]=4 4622 B13R1.343 CC(C)CCCOCc1ccon1 34a_100000210774_100000234950 [0,1,0,0,0,0|3,0,0]=4 4623 B13R1.343 CC(C)CCCOCc1ccon1 7a_100000210774_100000234950 [0,1,0,0,0,0|3,0,0]=4 4624 B13R1.343 CC(C)CCCOCc1ccsc1 34a_100000210774_100011261437 [0,1,0,0,0,0|3,0,0]=4 4625 B13R1.343 CC(C)CCCOCc1ccsc1 34a_100011215551_100011214892 [0,1,0,0,0,0|3,0,0]=4 4626 B13R1.343 CC(C)CCCOCc1ccsc1 7a_100000210774_100011261437 [0,1,0,0,0,0|3,0,0]=4 4627 B13R1.343 CC(C)CCCOCc1cncs1 34a_100000210774_100015185245 [0,1,0,0,0,0|2,1,0]=4 4628 B13R1.343 CC(C)CCCOCc1cncs1 7a_100000210774_100015185245 [0,1,0,0,0,0|2,1,0]=4 4629 B13R1.343 CC(C)CCCOCc1cscn1 34a_100000210774_100000205941 [0,1,0,0,0,0|3,0,0]=4 4630 B13R1.343 CC(C)CCCOCc1cscn1 7a_100000210774_100000205941 [0,1,0,0,0,0|3,0,0]=4 4631 B13R1.343 CC(C)CCCOCc1ncc[nH]1 34a_100000210774_100016991755 [0,1,0,0,0,0|3,0,0]=4 4632 B13R1.343 CC(C)CCCOCc1ncc[nH]1 7a_100000210774_100000753453 [0,1,0,0,0,0|3,0,0]=4 4633 B13R1.343 CC(C)CCCOCc1ncco1 34a_100000062594_100011214892 [0,1,0,0,0,0|2,0,0]=3 4634 B13R1.343 CC(C)CCCOCc1ncco1 34a_100000210774_103436540062 [0,1,0,0,0,0|2,0,0]=3 4635 B13R1.343 CC(C)CCCOCc1ncco1 7a_100000210774_103436540062 [0,1,0,0,0,0|2,0,0]=3 4636 B13R1.343 CC(C)CCCOCc1nccs1 34a_100000210774_100015184050 [0,1,0,0,0,0|2,1,0]=4 4637 B13R1.343 CC(C)CCCOCc1nccs1 7a_100000210774_100015184050 [0,1,0,0,0,0|2,1,0]=4 4638 B13R1.343 CC(C)CCCOCn1cccn1 34a_100000731028_100011214892 [0,1,0,0,0,0|3,0,0]=4 4639 B13R1.343 CC(C)CCCSCc1c[nH]cn1 62a_100000707719_100011214892 [0,1,0,0,0,0|3,0,0]=4 4640 B13R1.343 CC(C)CCCSCc1c[nH]cn1 62a_100011214892_100000707719 [0,1,0,0,0,0|3,0,0]=4 4641 B13R1.343 CC(C)CCCSCc1ccn[nH]1 62a_100000728653_100011214892 [0,1,0,0,0,0|3,0,0]=4 4642 B13R1.343 CC(C)CCCSCc1ccn[nH]1 62a_100011214892_100000728653 [0,1,0,0,0,0|3,0,0]=4 4643 B13R1.343 CC(C)CCCSCc1ccon1 62a_100000234950_100011214892 [0,1,0,0,0,0|3,0,0]=4 4644 B13R1.343 CC(C)CCCSCc1ccon1 62a_100011214892_100000234950 [0,1,0,0,0,0|3,0,0]=4 4645 B13R1.343 CC(C)CCCSCc1ccsc1 62a_100011214892_100011233845 [0,1,0,0,0,0|3,0,0]=4 4646 B13R1.343 CC(C)CCCSCc1ccsc1 62a_100011261437_100011214892 [0,1,0,0,0,0|3,0,0]=4 4647 B13R1.343 CC(C)CCCSCc1cncs1 62a_100011214892_100015185245 [0,1,0,0,0,0|2,1,0]=4 4648 B13R1.343 CC(C)CCCSCc1cncs1 62a_100015185245_100011214892 [0,1,0,0,0,0|2,1,0]=4 4649 B13R1.343 CC(C)CCCSCc1cscn1 62a_100000205941_100011214892 [0,1,0,0,0,0|3,0,0]=4 4650 B13R1.343 CC(C)CCCSCc1cscn1 62a_100011214892_100000205941 [0,1,0,0,0,0|3,0,0]=4 4651 B13R1.343 CC(C)CCCSCc1ncc[nH]1 62a_100011214892_100016991755 [0,1,0,0,0,0|3,0,0]=4 4652 B13R1.343 CC(C)CCCSCc1ncc[nH]1 62a_100016991755_100011214892 [0,1,0,0,0,0|3,0,0]=4 4653 B13R1.343 CC(C)CCCSCc1ncco1 62a_100011214892_103436540062 [0,1,0,0,0,0|2,0,0]=3 4654 B13R1.343 CC(C)CCCSCc1ncco1 62a_103436540062_100011214892 [0,1,0,0,0,0|2,0,0]=3 4655 B13R1.343 CC(C)CCCSCc1nccs1 62a_100011214892_100015184050 [0,1,0,0,0,0|2,1,0]=4 4656 B13R1.343 CC(C)CCCSCc1nccs1 62a_100015184050_100011214892 [0,1,0,0,0,0|2,1,0]=4 4657 B13R1.343 CC(C)CCNCCc1ccco1 2230a_100000694680_100000210312 [0,1,0,0,0,0|1,0,0]=2 4658 B13R1.343 CC(C)CCNCCc1ccco1 269862a_100000694680_100000185833 [0,1,0,0,0,0|1,0,0]=2 4659 B13R1.343 CC(C)CCNCCc1ccco1 34a_100000694680_100000210312 [0,1,0,0,0,0|1,0,0]=2 4660 B13R1.343 CC(C)CCNCCc1cccs1 2230a_100000203755_100000210312 [0,1,0,0,0,0|1,1,0]=3 4661 B13R1.343 CC(C)CCNCCc1cccs1 269862a_100000203755_100000185833 [0,1,0,0,0,0|1,1,0]=3 4662 B13R1.343 CC(C)CCNCCc1cccs1 34a_100000203755_100000210312 [0,1,0,0,0,0|1,1,0]=3 4663 B13R1.343 CC(C)CCNCCc1ccsc1 2230a_100000692642_100000210312 [0,1,0,0,0,0|3,0,0]=4 4664 B13R1.343 CC(C)CCNCCc1ccsc1 269862a_100000692642_100000185833 [0,1,0,0,0,0|3,0,0]=4 4665 B13R1.343 CC(C)CCNCCc1ccsc1 34a_100000692642_100000210312 [0,1,0,0,0,0|3,0,0]=4 4666 B13R1.343 CC(C)CCNCCc1cncs1 2230a_100016991637_100000210312 [0,1,0,0,0,0|2,1,0]=4 4667 B13R1.343 CC(C)CCNCCc1cncs1 269862a_100016991637_100000185833 [0,1,0,0,0,0|2,1,0]=4 4668 B13R1.343 CC(C)CCNCCc1nccs1 2230a_100015186391_100000210312 [0,1,0,0,0,0|2,1,0]=4 4669 B13R1.343 CC(C)CCNCCc1nccs1 269862a_100015186391_100000185833 [0,1,0,0,0,0|2,1,0]=4 4670 B13R1.343 CC(C)CCNCCn1cccc1 269862a_100011368172_100000185833 [0,1,0,0,0,0|3,0,0]=4 4671 B13R1.343 CC(C)CCNCCn1cccc1 34a_100011368172_100000210312 [0,1,0,0,0,0|3,0,0]=4 4672 B13R1.343 CC(C)CCNCCn1cccn1 2230a_100011200920_100000210312 [0,1,0,0,0,0|3,0,0]=4 4673 B13R1.343 CC(C)CCNCCn1cccn1 269862a_100011200920_100000185833 [0,1,0,0,0,0|3,0,0]=4 4674 B13R1.343 CC(C)CCOCCc1c[nH]cn1 7a_100000210254_100020628418 [0,1,0,0,0,0|3,0,0]=4 4675 B13R1.343 CC(C)CCOCCc1cccs1 34a_100000210254_100000748579 [0,1,0,0,0,0|1,1,0]=3 4676 B13R1.343 CC(C)CCOCCc1cccs1 34a_100011216825_100000210312 [0,1,0,0,0,0|1,1,0]=3 4677 B13R1.343 CC(C)CCOCCc1cccs1 7a_100000210254_100000748579 [0,1,0,0,0,0|1,1,0]=3 4678 B13R1.343 CC(C)CCOCCc1cccs1 7a_100011216825_100000210626 [0,1,0,0,0,0|1,1,0]=3 4679 B13R1.343 CC(C)CCOCCc1ccsc1 34a_100000748821_100000210312 [0,1,0,0,0,0|3,0,0]=4 4680 B13R1.343 CC(C)CCOCCc1ncc[nH]1 34a_103549771195_100000210312 [0,1,0,0,0,0|3,0,0]=4 4681 B13R1.343 CC(C)CCOCCn1cccc1 34a_100000179382_100000210312 [0,1,0,0,0,0|3,0,0]=4 4682 B13R1.343 CC(C)CCOCCn1cccc1 7a_100000210254_200000035178 [0,1,0,0,0,0|3,0,0]=4 4683 B13R1.343 CC(C)CCOCCn1cccn1 34a_100000210254_100015204718 [0,1,0,0,0,0|3,0,0]=4 4684 B13R1.343 CC(C)CCOCCn1cccn1 34a_100000743371_100000210312 [0,1,0,0,0,0|3,0,0]=4 4685 B13R1.343 CC(C)CCOCCn1cccn1 7a_100000210254_100000685285 [0,1,0,0,0,0|3,0,0]=4 4686 B13R1.343 CC(C)CCSCCc1c[nH]cn1 62a_100000210312_100020628418 [0,1,0,0,0,0|3,0,0]=4 4687 B13R1.343 CC(C)CCSCCc1c[nH]cn1 62a_100020628418_100000210312 [0,1,0,0,0,0|3,0,0]=4 4688 B13R1.343 CC(C)CCSCCc1cccs1 62a_100000210312_100000748579 [0,1,0,0,0,0|1,1,0]=3 4689 B13R1.343 CC(C)CCSCCc1cccs1 62a_100000748579_100000210312 [0,1,0,0,0,0|1,1,0]=3 4690 B13R1.343 CC(C)CCSCCn1cccc1 62a_100000210312_200000035178 [0,1,0,0,0,0|3,0,0]=4 4691 B13R1.343 CC(C)CCSCCn1cccc1 62a_200009811947_100000210312 [0,1,0,0,0,0|3,0,0]=4 4692 B13R1.343 CC(C)CCSCCn1cccn1 62a_100000210312_100000685285 [0,1,0,0,0,0|3,0,0]=4 4693 B13R1.343 CC(C)CCSCCn1cccn1 62a_100015204718_100000210312 [0,1,0,0,0,0|3,0,0]=4 4694 B13R1.343 CC(C)CNCC=Cc1ccco1 270004a_100000210953_100000185671 [0,1,0,0,0,0|1,0,2]=4 4695 B13R1.343 CC(C)CNCCCc1cccs1 2230a_100000210953_100010992444 [0,1,0,0,0,0|1,1,0]=3 4696 B13R1.343 CC(C)CNCCCc1cccs1 34a_100000210953_100010992444 [0,1,0,0,0,0|1,1,0]=3 4697 B13R1.343 CC(C)CNCCCn1cccc1 2230a_100000210953_200009814367 [0,1,0,0,0,0|3,0,0]=4 4698 B13R1.343 CC(C)CNCCCn1cccc1 34a_100000210953_200009814367 [0,1,0,0,0,0|3,0,0]=4 4699 B13R1.343 CC(C)CNCCCn1cccn1 2230a_100000210953_100000739983 [0,1,0,0,0,0|3,0,0]=4 4700 B13R1.343 CC(C)CNCCCn1cccn1 270004a_100000737576_100000210432 [0,1,0,0,0,0|3,0,0]=4 4701 B13R1.343 CC(C)COCCCc1cccs1 34a_100000210257_100010992444 [0,1,0,0,0,0|1,1,0]=3 4702 B13R1.343 CC(C)COCCCc1cccs1 34a_100011713143_100000210624 [0,1,0,0,0,0|1,1,0]=3 4703 B13R1.343 CC(C)COCCCc1cccs1 7a_100011713143_100000210760 [0,1,0,0,0,0|1,1,0]=3 4704 B13R1.343 CC(C)COCCCc1ccsc1 34a_200000699776_100000210624 [0,1,0,0,0,0|3,0,0]=4 4705 B13R1.343 CC(C)COCCCc1ccsc1 7a_200000699776_100000210760 [0,1,0,0,0,0|3,0,0]=4 4706 B13R1.343 CC(C)COCCCn1cccc1 34a_100000179399_100000210624 [0,1,0,0,0,0|3,0,0]=4 4707 B13R1.343 CC(C)COCCCn1cccc1 34a_100000210257_200009814367 [0,1,0,0,0,0|3,0,0]=4 4708 B13R1.343 CC(C)COCCCn1cccc1 7a_100000179399_100000210760 [0,1,0,0,0,0|3,0,0]=4 4709 B13R1.343 CC(C)COCCCn1cccn1 34a_100000753614_100000210624 [0,1,0,0,0,0|3,0,0]=4 4710 B13R1.343 CC(C)CSCCCc1cccs1 62a_100000210624_100010992444 [0,1,0,0,0,0|1,1,0]=3 4711 B13R1.343 CC(C)CSCCCc1cccs1 62a_100010992444_100000210760 [0,1,0,0,0,0|1,1,0]=3 4712 B13R1.343 CC(C)CSCCCn1cccc1 62a_100000210624_200009814367 [0,1,0,0,0,0|3,0,0]=4 4713 B13R1.343 CC(C)CSCCCn1cccc1 62a_200009814367_100000210760 [0,1,0,0,0,0|3,0,0]=4 4714 B13R1.343 CC(C)CSCCCn1cccn1 62a_100000210624_100000739983 [0,1,0,0,0,0|3,0,0]=4 4715 B13R1.343 CC(C)CSCCCn1cccn1 62a_100000739983_100000210760 [0,1,0,0,0,0|3,0,0]=4 4716 B13R1.343 CC(C)NCCOCc1ncco1 34a_100000224655_103436540062 [0,1,0,0,0,0|3,0,0]=4 4717 B13R1.343 CC(C)NCCSCc1ccco1 2230a_100000184675_100000210206 [0,1,0,0,0,0|2,0,0]=3 4718 B13R1.343 CC(C)NCCSCc1ccco1 7a_100000184675_100000210206 [0,1,0,0,0,0|2,0,0]=3 4719 B13R1.343 CC(C)OCCNCc1ccco1 207a_100000701111_100000186105 [0,1,0,0,0,0|2,0,0]=3 4720 B13R1.343 CC(C)OCCNCc1ccco1 2230a_100000185738_100000211751 [0,1,0,0,0,0|2,0,0]=3 4721 B13R1.343 CC(C)OCCNCc1ccco1 270004a_100000701111_100000186105 [0,1,0,0,0,0|2,0,0]=3 4722 B13R1.343 CC(C)OCCNCc1ccco1 34a_100000185738_100000211751 [0,1,0,0,0,0|2,0,0]=3 4723 B13R1.343 CC(C)OCCNCc1cccs1 207a_100000701111_100000209959 [0,1,0,0,0,0|2,1,0]=4 4724 B13R1.343 CC(C)OCCNCc1cccs1 2230a_100000211653_100000211751 [0,1,0,0,0,0|2,1,0]=4 4725 B13R1.343 CC(C)OCCNCc1cccs1 270004a_100000701111_100000209959 [0,1,0,0,0,0|2,1,0]=4 4726 B13R1.343 CC(C)OCCNCc1cnco1 270004a_100000701111_100000064291 [0,1,0,0,0,0|3,0,0]=4 4727 B13R1.343 CC(C)OCCNCc1ncco1 2230a_100000701111_103436540062 [0,1,0,0,0,0|3,0,0]=4 4728 B13R1.343 CC(C)OCCNCc1ncco1 2230a_100016994969_100000211751 [0,1,0,0,0,0|3,0,0]=4 4729 B13R1.343 CC(C)OCCNCc1ncco1 270004a_100000701111_100000064290 [0,1,0,0,0,0|3,0,0]=4 4730 B13R1.343 CC(C)OCCNCc1ncco1 34a_100000701111_103436540062 [0,1,0,0,0,0|3,0,0]=4 4731 B13R1.343 CC(C)OCCOCc1ccco1 34a_100000210059_100000211751 [0,1,0,0,0,0|2,0,0]=3 4732 B13R1.343 CC(C)OCCOCc1cccs1 34a_100000211240_100000211751 [0,1,0,0,0,0|2,1,0]=4 4733 B13R1.343 CC(C)OCCOCc1ccno1 34a_100000740478_100000211751 [0,1,0,0,0,0|3,0,0]=4 4734 B13R1.343 CC(C)OCCOCc1ncco1 34a_100000062594_100000211751 [0,1,0,0,0,0|3,0,0]=4 4735 B13R1.343 CC(C)OCCOCc1ncco1 34a_100000211219_103436540062 [0,1,0,0,0,0|3,0,0]=4 4736 B13R1.343 CC(C)OCCOCc1ncco1 7a_100000211219_103436540062 [0,1,0,0,0,0|3,0,0]=4 4737 B13R1.343 CC(C)OCCSCc1ncco1 62a_100000211751_103436540062 [0,1,0,0,0,0|3,0,0]=4 4738 B13R1.343 CC(C)OCCSCc1ncco1 62a_103436540062_100000211751 [0,1,0,0,0,0|3,0,0]=4 4739 B13R1.343 CC(C)OCNCCc1ccco1 2230a_100000694680_100000709892 [0,1,0,0,0,0|2,0,0]=3 4740 B13R1.343 CC(C)OCNCCc1ccco1 34a_100000694680_100000709892 [0,1,0,0,0,0|2,0,0]=3 4741 B13R1.343 CC(C)OCNCCc1cccs1 2230a_100000203755_100000709892 [0,1,0,0,0,0|2,1,0]=4 4742 B13R1.343 CC(C)OCNCCc1cccs1 34a_100000203755_100000709892 [0,1,0,0,0,0|2,1,0]=4 4743 B13R1.343 CC(C)OCOCCc1cccs1 34a_100011216825_100000709892 [0,1,0,0,0,0|2,1,0]=4 4744 B13R1.343 CC(C)OCSCCc1cccs1 62a_100000709892_100000748579 [0,1,0,0,0,0|2,1,0]=4 4745 B13R1.343 CC(C)OCSCCc1cccs1 62a_100000748579_100000709892 [0,1,0,0,0,0|2,1,0]=4 4746 B13R1.343 CC(C)SCCNCc1ccco1 207a_100000731138_100000186105 [0,1,0,0,0,0|2,0,0]=3 4747 B13R1.343 CC(C)SCCNCc1ccco1 2230a_100000185738_100000730970 [0,1,0,0,0,0|2,0,0]=3 4748 B13R1.343 CC(C)SCCNCc1ccco1 270004a_100000731138_100000186105 [0,1,0,0,0,0|2,0,0]=3 4749 B13R1.343 CC(C)SCCNCc1ccco1 34a_100000185738_100000730970 [0,1,0,0,0,0|2,0,0]=3 4750 B13R1.343 CC(C)SCCNCc1cccs1 207a_100000731138_100000209959 [0,1,0,0,0,0|2,1,0]=4 4751 B13R1.343 CC(C)SCCNCc1cccs1 2230a_100000211653_100000730970 [0,1,0,0,0,0|2,1,0]=4 4752 B13R1.343 CC(C)SCCNCc1cccs1 270004a_100000731138_100000209959 [0,1,0,0,0,0|2,1,0]=4 4753 B13R1.343 CC(C)SCCNCc1cnco1 270004a_100000731138_100000064291 [0,1,0,0,0,0|3,0,0]=4 4754 B13R1.343 CC(C)SCCNCc1ncco1 2230a_100000731138_103436540062 [0,1,0,0,0,0|3,0,0]=4 4755 B13R1.343 CC(C)SCCNCc1ncco1 2230a_100016994969_100000730970 [0,1,0,0,0,0|3,0,0]=4 4756 B13R1.343 CC(C)SCCNCc1ncco1 270004a_100000731138_100000064290 [0,1,0,0,0,0|3,0,0]=4 4757 B13R1.343 CC(C)SCCNCc1ncco1 34a_100000731138_103436540062 [0,1,0,0,0,0|3,0,0]=4 4758 B13R1.343 CC(C)SCCOCc1ccco1 34a_100000210059_100000730970 [0,1,0,0,0,0|2,0,0]=3 4759 B13R1.343 CC(C)SCCOCc1cccs1 34a_100000211240_100000730970 [0,1,0,0,0,0|2,1,0]=4 4760 B13R1.343 CC(C)SCCOCc1ccno1 34a_100000740478_100000730970 [0,1,0,0,0,0|3,0,0]=4 4761 B13R1.343 CC(C)SCCOCc1ncco1 34a_100000062594_100000730970 [0,1,0,0,0,0|3,0,0]=4 4762 B13R1.343 CC(C)SCCOCc1ncco1 34a_200011212901_103436540062 [0,1,0,0,0,0|3,0,0]=4 4763 B13R1.343 CC(C)SCCOCc1ncco1 7a_200011212901_103436540062 [0,1,0,0,0,0|3,0,0]=4 4764 B13R1.343 CC(C)SCCSCc1ncco1 62a_100000730970_103436540062 [0,1,0,0,0,0|3,0,0]=4 4765 B13R1.343 CC(C)SCCSCc1ncco1 62a_103436540062_100000730970 [0,1,0,0,0,0|3,0,0]=4 4766 B13R1.343 CC(F)COCCCc1cccs1 34a_100015925927_100010992444 [0,1,0,0,0,0|1,1,0]=3 4767 B13R1.343 CC(F)COCCCn1cccc1 34a_100015925927_200009814367 [0,1,0,0,0,0|3,0,0]=4 4768 B13R1.343 CC(O)CCCNCc1ccco1 2230a_100000185738_200000718107 [0,1,0,0,0,0|1,0,0]=2 4769 B13R1.343 CC(O)CCCNCc1ccco1 34a_100000185738_200000718107 [0,1,0,0,0,0|1,0,0]=2 4770 B13R1.343 CC(O)CCCNCc1cccs1 2230a_100000211653_200000718107 [0,1,0,0,0,0|1,1,0]=3 4771 B13R1.343 CC(O)CCCNCc1ccoc1 2230a_100015206860_200000718107 [0,1,0,0,0,0|3,0,0]=4 4772 B13R1.343 CC(O)CCCNCc1ccoc1 34a_100015206860_200000718107 [0,1,0,0,0,0|3,0,0]=4 4773 B13R1.343 CC(O)CCCNCc1ccsc1 2230a_100000186416_200000718107 [0,1,0,0,0,0|3,0,0]=4 4774 B13R1.343 CC(O)CCCNCc1ccsc1 34a_100000186416_200000718107 [0,1,0,0,0,0|3,0,0]=4 4775 B13R1.343 CC(O)CCCNCc1cncs1 2230a_100016987365_200000718107 [0,1,0,0,0,0|2,1,0]=4 4776 B13R1.343 CC(O)CCCNCc1cscn1 2230a_100015185402_200000718107 [0,1,0,0,0,0|3,0,0]=4 4777 B13R1.343 CC(O)CCCNCc1ncco1 2230a_100016994969_200000718107 [0,1,0,0,0,0|2,0,0]=3 4778 B13R1.343 CC(O)CCCNCc1nccs1 2230a_100000740555_200000718107 [0,1,0,0,0,0|2,1,0]=4 4779 B13R1.343 CC(O)CCCOCc1ccco1 34a_100000210059_200000718107 [0,1,0,0,0,0|1,0,0]=2 4780 B13R1.343 CC(O)CCCOCc1cccs1 34a_100000211240_200000718107 [0,1,0,0,0,0|1,1,0]=3 4781 B13R1.343 CC(O)CCCOCc1ccno1 34a_100000740478_200000718107 [0,1,0,0,0,0|2,0,0]=3 4782 B13R1.343 CC(O)CCCOCc1ccoc1 34a_100011215357_200000718107 [0,1,0,0,0,0|3,0,0]=4 4783 B13R1.343 CC(O)CCCOCc1ccsc1 34a_100011215551_200000718107 [0,1,0,0,0,0|3,0,0]=4 4784 B13R1.343 CC(O)CCCOCc1ncco1 34a_100000062594_200000718107 [0,1,0,0,0,0|2,0,0]=3 4785 B13R1.343 CC(O)CCCOCn1cccn1 34a_100000731028_200000718107 [0,1,0,0,0,0|3,0,0]=4 4786 B13R1.343 CC(O)CCCSCc1c[nH]cn1 62a_100000707719_200000718107 [0,1,0,0,0,0|3,0,0]=4 4787 B13R1.343 CC(O)CCCSCc1c[nH]cn1 62a_200000718107_100000707719 [0,1,0,0,0,0|3,0,0]=4 4788 B13R1.343 CC(O)CCCSCc1ccn[nH]1 62a_100000728653_200000718107 [0,1,0,0,0,0|3,0,0]=4 4789 B13R1.343 CC(O)CCCSCc1ccn[nH]1 62a_200000718107_100000728653 [0,1,0,0,0,0|3,0,0]=4 4790 B13R1.343 CC(O)CCCSCc1ccon1 62a_100000234950_200000718107 [0,1,0,0,0,0|3,0,0]=4 4791 B13R1.343 CC(O)CCCSCc1ccon1 62a_200000718107_100000234950 [0,1,0,0,0,0|3,0,0]=4 4792 B13R1.343 CC(O)CCCSCc1ccsc1 62a_100011261437_200000718107 [0,1,0,0,0,0|3,0,0]=4 4793 B13R1.343 CC(O)CCCSCc1ccsc1 62a_200000718107_100011233845 [0,1,0,0,0,0|3,0,0]=4 4794 B13R1.343 CC(O)CCCSCc1cncs1 62a_100015185245_200000718107 [0,1,0,0,0,0|2,1,0]=4 4795 B13R1.343 CC(O)CCCSCc1cncs1 62a_200000718107_100015185245 [0,1,0,0,0,0|2,1,0]=4 4796 B13R1.343 CC(O)CCCSCc1cscn1 62a_100000205941_200000718107 [0,1,0,0,0,0|3,0,0]=4 4797 B13R1.343 CC(O)CCCSCc1cscn1 62a_200000718107_100000205941 [0,1,0,0,0,0|3,0,0]=4 4798 B13R1.343 CC(O)CCCSCc1ncc[nH]1 62a_100016991755_200000718107 [0,1,0,0,0,0|3,0,0]=4 4799 B13R1.343 CC(O)CCCSCc1ncc[nH]1 62a_200000718107_100016991755 [0,1,0,0,0,0|3,0,0]=4 4800 B13R1.343 CC(O)CCCSCc1ncco1 62a_103436540062_200000718107 [0,1,0,0,0,0|2,0,0]=3 4801 B13R1.343 CC(O)CCCSCc1ncco1 62a_200000718107_103436540062 [0,1,0,0,0,0|2,0,0]=3 4802 B13R1.343 CC(O)CCCSCc1nccs1 62a_100015184050_200000718107 [0,1,0,0,0,0|2,1,0]=4 4803 B13R1.343 CC(O)CCCSCc1nccs1 62a_200000718107_100015184050 [0,1,0,0,0,0|2,1,0]=4 4804 B13R1.343 CC(O)CCNCCc1c[nH]cn1 2230a_200000755665_100020628418 [0,1,0,0,0,0|3,0,0]=4 4805 B13R1.343 CC(O)CCNCCc1ccco1 2230a_100000694680_100012276601 [0,1,0,0,0,0|1,0,0]=2 4806 B13R1.343 CC(O)CCNCCc1ccco1 34a_100000694680_100012276601 [0,1,0,0,0,0|1,0,0]=2 4807 B13R1.343 CC(O)CCNCCc1cccs1 2230a_100000203755_100012276601 [0,1,0,0,0,0|1,1,0]=3 4808 B13R1.343 CC(O)CCNCCc1cccs1 2230a_200000755665_100000748579 [0,1,0,0,0,0|1,1,0]=3 4809 B13R1.343 CC(O)CCNCCc1cccs1 34a_100000203755_100012276601 [0,1,0,0,0,0|1,1,0]=3 4810 B13R1.343 CC(O)CCNCCc1ccsc1 2230a_100000692642_100012276601 [0,1,0,0,0,0|3,0,0]=4 4811 B13R1.343 CC(O)CCNCCc1ccsc1 34a_100000692642_100012276601 [0,1,0,0,0,0|3,0,0]=4 4812 B13R1.343 CC(O)CCNCCc1cncs1 2230a_100016991637_100012276601 [0,1,0,0,0,0|2,1,0]=4 4813 B13R1.343 CC(O)CCNCCc1nccs1 2230a_100015186391_100012276601 [0,1,0,0,0,0|2,1,0]=4 4814 B13R1.343 CC(O)CCNCCn1cccc1 2230a_200000755665_200009811947 [0,1,0,0,0,0|3,0,0]=4 4815 B13R1.343 CC(O)CCNCCn1cccc1 34a_100011368172_100012276601 [0,1,0,0,0,0|3,0,0]=4 4816 B13R1.343 CC(O)CCNCCn1cccn1 2230a_100011200920_100012276601 [0,1,0,0,0,0|3,0,0]=4 4817 B13R1.343 CC(O)CCNCCn1cccn1 2230a_200000755665_100000685285 [0,1,0,0,0,0|3,0,0]=4 4818 B13R1.343 CC(O)CCOCCc1cccs1 34a_100011216825_100012276601 [0,1,0,0,0,0|1,1,0]=3 4819 B13R1.343 CC(O)CCOCCc1cccs1 7a_100011216825_100012276601 [0,1,0,0,0,0|1,1,0]=3 4820 B13R1.343 CC(O)CCOCCc1ccsc1 34a_100000748821_100012276601 [0,1,0,0,0,0|3,0,0]=4 4821 B13R1.343 CC(O)CCOCCc1ncc[nH]1 34a_103549771195_100012276601 [0,1,0,0,0,0|3,0,0]=4 4822 B13R1.343 CC(O)CCOCCn1cccc1 34a_100000179382_100012276601 [0,1,0,0,0,0|3,0,0]=4 4823 B13R1.343 CC(O)CCOCCn1cccn1 34a_100000743371_100012276601 [0,1,0,0,0,0|3,0,0]=4 4824 B13R1.343 CC(O)CCSCCc1c[nH]cn1 62a_100012276601_100020628418 [0,1,0,0,0,0|3,0,0]=4 4825 B13R1.343 CC(O)CCSCCc1c[nH]cn1 62a_100020628418_100012276601 [0,1,0,0,0,0|3,0,0]=4 4826 B13R1.343 CC(O)CCSCCc1cccs1 62a_100000748579_100012276601 [0,1,0,0,0,0|1,1,0]=3 4827 B13R1.343 CC(O)CCSCCc1cccs1 62a_100012276601_100000748579 [0,1,0,0,0,0|1,1,0]=3 4828 B13R1.343 CC(O)CCSCCn1cccc1 62a_100012276601_200000035178 [0,1,0,0,0,0|3,0,0]=4 4829 B13R1.343 CC(O)CCSCCn1cccc1 62a_200009811947_100012276601 [0,1,0,0,0,0|3,0,0]=4 4830 B13R1.343 CC(O)CCSCCn1cccn1 62a_100012276601_100000685285 [0,1,0,0,0,0|3,0,0]=4 4831 B13R1.343 CC(O)CCSCCn1cccn1 62a_100015204718_100012276601 [0,1,0,0,0,0|3,0,0]=4 4832 B13R1.343 CC(O)CNCC=Cc1ccco1 270004a_100000210904_100000185671 [0,1,0,0,0,0|1,0,2]=4 4833 B13R1.343 CC(O)CNCCCc1cccs1 2230a_100000210904_100010992444 [0,1,0,0,0,0|1,1,0]=3 4834 B13R1.343 CC(O)CNCCCc1cccs1 34a_100000210904_100010992444 [0,1,0,0,0,0|1,1,0]=3 4835 B13R1.343 CC(O)CNCCCn1cccc1 2230a_100000210904_200009814367 [0,1,0,0,0,0|3,0,0]=4 4836 B13R1.343 CC(O)CNCCCn1cccc1 34a_100000210904_200009814367 [0,1,0,0,0,0|3,0,0]=4 4837 B13R1.343 CC(O)CNCCCn1cccn1 2230a_100000210904_100000739983 [0,1,0,0,0,0|3,0,0]=4 4838 B13R1.343 CC(O)COCCCc1cccs1 34a_100011713143_100011218427 [0,1,0,0,0,0|1,1,0]=3 4839 B13R1.343 CC(O)COCCCc1cccs1 7a_100011713143_100011218427 [0,1,0,0,0,0|1,1,0]=3 4840 B13R1.343 CC(O)COCCCc1ccsc1 34a_200000699776_100011218427 [0,1,0,0,0,0|3,0,0]=4 4841 B13R1.343 CC(O)COCCCc1ccsc1 7a_200000699776_100011218427 [0,1,0,0,0,0|3,0,0]=4 4842 B13R1.343 CC(O)COCCCn1cccc1 34a_100000179399_100011218427 [0,1,0,0,0,0|3,0,0]=4 4843 B13R1.343 CC(O)COCCCn1cccc1 7a_100000179399_100011218427 [0,1,0,0,0,0|3,0,0]=4 4844 B13R1.343 CC(O)COCCCn1cccn1 34a_100000753614_100011218427 [0,1,0,0,0,0|3,0,0]=4 4845 B13R1.343 CC(O)CSCCCc1cccs1 62a_100010992444_100011218427 [0,1,0,0,0,0|1,1,0]=3 4846 B13R1.343 CC(O)CSCCCc1cccs1 62a_100011218427_100010992444 [0,1,0,0,0,0|1,1,0]=3 4847 B13R1.343 CC(O)CSCCCn1cccc1 62a_100011218427_200009814367 [0,1,0,0,0,0|3,0,0]=4 4848 B13R1.343 CC(O)CSCCCn1cccc1 62a_200009814367_100011218427 [0,1,0,0,0,0|3,0,0]=4 4849 B13R1.343 CC(O)CSCCCn1cccn1 62a_100000739983_100011218427 [0,1,0,0,0,0|3,0,0]=4 4850 B13R1.343 CC(O)CSCCCn1cccn1 62a_100011218427_100000739983 [0,1,0,0,0,0|3,0,0]=4 4851 B13R1.343 CN(C)CCCCSc1ccco1 62a_100009814098_100000690147 [0,1,0,0,0,0|2,0,0]=3 4852 B13R1.343 CN(C)CCCCSc1cccs1 62a_100011215356_100000690147 [0,1,0,0,0,0|2,1,0]=4 4853 B13R1.343 CN(C)CCCCSc1cnco1 62a_100020591547_100000690147 [0,1,0,0,0,0|3,0,0]=4 4854 B13R1.343 CN(C)CCCCSc1ncco1 62a_100011787736_100000690147 [0,1,0,0,0,0|3,0,0]=4 4855 B13R1.343 CN(C)CCCNCc1ccco1 207a_102531767803_100000186105 [0,1,0,0,0,0|2,0,0]=3 4856 B13R1.343 CN(C)CCCNCc1ccco1 270004a_102531767803_100000186105 [0,1,0,0,0,0|2,0,0]=3 4857 B13R1.343 CN(C)CCCNCc1cccs1 207a_102531767803_100000209959 [0,1,0,0,0,0|2,1,0]=4 4858 B13R1.343 CN(C)CCCNCc1cccs1 270004a_102531767803_100000209959 [0,1,0,0,0,0|2,1,0]=4 4859 B13R1.343 CN(C)CCCNCc1cnco1 270004a_102531767803_100000064291 [0,1,0,0,0,0|3,0,0]=4 4860 B13R1.343 CN(C)CCCNCc1ncco1 270004a_102531767803_100000064290 [0,1,0,0,0,0|3,0,0]=4 4861 B13R1.343 CN(C)CCCSCc1ncco1 62a_103436540062_100000757444 [0,1,0,0,0,0|3,0,0]=4 4862 B13R1.343 CN(C)CCOCCc1cccs1 7a_100011216825_100000755713 [0,1,0,0,0,0|2,1,0]=4 4863 B13R1.343 CN(C)CCSCCc1cccs1 62a_100000748579_100000755713 [0,1,0,0,0,0|2,1,0]=4 4864 B13R1.343 CS(=O)CCCNCc1ccco1 207a_200000753449_100000186105 [0,1,0,0,0,0|2,0,0]=3 4865 B13R1.343 CS(=O)CCCNCc1ccco1 270004a_200000753449_100000186105 [0,1,0,0,0,0|2,0,0]=3 4866 B13R1.343 CS(=O)CCCNCc1cccs1 207a_200000753449_100000209959 [0,1,0,0,0,0|2,1,0]=4 4867 B13R1.343 CS(=O)CCCNCc1cccs1 270004a_200000753449_100000209959 [0,1,0,0,0,0|2,1,0]=4 4868 B13R1.343 CS(=O)CCCNCc1cnco1 270004a_200000753449_100000064291 [0,1,0,0,0,0|3,0,0]=4 4869 B13R1.343 CS(=O)CCCNCc1ncco1 2230a_200000753449_103436540062 [0,1,0,0,0,0|3,0,0]=4 4870 B13R1.343 CS(=O)CCCNCc1ncco1 270004a_200000753449_100000064290 [0,1,0,0,0,0|3,0,0]=4 4871 B13R1.343 C[C@@H](Cl)COCCCc1cccs1 34a_100016084084_100010992444 [0,1,0,0,0,0|1,1,0]=3 4872 B13R1.343 C[C@@H](Cl)COCCCn1cccc1 34a_100016084084_200009814367 [0,1,0,0,0,0|3,0,0]=4 4873 B13R1.343 C[C@@H](N)CCOCCc1cccs1 34a_100000706166_100000748579 [0,1,0,0,0,0|1,1,0]=3 4874 B13R1.343 C[C@@H](N)CCOCCn1cccn1 34a_100000706166_100015204718 [0,1,0,0,0,0|3,0,0]=4 4875 B13R1.343 C[C@@H](N)COCCCc1cccs1 34a_100000737577_100010992444 [0,1,0,0,0,0|1,1,0]=3 4876 B13R1.343 C[C@@H](N)COCCCn1cccc1 34a_100000737577_200009814367 [0,1,0,0,0,0|3,0,0]=4 4877 B13R1.343 C[C@@H](O)COCCCc1cccs1 34a_100011713143_100009817552 [0,1,0,0,0,0|1,1,0]=3 4878 B13R1.343 C[C@@H](O)COCCCc1cccs1 7a_100011713143_100009817552 [0,1,0,0,0,0|1,1,0]=3 4879 B13R1.343 C[C@@H](O)COCCCc1ccsc1 34a_200000699776_100009817552 [0,1,0,0,0,0|3,0,0]=4 4880 B13R1.343 C[C@@H](O)COCCCc1ccsc1 7a_200000699776_100009817552 [0,1,0,0,0,0|3,0,0]=4 4881 B13R1.343 C[C@@H](O)COCCCn1cccc1 34a_100000179399_100009817552 [0,1,0,0,0,0|3,0,0]=4 4882 B13R1.343 C[C@@H](O)COCCCn1cccc1 7a_100000179399_100009817552 [0,1,0,0,0,0|3,0,0]=4 4883 B13R1.343 C[C@@H](O)COCCCn1cccn1 34a_100000753614_100009817552 [0,1,0,0,0,0|3,0,0]=4 4884 B13R1.343 C[C@@H](O)CSCCCc1cccs1 62a_100009817552_100010992444 [0,1,0,0,0,0|1,1,0]=3 4885 B13R1.343 C[C@@H](O)CSCCCc1cccs1 62a_100010992444_100009817552 [0,1,0,0,0,0|1,1,0]=3 4886 B13R1.343 C[C@@H](O)CSCCCn1cccc1 62a_100009817552_200009814367 [0,1,0,0,0,0|3,0,0]=4 4887 B13R1.343 C[C@@H](O)CSCCCn1cccc1 62a_200009814367_100009817552 [0,1,0,0,0,0|3,0,0]=4 4888 B13R1.343 C[C@@H](O)CSCCCn1cccn1 62a_100000739983_100009817552 [0,1,0,0,0,0|3,0,0]=4 4889 B13R1.343 C[C@@H](O)CSCCCn1cccn1 62a_100009817552_100000739983 [0,1,0,0,0,0|3,0,0]=4 4890 B13R1.343 FC(F)CCOCCc1cccs1 34a_100103093639_100000748579 [0,1,0,0,0,0|2,1,0]=4 4891 B13R1.343 FC(F)CNCCCc1cccs1 34a_100000765723_100010992444 [0,1,0,0,0,0|2,1,0]=4 4892 B13R1.343 FC(F)COCCCc1cccs1 34a_100000743014_100010992444 [0,1,0,0,0,0|2,1,0]=4 4893 B13R1.343 FC(F)COCCCc1cccs1 34a_100011713143_100011934356 [0,1,0,0,0,0|2,1,0]=4 4894 B13R1.343 FC(F)COCCCc1cccs1 7a_100011713143_100011934356 [0,1,0,0,0,0|2,1,0]=4 4895 B13R1.343 FC(F)COCCSc1ccco1 62a_100009814098_200012177212 [0,1,0,0,0,0|3,0,0]=4 4896 B13R1.343 FC(F)COCCSc1ccco1 62a_200012177212_100009814098 [0,1,0,0,0,0|3,0,0]=4 4897 B13R1.343 FC(F)CSCCCc1cccs1 62a_100010992444_100011934356 [0,1,0,0,0,0|2,1,0]=4 4898 B13R1.343 FC(F)CSCCCc1cccs1 62a_100011934356_100010992444 [0,1,0,0,0,0|2,1,0]=4 4899 B13R1.343 NC(=O)CCCNCc1ccco1 34a_100000185738_100102525003 [0,1,0,0,0,0|2,0,1]=4 4900 B13R1.343 NC(=O)CCCOCc1ccco1 34a_100000210059_100102525003 [0,1,0,0,0,0|2,0,1]=4 4901 B13R1.343 NC(=O)CCNCCc1ccco1 2230a_100000694680_100000744528 [0,1,0,0,0,0|2,0,1]=4 4902 B13R1.343 NC(=O)CCNCCc1ccco1 34a_100000694680_100000731001 [0,1,0,0,0,0|2,0,1]=4 4903 B13R1.343 OB(O)CCCCSc1ccco1 62a_100009814098_200009817182 [0,1,0,0,0,0|3,0,0]=4 4904 B13R1.343 OB(O)CCCCSc1ccco1 62a_200009817182_100009814098 [0,1,0,0,0,0|3,0,0]=4 4905 B13R1.404 CC(CC#N)NCCc1ccco1 2230a_100000694680_100009813641 [0,1,0,0,0,0|2,0,1]=4 4906 B13R1.404 CC(CCBr)OCCc1cccs1 34a_100012276601_100000748579 [0,1,0,0,0,0|2,1,0]=4 4907 B13R1.404 CC(CCN)COCc1ncco1 34a_106354213184_103436540062 [0,1,0,0,0,0|3,0,0]=4 4908 B13R1.404 CC(CCO)NCCc1ccco1 2230a_100000694680_100009893172 [0,1,0,0,0,0|2,0,0]=3 4909 B13R1.404 CC(CCO)NCCc1ccco1 34a_100000694680_100009893172 [0,1,0,0,0,0|2,0,0]=3 4910 B13R1.404 CC(CCO)NCCc1cccs1 2230a_100000203755_100009893172 [0,1,0,0,0,0|2,1,0]=4 4911 B13R1.404 CC(CCO)NCCc1cccs1 34a_100000203755_100009893172 [0,1,0,0,0,0|2,1,0]=4 4912 B13R1.404 CC(CCO)OCCc1cccs1 34a_100011216825_100009893172 [0,1,0,0,0,0|2,1,0]=4 4913 B13R1.404 CC(CCO)OCCc1cccs1 7a_100011216825_100009893172 [0,1,0,0,0,0|2,1,0]=4 4914 B13R1.404 CC(CCO)SCCc1cccs1 62a_100000748579_100009893172 [0,1,0,0,0,0|2,1,0]=4 4915 B13R1.404 CC(CCO)SCCc1cccs1 62a_100009893172_100000748579 [0,1,0,0,0,0|2,1,0]=4 4916 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000184482_100000210303 [0,1,0,0,0,0|0,1,1]=3 4917 B13R1.404 CCCC(=O)CCCc1cccs1 1458a_100000211992_100010992444 [0,1,0,0,0,0|0,1,1]=3 4918 B13R1.404 CCCC(=O)CCCn1cccc1 1458a_100000211992_200009814367 [0,1,0,0,0,0|2,0,1]=4 4919 B13R1.404 CCCC(=O)CCCn1cccc1 1458a_100000691410_100000210303 [0,1,0,0,0,0|2,0,1]=4 4920 B13R1.404 CCCC(=O)CCCn1cccn1 1458a_100000211992_100000739983 [0,1,0,0,0,0|2,0,1]=4 4921 B13R1.404 CCCC(=O)CCCn1cccn1 1458a_100000742828_100000210303 [0,1,0,0,0,0|2,0,1]=4 4922 B13R1.404 CCCC(=O)CNCc1ccco1 2230a_100000185738_100000747444 [0,1,0,0,0,0|1,0,1]=3 4923 B13R1.404 CCCC(=O)CNCc1cccs1 2230a_100000211653_100000747444 [0,1,0,0,0,0|1,1,1]=4 4924 B13R1.404 CCCC(=O)CNCc1ncco1 2230a_100016994969_100000747444 [0,1,0,0,0,0|2,0,1]=4 4925 B13R1.404 CCCC(=O)CSCc1ncco1 62a_100000747444_103436540062 [0,1,0,0,0,0|2,0,1]=4 4926 B13R1.404 CCCC(=O)CSCc1ncco1 62a_103436540062_100000747444 [0,1,0,0,0,0|2,0,1]=4 4927 B13R1.404 CCCC(=O)NCCc1ccco1 11a_100000694680_100000211992 [0,1,0,0,0,0|1,0,1]=3 4928 B13R1.404 CCCC(=O)NCCc1ccco1 1626a_100000694680_100000211992 [0,1,0,0,0,0|1,0,1]=3 4929 B13R1.404 CCCC(=O)NCCc1ccco1 240690a_100000694680_100000211992 [0,1,0,0,0,0|1,0,1]=3 4930 B13R1.404 CCCC(=O)NCCc1ccco1 527a_100000694680_100000211992 [0,1,0,0,0,0|1,0,1]=3 4931 B13R1.404 CCCC(=O)NCCc1cccs1 11a_100000203755_100000211992 [0,1,0,0,0,0|1,1,1]=4 4932 B13R1.404 CCCC(=O)NCCc1cccs1 1626a_100000203755_100000211992 [0,1,0,0,0,0|1,1,1]=4 4933 B13R1.404 CCCC(=O)NCCc1cccs1 240690a_100000203755_100000211992 [0,1,0,0,0,0|1,1,1]=4 4934 B13R1.404 CCCC(=O)NCCc1cccs1 527a_100000203755_100000211992 [0,1,0,0,0,0|1,1,1]=4 4935 B13R1.404 CCCC(=O)OCSc1ccco1 62a_100009814098_100000034017 [0,1,0,0,0,0|2,0,1]=4 4936 B13R1.404 CCCC(C)CNCc1ccco1 2230a_100000185738_100011216630 [0,1,0,0,0,0|1,0,0]=2 4937 B13R1.404 CCCC(C)CNCc1ccco1 270004a_100000185738_100000243154 [0,1,0,0,0,0|1,0,0]=2 4938 B13R1.404 CCCC(C)CNCc1ccco1 34a_100000185738_100011216630 [0,1,0,0,0,0|1,0,0]=2 4939 B13R1.404 CCCC(C)CNCc1cccs1 2230a_100000211653_100011216630 [0,1,0,0,0,0|1,1,0]=3 4940 B13R1.404 CCCC(C)CNCc1cccs1 270004a_100000211653_100000243154 [0,1,0,0,0,0|1,1,0]=3 4941 B13R1.404 CCCC(C)CNCc1ccoc1 2230a_100015206860_100011216630 [0,1,0,0,0,0|3,0,0]=4 4942 B13R1.404 CCCC(C)CNCc1ccoc1 270004a_100015206860_100000243154 [0,1,0,0,0,0|3,0,0]=4 4943 B13R1.404 CCCC(C)CNCc1ccoc1 34a_100015206860_100011216630 [0,1,0,0,0,0|3,0,0]=4 4944 B13R1.404 CCCC(C)CNCc1ccon1 270004a_100000688301_100000243154 [0,1,0,0,0,0|3,0,0]=4 4945 B13R1.404 CCCC(C)CNCc1ccsc1 2230a_100000186416_100011216630 [0,1,0,0,0,0|3,0,0]=4 4946 B13R1.404 CCCC(C)CNCc1ccsc1 270004a_100000186416_100000243154 [0,1,0,0,0,0|3,0,0]=4 4947 B13R1.404 CCCC(C)CNCc1ccsc1 34a_100000186416_100011216630 [0,1,0,0,0,0|3,0,0]=4 4948 B13R1.404 CCCC(C)CNCc1cnco1 270004a_100020634212_100000243154 [0,1,0,0,0,0|2,0,0]=3 4949 B13R1.404 CCCC(C)CNCc1cncs1 2230a_100016987365_100011216630 [0,1,0,0,0,0|2,1,0]=4 4950 B13R1.404 CCCC(C)CNCc1cncs1 270004a_100016987365_100000243154 [0,1,0,0,0,0|2,1,0]=4 4951 B13R1.404 CCCC(C)CNCc1cocn1 270004a_100015188801_100000243154 [0,1,0,0,0,0|3,0,0]=4 4952 B13R1.404 CCCC(C)CNCc1cscn1 2230a_100015185402_100011216630 [0,1,0,0,0,0|3,0,0]=4 4953 B13R1.404 CCCC(C)CNCc1ncc[nH]1 270004a_100000754540_100000243154 [0,1,0,0,0,0|3,0,0]=4 4954 B13R1.404 CCCC(C)CNCc1ncco1 2230a_100016994969_100011216630 [0,1,0,0,0,0|2,0,0]=3 4955 B13R1.404 CCCC(C)CNCc1nccs1 2230a_100000740555_100011216630 [0,1,0,0,0,0|2,1,0]=4 4956 B13R1.404 CCCC(C)CNCc1nccs1 270004a_100000740555_100000243154 [0,1,0,0,0,0|2,1,0]=4 4957 B13R1.404 CCCC(C)COCc1c[nH]cn1 34a_100000688023_100000707719 [0,1,0,0,0,0|3,0,0]=4 4958 B13R1.404 CCCC(C)COCc1ccco1 34a_100000210059_100011216630 [0,1,0,0,0,0|1,0,0]=2 4959 B13R1.404 CCCC(C)COCc1cccs1 34a_100000211240_100011216630 [0,1,0,0,0,0|1,1,0]=3 4960 B13R1.404 CCCC(C)COCc1ccn[nH]1 34a_100000688023_100000728653 [0,1,0,0,0,0|3,0,0]=4 4961 B13R1.404 CCCC(C)COCc1ccn[nH]1 7a_100000688023_100000728653 [0,1,0,0,0,0|3,0,0]=4 4962 B13R1.404 CCCC(C)COCc1ccno1 34a_100000740478_100011216630 [0,1,0,0,0,0|2,0,0]=3 4963 B13R1.404 CCCC(C)COCc1ccoc1 34a_100011215357_100011216630 [0,1,0,0,0,0|3,0,0]=4 4964 B13R1.404 CCCC(C)COCc1ccon1 34a_100000688023_100000234950 [0,1,0,0,0,0|3,0,0]=4 4965 B13R1.404 CCCC(C)COCc1ccon1 7a_100000688023_100000234950 [0,1,0,0,0,0|3,0,0]=4 4966 B13R1.404 CCCC(C)COCc1ccsc1 34a_100000688023_100011261437 [0,1,0,0,0,0|3,0,0]=4 4967 B13R1.404 CCCC(C)COCc1ccsc1 34a_100011215551_100011216630 [0,1,0,0,0,0|3,0,0]=4 4968 B13R1.404 CCCC(C)COCc1ccsc1 7a_100000688023_100011261437 [0,1,0,0,0,0|3,0,0]=4 4969 B13R1.404 CCCC(C)COCc1cncs1 34a_100000688023_100015185245 [0,1,0,0,0,0|2,1,0]=4 4970 B13R1.404 CCCC(C)COCc1cncs1 7a_100000688023_100015185245 [0,1,0,0,0,0|2,1,0]=4 4971 B13R1.404 CCCC(C)COCc1cscn1 34a_100000688023_100000205941 [0,1,0,0,0,0|3,0,0]=4 4972 B13R1.404 CCCC(C)COCc1cscn1 7a_100000688023_100000205941 [0,1,0,0,0,0|3,0,0]=4 4973 B13R1.404 CCCC(C)COCc1ncc[nH]1 34a_100000688023_100016991755 [0,1,0,0,0,0|3,0,0]=4 4974 B13R1.404 CCCC(C)COCc1ncc[nH]1 7a_100000688023_100000753453 [0,1,0,0,0,0|3,0,0]=4 4975 B13R1.404 CCCC(C)COCc1ncco1 34a_100000062594_100011216630 [0,1,0,0,0,0|2,0,0]=3 4976 B13R1.404 CCCC(C)COCc1ncco1 34a_100000688023_103436540062 [0,1,0,0,0,0|2,0,0]=3 4977 B13R1.404 CCCC(C)COCc1ncco1 7a_100000688023_103436540062 [0,1,0,0,0,0|2,0,0]=3 4978 B13R1.404 CCCC(C)COCc1nccs1 34a_100000688023_100015184050 [0,1,0,0,0,0|2,1,0]=4 4979 B13R1.404 CCCC(C)COCc1nccs1 7a_100000688023_100015184050 [0,1,0,0,0,0|2,1,0]=4 4980 B13R1.404 CCCC(C)COCn1cccn1 34a_100000731028_100011216630 [0,1,0,0,0,0|3,0,0]=4 4981 B13R1.404 CCCC(C)CSCc1c[nH]cn1 62a_100000707719_100011216630 [0,1,0,0,0,0|3,0,0]=4 4982 B13R1.404 CCCC(C)CSCc1c[nH]cn1 62a_100011216630_100000707719 [0,1,0,0,0,0|3,0,0]=4 4983 B13R1.404 CCCC(C)CSCc1ccn[nH]1 62a_100000728653_100011216630 [0,1,0,0,0,0|3,0,0]=4 4984 B13R1.404 CCCC(C)CSCc1ccn[nH]1 62a_100011216630_100000728653 [0,1,0,0,0,0|3,0,0]=4 4985 B13R1.404 CCCC(C)CSCc1ccon1 62a_100000234950_100011216630 [0,1,0,0,0,0|3,0,0]=4 4986 B13R1.404 CCCC(C)CSCc1ccon1 62a_100011216630_100000234950 [0,1,0,0,0,0|3,0,0]=4 4987 B13R1.404 CCCC(C)CSCc1ccsc1 62a_100011216630_100011233845 [0,1,0,0,0,0|3,0,0]=4 4988 B13R1.404 CCCC(C)CSCc1ccsc1 62a_100011261437_100011216630 [0,1,0,0,0,0|3,0,0]=4 4989 B13R1.404 CCCC(C)CSCc1cncs1 62a_100011216630_100015185245 [0,1,0,0,0,0|2,1,0]=4 4990 B13R1.404 CCCC(C)CSCc1cncs1 62a_100015185245_100011216630 [0,1,0,0,0,0|2,1,0]=4 4991 B13R1.404 CCCC(C)CSCc1cscn1 62a_100000205941_100011216630 [0,1,0,0,0,0|3,0,0]=4 4992 B13R1.404 CCCC(C)CSCc1cscn1 62a_100011216630_100000205941 [0,1,0,0,0,0|3,0,0]=4 4993 B13R1.404 CCCC(C)CSCc1ncc[nH]1 62a_100011216630_100016991755 [0,1,0,0,0,0|3,0,0]=4 4994 B13R1.404 CCCC(C)CSCc1ncc[nH]1 62a_100016991755_100011216630 [0,1,0,0,0,0|3,0,0]=4 4995 B13R1.404 CCCC(C)CSCc1ncco1 62a_100011216630_103436540062 [0,1,0,0,0,0|2,0,0]=3 4996 B13R1.404 CCCC(C)CSCc1ncco1 62a_103436540062_100011216630 [0,1,0,0,0,0|2,0,0]=3 4997 B13R1.404 CCCC(C)CSCc1nccs1 62a_100011216630_100015184050 [0,1,0,0,0,0|2,1,0]=4 4998 B13R1.404 CCCC(C)CSCc1nccs1 62a_100015184050_100011216630 [0,1,0,0,0,0|2,1,0]=4 4999 B13R1.404 CCCC(C)NCCc1c[nH]cn1 2230a_100000741246_100020628418 [0,1,0,0,0,0|3,0,0]=4 5000 B13R1.404 CCCC(C)NCCc1c[nH]cn1 270004a_100000755092_100000211909 [0,1,0,0,0,0|3,0,0]=4 5001 B13R1.404 CCCC(C)NCCc1ccco1 2230a_100000694680_100000766640 [0,1,0,0,0,0|1,0,0]=2 5002 B13R1.404 CCCC(C)NCCc1ccco1 270004a_100000694680_100000211909 [0,1,0,0,0,0|1,0,0]=2 5003 B13R1.404 CCCC(C)NCCc1ccco1 34a_100000694680_100000766640 [0,1,0,0,0,0|1,0,0]=2 5004 B13R1.404 CCCC(C)NCCc1cccs1 2230a_100000203755_100000766640 [0,1,0,0,0,0|1,1,0]=3 5005 B13R1.404 CCCC(C)NCCc1cccs1 2230a_100000741246_100000748579 [0,1,0,0,0,0|1,1,0]=3 5006 B13R1.404 CCCC(C)NCCc1cccs1 270004a_100000203755_100000211909 [0,1,0,0,0,0|1,1,0]=3 5007 B13R1.404 CCCC(C)NCCc1cccs1 34a_100000203755_100000766640 [0,1,0,0,0,0|1,1,0]=3 5008 B13R1.404 CCCC(C)NCCc1ccsc1 2230a_100000692642_100000766640 [0,1,0,0,0,0|3,0,0]=4 5009 B13R1.404 CCCC(C)NCCc1ccsc1 270004a_100000692642_100000211909 [0,1,0,0,0,0|3,0,0]=4 5010 B13R1.404 CCCC(C)NCCc1ccsc1 34a_100000692642_100000766640 [0,1,0,0,0,0|3,0,0]=4 5011 B13R1.404 CCCC(C)NCCc1cncs1 2230a_100016991637_100000766640 [0,1,0,0,0,0|2,1,0]=4 5012 B13R1.404 CCCC(C)NCCc1cncs1 270004a_100016991637_100000211909 [0,1,0,0,0,0|2,1,0]=4 5013 B13R1.404 CCCC(C)NCCc1ncc[nH]1 270004a_100000754300_100000211909 [0,1,0,0,0,0|3,0,0]=4 5014 B13R1.404 CCCC(C)NCCc1nccs1 2230a_100015186391_100000766640 [0,1,0,0,0,0|2,1,0]=4 5015 B13R1.404 CCCC(C)NCCc1nccs1 270004a_100015186391_100000211909 [0,1,0,0,0,0|2,1,0]=4 5016 B13R1.404 CCCC(C)NCCn1cccc1 2230a_100000741246_200009811947 [0,1,0,0,0,0|3,0,0]=4 5017 B13R1.404 CCCC(C)NCCn1cccc1 270004a_100011368172_100000211909 [0,1,0,0,0,0|3,0,0]=4 5018 B13R1.404 CCCC(C)NCCn1cccc1 34a_100011368172_100000766640 [0,1,0,0,0,0|3,0,0]=4 5019 B13R1.404 CCCC(C)NCCn1cccn1 2230a_100000741246_100000685285 [0,1,0,0,0,0|3,0,0]=4 5020 B13R1.404 CCCC(C)NCCn1cccn1 2230a_100011200920_100000766640 [0,1,0,0,0,0|3,0,0]=4 5021 B13R1.404 CCCC(C)NCCn1cccn1 270004a_100011200920_100000211909 [0,1,0,0,0,0|3,0,0]=4 5022 B13R1.404 CCCC(C)OCCc1c[nH]cn1 7a_100000764384_100020628418 [0,1,0,0,0,0|3,0,0]=4 5023 B13R1.404 CCCC(C)OCCc1cccs1 34a_100000764384_100000748579 [0,1,0,0,0,0|1,1,0]=3 5024 B13R1.404 CCCC(C)OCCc1cccs1 34a_100011216825_100000766640 [0,1,0,0,0,0|1,1,0]=3 5025 B13R1.404 CCCC(C)OCCc1cccs1 7a_100000764384_100000748579 [0,1,0,0,0,0|1,1,0]=3 5026 B13R1.404 CCCC(C)OCCc1cccs1 7a_100011216825_100000766640 [0,1,0,0,0,0|1,1,0]=3 5027 B13R1.404 CCCC(C)OCCc1ccsc1 34a_100000748821_100000766640 [0,1,0,0,0,0|3,0,0]=4 5028 B13R1.404 CCCC(C)OCCc1ncc[nH]1 34a_103549771195_100000766640 [0,1,0,0,0,0|3,0,0]=4 5029 B13R1.404 CCCC(C)OCCn1cccc1 34a_100000179382_100000766640 [0,1,0,0,0,0|3,0,0]=4 5030 B13R1.404 CCCC(C)OCCn1cccc1 7a_100000764384_200000035178 [0,1,0,0,0,0|3,0,0]=4 5031 B13R1.404 CCCC(C)OCCn1cccn1 34a_100000743371_100000766640 [0,1,0,0,0,0|3,0,0]=4 5032 B13R1.404 CCCC(C)OCCn1cccn1 34a_100000764384_100015204718 [0,1,0,0,0,0|3,0,0]=4 5033 B13R1.404 CCCC(C)OCCn1cccn1 7a_100000764384_100000685285 [0,1,0,0,0,0|3,0,0]=4 5034 B13R1.404 CCCC(C)SCCc1c[nH]cn1 62a_100000766640_100020628418 [0,1,0,0,0,0|3,0,0]=4 5035 B13R1.404 CCCC(C)SCCc1c[nH]cn1 62a_100020628418_100000766640 [0,1,0,0,0,0|3,0,0]=4 5036 B13R1.404 CCCC(C)SCCc1cccs1 62a_100000748579_100000766640 [0,1,0,0,0,0|1,1,0]=3 5037 B13R1.404 CCCC(C)SCCc1cccs1 62a_100000766640_100000748579 [0,1,0,0,0,0|1,1,0]=3 5038 B13R1.404 CCCC(C)SCCn1cccc1 62a_100000766640_200000035178 [0,1,0,0,0,0|3,0,0]=4 5039 B13R1.404 CCCC(C)SCCn1cccc1 62a_200009811947_100000766640 [0,1,0,0,0,0|3,0,0]=4 5040 B13R1.404 CCCC(C)SCCn1cccn1 62a_100000766640_100000685285 [0,1,0,0,0,0|3,0,0]=4 5041 B13R1.404 CCCC(C)SCCn1cccn1 62a_100015204718_100000766640 [0,1,0,0,0,0|3,0,0]=4 5042 B13R1.404 CCCN(C)CC=Cc1ccco1 270004a_100000747261_100000185671 [0,1,0,0,0,0|1,0,2]=4 5043 B13R1.404 CCCN(C)CCCc1cccs1 2230a_100000747261_100010992444 [0,1,0,0,0,0|1,1,0]=3 5044 B13R1.404 CCCN(C)CCCc1cccs1 269982a_100000747261_100010992444 [0,1,0,0,0,0|1,1,0]=3 5045 B13R1.404 CCCN(C)CCCn1cccc1 2230a_100000747261_200009814367 [0,1,0,0,0,0|3,0,0]=4 5046 B13R1.404 CCCN(C)CCCn1cccc1 269982a_100000747261_200009814367 [0,1,0,0,0,0|3,0,0]=4 5047 B13R1.404 CCCN(C)CCCn1cccn1 2230a_100000747261_100000739983 [0,1,0,0,0,0|3,0,0]=4 5048 B13R1.404 CCCN(C)CCCn1cccn1 269982a_100000747261_100000739983 [0,1,0,0,0,0|3,0,0]=4 5049 B13R1.404 CCC[C@H](N)COCc1c[nH]cn1 34a_100000732646_100000707719 [0,1,0,0,0,0|3,0,0]=4 5050 B13R1.404 CCC[C@H](N)COCc1ccn[nH]1 34a_100000732646_100000728653 [0,1,0,0,0,0|3,0,0]=4 5051 B13R1.404 CCC[C@H](N)COCc1ccon1 34a_100000732646_100000234950 [0,1,0,0,0,0|3,0,0]=4 5052 B13R1.404 CCC[C@H](N)COCc1ccsc1 34a_100000732646_100011261437 [0,1,0,0,0,0|3,0,0]=4 5053 B13R1.404 CCC[C@H](N)COCc1cncs1 34a_100000732646_100015185245 [0,1,0,0,0,0|2,1,0]=4 5054 B13R1.404 CCC[C@H](N)COCc1cscn1 34a_100000732646_100000205941 [0,1,0,0,0,0|3,0,0]=4 5055 B13R1.404 CCC[C@H](N)COCc1ncc[nH]1 34a_100000732646_100016991755 [0,1,0,0,0,0|3,0,0]=4 5056 B13R1.404 CCC[C@H](N)COCc1ncco1 34a_100000732646_103436540062 [0,1,0,0,0,0|2,0,0]=3 5057 B13R1.404 CCC[C@H](N)COCc1nccs1 34a_100000732646_100015184050 [0,1,0,0,0,0|2,1,0]=4 5058 B13R1.404 CCNC(=O)CCCc1cccs1 11a_100015525214_100000184482 [0,1,0,0,0,0|1,1,1]=4 5059 B13R1.404 CCNC(=O)CCCc1cccs1 240690a_100015525214_100000184482 [0,1,0,0,0,0|1,1,1]=4 5060 B13R1.404 CCNC(=O)CCCc1cccs1 527a_100015525214_100000184482 [0,1,0,0,0,0|1,1,1]=4 5061 B13R1.404 CCNC(=O)CCSc1ccco1 62a_100000737597_100009814098 [0,1,0,0,0,0|2,0,1]=4 5062 B13R1.404 CCNC(=O)CCSc1ccco1 62a_100009814098_100000737597 [0,1,0,0,0,0|2,0,1]=4 5063 B13R1.404 CCNC(=O)CNCc1ccco1 2230a_100000185738_100000183381 [0,1,0,0,0,0|2,0,1]=4 5064 B13R1.404 CCNC(=O)CNCc1ccco1 270004a_100016988866_100000186105 [0,1,0,0,0,0|2,0,1]=4 5065 B13R1.404 CCNC(=O)CNCc1ccco1 34a_100000185738_100000183381 [0,1,0,0,0,0|2,0,1]=4 5066 B13R1.404 CCNC(=O)COCc1ccco1 34a_100000210059_100000183381 [0,1,0,0,0,0|2,0,1]=4 5067 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100000694680_100015525214 [0,1,0,0,0,0|2,0,1]=4 5068 B13R1.404 CCNC(=O)NCCc1ccco1 2708a_100015525214_100000694680 [0,1,0,0,0,0|2,0,1]=4 5069 B13R1.404 CCNC(=O)NCCc1ccco1 273464a_100000694680_100015525214 [0,1,0,0,0,0|2,0,1]=4 5070 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100000694680_100015525214 [0,1,0,0,0,0|2,0,1]=4 5071 B13R1.404 CCNC(=O)NCCc1ccco1 512a_100015525214_100000694680 [0,1,0,0,0,0|2,0,1]=4 5072 B13R1.404 CCNC(C)CSCc1ccco1 270004a_100015525214_200000149978 [0,1,0,0,0,0|2,0,0]=3 5073 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100000765890_100009814098 [0,1,0,0,0,0|2,0,1]=4 5074 B13R1.404 CCOC(=O)CCSc1ccco1 62a_100009814098_100000765890 [0,1,0,0,0,0|2,0,1]=4 5075 B13R1.404 CCOC(=O)CNCc1ccco1 2230a_100000185738_100000188475 [0,1,0,0,0,0|2,0,1]=4 5076 B13R1.404 CCOC(=O)CNCc1ccco1 34a_100000185738_100000188475 [0,1,0,0,0,0|2,0,1]=4 5077 B13R1.404 CCOC(=O)COCc1ccco1 34a_100000210059_100000188475 [0,1,0,0,0,0|2,0,1]=4 5078 B13R1.404 CN(CCO)CCCc1cccs1 2230a_100000210263_100010992444 [0,1,0,0,0,0|2,1,0]=4 5079 B13R1.404 CN(CCO)CCCc1cccs1 269982a_100000210263_100010992444 [0,1,0,0,0,0|2,1,0]=4 5080 B13R1.404 COCC(=O)CCCc1cccs1 1458a_100000210968_100010992444 [0,1,0,0,0,0|1,1,1]=4 5081 B13R1.404 COCC(=O)NCCc1ccco1 11a_100000694680_100000210968 [0,1,0,0,0,0|2,0,1]=4 5082 B13R1.404 COCC(=O)NCCc1ccco1 1626a_100000694680_100000210968 [0,1,0,0,0,0|2,0,1]=4 5083 B13R1.404 COCC(=O)NCCc1ccco1 240690a_100000694680_100000210968 [0,1,0,0,0,0|2,0,1]=4 5084 B13R1.404 COCC(=O)NCCc1ccco1 527a_100000694680_100000210968 [0,1,0,0,0,0|2,0,1]=4 5085 B13R1.404 COCC(C)NCCc1ccco1 2230a_100000694680_100000765312 [0,1,0,0,0,0|2,0,0]=3 5086 B13R1.404 COCC(C)NCCc1ccco1 270004a_100000694680_100000749346 [0,1,0,0,0,0|2,0,0]=3 5087 B13R1.404 COCC(C)NCCc1ccco1 34a_100000694680_100000765312 [0,1,0,0,0,0|2,0,0]=3 5088 B13R1.404 COCC(C)NCCc1cccs1 2230a_100000203755_100000765312 [0,1,0,0,0,0|2,1,0]=4 5089 B13R1.404 COCC(C)NCCc1cccs1 270004a_100000203755_100000749346 [0,1,0,0,0,0|2,1,0]=4 5090 B13R1.404 COCC(C)NCCc1cccs1 34a_100000203755_100000765312 [0,1,0,0,0,0|2,1,0]=4 5091 B13R1.404 COCC(C)OCCc1cccs1 34a_100011216825_100000765312 [0,1,0,0,0,0|2,1,0]=4 5092 B13R1.404 COCC(C)OCCc1cccs1 7a_100011216825_100000765312 [0,1,0,0,0,0|2,1,0]=4 5093 B13R1.404 COCC(C)SCCc1cccs1 62a_100000748579_100000765312 [0,1,0,0,0,0|2,1,0]=4 5094 B13R1.404 COCC(C)SCCc1cccs1 62a_100000765312_100000748579 [0,1,0,0,0,0|2,1,0]=4 5095 B13R1.404 COCC(N)COCc1ncco1 34a_100000724102_103436540062 [0,1,0,0,0,0|3,0,0]=4 5096 B13R1.404 COCC(O)CNCc1ccco1 207a_100000756049_100000186105 [0,1,0,0,0,0|2,0,0]=3 5097 B13R1.404 COCC(O)CNCc1ccco1 270004a_100000756049_100000186105 [0,1,0,0,0,0|2,0,0]=3 5098 B13R1.404 COCC(O)CNCc1ccco1 34a_100000185738_100011215053 [0,1,0,0,0,0|2,0,0]=3 5099 B13R1.404 COCC(O)CNCc1cccs1 207a_100000756049_100000209959 [0,1,0,0,0,0|2,1,0]=4 5100 B13R1.404 COCC(O)CNCc1cccs1 270004a_100000756049_100000209959 [0,1,0,0,0,0|2,1,0]=4 5101 B13R1.404 COCC(O)CNCc1cnco1 270004a_100000756049_100000064291 [0,1,0,0,0,0|3,0,0]=4 5102 B13R1.404 COCC(O)CNCc1ncco1 2230a_100000756049_103436540062 [0,1,0,0,0,0|3,0,0]=4 5103 B13R1.404 COCC(O)CNCc1ncco1 270004a_100000756049_100000064290 [0,1,0,0,0,0|3,0,0]=4 5104 B13R1.404 COCC(O)CNCc1ncco1 34a_100000756049_103436540062 [0,1,0,0,0,0|3,0,0]=4 5105 B13R1.404 COCC(O)COCc1ccco1 34a_100000210059_100011215053 [0,1,0,0,0,0|2,0,0]=3 5106 B13R1.404 COCC(O)COCc1cccs1 34a_100000211240_100011215053 [0,1,0,0,0,0|2,1,0]=4 5107 B13R1.404 COCC(O)COCc1ccno1 34a_100000740478_100011215053 [0,1,0,0,0,0|3,0,0]=4 5108 B13R1.404 COCC(O)COCc1ncco1 34a_100000062594_100011215053 [0,1,0,0,0,0|3,0,0]=4 5109 B13R1.404 COCC(O)CSCc1ncco1 62a_100011215053_103436540062 [0,1,0,0,0,0|3,0,0]=4 5110 B13R1.404 COCC(O)CSCc1ncco1 62a_103436540062_100011215053 [0,1,0,0,0,0|3,0,0]=4 5111 B13R1.404 COC[C@@H](C)NCCc1cccs1 2230a_100000764878_100000748579 [0,1,0,0,0,0|2,1,0]=4 5112 B13R1.404 COC[C@@H](C)OCCc1cccs1 34a_100011934205_100000748579 [0,1,0,0,0,0|2,1,0]=4 5113 B13R1.404 CSCC(=O)CCCc1cccs1 1458a_100000184570_100010992444 [0,1,0,0,0,0|1,1,1]=4 5114 B13R1.404 CSCC(=O)NCCc1ccco1 11a_100000694680_100000184570 [0,1,0,0,0,0|2,0,1]=4 5115 B13R1.404 CSCC(=O)NCCc1ccco1 1626a_100000694680_100000184570 [0,1,0,0,0,0|2,0,1]=4 5116 B13R1.404 CSCC(=O)NCCc1ccco1 240690a_100000694680_100000184570 [0,1,0,0,0,0|2,0,1]=4 5117 B13R1.404 CSCC(=O)NCCc1ccco1 527a_100000694680_100000184570 [0,1,0,0,0,0|2,0,1]=4 5118 B13R1.404 CSCC(C)NCCc1ccco1 270004a_100000694680_100011216314 [0,1,0,0,0,0|2,0,0]=3 5119 B13R1.404 CSCC(C)NCCc1cccs1 270004a_100000203755_100011216314 [0,1,0,0,0,0|2,1,0]=4 5120 B13R1.404 C[C@H](CCO)NCCc1cccs1 2230a_100000706166_100000748579 [0,1,0,0,0,0|2,1,0]=4 5121 B13R1.404 C[C@H](CCO)NCCc1cccs1 34a_100000706166_100000748579 [0,1,0,0,0,0|2,1,0]=4 5122 B13R1.404 N#CC[C@H](O)CNCc1ccco1 2230a_100000185738_100000001066 [0,1,0,0,0,0|2,0,1]=4 5123 B13R1.404 O=C(CCF)CCCc1cccs1 1458a_100000184482_100011217306 [0,1,0,0,0,0|1,1,1]=4 5124 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100000184482_100000211926 [0,1,0,0,0,0|1,1,1]=4 5125 B13R1.404 O=C(CCO)CCCc1cccs1 1458a_100011216618_100010992444 [0,1,0,0,0,0|1,1,1]=4 5126 B13R1.404 O=C(CCO)NCCc1ccco1 240690a_100000694680_100011216618 [0,1,0,0,0,0|2,0,1]=4 5127 B13R1.536 C=CC(O)CNCCc1ccco1 2230a_100000694680_100000730141 [0,1,0,0,0,0|1,0,2]=4 5128 B13R1.536 C=CC(O)CNCCc1ccco1 34a_100000694680_100000730141 [0,1,0,0,0,0|1,0,2]=4 5129 B13R1.536 CC(CF)OCCCc1cccs1 34a_100016041109_100010992444 [0,1,0,0,0,0|2,1,0]=4 5130 B13R1.536 CC(CF)OCCCc1cccs1 7a_100016041109_100010992444 [0,1,0,0,0,0|2,1,0]=4 5131 B13R1.536 CC(CN)COCCc1cccs1 34a_100000744482_100000748579 [0,1,0,0,0,0|2,1,0]=4 5132 B13R1.536 CC(CN)OCCCc1cccs1 34a_100000210904_100010992444 [0,1,0,0,0,0|2,1,0]=4 5133 B13R1.536 CC(CO)CCNCc1ccco1 207a_106354213184_100000186105 [0,1,0,0,0,0|2,0,0]=3 5134 B13R1.536 CC(CO)CCNCc1ccco1 270004a_106354213184_100000186105 [0,1,0,0,0,0|2,0,0]=3 5135 B13R1.536 CC(CO)CCNCc1cccs1 207a_106354213184_100000209959 [0,1,0,0,0,0|2,1,0]=4 5136 B13R1.536 CC(CO)CCNCc1cccs1 270004a_106354213184_100000209959 [0,1,0,0,0,0|2,1,0]=4 5137 B13R1.536 CC(CO)CCNCc1cnco1 270004a_106354213184_100000064291 [0,1,0,0,0,0|3,0,0]=4 5138 B13R1.536 CC(CO)CCNCc1ncco1 2230a_106354213184_103436540062 [0,1,0,0,0,0|3,0,0]=4 5139 B13R1.536 CC(CO)CCNCc1ncco1 270004a_106354213184_100000064290 [0,1,0,0,0,0|3,0,0]=4 5140 B13R1.536 CC(CO)CCNCc1ncco1 34a_106354213184_103436540062 [0,1,0,0,0,0|3,0,0]=4 5141 B13R1.536 CC(CO)CNCCc1cccs1 34a_100000744482_100000748579 [0,1,0,0,0,0|2,1,0]=4 5142 B13R1.536 CC(CO)OCCCc1cccs1 34a_100011713143_100012180447 [0,1,0,0,0,0|2,1,0]=4 5143 B13R1.536 CC(CO)OCCCc1cccs1 7a_100011713143_100012180447 [0,1,0,0,0,0|2,1,0]=4 5144 B13R1.536 CC(CO)SCCCc1cccs1 62a_100012180447_100010992444 [0,1,0,0,0,0|2,1,0]=4 5145 B13R1.536 CCC(=O)CCCCc1cccs1 1458a_100011216592_100000210202 [0,1,0,0,0,0|0,1,1]=3 5146 B13R1.536 CCC(=O)COCCc1cccs1 34a_100000725409_100000748579 [0,1,0,0,0,0|1,1,1]=4 5147 B13R1.536 CCC(=O)COCCc1cccs1 7a_100011216825_100000747405 [0,1,0,0,0,0|1,1,1]=4 5148 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000747405_100000748579 [0,1,0,0,0,0|1,1,1]=4 5149 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000748579_100000747405 [0,1,0,0,0,0|1,1,1]=4 5150 B13R1.536 CCC(C)CCNCc1c[nH]cn1 2230a_100020591266_100000707719 [0,1,0,0,0,0|3,0,0]=4 5151 B13R1.536 CCC(C)CCNCc1cc[nH]n1 207a_100020591266_100000738523 [0,1,0,0,0,0|3,0,0]=4 5152 B13R1.536 CCC(C)CCNCc1cc[nH]n1 270004a_100020591266_100000738523 [0,1,0,0,0,0|3,0,0]=4 5153 B13R1.536 CCC(C)CCNCc1ccco1 207a_100020591266_100000186105 [0,1,0,0,0,0|1,0,0]=2 5154 B13R1.536 CCC(C)CCNCc1ccco1 270004a_100020591266_100000186105 [0,1,0,0,0,0|1,0,0]=2 5155 B13R1.536 CCC(C)CCNCc1cccs1 207a_100020591266_100000209959 [0,1,0,0,0,0|1,1,0]=3 5156 B13R1.536 CCC(C)CCNCc1cccs1 270004a_100020591266_100000209959 [0,1,0,0,0,0|1,1,0]=3 5157 B13R1.536 CCC(C)CCNCc1ccn[nH]1 2230a_100020591266_100000728653 [0,1,0,0,0,0|3,0,0]=4 5158 B13R1.536 CCC(C)CCNCc1ccoc1 207a_100020591266_100011215517 [0,1,0,0,0,0|3,0,0]=4 5159 B13R1.536 CCC(C)CCNCc1ccoc1 270004a_100020591266_100011215517 [0,1,0,0,0,0|3,0,0]=4 5160 B13R1.536 CCC(C)CCNCc1ccon1 2230a_100020591266_100000234950 [0,1,0,0,0,0|3,0,0]=4 5161 B13R1.536 CCC(C)CCNCc1ccsc1 207a_100020591266_100000188534 [0,1,0,0,0,0|3,0,0]=4 5162 B13R1.536 CCC(C)CCNCc1ccsc1 2230a_100020591266_100011261437 [0,1,0,0,0,0|3,0,0]=4 5163 B13R1.536 CCC(C)CCNCc1ccsc1 270004a_100020591266_100000188534 [0,1,0,0,0,0|3,0,0]=4 5164 B13R1.536 CCC(C)CCNCc1cnc[nH]1 207a_100020591266_100000742939 [0,1,0,0,0,0|3,0,0]=4 5165 B13R1.536 CCC(C)CCNCc1cnco1 270004a_100020591266_100000064291 [0,1,0,0,0,0|2,0,0]=3 5166 B13R1.536 CCC(C)CCNCc1cncs1 207a_100020591266_100000749870 [0,1,0,0,0,0|2,1,0]=4 5167 B13R1.536 CCC(C)CCNCc1cncs1 2230a_100020591266_100015185245 [0,1,0,0,0,0|2,1,0]=4 5168 B13R1.536 CCC(C)CCNCc1cncs1 270004a_100020591266_100000749870 [0,1,0,0,0,0|2,1,0]=4 5169 B13R1.536 CCC(C)CCNCc1cocn1 270004a_100020591266_100000050382 [0,1,0,0,0,0|3,0,0]=4 5170 B13R1.536 CCC(C)CCNCc1cscn1 207a_100020591266_100000743575 [0,1,0,0,0,0|3,0,0]=4 5171 B13R1.536 CCC(C)CCNCc1cscn1 2230a_100020591266_100000205941 [0,1,0,0,0,0|3,0,0]=4 5172 B13R1.536 CCC(C)CCNCc1cscn1 270004a_100020591266_100000743575 [0,1,0,0,0,0|3,0,0]=4 5173 B13R1.536 CCC(C)CCNCc1ncc[nH]1 207a_100020591266_100000743867 [0,1,0,0,0,0|3,0,0]=4 5174 B13R1.536 CCC(C)CCNCc1ncc[nH]1 2230a_100020591266_100016991755 [0,1,0,0,0,0|3,0,0]=4 5175 B13R1.536 CCC(C)CCNCc1ncco1 2230a_100020591266_103436540062 [0,1,0,0,0,0|2,0,0]=3 5176 B13R1.536 CCC(C)CCNCc1ncco1 270004a_100020591266_100000064290 [0,1,0,0,0,0|2,0,0]=3 5177 B13R1.536 CCC(C)CCNCc1nccs1 207a_100020591266_100000750902 [0,1,0,0,0,0|2,1,0]=4 5178 B13R1.536 CCC(C)CCNCc1nccs1 2230a_100020591266_100015184050 [0,1,0,0,0,0|2,1,0]=4 5179 B13R1.536 CCC(C)CCNCc1nccs1 270004a_100020591266_100000750902 [0,1,0,0,0,0|2,1,0]=4 5180 B13R1.536 CCC(C)CCOCc1ccn[nH]1 7a_100011215188_100000728653 [0,1,0,0,0,0|3,0,0]=4 5181 B13R1.536 CCC(C)CCOCc1ccon1 7a_100011215188_100000234950 [0,1,0,0,0,0|3,0,0]=4 5182 B13R1.536 CCC(C)CCOCc1ccsc1 7a_100011215188_100011261437 [0,1,0,0,0,0|3,0,0]=4 5183 B13R1.536 CCC(C)CCOCc1cncs1 7a_100011215188_100015185245 [0,1,0,0,0,0|2,1,0]=4 5184 B13R1.536 CCC(C)CCOCc1cscn1 7a_100011215188_100000205941 [0,1,0,0,0,0|3,0,0]=4 5185 B13R1.536 CCC(C)CCOCc1ncc[nH]1 7a_100011215188_100000753453 [0,1,0,0,0,0|3,0,0]=4 5186 B13R1.536 CCC(C)CCOCc1ncco1 7a_100011215188_103436540062 [0,1,0,0,0,0|2,0,0]=3 5187 B13R1.536 CCC(C)CCOCc1nccs1 7a_100011215188_100015184050 [0,1,0,0,0,0|2,1,0]=4 5188 B13R1.536 CCC(C)CNCCc1c[nH]cn1 2230a_100020588543_100020628418 [0,1,0,0,0,0|3,0,0]=4 5189 B13R1.536 CCC(C)CNCCc1c[nH]cn1 270004a_100000755092_100000243153 [0,1,0,0,0,0|3,0,0]=4 5190 B13R1.536 CCC(C)CNCCc1ccco1 2230a_100000694680_100000748023 [0,1,0,0,0,0|1,0,0]=2 5191 B13R1.536 CCC(C)CNCCc1ccco1 270004a_100000694680_100000243153 [0,1,0,0,0,0|1,0,0]=2 5192 B13R1.536 CCC(C)CNCCc1ccco1 34a_100000694680_100000748023 [0,1,0,0,0,0|1,0,0]=2 5193 B13R1.536 CCC(C)CNCCc1cccs1 2230a_100000203755_100000748023 [0,1,0,0,0,0|1,1,0]=3 5194 B13R1.536 CCC(C)CNCCc1cccs1 2230a_100020588543_100000748579 [0,1,0,0,0,0|1,1,0]=3 5195 B13R1.536 CCC(C)CNCCc1cccs1 270004a_100000203755_100000243153 [0,1,0,0,0,0|1,1,0]=3 5196 B13R1.536 CCC(C)CNCCc1cccs1 34a_100000203755_100000748023 [0,1,0,0,0,0|1,1,0]=3 5197 B13R1.536 CCC(C)CNCCc1ccsc1 2230a_100000692642_100000748023 [0,1,0,0,0,0|3,0,0]=4 5198 B13R1.536 CCC(C)CNCCc1ccsc1 270004a_100000692642_100000243153 [0,1,0,0,0,0|3,0,0]=4 5199 B13R1.536 CCC(C)CNCCc1ccsc1 34a_100000692642_100000748023 [0,1,0,0,0,0|3,0,0]=4 5200 B13R1.536 CCC(C)CNCCc1cncs1 2230a_100016991637_100000748023 [0,1,0,0,0,0|2,1,0]=4 5201 B13R1.536 CCC(C)CNCCc1cncs1 270004a_100016991637_100000243153 [0,1,0,0,0,0|2,1,0]=4 5202 B13R1.536 CCC(C)CNCCc1ncc[nH]1 270004a_100000754300_100000243153 [0,1,0,0,0,0|3,0,0]=4 5203 B13R1.536 CCC(C)CNCCc1nccs1 2230a_100015186391_100000748023 [0,1,0,0,0,0|2,1,0]=4 5204 B13R1.536 CCC(C)CNCCc1nccs1 270004a_100015186391_100000243153 [0,1,0,0,0,0|2,1,0]=4 5205 B13R1.536 CCC(C)CNCCn1cccc1 2230a_100020588543_200009811947 [0,1,0,0,0,0|3,0,0]=4 5206 B13R1.536 CCC(C)CNCCn1cccc1 270004a_100011368172_100000243153 [0,1,0,0,0,0|3,0,0]=4 5207 B13R1.536 CCC(C)CNCCn1cccc1 34a_100011368172_100000748023 [0,1,0,0,0,0|3,0,0]=4 5208 B13R1.536 CCC(C)CNCCn1cccn1 2230a_100011200920_100000748023 [0,1,0,0,0,0|3,0,0]=4 5209 B13R1.536 CCC(C)CNCCn1cccn1 2230a_100020588543_100000685285 [0,1,0,0,0,0|3,0,0]=4 5210 B13R1.536 CCC(C)CNCCn1cccn1 270004a_100011200920_100000243153 [0,1,0,0,0,0|3,0,0]=4 5211 B13R1.536 CCC(C)COCCc1cccs1 34a_100011216825_100000748023 [0,1,0,0,0,0|1,1,0]=3 5212 B13R1.536 CCC(C)COCCc1cccs1 7a_100011216825_100000748023 [0,1,0,0,0,0|1,1,0]=3 5213 B13R1.536 CCC(C)COCCc1ccsc1 34a_100000748821_100000748023 [0,1,0,0,0,0|3,0,0]=4 5214 B13R1.536 CCC(C)COCCc1ncc[nH]1 34a_103549771195_100000748023 [0,1,0,0,0,0|3,0,0]=4 5215 B13R1.536 CCC(C)COCCn1cccc1 34a_100000179382_100000748023 [0,1,0,0,0,0|3,0,0]=4 5216 B13R1.536 CCC(C)COCCn1cccn1 34a_100000743371_100000748023 [0,1,0,0,0,0|3,0,0]=4 5217 B13R1.536 CCC(C)CSCCc1c[nH]cn1 62a_100000748023_100020628418 [0,1,0,0,0,0|3,0,0]=4 5218 B13R1.536 CCC(C)CSCCc1c[nH]cn1 62a_100020628418_100000748023 [0,1,0,0,0,0|3,0,0]=4 5219 B13R1.536 CCC(C)CSCCc1cccs1 62a_100000748023_100000748579 [0,1,0,0,0,0|1,1,0]=3 5220 B13R1.536 CCC(C)CSCCc1cccs1 62a_100000748579_100000748023 [0,1,0,0,0,0|1,1,0]=3 5221 B13R1.536 CCC(C)CSCCn1cccc1 62a_100000748023_200000035178 [0,1,0,0,0,0|3,0,0]=4 5222 B13R1.536 CCC(C)CSCCn1cccc1 62a_200009811947_100000748023 [0,1,0,0,0,0|3,0,0]=4 5223 B13R1.536 CCC(C)CSCCn1cccn1 62a_100000748023_100000685285 [0,1,0,0,0,0|3,0,0]=4 5224 B13R1.536 CCC(C)CSCCn1cccn1 62a_100015204718_100000748023 [0,1,0,0,0,0|3,0,0]=4 5225 B13R1.536 CCC(C)NCC=Cc1ccco1 270004a_100000209981_100000185671 [0,1,0,0,0,0|1,0,2]=4 5226 B13R1.536 CCC(C)NCCCc1cccs1 2230a_100000209981_100010992444 [0,1,0,0,0,0|1,1,0]=3 5227 B13R1.536 CCC(C)NCCCn1cccc1 2230a_100000209981_200009814367 [0,1,0,0,0,0|3,0,0]=4 5228 B13R1.536 CCC(C)NCCCn1cccn1 2230a_100000209981_100000739983 [0,1,0,0,0,0|3,0,0]=4 5229 B13R1.536 CCC(C)OCCCc1cccs1 34a_100011713143_100011215416 [0,1,0,0,0,0|1,1,0]=3 5230 B13R1.536 CCC(C)OCCCc1cccs1 7a_100000210228_100010992444 [0,1,0,0,0,0|1,1,0]=3 5231 B13R1.536 CCC(C)OCCCc1cccs1 7a_100011713143_100000758301 [0,1,0,0,0,0|1,1,0]=3 5232 B13R1.536 CCC(C)OCCCc1ccsc1 34a_200000699776_100011215416 [0,1,0,0,0,0|3,0,0]=4 5233 B13R1.536 CCC(C)OCCCc1ccsc1 7a_200000699776_100000758301 [0,1,0,0,0,0|3,0,0]=4 5234 B13R1.536 CCC(C)OCCCn1cccc1 34a_100000179399_100011215416 [0,1,0,0,0,0|3,0,0]=4 5235 B13R1.536 CCC(C)OCCCn1cccc1 7a_100000179399_100000758301 [0,1,0,0,0,0|3,0,0]=4 5236 B13R1.536 CCC(C)OCCCn1cccc1 7a_100000210228_200009814367 [0,1,0,0,0,0|3,0,0]=4 5237 B13R1.536 CCC(C)OCCCn1cccn1 34a_100000753614_100011215416 [0,1,0,0,0,0|3,0,0]=4 5238 B13R1.536 CCC(C)OCCCn1cccn1 7a_100000210228_100000739983 [0,1,0,0,0,0|3,0,0]=4 5239 B13R1.536 CCC(C)SCCCc1cccs1 62a_100000758301_100010992444 [0,1,0,0,0,0|1,1,0]=3 5240 B13R1.536 CCC(C)SCCCc1cccs1 62a_100010992444_100000758301 [0,1,0,0,0,0|1,1,0]=3 5241 B13R1.536 CCC(C)SCCCn1cccc1 62a_100000758301_200009814367 [0,1,0,0,0,0|3,0,0]=4 5242 B13R1.536 CCC(C)SCCCn1cccc1 62a_200009814367_100000758301 [0,1,0,0,0,0|3,0,0]=4 5243 B13R1.536 CCC(C)SCCCn1cccn1 62a_100000739983_100000758301 [0,1,0,0,0,0|3,0,0]=4 5244 B13R1.536 CCC(C)SCCCn1cccn1 62a_100000758301_100000739983 [0,1,0,0,0,0|3,0,0]=4 5245 B13R1.536 CCC(O)CNCCc1c[nH]cn1 2230a_100011218483_100020628418 [0,1,0,0,0,0|3,0,0]=4 5246 B13R1.536 CCC(O)CNCCc1ccco1 2230a_100000694680_100011218378 [0,1,0,0,0,0|1,0,0]=2 5247 B13R1.536 CCC(O)CNCCc1ccco1 34a_100000694680_100011218378 [0,1,0,0,0,0|1,0,0]=2 5248 B13R1.536 CCC(O)CNCCc1cccs1 2230a_100000203755_100011218378 [0,1,0,0,0,0|1,1,0]=3 5249 B13R1.536 CCC(O)CNCCc1cccs1 2230a_100011218483_100000748579 [0,1,0,0,0,0|1,1,0]=3 5250 B13R1.536 CCC(O)CNCCc1cccs1 34a_100000203755_100011218378 [0,1,0,0,0,0|1,1,0]=3 5251 B13R1.536 CCC(O)CNCCc1ccsc1 2230a_100000692642_100011218378 [0,1,0,0,0,0|3,0,0]=4 5252 B13R1.536 CCC(O)CNCCc1ccsc1 34a_100000692642_100011218378 [0,1,0,0,0,0|3,0,0]=4 5253 B13R1.536 CCC(O)CNCCc1cncs1 2230a_100016991637_100011218378 [0,1,0,0,0,0|2,1,0]=4 5254 B13R1.536 CCC(O)CNCCc1nccs1 2230a_100015186391_100011218378 [0,1,0,0,0,0|2,1,0]=4 5255 B13R1.536 CCC(O)CNCCn1cccc1 2230a_100011218483_200009811947 [0,1,0,0,0,0|3,0,0]=4 5256 B13R1.536 CCC(O)CNCCn1cccc1 34a_100011368172_100011218378 [0,1,0,0,0,0|3,0,0]=4 5257 B13R1.536 CCC(O)CNCCn1cccn1 2230a_100011200920_100011218378 [0,1,0,0,0,0|3,0,0]=4 5258 B13R1.536 CCC(O)CNCCn1cccn1 2230a_100011218483_100000685285 [0,1,0,0,0,0|3,0,0]=4 5259 B13R1.536 CCC(O)CNN=Cc1ccco1 4a_100015206393_100000186105 [0,1,0,0,0,0|2,0,1]=4 5260 B13R1.536 CCC(O)COCCc1cccs1 34a_100011216825_100011218378 [0,1,0,0,0,0|1,1,0]=3 5261 B13R1.536 CCC(O)COCCc1cccs1 7a_100011216825_100011218378 [0,1,0,0,0,0|1,1,0]=3 5262 B13R1.536 CCC(O)COCCc1ccsc1 34a_100000748821_100011218378 [0,1,0,0,0,0|3,0,0]=4 5263 B13R1.536 CCC(O)COCCc1ncc[nH]1 34a_103549771195_100011218378 [0,1,0,0,0,0|3,0,0]=4 5264 B13R1.536 CCC(O)COCCn1cccc1 34a_100000179382_100011218378 [0,1,0,0,0,0|3,0,0]=4 5265 B13R1.536 CCC(O)COCCn1cccn1 34a_100000743371_100011218378 [0,1,0,0,0,0|3,0,0]=4 5266 B13R1.536 CCC(O)CSCCc1c[nH]cn1 62a_100011218378_100020628418 [0,1,0,0,0,0|3,0,0]=4 5267 B13R1.536 CCC(O)CSCCc1c[nH]cn1 62a_100020628418_100011218378 [0,1,0,0,0,0|3,0,0]=4 5268 B13R1.536 CCC(O)CSCCc1cccs1 62a_100000748579_100011218378 [0,1,0,0,0,0|1,1,0]=3 5269 B13R1.536 CCC(O)CSCCc1cccs1 62a_100011218378_100000748579 [0,1,0,0,0,0|1,1,0]=3 5270 B13R1.536 CCC(O)CSCCn1cccc1 62a_100011218378_200000035178 [0,1,0,0,0,0|3,0,0]=4 5271 B13R1.536 CCC(O)CSCCn1cccc1 62a_200009811947_100011218378 [0,1,0,0,0,0|3,0,0]=4 5272 B13R1.536 CCC(O)CSCCn1cccn1 62a_100011218378_100000685285 [0,1,0,0,0,0|3,0,0]=4 5273 B13R1.536 CCC(O)CSCCn1cccn1 62a_100015204718_100011218378 [0,1,0,0,0,0|3,0,0]=4 5274 B13R1.536 CCN(C)CCCSc1ccco1 62a_100009814098_100015186262 [0,1,0,0,0,0|2,0,0]=3 5275 B13R1.536 CCN(C)CCCSc1cccs1 62a_100011215356_100015186262 [0,1,0,0,0,0|2,1,0]=4 5276 B13R1.536 CCN(C)CCCSc1cnco1 62a_100020591547_100015186262 [0,1,0,0,0,0|3,0,0]=4 5277 B13R1.536 CCN(C)CCCSc1ncco1 62a_100011787736_100015186262 [0,1,0,0,0,0|3,0,0]=4 5278 B13R1.536 CC[C@H](C)CNCCc1ccco1 2230a_100000694680_100009816398 [0,1,0,0,0,0|1,0,0]=2 5279 B13R1.536 CC[C@H](C)CNCCc1ccco1 34a_100000694680_100009816398 [0,1,0,0,0,0|1,0,0]=2 5280 B13R1.536 CC[C@H](C)CNCCc1cccs1 2230a_100000203755_100009816398 [0,1,0,0,0,0|1,1,0]=3 5281 B13R1.536 CC[C@H](C)CNCCc1cccs1 34a_100000203755_100009816398 [0,1,0,0,0,0|1,1,0]=3 5282 B13R1.536 CC[C@H](C)CNCCc1ccsc1 2230a_100000692642_100009816398 [0,1,0,0,0,0|3,0,0]=4 5283 B13R1.536 CC[C@H](C)CNCCc1ccsc1 34a_100000692642_100009816398 [0,1,0,0,0,0|3,0,0]=4 5284 B13R1.536 CC[C@H](C)CNCCc1cncs1 2230a_100016991637_100009816398 [0,1,0,0,0,0|2,1,0]=4 5285 B13R1.536 CC[C@H](C)CNCCc1nccs1 2230a_100015186391_100009816398 [0,1,0,0,0,0|2,1,0]=4 5286 B13R1.536 CC[C@H](C)CNCCn1cccc1 34a_100011368172_100009816398 [0,1,0,0,0,0|3,0,0]=4 5287 B13R1.536 CC[C@H](C)CNCCn1cccn1 2230a_100011200920_100009816398 [0,1,0,0,0,0|3,0,0]=4 5288 B13R1.536 CC[C@H](C)COCCc1c[nH]cn1 7a_100009816381_100020628418 [0,1,0,0,0,0|3,0,0]=4 5289 B13R1.536 CC[C@H](C)COCCc1cccs1 34a_100011216825_100009816398 [0,1,0,0,0,0|1,1,0]=3 5290 B13R1.536 CC[C@H](C)COCCc1cccs1 7a_100009816381_100000748579 [0,1,0,0,0,0|1,1,0]=3 5291 B13R1.536 CC[C@H](C)COCCc1cccs1 7a_100011216825_100009816398 [0,1,0,0,0,0|1,1,0]=3 5292 B13R1.536 CC[C@H](C)COCCc1ccsc1 34a_100000748821_100009816398 [0,1,0,0,0,0|3,0,0]=4 5293 B13R1.536 CC[C@H](C)COCCc1ncc[nH]1 34a_103549771195_100009816398 [0,1,0,0,0,0|3,0,0]=4 5294 B13R1.536 CC[C@H](C)COCCn1cccc1 34a_100000179382_100009816398 [0,1,0,0,0,0|3,0,0]=4 5295 B13R1.536 CC[C@H](C)COCCn1cccc1 7a_100009816381_200000035178 [0,1,0,0,0,0|3,0,0]=4 5296 B13R1.536 CC[C@H](C)COCCn1cccn1 34a_100000743371_100009816398 [0,1,0,0,0,0|3,0,0]=4 5297 B13R1.536 CC[C@H](C)COCCn1cccn1 7a_100009816381_100000685285 [0,1,0,0,0,0|3,0,0]=4 5298 B13R1.536 CC[C@H](C)CSCCc1c[nH]cn1 62a_100009816398_100020628418 [0,1,0,0,0,0|3,0,0]=4 5299 B13R1.536 CC[C@H](C)CSCCc1c[nH]cn1 62a_100020628418_100009816398 [0,1,0,0,0,0|3,0,0]=4 5300 B13R1.536 CC[C@H](C)CSCCc1cccs1 62a_100000748579_100009816398 [0,1,0,0,0,0|1,1,0]=3 5301 B13R1.536 CC[C@H](C)CSCCc1cccs1 62a_100009816398_100000748579 [0,1,0,0,0,0|1,1,0]=3 5302 B13R1.536 CC[C@H](C)CSCCn1cccc1 62a_100009816398_200000035178 [0,1,0,0,0,0|3,0,0]=4 5303 B13R1.536 CC[C@H](C)CSCCn1cccc1 62a_200009811947_100009816398 [0,1,0,0,0,0|3,0,0]=4 5304 B13R1.536 CC[C@H](C)CSCCn1cccn1 62a_100009816398_100000685285 [0,1,0,0,0,0|3,0,0]=4 5305 B13R1.536 CC[C@H](C)CSCCn1cccn1 62a_100015204718_100009816398 [0,1,0,0,0,0|3,0,0]=4 5306 B13R1.536 CNC(=O)CCCCc1cccs1 11a_106832991635_100011216592 [0,1,0,0,0,0|1,1,1]=4 5307 B13R1.536 CNC(=O)CCCCc1cccs1 1626a_100102657272_100011216592 [0,1,0,0,0,0|1,1,1]=4 5308 B13R1.536 CNC(=O)CCCCc1cccs1 240690a_100102657272_100011216592 [0,1,0,0,0,0|1,1,1]=4 5309 B13R1.536 CNC(=O)CCCCc1cccs1 527a_100102657272_100011216592 [0,1,0,0,0,0|1,1,1]=4 5310 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100000741757_100009814098 [0,1,0,0,0,0|2,0,1]=4 5311 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100009814098_100000741757 [0,1,0,0,0,0|2,0,1]=4 5312 B13R1.536 CNC(=O)CCNCc1ccco1 207a_100000738227_100000186105 [0,1,0,0,0,0|2,0,1]=4 5313 B13R1.536 CNC(=O)CCNCc1ccco1 2230a_100000185738_100000737683 [0,1,0,0,0,0|2,0,1]=4 5314 B13R1.536 CNC(=O)CCNCc1ccco1 270004a_100000738227_100000186105 [0,1,0,0,0,0|2,0,1]=4 5315 B13R1.536 CNC(=O)CCNCc1ccco1 34a_100000185738_100012179268 [0,1,0,0,0,0|2,0,1]=4 5316 B13R1.536 CNC(=O)CCOCc1ccco1 34a_100000210059_100012179268 [0,1,0,0,0,0|2,0,1]=4 5317 B13R1.536 CNC(=O)CNCCc1ccco1 2230a_100000694680_100000183359 [0,1,0,0,0,0|2,0,1]=4 5318 B13R1.536 CNC(=O)CNCCc1ccco1 34a_100000694680_100000183359 [0,1,0,0,0,0|2,0,1]=4 5319 B13R1.536 COC(=O)CCCSc1ccco1 62a_100009814098_100011218270 [0,1,0,0,0,0|2,0,1]=4 5320 B13R1.536 COC(=O)CCCSc1ccco1 62a_100011218270_100009814098 [0,1,0,0,0,0|2,0,1]=4 5321 B13R1.536 COC(=O)CCNCc1ccco1 2230a_100000185738_100000204255 [0,1,0,0,0,0|2,0,1]=4 5322 B13R1.536 COC(=O)CCNCc1ccco1 34a_100000185738_100000742370 [0,1,0,0,0,0|2,0,1]=4 5323 B13R1.536 COC(=O)CCOCc1ccco1 34a_100000210059_100000742370 [0,1,0,0,0,0|2,0,1]=4 5324 B13R1.536 COC(=O)CNCCc1ccco1 2230a_100000694680_100000747449 [0,1,0,0,0,0|2,0,1]=4 5325 B13R1.536 COC(=O)CNCCc1ccco1 34a_100000694680_100000747449 [0,1,0,0,0,0|2,0,1]=4 5326 B13R1.536 COC(C)CCOCc1ncco1 7a_100000764861_103436540062 [0,1,0,0,0,0|3,0,0]=4 5327 B13R1.536 COC(C)COCCc1cccs1 34a_100000690652_100000748579 [0,1,0,0,0,0|2,1,0]=4 5328 B13R1.536 COC(C)SCCCc1cccs1 62a_100009879195_100010992444 [0,1,0,0,0,0|2,1,0]=4 5329 B13R1.536 COC(C)SCCCc1cccs1 62a_100010992444_100009879195 [0,1,0,0,0,0|2,1,0]=4 5330 B13R1.536 CO[C@H](C)CNCCc1cccs1 2230a_100020591295_100000748579 [0,1,0,0,0,0|2,1,0]=4 5331 B13R1.536 C[C@@H](CO)CNCCc1ccco1 2230a_100000694680_100000059175 [0,1,0,0,0,0|2,0,0]=3 5332 B13R1.536 C[C@@H](CO)CNCCc1ccco1 34a_100000694680_100000059175 [0,1,0,0,0,0|2,0,0]=3 5333 B13R1.536 C[C@@H](CO)CNCCc1cccs1 2230a_100000203755_100000059175 [0,1,0,0,0,0|2,1,0]=4 5334 B13R1.536 C[C@@H](CO)CNCCc1cccs1 34a_100000203755_100000059175 [0,1,0,0,0,0|2,1,0]=4 5335 B13R1.536 C[C@@H](CO)COCCc1cccs1 34a_100011216825_100000059175 [0,1,0,0,0,0|2,1,0]=4 5336 B13R1.536 C[C@@H](CO)COCCc1cccs1 7a_100011216825_100000059175 [0,1,0,0,0,0|2,1,0]=4 5337 B13R1.536 C[C@@H](CO)CSCCc1cccs1 62a_100000059175_100000748579 [0,1,0,0,0,0|2,1,0]=4 5338 B13R1.536 C[C@@H](CO)CSCCc1cccs1 62a_100000748579_100000059175 [0,1,0,0,0,0|2,1,0]=4 5339 B13R1.536 C[C@H](CO)NCCCc1cccs1 2230a_100000737577_100010992444 [0,1,0,0,0,0|2,1,0]=4 5340 B13R1.536 C[C@H](CO)SCCCc1cccs1 62a_100010992444_100016084084 [0,1,0,0,0,0|2,1,0]=4 5341 B13R1.536 C[C@H](CO)SCCCc1cccs1 62a_100016084084_100010992444 [0,1,0,0,0,0|2,1,0]=4 5342 B13R1.536 ClCC(Cl)COCCc1cccs1 34a_100000033668_100000748579 [0,1,0,0,0,0|2,1,0]=4 5343 B13R1.536 NC[C@@H](F)COCCc1cccs1 34a_100015665980_100000748579 [0,1,0,0,0,0|2,1,0]=4 5344 B13R1.536 O=C(CF)CCCCc1cccs1 1458a_100011216592_100015361967 [0,1,0,0,0,0|1,1,1]=4 5345 B13R1.536 OCC(O)CNCCc1ccco1 2230a_100000694680_100011219619 [0,1,0,0,0,0|2,0,0]=3 5346 B13R1.536 OCC(O)CNCCc1ccco1 34a_100000694680_100011219619 [0,1,0,0,0,0|2,0,0]=3 5347 B13R1.536 OCC(O)CNCCc1cccs1 2230a_100000203755_100011219619 [0,1,0,0,0,0|2,1,0]=4 5348 B13R1.536 OCC(O)CNCCc1cccs1 34a_100000203755_100011219619 [0,1,0,0,0,0|2,1,0]=4 5349 B13R1.536 OCC(O)COCCc1cccs1 34a_100011216825_100011219619 [0,1,0,0,0,0|2,1,0]=4 5350 B13R1.536 OCC(O)COCCc1cccs1 7a_100011216825_100011219619 [0,1,0,0,0,0|2,1,0]=4 5351 B13R1.536 OCC(O)CSCCc1cccs1 62a_100000748579_100011219619 [0,1,0,0,0,0|2,1,0]=4 5352 B13R1.536 OCC(O)CSCCc1cccs1 62a_100011219619_100000748579 [0,1,0,0,0,0|2,1,0]=4 5353 B13R1.536 OC[C@@H](O)CNCCc1cccs1 2230a_100020644852_100000748579 [0,1,0,0,0,0|2,1,0]=4 5354 B13R1.536 OC[C@H](F)CNCCc1cccs1 34a_100015665980_100000748579 [0,1,0,0,0,0|2,1,0]=4 5355 B13R1.536 OC[C@H](O)CNCCc1ccco1 2230a_100000694680_100009815848 [0,1,0,0,0,0|2,0,0]=3 5356 B13R1.536 OC[C@H](O)CNCCc1ccco1 34a_100000694680_100009815848 [0,1,0,0,0,0|2,0,0]=3 5357 B13R1.536 OC[C@H](O)CNCCc1cccs1 2230a_100000203755_100009815848 [0,1,0,0,0,0|2,1,0]=4 5358 B13R1.536 OC[C@H](O)CNCCc1cccs1 34a_100000203755_100009815848 [0,1,0,0,0,0|2,1,0]=4 5359 B13R1.536 OC[C@H](O)COCCc1cccs1 34a_100011216825_100009815848 [0,1,0,0,0,0|2,1,0]=4 5360 B13R1.536 OC[C@H](O)COCCc1cccs1 7a_100011216825_100009815848 [0,1,0,0,0,0|2,1,0]=4 5361 B13R1.536 OC[C@H](O)CSCCc1cccs1 62a_100000748579_100009815848 [0,1,0,0,0,0|2,1,0]=4 5362 B13R1.536 OC[C@H](O)CSCCc1cccs1 62a_100009815848_100000748579 [0,1,0,0,0,0|2,1,0]=4 5363 B13R1.536 O[C@@H](CF)CNCCc1ccco1 2230a_100000694680_100015614560 [0,1,0,0,0,0|2,0,0]=3 5364 B13R1.536 O[C@@H](CF)CNCCc1ccco1 34a_100000694680_100015614560 [0,1,0,0,0,0|2,0,0]=3 5365 B13R1.536 O[C@@H](CF)CNCCc1cccs1 2230a_100000203755_100015614560 [0,1,0,0,0,0|2,1,0]=4 5366 B13R1.536 O[C@@H](CF)CNCCc1cccs1 34a_100000203755_100015614560 [0,1,0,0,0,0|2,1,0]=4 5367 B13R1.536 O[C@@H](CF)COCCc1cccs1 34a_100011216825_100015614560 [0,1,0,0,0,0|2,1,0]=4 5368 B13R1.536 O[C@@H](CF)COCCc1cccs1 7a_100011216825_100015614560 [0,1,0,0,0,0|2,1,0]=4 5369 B13R1.536 O[C@@H](CF)CSCCc1cccs1 62a_100000748579_100015614560 [0,1,0,0,0,0|2,1,0]=4 5370 B13R1.536 O[C@@H](CF)CSCCc1cccs1 62a_100015614560_100000748579 [0,1,0,0,0,0|2,1,0]=4 5371 B13R1.654 C#CCCCNCc1occc1Br 270004a_100000718082_100000756499 [0,1,0,0,0,0|1,0,2]=4 5372 B13R1.654 C#CCCCNCc1occc1C 207a_100000718082_100000763527 [0,1,0,0,0,0|1,0,2]=4 5373 B13R1.654 C#CCCCNCc1occc1C 270004a_100000718082_100000763527 [0,1,0,0,0,0|1,0,2]=4 5374 B13R1.654 C#CCCCOCc1occc1C 34a_100011273948_100000695029 [0,1,0,0,0,0|1,0,2]=4 5375 B13R1.654 C#CCCCOCc1occc1C 7a_100011273948_100011215417 [0,1,0,0,0,0|1,0,2]=4 5376 B13R1.654 C=CCCCNCc1occc1Br 270004a_100000700776_100000756499 [0,1,0,0,0,0|1,0,2]=4 5377 B13R1.654 C=CCCCNCc1occc1C 270004a_100000700776_100000763527 [0,1,0,0,0,0|1,0,2]=4 5378 B13R1.654 C=CCCCOCc1occc1C 34a_100011273948_100000757094 [0,1,0,0,0,0|1,0,2]=4 5379 B13R1.654 C=CCCCOCc1occc1C 7a_100011273948_100000757094 [0,1,0,0,0,0|1,0,2]=4 5380 B13R1.654 CC/C=C\COCc1occc1C 34a_100011273948_100103147603 [0,1,0,0,0,0|1,0,2]=4 5381 B13R1.654 CC/C=C\COCc1occc1C 7a_100011273948_100103147603 [0,1,0,0,0,0|1,0,2]=4 5382 B13R1.654 CCC#CCOCc1occc1C 34a_100011273948_100009813939 [0,1,0,0,0,0|1,0,2]=4 5383 B13R1.654 CCC#CCOCc1occc1C 7a_100011273948_100009813939 [0,1,0,0,0,0|1,0,2]=4 5384 B13R1.654 CCCCCC=Cc1sccc1Br 271570a_100000062253_100012361411 [0,1,0,0,0,0|0,1,2]=4 5385 B13R1.654 CCCCCC=Cc1sccc1C 271570a_100000062253_100000742657 [0,1,0,0,0,0|0,1,2]=4 5386 B13R1.654 CCCCCCOc1ccnn1C 34a_100020632926_100000210314 [0,1,0,0,0,0|3,0,0]=4 5387 B13R1.654 CCCCCCSc1[nH]cnc1Cl 62a_100000210314_100010200774 [0,1,0,0,0,0|3,0,0]=4 5388 B13R1.654 CCCCCCSc1[nH]cnc1Cl 62a_100010200774_100000210757 [0,1,0,0,0,0|3,0,0]=4 5389 B13R1.654 CCCCCCSc1ccnn1C 62a_100000210314_100000688441 [0,1,0,0,0,0|3,0,0]=4 5390 B13R1.654 CCCCCCSc1ccnn1C 62a_100000688441_100000210757 [0,1,0,0,0,0|3,0,0]=4 5391 B13R1.654 CCCCCCSc1ccsc1C 62a_100000210314_100000684487 [0,1,0,0,0,0|3,0,0]=4 5392 B13R1.654 CCCCCCSc1ccsc1C 62a_100000684487_100000210757 [0,1,0,0,0,0|3,0,0]=4 5393 B13R1.654 CCCCCCSc1cncn1C 62a_100000210314_100009814087 [0,1,0,0,0,0|3,0,0]=4 5394 B13R1.654 CCCCCCSc1cncn1C 62a_100009814087_100000210757 [0,1,0,0,0,0|3,0,0]=4 5395 B13R1.654 CCCCCCSc1cscc1Br 62a_100000210314_100010143727 [0,1,0,0,0,0|3,0,0]=4 5396 B13R1.654 CCCCCCSc1cscc1Br 62a_100010143727_100000210757 [0,1,0,0,0,0|3,0,0]=4 5397 B13R1.654 CCCCCCSc1cscc1C 62a_100000210314_100000759966 [0,1,0,0,0,0|3,0,0]=4 5398 B13R1.654 CCCCCCSc1cscc1C 62a_100000759966_100000210757 [0,1,0,0,0,0|3,0,0]=4 5399 B13R1.654 CCCCCCSc1n[nH]cc1Br 62a_100000210314_100015839836 [0,1,0,0,0,0|3,0,0]=4 5400 B13R1.654 CCCCCCSc1n[nH]cc1Br 62a_100015839836_100000210757 [0,1,0,0,0,0|3,0,0]=4 5401 B13R1.654 CCCCCCSc1n[nH]cc1C 62a_100000210314_100009871783 [0,1,0,0,0,0|3,0,0]=4 5402 B13R1.654 CCCCCCSc1n[nH]cc1C 62a_100009871783_100000210757 [0,1,0,0,0,0|3,0,0]=4 5403 B13R1.654 CCCCCCSc1n[nH]cc1N 62a_100000210314_100010894806 [0,1,0,0,0,0|3,0,0]=4 5404 B13R1.654 CCCCCCSc1n[nH]cc1N 62a_100010894806_100000210757 [0,1,0,0,0,0|3,0,0]=4 5405 B13R1.654 CCCCCCSc1nc[nH]c1C 62a_100000210314_100010186451 [0,1,0,0,0,0|3,0,0]=4 5406 B13R1.654 CCCCCCSc1nc[nH]c1C 62a_100010186451_100000210757 [0,1,0,0,0,0|3,0,0]=4 5407 B13R1.654 CCCCCCSc1nccn1C 62a_100000210314_100000707724 [0,1,0,0,0,0|3,0,0]=4 5408 B13R1.654 CCCCCCSc1nccn1C 62a_100000707724_100000210757 [0,1,0,0,0,0|3,0,0]=4 5409 B13R1.654 CCCCCCSc1ncsc1C 62a_100000210314_100000732656 [0,1,0,0,0,0|3,0,0]=4 5410 B13R1.654 CCCCCCSc1ncsc1C 62a_100000732656_100000210757 [0,1,0,0,0,0|3,0,0]=4 5411 B13R1.654 CCCCCCSc1sccc1Br 62a_100000210314_100012361411 [0,1,0,0,0,0|1,1,0]=3 5412 B13R1.654 CCCCCCSc1sccc1Br 62a_100012361411_100000210757 [0,1,0,0,0,0|1,1,0]=3 5413 B13R1.654 CCCCCCSc1sccc1C 62a_100000210314_100010247149 [0,1,0,0,0,0|1,1,0]=3 5414 B13R1.654 CCCCCCSc1sccc1C 62a_100010247149_100000210757 [0,1,0,0,0,0|1,1,0]=3 5415 B13R1.654 CCCCCCSc1scnc1C 62a_100000210314_100009817116 [0,1,0,0,0,0|2,1,0]=4 5416 B13R1.654 CCCCCCSc1scnc1C 62a_100009817116_100000210757 [0,1,0,0,0,0|2,1,0]=4 5417 B13R1.654 CCCCCNCc1[nH]ncc1Br 207a_100000209983_100000732679 [0,1,0,0,0,0|3,0,0]=4 5418 B13R1.654 CCCCCNCc1[nH]ncc1Br 270004a_100000209983_100000732679 [0,1,0,0,0,0|3,0,0]=4 5419 B13R1.654 CCCCCNCc1[nH]ncc1C 207a_100000209983_100000708485 [0,1,0,0,0,0|3,0,0]=4 5420 B13R1.654 CCCCCNCc1[nH]ncc1C 270004a_100000209983_100000708485 [0,1,0,0,0,0|3,0,0]=4 5421 B13R1.654 CCCCCNCc1cccn1C 270004a_100000209983_100000211633 [0,1,0,0,0,0|2,0,0]=3 5422 B13R1.654 CCCCCNCc1cccn1C 34a_100011219357_100000718602 [0,1,0,0,0,0|2,0,0]=3 5423 B13R1.654 CCCCCNCc1ccnn1C 207a_100000209983_100000737161 [0,1,0,0,0,0|3,0,0]=4 5424 B13R1.654 CCCCCNCc1ccnn1C 2230a_100000209983_100000691648 [0,1,0,0,0,0|3,0,0]=4 5425 B13R1.654 CCCCCNCc1ccnn1C 270004a_100000209983_100000737161 [0,1,0,0,0,0|3,0,0]=4 5426 B13R1.654 CCCCCNCc1ccnn1C 34a_100025706696_100000718602 [0,1,0,0,0,0|3,0,0]=4 5427 B13R1.654 CCCCCNCc1ccsc1Br 207a_100000209983_100009816921 [0,1,0,0,0,0|3,0,0]=4 5428 B13R1.654 CCCCCNCc1ccsc1Br 2230a_100000209983_100009814289 [0,1,0,0,0,0|3,0,0]=4 5429 B13R1.654 CCCCCNCc1ccsc1Br 2230a_100000727803_100000210326 [0,1,0,0,0,0|3,0,0]=4 5430 B13R1.654 CCCCCNCc1ccsc1Br 270004a_100000209983_100009816921 [0,1,0,0,0,0|3,0,0]=4 5431 B13R1.654 CCCCCNCc1ccsc1Br 34a_100000727803_100000718602 [0,1,0,0,0,0|3,0,0]=4 5432 B13R1.654 CCCCCNCc1ccsc1Cl 207a_100000209983_100000089901 [0,1,0,0,0,0|3,0,0]=4 5433 B13R1.654 CCCCCNCc1ccsc1Cl 2230a_100000209983_100010167017 [0,1,0,0,0,0|3,0,0]=4 5434 B13R1.654 CCCCCNCc1ccsc1Cl 270004a_100000209983_100000089901 [0,1,0,0,0,0|3,0,0]=4 5435 B13R1.654 CCCCCNCc1cncn1C 207a_100000209983_100000750899 [0,1,0,0,0,0|3,0,0]=4 5436 B13R1.654 CCCCCNCc1cncn1C 270004a_100000209983_100000750899 [0,1,0,0,0,0|3,0,0]=4 5437 B13R1.654 CCCCCNCc1cscc1Br 207a_100000209983_100000685484 [0,1,0,0,0,0|3,0,0]=4 5438 B13R1.654 CCCCCNCc1cscc1Br 270004a_100000209983_100000685484 [0,1,0,0,0,0|3,0,0]=4 5439 B13R1.654 CCCCCNCc1n[nH]cc1Cl 207a_100000209983_100000040271 [0,1,0,0,0,0|3,0,0]=4 5440 B13R1.654 CCCCCNCc1n[nH]cc1Cl 270004a_100000209983_100000040271 [0,1,0,0,0,0|3,0,0]=4 5441 B13R1.654 CCCCCNCc1nc[nH]c1C 207a_100000209983_100000032982 [0,1,0,0,0,0|3,0,0]=4 5442 B13R1.654 CCCCCNCc1nc[nH]c1C 2230a_100000209983_100000751220 [0,1,0,0,0,0|3,0,0]=4 5443 B13R1.654 CCCCCNCc1nccn1C 207a_100000209983_100000748660 [0,1,0,0,0,0|3,0,0]=4 5444 B13R1.654 CCCCCNCc1nccn1C 2230a_100000209983_100000700302 [0,1,0,0,0,0|3,0,0]=4 5445 B13R1.654 CCCCCNCc1nccn1C 2230a_100015186572_100000210326 [0,1,0,0,0,0|3,0,0]=4 5446 B13R1.654 CCCCCNCc1nccn1C 270004a_100000209983_100000748660 [0,1,0,0,0,0|3,0,0]=4 5447 B13R1.654 CCCCCNCc1ncoc1C 2230a_100000209983_200000693990 [0,1,0,0,0,0|3,0,0]=4 5448 B13R1.654 CCCCCNCc1occc1Br 270004a_100000209983_100000756499 [0,1,0,0,0,0|1,0,0]=2 5449 B13R1.654 CCCCCNCc1occc1C 207a_100000209983_100000763527 [0,1,0,0,0,0|1,0,0]=2 5450 B13R1.654 CCCCCNCc1occc1C 270004a_100000209983_100000763527 [0,1,0,0,0,0|1,0,0]=2 5451 B13R1.654 CCCCCNCc1sccc1Br 207a_100000209983_100000766043 [0,1,0,0,0,0|1,1,0]=3 5452 B13R1.654 CCCCCNCc1sccc1Br 270004a_100000209983_100000766043 [0,1,0,0,0,0|1,1,0]=3 5453 B13R1.654 CCCCCNCc1sccc1C 207a_100000209983_100000210881 [0,1,0,0,0,0|1,1,0]=3 5454 B13R1.654 CCCCCNCc1sccc1C 2230a_100000238519_100000210326 [0,1,0,0,0,0|1,1,0]=3 5455 B13R1.654 CCCCCNCc1sccc1C 270004a_100000209983_100000210881 [0,1,0,0,0,0|1,1,0]=3 5456 B13R1.654 CCCCCNCc1sccc1C 34a_100000238519_100000718602 [0,1,0,0,0,0|1,1,0]=3 5457 B13R1.654 CCCCCNCc1sccc1Cl 207a_100000209983_100000722334 [0,1,0,0,0,0|1,1,0]=3 5458 B13R1.654 CCCCCNCc1sccc1Cl 2230a_100011934584_100000210326 [0,1,0,0,0,0|1,1,0]=3 5459 B13R1.654 CCCCCNCc1sccc1Cl 270004a_100000209983_100000722334 [0,1,0,0,0,0|1,1,0]=3 5460 B13R1.654 CCCCCNCc1sccc1Cl 34a_100011934584_100000718602 [0,1,0,0,0,0|1,1,0]=3 5461 B13R1.654 CCCCCNCc1scnc1C 207a_100000209983_100000764165 [0,1,0,0,0,0|2,1,0]=4 5462 B13R1.654 CCCCCNCc1scnc1C 2230a_100000752186_100000210326 [0,1,0,0,0,0|2,1,0]=4 5463 B13R1.654 CCCCCOCc1ccnn1C 34a_100000210253_100000691648 [0,1,0,0,0,0|3,0,0]=4 5464 B13R1.654 CCCCCOCc1ccnn1C 34a_100000684702_100000718602 [0,1,0,0,0,0|3,0,0]=4 5465 B13R1.654 CCCCCOCc1ccnn1C 7a_100000210253_100000691648 [0,1,0,0,0,0|3,0,0]=4 5466 B13R1.654 CCCCCOCc1ccoc1C 34a_100011219433_100000718602 [0,1,0,0,0,0|3,0,0]=4 5467 B13R1.654 CCCCCOCc1ccoc1C 7a_100011219433_100000210326 [0,1,0,0,0,0|3,0,0]=4 5468 B13R1.654 CCCCCOCc1ccsc1Br 34a_100000210253_100009814289 [0,1,0,0,0,0|3,0,0]=4 5469 B13R1.654 CCCCCOCc1ccsc1Br 34a_100009816922_100000718602 [0,1,0,0,0,0|3,0,0]=4 5470 B13R1.654 CCCCCOCc1ccsc1Br 7a_100000210253_100009814289 [0,1,0,0,0,0|3,0,0]=4 5471 B13R1.654 CCCCCOCc1ccsc1Br 7a_100009816922_100000210326 [0,1,0,0,0,0|3,0,0]=4 5472 B13R1.654 CCCCCOCc1ccsc1Cl 34a_100000210253_100010167017 [0,1,0,0,0,0|3,0,0]=4 5473 B13R1.654 CCCCCOCc1ccsc1Cl 7a_100000210253_100010167017 [0,1,0,0,0,0|3,0,0]=4 5474 B13R1.654 CCCCCOCc1cscc1Br 34a_100000724555_100000718602 [0,1,0,0,0,0|3,0,0]=4 5475 B13R1.654 CCCCCOCc1nccn1C 34a_100000210253_100000700302 [0,1,0,0,0,0|3,0,0]=4 5476 B13R1.654 CCCCCOCc1nccn1C 7a_100000210253_100000700302 [0,1,0,0,0,0|3,0,0]=4 5477 B13R1.654 CCCCCOCc1nccn1C 7a_100000691215_100000210326 [0,1,0,0,0,0|3,0,0]=4 5478 B13R1.654 CCCCCOCc1ncoc1C 34a_100000210253_200000693990 [0,1,0,0,0,0|3,0,0]=4 5479 B13R1.654 CCCCCOCc1ncoc1C 34a_100012017639_100000718602 [0,1,0,0,0,0|3,0,0]=4 5480 B13R1.654 CCCCCOCc1ncoc1C 7a_100000210253_200000693990 [0,1,0,0,0,0|3,0,0]=4 5481 B13R1.654 CCCCCOCc1occc1C 34a_100011273948_100000718602 [0,1,0,0,0,0|1,0,0]=2 5482 B13R1.654 CCCCCOCc1occc1C 7a_100011273948_100000210326 [0,1,0,0,0,0|1,0,0]=2 5483 B13R1.654 CCCCCOCc1ocnc1C 34a_100000717716_100000718602 [0,1,0,0,0,0|2,0,0]=3 5484 B13R1.654 CCCCCOCc1ocnc1C 7a_100000717716_100000210326 [0,1,0,0,0,0|2,0,0]=3 5485 B13R1.654 CCCCCOCc1oncc1C 34a_200011065769_100000718602 [0,1,0,0,0,0|2,0,0]=3 5486 B13R1.654 CCCCCOCc1sccc1Br 34a_100000702026_100000718602 [0,1,0,0,0,0|1,1,0]=3 5487 B13R1.654 CCCCCOCc1sccc1C 34a_100000238368_100000718602 [0,1,0,0,0,0|1,1,0]=3 5488 B13R1.654 CCCCCOCc1sccc1C 7a_100000238368_100000210326 [0,1,0,0,0,0|1,1,0]=3 5489 B13R1.654 CCCCCOCc1sccc1Cl 34a_100000722387_100000718602 [0,1,0,0,0,0|1,1,0]=3 5490 B13R1.654 CCCCCOCc1sccc1Cl 7a_100000722387_100000210326 [0,1,0,0,0,0|1,1,0]=3 5491 B13R1.654 CCCCCOCc1scnc1Br 7a_100012000948_100000210326 [0,1,0,0,0,0|2,1,0]=4 5492 B13R1.654 CCCCCOCc1scnc1C 34a_100000750112_100000718602 [0,1,0,0,0,0|2,1,0]=4 5493 B13R1.654 CCCCCOCc1scnc1C 7a_100000750112_100000210326 [0,1,0,0,0,0|2,1,0]=4 5494 B13R1.654 CCCCCSCc1ccnn1C 62a_100000210326_100000691648 [0,1,0,0,0,0|3,0,0]=4 5495 B13R1.654 CCCCCSCc1ccnn1C 62a_100000691648_100000210326 [0,1,0,0,0,0|3,0,0]=4 5496 B13R1.654 CCCCCSCc1ccsc1Br 62a_100000210326_100009814289 [0,1,0,0,0,0|3,0,0]=4 5497 B13R1.654 CCCCCSCc1ccsc1Br 62a_100009814289_100000210326 [0,1,0,0,0,0|3,0,0]=4 5498 B13R1.654 CCCCCSCc1ccsc1Cl 62a_100000210326_100010167017 [0,1,0,0,0,0|3,0,0]=4 5499 B13R1.654 CCCCCSCc1ccsc1Cl 62a_100010167017_100000210326 [0,1,0,0,0,0|3,0,0]=4 5500 B13R1.654 CCCCCSCc1nc[nH]c1C 62a_100000210326_100000751220 [0,1,0,0,0,0|3,0,0]=4 5501 B13R1.654 CCCCCSCc1nc[nH]c1C 62a_100000751220_100000210326 [0,1,0,0,0,0|3,0,0]=4 5502 B13R1.654 CCCCCSCc1nccn1C 62a_100000210326_100000700302 [0,1,0,0,0,0|3,0,0]=4 5503 B13R1.654 CCCCCSCc1nccn1C 62a_100000700302_100000210326 [0,1,0,0,0,0|3,0,0]=4 5504 B13R1.654 CCCCCSCc1ncoc1C 62a_100000210326_200000693990 [0,1,0,0,0,0|3,0,0]=4 5505 B13R1.654 CCCCCSCc1ncoc1C 62a_200000693990_100000210326 [0,1,0,0,0,0|3,0,0]=4 5506 B13R1.654 CCCCNCCc1cccn1C 2230a_100011251756_100000210211 [0,1,0,0,0,0|2,0,0]=3 5507 B13R1.654 CCCCNCCc1cccn1C 34a_100011251756_100000210210 [0,1,0,0,0,0|2,0,0]=3 5508 B13R1.654 CCCCNCCc1scnc1C 2230a_100000102301_100000057103 [0,1,0,0,0,0|2,1,0]=4 5509 B13R1.654 CCCCNCCc1scnc1C 2230a_100000238517_100000210211 [0,1,0,0,0,0|2,1,0]=4 5510 B13R1.654 CCCCNCCc1scnc1C 34a_100000238517_100000210210 [0,1,0,0,0,0|2,1,0]=4 5511 B13R1.654 CCCCNCCc1scnc1C 7a_106832991798_100000057103 [0,1,0,0,0,0|2,1,0]=4 5512 B13R1.654 CCCCNCCn1nccc1C 2230a_100000102301_100011934269 [0,1,0,0,0,0|3,0,0]=4 5513 B13R1.654 CCCCNCCn1nccc1C 7a_106832991798_100011934269 [0,1,0,0,0,0|3,0,0]=4 5514 B13R1.654 CCCCNN=Cc1occc1Br 4a_100025702795_100000756499 [0,1,0,0,0,0|2,0,1]=4 5515 B13R1.654 CCCCNN=Cc1occc1C 4a_100025702795_100000763527 [0,1,0,0,0,0|2,0,1]=4 5516 B13R1.654 CCCCOCCc1scnc1C 34a_100000210227_100000057103 [0,1,0,0,0,0|2,1,0]=4 5517 B13R1.654 CCCCOCCc1scnc1C 34a_100000211055_100000210210 [0,1,0,0,0,0|2,1,0]=4 5518 B13R1.654 CCCCOCCc1scnc1C 7a_100000210227_100000057103 [0,1,0,0,0,0|2,1,0]=4 5519 B13R1.654 CCCCOCCc1scnc1C 7a_100000211055_100000210211 [0,1,0,0,0,0|2,1,0]=4 5520 B13R1.654 CCCCOCCn1nccc1C 7a_100000210227_100011934269 [0,1,0,0,0,0|3,0,0]=4 5521 B13R1.654 CCCCOCCn1nccc1N 34a_100000701086_100000210210 [0,1,0,0,0,0|3,0,0]=4 5522 B13R1.654 CCCCOCSc1sccc1Br 62a_100011995733_100012361411 [0,1,0,0,0,0|2,1,0]=4 5523 B13R1.654 CCCCOCSc1sccc1Br 62a_100012361411_100011995733 [0,1,0,0,0,0|2,1,0]=4 5524 B13R1.654 CCCCOCSc1sccc1C 62a_100010247149_100011995733 [0,1,0,0,0,0|2,1,0]=4 5525 B13R1.654 CCCCOCSc1sccc1C 62a_100011995733_100010247149 [0,1,0,0,0,0|2,1,0]=4 5526 B13R1.654 CCCCSCCc1scnc1C 62a_100000057103_100000210210 [0,1,0,0,0,0|2,1,0]=4 5527 B13R1.654 CCCCSCCc1scnc1C 62a_100000210211_100000057103 [0,1,0,0,0,0|2,1,0]=4 5528 B13R1.654 CCCCSCCn1nccc1C 62a_100000210211_100011934269 [0,1,0,0,0,0|3,0,0]=4 5529 B13R1.654 CCCCSCCn1nccc1C 62a_100011934269_100000210210 [0,1,0,0,0,0|3,0,0]=4 5530 B13R1.654 CCCOCCSc1sccc1Br 62a_100011215938_100012361411 [0,1,0,0,0,0|2,1,0]=4 5531 B13R1.654 CCCOCCSc1sccc1Br 62a_100012361411_100011215938 [0,1,0,0,0,0|2,1,0]=4 5532 B13R1.654 CCCOCCSc1sccc1C 62a_100010247149_100011215938 [0,1,0,0,0,0|2,1,0]=4 5533 B13R1.654 CCCOCCSc1sccc1C 62a_100011215938_100010247149 [0,1,0,0,0,0|2,1,0]=4 5534 B13R1.654 CCOCCCSc1sccc1Br 62a_100012232248_100012361411 [0,1,0,0,0,0|2,1,0]=4 5535 B13R1.654 CCOCCCSc1sccc1Br 62a_100012361411_100012232248 [0,1,0,0,0,0|2,1,0]=4 5536 B13R1.654 CCOCCCSc1sccc1C 62a_100010247149_100012232248 [0,1,0,0,0,0|2,1,0]=4 5537 B13R1.654 CCOCCCSc1sccc1C 62a_100012232248_100010247149 [0,1,0,0,0,0|2,1,0]=4 5538 B13R1.654 CCOCCNCc1cccn1C 270004a_102516460346_100000211633 [0,1,0,0,0,0|3,0,0]=4 5539 B13R1.654 CCOCCNCc1cccn1C 34a_100011219357_100000210147 [0,1,0,0,0,0|3,0,0]=4 5540 B13R1.654 CCOCCNCc1occc1Br 270004a_102516460346_100000756499 [0,1,0,0,0,0|2,0,0]=3 5541 B13R1.654 CCOCCNCc1occc1C 207a_100011200944_100000763527 [0,1,0,0,0,0|2,0,0]=3 5542 B13R1.654 CCOCCNCc1occc1C 270004a_102516460346_100000763527 [0,1,0,0,0,0|2,0,0]=3 5543 B13R1.654 CCOCCNCc1sccc1Br 207a_100011200944_100000766043 [0,1,0,0,0,0|2,1,0]=4 5544 B13R1.654 CCOCCNCc1sccc1Br 270004a_102516460346_100000766043 [0,1,0,0,0,0|2,1,0]=4 5545 B13R1.654 CCOCCNCc1sccc1C 207a_100011200944_100000210881 [0,1,0,0,0,0|2,1,0]=4 5546 B13R1.654 CCOCCNCc1sccc1C 2230a_100000238519_100011215890 [0,1,0,0,0,0|2,1,0]=4 5547 B13R1.654 CCOCCNCc1sccc1C 270004a_102516460346_100000210881 [0,1,0,0,0,0|2,1,0]=4 5548 B13R1.654 CCOCCNCc1sccc1C 34a_100000189083_100000210202 [0,1,0,0,0,0|2,1,0]=4 5549 B13R1.654 CCOCCNCc1sccc1C 34a_100000238519_100000210147 [0,1,0,0,0,0|2,1,0]=4 5550 B13R1.654 CCOCCNCc1sccc1Cl 207a_100011200944_100000722334 [0,1,0,0,0,0|2,1,0]=4 5551 B13R1.654 CCOCCNCc1sccc1Cl 2230a_100011934584_100011215890 [0,1,0,0,0,0|2,1,0]=4 5552 B13R1.654 CCOCCNCc1sccc1Cl 270004a_102516460346_100000722334 [0,1,0,0,0,0|2,1,0]=4 5553 B13R1.654 CCOCCNCc1sccc1Cl 34a_100011934584_100000210147 [0,1,0,0,0,0|2,1,0]=4 5554 B13R1.654 CCOCCOCc1occc1C 34a_100011273948_100000210147 [0,1,0,0,0,0|2,0,0]=3 5555 B13R1.654 CCOCCOCc1occc1C 7a_100011273948_100011215890 [0,1,0,0,0,0|2,0,0]=3 5556 B13R1.654 CCOCCOCc1ocnc1C 34a_100000717716_100000210147 [0,1,0,0,0,0|3,0,0]=4 5557 B13R1.654 CCOCCOCc1ocnc1C 7a_100000717716_100011215890 [0,1,0,0,0,0|3,0,0]=4 5558 B13R1.654 CCOCCOCc1oncc1C 34a_200011065769_100000210147 [0,1,0,0,0,0|3,0,0]=4 5559 B13R1.654 CCOCCOCc1sccc1Br 34a_100000702026_100000210147 [0,1,0,0,0,0|2,1,0]=4 5560 B13R1.654 CCOCCOCc1sccc1C 34a_100000238368_100000210147 [0,1,0,0,0,0|2,1,0]=4 5561 B13R1.654 CCOCCOCc1sccc1C 7a_100000238368_100011215890 [0,1,0,0,0,0|2,1,0]=4 5562 B13R1.654 CCOCCOCc1sccc1Cl 34a_100000722387_100000210147 [0,1,0,0,0,0|2,1,0]=4 5563 B13R1.654 CCOCCOCc1sccc1Cl 7a_100000722387_100011215890 [0,1,0,0,0,0|2,1,0]=4 5564 B13R1.654 CCSCCNCc1cccn1C 270004a_100000106463_100000211633 [0,1,0,0,0,0|3,0,0]=4 5565 B13R1.654 CCSCCNCc1cccn1C 34a_100011219357_100000757381 [0,1,0,0,0,0|3,0,0]=4 5566 B13R1.654 CCSCCNCc1occc1Br 270004a_100000106463_100000756499 [0,1,0,0,0,0|2,0,0]=3 5567 B13R1.654 CCSCCNCc1occc1C 207a_100000106463_100000763527 [0,1,0,0,0,0|2,0,0]=3 5568 B13R1.654 CCSCCNCc1occc1C 270004a_100000106463_100000763527 [0,1,0,0,0,0|2,0,0]=3 5569 B13R1.654 CCSCCNCc1sccc1Br 207a_100000106463_100000766043 [0,1,0,0,0,0|2,1,0]=4 5570 B13R1.654 CCSCCNCc1sccc1Br 270004a_100000106463_100000766043 [0,1,0,0,0,0|2,1,0]=4 5571 B13R1.654 CCSCCNCc1sccc1C 207a_100000106463_100000210881 [0,1,0,0,0,0|2,1,0]=4 5572 B13R1.654 CCSCCNCc1sccc1C 2230a_100000238519_100000757381 [0,1,0,0,0,0|2,1,0]=4 5573 B13R1.654 CCSCCNCc1sccc1C 270004a_100000106463_100000210881 [0,1,0,0,0,0|2,1,0]=4 5574 B13R1.654 CCSCCNCc1sccc1C 34a_100000238519_100000757381 [0,1,0,0,0,0|2,1,0]=4 5575 B13R1.654 CCSCCNCc1sccc1Cl 207a_100000106463_100000722334 [0,1,0,0,0,0|2,1,0]=4 5576 B13R1.654 CCSCCNCc1sccc1Cl 2230a_100011934584_100000757381 [0,1,0,0,0,0|2,1,0]=4 5577 B13R1.654 CCSCCNCc1sccc1Cl 270004a_100000106463_100000722334 [0,1,0,0,0,0|2,1,0]=4 5578 B13R1.654 CCSCCNCc1sccc1Cl 34a_100011934584_100000757381 [0,1,0,0,0,0|2,1,0]=4 5579 B13R1.654 CCSCCOCc1occc1C 34a_100011273948_100000757381 [0,1,0,0,0,0|2,0,0]=3 5580 B13R1.654 CCSCCOCc1occc1C 7a_100011273948_100000757381 [0,1,0,0,0,0|2,0,0]=3 5581 B13R1.654 CCSCCOCc1ocnc1C 34a_100000717716_100000757381 [0,1,0,0,0,0|3,0,0]=4 5582 B13R1.654 CCSCCOCc1ocnc1C 7a_100000717716_100000757381 [0,1,0,0,0,0|3,0,0]=4 5583 B13R1.654 CCSCCOCc1oncc1C 34a_200011065769_100000757381 [0,1,0,0,0,0|3,0,0]=4 5584 B13R1.654 CCSCCOCc1sccc1Br 34a_100000702026_100000757381 [0,1,0,0,0,0|2,1,0]=4 5585 B13R1.654 CCSCCOCc1sccc1C 34a_100000238368_100000757381 [0,1,0,0,0,0|2,1,0]=4 5586 B13R1.654 CCSCCOCc1sccc1C 7a_100000238368_100000757381 [0,1,0,0,0,0|2,1,0]=4 5587 B13R1.654 CCSCCOCc1sccc1Cl 34a_100000722387_100000757381 [0,1,0,0,0,0|2,1,0]=4 5588 B13R1.654 CCSCCOCc1sccc1Cl 7a_100000722387_100000757381 [0,1,0,0,0,0|2,1,0]=4 5589 B13R1.654 COCCCCSc1sccc1Br 62a_100000730899_100012361411 [0,1,0,0,0,0|2,1,0]=4 5590 B13R1.654 COCCCCSc1sccc1Br 62a_100012361411_100000730899 [0,1,0,0,0,0|2,1,0]=4 5591 B13R1.654 COCCCCSc1sccc1C 62a_100000730899_100010247149 [0,1,0,0,0,0|2,1,0]=4 5592 B13R1.654 COCCCCSc1sccc1C 62a_100010247149_100000730899 [0,1,0,0,0,0|2,1,0]=4 5593 B13R1.654 COCCCNCc1cccn1C 270004a_100150723488_100000211633 [0,1,0,0,0,0|3,0,0]=4 5594 B13R1.654 COCCCNCc1cccn1C 34a_100011219357_100000740836 [0,1,0,0,0,0|3,0,0]=4 5595 B13R1.654 COCCCNCc1occc1Br 270004a_100150723488_100000756499 [0,1,0,0,0,0|2,0,0]=3 5596 B13R1.654 COCCCNCc1occc1C 207a_100150723488_100000763527 [0,1,0,0,0,0|2,0,0]=3 5597 B13R1.654 COCCCNCc1occc1C 270004a_100150723488_100000763527 [0,1,0,0,0,0|2,0,0]=3 5598 B13R1.654 COCCCNCc1sccc1Br 207a_100150723488_100000766043 [0,1,0,0,0,0|2,1,0]=4 5599 B13R1.654 COCCCNCc1sccc1Br 270004a_100150723488_100000766043 [0,1,0,0,0,0|2,1,0]=4 5600 B13R1.654 COCCCNCc1sccc1C 207a_100150723488_100000210881 [0,1,0,0,0,0|2,1,0]=4 5601 B13R1.654 COCCCNCc1sccc1C 2230a_100000238519_100000740836 [0,1,0,0,0,0|2,1,0]=4 5602 B13R1.654 COCCCNCc1sccc1C 270004a_100150723488_100000210881 [0,1,0,0,0,0|2,1,0]=4 5603 B13R1.654 COCCCNCc1sccc1C 34a_100000238519_100000740836 [0,1,0,0,0,0|2,1,0]=4 5604 B13R1.654 COCCCNCc1sccc1Cl 207a_100150723488_100000722334 [0,1,0,0,0,0|2,1,0]=4 5605 B13R1.654 COCCCNCc1sccc1Cl 2230a_100011934584_100000740836 [0,1,0,0,0,0|2,1,0]=4 5606 B13R1.654 COCCCNCc1sccc1Cl 270004a_100150723488_100000722334 [0,1,0,0,0,0|2,1,0]=4 5607 B13R1.654 COCCCNCc1sccc1Cl 34a_100011934584_100000740836 [0,1,0,0,0,0|2,1,0]=4 5608 B13R1.654 COCCCOCc1occc1C 34a_100011273948_100000740836 [0,1,0,0,0,0|2,0,0]=3 5609 B13R1.654 COCCCOCc1occc1C 7a_100011273948_100000740836 [0,1,0,0,0,0|2,0,0]=3 5610 B13R1.654 COCCCOCc1ocnc1C 34a_100000717716_100000740836 [0,1,0,0,0,0|3,0,0]=4 5611 B13R1.654 COCCCOCc1ocnc1C 7a_100000717716_100000740836 [0,1,0,0,0,0|3,0,0]=4 5612 B13R1.654 COCCCOCc1oncc1C 34a_200011065769_100000740836 [0,1,0,0,0,0|3,0,0]=4 5613 B13R1.654 COCCCOCc1sccc1Br 34a_100000702026_100000740836 [0,1,0,0,0,0|2,1,0]=4 5614 B13R1.654 COCCCOCc1sccc1C 34a_100000238368_100000740836 [0,1,0,0,0,0|2,1,0]=4 5615 B13R1.654 COCCCOCc1sccc1C 7a_100000238368_100000740836 [0,1,0,0,0,0|2,1,0]=4 5616 B13R1.654 COCCCOCc1sccc1Cl 34a_100000722387_100000740836 [0,1,0,0,0,0|2,1,0]=4 5617 B13R1.654 COCCCOCc1sccc1Cl 7a_100000722387_100000740836 [0,1,0,0,0,0|2,1,0]=4 5618 B13R1.654 COCCNCCc1cccn1C 2230a_100011251756_100011201679 [0,1,0,0,0,0|3,0,0]=4 5619 B13R1.654 COCCNCCc1cccn1C 34a_100011251756_100011201679 [0,1,0,0,0,0|3,0,0]=4 5620 B13R1.654 CSCCCNCc1cccn1C 270004a_100000749238_100000211633 [0,1,0,0,0,0|3,0,0]=4 5621 B13R1.654 CSCCCNCc1occc1Br 270004a_100000749238_100000756499 [0,1,0,0,0,0|2,0,0]=3 5622 B13R1.654 CSCCCNCc1occc1C 207a_100000749238_100000763527 [0,1,0,0,0,0|2,0,0]=3 5623 B13R1.654 CSCCCNCc1occc1C 270004a_100000749238_100000763527 [0,1,0,0,0,0|2,0,0]=3 5624 B13R1.654 CSCCCNCc1sccc1Br 207a_100000749238_100000766043 [0,1,0,0,0,0|2,1,0]=4 5625 B13R1.654 CSCCCNCc1sccc1Br 270004a_100000749238_100000766043 [0,1,0,0,0,0|2,1,0]=4 5626 B13R1.654 CSCCCNCc1sccc1C 207a_100000749238_100000210881 [0,1,0,0,0,0|2,1,0]=4 5627 B13R1.654 CSCCCNCc1sccc1C 270004a_100000749238_100000210881 [0,1,0,0,0,0|2,1,0]=4 5628 B13R1.654 CSCCCNCc1sccc1Cl 207a_100000749238_100000722334 [0,1,0,0,0,0|2,1,0]=4 5629 B13R1.654 CSCCCNCc1sccc1Cl 270004a_100000749238_100000722334 [0,1,0,0,0,0|2,1,0]=4 5630 B13R1.654 CSCCNCCc1cccn1C 2230a_100011251756_100000751147 [0,1,0,0,0,0|3,0,0]=4 5631 B13R1.654 CSCCNCCc1cccn1C 34a_100011251756_100000212216 [0,1,0,0,0,0|3,0,0]=4 5632 B13R1.654 Cc1ccoc1CNCCCCO 207a_100000750430_100000763527 [0,1,0,0,0,0|2,0,0]=3 5633 B13R1.654 Cc1ccoc1CNCCCCO 270004a_100000750430_100000763527 [0,1,0,0,0,0|2,0,0]=3 5634 B13R1.654 Cc1ccoc1COCCCC#N 7a_100011273948_100000687738 [0,1,0,0,0,0|2,0,1]=4 5635 B13R1.654 Cc1ccoc1COCCCC=O 7a_100011273948_200011292268 [0,1,0,0,0,0|2,0,1]=4 5636 B13R1.654 Cc1ccoc1COCCCCF 34a_100011273948_100000729493 [0,1,0,0,0,0|2,0,0]=3 5637 B13R1.654 Cc1ccoc1COCCCCF 7a_100011273948_100000729493 [0,1,0,0,0,0|2,0,0]=3 5638 B13R1.654 Cc1ccoc1COCCCCO 34a_100011273948_100011216708 [0,1,0,0,0,0|2,0,0]=3 5639 B13R1.654 Cc1ccoc1COCCCCO 7a_100011273948_100000210776 [0,1,0,0,0,0|2,0,0]=3 5640 B13R1.654 Cc1ccsc1CNCCCCF 2230a_100000238519_100000729493 [0,1,0,0,0,0|2,1,0]=4 5641 B13R1.654 Cc1ccsc1CNCCCCF 34a_100000238519_100000729493 [0,1,0,0,0,0|2,1,0]=4 5642 B13R1.654 Cc1ccsc1CNCCCCO 207a_100000750430_100000210881 [0,1,0,0,0,0|2,1,0]=4 5643 B13R1.654 Cc1ccsc1CNCCCCO 2230a_100000238519_100000210776 [0,1,0,0,0,0|2,1,0]=4 5644 B13R1.654 Cc1ccsc1CNCCCCO 270004a_100000750430_100000210881 [0,1,0,0,0,0|2,1,0]=4 5645 B13R1.654 Cc1ccsc1CNCCCCO 34a_100000238519_100011216708 [0,1,0,0,0,0|2,1,0]=4 5646 B13R1.654 Cc1ccsc1COCCCCF 34a_100000238368_100000729493 [0,1,0,0,0,0|2,1,0]=4 5647 B13R1.654 Cc1ccsc1COCCCCF 7a_100000238368_100000729493 [0,1,0,0,0,0|2,1,0]=4 5648 B13R1.654 Cc1ccsc1COCCCCO 34a_100000238368_100011216708 [0,1,0,0,0,0|2,1,0]=4 5649 B13R1.654 Cc1ccsc1COCCCCO 7a_100000238368_100000210776 [0,1,0,0,0,0|2,1,0]=4 5650 B13R1.654 Cc1ccsc1SCCCCCF 62a_100000729378_100010247149 [0,1,0,0,0,0|2,1,0]=4 5651 B13R1.654 Cc1ccsc1SCCCCCF 62a_100010247149_100000729378 [0,1,0,0,0,0|2,1,0]=4 5652 B13R1.654 Cc1ccsc1SCCCCCO 62a_100000746330_100010247149 [0,1,0,0,0,0|2,1,0]=4 5653 B13R1.654 Cc1ccsc1SCCCCCO 62a_100010247149_100000746330 [0,1,0,0,0,0|2,1,0]=4 5654 B13R1.654 Cc1cnoc1COCCCCF 34a_200011065769_100000729493 [0,1,0,0,0,0|3,0,0]=4 5655 B13R1.654 Cc1cnoc1COCCCCO 34a_200011065769_100011216708 [0,1,0,0,0,0|3,0,0]=4 5656 B13R1.654 Cc1ncoc1COCCCCF 34a_100000717716_100000729493 [0,1,0,0,0,0|3,0,0]=4 5657 B13R1.654 Cc1ncoc1COCCCCF 7a_100000717716_100000729493 [0,1,0,0,0,0|3,0,0]=4 5658 B13R1.654 Cc1ncoc1COCCCCO 34a_100000717716_100011216708 [0,1,0,0,0,0|3,0,0]=4 5659 B13R1.654 Cc1ncoc1COCCCCO 7a_100000717716_100000210776 [0,1,0,0,0,0|3,0,0]=4 5660 B13R1.654 Cn1cccc1CCNCCCF 2230a_100011251756_100011934791 [0,1,0,0,0,0|3,0,0]=4 5661 B13R1.654 Cn1cccc1CCNCCCF 34a_100011251756_100011934791 [0,1,0,0,0,0|3,0,0]=4 5662 B13R1.654 Cn1cccc1CCNCCCO 2230a_100011251756_100000230001 [0,1,0,0,0,0|3,0,0]=4 5663 B13R1.654 Cn1cccc1CCNCCCO 34a_100011251756_100000230001 [0,1,0,0,0,0|3,0,0]=4 5664 B13R1.654 Cn1cccc1CNCCCCF 34a_100011219357_100000729493 [0,1,0,0,0,0|3,0,0]=4 5665 B13R1.654 Cn1cccc1CNCCCCO 270004a_100000750430_100000211633 [0,1,0,0,0,0|3,0,0]=4 5666 B13R1.654 Cn1cccc1CNCCCCO 34a_100011219357_100011216708 [0,1,0,0,0,0|3,0,0]=4 5667 B13R1.654 FCCCCCSc1sccc1Br 62a_100000729378_100012361411 [0,1,0,0,0,0|2,1,0]=4 5668 B13R1.654 FCCCCCSc1sccc1Br 62a_100012361411_100000729378 [0,1,0,0,0,0|2,1,0]=4 5669 B13R1.654 FCCCCNCc1sccc1Cl 2230a_100011934584_100000729493 [0,1,0,0,0,0|2,1,0]=4 5670 B13R1.654 FCCCCNCc1sccc1Cl 34a_100011934584_100000729493 [0,1,0,0,0,0|2,1,0]=4 5671 B13R1.654 FCCCCOCc1sccc1Br 34a_100000702026_100000729493 [0,1,0,0,0,0|2,1,0]=4 5672 B13R1.654 FCCCCOCc1sccc1Cl 34a_100000722387_100000729493 [0,1,0,0,0,0|2,1,0]=4 5673 B13R1.654 FCCCCOCc1sccc1Cl 7a_100000722387_100000729493 [0,1,0,0,0,0|2,1,0]=4 5674 B13R1.654 OCCCCCSc1sccc1Br 62a_100000746330_100012361411 [0,1,0,0,0,0|2,1,0]=4 5675 B13R1.654 OCCCCCSc1sccc1Br 62a_100012361411_100000746330 [0,1,0,0,0,0|2,1,0]=4 5676 B13R1.654 OCCCCNCc1occc1Br 270004a_100000750430_100000756499 [0,1,0,0,0,0|2,0,0]=3 5677 B13R1.654 OCCCCNCc1sccc1Br 207a_100000750430_100000766043 [0,1,0,0,0,0|2,1,0]=4 5678 B13R1.654 OCCCCNCc1sccc1Br 270004a_100000750430_100000766043 [0,1,0,0,0,0|2,1,0]=4 5679 B13R1.654 OCCCCNCc1sccc1Cl 207a_100000750430_100000722334 [0,1,0,0,0,0|2,1,0]=4 5680 B13R1.654 OCCCCNCc1sccc1Cl 2230a_100011934584_100000210776 [0,1,0,0,0,0|2,1,0]=4 5681 B13R1.654 OCCCCNCc1sccc1Cl 270004a_100000750430_100000722334 [0,1,0,0,0,0|2,1,0]=4 5682 B13R1.654 OCCCCNCc1sccc1Cl 34a_100011934584_100011216708 [0,1,0,0,0,0|2,1,0]=4 5683 B13R1.654 OCCCCOCc1sccc1Br 34a_100000702026_100011216708 [0,1,0,0,0,0|2,1,0]=4 5684 B13R1.654 OCCCCOCc1sccc1Cl 34a_100000722387_100011216708 [0,1,0,0,0,0|2,1,0]=4 5685 B13R1.654 OCCCCOCc1sccc1Cl 7a_100000722387_100000210776 [0,1,0,0,0,0|2,1,0]=4 5686 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,0,1,0,0,0|2,0,0]=3 5687 B11R0.3 C/C=C/C=C/COCCCCF 34a_100016283227_100000729493 [0,0,1,0,0,0|3,0,0]=4 5688 B11R0.3 C/C=C/C=C/COCCCCO 34a_100016283227_100011216708 [0,0,1,0,0,0|3,0,0]=4 5689 B11R0.3 C/C=C/C=C/COCCCOC 34a_100016283227_100000740836 [0,0,1,0,0,0|3,0,0]=4 5690 B11R0.3 C/C=C/C=C/COCCOCC 34a_100016283227_100000210147 [0,0,1,0,0,0|3,0,0]=4 5691 B11R0.3 C/C=C/C=C/COCCSCC 34a_100016283227_100000757381 [0,0,1,0,0,0|3,0,0]=4 5692 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,1,0,0,0|2,0,1]=4 5693 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,1,0,0,0|2,0,1]=4 5694 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,1,0,0,0|2,0,1]=4 5695 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,0,1,0,0,0|2,0,1]=4 5696 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,0,1,0,0,0|2,0,1]=4 5697 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,0,1,0,0,0|2,0,1]=4 5698 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,0,1,0,0,0|2,0,1]=4 5699 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,0,1,0,0,0|2,0,1]=4 5700 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,0,1,0,0,0|2,0,1]=4 5701 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,0,1,0,0,0|2,0,1]=4 5702 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,0,1,0,0,0|2,0,1]=4 5703 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,0,1,0,0,0|2,0,1]=4 5704 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,0,1,0,0,0|1,0,2]=4 5705 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,0,1,0,0,0|1,0,2]=4 5706 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,0,1,0,0,0|1,0,2]=4 5707 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,0,1,0,0,0|1,0,2]=4 5708 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,0,1,0,0,0|1,0,2]=4 5709 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,0,1,0,0,0|0,0,2]=3 5710 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,0,1,0,0,0|0,0,2]=3 5711 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,0,1,0,0,0|0,0,2]=3 5712 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,0,1,0,0,0|1,0,2]=4 5713 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,0,1,0,0,0|1,0,2]=4 5714 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,0,1,0,0,0|1,0,2]=4 5715 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,0,1,0,0,0|1,0,2]=4 5716 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,0,1,0,0,0|1,0,2]=4 5717 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,0,1,0,0,0|1,0,2]=4 5718 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,0,1,0,0,0|1,0,2]=4 5719 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,0,1,0,0,0|1,0,2]=4 5720 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,0,1,0,0,0|1,0,2]=4 5721 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,0,1,0,0,0|1,0,2]=4 5722 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,0,1,0,0,0|1,0,2]=4 5723 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,0,1,0,0,0|1,0,2]=4 5724 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,0,1,0,0,0|0,1,2]=4 5725 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,0,1,0,0,0|0,1,2]=4 5726 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,0,1,0,0,0|2,0,1]=4 5727 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,1,0,0,0|2,0,1]=4 5728 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,1,0,0,0|2,0,1]=4 5729 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,0,1,0,0,0|2,0,1]=4 5730 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,0,1,0,0,0|2,0,1]=4 5731 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,1,0,0,0|1,0,2]=4 5732 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,1,0,0,0|1,0,2]=4 5733 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,0,1,0,0,0|0,0,2]=3 5734 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,0,1,0,0,0|0,0,2]=3 5735 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,0,1,0,0,0|1,0,2]=4 5736 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,0,1,0,0,0|1,0,2]=4 5737 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,0,1,0,0,0|1,0,2]=4 5738 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,0,1,0,0,0|1,0,2]=4 5739 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,0,1,0,0,0|1,0,2]=4 5740 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 5741 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 5742 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 5743 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,0,1,0,0,0|1,0,2]=4 5744 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,0,1,0,0,0|2,0,1]=4 5745 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,0,1,0,0,0|2,0,1]=4 5746 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,0,1,0,0,0|2,0,1]=4 5747 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,0,1,0,0,0|2,0,1]=4 5748 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,0,1,0,0,0|2,0,0]=3 5749 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [0,0,1,0,0,0|3,0,0]=4 5750 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [0,0,1,0,0,0|3,0,0]=4 5751 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [0,0,1,0,0,0|3,0,0]=4 5752 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [0,0,1,0,0,0|3,0,0]=4 5753 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [0,0,1,0,0,0|3,0,0]=4 5754 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [0,0,1,0,0,0|3,0,0]=4 5755 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [0,0,1,0,0,0|3,0,0]=4 5756 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [0,0,1,0,0,0|3,0,0]=4 5757 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,0,1,0,0,0|2,0,0]=3 5758 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [0,0,1,0,0,0|3,0,0]=4 5759 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [0,0,1,0,0,0|3,0,0]=4 5760 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [0,0,1,0,0,0|3,0,0]=4 5761 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [0,0,1,0,0,0|3,0,0]=4 5762 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [0,0,1,0,0,0|3,0,0]=4 5763 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [0,0,1,0,0,0|3,0,0]=4 5764 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [0,0,1,0,0,0|3,0,0]=4 5765 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [0,0,1,0,0,0|3,0,0]=4 5766 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [0,0,1,0,0,0|3,0,0]=4 5767 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,0,1,0,0,0|2,0,0]=3 5768 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,0,1,0,0,0|2,0,0]=3 5769 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [0,0,1,0,0,0|3,0,0]=4 5770 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [0,0,1,0,0,0|3,0,0]=4 5771 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [0,0,1,0,0,0|3,0,0]=4 5772 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [0,0,1,0,0,0|3,0,0]=4 5773 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [0,0,1,0,0,0|3,0,0]=4 5774 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [0,0,1,0,0,0|3,0,0]=4 5775 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [0,0,1,0,0,0|3,0,0]=4 5776 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [0,0,1,0,0,0|3,0,0]=4 5777 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [0,0,1,0,0,0|3,0,0]=4 5778 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [0,0,1,0,0,0|3,0,0]=4 5779 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,0,1,0,0,0|0,0,2]=3 5780 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,0,1,0,0,0|1,0,2]=4 5781 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,0,1,0,0,0|1,0,2]=4 5782 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,0,1,0,0,0|1,0,2]=4 5783 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,0,1,0,0,0|1,0,2]=4 5784 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,0,1,0,0,0|1,0,2]=4 5785 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,0,1,0,0,0|1,0,2]=4 5786 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,0,1,0,0,0|1,0,1]=3 5787 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,0,1,0,0,0|1,0,1]=3 5788 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,0,1,0,0,0|1,0,1]=3 5789 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,0,1,0,0,0|2,0,1]=4 5790 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,0,1,0,0,0|2,0,1]=4 5791 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,0,1,0,0,0|2,0,1]=4 5792 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,0,1,0,0,0|2,0,1]=4 5793 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,0,1,0,0,0|2,0,1]=4 5794 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,0,1,0,0,0|2,0,1]=4 5795 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,0,1,0,0,0|2,0,1]=4 5796 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,0,1,0,0,0|2,0,1]=4 5797 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,0,1,0,0,0|2,0,1]=4 5798 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,0,1,0,0,0|2,0,1]=4 5799 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,0,1,0,0,0|2,0,1]=4 5800 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,0,1,0,0,0|2,0,1]=4 5801 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,0,1,0,0,0|2,0,1]=4 5802 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,0,1,0,0,0|2,0,1]=4 5803 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,0,1,0,0,0|2,0,1]=4 5804 B11R0.124 C=CC(C=C)OCCCCCC 34a_100000033096_100000210314 [0,0,1,0,0,0|2,0,1]=4 5805 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,0,1,0,0,0|0,0,2]=3 5806 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,0,1,0,0,0|0,0,2]=3 5807 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,0,1,0,0,0|0,0,2]=3 5808 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,0,1,0,0,0|0,0,2]=3 5809 B13R2.18 CN1CCCCC1c2cccs2 2230a_200011804124_200000210301 [0,0,0,1,0,0|1,1,0]=3 5810 B13R2.18 CN1CCCCC1c2cccs2 269982a_200011804124_200000210301 [0,0,0,1,0,0|1,1,0]=3 5811 B13R2.18 CN1CCCCC1c2cccs2 34a_200011804124_200000210301 [0,0,0,1,0,0|1,1,0]=3 5812 B13R2.18 CN1CCCCC1c2nccs2 2230a_100000748947_200000210301 [0,0,0,1,0,0|2,1,0]=4 5813 B13R2.18 CN1CCCCC1c2nccs2 269982a_100000748947_200000210301 [0,0,0,1,0,0|2,1,0]=4 5814 B13R2.18 [13CH3]N1CCCCC1c2cccs2 2230a_200011804124_200025704644 [0,0,0,1,0,0|1,1,0]=3 5815 B13R2.18 [13CH3]N1CCCCC1c2cccs2 269982a_200011804124_200025704644 [0,0,0,1,0,0|1,1,0]=3 5816 B13R2.18 [13CH3]N1CCCCC1c2cccs2 34a_200011804124_200025704644 [0,0,0,1,0,0|1,1,0]=3 5817 B13R2.18 [13CH3]N1CCCCC1c2nccs2 2230a_100000748947_200025704644 [0,0,0,1,0,0|2,1,0]=4 5818 B13R2.18 [13CH3]N1CCCCC1c2nccs2 269982a_100000748947_200025704644 [0,0,0,1,0,0|2,1,0]=4 5819 B13R2.29 CC1SCCN1Cc2ccco2 270004a_200011216479_100000186105 [0,0,0,1,0,0|2,0,0]=3 5820 B13R2.29 CC1SCCN1Cc2cccs2 270004a_200011216479_100000209959 [0,0,0,1,0,0|2,1,0]=4 5821 B13R2.29 CC1SCCN1Cc2cnco2 270004a_200011216479_100000064291 [0,0,0,1,0,0|3,0,0]=4 5822 B13R2.29 CC1SCCN1Cc2ncco2 2230a_200011216479_103436540062 [0,0,0,1,0,0|3,0,0]=4 5823 B13R2.29 CC1SCCN1Cc2ncco2 269982a_200011216479_103436540062 [0,0,0,1,0,0|3,0,0]=4 5824 B13R2.29 CC1SCCN1Cc2ncco2 270004a_200011216479_100000064290 [0,0,0,1,0,0|3,0,0]=4 5825 B13R2.29 CC1SCCN1Cc2ncco2 34a_200011216479_103436540062 [0,0,0,1,0,0|3,0,0]=4 5826 B13R2.29 CN1CCCC1Cn2cccn2 2230a_100000753591_200000210301 [0,0,0,1,0,0|3,0,0]=4 5827 B13R2.29 CN1CCCC1Cn2cccn2 269982a_100000753591_200000210301 [0,0,0,1,0,0|3,0,0]=4 5828 B13R2.29 CN1CCCC1Cn2cccn2 34a_100000753591_200000210301 [0,0,0,1,0,0|3,0,0]=4 5829 B13R2.29 C[C@@H]1CCCN1Cc2c[nH]cn2 2230a_100015189458_100000707719 [0,0,0,1,0,0|3,0,0]=4 5830 B13R2.29 C[C@@H]1CCCN1Cc2c[nH]cn2 269982a_100015189458_100000707719 [0,0,0,1,0,0|3,0,0]=4 5831 B13R2.29 C[C@@H]1CCCN1Cc2c[nH]cn2 34a_100015189458_100000707719 [0,0,0,1,0,0|3,0,0]=4 5832 B13R2.29 C[C@@H]1CCCN1Cc2cc[nH]n2 270004a_100015189458_100000738523 [0,0,0,1,0,0|3,0,0]=4 5833 B13R2.29 C[C@@H]1CCCN1Cc2ccco2 270004a_100015189458_100000186105 [0,0,0,1,0,0|1,0,0]=2 5834 B13R2.29 C[C@@H]1CCCN1Cc2cccs2 270004a_100015189458_100000209959 [0,0,0,1,0,0|1,1,0]=3 5835 B13R2.29 C[C@@H]1CCCN1Cc2ccn[nH]2 2230a_100015189458_100000728653 [0,0,0,1,0,0|3,0,0]=4 5836 B13R2.29 C[C@@H]1CCCN1Cc2ccn[nH]2 269982a_100015189458_100000728653 [0,0,0,1,0,0|3,0,0]=4 5837 B13R2.29 C[C@@H]1CCCN1Cc2ccn[nH]2 34a_100015189458_100000728653 [0,0,0,1,0,0|3,0,0]=4 5838 B13R2.29 C[C@@H]1CCCN1Cc2ccoc2 270004a_100015189458_100011215517 [0,0,0,1,0,0|3,0,0]=4 5839 B13R2.29 C[C@@H]1CCCN1Cc2ccon2 2230a_100015189458_100000234950 [0,0,0,1,0,0|3,0,0]=4 5840 B13R2.29 C[C@@H]1CCCN1Cc2ccon2 269982a_100015189458_100000234950 [0,0,0,1,0,0|3,0,0]=4 5841 B13R2.29 C[C@@H]1CCCN1Cc2ccon2 34a_100015189458_100000234950 [0,0,0,1,0,0|3,0,0]=4 5842 B13R2.29 C[C@@H]1CCCN1Cc2ccsc2 2230a_100015189458_100011261437 [0,0,0,1,0,0|3,0,0]=4 5843 B13R2.29 C[C@@H]1CCCN1Cc2ccsc2 269982a_100015189458_100011233845 [0,0,0,1,0,0|3,0,0]=4 5844 B13R2.29 C[C@@H]1CCCN1Cc2ccsc2 270004a_100015189458_100000188534 [0,0,0,1,0,0|3,0,0]=4 5845 B13R2.29 C[C@@H]1CCCN1Cc2ccsc2 34a_100015189458_100011261437 [0,0,0,1,0,0|3,0,0]=4 5846 B13R2.29 C[C@@H]1CCCN1Cc2cnco2 270004a_100015189458_100000064291 [0,0,0,1,0,0|2,0,0]=3 5847 B13R2.29 C[C@@H]1CCCN1Cc2cncs2 2230a_100015189458_100015185245 [0,0,0,1,0,0|2,1,0]=4 5848 B13R2.29 C[C@@H]1CCCN1Cc2cncs2 269982a_100015189458_100015185245 [0,0,0,1,0,0|2,1,0]=4 5849 B13R2.29 C[C@@H]1CCCN1Cc2cncs2 270004a_100015189458_100000749870 [0,0,0,1,0,0|2,1,0]=4 5850 B13R2.29 C[C@@H]1CCCN1Cc2cncs2 34a_100015189458_100015185245 [0,0,0,1,0,0|2,1,0]=4 5851 B13R2.29 C[C@@H]1CCCN1Cc2cocn2 270004a_100015189458_100000050382 [0,0,0,1,0,0|3,0,0]=4 5852 B13R2.29 C[C@@H]1CCCN1Cc2cscn2 2230a_100015189458_100000205941 [0,0,0,1,0,0|3,0,0]=4 5853 B13R2.29 C[C@@H]1CCCN1Cc2cscn2 269982a_100015189458_100000205941 [0,0,0,1,0,0|3,0,0]=4 5854 B13R2.29 C[C@@H]1CCCN1Cc2cscn2 270004a_100015189458_100000743575 [0,0,0,1,0,0|3,0,0]=4 5855 B13R2.29 C[C@@H]1CCCN1Cc2cscn2 34a_100015189458_100000205941 [0,0,0,1,0,0|3,0,0]=4 5856 B13R2.29 C[C@@H]1CCCN1Cc2ncc[nH]2 2230a_100015189458_100016991755 [0,0,0,1,0,0|3,0,0]=4 5857 B13R2.29 C[C@@H]1CCCN1Cc2ncc[nH]2 269982a_100015189458_100016991755 [0,0,0,1,0,0|3,0,0]=4 5858 B13R2.29 C[C@@H]1CCCN1Cc2ncc[nH]2 34a_100015189458_100016991755 [0,0,0,1,0,0|3,0,0]=4 5859 B13R2.29 C[C@@H]1CCCN1Cc2ncco2 2230a_100015189458_103436540062 [0,0,0,1,0,0|2,0,0]=3 5860 B13R2.29 C[C@@H]1CCCN1Cc2ncco2 269982a_100015189458_103436540062 [0,0,0,1,0,0|2,0,0]=3 5861 B13R2.29 C[C@@H]1CCCN1Cc2ncco2 270004a_100015189458_100000064290 [0,0,0,1,0,0|2,0,0]=3 5862 B13R2.29 C[C@@H]1CCCN1Cc2ncco2 34a_100015189458_103436540062 [0,0,0,1,0,0|2,0,0]=3 5863 B13R2.29 C[C@@H]1CCCN1Cc2nccs2 2230a_100015189458_100015184050 [0,0,0,1,0,0|2,1,0]=4 5864 B13R2.29 C[C@@H]1CCCN1Cc2nccs2 269982a_100015189458_100015184050 [0,0,0,1,0,0|2,1,0]=4 5865 B13R2.29 C[C@@H]1CCCN1Cc2nccs2 270004a_100015189458_100000750902 [0,0,0,1,0,0|2,1,0]=4 5866 B13R2.29 C[C@@H]1CCCN1Cc2nccs2 34a_100015189458_100015184050 [0,0,0,1,0,0|2,1,0]=4 5867 B13R2.29 C[C@H]1CCCN1Cc2c[nH]cn2 2230a_100020605311_100000707719 [0,0,0,1,0,0|3,0,0]=4 5868 B13R2.29 C[C@H]1CCCN1Cc2c[nH]cn2 269982a_100020605311_100000707719 [0,0,0,1,0,0|3,0,0]=4 5869 B13R2.29 C[C@H]1CCCN1Cc2cc[nH]n2 270004a_100020605311_100000738523 [0,0,0,1,0,0|3,0,0]=4 5870 B13R2.29 C[C@H]1CCCN1Cc2ccco2 270004a_100020605311_100000186105 [0,0,0,1,0,0|1,0,0]=2 5871 B13R2.29 C[C@H]1CCCN1Cc2cccs2 270004a_100020605311_100000209959 [0,0,0,1,0,0|1,1,0]=3 5872 B13R2.29 C[C@H]1CCCN1Cc2ccn[nH]2 2230a_100020605311_100000728653 [0,0,0,1,0,0|3,0,0]=4 5873 B13R2.29 C[C@H]1CCCN1Cc2ccn[nH]2 269982a_100020605311_100000728653 [0,0,0,1,0,0|3,0,0]=4 5874 B13R2.29 C[C@H]1CCCN1Cc2ccoc2 270004a_100020605311_100011215517 [0,0,0,1,0,0|3,0,0]=4 5875 B13R2.29 C[C@H]1CCCN1Cc2ccon2 2230a_100020605311_100000234950 [0,0,0,1,0,0|3,0,0]=4 5876 B13R2.29 C[C@H]1CCCN1Cc2ccon2 269982a_100020605311_100000234950 [0,0,0,1,0,0|3,0,0]=4 5877 B13R2.29 C[C@H]1CCCN1Cc2ccsc2 2230a_100020605311_100011261437 [0,0,0,1,0,0|3,0,0]=4 5878 B13R2.29 C[C@H]1CCCN1Cc2ccsc2 269982a_100020605311_100011233845 [0,0,0,1,0,0|3,0,0]=4 5879 B13R2.29 C[C@H]1CCCN1Cc2ccsc2 270004a_100020605311_100000188534 [0,0,0,1,0,0|3,0,0]=4 5880 B13R2.29 C[C@H]1CCCN1Cc2cnco2 270004a_100020605311_100000064291 [0,0,0,1,0,0|2,0,0]=3 5881 B13R2.29 C[C@H]1CCCN1Cc2cncs2 2230a_100020605311_100015185245 [0,0,0,1,0,0|2,1,0]=4 5882 B13R2.29 C[C@H]1CCCN1Cc2cncs2 269982a_100020605311_100015185245 [0,0,0,1,0,0|2,1,0]=4 5883 B13R2.29 C[C@H]1CCCN1Cc2cncs2 270004a_100020605311_100000749870 [0,0,0,1,0,0|2,1,0]=4 5884 B13R2.29 C[C@H]1CCCN1Cc2cocn2 270004a_100020605311_100000050382 [0,0,0,1,0,0|3,0,0]=4 5885 B13R2.29 C[C@H]1CCCN1Cc2cscn2 2230a_100020605311_100000205941 [0,0,0,1,0,0|3,0,0]=4 5886 B13R2.29 C[C@H]1CCCN1Cc2cscn2 269982a_100020605311_100000205941 [0,0,0,1,0,0|3,0,0]=4 5887 B13R2.29 C[C@H]1CCCN1Cc2cscn2 270004a_100020605311_100000743575 [0,0,0,1,0,0|3,0,0]=4 5888 B13R2.29 C[C@H]1CCCN1Cc2ncc[nH]2 2230a_100020605311_100016991755 [0,0,0,1,0,0|3,0,0]=4 5889 B13R2.29 C[C@H]1CCCN1Cc2ncc[nH]2 269982a_100020605311_100016991755 [0,0,0,1,0,0|3,0,0]=4 5890 B13R2.29 C[C@H]1CCCN1Cc2ncco2 2230a_100020605311_103436540062 [0,0,0,1,0,0|2,0,0]=3 5891 B13R2.29 C[C@H]1CCCN1Cc2ncco2 269982a_100020605311_103436540062 [0,0,0,1,0,0|2,0,0]=3 5892 B13R2.29 C[C@H]1CCCN1Cc2ncco2 270004a_100020605311_100000064290 [0,0,0,1,0,0|2,0,0]=3 5893 B13R2.29 C[C@H]1CCCN1Cc2nccs2 2230a_100020605311_100015184050 [0,0,0,1,0,0|2,1,0]=4 5894 B13R2.29 C[C@H]1CCCN1Cc2nccs2 269982a_100020605311_100015184050 [0,0,0,1,0,0|2,1,0]=4 5895 B13R2.29 C[C@H]1CCCN1Cc2nccs2 270004a_100020605311_100000750902 [0,0,0,1,0,0|2,1,0]=4 5896 B13R2.29 O=C1CCCC1Sc2ccco2 62a_100000211823_100009814098 [0,0,0,1,0,0|2,0,1]=4 5897 B13R2.29 O=C1CCCC1Sc2ccco2 62a_100009814098_100000211823 [0,0,0,1,0,0|2,0,1]=4 5898 B13R2.29 OC1COCC1Sc2ccco2 62a_100009814098_200000725654 [0,0,0,1,0,0|3,0,0]=4 5899 B13R2.29 OC1COCC1Sc2ccco2 62a_200000725654_100009814098 [0,0,0,1,0,0|3,0,0]=4 5900 B13R2.29 O[C@@H]1CCC[C@H]1Sc2ccco2 62a_100009814098_200016002552 [0,0,0,1,0,0|2,0,0]=3 5901 B13R2.29 O[C@@H]1CCC[C@H]1Sc2ccco2 62a_200016002552_100009814098 [0,0,0,1,0,0|2,0,0]=3 5902 B13R2.29 O[C@@H]1CCC[C@H]1Sc2cccs2 62a_100011215356_200016002552 [0,0,0,1,0,0|2,1,0]=4 5903 B13R2.29 O[C@@H]1CCC[C@H]1Sc2cccs2 62a_200016002552_100011215356 [0,0,0,1,0,0|2,1,0]=4 5904 B13R2.29 O[C@@H]1CCC[C@H]1Sc2cnco2 62a_100020591547_200016002552 [0,0,0,1,0,0|3,0,0]=4 5905 B13R2.29 O[C@@H]1CCC[C@H]1Sc2cnco2 62a_200016002552_100020591547 [0,0,0,1,0,0|3,0,0]=4 5906 B13R2.29 O[C@@H]1CCC[C@H]1Sc2ncco2 62a_100011787736_200016002552 [0,0,0,1,0,0|3,0,0]=4 5907 B13R2.29 O[C@@H]1CCC[C@H]1Sc2ncco2 62a_200016002552_100011787736 [0,0,0,1,0,0|3,0,0]=4 5908 B13R2.29 [13CH3]N1CCCC1Cn2cccn2 2230a_100000753591_200025704644 [0,0,0,1,0,0|3,0,0]=4 5909 B13R2.29 [13CH3]N1CCCC1Cn2cccn2 269982a_100000753591_200025704644 [0,0,0,1,0,0|3,0,0]=4 5910 B13R2.29 [13CH3]N1CCCC1Cn2cccn2 34a_100000753591_200025704644 [0,0,0,1,0,0|3,0,0]=4 5911 B13R2.61 CCN1CCCC1c2ccco2 2230a_100011206061_100000210202 [0,0,0,1,0,0|1,0,0]=2 5912 B13R2.61 CCN1CCCC1c2ccco2 269982a_100011206061_100000204670 [0,0,0,1,0,0|1,0,0]=2 5913 B13R2.61 CCN1CCCC1c2cccs2 2230a_100000185107_100000210202 [0,0,0,1,0,0|1,1,0]=3 5914 B13R2.61 CCN1CCCC1c2cccs2 269982a_100000185107_100000204670 [0,0,0,1,0,0|1,1,0]=3 5915 B13R2.61 CCN1CCCC1c2cccs2 34a_100000185107_100000210202 [0,0,0,1,0,0|1,1,0]=3 5916 B13R2.61 CCN1CCCC1c2ncc[nH]2 2230a_100000696250_100000210202 [0,0,0,1,0,0|3,0,0]=4 5917 B13R2.61 CCN1CCCC1c2ncc[nH]2 269982a_100000696250_100000204670 [0,0,0,1,0,0|3,0,0]=4 5918 B13R2.61 CCN1CCCC1c2nccs2 2230a_100102564405_100000210202 [0,0,0,1,0,0|2,1,0]=4 5919 B13R2.61 CCN1CCCC1c2nccs2 269982a_100102564405_100000204670 [0,0,0,1,0,0|2,1,0]=4 5920 B13R2.61 FCN1CCCC1c2ccco2 269982a_100011206061_100015361967 [0,0,0,1,0,0|2,0,0]=3 5921 B13R2.61 FCN1CCCC1c2cccs2 269982a_100000185107_100015361967 [0,0,0,1,0,0|2,1,0]=4 5922 B13R2.61 FCN1CCCC1c2cccs2 34a_100000185107_100015361967 [0,0,0,1,0,0|2,1,0]=4 5923 B13R2.64 C1=CC(CCC1)Sc2ccco2 62a_100000751183_100009814098 [0,0,0,1,0,0|1,0,2]=4 5924 B13R2.64 C1=CC(CCC1)Sc2ccco2 62a_100009814098_100000751183 [0,0,0,1,0,0|1,0,2]=4 5925 B13R2.64 C1=CCN(C1)CC2CCCCC2 269982a_100015195280_100000211423 [0,0,0,1,0,0|2,0,1]=4 5926 B13R2.64 C1=CCN(CC1)Cc2ccco2 270004a_100000698166_100000186105 [0,0,0,1,0,0|1,0,2]=4 5927 B13R2.64 c1c[nH]c(n1)SC2CCCCC2 62a_100000210327_100025796157 [0,0,0,1,0,0|3,0,0]=4 5928 B13R2.64 c1c[nH]c(n1)SC2CCCCC2 62a_100025796157_100000210327 [0,0,0,1,0,0|3,0,0]=4 5929 B13R2.64 c1cc(co1)SC2CCCCC2 62a_100000210327_100011215275 [0,0,0,1,0,0|3,0,0]=4 5930 B13R2.64 c1cc(co1)SC2CCCCC2 62a_100011215275_100000210327 [0,0,0,1,0,0|3,0,0]=4 5931 B13R2.64 c1cc(cs1)OC2CCCCC2 34a_100000106738_100000210327 [0,0,0,1,0,0|3,0,0]=4 5932 B13R2.64 c1cc(cs1)OC2CCCCC2 7a_100000106738_100000210327 [0,0,0,1,0,0|3,0,0]=4 5933 B13R2.64 c1cc(cs1)SC2CCCCC2 62a_100000210327_100000738268 [0,0,0,1,0,0|3,0,0]=4 5934 B13R2.64 c1cc(cs1)SC2CCCCC2 62a_100000738268_100000210327 [0,0,0,1,0,0|3,0,0]=4 5935 B13R2.64 c1cc(n[nH]1)SC2CCCCC2 62a_100000062575_100000210327 [0,0,0,1,0,0|3,0,0]=4 5936 B13R2.64 c1cc(n[nH]1)SC2CCCCC2 62a_100000210327_100000062575 [0,0,0,1,0,0|3,0,0]=4 5937 B13R2.64 c1cc(no1)SC2CCCCC2 62a_100000210327_100009818083 [0,0,0,1,0,0|3,0,0]=4 5938 B13R2.64 c1cc(no1)SC2CCCCC2 62a_100009818083_100000210327 [0,0,0,1,0,0|3,0,0]=4 5939 B13R2.64 c1cc(ns1)SC2CCCCC2 62a_100000210327_100009818082 [0,0,0,1,0,0|3,0,0]=4 5940 B13R2.64 c1cc(ns1)SC2CCCCC2 62a_100009818082_100000210327 [0,0,0,1,0,0|3,0,0]=4 5941 B13R2.64 c1coc(c1)CN2CCCOC2 270004a_100000131196_100000186105 [0,0,0,1,0,0|2,0,0]=3 5942 B13R2.64 c1coc(c1)CN2CCOCC2 270004a_100015191051_100000186105 [0,0,0,1,0,0|2,0,0]=3 5943 B13R2.64 c1coc(c1)CN2CCSCC2 270004a_100000737611_100000186105 [0,0,0,1,0,0|2,0,0]=3 5944 B13R2.64 c1coc(c1)SC2CCCCC2 62a_100000210327_100009814098 [0,0,0,1,0,0|1,0,0]=2 5945 B13R2.64 c1coc(c1)SC2CCCCC2 62a_100009814098_100000210327 [0,0,0,1,0,0|1,0,0]=2 5946 B13R2.64 c1coc(c1)SC2CCCOC2 62a_100009814098_100000693364 [0,0,0,1,0,0|2,0,0]=3 5947 B13R2.64 c1coc(c1)SC2CCOCC2 62a_100009814098_100011324220 [0,0,0,1,0,0|2,0,0]=3 5948 B13R2.64 c1coc(c1)SC2CCSCC2 62a_100009814098_100000069128 [0,0,0,1,0,0|2,0,0]=3 5949 B13R2.64 c1coc(n1)CN2CCCOC2 2230a_100000131196_103436540062 [0,0,0,1,0,0|3,0,0]=4 5950 B13R2.64 c1coc(n1)CN2CCCOC2 269982a_100000131196_103436540062 [0,0,0,1,0,0|3,0,0]=4 5951 B13R2.64 c1coc(n1)CN2CCCOC2 270004a_100000131196_100000064290 [0,0,0,1,0,0|3,0,0]=4 5952 B13R2.64 c1coc(n1)CN2CCCOC2 34a_100000131196_103436540062 [0,0,0,1,0,0|3,0,0]=4 5953 B13R2.64 c1coc(n1)CN2CCOCC2 2230a_100015191051_103436540062 [0,0,0,1,0,0|3,0,0]=4 5954 B13R2.64 c1coc(n1)CN2CCOCC2 269982a_100015191051_103436540062 [0,0,0,1,0,0|3,0,0]=4 5955 B13R2.64 c1coc(n1)CN2CCOCC2 270004a_100015191051_100000064290 [0,0,0,1,0,0|3,0,0]=4 5956 B13R2.64 c1coc(n1)CN2CCOCC2 34a_100015191051_103436540062 [0,0,0,1,0,0|3,0,0]=4 5957 B13R2.64 c1coc(n1)CN2CCSCC2 2230a_100000737611_103436540062 [0,0,0,1,0,0|3,0,0]=4 5958 B13R2.64 c1coc(n1)CN2CCSCC2 269982a_100000737611_103436540062 [0,0,0,1,0,0|3,0,0]=4 5959 B13R2.64 c1coc(n1)CN2CCSCC2 270004a_100000737611_100000064290 [0,0,0,1,0,0|3,0,0]=4 5960 B13R2.64 c1coc(n1)SC2CCCCC2 62a_100000210327_100011787736 [0,0,0,1,0,0|2,0,0]=3 5961 B13R2.64 c1coc(n1)SC2CCCCC2 62a_100011787736_100000210327 [0,0,0,1,0,0|2,0,0]=3 5962 B13R2.64 c1coc(n1)SC2CCCOC2 62a_100011787736_100000693364 [0,0,0,1,0,0|3,0,0]=4 5963 B13R2.64 c1coc(n1)SC2CCOCC2 62a_100011787736_100011324220 [0,0,0,1,0,0|3,0,0]=4 5964 B13R2.64 c1coc(n1)SC2CCSCC2 62a_100011787736_100000069128 [0,0,0,1,0,0|3,0,0]=4 5965 B13R2.64 c1csc(c1)CN2CCCOC2 270004a_100000131196_100000209959 [0,0,0,1,0,0|2,1,0]=4 5966 B13R2.64 c1csc(c1)CN2CCOCC2 270004a_100015191051_100000209959 [0,0,0,1,0,0|2,1,0]=4 5967 B13R2.64 c1csc(c1)CN2CCSCC2 270004a_100000737611_100000209959 [0,0,0,1,0,0|2,1,0]=4 5968 B13R2.64 c1csc(c1)SC2CCCCC2 62a_100000210327_100011215356 [0,0,0,1,0,0|1,1,0]=3 5969 B13R2.64 c1csc(c1)SC2CCCCC2 62a_100011215356_100000210327 [0,0,0,1,0,0|1,1,0]=3 5970 B13R2.64 c1csc(c1)SC2CCCOC2 62a_100011215356_100000693364 [0,0,0,1,0,0|2,1,0]=4 5971 B13R2.64 c1csc(c1)SC2CCOCC2 62a_100011215356_100011324220 [0,0,0,1,0,0|2,1,0]=4 5972 B13R2.64 c1csc(c1)SC2CCSCC2 62a_100011215356_100000069128 [0,0,0,1,0,0|2,1,0]=4 5973 B13R2.64 c1csc(n1)SC2CCCCC2 62a_100000210327_100000211983 [0,0,0,1,0,0|2,1,0]=4 5974 B13R2.64 c1csc(n1)SC2CCCCC2 62a_100000211983_100000210327 [0,0,0,1,0,0|2,1,0]=4 5975 B13R2.64 c1nc(c[nH]1)SC2CCCCC2 62a_100000210327_100000756875 [0,0,0,1,0,0|3,0,0]=4 5976 B13R2.64 c1nc(c[nH]1)SC2CCCCC2 62a_100000756875_100000210327 [0,0,0,1,0,0|3,0,0]=4 5977 B13R2.64 c1nc(cs1)SC2CCCCC2 62a_100000210327_100000751502 [0,0,0,1,0,0|3,0,0]=4 5978 B13R2.64 c1nc(cs1)SC2CCCCC2 62a_100000751502_100000210327 [0,0,0,1,0,0|3,0,0]=4 5979 B13R2.64 c1ncc(o1)CN2CCCOC2 270004a_100000131196_100000064291 [0,0,0,1,0,0|3,0,0]=4 5980 B13R2.64 c1ncc(o1)CN2CCOCC2 270004a_100015191051_100000064291 [0,0,0,1,0,0|3,0,0]=4 5981 B13R2.64 c1ncc(o1)CN2CCSCC2 270004a_100000737611_100000064291 [0,0,0,1,0,0|3,0,0]=4 5982 B13R2.64 c1ncc(o1)SC2CCCCC2 62a_100000210327_100020591547 [0,0,0,1,0,0|2,0,0]=3 5983 B13R2.64 c1ncc(o1)SC2CCCCC2 62a_100020591547_100000210327 [0,0,0,1,0,0|2,0,0]=3 5984 B13R2.64 c1ncc(o1)SC2CCCOC2 62a_100020591547_100000693364 [0,0,0,1,0,0|3,0,0]=4 5985 B13R2.64 c1ncc(o1)SC2CCOCC2 62a_100020591547_100011324220 [0,0,0,1,0,0|3,0,0]=4 5986 B13R2.64 c1ncc(o1)SC2CCSCC2 62a_100020591547_100000069128 [0,0,0,1,0,0|3,0,0]=4 5987 B13R2.64 c1ncc(s1)SC2CCCCC2 62a_100000210327_100011934649 [0,0,0,1,0,0|2,1,0]=4 5988 B13R2.64 c1ncc(s1)SC2CCCCC2 62a_100011934649_100000210327 [0,0,0,1,0,0|2,1,0]=4 5989 B13R2.158 CC1CCN1CCc2c[nH]cn2 269982a_100000755817_100020628418 [0,0,0,1,0,0|3,0,0]=4 5990 B13R2.158 CC1CCN1CCc2cccs2 269982a_100000755817_100000748579 [0,0,0,1,0,0|1,1,0]=3 5991 B13R2.158 CC1CCN1CCc2cccs2 34a_100000755817_100000748579 [0,0,0,1,0,0|1,1,0]=3 5992 B13R2.158 CC1CCN1CCn2cccc2 269982a_100000755817_200000035178 [0,0,0,1,0,0|3,0,0]=4 5993 B13R2.158 CC1CCN1CCn2cccn2 269982a_100000755817_100000685285 [0,0,0,1,0,0|3,0,0]=4 5994 B13R2.158 CC1CCN1CCn2cccn2 34a_100000755817_100015204718 [0,0,0,1,0,0|3,0,0]=4 5995 B13R2.158 O=C1CCC1NCc2ccco2 34a_100000185738_100009892977 [0,0,0,1,0,0|2,0,1]=4 5996 B13R2.158 O=C1CCC1OCc2ccco2 34a_100000210059_100009892977 [0,0,0,1,0,0|2,0,1]=4 5997 B13R2.183 C1=CCC(C1)NCc2ccco2 207a_100015188752_100000186105 [0,0,0,1,0,0|1,0,2]=4 5998 B13R2.183 C1=CCC(C1)NCc2ccco2 270004a_100015188752_100000186105 [0,0,0,1,0,0|1,0,2]=4 5999 B13R2.183 C1=CCN(C1)CCC2CCCC2 269982a_100015195280_100000760354 [0,0,0,1,0,0|2,0,1]=4 6000 B13R2.183 c1c[nH]c(n1)CNC2CCCC2 207a_100000211070_100000743867 [0,0,0,1,0,0|3,0,0]=4 6001 B13R2.183 c1c[nH]c(n1)CNC2CCCC2 2230a_100000211070_100016991755 [0,0,0,1,0,0|3,0,0]=4 6002 B13R2.183 c1c[nH]c(n1)CNC2CCCC2 270004a_100000754540_100000210133 [0,0,0,1,0,0|3,0,0]=4 6003 B13R2.183 c1c[nH]c(n1)CNC2CCCC2 34a_100000211070_100016991755 [0,0,0,1,0,0|3,0,0]=4 6004 B13R2.183 c1c[nH]c(n1)COC2CCCC2 34a_100000210269_100016991755 [0,0,0,1,0,0|3,0,0]=4 6005 B13R2.183 c1c[nH]c(n1)COC2CCCC2 7a_100000210269_100000753453 [0,0,0,1,0,0|3,0,0]=4 6006 B13R2.183 c1c[nH]c(n1)CSC2CCCC2 62a_100011217020_100016991755 [0,0,0,1,0,0|3,0,0]=4 6007 B13R2.183 c1c[nH]c(n1)CSC2CCCC2 62a_100016991755_100000179811 [0,0,0,1,0,0|3,0,0]=4 6008 B13R2.183 c1c[nH]c(n1)SCC2CCCC2 62a_100000740388_100025796157 [0,0,0,1,0,0|3,0,0]=4 6009 B13R2.183 c1c[nH]c(n1)SCC2CCCC2 62a_100025796157_100000740388 [0,0,0,1,0,0|3,0,0]=4 6010 B13R2.183 c1cc([nH]n1)CNC2CCCC2 2230a_100000211070_100000728653 [0,0,0,1,0,0|3,0,0]=4 6011 B13R2.183 c1cc([nH]n1)CNC2CCCC2 34a_100000211070_100000728653 [0,0,0,1,0,0|3,0,0]=4 6012 B13R2.183 c1cc([nH]n1)COC2CCCC2 34a_100000210269_100000728653 [0,0,0,1,0,0|3,0,0]=4 6013 B13R2.183 c1cc([nH]n1)COC2CCCC2 7a_100000210269_100000728653 [0,0,0,1,0,0|3,0,0]=4 6014 B13R2.183 c1cc([nH]n1)CSC2CCCC2 62a_100000728653_100000179811 [0,0,0,1,0,0|3,0,0]=4 6015 B13R2.183 c1cc([nH]n1)CSC2CCCC2 62a_100011217020_100000728653 [0,0,0,1,0,0|3,0,0]=4 6016 B13R2.183 c1cc(co1)CNC2CCCC2 207a_100000211070_100011215517 [0,0,0,1,0,0|3,0,0]=4 6017 B13R2.183 c1cc(co1)CNC2CCCC2 2230a_100015206860_100000179811 [0,0,0,1,0,0|3,0,0]=4 6018 B13R2.183 c1cc(co1)CNC2CCCC2 270004a_100000211070_100011215517 [0,0,0,1,0,0|3,0,0]=4 6019 B13R2.183 c1cc(co1)CNC2CCCC2 270004a_100015206860_100000210133 [0,0,0,1,0,0|3,0,0]=4 6020 B13R2.183 c1cc(co1)CNC2CCCC2 34a_100015206860_100000179811 [0,0,0,1,0,0|3,0,0]=4 6021 B13R2.183 c1cc(co1)COC2CCCC2 34a_100011215357_100000179811 [0,0,0,1,0,0|3,0,0]=4 6022 B13R2.183 c1cc(co1)SCC2CCCC2 62a_100000740388_100011215275 [0,0,0,1,0,0|3,0,0]=4 6023 B13R2.183 c1cc(co1)SCC2CCCC2 62a_100011215275_100000740388 [0,0,0,1,0,0|3,0,0]=4 6024 B13R2.183 c1cc(cs1)CNC2CCCC2 207a_100000211070_100000188534 [0,0,0,1,0,0|3,0,0]=4 6025 B13R2.183 c1cc(cs1)CNC2CCCC2 2230a_100000186416_100000179811 [0,0,0,1,0,0|3,0,0]=4 6026 B13R2.183 c1cc(cs1)CNC2CCCC2 2230a_100000211070_100011261437 [0,0,0,1,0,0|3,0,0]=4 6027 B13R2.183 c1cc(cs1)CNC2CCCC2 270004a_100000186416_100000210133 [0,0,0,1,0,0|3,0,0]=4 6028 B13R2.183 c1cc(cs1)CNC2CCCC2 270004a_100000211070_100000188534 [0,0,0,1,0,0|3,0,0]=4 6029 B13R2.183 c1cc(cs1)CNC2CCCC2 34a_100000186416_100000179811 [0,0,0,1,0,0|3,0,0]=4 6030 B13R2.183 c1cc(cs1)CNC2CCCC2 34a_100000211070_100011261437 [0,0,0,1,0,0|3,0,0]=4 6031 B13R2.183 c1cc(cs1)COC2CCCC2 34a_100000210269_100011261437 [0,0,0,1,0,0|3,0,0]=4 6032 B13R2.183 c1cc(cs1)COC2CCCC2 34a_100011215551_100000179811 [0,0,0,1,0,0|3,0,0]=4 6033 B13R2.183 c1cc(cs1)COC2CCCC2 7a_100000210269_100011261437 [0,0,0,1,0,0|3,0,0]=4 6034 B13R2.183 c1cc(cs1)CSC2CCCC2 62a_100011217020_100011233845 [0,0,0,1,0,0|3,0,0]=4 6035 B13R2.183 c1cc(cs1)CSC2CCCC2 62a_100011261437_100000179811 [0,0,0,1,0,0|3,0,0]=4 6036 B13R2.183 c1cc(cs1)OCC2CCCC2 34a_100000106738_100000740388 [0,0,0,1,0,0|3,0,0]=4 6037 B13R2.183 c1cc(cs1)OCC2CCCC2 7a_100000106738_100000740388 [0,0,0,1,0,0|3,0,0]=4 6038 B13R2.183 c1cc(cs1)SCC2CCCC2 62a_100000738268_100000740388 [0,0,0,1,0,0|3,0,0]=4 6039 B13R2.183 c1cc(cs1)SCC2CCCC2 62a_100000740388_100000738268 [0,0,0,1,0,0|3,0,0]=4 6040 B13R2.183 c1cc(n[nH]1)CNC2CCCC2 207a_100000211070_100000738523 [0,0,0,1,0,0|3,0,0]=4 6041 B13R2.183 c1cc(n[nH]1)CNC2CCCC2 270004a_100000211070_100000738523 [0,0,0,1,0,0|3,0,0]=4 6042 B13R2.183 c1cc(n[nH]1)SCC2CCCC2 62a_100000062575_100000740388 [0,0,0,1,0,0|3,0,0]=4 6043 B13R2.183 c1cc(n[nH]1)SCC2CCCC2 62a_100000740388_100000062575 [0,0,0,1,0,0|3,0,0]=4 6044 B13R2.183 c1cc(no1)CNC2CCCC2 2230a_100000211070_100000234950 [0,0,0,1,0,0|3,0,0]=4 6045 B13R2.183 c1cc(no1)CNC2CCCC2 270004a_100000688301_100000210133 [0,0,0,1,0,0|3,0,0]=4 6046 B13R2.183 c1cc(no1)CNC2CCCC2 34a_100000211070_100000234950 [0,0,0,1,0,0|3,0,0]=4 6047 B13R2.183 c1cc(no1)COC2CCCC2 34a_100000210269_100000234950 [0,0,0,1,0,0|3,0,0]=4 6048 B13R2.183 c1cc(no1)COC2CCCC2 7a_100000210269_100000234950 [0,0,0,1,0,0|3,0,0]=4 6049 B13R2.183 c1cc(no1)CSC2CCCC2 62a_100000234950_100000179811 [0,0,0,1,0,0|3,0,0]=4 6050 B13R2.183 c1cc(no1)CSC2CCCC2 62a_100011217020_100000234950 [0,0,0,1,0,0|3,0,0]=4 6051 B13R2.183 c1cc(no1)SCC2CCCC2 62a_100000740388_100009818083 [0,0,0,1,0,0|3,0,0]=4 6052 B13R2.183 c1cc(no1)SCC2CCCC2 62a_100009818083_100000740388 [0,0,0,1,0,0|3,0,0]=4 6053 B13R2.183 c1cc(ns1)SCC2CCCC2 62a_100000740388_100009818082 [0,0,0,1,0,0|3,0,0]=4 6054 B13R2.183 c1cc(ns1)SCC2CCCC2 62a_100009818082_100000740388 [0,0,0,1,0,0|3,0,0]=4 6055 B13R2.183 c1cc(on1)COC2CCCC2 34a_100000740478_100000179811 [0,0,0,1,0,0|2,0,0]=3 6056 B13R2.183 c1cc(on1)COC2CCOC2 34a_100000740478_100000690089 [0,0,0,1,0,0|3,0,0]=4 6057 B13R2.183 c1ccn(c1)CCN2CCCC2 2230a_100000188435_200009811947 [0,0,0,1,0,0|3,0,0]=4 6058 B13R2.183 c1ccn(c1)CCN2CCCC2 269982a_100000188435_200000035178 [0,0,0,1,0,0|3,0,0]=4 6059 B13R2.183 c1cnn(c1)CCN2CCCC2 2230a_100000188435_100000685285 [0,0,0,1,0,0|3,0,0]=4 6060 B13R2.183 c1cnn(c1)CCN2CCCC2 269982a_100000188435_100000685285 [0,0,0,1,0,0|3,0,0]=4 6061 B13R2.183 c1cnn(c1)COC2CCCC2 34a_100000731028_100000179811 [0,0,0,1,0,0|3,0,0]=4 6062 B13R2.183 c1coc(c1)CNC2CCCC2 207a_100000211070_100000186105 [0,0,0,1,0,0|1,0,0]=2 6063 B13R2.183 c1coc(c1)CNC2CCCC2 2230a_100000185738_100000179811 [0,0,0,1,0,0|1,0,0]=2 6064 B13R2.183 c1coc(c1)CNC2CCCC2 270004a_100000185738_100000210133 [0,0,0,1,0,0|1,0,0]=2 6065 B13R2.183 c1coc(c1)CNC2CCCC2 270004a_100000211070_100000186105 [0,0,0,1,0,0|1,0,0]=2 6066 B13R2.183 c1coc(c1)CNC2CCCC2 34a_100000185738_100000179811 [0,0,0,1,0,0|1,0,0]=2 6067 B13R2.183 c1coc(c1)CNC2CCOC2 2230a_100000185738_100000731011 [0,0,0,1,0,0|2,0,0]=3 6068 B13R2.183 c1coc(c1)CNC2CCOC2 270004a_100000185738_100000752484 [0,0,0,1,0,0|2,0,0]=3 6069 B13R2.183 c1coc(c1)CNC2CCOC2 34a_100000185738_100000690089 [0,0,0,1,0,0|2,0,0]=3 6070 B13R2.183 c1coc(c1)CNC2CCSC2 270004a_100000185738_100000212027 [0,0,0,1,0,0|2,0,0]=3 6071 B13R2.183 c1coc(c1)CN[C@@H]2CCOC2 207a_200015188469_100000186105 [0,0,0,1,0,0|2,0,0]=3 6072 B13R2.183 c1coc(c1)CN[C@@H]2CCOC2 270004a_200015188469_100000186105 [0,0,0,1,0,0|2,0,0]=3 6073 B13R2.183 c1coc(c1)CN[C@H]2CCOC2 207a_100015188467_100000186105 [0,0,0,1,0,0|2,0,0]=3 6074 B13R2.183 c1coc(c1)CN[C@H]2CCOC2 270004a_100015188467_100000186105 [0,0,0,1,0,0|2,0,0]=3 6075 B13R2.183 c1coc(c1)COC2CCCC2 34a_100000210059_100000179811 [0,0,0,1,0,0|1,0,0]=2 6076 B13R2.183 c1coc(c1)COC2CCOC2 34a_100000210059_100000690089 [0,0,0,1,0,0|2,0,0]=3 6077 B13R2.183 c1coc(c1)SCC2CCCC2 62a_100000740388_100009814098 [0,0,0,1,0,0|1,0,0]=2 6078 B13R2.183 c1coc(c1)SCC2CCCC2 62a_100009814098_100000740388 [0,0,0,1,0,0|1,0,0]=2 6079 B13R2.183 c1coc(c1)SCC2CCCO2 62a_100000203698_100009814098 [0,0,0,1,0,0|2,0,0]=3 6080 B13R2.183 c1coc(c1)SCC2CCCO2 62a_100009814098_100000203698 [0,0,0,1,0,0|2,0,0]=3 6081 B13R2.183 c1coc(c1)SCC2CCOC2 62a_100000702531_100009814098 [0,0,0,1,0,0|2,0,0]=3 6082 B13R2.183 c1coc(c1)SCC2CCOC2 62a_100009814098_100000702531 [0,0,0,1,0,0|2,0,0]=3 6083 B13R2.183 c1coc(c1)SCC2OCCO2 62a_100000755774_100009814098 [0,0,0,1,0,0|3,0,0]=4 6084 B13R2.183 c1coc(c1)SCC2OCCO2 62a_100009814098_100000755774 [0,0,0,1,0,0|3,0,0]=4 6085 B13R2.183 c1coc(n1)CNC2CCCC2 2230a_100000211070_103436540062 [0,0,0,1,0,0|2,0,0]=3 6086 B13R2.183 c1coc(n1)CNC2CCCC2 2230a_100016994969_100000179811 [0,0,0,1,0,0|2,0,0]=3 6087 B13R2.183 c1coc(n1)CNC2CCCC2 270004a_100000211070_100000064290 [0,0,0,1,0,0|2,0,0]=3 6088 B13R2.183 c1coc(n1)CNC2CCCC2 34a_100000211070_103436540062 [0,0,0,1,0,0|2,0,0]=3 6089 B13R2.183 c1coc(n1)CNC2CCOC2 2230a_100016994969_100000731011 [0,0,0,1,0,0|3,0,0]=4 6090 B13R2.183 c1coc(n1)CN[C@@H]2CCOC2 2230a_200015188469_103436540062 [0,0,0,1,0,0|3,0,0]=4 6091 B13R2.183 c1coc(n1)CN[C@@H]2CCOC2 270004a_200015188469_100000064290 [0,0,0,1,0,0|3,0,0]=4 6092 B13R2.183 c1coc(n1)CN[C@H]2CCOC2 2230a_100015188467_103436540062 [0,0,0,1,0,0|3,0,0]=4 6093 B13R2.183 c1coc(n1)CN[C@H]2CCOC2 270004a_100015188467_100000064290 [0,0,0,1,0,0|3,0,0]=4 6094 B13R2.183 c1coc(n1)CN[C@H]2CCOC2 34a_100015188467_103436540062 [0,0,0,1,0,0|3,0,0]=4 6095 B13R2.183 c1coc(n1)COC2CCCC2 34a_100000062594_100000179811 [0,0,0,1,0,0|2,0,0]=3 6096 B13R2.183 c1coc(n1)COC2CCCC2 34a_100000210269_103436540062 [0,0,0,1,0,0|2,0,0]=3 6097 B13R2.183 c1coc(n1)COC2CCCC2 7a_100000210269_103436540062 [0,0,0,1,0,0|2,0,0]=3 6098 B13R2.183 c1coc(n1)COC2CCCO2 34a_100000085407_103436540062 [0,0,0,1,0,0|3,0,0]=4 6099 B13R2.183 c1coc(n1)COC2CCOC2 34a_100000062594_100000690089 [0,0,0,1,0,0|3,0,0]=4 6100 B13R2.183 c1coc(n1)COC2CCSC2 7a_100011232664_103436540062 [0,0,0,1,0,0|3,0,0]=4 6101 B13R2.183 c1coc(n1)CO[C@H]2CCOC2 34a_100000717292_103436540062 [0,0,0,1,0,0|3,0,0]=4 6102 B13R2.183 c1coc(n1)CSC2CCCC2 62a_100011217020_103436540062 [0,0,0,1,0,0|2,0,0]=3 6103 B13R2.183 c1coc(n1)CSC2CCCC2 62a_103436540062_100000179811 [0,0,0,1,0,0|2,0,0]=3 6104 B13R2.183 c1coc(n1)CSC2CCOC2 62a_103436540062_100000690089 [0,0,0,1,0,0|3,0,0]=4 6105 B13R2.183 c1coc(n1)SCC2CCCC2 62a_100000740388_100011787736 [0,0,0,1,0,0|2,0,0]=3 6106 B13R2.183 c1coc(n1)SCC2CCCC2 62a_100011787736_100000740388 [0,0,0,1,0,0|2,0,0]=3 6107 B13R2.183 c1coc(n1)SCC2CCCO2 62a_100000203698_100011787736 [0,0,0,1,0,0|3,0,0]=4 6108 B13R2.183 c1coc(n1)SCC2CCCO2 62a_100011787736_100000203698 [0,0,0,1,0,0|3,0,0]=4 6109 B13R2.183 c1coc(n1)SCC2CCOC2 62a_100000702531_100011787736 [0,0,0,1,0,0|3,0,0]=4 6110 B13R2.183 c1coc(n1)SCC2CCOC2 62a_100011787736_100000702531 [0,0,0,1,0,0|3,0,0]=4 6111 B13R2.183 c1csc(c1)CCN2CCCC2 2230a_100000188435_100000748579 [0,0,0,1,0,0|1,1,0]=3 6112 B13R2.183 c1csc(c1)CCN2CCCC2 269982a_100000188435_100000748579 [0,0,0,1,0,0|1,1,0]=3 6113 B13R2.183 c1csc(c1)CCN2CCSC2 2230a_100011215254_100000748579 [0,0,0,1,0,0|2,1,0]=4 6114 B13R2.183 c1csc(c1)CCN2CCSC2 269982a_100011215254_100000748579 [0,0,0,1,0,0|2,1,0]=4 6115 B13R2.183 c1csc(c1)CNC2CCCC2 207a_100000211070_100000209959 [0,0,0,1,0,0|1,1,0]=3 6116 B13R2.183 c1csc(c1)CNC2CCCC2 2230a_100000211653_100000179811 [0,0,0,1,0,0|1,1,0]=3 6117 B13R2.183 c1csc(c1)CNC2CCCC2 270004a_100000211070_100000209959 [0,0,0,1,0,0|1,1,0]=3 6118 B13R2.183 c1csc(c1)CNC2CCCC2 270004a_100000211653_100000210133 [0,0,0,1,0,0|1,1,0]=3 6119 B13R2.183 c1csc(c1)CNC2CCOC2 2230a_100000211653_100000731011 [0,0,0,1,0,0|2,1,0]=4 6120 B13R2.183 c1csc(c1)CNC2CCOC2 270004a_100000211653_100000752484 [0,0,0,1,0,0|2,1,0]=4 6121 B13R2.183 c1csc(c1)CNC2CCSC2 270004a_100000211653_100000212027 [0,0,0,1,0,0|2,1,0]=4 6122 B13R2.183 c1csc(c1)CN[C@@H]2CCOC2 207a_200015188469_100000209959 [0,0,0,1,0,0|2,1,0]=4 6123 B13R2.183 c1csc(c1)CN[C@@H]2CCOC2 270004a_200015188469_100000209959 [0,0,0,1,0,0|2,1,0]=4 6124 B13R2.183 c1csc(c1)CN[C@H]2CCOC2 207a_100015188467_100000209959 [0,0,0,1,0,0|2,1,0]=4 6125 B13R2.183 c1csc(c1)CN[C@H]2CCOC2 270004a_100015188467_100000209959 [0,0,0,1,0,0|2,1,0]=4 6126 B13R2.183 c1csc(c1)COC2CCCC2 34a_100000211240_100000179811 [0,0,0,1,0,0|1,1,0]=3 6127 B13R2.183 c1csc(c1)COC2CCOC2 34a_100000211240_100000690089 [0,0,0,1,0,0|2,1,0]=4 6128 B13R2.183 c1csc(c1)SCC2CCCC2 62a_100000740388_100011215356 [0,0,0,1,0,0|1,1,0]=3 6129 B13R2.183 c1csc(c1)SCC2CCCC2 62a_100011215356_100000740388 [0,0,0,1,0,0|1,1,0]=3 6130 B13R2.183 c1csc(c1)SCC2CCCO2 62a_100000203698_100011215356 [0,0,0,1,0,0|2,1,0]=4 6131 B13R2.183 c1csc(c1)SCC2CCCO2 62a_100011215356_100000203698 [0,0,0,1,0,0|2,1,0]=4 6132 B13R2.183 c1csc(c1)SCC2CCOC2 62a_100000702531_100011215356 [0,0,0,1,0,0|2,1,0]=4 6133 B13R2.183 c1csc(c1)SCC2CCOC2 62a_100011215356_100000702531 [0,0,0,1,0,0|2,1,0]=4 6134 B13R2.183 c1csc(n1)CNC2CCCC2 207a_100000211070_100000750902 [0,0,0,1,0,0|2,1,0]=4 6135 B13R2.183 c1csc(n1)CNC2CCCC2 2230a_100000211070_100015184050 [0,0,0,1,0,0|2,1,0]=4 6136 B13R2.183 c1csc(n1)CNC2CCCC2 2230a_100000740555_100000179811 [0,0,0,1,0,0|2,1,0]=4 6137 B13R2.183 c1csc(n1)CNC2CCCC2 270004a_100000211070_100000750902 [0,0,0,1,0,0|2,1,0]=4 6138 B13R2.183 c1csc(n1)CNC2CCCC2 270004a_100000740555_100000210133 [0,0,0,1,0,0|2,1,0]=4 6139 B13R2.183 c1csc(n1)CNC2CCCC2 34a_100000211070_100015184050 [0,0,0,1,0,0|2,1,0]=4 6140 B13R2.183 c1csc(n1)COC2CCCC2 34a_100000210269_100015184050 [0,0,0,1,0,0|2,1,0]=4 6141 B13R2.183 c1csc(n1)COC2CCCC2 7a_100000210269_100015184050 [0,0,0,1,0,0|2,1,0]=4 6142 B13R2.183 c1csc(n1)CSC2CCCC2 62a_100011217020_100015184050 [0,0,0,1,0,0|2,1,0]=4 6143 B13R2.183 c1csc(n1)CSC2CCCC2 62a_100015184050_100000179811 [0,0,0,1,0,0|2,1,0]=4 6144 B13R2.183 c1csc(n1)SCC2CCCC2 62a_100000211983_100000740388 [0,0,0,1,0,0|2,1,0]=4 6145 B13R2.183 c1csc(n1)SCC2CCCC2 62a_100000740388_100000211983 [0,0,0,1,0,0|2,1,0]=4 6146 B13R2.183 c1nc(c[nH]1)CCN2CCCC2 2230a_100000188435_100020628418 [0,0,0,1,0,0|3,0,0]=4 6147 B13R2.183 c1nc(c[nH]1)CCN2CCCC2 269982a_100000188435_100020628418 [0,0,0,1,0,0|3,0,0]=4 6148 B13R2.183 c1nc(c[nH]1)CNC2CCCC2 2230a_100000211070_100000707719 [0,0,0,1,0,0|3,0,0]=4 6149 B13R2.183 c1nc(c[nH]1)CNC2CCCC2 34a_100000211070_100000707719 [0,0,0,1,0,0|3,0,0]=4 6150 B13R2.183 c1nc(c[nH]1)COC2CCCC2 34a_100000210269_100000707719 [0,0,0,1,0,0|3,0,0]=4 6151 B13R2.183 c1nc(c[nH]1)CSC2CCCC2 62a_100000707719_100000179811 [0,0,0,1,0,0|3,0,0]=4 6152 B13R2.183 c1nc(c[nH]1)CSC2CCCC2 62a_100011217020_100000707719 [0,0,0,1,0,0|3,0,0]=4 6153 B13R2.183 c1nc(c[nH]1)SCC2CCCC2 62a_100000740388_100000756875 [0,0,0,1,0,0|3,0,0]=4 6154 B13R2.183 c1nc(c[nH]1)SCC2CCCC2 62a_100000756875_100000740388 [0,0,0,1,0,0|3,0,0]=4 6155 B13R2.183 c1nc(co1)CNC2CCCC2 270004a_100000211070_100000050382 [0,0,0,1,0,0|3,0,0]=4 6156 B13R2.183 c1nc(co1)CNC2CCCC2 270004a_100015188801_100000210133 [0,0,0,1,0,0|3,0,0]=4 6157 B13R2.183 c1nc(cs1)CNC2CCCC2 207a_100000211070_100000743575 [0,0,0,1,0,0|3,0,0]=4 6158 B13R2.183 c1nc(cs1)CNC2CCCC2 2230a_100000211070_100000205941 [0,0,0,1,0,0|3,0,0]=4 6159 B13R2.183 c1nc(cs1)CNC2CCCC2 2230a_100015185402_100000179811 [0,0,0,1,0,0|3,0,0]=4 6160 B13R2.183 c1nc(cs1)CNC2CCCC2 270004a_100000211070_100000743575 [0,0,0,1,0,0|3,0,0]=4 6161 B13R2.183 c1nc(cs1)CNC2CCCC2 34a_100000211070_100000205941 [0,0,0,1,0,0|3,0,0]=4 6162 B13R2.183 c1nc(cs1)COC2CCCC2 34a_100000210269_100000205941 [0,0,0,1,0,0|3,0,0]=4 6163 B13R2.183 c1nc(cs1)COC2CCCC2 7a_100000210269_100000205941 [0,0,0,1,0,0|3,0,0]=4 6164 B13R2.183 c1nc(cs1)CSC2CCCC2 62a_100000205941_100000179811 [0,0,0,1,0,0|3,0,0]=4 6165 B13R2.183 c1nc(cs1)CSC2CCCC2 62a_100011217020_100000205941 [0,0,0,1,0,0|3,0,0]=4 6166 B13R2.183 c1nc(cs1)SCC2CCCC2 62a_100000740388_100000751502 [0,0,0,1,0,0|3,0,0]=4 6167 B13R2.183 c1nc(cs1)SCC2CCCC2 62a_100000751502_100000740388 [0,0,0,1,0,0|3,0,0]=4 6168 B13R2.183 c1ncc([nH]1)CNC2CCCC2 207a_100000211070_100000742939 [0,0,0,1,0,0|3,0,0]=4 6169 B13R2.183 c1ncc(o1)CNC2CCCC2 270004a_100000211070_100000064291 [0,0,0,1,0,0|2,0,0]=3 6170 B13R2.183 c1ncc(o1)CNC2CCCC2 270004a_100020634212_100000210133 [0,0,0,1,0,0|2,0,0]=3 6171 B13R2.183 c1ncc(o1)CNC2CCOC2 270004a_100020634212_100000752484 [0,0,0,1,0,0|3,0,0]=4 6172 B13R2.183 c1ncc(o1)CNC2CCSC2 270004a_100020634212_100000212027 [0,0,0,1,0,0|3,0,0]=4 6173 B13R2.183 c1ncc(o1)CN[C@@H]2CCOC2 270004a_200015188469_100000064291 [0,0,0,1,0,0|3,0,0]=4 6174 B13R2.183 c1ncc(o1)CN[C@H]2CCOC2 270004a_100015188467_100000064291 [0,0,0,1,0,0|3,0,0]=4 6175 B13R2.183 c1ncc(o1)SCC2CCCC2 62a_100000740388_100020591547 [0,0,0,1,0,0|2,0,0]=3 6176 B13R2.183 c1ncc(o1)SCC2CCCC2 62a_100020591547_100000740388 [0,0,0,1,0,0|2,0,0]=3 6177 B13R2.183 c1ncc(o1)SCC2CCCO2 62a_100000203698_100020591547 [0,0,0,1,0,0|3,0,0]=4 6178 B13R2.183 c1ncc(o1)SCC2CCCO2 62a_100020591547_100000203698 [0,0,0,1,0,0|3,0,0]=4 6179 B13R2.183 c1ncc(o1)SCC2CCOC2 62a_100000702531_100020591547 [0,0,0,1,0,0|3,0,0]=4 6180 B13R2.183 c1ncc(o1)SCC2CCOC2 62a_100020591547_100000702531 [0,0,0,1,0,0|3,0,0]=4 6181 B13R2.183 c1ncc(s1)CNC2CCCC2 207a_100000211070_100000749870 [0,0,0,1,0,0|2,1,0]=4 6182 B13R2.183 c1ncc(s1)CNC2CCCC2 2230a_100000211070_100015185245 [0,0,0,1,0,0|2,1,0]=4 6183 B13R2.183 c1ncc(s1)CNC2CCCC2 2230a_100016987365_100000179811 [0,0,0,1,0,0|2,1,0]=4 6184 B13R2.183 c1ncc(s1)CNC2CCCC2 270004a_100000211070_100000749870 [0,0,0,1,0,0|2,1,0]=4 6185 B13R2.183 c1ncc(s1)CNC2CCCC2 270004a_100016987365_100000210133 [0,0,0,1,0,0|2,1,0]=4 6186 B13R2.183 c1ncc(s1)CNC2CCCC2 34a_100000211070_100015185245 [0,0,0,1,0,0|2,1,0]=4 6187 B13R2.183 c1ncc(s1)COC2CCCC2 34a_100000210269_100015185245 [0,0,0,1,0,0|2,1,0]=4 6188 B13R2.183 c1ncc(s1)COC2CCCC2 7a_100000210269_100015185245 [0,0,0,1,0,0|2,1,0]=4 6189 B13R2.183 c1ncc(s1)CSC2CCCC2 62a_100011217020_100015185245 [0,0,0,1,0,0|2,1,0]=4 6190 B13R2.183 c1ncc(s1)CSC2CCCC2 62a_100015185245_100000179811 [0,0,0,1,0,0|2,1,0]=4 6191 B13R2.183 c1ncc(s1)SCC2CCCC2 62a_100000740388_100011934649 [0,0,0,1,0,0|2,1,0]=4 6192 B13R2.183 c1ncc(s1)SCC2CCCC2 62a_100011934649_100000740388 [0,0,0,1,0,0|2,1,0]=4 6193 B13R2.196 CC1CC1COCc2c[nH]cn2 34a_100000744939_100000707719 [0,0,0,1,0,0|3,0,0]=4 6194 B13R2.196 CC1CC1COCc2ccn[nH]2 34a_100000744939_100000728653 [0,0,0,1,0,0|3,0,0]=4 6195 B13R2.196 CC1CC1COCc2ccn[nH]2 7a_100000744939_100000728653 [0,0,0,1,0,0|3,0,0]=4 6196 B13R2.196 CC1CC1COCc2ccon2 34a_100000744939_100000234950 [0,0,0,1,0,0|3,0,0]=4 6197 B13R2.196 CC1CC1COCc2ccon2 7a_100000744939_100000234950 [0,0,0,1,0,0|3,0,0]=4 6198 B13R2.196 CC1CC1COCc2ccsc2 34a_100000744939_100011261437 [0,0,0,1,0,0|3,0,0]=4 6199 B13R2.196 CC1CC1COCc2ccsc2 7a_100000744939_100011261437 [0,0,0,1,0,0|3,0,0]=4 6200 B13R2.196 CC1CC1COCc2cncs2 34a_100000744939_100015185245 [0,0,0,1,0,0|2,1,0]=4 6201 B13R2.196 CC1CC1COCc2cncs2 7a_100000744939_100015185245 [0,0,0,1,0,0|2,1,0]=4 6202 B13R2.196 CC1CC1COCc2cscn2 34a_100000744939_100000205941 [0,0,0,1,0,0|3,0,0]=4 6203 B13R2.196 CC1CC1COCc2cscn2 7a_100000744939_100000205941 [0,0,0,1,0,0|3,0,0]=4 6204 B13R2.196 CC1CC1COCc2ncc[nH]2 34a_100000744939_100016991755 [0,0,0,1,0,0|3,0,0]=4 6205 B13R2.196 CC1CC1COCc2ncc[nH]2 7a_100000744939_100000753453 [0,0,0,1,0,0|3,0,0]=4 6206 B13R2.196 CC1CC1COCc2ncco2 34a_100000744939_103436540062 [0,0,0,1,0,0|2,0,0]=3 6207 B13R2.196 CC1CC1COCc2ncco2 7a_100000744939_103436540062 [0,0,0,1,0,0|2,0,0]=3 6208 B13R2.196 CC1CC1COCc2nccs2 34a_100000744939_100015184050 [0,0,0,1,0,0|2,1,0]=4 6209 B13R2.196 CC1CC1COCc2nccs2 7a_100000744939_100015184050 [0,0,0,1,0,0|2,1,0]=4 6210 B13R2.196 F[C@@H]1C[C@H]1NCCc2cccs2 2230a_100025746932_100000748579 [0,0,0,1,0,0|2,1,0]=4 6211 B13R2.196 F[C@@H]1C[C@H]1NCCc2cccs2 34a_100025746932_100000748579 [0,0,0,1,0,0|2,1,0]=4 6212 B13R2.196 F[C@H]1C[C@H]1NCCc2cccs2 2230a_100015190264_100000748579 [0,0,0,1,0,0|2,1,0]=4 6213 B13R2.292 CCNC1CCCc2c1cco2 269862a_100015525214_100000744050 [0,0,0,1,0,0|1,0,0]=2 6214 B13R2.292 CCNC1CCCc2c1ccs2 269862a_100015525214_100000024123 [0,0,0,1,0,0|1,1,0]=3 6215 B13R2.292 CCNC1CCCc2c1occ2 269862a_100015525214_100009877200 [0,0,0,1,0,0|3,0,0]=4 6216 B13R2.292 CCNC1CCCn2c1ccn2 269862a_100015525214_100009866777 [0,0,0,1,0,0|3,0,0]=4 6217 B13R2.292 CNCC1OCCc2c1ccs2 2230a_100025773454_200000210301 [0,0,0,1,0,0|2,1,0]=4 6218 B13R2.292 CNCC1OCCc2c1ccs2 34a_100025773454_200000210301 [0,0,0,1,0,0|2,1,0]=4 6219 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 2230a_100025773454_200025704644 [0,0,0,1,0,0|2,1,0]=4 6220 B13R2.292 [13CH3]NCC1OCCc2c1ccs2 34a_100025773454_200025704644 [0,0,0,1,0,0|2,1,0]=4 6221 B13R2.468 CCCNC1CCc2c1ccs2 269862a_100020643023_100000011361 [0,0,0,1,0,0|1,1,0]=3 6222 B13R2.468 CCCNC1CCc2c1scc2 269862a_100020643023_100000080523 [0,0,0,1,0,0|3,0,0]=4 6223 B13R2.468 FCCNC1CCc2c1ccs2 269862a_100000724931_100000011361 [0,0,0,1,0,0|2,1,0]=4 6224 B13R2.468 OCCNC1CCc2c1ccs2 269862a_100000210304_100000011361 [0,0,0,1,0,0|2,1,0]=4 6225 B13R2.677 C1=C(CCCCC1)c2ccco2 271570a_200009888920_100009814098 [0,0,0,1,0,0|0,0,2]=3 6226 B13R2.677 C1=C(CCCCC1)c2cccs2 271570a_200009888920_100011215356 [0,0,0,1,0,0|0,1,2]=4 6227 B13R2.677 C1=C(CCCCC1)c2cnco2 271570a_200009888920_100020591547 [0,0,0,1,0,0|1,0,2]=4 6228 B13R2.677 C1=C(CCCCC1)c2ncco2 271570a_200009888920_100011787736 [0,0,0,1,0,0|1,0,2]=4 6229 B13R2.677 C1=CCN(C1)C2CCCCCC2 269982a_100015195280_100011217769 [0,0,0,1,0,0|2,0,1]=4 6230 B13R2.2380 C(#CC1CC1)CSc2ccco2 62a_100009814098_100009895102 [0,0,0,1,0,0|1,0,2]=4 6231 B13R2.2380 C(#CC1CC1)CSc2ccco2 62a_100009895102_100009814098 [0,0,0,1,0,0|1,0,2]=4 6232 B13R2.2380 C(=NNCC1CC1)c2ccco2 4a_100000736359_100000186105 [0,0,0,1,0,0|2,0,1]=4 6233 B13R2.2380 c1c[nH]c(n1)CCOCC2CC2 34a_103549771195_100000742324 [0,0,0,1,0,0|3,0,0]=4 6234 B13R2.2380 c1c[nH]c(n1)CNCCC2CC2 207a_100000764129_100000743867 [0,0,0,1,0,0|3,0,0]=4 6235 B13R2.2380 c1c[nH]c(n1)CNCCC2CC2 34a_100000764129_100016991755 [0,0,0,1,0,0|3,0,0]=4 6236 B13R2.2380 c1c[nH]c(n1)COCCC2CC2 34a_100000754188_100016991755 [0,0,0,1,0,0|3,0,0]=4 6237 B13R2.2380 c1c[nH]c(n1)COCCC2CC2 7a_100000754188_100000753453 [0,0,0,1,0,0|3,0,0]=4 6238 B13R2.2380 c1c[nH]c(n1)CSCCC2CC2 62a_100000764125_100016991755 [0,0,0,1,0,0|3,0,0]=4 6239 B13R2.2380 c1c[nH]c(n1)CSCCC2CC2 62a_100016991755_100000764125 [0,0,0,1,0,0|3,0,0]=4 6240 B13R2.2380 c1cc([nH]n1)CNCCC2CC2 34a_100000764129_100000728653 [0,0,0,1,0,0|3,0,0]=4 6241 B13R2.2380 c1cc([nH]n1)COCCC2CC2 34a_100000754188_100000728653 [0,0,0,1,0,0|3,0,0]=4 6242 B13R2.2380 c1cc([nH]n1)COCCC2CC2 7a_100000754188_100000728653 [0,0,0,1,0,0|3,0,0]=4 6243 B13R2.2380 c1cc([nH]n1)CSCCC2CC2 62a_100000728653_100000764125 [0,0,0,1,0,0|3,0,0]=4 6244 B13R2.2380 c1cc([nH]n1)CSCCC2CC2 62a_100000764125_100000728653 [0,0,0,1,0,0|3,0,0]=4 6245 B13R2.2380 c1cc(co1)CNCCC2CC2 207a_100000764129_100011215517 [0,0,0,1,0,0|3,0,0]=4 6246 B13R2.2380 c1cc(co1)CNCCC2CC2 2230a_100015206860_100000694398 [0,0,0,1,0,0|3,0,0]=4 6247 B13R2.2380 c1cc(co1)CNCCC2CC2 270004a_100000764129_100011215517 [0,0,0,1,0,0|3,0,0]=4 6248 B13R2.2380 c1cc(co1)CNCCC2CC2 34a_100015206860_100000694398 [0,0,0,1,0,0|3,0,0]=4 6249 B13R2.2380 c1cc(co1)COCCC2CC2 34a_100011215357_100000694398 [0,0,0,1,0,0|3,0,0]=4 6250 B13R2.2380 c1cc(cs1)CCCOC2CC2 34a_200000699776_100000211595 [0,0,0,1,0,0|3,0,0]=4 6251 B13R2.2380 c1cc(cs1)CCNCC2CC2 2230a_100000692642_100000742324 [0,0,0,1,0,0|3,0,0]=4 6252 B13R2.2380 c1cc(cs1)CCNCC2CC2 269862a_100000692642_100000741477 [0,0,0,1,0,0|3,0,0]=4 6253 B13R2.2380 c1cc(cs1)CCNCC2CC2 34a_100000692642_100000742324 [0,0,0,1,0,0|3,0,0]=4 6254 B13R2.2380 c1cc(cs1)CCOCC2CC2 34a_100000748821_100000742324 [0,0,0,1,0,0|3,0,0]=4 6255 B13R2.2380 c1cc(cs1)CNCCC2CC2 207a_100000764129_100000188534 [0,0,0,1,0,0|3,0,0]=4 6256 B13R2.2380 c1cc(cs1)CNCCC2CC2 2230a_100000186416_100000694398 [0,0,0,1,0,0|3,0,0]=4 6257 B13R2.2380 c1cc(cs1)CNCCC2CC2 270004a_100000764129_100000188534 [0,0,0,1,0,0|3,0,0]=4 6258 B13R2.2380 c1cc(cs1)CNCCC2CC2 34a_100000186416_100000694398 [0,0,0,1,0,0|3,0,0]=4 6259 B13R2.2380 c1cc(cs1)CNCCC2CC2 34a_100000764129_100011261437 [0,0,0,1,0,0|3,0,0]=4 6260 B13R2.2380 c1cc(cs1)COCCC2CC2 34a_100000754188_100011261437 [0,0,0,1,0,0|3,0,0]=4 6261 B13R2.2380 c1cc(cs1)COCCC2CC2 34a_100011215551_100000694398 [0,0,0,1,0,0|3,0,0]=4 6262 B13R2.2380 c1cc(cs1)COCCC2CC2 7a_100000754188_100011261437 [0,0,0,1,0,0|3,0,0]=4 6263 B13R2.2380 c1cc(cs1)CSCCC2CC2 62a_100000764125_100011233845 [0,0,0,1,0,0|3,0,0]=4 6264 B13R2.2380 c1cc(cs1)CSCCC2CC2 62a_100011261437_100000764125 [0,0,0,1,0,0|3,0,0]=4 6265 B13R2.2380 c1cc(n[nH]1)CNCCC2CC2 207a_100000764129_100000738523 [0,0,0,1,0,0|3,0,0]=4 6266 B13R2.2380 c1cc(n[nH]1)CNCCC2CC2 270004a_100000764129_100000738523 [0,0,0,1,0,0|3,0,0]=4 6267 B13R2.2380 c1cc(no1)CNCCC2CC2 34a_100000764129_100000234950 [0,0,0,1,0,0|3,0,0]=4 6268 B13R2.2380 c1cc(no1)COCCC2CC2 34a_100000754188_100000234950 [0,0,0,1,0,0|3,0,0]=4 6269 B13R2.2380 c1cc(no1)COCCC2CC2 7a_100000754188_100000234950 [0,0,0,1,0,0|3,0,0]=4 6270 B13R2.2380 c1cc(no1)CSCCC2CC2 62a_100000234950_100000764125 [0,0,0,1,0,0|3,0,0]=4 6271 B13R2.2380 c1cc(no1)CSCCC2CC2 62a_100000764125_100000234950 [0,0,0,1,0,0|3,0,0]=4 6272 B13R2.2380 c1cc(on1)COCCC2CC2 34a_100000740478_100000694398 [0,0,0,1,0,0|2,0,0]=3 6273 B13R2.2380 c1cc(on1)COCCC2CO2 34a_100000740478_100000732470 [0,0,0,1,0,0|3,0,0]=4 6274 B13R2.2380 c1ccn(c1)CCCNC2CC2 34a_100000212008_200009814367 [0,0,0,1,0,0|3,0,0]=4 6275 B13R2.2380 c1ccn(c1)CCCOC2CC2 34a_100000179399_100000211595 [0,0,0,1,0,0|3,0,0]=4 6276 B13R2.2380 c1ccn(c1)CCCSC2CC2 62a_200009814367_100000211595 [0,0,0,1,0,0|3,0,0]=4 6277 B13R2.2380 c1ccn(c1)CCNCC2CC2 2230a_100000735609_200009811947 [0,0,0,1,0,0|3,0,0]=4 6278 B13R2.2380 c1ccn(c1)CCNCC2CC2 269862a_100011368172_100000741477 [0,0,0,1,0,0|3,0,0]=4 6279 B13R2.2380 c1ccn(c1)CCNCC2CC2 34a_100011368172_100000742324 [0,0,0,1,0,0|3,0,0]=4 6280 B13R2.2380 c1ccn(c1)CCOCC2CC2 34a_100000179382_100000742324 [0,0,0,1,0,0|3,0,0]=4 6281 B13R2.2380 c1ccn(c1)CCSCC2CC2 62a_100000756562_200000035178 [0,0,0,1,0,0|3,0,0]=4 6282 B13R2.2380 c1ccn(c1)CCSCC2CC2 62a_200009811947_100000742324 [0,0,0,1,0,0|3,0,0]=4 6283 B13R2.2380 c1cnn(c1)CCCOC2CC2 34a_100000753614_100000211595 [0,0,0,1,0,0|3,0,0]=4 6284 B13R2.2380 c1cnn(c1)CCCSC2CC2 62a_100000739983_100000211595 [0,0,0,1,0,0|3,0,0]=4 6285 B13R2.2380 c1cnn(c1)CCNCC2CC2 2230a_100000735609_100000685285 [0,0,0,1,0,0|3,0,0]=4 6286 B13R2.2380 c1cnn(c1)CCNCC2CC2 2230a_100011200920_100000742324 [0,0,0,1,0,0|3,0,0]=4 6287 B13R2.2380 c1cnn(c1)CCNCC2CC2 269862a_100011200920_100000741477 [0,0,0,1,0,0|3,0,0]=4 6288 B13R2.2380 c1cnn(c1)CCNCC2CC2 34a_100000735609_100015204718 [0,0,0,1,0,0|3,0,0]=4 6289 B13R2.2380 c1cnn(c1)CCOCC2CC2 34a_100000211283_100015204718 [0,0,0,1,0,0|3,0,0]=4 6290 B13R2.2380 c1cnn(c1)CCOCC2CC2 34a_100000743371_100000742324 [0,0,0,1,0,0|3,0,0]=4 6291 B13R2.2380 c1cnn(c1)CCSCC2CC2 62a_100000756562_100000685285 [0,0,0,1,0,0|3,0,0]=4 6292 B13R2.2380 c1cnn(c1)CCSCC2CC2 62a_100015204718_100000742324 [0,0,0,1,0,0|3,0,0]=4 6293 B13R2.2380 c1cnn(c1)COCCC2CC2 34a_100000731028_100000694398 [0,0,0,1,0,0|3,0,0]=4 6294 B13R2.2380 c1coc(c1)CCNCC2CC2 2230a_100000694680_100000742324 [0,0,0,1,0,0|1,0,0]=2 6295 B13R2.2380 c1coc(c1)CCNCC2CC2 269862a_100000694680_100000741477 [0,0,0,1,0,0|1,0,0]=2 6296 B13R2.2380 c1coc(c1)CCNCC2CC2 34a_100000694680_100000742324 [0,0,0,1,0,0|1,0,0]=2 6297 B13R2.2380 c1coc(c1)CCNCC2CO2 2230a_100000694680_100011216344 [0,0,0,1,0,0|2,0,0]=3 6298 B13R2.2380 c1coc(c1)CCNCC2CO2 34a_100000694680_102125554688 [0,0,0,1,0,0|2,0,0]=3 6299 B13R2.2380 c1coc(c1)CNCCC2CC2 207a_100000764129_100000186105 [0,0,0,1,0,0|1,0,0]=2 6300 B13R2.2380 c1coc(c1)CNCCC2CC2 2230a_100000185738_100000694398 [0,0,0,1,0,0|1,0,0]=2 6301 B13R2.2380 c1coc(c1)CNCCC2CC2 270004a_100000764129_100000186105 [0,0,0,1,0,0|1,0,0]=2 6302 B13R2.2380 c1coc(c1)CNCCC2CC2 34a_100000185738_100000694398 [0,0,0,1,0,0|1,0,0]=2 6303 B13R2.2380 c1coc(c1)CNCCC2CO2 2230a_100000185738_100000732470 [0,0,0,1,0,0|2,0,0]=3 6304 B13R2.2380 c1coc(c1)CNCCC2CO2 34a_100000185738_100000732470 [0,0,0,1,0,0|2,0,0]=3 6305 B13R2.2380 c1coc(c1)COCCC2CC2 34a_100000210059_100000694398 [0,0,0,1,0,0|1,0,0]=2 6306 B13R2.2380 c1coc(c1)COCCC2CO2 34a_100000210059_100000732470 [0,0,0,1,0,0|2,0,0]=3 6307 B13R2.2380 c1coc(c1)SCCCC2CO2 62a_100000733510_100009814098 [0,0,0,1,0,0|2,0,0]=3 6308 B13R2.2380 c1coc(c1)SCCCC2CO2 62a_100009814098_100000733510 [0,0,0,1,0,0|2,0,0]=3 6309 B13R2.2380 c1coc(n1)CNCCC2CC2 2230a_100016994969_100000694398 [0,0,0,1,0,0|2,0,0]=3 6310 B13R2.2380 c1coc(n1)CNCCC2CC2 270004a_100000764129_100000064290 [0,0,0,1,0,0|2,0,0]=3 6311 B13R2.2380 c1coc(n1)CNCCC2CC2 34a_100000764129_103436540062 [0,0,0,1,0,0|2,0,0]=3 6312 B13R2.2380 c1coc(n1)CNCCC2CO2 2230a_100016994969_100000732470 [0,0,0,1,0,0|3,0,0]=4 6313 B13R2.2380 c1coc(n1)COCCC2CC2 34a_100000062594_100000694398 [0,0,0,1,0,0|2,0,0]=3 6314 B13R2.2380 c1coc(n1)COCCC2CC2 34a_100000754188_103436540062 [0,0,0,1,0,0|2,0,0]=3 6315 B13R2.2380 c1coc(n1)COCCC2CC2 7a_100000754188_103436540062 [0,0,0,1,0,0|2,0,0]=3 6316 B13R2.2380 c1coc(n1)COCCC2CO2 34a_100000062594_100000732470 [0,0,0,1,0,0|3,0,0]=4 6317 B13R2.2380 c1coc(n1)COCC[C@@H]2CO2 34a_100009820653_103436540062 [0,0,0,1,0,0|3,0,0]=4 6318 B13R2.2380 c1coc(n1)CSCCC2CC2 62a_100000764125_103436540062 [0,0,0,1,0,0|2,0,0]=3 6319 B13R2.2380 c1coc(n1)CSCCC2CC2 62a_103436540062_100000764125 [0,0,0,1,0,0|2,0,0]=3 6320 B13R2.2380 c1coc(n1)CSCCC2CO2 62a_100000732470_103436540062 [0,0,0,1,0,0|3,0,0]=4 6321 B13R2.2380 c1coc(n1)CSCCC2CO2 62a_103436540062_100000732470 [0,0,0,1,0,0|3,0,0]=4 6322 B13R2.2380 c1coc(n1)SCCCC2CO2 62a_100000733510_100011787736 [0,0,0,1,0,0|3,0,0]=4 6323 B13R2.2380 c1coc(n1)SCCCC2CO2 62a_100011787736_100000733510 [0,0,0,1,0,0|3,0,0]=4 6324 B13R2.2380 c1csc(c1)CCCNC2CC2 34a_100000212008_100010992444 [0,0,0,1,0,0|1,1,0]=3 6325 B13R2.2380 c1csc(c1)CCCOC2CC2 34a_100011713143_100000211595 [0,0,0,1,0,0|1,1,0]=3 6326 B13R2.2380 c1csc(c1)CCCSC2CC2 62a_100010992444_100000211595 [0,0,0,1,0,0|1,1,0]=3 6327 B13R2.2380 c1csc(c1)CCNCC2CC2 2230a_100000203755_100000742324 [0,0,0,1,0,0|1,1,0]=3 6328 B13R2.2380 c1csc(c1)CCNCC2CC2 2230a_100000735609_100000748579 [0,0,0,1,0,0|1,1,0]=3 6329 B13R2.2380 c1csc(c1)CCNCC2CC2 269862a_100000203755_100000741477 [0,0,0,1,0,0|1,1,0]=3 6330 B13R2.2380 c1csc(c1)CCNCC2CC2 34a_100000203755_100000742324 [0,0,0,1,0,0|1,1,0]=3 6331 B13R2.2380 c1csc(c1)CCNCC2CC2 34a_100000735609_100000748579 [0,0,0,1,0,0|1,1,0]=3 6332 B13R2.2380 c1csc(c1)CCNCC2CO2 2230a_100000203755_100011216344 [0,0,0,1,0,0|2,1,0]=4 6333 B13R2.2380 c1csc(c1)CCNCC2CO2 34a_100000203755_102125554688 [0,0,0,1,0,0|2,1,0]=4 6334 B13R2.2380 c1csc(c1)CCOCC2CC2 34a_100000211283_100000748579 [0,0,0,1,0,0|1,1,0]=3 6335 B13R2.2380 c1csc(c1)CCOCC2CC2 34a_100011216825_100000742324 [0,0,0,1,0,0|1,1,0]=3 6336 B13R2.2380 c1csc(c1)CCOCC2CC2 7a_100011216825_100000742324 [0,0,0,1,0,0|1,1,0]=3 6337 B13R2.2380 c1csc(c1)CCOCC2CO2 34a_100011216825_102125554688 [0,0,0,1,0,0|2,1,0]=4 6338 B13R2.2380 c1csc(c1)CCOCC2CO2 7a_100011216825_102125554688 [0,0,0,1,0,0|2,1,0]=4 6339 B13R2.2380 c1csc(c1)CCOCC2CS2 7a_100011216825_100000031435 [0,0,0,1,0,0|2,1,0]=4 6340 B13R2.2380 c1csc(c1)CCOC[C@@H]2CO2 34a_100000757423_100000748579 [0,0,0,1,0,0|2,1,0]=4 6341 B13R2.2380 c1csc(c1)CCOC[C@@H]2CO2 7a_100011216825_100000745022 [0,0,0,1,0,0|2,1,0]=4 6342 B13R2.2380 c1csc(c1)CCSCC2CC2 62a_100000748579_100000742324 [0,0,0,1,0,0|1,1,0]=3 6343 B13R2.2380 c1csc(c1)CCSCC2CC2 62a_100000756562_100000748579 [0,0,0,1,0,0|1,1,0]=3 6344 B13R2.2380 c1csc(c1)CCSCC2CO2 62a_100000748579_102125554688 [0,0,0,1,0,0|2,1,0]=4 6345 B13R2.2380 c1csc(c1)CCSCC2CO2 62a_102125554688_100000748579 [0,0,0,1,0,0|2,1,0]=4 6346 B13R2.2380 c1csc(c1)CCSCC2CS2 62a_100000031435_100000748579 [0,0,0,1,0,0|2,1,0]=4 6347 B13R2.2380 c1csc(c1)CCSCC2CS2 62a_100000748579_100000031435 [0,0,0,1,0,0|2,1,0]=4 6348 B13R2.2380 c1csc(c1)CCSC[C@@H]2CO2 62a_100000745022_100000748579 [0,0,0,1,0,0|2,1,0]=4 6349 B13R2.2380 c1csc(c1)CCSC[C@@H]2CO2 62a_100000748579_100000745022 [0,0,0,1,0,0|2,1,0]=4 6350 B13R2.2380 c1csc(c1)CNCCC2CC2 207a_100000764129_100000209959 [0,0,0,1,0,0|1,1,0]=3 6351 B13R2.2380 c1csc(c1)CNCCC2CC2 2230a_100000211653_100000694398 [0,0,0,1,0,0|1,1,0]=3 6352 B13R2.2380 c1csc(c1)CNCCC2CC2 270004a_100000764129_100000209959 [0,0,0,1,0,0|1,1,0]=3 6353 B13R2.2380 c1csc(c1)CNCCC2CO2 2230a_100000211653_100000732470 [0,0,0,1,0,0|2,1,0]=4 6354 B13R2.2380 c1csc(c1)COCCC2CC2 34a_100000211240_100000694398 [0,0,0,1,0,0|1,1,0]=3 6355 B13R2.2380 c1csc(c1)COCCC2CO2 34a_100000211240_100000732470 [0,0,0,1,0,0|2,1,0]=4 6356 B13R2.2380 c1csc(c1)SCCCC2CO2 62a_100000733510_100011215356 [0,0,0,1,0,0|2,1,0]=4 6357 B13R2.2380 c1csc(c1)SCCCC2CO2 62a_100011215356_100000733510 [0,0,0,1,0,0|2,1,0]=4 6358 B13R2.2380 c1csc(n1)CCNCC2CC2 2230a_100015186391_100000742324 [0,0,0,1,0,0|2,1,0]=4 6359 B13R2.2380 c1csc(n1)CCNCC2CC2 269862a_100015186391_100000741477 [0,0,0,1,0,0|2,1,0]=4 6360 B13R2.2380 c1csc(n1)CNCCC2CC2 207a_100000764129_100000750902 [0,0,0,1,0,0|2,1,0]=4 6361 B13R2.2380 c1csc(n1)CNCCC2CC2 2230a_100000740555_100000694398 [0,0,0,1,0,0|2,1,0]=4 6362 B13R2.2380 c1csc(n1)CNCCC2CC2 270004a_100000764129_100000750902 [0,0,0,1,0,0|2,1,0]=4 6363 B13R2.2380 c1csc(n1)CNCCC2CC2 34a_100000764129_100015184050 [0,0,0,1,0,0|2,1,0]=4 6364 B13R2.2380 c1csc(n1)COCCC2CC2 34a_100000754188_100015184050 [0,0,0,1,0,0|2,1,0]=4 6365 B13R2.2380 c1csc(n1)COCCC2CC2 7a_100000754188_100015184050 [0,0,0,1,0,0|2,1,0]=4 6366 B13R2.2380 c1csc(n1)CSCCC2CC2 62a_100000764125_100015184050 [0,0,0,1,0,0|2,1,0]=4 6367 B13R2.2380 c1csc(n1)CSCCC2CC2 62a_100015184050_100000764125 [0,0,0,1,0,0|2,1,0]=4 6368 B13R2.2380 c1nc(c[nH]1)CCNCC2CC2 2230a_100000735609_100020628418 [0,0,0,1,0,0|3,0,0]=4 6369 B13R2.2380 c1nc(c[nH]1)CCSCC2CC2 62a_100000756562_100020628418 [0,0,0,1,0,0|3,0,0]=4 6370 B13R2.2380 c1nc(c[nH]1)CCSCC2CC2 62a_100020628418_100000742324 [0,0,0,1,0,0|3,0,0]=4 6371 B13R2.2380 c1nc(c[nH]1)CNCCC2CC2 34a_100000764129_100000707719 [0,0,0,1,0,0|3,0,0]=4 6372 B13R2.2380 c1nc(c[nH]1)COCCC2CC2 34a_100000754188_100000707719 [0,0,0,1,0,0|3,0,0]=4 6373 B13R2.2380 c1nc(c[nH]1)CSCCC2CC2 62a_100000707719_100000764125 [0,0,0,1,0,0|3,0,0]=4 6374 B13R2.2380 c1nc(c[nH]1)CSCCC2CC2 62a_100000764125_100000707719 [0,0,0,1,0,0|3,0,0]=4 6375 B13R2.2380 c1nc(co1)CNCCC2CC2 270004a_100000764129_100000050382 [0,0,0,1,0,0|3,0,0]=4 6376 B13R2.2380 c1nc(cs1)CNCCC2CC2 207a_100000764129_100000743575 [0,0,0,1,0,0|3,0,0]=4 6377 B13R2.2380 c1nc(cs1)CNCCC2CC2 2230a_100015185402_100000694398 [0,0,0,1,0,0|3,0,0]=4 6378 B13R2.2380 c1nc(cs1)CNCCC2CC2 270004a_100000764129_100000743575 [0,0,0,1,0,0|3,0,0]=4 6379 B13R2.2380 c1nc(cs1)CNCCC2CC2 34a_100000764129_100000205941 [0,0,0,1,0,0|3,0,0]=4 6380 B13R2.2380 c1nc(cs1)COCCC2CC2 34a_100000754188_100000205941 [0,0,0,1,0,0|3,0,0]=4 6381 B13R2.2380 c1nc(cs1)COCCC2CC2 7a_100000754188_100000205941 [0,0,0,1,0,0|3,0,0]=4 6382 B13R2.2380 c1nc(cs1)CSCCC2CC2 62a_100000205941_100000764125 [0,0,0,1,0,0|3,0,0]=4 6383 B13R2.2380 c1nc(cs1)CSCCC2CC2 62a_100000764125_100000205941 [0,0,0,1,0,0|3,0,0]=4 6384 B13R2.2380 c1ncc([nH]1)CNCCC2CC2 207a_100000764129_100000742939 [0,0,0,1,0,0|3,0,0]=4 6385 B13R2.2380 c1ncc(o1)CNCCC2CC2 270004a_100000764129_100000064291 [0,0,0,1,0,0|2,0,0]=3 6386 B13R2.2380 c1ncc(o1)SCCCC2CO2 62a_100000733510_100020591547 [0,0,0,1,0,0|3,0,0]=4 6387 B13R2.2380 c1ncc(o1)SCCCC2CO2 62a_100020591547_100000733510 [0,0,0,1,0,0|3,0,0]=4 6388 B13R2.2380 c1ncc(s1)CCNCC2CC2 2230a_100016991637_100000742324 [0,0,0,1,0,0|2,1,0]=4 6389 B13R2.2380 c1ncc(s1)CCNCC2CC2 269862a_100016991637_100000741477 [0,0,0,1,0,0|2,1,0]=4 6390 B13R2.2380 c1ncc(s1)CNCCC2CC2 207a_100000764129_100000749870 [0,0,0,1,0,0|2,1,0]=4 6391 B13R2.2380 c1ncc(s1)CNCCC2CC2 2230a_100016987365_100000694398 [0,0,0,1,0,0|2,1,0]=4 6392 B13R2.2380 c1ncc(s1)CNCCC2CC2 270004a_100000764129_100000749870 [0,0,0,1,0,0|2,1,0]=4 6393 B13R2.2380 c1ncc(s1)CNCCC2CC2 34a_100000764129_100015185245 [0,0,0,1,0,0|2,1,0]=4 6394 B13R2.2380 c1ncc(s1)COCCC2CC2 34a_100000754188_100015185245 [0,0,0,1,0,0|2,1,0]=4 6395 B13R2.2380 c1ncc(s1)COCCC2CC2 7a_100000754188_100015185245 [0,0,0,1,0,0|2,1,0]=4 6396 B13R2.2380 c1ncc(s1)CSCCC2CC2 62a_100000764125_100015185245 [0,0,0,1,0,0|2,1,0]=4 6397 B13R2.2380 c1ncc(s1)CSCCC2CC2 62a_100015185245_100000764125 [0,0,0,1,0,0|2,1,0]=4 6398 B13R2.2381 C(=NNC1CCC1)c2ccco2 4a_100000736358_100000186105 [0,0,0,1,0,0|2,0,1]=4 6399 B13R2.2381 c1c[nH]c(n1)CCNC2CCC2 270004a_100000754300_100000241760 [0,0,0,1,0,0|3,0,0]=4 6400 B13R2.2381 c1c[nH]c(n1)CCOC2CCC2 34a_103549771195_100000749161 [0,0,0,1,0,0|3,0,0]=4 6401 B13R2.2381 c1c[nH]c(n1)CNCC2CCC2 207a_100000738700_100000743867 [0,0,0,1,0,0|3,0,0]=4 6402 B13R2.2381 c1c[nH]c(n1)CNCC2CCC2 2230a_100000738700_100016991755 [0,0,0,1,0,0|3,0,0]=4 6403 B13R2.2381 c1c[nH]c(n1)CNCC2CCC2 34a_100000738700_100016991755 [0,0,0,1,0,0|3,0,0]=4 6404 B13R2.2381 c1c[nH]c(n1)COCC2CCC2 34a_100000760304_100016991755 [0,0,0,1,0,0|3,0,0]=4 6405 B13R2.2381 c1c[nH]c(n1)CSCC2CCC2 62a_100000763275_100016991755 [0,0,0,1,0,0|3,0,0]=4 6406 B13R2.2381 c1c[nH]c(n1)CSCC2CCC2 62a_100016991755_100000763275 [0,0,0,1,0,0|3,0,0]=4 6407 B13R2.2381 c1cc([nH]n1)CNCC2CCC2 2230a_100000738700_100000728653 [0,0,0,1,0,0|3,0,0]=4 6408 B13R2.2381 c1cc([nH]n1)CNCC2CCC2 34a_100000738700_100000728653 [0,0,0,1,0,0|3,0,0]=4 6409 B13R2.2381 c1cc([nH]n1)COCC2CCC2 34a_100000760304_100000728653 [0,0,0,1,0,0|3,0,0]=4 6410 B13R2.2381 c1cc([nH]n1)CSCC2CCC2 62a_100000728653_100000763275 [0,0,0,1,0,0|3,0,0]=4 6411 B13R2.2381 c1cc([nH]n1)CSCC2CCC2 62a_100000763275_100000728653 [0,0,0,1,0,0|3,0,0]=4 6412 B13R2.2381 c1cc(co1)CNCC2CCC2 207a_100000738700_100011215517 [0,0,0,1,0,0|3,0,0]=4 6413 B13R2.2381 c1cc(co1)CNCC2CCC2 2230a_100015206860_100000763275 [0,0,0,1,0,0|3,0,0]=4 6414 B13R2.2381 c1cc(co1)CNCC2CCC2 269862a_100015206860_100000753134 [0,0,0,1,0,0|3,0,0]=4 6415 B13R2.2381 c1cc(co1)CNCC2CCC2 270004a_100000738700_100011215517 [0,0,0,1,0,0|3,0,0]=4 6416 B13R2.2381 c1cc(co1)CNCC2CCC2 34a_100015206860_100000763275 [0,0,0,1,0,0|3,0,0]=4 6417 B13R2.2381 c1cc(co1)COCC2CCC2 34a_100011215357_100000763275 [0,0,0,1,0,0|3,0,0]=4 6418 B13R2.2381 c1cc(cs1)CCNC2CCC2 270004a_100000692642_100000241760 [0,0,0,1,0,0|3,0,0]=4 6419 B13R2.2381 c1cc(cs1)CCNC2CCC2 34a_100000692642_100000749161 [0,0,0,1,0,0|3,0,0]=4 6420 B13R2.2381 c1cc(cs1)CCOC2CCC2 34a_100000748821_100000749161 [0,0,0,1,0,0|3,0,0]=4 6421 B13R2.2381 c1cc(cs1)CNCC2CCC2 207a_100000738700_100000188534 [0,0,0,1,0,0|3,0,0]=4 6422 B13R2.2381 c1cc(cs1)CNCC2CCC2 2230a_100000186416_100000763275 [0,0,0,1,0,0|3,0,0]=4 6423 B13R2.2381 c1cc(cs1)CNCC2CCC2 2230a_100000738700_100011261437 [0,0,0,1,0,0|3,0,0]=4 6424 B13R2.2381 c1cc(cs1)CNCC2CCC2 269862a_100000186416_100000753134 [0,0,0,1,0,0|3,0,0]=4 6425 B13R2.2381 c1cc(cs1)CNCC2CCC2 270004a_100000738700_100000188534 [0,0,0,1,0,0|3,0,0]=4 6426 B13R2.2381 c1cc(cs1)CNCC2CCC2 34a_100000186416_100000763275 [0,0,0,1,0,0|3,0,0]=4 6427 B13R2.2381 c1cc(cs1)CNCC2CCC2 34a_100000738700_100011261437 [0,0,0,1,0,0|3,0,0]=4 6428 B13R2.2381 c1cc(cs1)COCC2CCC2 34a_100000760304_100011261437 [0,0,0,1,0,0|3,0,0]=4 6429 B13R2.2381 c1cc(cs1)COCC2CCC2 34a_100011215551_100000763275 [0,0,0,1,0,0|3,0,0]=4 6430 B13R2.2381 c1cc(cs1)CSCC2CCC2 62a_100000763275_100011233845 [0,0,0,1,0,0|3,0,0]=4 6431 B13R2.2381 c1cc(cs1)CSCC2CCC2 62a_100011261437_100000763275 [0,0,0,1,0,0|3,0,0]=4 6432 B13R2.2381 c1cc(n[nH]1)CNCC2CCC2 207a_100000738700_100000738523 [0,0,0,1,0,0|3,0,0]=4 6433 B13R2.2381 c1cc(n[nH]1)CNCC2CCC2 269862a_100000739516_100000753134 [0,0,0,1,0,0|3,0,0]=4 6434 B13R2.2381 c1cc(n[nH]1)CNCC2CCC2 270004a_100000738700_100000738523 [0,0,0,1,0,0|3,0,0]=4 6435 B13R2.2381 c1cc(no1)CNCC2CCC2 2230a_100000738700_100000234950 [0,0,0,1,0,0|3,0,0]=4 6436 B13R2.2381 c1cc(no1)CNCC2CCC2 269862a_100000688301_100000753134 [0,0,0,1,0,0|3,0,0]=4 6437 B13R2.2381 c1cc(no1)CNCC2CCC2 34a_100000738700_100000234950 [0,0,0,1,0,0|3,0,0]=4 6438 B13R2.2381 c1cc(no1)COCC2CCC2 34a_100000760304_100000234950 [0,0,0,1,0,0|3,0,0]=4 6439 B13R2.2381 c1cc(no1)CSCC2CCC2 62a_100000234950_100000763275 [0,0,0,1,0,0|3,0,0]=4 6440 B13R2.2381 c1cc(no1)CSCC2CCC2 62a_100000763275_100000234950 [0,0,0,1,0,0|3,0,0]=4 6441 B13R2.2381 c1cc(on1)COCC2CCC2 34a_100000740478_100000763275 [0,0,0,1,0,0|2,0,0]=3 6442 B13R2.2381 c1cc(on1)COCC2CCO2 34a_100000740478_100000103362 [0,0,0,1,0,0|3,0,0]=4 6443 B13R2.2381 c1cc(on1)COCC2COC2 34a_100000740478_100010264016 [0,0,0,1,0,0|3,0,0]=4 6444 B13R2.2381 c1ccn(c1)CCCN2CCC2 269982a_100000754969_200009814367 [0,0,0,1,0,0|3,0,0]=4 6445 B13R2.2381 c1ccn(c1)CCNC2CCC2 2230a_100000749019_200009811947 [0,0,0,1,0,0|3,0,0]=4 6446 B13R2.2381 c1ccn(c1)CCNC2CCC2 270004a_100011368172_100000241760 [0,0,0,1,0,0|3,0,0]=4 6447 B13R2.2381 c1ccn(c1)CCNC2CCC2 34a_100011368172_100000749161 [0,0,0,1,0,0|3,0,0]=4 6448 B13R2.2381 c1ccn(c1)CCOC2CCC2 34a_100000179382_100000749161 [0,0,0,1,0,0|3,0,0]=4 6449 B13R2.2381 c1ccn(c1)CCSC2CCC2 62a_200009811947_100000749161 [0,0,0,1,0,0|3,0,0]=4 6450 B13R2.2381 c1cnn(c1)CCCN2CCC2 269982a_100000754969_100000739983 [0,0,0,1,0,0|3,0,0]=4 6451 B13R2.2381 c1cnn(c1)CCNC2CCC2 2230a_100000749019_100000685285 [0,0,0,1,0,0|3,0,0]=4 6452 B13R2.2381 c1cnn(c1)CCNC2CCC2 270004a_100011200920_100000241760 [0,0,0,1,0,0|3,0,0]=4 6453 B13R2.2381 c1cnn(c1)CCNC2CCC2 34a_100000749019_100015204718 [0,0,0,1,0,0|3,0,0]=4 6454 B13R2.2381 c1cnn(c1)CCOC2CCC2 34a_100000743371_100000749161 [0,0,0,1,0,0|3,0,0]=4 6455 B13R2.2381 c1cnn(c1)CCOC2CCC2 34a_100000748187_100015204718 [0,0,0,1,0,0|3,0,0]=4 6456 B13R2.2381 c1cnn(c1)CCSC2CCC2 62a_100015204718_100000749161 [0,0,0,1,0,0|3,0,0]=4 6457 B13R2.2381 c1cnn(c1)COCC2CCC2 34a_100000731028_100000763275 [0,0,0,1,0,0|3,0,0]=4 6458 B13R2.2381 c1coc(c1)CCNC2CCC2 270004a_100000694680_100000241760 [0,0,0,1,0,0|1,0,0]=2 6459 B13R2.2381 c1coc(c1)CCNC2CCC2 34a_100000694680_100000749161 [0,0,0,1,0,0|1,0,0]=2 6460 B13R2.2381 c1coc(c1)CCNC2COC2 34a_100000694680_100009818527 [0,0,0,1,0,0|2,0,0]=3 6461 B13R2.2381 c1coc(c1)CNCC2CCC2 207a_100000738700_100000186105 [0,0,0,1,0,0|1,0,0]=2 6462 B13R2.2381 c1coc(c1)CNCC2CCC2 2230a_100000185738_100000763275 [0,0,0,1,0,0|1,0,0]=2 6463 B13R2.2381 c1coc(c1)CNCC2CCC2 270004a_100000738700_100000186105 [0,0,0,1,0,0|1,0,0]=2 6464 B13R2.2381 c1coc(c1)CNCC2CCC2 34a_100000185738_100000763275 [0,0,0,1,0,0|1,0,0]=2 6465 B13R2.2381 c1coc(c1)CNCC2CCO2 2230a_100000185738_100000103362 [0,0,0,1,0,0|2,0,0]=3 6466 B13R2.2381 c1coc(c1)CNCC2CCO2 34a_100000185738_100000103362 [0,0,0,1,0,0|2,0,0]=3 6467 B13R2.2381 c1coc(c1)CNCC2COC2 207a_100015281925_100000186105 [0,0,0,1,0,0|2,0,0]=3 6468 B13R2.2381 c1coc(c1)CNCC2COC2 2230a_100000185738_100010264016 [0,0,0,1,0,0|2,0,0]=3 6469 B13R2.2381 c1coc(c1)CNCC2COC2 270004a_100015281925_100000186105 [0,0,0,1,0,0|2,0,0]=3 6470 B13R2.2381 c1coc(c1)CNCC2COC2 34a_100000185738_100010264016 [0,0,0,1,0,0|2,0,0]=3 6471 B13R2.2381 c1coc(c1)CNC[C@@H]2CCO2 207a_100020831831_100000186105 [0,0,0,1,0,0|2,0,0]=3 6472 B13R2.2381 c1coc(c1)CNC[C@@H]2CCO2 270004a_100020831831_100000186105 [0,0,0,1,0,0|2,0,0]=3 6473 B13R2.2381 c1coc(c1)COCC2CCC2 34a_100000210059_100000763275 [0,0,0,1,0,0|1,0,0]=2 6474 B13R2.2381 c1coc(c1)COCC2CCO2 34a_100000210059_100000103362 [0,0,0,1,0,0|2,0,0]=3 6475 B13R2.2381 c1coc(c1)COCC2COC2 34a_100000210059_100010264016 [0,0,0,1,0,0|2,0,0]=3 6476 B13R2.2381 c1coc(n1)CNCC2CCC2 2230a_100000738700_103436540062 [0,0,0,1,0,0|2,0,0]=3 6477 B13R2.2381 c1coc(n1)CNCC2CCC2 2230a_100016994969_100000763275 [0,0,0,1,0,0|2,0,0]=3 6478 B13R2.2381 c1coc(n1)CNCC2CCC2 270004a_100000738700_100000064290 [0,0,0,1,0,0|2,0,0]=3 6479 B13R2.2381 c1coc(n1)CNCC2CCC2 34a_100000738700_103436540062 [0,0,0,1,0,0|2,0,0]=3 6480 B13R2.2381 c1coc(n1)CNCC2CCO2 2230a_100016994969_100000103362 [0,0,0,1,0,0|3,0,0]=4 6481 B13R2.2381 c1coc(n1)CNCC2COC2 2230a_100015281925_103436540062 [0,0,0,1,0,0|3,0,0]=4 6482 B13R2.2381 c1coc(n1)CNCC2COC2 2230a_100016994969_100010264016 [0,0,0,1,0,0|3,0,0]=4 6483 B13R2.2381 c1coc(n1)CNCC2COC2 270004a_100015281925_100000064290 [0,0,0,1,0,0|3,0,0]=4 6484 B13R2.2381 c1coc(n1)CNCC2COC2 34a_100015281925_103436540062 [0,0,0,1,0,0|3,0,0]=4 6485 B13R2.2381 c1coc(n1)CNC[C@@H]2CCO2 2230a_100020831831_103436540062 [0,0,0,1,0,0|3,0,0]=4 6486 B13R2.2381 c1coc(n1)CNC[C@@H]2CCO2 270004a_100020831831_100000064290 [0,0,0,1,0,0|3,0,0]=4 6487 B13R2.2381 c1coc(n1)CNC[C@@H]2CCO2 34a_100020831831_103436540062 [0,0,0,1,0,0|3,0,0]=4 6488 B13R2.2381 c1coc(n1)COCC2CCC2 34a_100000062594_100000763275 [0,0,0,1,0,0|2,0,0]=3 6489 B13R2.2381 c1coc(n1)COCC2CCC2 34a_100000760304_103436540062 [0,0,0,1,0,0|2,0,0]=3 6490 B13R2.2381 c1coc(n1)COCC2CCO2 34a_100000039022_103436540062 [0,0,0,1,0,0|3,0,0]=4 6491 B13R2.2381 c1coc(n1)COCC2CCO2 34a_100000062594_100000103362 [0,0,0,1,0,0|3,0,0]=4 6492 B13R2.2381 c1coc(n1)COCC2CNC2 34a_100016987283_103436540062 [0,0,0,1,0,0|3,0,0]=4 6493 B13R2.2381 c1coc(n1)COCC2COC2 34a_100000060846_103436540062 [0,0,0,1,0,0|3,0,0]=4 6494 B13R2.2381 c1coc(n1)COCC2COC2 34a_100000062594_100010264016 [0,0,0,1,0,0|3,0,0]=4 6495 B13R2.2381 c1coc(n1)CSCC2CCC2 62a_100000763275_103436540062 [0,0,0,1,0,0|2,0,0]=3 6496 B13R2.2381 c1coc(n1)CSCC2CCC2 62a_103436540062_100000763275 [0,0,0,1,0,0|2,0,0]=3 6497 B13R2.2381 c1coc(n1)CSCC2CCO2 62a_100000103362_103436540062 [0,0,0,1,0,0|3,0,0]=4 6498 B13R2.2381 c1coc(n1)CSCC2CCO2 62a_103436540062_100000103362 [0,0,0,1,0,0|3,0,0]=4 6499 B13R2.2381 c1coc(n1)CSCC2COC2 62a_100010264016_103436540062 [0,0,0,1,0,0|3,0,0]=4 6500 B13R2.2381 c1coc(n1)CSCC2COC2 62a_103436540062_100010264016 [0,0,0,1,0,0|3,0,0]=4 6501 B13R2.2381 c1csc(c1)CCCN2CCC2 269982a_100000754969_100010992444 [0,0,0,1,0,0|1,1,0]=3 6502 B13R2.2381 c1csc(c1)CCNC2CCC2 2230a_100000749019_100000748579 [0,0,0,1,0,0|1,1,0]=3 6503 B13R2.2381 c1csc(c1)CCNC2CCC2 270004a_100000203755_100000241760 [0,0,0,1,0,0|1,1,0]=3 6504 B13R2.2381 c1csc(c1)CCNC2CCC2 34a_100000203755_100000749161 [0,0,0,1,0,0|1,1,0]=3 6505 B13R2.2381 c1csc(c1)CCNC2CCC2 34a_100000749019_100000748579 [0,0,0,1,0,0|1,1,0]=3 6506 B13R2.2381 c1csc(c1)CCNC2COC2 2230a_100016991112_100000748579 [0,0,0,1,0,0|2,1,0]=4 6507 B13R2.2381 c1csc(c1)CCNC2COC2 34a_100000203755_100009818527 [0,0,0,1,0,0|2,1,0]=4 6508 B13R2.2381 c1csc(c1)CCOC2CCC2 34a_100000748187_100000748579 [0,0,0,1,0,0|1,1,0]=3 6509 B13R2.2381 c1csc(c1)CCOC2CCC2 34a_100011216825_100000749161 [0,0,0,1,0,0|1,1,0]=3 6510 B13R2.2381 c1csc(c1)CCOC2COC2 34a_100011216825_100009818527 [0,0,0,1,0,0|2,1,0]=4 6511 B13R2.2381 c1csc(c1)CCOC2COC2 7a_100011216825_100009818527 [0,0,0,1,0,0|2,1,0]=4 6512 B13R2.2381 c1csc(c1)CCOC2CSC2 7a_100000072292_100000748579 [0,0,0,1,0,0|2,1,0]=4 6513 B13R2.2381 c1csc(c1)CCSC2CCC2 62a_100000748579_100000749161 [0,0,0,1,0,0|1,1,0]=3 6514 B13R2.2381 c1csc(c1)CCSC2COC2 62a_100000748579_100009818527 [0,0,0,1,0,0|2,1,0]=4 6515 B13R2.2381 c1csc(c1)CNCC2CCC2 207a_100000738700_100000209959 [0,0,0,1,0,0|1,1,0]=3 6516 B13R2.2381 c1csc(c1)CNCC2CCC2 2230a_100000211653_100000763275 [0,0,0,1,0,0|1,1,0]=3 6517 B13R2.2381 c1csc(c1)CNCC2CCC2 269862a_100000211653_100000753134 [0,0,0,1,0,0|1,1,0]=3 6518 B13R2.2381 c1csc(c1)CNCC2CCC2 270004a_100000738700_100000209959 [0,0,0,1,0,0|1,1,0]=3 6519 B13R2.2381 c1csc(c1)CNCC2CCO2 2230a_100000211653_100000103362 [0,0,0,1,0,0|2,1,0]=4 6520 B13R2.2381 c1csc(c1)CNCC2COC2 207a_100015281925_100000209959 [0,0,0,1,0,0|2,1,0]=4 6521 B13R2.2381 c1csc(c1)CNCC2COC2 2230a_100000211653_100010264016 [0,0,0,1,0,0|2,1,0]=4 6522 B13R2.2381 c1csc(c1)CNCC2COC2 270004a_100015281925_100000209959 [0,0,0,1,0,0|2,1,0]=4 6523 B13R2.2381 c1csc(c1)CNC[C@@H]2CCO2 207a_100020831831_100000209959 [0,0,0,1,0,0|2,1,0]=4 6524 B13R2.2381 c1csc(c1)CNC[C@@H]2CCO2 270004a_100020831831_100000209959 [0,0,0,1,0,0|2,1,0]=4 6525 B13R2.2381 c1csc(c1)COCC2CCC2 34a_100000211240_100000763275 [0,0,0,1,0,0|1,1,0]=3 6526 B13R2.2381 c1csc(c1)COCC2CCO2 34a_100000211240_100000103362 [0,0,0,1,0,0|2,1,0]=4 6527 B13R2.2381 c1csc(c1)COCC2COC2 34a_100000211240_100010264016 [0,0,0,1,0,0|2,1,0]=4 6528 B13R2.2381 c1csc(n1)CCNC2CCC2 270004a_100015186391_100000241760 [0,0,0,1,0,0|2,1,0]=4 6529 B13R2.2381 c1csc(n1)CNCC2CCC2 207a_100000738700_100000750902 [0,0,0,1,0,0|2,1,0]=4 6530 B13R2.2381 c1csc(n1)CNCC2CCC2 2230a_100000738700_100015184050 [0,0,0,1,0,0|2,1,0]=4 6531 B13R2.2381 c1csc(n1)CNCC2CCC2 2230a_100000740555_100000763275 [0,0,0,1,0,0|2,1,0]=4 6532 B13R2.2381 c1csc(n1)CNCC2CCC2 269862a_100000740555_100000753134 [0,0,0,1,0,0|2,1,0]=4 6533 B13R2.2381 c1csc(n1)CNCC2CCC2 270004a_100000738700_100000750902 [0,0,0,1,0,0|2,1,0]=4 6534 B13R2.2381 c1csc(n1)CNCC2CCC2 34a_100000738700_100015184050 [0,0,0,1,0,0|2,1,0]=4 6535 B13R2.2381 c1csc(n1)COCC2CCC2 34a_100000760304_100015184050 [0,0,0,1,0,0|2,1,0]=4 6536 B13R2.2381 c1csc(n1)CSCC2CCC2 62a_100000763275_100015184050 [0,0,0,1,0,0|2,1,0]=4 6537 B13R2.2381 c1csc(n1)CSCC2CCC2 62a_100015184050_100000763275 [0,0,0,1,0,0|2,1,0]=4 6538 B13R2.2381 c1nc(c[nH]1)CCNC2CCC2 2230a_100000749019_100020628418 [0,0,0,1,0,0|3,0,0]=4 6539 B13R2.2381 c1nc(c[nH]1)CCNC2CCC2 270004a_100000755092_100000241760 [0,0,0,1,0,0|3,0,0]=4 6540 B13R2.2381 c1nc(c[nH]1)CCSC2CCC2 62a_100020628418_100000749161 [0,0,0,1,0,0|3,0,0]=4 6541 B13R2.2381 c1nc(c[nH]1)CNCC2CCC2 2230a_100000738700_100000707719 [0,0,0,1,0,0|3,0,0]=4 6542 B13R2.2381 c1nc(c[nH]1)CNCC2CCC2 34a_100000738700_100000707719 [0,0,0,1,0,0|3,0,0]=4 6543 B13R2.2381 c1nc(c[nH]1)COCC2CCC2 34a_100000760304_100000707719 [0,0,0,1,0,0|3,0,0]=4 6544 B13R2.2381 c1nc(c[nH]1)CSCC2CCC2 62a_100000707719_100000763275 [0,0,0,1,0,0|3,0,0]=4 6545 B13R2.2381 c1nc(c[nH]1)CSCC2CCC2 62a_100000763275_100000707719 [0,0,0,1,0,0|3,0,0]=4 6546 B13R2.2381 c1nc(co1)CNCC2CCC2 269862a_100015188801_100000753134 [0,0,0,1,0,0|3,0,0]=4 6547 B13R2.2381 c1nc(co1)CNCC2CCC2 270004a_100000738700_100000050382 [0,0,0,1,0,0|3,0,0]=4 6548 B13R2.2381 c1nc(cs1)CNCC2CCC2 207a_100000738700_100000743575 [0,0,0,1,0,0|3,0,0]=4 6549 B13R2.2381 c1nc(cs1)CNCC2CCC2 2230a_100000738700_100000205941 [0,0,0,1,0,0|3,0,0]=4 6550 B13R2.2381 c1nc(cs1)CNCC2CCC2 2230a_100015185402_100000763275 [0,0,0,1,0,0|3,0,0]=4 6551 B13R2.2381 c1nc(cs1)CNCC2CCC2 269862a_100015185402_100000753134 [0,0,0,1,0,0|3,0,0]=4 6552 B13R2.2381 c1nc(cs1)CNCC2CCC2 270004a_100000738700_100000743575 [0,0,0,1,0,0|3,0,0]=4 6553 B13R2.2381 c1nc(cs1)CNCC2CCC2 34a_100000738700_100000205941 [0,0,0,1,0,0|3,0,0]=4 6554 B13R2.2381 c1nc(cs1)COCC2CCC2 34a_100000760304_100000205941 [0,0,0,1,0,0|3,0,0]=4 6555 B13R2.2381 c1nc(cs1)CSCC2CCC2 62a_100000205941_100000763275 [0,0,0,1,0,0|3,0,0]=4 6556 B13R2.2381 c1nc(cs1)CSCC2CCC2 62a_100000763275_100000205941 [0,0,0,1,0,0|3,0,0]=4 6557 B13R2.2381 c1ncc([nH]1)CNCC2CCC2 207a_100000738700_100000742939 [0,0,0,1,0,0|3,0,0]=4 6558 B13R2.2381 c1ncc(o1)CNCC2CCC2 269862a_100020634212_100000753134 [0,0,0,1,0,0|2,0,0]=3 6559 B13R2.2381 c1ncc(o1)CNCC2CCC2 270004a_100000738700_100000064291 [0,0,0,1,0,0|2,0,0]=3 6560 B13R2.2381 c1ncc(o1)CNCC2COC2 270004a_100015281925_100000064291 [0,0,0,1,0,0|3,0,0]=4 6561 B13R2.2381 c1ncc(o1)CNC[C@@H]2CCO2 270004a_100020831831_100000064291 [0,0,0,1,0,0|3,0,0]=4 6562 B13R2.2381 c1ncc(s1)CCNC2CCC2 270004a_100016991637_100000241760 [0,0,0,1,0,0|2,1,0]=4 6563 B13R2.2381 c1ncc(s1)CNCC2CCC2 207a_100000738700_100000749870 [0,0,0,1,0,0|2,1,0]=4 6564 B13R2.2381 c1ncc(s1)CNCC2CCC2 2230a_100000738700_100015185245 [0,0,0,1,0,0|2,1,0]=4 6565 B13R2.2381 c1ncc(s1)CNCC2CCC2 2230a_100016987365_100000763275 [0,0,0,1,0,0|2,1,0]=4 6566 B13R2.2381 c1ncc(s1)CNCC2CCC2 269862a_100016987365_100000753134 [0,0,0,1,0,0|2,1,0]=4 6567 B13R2.2381 c1ncc(s1)CNCC2CCC2 270004a_100000738700_100000749870 [0,0,0,1,0,0|2,1,0]=4 6568 B13R2.2381 c1ncc(s1)CNCC2CCC2 34a_100000738700_100015185245 [0,0,0,1,0,0|2,1,0]=4 6569 B13R2.2381 c1ncc(s1)COCC2CCC2 34a_100000760304_100015185245 [0,0,0,1,0,0|2,1,0]=4 6570 B13R2.2381 c1ncc(s1)CSCC2CCC2 62a_100000763275_100015185245 [0,0,0,1,0,0|2,1,0]=4 6571 B13R2.2381 c1ncc(s1)CSCC2CCC2 62a_100015185245_100000763275 [0,0,0,1,0,0|2,1,0]=4 6572 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [0,0,0,0,0,1|3,0,0]=4 6573 B13R1.28 BrCCCCOCc1ccccn1 34a_100011216708_100000721315 [0,0,0,0,0,1|3,0,0]=4 6574 B13R1.28 BrCCCCOCc1cccnc1 34a_100011216708_100000733263 [0,0,0,0,0,1|3,0,0]=4 6575 B13R1.28 BrCCCCOCc1cccnn1 34a_100011216708_100016990269 [0,0,0,0,0,1|3,0,0]=4 6576 B13R1.28 BrCCCCOCc1cnccn1 34a_100011216708_100016995436 [0,0,0,0,0,1|3,0,0]=4 6577 B13R1.28 BrCCCCOCc1ncccn1 34a_100011216708_100000703007 [0,0,0,0,0,1|3,0,0]=4 6578 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,0,0,0,0,1|3,0,0]=4 6579 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,0,0,0,0,1|3,0,0]=4 6580 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [0,0,0,0,0,1|1,0,2]=4 6581 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [0,0,0,0,0,1|1,0,2]=4 6582 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,0,0,0,0,1|1,0,2]=4 6583 B13R1.28 CCCCCC=Cc1cccnn1 271570a_100000062253_100016991348 [0,0,0,0,0,1|1,0,2]=4 6584 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [0,0,0,0,0,1|1,0,2]=4 6585 B13R1.28 CCCCCC=Cc1ccncn1 271570a_100000062253_100000703185 [0,0,0,0,0,1|1,0,2]=4 6586 B13R1.28 CCCCCC=Cc1cnccn1 271570a_100000062253_100000758340 [0,0,0,0,0,1|1,0,2]=4 6587 B13R1.28 CCCCCC=Cc1ncccn1 271570a_100000062253_100000211032 [0,0,0,0,0,1|1,0,2]=4 6588 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [0,0,0,0,0,1|2,0,1]=4 6589 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [0,0,0,0,0,1|2,0,1]=4 6590 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [0,0,0,0,0,1|2,0,1]=4 6591 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,0,0,0,0,1|2,0,0]=3 6592 B13R1.28 CCCCCCNc1cccnn1 27a_100000210581_100016991348 [0,0,0,0,0,1|2,0,0]=3 6593 B13R1.28 CCCCCCNc1ccncn1 27a_100000210581_100000703185 [0,0,0,0,0,1|2,0,0]=3 6594 B13R1.28 CCCCCCNc1cnccn1 27a_100000210581_100000211759 [0,0,0,0,0,1|2,0,0]=3 6595 B13R1.28 CCCCCCNc1ncccn1 27a_100000210581_100000211032 [0,0,0,0,0,1|2,0,0]=3 6596 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,0,0,0,0,1|2,0,0]=3 6597 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,0,0,0,0,1|2,0,0]=3 6598 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,0,0,0,0,1|2,0,0]=3 6599 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,0,0,0,0,1|2,0,0]=3 6600 B13R1.28 CCCCCCOc1ccncc1 34a_100000212176_100000210314 [0,0,0,0,0,1|2,0,0]=3 6601 B13R1.28 CCCCCCOc1ccnnc1 34a_100015204005_100000210314 [0,0,0,0,0,1|3,0,0]=4 6602 B13R1.28 CCCCCCOc1cncnc1 7a_100000754086_100000210314 [0,0,0,0,0,1|3,0,0]=4 6603 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,0,0,0,0,1|2,0,0]=3 6604 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,0,0,0,0,1|2,0,0]=3 6605 B13R1.28 CCCCCCSc1ccccn1 62a_100000210314_100011216584 [0,0,0,0,0,1|2,0,0]=3 6606 B13R1.28 CCCCCCSc1ccccn1 62a_100011216584_100000210757 [0,0,0,0,0,1|2,0,0]=3 6607 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,0,0,0,0,1|2,0,0]=3 6608 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,0,0,0,0,1|2,0,0]=3 6609 B13R1.28 CCCCCCSc1cccnn1 62a_100000210314_100016991348 [0,0,0,0,0,1|2,0,0]=3 6610 B13R1.28 CCCCCCSc1cccnn1 62a_100016991348_100000210757 [0,0,0,0,0,1|2,0,0]=3 6611 B13R1.28 CCCCCCSc1ccncc1 62a_100000210314_100000728582 [0,0,0,0,0,1|2,0,0]=3 6612 B13R1.28 CCCCCCSc1ccncc1 62a_100000728582_100000210757 [0,0,0,0,0,1|2,0,0]=3 6613 B13R1.28 CCCCCCSc1ccncn1 62a_100000210314_100000703185 [0,0,0,0,0,1|2,0,0]=3 6614 B13R1.28 CCCCCCSc1ccncn1 62a_100000703185_100000210757 [0,0,0,0,0,1|2,0,0]=3 6615 B13R1.28 CCCCCCSc1ccnnc1 62a_100000210314_100000732662 [0,0,0,0,0,1|3,0,0]=4 6616 B13R1.28 CCCCCCSc1ccnnc1 62a_100000732662_100000210757 [0,0,0,0,0,1|3,0,0]=4 6617 B13R1.28 CCCCCCSc1cnccn1 62a_100000210314_100000211759 [0,0,0,0,0,1|2,0,0]=3 6618 B13R1.28 CCCCCCSc1cnccn1 62a_100000211759_100000210757 [0,0,0,0,0,1|2,0,0]=3 6619 B13R1.28 CCCCCCSc1cncnc1 62a_100000210314_100011206942 [0,0,0,0,0,1|3,0,0]=4 6620 B13R1.28 CCCCCCSc1cncnc1 62a_100011206942_100000210757 [0,0,0,0,0,1|3,0,0]=4 6621 B13R1.28 CCCCCCSc1ncccn1 62a_100000210314_100000211032 [0,0,0,0,0,1|2,0,0]=3 6622 B13R1.28 CCCCCCSc1ncccn1 62a_100000211032_100000210757 [0,0,0,0,0,1|2,0,0]=3 6623 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,0,0,0,0,1|2,0,0]=3 6624 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,0,0,0,0,1|2,0,0]=3 6625 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,0,0,0,0,1|2,0,0]=3 6626 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,0,0,0,0,1|2,0,0]=3 6627 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,0,0,0,0,1|2,0,0]=3 6628 B13R1.28 CCCCCNCc1ccccn1 207a_100000209983_100000209966 [0,0,0,0,0,1|2,0,0]=3 6629 B13R1.28 CCCCCNCc1ccccn1 2230a_100000209983_100000721315 [0,0,0,0,0,1|2,0,0]=3 6630 B13R1.28 CCCCCNCc1ccccn1 270004a_100000209983_100000209966 [0,0,0,0,0,1|2,0,0]=3 6631 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,0,0,0,0,1|2,0,0]=3 6632 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,0,0,0,0,1|2,0,0]=3 6633 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,0,0,0,0,1|2,0,0]=3 6634 B13R1.28 CCCCCNCc1cccnn1 2230a_100000209983_100016990269 [0,0,0,0,0,1|2,0,0]=3 6635 B13R1.28 CCCCCNCc1cccnn1 2230a_100159270163_100000210326 [0,0,0,0,0,1|2,0,0]=3 6636 B13R1.28 CCCCCNCc1ccncc1 207a_100000209983_100000186114 [0,0,0,0,0,1|2,0,0]=3 6637 B13R1.28 CCCCCNCc1ccncc1 2230a_100000209983_100015193705 [0,0,0,0,0,1|2,0,0]=3 6638 B13R1.28 CCCCCNCc1ccnnc1 270004a_100000209983_100011934578 [0,0,0,0,0,1|3,0,0]=4 6639 B13R1.28 CCCCCNCc1cnccn1 2230a_100000209983_100016995436 [0,0,0,0,0,1|2,0,0]=3 6640 B13R1.28 CCCCCNCc1cnccn1 270004a_100000209983_100000749867 [0,0,0,0,0,1|2,0,0]=3 6641 B13R1.28 CCCCCNCc1cncnc1 2230a_100000209983_100015196519 [0,0,0,0,0,1|3,0,0]=4 6642 B13R1.28 CCCCCNCc1cncnc1 2230a_100011243677_100000210326 [0,0,0,0,0,1|3,0,0]=4 6643 B13R1.28 CCCCCNCc1cncnc1 270004a_100000209983_100000749868 [0,0,0,0,0,1|3,0,0]=4 6644 B13R1.28 CCCCCNCc1ncccn1 2230a_100000209983_100000703007 [0,0,0,0,0,1|2,0,0]=3 6645 B13R1.28 CCCCCNCc1ncccn1 270004a_100000209983_100011532527 [0,0,0,0,0,1|2,0,0]=3 6646 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,0,0,0,0,1|1,0,2]=4 6647 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,0,0,0,0,1|2,0,0]=3 6648 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,0,0,0,0,1|2,0,0]=3 6649 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,0,0,0,0,1|2,0,0]=3 6650 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,0,0,0,0,1|2,0,0]=3 6651 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [0,0,0,0,0,1|2,0,0]=3 6652 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [0,0,0,0,0,1|2,0,0]=3 6653 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,0,0,0,0,1|2,0,0]=3 6654 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,0,0,0,0,1|2,0,0]=3 6655 B13R1.28 CCCCCOCc1cccnn1 34a_100000210253_100016990269 [0,0,0,0,0,1|2,0,0]=3 6656 B13R1.28 CCCCCOCc1cccnn1 7a_100000210253_100016990269 [0,0,0,0,0,1|2,0,0]=3 6657 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [0,0,0,0,0,1|2,0,0]=3 6658 B13R1.28 CCCCCOCc1cnccn1 34a_100000210253_100016995436 [0,0,0,0,0,1|2,0,0]=3 6659 B13R1.28 CCCCCOCc1cnccn1 7a_100000210253_100016995436 [0,0,0,0,0,1|2,0,0]=3 6660 B13R1.28 CCCCCOCc1cncnc1 34a_100000210253_100015196519 [0,0,0,0,0,1|3,0,0]=4 6661 B13R1.28 CCCCCOCc1cncnc1 7a_100000210253_100015196519 [0,0,0,0,0,1|3,0,0]=4 6662 B13R1.28 CCCCCOCc1ncccn1 34a_100000210253_100000703007 [0,0,0,0,0,1|2,0,0]=3 6663 B13R1.28 CCCCCOCc1ncccn1 7a_100000210253_100000703007 [0,0,0,0,0,1|2,0,0]=3 6664 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,0,0,0,0,1|2,0,0]=3 6665 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,0,0,0,0,1|2,0,0]=3 6666 B13R1.28 CCCCCSCc1ccccn1 62a_100000210326_100000721315 [0,0,0,0,0,1|2,0,0]=3 6667 B13R1.28 CCCCCSCc1ccccn1 62a_100000721315_100000210326 [0,0,0,0,0,1|2,0,0]=3 6668 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,0,0,0,0,1|2,0,0]=3 6669 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,0,0,0,0,1|2,0,0]=3 6670 B13R1.28 CCCCCSCc1cccnn1 62a_100000210326_100016990269 [0,0,0,0,0,1|2,0,0]=3 6671 B13R1.28 CCCCCSCc1cccnn1 62a_100016990269_100000210326 [0,0,0,0,0,1|2,0,0]=3 6672 B13R1.28 CCCCCSCc1ccncc1 62a_100000210326_100015193705 [0,0,0,0,0,1|2,0,0]=3 6673 B13R1.28 CCCCCSCc1ccncc1 62a_100015193705_100000210326 [0,0,0,0,0,1|2,0,0]=3 6674 B13R1.28 CCCCCSCc1cnccn1 62a_100000210326_100016995436 [0,0,0,0,0,1|2,0,0]=3 6675 B13R1.28 CCCCCSCc1cnccn1 62a_100016995436_100000210326 [0,0,0,0,0,1|2,0,0]=3 6676 B13R1.28 CCCCCSCc1cncnc1 62a_100000210326_100015196519 [0,0,0,0,0,1|3,0,0]=4 6677 B13R1.28 CCCCCSCc1cncnc1 62a_100015196519_100000210326 [0,0,0,0,0,1|3,0,0]=4 6678 B13R1.28 CCCCCSCc1ncccn1 62a_100000210326_100000703007 [0,0,0,0,0,1|2,0,0]=3 6679 B13R1.28 CCCCCSCc1ncccn1 62a_100000703007_100000210326 [0,0,0,0,0,1|2,0,0]=3 6680 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,0,0,0,0,1|2,0,0]=3 6681 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,0,0,0,0,1|2,0,0]=3 6682 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,0,0,0,0,1|2,0,0]=3 6683 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,0,0,0,0,1|2,0,0]=3 6684 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [0,0,0,0,0,1|2,0,0]=3 6685 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [0,0,0,0,0,1|2,0,0]=3 6686 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,0,0,0,0,1|2,0,0]=3 6687 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,0,0,0,0,1|2,0,0]=3 6688 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,0,0,0,0,1|2,0,0]=3 6689 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [0,0,0,0,0,1|2,0,0]=3 6690 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [0,0,0,0,0,1|2,0,0]=3 6691 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [0,0,0,0,0,1|3,0,0]=4 6692 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,0,0,0,0,1|2,0,0]=3 6693 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,0,0,0,0,1|2,0,0]=3 6694 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,0,0,0,0,1|2,0,0]=3 6695 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,0,0,0,0,1|2,0,0]=3 6696 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,0,0,0,0,1|2,0,0]=3 6697 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,0,0,0,0,1|2,0,0]=3 6698 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,0,0,0,0,1|2,0,0]=3 6699 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,0,0,0,0,1|2,0,0]=3 6700 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,0,0,0,0,1|2,0,0]=3 6701 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,0,0,0,0,1|2,0,0]=3 6702 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,0,0,0,0,1|2,0,0]=3 6703 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [0,0,0,0,0,1|3,0,0]=4 6704 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [0,0,0,0,0,1|3,0,0]=4 6705 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [0,0,0,0,0,1|3,0,0]=4 6706 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [0,0,0,0,0,1|3,0,0]=4 6707 B13R1.28 CCCCOCOc1ccncc1 34a_100000212176_100011995733 [0,0,0,0,0,1|3,0,0]=4 6708 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [0,0,0,0,0,1|3,0,0]=4 6709 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [0,0,0,0,0,1|3,0,0]=4 6710 B13R1.28 CCCCOCSc1ccccn1 62a_100011216584_100011995733 [0,0,0,0,0,1|3,0,0]=4 6711 B13R1.28 CCCCOCSc1ccccn1 62a_100011995733_100011216584 [0,0,0,0,0,1|3,0,0]=4 6712 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [0,0,0,0,0,1|3,0,0]=4 6713 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [0,0,0,0,0,1|3,0,0]=4 6714 B13R1.28 CCCCOCSc1cccnn1 62a_100011995733_100016991348 [0,0,0,0,0,1|3,0,0]=4 6715 B13R1.28 CCCCOCSc1cccnn1 62a_100016991348_100011995733 [0,0,0,0,0,1|3,0,0]=4 6716 B13R1.28 CCCCOCSc1ccncc1 62a_100000728582_100011995733 [0,0,0,0,0,1|3,0,0]=4 6717 B13R1.28 CCCCOCSc1ccncc1 62a_100011995733_100000728582 [0,0,0,0,0,1|3,0,0]=4 6718 B13R1.28 CCCCOCSc1ccncn1 62a_100000703185_100011995733 [0,0,0,0,0,1|3,0,0]=4 6719 B13R1.28 CCCCOCSc1ccncn1 62a_100011995733_100000703185 [0,0,0,0,0,1|3,0,0]=4 6720 B13R1.28 CCCCOCSc1cnccn1 62a_100000211759_100011995733 [0,0,0,0,0,1|3,0,0]=4 6721 B13R1.28 CCCCOCSc1cnccn1 62a_100011995733_100000211759 [0,0,0,0,0,1|3,0,0]=4 6722 B13R1.28 CCCCOCSc1ncccn1 62a_100000211032_100011995733 [0,0,0,0,0,1|3,0,0]=4 6723 B13R1.28 CCCCOCSc1ncccn1 62a_100011995733_100000211032 [0,0,0,0,0,1|3,0,0]=4 6724 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,0,0,0,0,1|2,0,0]=3 6725 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,0,0,0,0,1|2,0,0]=3 6726 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [0,0,0,0,0,1|2,0,0]=3 6727 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [0,0,0,0,0,1|2,0,0]=3 6728 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,0,0,0,0,1|2,0,0]=3 6729 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,0,0,0,0,1|2,0,0]=3 6730 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [0,0,0,0,0,1|2,0,0]=3 6731 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [0,0,0,0,0,1|2,0,0]=3 6732 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [0,0,0,0,0,1|3,0,0]=4 6733 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [0,0,0,0,0,1|3,0,0]=4 6734 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,0,0,0,0,1|2,0,0]=3 6735 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,0,0,0,0,1|2,0,0]=3 6736 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,0,0,0,0,1|2,0,0]=3 6737 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,0,0,0,0,1|2,0,0]=3 6738 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [0,0,0,0,0,1|2,0,0]=3 6739 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [0,0,0,0,0,1|3,0,0]=4 6740 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [0,0,0,0,0,1|3,0,0]=4 6741 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [0,0,0,0,0,1|3,0,0]=4 6742 B13R1.28 CCCNCCOc1ccccn1 2230a_106741647558_100000210303 [0,0,0,0,0,1|3,0,0]=4 6743 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [0,0,0,0,0,1|3,0,0]=4 6744 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [0,0,0,0,0,1|3,0,0]=4 6745 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,0,0,0,0,1|2,0,0]=3 6746 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,0,0,0,0,1|2,0,0]=3 6747 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,0,0,0,0,1|2,0,0]=3 6748 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,0,0,0,0,1|2,0,0]=3 6749 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [0,0,0,0,0,1|2,0,0]=3 6750 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,0,0,0,0,1|2,0,0]=3 6751 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [0,0,0,0,0,1|2,0,0]=3 6752 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [0,0,0,0,0,1|3,0,0]=4 6753 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [0,0,0,0,0,1|3,0,0]=4 6754 B13R1.28 CCCOCCNc1cccnn1 27a_100161115042_100016991348 [0,0,0,0,0,1|3,0,0]=4 6755 B13R1.28 CCCOCCNc1ccncc1 34a_200011243140_100000210303 [0,0,0,0,0,1|3,0,0]=4 6756 B13R1.28 CCCOCCNc1ccncn1 27a_100161115042_100000703185 [0,0,0,0,0,1|3,0,0]=4 6757 B13R1.28 CCCOCCNc1cnccn1 27a_100161115042_100000211759 [0,0,0,0,0,1|3,0,0]=4 6758 B13R1.28 CCCOCCNc1ncccn1 27a_100161115042_100000211032 [0,0,0,0,0,1|3,0,0]=4 6759 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [0,0,0,0,0,1|3,0,0]=4 6760 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [0,0,0,0,0,1|3,0,0]=4 6761 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [0,0,0,0,0,1|3,0,0]=4 6762 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [0,0,0,0,0,1|3,0,0]=4 6763 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [0,0,0,0,0,1|3,0,0]=4 6764 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [0,0,0,0,0,1|3,0,0]=4 6765 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [0,0,0,0,0,1|3,0,0]=4 6766 B13R1.28 CCCOCCOc1ccncc1 34a_100000212176_100011215938 [0,0,0,0,0,1|3,0,0]=4 6767 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [0,0,0,0,0,1|3,0,0]=4 6768 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [0,0,0,0,0,1|3,0,0]=4 6769 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [0,0,0,0,0,1|3,0,0]=4 6770 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [0,0,0,0,0,1|3,0,0]=4 6771 B13R1.28 CCCOCCSc1ccccn1 62a_100011215938_100011216584 [0,0,0,0,0,1|3,0,0]=4 6772 B13R1.28 CCCOCCSc1ccccn1 62a_100011216584_100011215938 [0,0,0,0,0,1|3,0,0]=4 6773 B13R1.28 CCCOCCSc1ccccn1 7a_100000156319_100000210303 [0,0,0,0,0,1|3,0,0]=4 6774 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [0,0,0,0,0,1|3,0,0]=4 6775 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [0,0,0,0,0,1|3,0,0]=4 6776 B13R1.28 CCCOCCSc1cccnn1 62a_100011215938_100016991348 [0,0,0,0,0,1|3,0,0]=4 6777 B13R1.28 CCCOCCSc1cccnn1 62a_100016991348_100011215938 [0,0,0,0,0,1|3,0,0]=4 6778 B13R1.28 CCCOCCSc1ccncc1 62a_100000728582_100011215938 [0,0,0,0,0,1|3,0,0]=4 6779 B13R1.28 CCCOCCSc1ccncc1 62a_100011215938_100000728582 [0,0,0,0,0,1|3,0,0]=4 6780 B13R1.28 CCCOCCSc1ccncn1 62a_100000703185_100011215938 [0,0,0,0,0,1|3,0,0]=4 6781 B13R1.28 CCCOCCSc1ccncn1 62a_100011215938_100000703185 [0,0,0,0,0,1|3,0,0]=4 6782 B13R1.28 CCCOCCSc1cnccn1 62a_100000211759_100011215938 [0,0,0,0,0,1|3,0,0]=4 6783 B13R1.28 CCCOCCSc1cnccn1 62a_100011215938_100000211759 [0,0,0,0,0,1|3,0,0]=4 6784 B13R1.28 CCCOCCSc1ncccn1 62a_100000211032_100011215938 [0,0,0,0,0,1|3,0,0]=4 6785 B13R1.28 CCCOCCSc1ncccn1 62a_100011215938_100000211032 [0,0,0,0,0,1|3,0,0]=4 6786 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [0,0,0,0,0,1|3,0,0]=4 6787 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [0,0,0,0,0,1|3,0,0]=4 6788 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,0,0,0,0,1|2,0,0]=3 6789 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,0,0,0,0,1|2,0,0]=3 6790 B13R1.28 CCCSCCNc1cccnn1 27a_100020603323_100016991348 [0,0,0,0,0,1|3,0,0]=4 6791 B13R1.28 CCCSCCNc1ccncn1 27a_100020603323_100000703185 [0,0,0,0,0,1|3,0,0]=4 6792 B13R1.28 CCCSCCNc1cnccn1 27a_100020603323_100000211759 [0,0,0,0,0,1|3,0,0]=4 6793 B13R1.28 CCCSCCNc1ncccn1 27a_100020603323_100000211032 [0,0,0,0,0,1|3,0,0]=4 6794 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [0,0,0,0,0,1|3,0,0]=4 6795 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [0,0,0,0,0,1|3,0,0]=4 6796 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [0,0,0,0,0,1|3,0,0]=4 6797 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [0,0,0,0,0,1|3,0,0]=4 6798 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [0,0,0,0,0,1|3,0,0]=4 6799 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [0,0,0,0,0,1|3,0,0]=4 6800 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [0,0,0,0,0,1|3,0,0]=4 6801 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [0,0,0,0,0,1|3,0,0]=4 6802 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,0,0,0,0,1|2,0,0]=3 6803 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,0,0,0,0,1|2,0,0]=3 6804 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,0,0,0,0,1|2,0,0]=3 6805 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [0,0,0,0,0,1|2,0,0]=3 6806 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [0,0,0,0,0,1|3,0,0]=4 6807 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [0,0,0,0,0,1|3,0,0]=4 6808 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [0,0,0,0,0,1|3,0,0]=4 6809 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [0,0,0,0,0,1|3,0,0]=4 6810 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [0,0,0,0,0,1|3,0,0]=4 6811 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,0,0,0,0,1|3,0,0]=4 6812 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,0,0,0,0,1|3,0,0]=4 6813 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,0,0,0,0,1|3,0,0]=4 6814 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,0,0,0,0,1|3,0,0]=4 6815 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,0,0,0,0,1|3,0,0]=4 6816 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,0,0,0,0,1|3,0,0]=4 6817 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,0,0,0,0,1|3,0,0]=4 6818 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,0,0,0,0,1|2,0,0]=3 6819 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,0,0,0,0,1|2,0,0]=3 6820 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,0,0,0,0,1|2,0,0]=3 6821 B13R1.28 CCOCCCCc1ccccn1 34a_100012186994_100000210202 [0,0,0,0,0,1|2,0,0]=3 6822 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,0,0,0,0,1|2,0,0]=3 6823 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,0,0,0,0,1|2,0,0]=3 6824 B13R1.28 CCOCCCCc1ccncc1 34a_100011787716_100000210202 [0,0,0,0,0,1|2,0,0]=3 6825 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [0,0,0,0,0,1|3,0,0]=4 6826 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [0,0,0,0,0,1|3,0,0]=4 6827 B13R1.28 CCOCCCNc1cccnn1 27a_100000210961_100016991348 [0,0,0,0,0,1|3,0,0]=4 6828 B13R1.28 CCOCCCNc1ccncn1 27a_100000210961_100000703185 [0,0,0,0,0,1|3,0,0]=4 6829 B13R1.28 CCOCCCNc1cnccn1 27a_100000210961_100000211759 [0,0,0,0,0,1|3,0,0]=4 6830 B13R1.28 CCOCCCNc1ncccn1 27a_100000210961_100000211032 [0,0,0,0,0,1|3,0,0]=4 6831 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [0,0,0,0,0,1|3,0,0]=4 6832 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [0,0,0,0,0,1|3,0,0]=4 6833 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [0,0,0,0,0,1|3,0,0]=4 6834 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [0,0,0,0,0,1|3,0,0]=4 6835 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [0,0,0,0,0,1|3,0,0]=4 6836 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [0,0,0,0,0,1|3,0,0]=4 6837 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [0,0,0,0,0,1|3,0,0]=4 6838 B13R1.28 CCOCCCOc1ccncc1 34a_100000212176_100012232248 [0,0,0,0,0,1|3,0,0]=4 6839 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [0,0,0,0,0,1|3,0,0]=4 6840 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [0,0,0,0,0,1|3,0,0]=4 6841 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [0,0,0,0,0,1|3,0,0]=4 6842 B13R1.28 CCOCCCSc1ccccn1 62a_100011216584_100012232248 [0,0,0,0,0,1|3,0,0]=4 6843 B13R1.28 CCOCCCSc1ccccn1 62a_100012232248_100011216584 [0,0,0,0,0,1|3,0,0]=4 6844 B13R1.28 CCOCCCSc1cccnc1 62a_100000210063_100012232248 [0,0,0,0,0,1|3,0,0]=4 6845 B13R1.28 CCOCCCSc1cccnc1 62a_100012232248_100000210063 [0,0,0,0,0,1|3,0,0]=4 6846 B13R1.28 CCOCCCSc1cccnn1 62a_100012232248_100016991348 [0,0,0,0,0,1|3,0,0]=4 6847 B13R1.28 CCOCCCSc1cccnn1 62a_100016991348_100012232248 [0,0,0,0,0,1|3,0,0]=4 6848 B13R1.28 CCOCCCSc1ccncc1 62a_100000728582_100012232248 [0,0,0,0,0,1|3,0,0]=4 6849 B13R1.28 CCOCCCSc1ccncc1 62a_100012232248_100000728582 [0,0,0,0,0,1|3,0,0]=4 6850 B13R1.28 CCOCCCSc1ccncn1 62a_100000703185_100012232248 [0,0,0,0,0,1|3,0,0]=4 6851 B13R1.28 CCOCCCSc1ccncn1 62a_100012232248_100000703185 [0,0,0,0,0,1|3,0,0]=4 6852 B13R1.28 CCOCCCSc1cnccn1 62a_100000211759_100012232248 [0,0,0,0,0,1|3,0,0]=4 6853 B13R1.28 CCOCCCSc1cnccn1 62a_100012232248_100000211759 [0,0,0,0,0,1|3,0,0]=4 6854 B13R1.28 CCOCCCSc1ncccn1 62a_100000211032_100012232248 [0,0,0,0,0,1|3,0,0]=4 6855 B13R1.28 CCOCCCSc1ncccn1 62a_100012232248_100000211032 [0,0,0,0,0,1|3,0,0]=4 6856 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [0,0,0,0,0,1|3,0,0]=4 6857 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [0,0,0,0,0,1|3,0,0]=4 6858 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [0,0,0,0,0,1|3,0,0]=4 6859 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [0,0,0,0,0,1|3,0,0]=4 6860 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [0,0,0,0,0,1|3,0,0]=4 6861 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [0,0,0,0,0,1|3,0,0]=4 6862 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [0,0,0,0,0,1|3,0,0]=4 6863 B13R1.28 CCOCCNCc1ccccn1 207a_100011200944_100000209966 [0,0,0,0,0,1|3,0,0]=4 6864 B13R1.28 CCOCCNCc1ccccn1 2230a_102516460346_100000721315 [0,0,0,0,0,1|3,0,0]=4 6865 B13R1.28 CCOCCNCc1ccccn1 270004a_102516460346_100000209966 [0,0,0,0,0,1|3,0,0]=4 6866 B13R1.28 CCOCCNCc1ccccn1 34a_102516460346_100000721315 [0,0,0,0,0,1|3,0,0]=4 6867 B13R1.28 CCOCCNCc1cccnc1 207a_100011200944_100000209961 [0,0,0,0,0,1|3,0,0]=4 6868 B13R1.28 CCOCCNCc1cccnc1 2230a_102516460346_100000741622 [0,0,0,0,0,1|3,0,0]=4 6869 B13R1.28 CCOCCNCc1cccnc1 270004a_102516460346_100000209961 [0,0,0,0,0,1|3,0,0]=4 6870 B13R1.28 CCOCCNCc1cccnc1 34a_102516460346_100000733263 [0,0,0,0,0,1|3,0,0]=4 6871 B13R1.28 CCOCCNCc1cccnn1 2230a_100159270163_100011215890 [0,0,0,0,0,1|3,0,0]=4 6872 B13R1.28 CCOCCNCc1cccnn1 2230a_102516460346_100016990269 [0,0,0,0,0,1|3,0,0]=4 6873 B13R1.28 CCOCCNCc1cccnn1 34a_102516460346_100016990269 [0,0,0,0,0,1|3,0,0]=4 6874 B13R1.28 CCOCCNCc1ccncc1 207a_100011200944_100000186114 [0,0,0,0,0,1|3,0,0]=4 6875 B13R1.28 CCOCCNCc1ccncc1 2230a_102516460346_100015193705 [0,0,0,0,0,1|3,0,0]=4 6876 B13R1.28 CCOCCNCc1cnccn1 2230a_102516460346_100016995436 [0,0,0,0,0,1|3,0,0]=4 6877 B13R1.28 CCOCCNCc1cnccn1 270004a_102516460346_100000749867 [0,0,0,0,0,1|3,0,0]=4 6878 B13R1.28 CCOCCNCc1cnccn1 34a_102516460346_100016995436 [0,0,0,0,0,1|3,0,0]=4 6879 B13R1.28 CCOCCNCc1ncccn1 2230a_102516460346_100000703007 [0,0,0,0,0,1|3,0,0]=4 6880 B13R1.28 CCOCCNCc1ncccn1 270004a_102516460346_100011532527 [0,0,0,0,0,1|3,0,0]=4 6881 B13R1.28 CCOCCNCc1ncccn1 34a_102516460346_100000703007 [0,0,0,0,0,1|3,0,0]=4 6882 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [0,0,0,0,0,1|3,0,0]=4 6883 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [0,0,0,0,0,1|3,0,0]=4 6884 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [0,0,0,0,0,1|3,0,0]=4 6885 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [0,0,0,0,0,1|3,0,0]=4 6886 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [0,0,0,0,0,1|3,0,0]=4 6887 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [0,0,0,0,0,1|3,0,0]=4 6888 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [0,0,0,0,0,1|3,0,0]=4 6889 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [0,0,0,0,0,1|3,0,0]=4 6890 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [0,0,0,0,0,1|3,0,0]=4 6891 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [0,0,0,0,0,1|3,0,0]=4 6892 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [0,0,0,0,0,1|3,0,0]=4 6893 B13R1.28 CCOCCOCc1cccnn1 34a_100000210136_100016990269 [0,0,0,0,0,1|3,0,0]=4 6894 B13R1.28 CCOCCOCc1cccnn1 7a_100000210136_100016990269 [0,0,0,0,0,1|3,0,0]=4 6895 B13R1.28 CCOCCOCc1ccncc1 7a_100000210136_100015193705 [0,0,0,0,0,1|3,0,0]=4 6896 B13R1.28 CCOCCOCc1cnccn1 34a_100000210136_100016995436 [0,0,0,0,0,1|3,0,0]=4 6897 B13R1.28 CCOCCOCc1cnccn1 7a_100000210136_100016995436 [0,0,0,0,0,1|3,0,0]=4 6898 B13R1.28 CCOCCOCc1ncccn1 34a_100000210136_100000703007 [0,0,0,0,0,1|3,0,0]=4 6899 B13R1.28 CCOCCOCc1ncccn1 7a_100000210136_100000703007 [0,0,0,0,0,1|3,0,0]=4 6900 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [0,0,0,0,0,1|3,0,0]=4 6901 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [0,0,0,0,0,1|3,0,0]=4 6902 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [0,0,0,0,0,1|3,0,0]=4 6903 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [0,0,0,0,0,1|3,0,0]=4 6904 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [0,0,0,0,0,1|3,0,0]=4 6905 B13R1.28 CCOCCSCc1ccccn1 62a_100000210147_100000721315 [0,0,0,0,0,1|3,0,0]=4 6906 B13R1.28 CCOCCSCc1ccccn1 62a_100000721315_100011215890 [0,0,0,0,0,1|3,0,0]=4 6907 B13R1.28 CCOCCSCc1cccnc1 62a_100000210147_100000741622 [0,0,0,0,0,1|3,0,0]=4 6908 B13R1.28 CCOCCSCc1cccnc1 62a_100000741622_100011215890 [0,0,0,0,0,1|3,0,0]=4 6909 B13R1.28 CCOCCSCc1cccnn1 62a_100000210147_100016990269 [0,0,0,0,0,1|3,0,0]=4 6910 B13R1.28 CCOCCSCc1cccnn1 62a_100016990269_100011215890 [0,0,0,0,0,1|3,0,0]=4 6911 B13R1.28 CCOCCSCc1ccncc1 62a_100000210147_100015193705 [0,0,0,0,0,1|3,0,0]=4 6912 B13R1.28 CCOCCSCc1ccncc1 62a_100015193705_100011215890 [0,0,0,0,0,1|3,0,0]=4 6913 B13R1.28 CCOCCSCc1cnccn1 62a_100000210147_100016995436 [0,0,0,0,0,1|3,0,0]=4 6914 B13R1.28 CCOCCSCc1cnccn1 62a_100016995436_100011215890 [0,0,0,0,0,1|3,0,0]=4 6915 B13R1.28 CCOCCSCc1ncccn1 62a_100000210147_100000703007 [0,0,0,0,0,1|3,0,0]=4 6916 B13R1.28 CCOCCSCc1ncccn1 62a_100000703007_100011215890 [0,0,0,0,0,1|3,0,0]=4 6917 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [0,0,0,0,0,1|3,0,0]=4 6918 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [0,0,0,0,0,1|3,0,0]=4 6919 B13R1.28 CCOCSCCc1ccccn1 62a_100000739092_100015183660 [0,0,0,0,0,1|3,0,0]=4 6920 B13R1.28 CCOCSCCc1ccccn1 62a_100015183660_100000739092 [0,0,0,0,0,1|3,0,0]=4 6921 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [0,0,0,0,0,1|3,0,0]=4 6922 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [0,0,0,0,0,1|3,0,0]=4 6923 B13R1.28 CCOCSCCc1ccncc1 62a_100000723409_100000739092 [0,0,0,0,0,1|3,0,0]=4 6924 B13R1.28 CCOCSCCc1ccncc1 62a_100000739092_100000723409 [0,0,0,0,0,1|3,0,0]=4 6925 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,0,0,0,0,1|2,0,0]=3 6926 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,0,0,0,0,1|2,0,0]=3 6927 B13R1.28 CCSCCCCc1ccncc1 62a_100000210202_100020630000 [0,0,0,0,0,1|2,0,0]=3 6928 B13R1.28 CCSCCCCc1ccncc1 62a_100020630000_100000210202 [0,0,0,0,0,1|2,0,0]=3 6929 B13R1.28 CCSCCCOc1ccccc1 62a_100000199009_100000210202 [0,0,0,0,0,1|3,0,0]=4 6930 B13R1.28 CCSCCCOc1ccccc1 62a_100000210202_100000199009 [0,0,0,0,0,1|3,0,0]=4 6931 B13R1.28 CCSCCCSc1ccccc1 62a_100000210202_200011203293 [0,0,0,0,0,1|3,0,0]=4 6932 B13R1.28 CCSCCCSc1ccccc1 62a_200011203293_100000210202 [0,0,0,0,0,1|3,0,0]=4 6933 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [0,0,0,0,0,1|3,0,0]=4 6934 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [0,0,0,0,0,1|3,0,0]=4 6935 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [0,0,0,0,0,1|3,0,0]=4 6936 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [0,0,0,0,0,1|3,0,0]=4 6937 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [0,0,0,0,0,1|3,0,0]=4 6938 B13R1.28 CCSCCNCc1ccccn1 207a_100000106463_100000209966 [0,0,0,0,0,1|3,0,0]=4 6939 B13R1.28 CCSCCNCc1ccccn1 2230a_100000106463_100000721315 [0,0,0,0,0,1|3,0,0]=4 6940 B13R1.28 CCSCCNCc1ccccn1 270004a_100000106463_100000209966 [0,0,0,0,0,1|3,0,0]=4 6941 B13R1.28 CCSCCNCc1cccnc1 207a_100000106463_100000209961 [0,0,0,0,0,1|3,0,0]=4 6942 B13R1.28 CCSCCNCc1cccnc1 2230a_100000106463_100000741622 [0,0,0,0,0,1|3,0,0]=4 6943 B13R1.28 CCSCCNCc1cccnc1 270004a_100000106463_100000209961 [0,0,0,0,0,1|3,0,0]=4 6944 B13R1.28 CCSCCNCc1cccnn1 2230a_100000106463_100016990269 [0,0,0,0,0,1|3,0,0]=4 6945 B13R1.28 CCSCCNCc1cccnn1 2230a_100159270163_100000757381 [0,0,0,0,0,1|3,0,0]=4 6946 B13R1.28 CCSCCNCc1ccncc1 207a_100000106463_100000186114 [0,0,0,0,0,1|3,0,0]=4 6947 B13R1.28 CCSCCNCc1ccncc1 2230a_100000106463_100015193705 [0,0,0,0,0,1|3,0,0]=4 6948 B13R1.28 CCSCCNCc1cnccn1 2230a_100000106463_100016995436 [0,0,0,0,0,1|3,0,0]=4 6949 B13R1.28 CCSCCNCc1cnccn1 270004a_100000106463_100000749867 [0,0,0,0,0,1|3,0,0]=4 6950 B13R1.28 CCSCCNCc1ncccn1 2230a_100000106463_100000703007 [0,0,0,0,0,1|3,0,0]=4 6951 B13R1.28 CCSCCNCc1ncccn1 270004a_100000106463_100011532527 [0,0,0,0,0,1|3,0,0]=4 6952 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [0,0,0,0,0,1|3,0,0]=4 6953 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [0,0,0,0,0,1|3,0,0]=4 6954 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [0,0,0,0,0,1|3,0,0]=4 6955 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [0,0,0,0,0,1|3,0,0]=4 6956 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [0,0,0,0,0,1|3,0,0]=4 6957 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [0,0,0,0,0,1|3,0,0]=4 6958 B13R1.28 CCSCCOCc1ccccn1 34a_100000212035_100000721315 [0,0,0,0,0,1|3,0,0]=4 6959 B13R1.28 CCSCCOCc1ccccn1 7a_100000212035_100000721315 [0,0,0,0,0,1|3,0,0]=4 6960 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [0,0,0,0,0,1|3,0,0]=4 6961 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [0,0,0,0,0,1|3,0,0]=4 6962 B13R1.28 CCSCCOCc1cccnn1 34a_100000212035_100016990269 [0,0,0,0,0,1|3,0,0]=4 6963 B13R1.28 CCSCCOCc1cccnn1 7a_100000212035_100016990269 [0,0,0,0,0,1|3,0,0]=4 6964 B13R1.28 CCSCCOCc1ccncc1 7a_100000212035_100015193705 [0,0,0,0,0,1|3,0,0]=4 6965 B13R1.28 CCSCCOCc1cnccn1 34a_100000212035_100016995436 [0,0,0,0,0,1|3,0,0]=4 6966 B13R1.28 CCSCCOCc1cnccn1 7a_100000212035_100016995436 [0,0,0,0,0,1|3,0,0]=4 6967 B13R1.28 CCSCCOCc1ncccn1 34a_100000212035_100000703007 [0,0,0,0,0,1|3,0,0]=4 6968 B13R1.28 CCSCCOCc1ncccn1 7a_100000212035_100000703007 [0,0,0,0,0,1|3,0,0]=4 6969 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [0,0,0,0,0,1|3,0,0]=4 6970 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [0,0,0,0,0,1|3,0,0]=4 6971 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [0,0,0,0,0,1|3,0,0]=4 6972 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [0,0,0,0,0,1|3,0,0]=4 6973 B13R1.28 CCSCCSCc1ccccn1 62a_100000721315_100000757381 [0,0,0,0,0,1|3,0,0]=4 6974 B13R1.28 CCSCCSCc1ccccn1 62a_100000757381_100000721315 [0,0,0,0,0,1|3,0,0]=4 6975 B13R1.28 CCSCCSCc1cccnc1 62a_100000741622_100000757381 [0,0,0,0,0,1|3,0,0]=4 6976 B13R1.28 CCSCCSCc1cccnc1 62a_100000757381_100000741622 [0,0,0,0,0,1|3,0,0]=4 6977 B13R1.28 CCSCCSCc1cccnn1 62a_100000757381_100016990269 [0,0,0,0,0,1|3,0,0]=4 6978 B13R1.28 CCSCCSCc1cccnn1 62a_100016990269_100000757381 [0,0,0,0,0,1|3,0,0]=4 6979 B13R1.28 CCSCCSCc1ccncc1 62a_100000757381_100015193705 [0,0,0,0,0,1|3,0,0]=4 6980 B13R1.28 CCSCCSCc1ccncc1 62a_100015193705_100000757381 [0,0,0,0,0,1|3,0,0]=4 6981 B13R1.28 CCSCCSCc1cnccn1 62a_100000757381_100016995436 [0,0,0,0,0,1|3,0,0]=4 6982 B13R1.28 CCSCCSCc1cnccn1 62a_100016995436_100000757381 [0,0,0,0,0,1|3,0,0]=4 6983 B13R1.28 CCSCCSCc1ncccn1 62a_100000703007_100000757381 [0,0,0,0,0,1|3,0,0]=4 6984 B13R1.28 CCSCCSCc1ncccn1 62a_100000757381_100000703007 [0,0,0,0,0,1|3,0,0]=4 6985 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,0,0,0,0,1|2,0,0]=3 6986 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,0,0,0,0,1|2,0,0]=3 6987 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,0,0,0,0,1|2,0,0]=3 6988 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,0,0,0,0,1|2,0,0]=3 6989 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,0,0,0,0,1|2,0,0]=3 6990 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,0,0,0,0,1|3,0,0]=4 6991 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,0,0,0,0,1|3,0,0]=4 6992 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,0,0,0,0,1|3,0,0]=4 6993 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,0,0,0,0,1|3,0,0]=4 6994 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,0,0,0,0,1|3,0,0]=4 6995 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,0,0,0,0,1|3,0,0]=4 6996 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,0,0,0,0,1|3,0,0]=4 6997 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,0,0,0,0,1|3,0,0]=4 6998 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,0,0,0,0,1|3,0,0]=4 6999 B13R1.28 CNCCCOCc1ccccn1 34a_100000213112_100000721315 [0,0,0,0,0,1|3,0,0]=4 7000 B13R1.28 CNCCCOCc1cccnc1 34a_100000213112_100000733263 [0,0,0,0,0,1|3,0,0]=4 7001 B13R1.28 CNCCCOCc1cccnn1 34a_100000213112_100016990269 [0,0,0,0,0,1|3,0,0]=4 7002 B13R1.28 CNCCCOCc1cnccn1 34a_100000213112_100016995436 [0,0,0,0,0,1|3,0,0]=4 7003 B13R1.28 CNCCCOCc1ncccn1 34a_100000213112_100000703007 [0,0,0,0,0,1|3,0,0]=4 7004 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,0,0,0,0,1|2,0,0]=3 7005 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,0,0,0,0,1|2,0,0]=3 7006 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,0,0,0,0,1|2,0,0]=3 7007 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [0,0,0,0,0,1|3,0,0]=4 7008 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [0,0,0,0,0,1|3,0,0]=4 7009 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [0,0,0,0,0,1|3,0,0]=4 7010 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [0,0,0,0,0,1|3,0,0]=4 7011 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [0,0,0,0,0,1|3,0,0]=4 7012 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [0,0,0,0,0,1|3,0,0]=4 7013 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [0,0,0,0,0,1|3,0,0]=4 7014 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [0,0,0,0,0,1|3,0,0]=4 7015 B13R1.28 COCCCCOc1ccncc1 34a_100000212176_100000755781 [0,0,0,0,0,1|3,0,0]=4 7016 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [0,0,0,0,0,1|3,0,0]=4 7017 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [0,0,0,0,0,1|3,0,0]=4 7018 B13R1.28 COCCCCSc1ccccn1 62a_100000730899_100011216584 [0,0,0,0,0,1|3,0,0]=4 7019 B13R1.28 COCCCCSc1ccccn1 62a_100011216584_100000730899 [0,0,0,0,0,1|3,0,0]=4 7020 B13R1.28 COCCCCSc1cccnc1 62a_100000210063_100000730899 [0,0,0,0,0,1|3,0,0]=4 7021 B13R1.28 COCCCCSc1cccnc1 62a_100000730899_100000210063 [0,0,0,0,0,1|3,0,0]=4 7022 B13R1.28 COCCCCSc1cccnn1 62a_100000730899_100016991348 [0,0,0,0,0,1|3,0,0]=4 7023 B13R1.28 COCCCCSc1cccnn1 62a_100016991348_100000730899 [0,0,0,0,0,1|3,0,0]=4 7024 B13R1.28 COCCCCSc1ccncc1 62a_100000728582_100000730899 [0,0,0,0,0,1|3,0,0]=4 7025 B13R1.28 COCCCCSc1ccncc1 62a_100000730899_100000728582 [0,0,0,0,0,1|3,0,0]=4 7026 B13R1.28 COCCCCSc1ccncn1 62a_100000703185_100000730899 [0,0,0,0,0,1|3,0,0]=4 7027 B13R1.28 COCCCCSc1ccncn1 62a_100000730899_100000703185 [0,0,0,0,0,1|3,0,0]=4 7028 B13R1.28 COCCCCSc1cnccn1 62a_100000211759_100000730899 [0,0,0,0,0,1|3,0,0]=4 7029 B13R1.28 COCCCCSc1cnccn1 62a_100000730899_100000211759 [0,0,0,0,0,1|3,0,0]=4 7030 B13R1.28 COCCCCSc1ncccn1 62a_100000211032_100000730899 [0,0,0,0,0,1|3,0,0]=4 7031 B13R1.28 COCCCCSc1ncccn1 62a_100000730899_100000211032 [0,0,0,0,0,1|3,0,0]=4 7032 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,0,0,0,0,1|3,0,0]=4 7033 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,0,0,0,0,1|3,0,0]=4 7034 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,0,0,0,0,1|3,0,0]=4 7035 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,0,0,0,0,1|3,0,0]=4 7036 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,0,0,0,0,1|3,0,0]=4 7037 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,0,0,0,0,1|3,0,0]=4 7038 B13R1.28 COCCCNCc1ccccn1 207a_100150723488_100000209966 [0,0,0,0,0,1|3,0,0]=4 7039 B13R1.28 COCCCNCc1ccccn1 270004a_100150723488_100000209966 [0,0,0,0,0,1|3,0,0]=4 7040 B13R1.28 COCCCNCc1ccccn1 34a_100150723488_100000721315 [0,0,0,0,0,1|3,0,0]=4 7041 B13R1.28 COCCCNCc1cccnc1 207a_100150723488_100000209961 [0,0,0,0,0,1|3,0,0]=4 7042 B13R1.28 COCCCNCc1cccnc1 270004a_100150723488_100000209961 [0,0,0,0,0,1|3,0,0]=4 7043 B13R1.28 COCCCNCc1cccnc1 34a_100150723488_100000733263 [0,0,0,0,0,1|3,0,0]=4 7044 B13R1.28 COCCCNCc1cccnn1 2230a_100159270163_100000740836 [0,0,0,0,0,1|3,0,0]=4 7045 B13R1.28 COCCCNCc1cccnn1 34a_100150723488_100016990269 [0,0,0,0,0,1|3,0,0]=4 7046 B13R1.28 COCCCNCc1ccncc1 207a_100150723488_100000186114 [0,0,0,0,0,1|3,0,0]=4 7047 B13R1.28 COCCCNCc1cnccn1 270004a_100150723488_100000749867 [0,0,0,0,0,1|3,0,0]=4 7048 B13R1.28 COCCCNCc1cnccn1 34a_100150723488_100016995436 [0,0,0,0,0,1|3,0,0]=4 7049 B13R1.28 COCCCNCc1ncccn1 270004a_100150723488_100011532527 [0,0,0,0,0,1|3,0,0]=4 7050 B13R1.28 COCCCNCc1ncccn1 34a_100150723488_100000703007 [0,0,0,0,0,1|3,0,0]=4 7051 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,0,0,0,0,1|3,0,0]=4 7052 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,0,0,0,0,1|3,0,0]=4 7053 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,0,0,0,0,1|3,0,0]=4 7054 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,0,0,0,0,1|3,0,0]=4 7055 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,0,0,0,0,1|3,0,0]=4 7056 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,0,0,0,0,1|3,0,0]=4 7057 B13R1.28 COCCCOCc1ccccn1 34a_100000740835_100000721315 [0,0,0,0,0,1|3,0,0]=4 7058 B13R1.28 COCCCOCc1cccnc1 34a_100000740835_100000733263 [0,0,0,0,0,1|3,0,0]=4 7059 B13R1.28 COCCCOCc1cccnn1 34a_100000740835_100016990269 [0,0,0,0,0,1|3,0,0]=4 7060 B13R1.28 COCCCOCc1cnccn1 34a_100000740835_100016995436 [0,0,0,0,0,1|3,0,0]=4 7061 B13R1.28 COCCCOCc1ncccn1 34a_100000740835_100000703007 [0,0,0,0,0,1|3,0,0]=4 7062 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,0,0,0,0,1|3,0,0]=4 7063 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,0,0,0,0,1|3,0,0]=4 7064 B13R1.28 COCCCSCc1ccccn1 62a_100000709357_100000721315 [0,0,0,0,0,1|3,0,0]=4 7065 B13R1.28 COCCCSCc1ccccn1 62a_100000721315_100000709357 [0,0,0,0,0,1|3,0,0]=4 7066 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [0,0,0,0,0,1|3,0,0]=4 7067 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [0,0,0,0,0,1|3,0,0]=4 7068 B13R1.28 COCCCSCc1cccnn1 62a_100000709357_100016990269 [0,0,0,0,0,1|3,0,0]=4 7069 B13R1.28 COCCCSCc1cccnn1 62a_100016990269_100000709357 [0,0,0,0,0,1|3,0,0]=4 7070 B13R1.28 COCCCSCc1ccncc1 62a_100000709357_100015193705 [0,0,0,0,0,1|3,0,0]=4 7071 B13R1.28 COCCCSCc1ccncc1 62a_100015193705_100000709357 [0,0,0,0,0,1|3,0,0]=4 7072 B13R1.28 COCCCSCc1cnccn1 62a_100000709357_100016995436 [0,0,0,0,0,1|3,0,0]=4 7073 B13R1.28 COCCCSCc1cnccn1 62a_100016995436_100000709357 [0,0,0,0,0,1|3,0,0]=4 7074 B13R1.28 COCCCSCc1ncccn1 62a_100000703007_100000709357 [0,0,0,0,0,1|3,0,0]=4 7075 B13R1.28 COCCCSCc1ncccn1 62a_100000709357_100000703007 [0,0,0,0,0,1|3,0,0]=4 7076 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,0,0,0,0,1|3,0,0]=4 7077 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,0,0,0,0,1|3,0,0]=4 7078 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,0,0,0,0,1|3,0,0]=4 7079 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [0,0,0,0,0,1|3,0,0]=4 7080 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [0,0,0,0,0,1|3,0,0]=4 7081 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [0,0,0,0,0,1|3,0,0]=4 7082 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [0,0,0,0,0,1|3,0,0]=4 7083 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,0,0,0,0,1|3,0,0]=4 7084 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,0,0,0,0,1|3,0,0]=4 7085 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,0,0,0,0,1|3,0,0]=4 7086 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,0,0,0,0,1|3,0,0]=4 7087 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,0,0,0,0,1|3,0,0]=4 7088 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [0,0,0,0,0,1|3,0,0]=4 7089 B13R1.28 COCCOCCc1cnccn1 34a_100011349526_100011201679 [0,0,0,0,0,1|3,0,0]=4 7090 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [0,0,0,0,0,1|3,0,0]=4 7091 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [0,0,0,0,0,1|3,0,0]=4 7092 B13R1.28 COCCSCCc1ccccn1 34a_100011362645_200000210301 [0,0,0,0,0,1|3,0,0]=4 7093 B13R1.28 COCCSCCc1ccccn1 62a_100000233755_100015183660 [0,0,0,0,0,1|3,0,0]=4 7094 B13R1.28 COCCSCCc1ccccn1 62a_100015183660_100000233755 [0,0,0,0,0,1|3,0,0]=4 7095 B13R1.28 COCCSCCc1ccccn1 7a_100011362645_200000210301 [0,0,0,0,0,1|3,0,0]=4 7096 B13R1.28 COCCSCCc1cccnc1 62a_100000233755_200011713674 [0,0,0,0,0,1|3,0,0]=4 7097 B13R1.28 COCCSCCc1cccnc1 62a_200011713674_100000233755 [0,0,0,0,0,1|3,0,0]=4 7098 B13R1.28 COCCSCCc1ccncc1 34a_200011193335_200000210301 [0,0,0,0,0,1|3,0,0]=4 7099 B13R1.28 COCCSCCc1ccncc1 62a_100000233755_100000723409 [0,0,0,0,0,1|3,0,0]=4 7100 B13R1.28 COCCSCCc1ccncc1 62a_100000723409_100000233755 [0,0,0,0,0,1|3,0,0]=4 7101 B13R1.28 COCCSCCc1ccncc1 7a_200011193335_200000210301 [0,0,0,0,0,1|3,0,0]=4 7102 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,0,0,0,0,1|3,0,0]=4 7103 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,0,0,0,0,1|3,0,0]=4 7104 B13R1.28 COCNCCCc1ccncc1 2230a_100011275580_100000766300 [0,0,0,0,0,1|3,0,0]=4 7105 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,0,0,0,0,1|3,0,0]=4 7106 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,0,0,0,0,1|3,0,0]=4 7107 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,0,0,0,0,1|2,0,0]=3 7108 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,0,0,0,0,1|2,0,0]=3 7109 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [0,0,0,0,0,1|3,0,0]=4 7110 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [0,0,0,0,0,1|3,0,0]=4 7111 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,0,0,0,0,1|3,0,0]=4 7112 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,0,0,0,0,1|3,0,0]=4 7113 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,0,0,0,0,1|3,0,0]=4 7114 B13R1.28 CSCCCNCc1ccccn1 207a_100000749238_100000209966 [0,0,0,0,0,1|3,0,0]=4 7115 B13R1.28 CSCCCNCc1ccccn1 2230a_100000749238_100000721315 [0,0,0,0,0,1|3,0,0]=4 7116 B13R1.28 CSCCCNCc1ccccn1 270004a_100000749238_100000209966 [0,0,0,0,0,1|3,0,0]=4 7117 B13R1.28 CSCCCNCc1cccnc1 207a_100000749238_100000209961 [0,0,0,0,0,1|3,0,0]=4 7118 B13R1.28 CSCCCNCc1cccnc1 2230a_100000749238_100000741622 [0,0,0,0,0,1|3,0,0]=4 7119 B13R1.28 CSCCCNCc1cccnc1 270004a_100000749238_100000209961 [0,0,0,0,0,1|3,0,0]=4 7120 B13R1.28 CSCCCNCc1cccnn1 2230a_100000749238_100016990269 [0,0,0,0,0,1|3,0,0]=4 7121 B13R1.28 CSCCCNCc1ccncc1 207a_100000749238_100000186114 [0,0,0,0,0,1|3,0,0]=4 7122 B13R1.28 CSCCCNCc1ccncc1 2230a_100000749238_100015193705 [0,0,0,0,0,1|3,0,0]=4 7123 B13R1.28 CSCCCNCc1cnccn1 2230a_100000749238_100016995436 [0,0,0,0,0,1|3,0,0]=4 7124 B13R1.28 CSCCCNCc1cnccn1 270004a_100000749238_100000749867 [0,0,0,0,0,1|3,0,0]=4 7125 B13R1.28 CSCCCNCc1ncccn1 2230a_100000749238_100000703007 [0,0,0,0,0,1|3,0,0]=4 7126 B13R1.28 CSCCCNCc1ncccn1 270004a_100000749238_100011532527 [0,0,0,0,0,1|3,0,0]=4 7127 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,0,0,0,0,1|3,0,0]=4 7128 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,0,0,0,0,1|3,0,0]=4 7129 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,0,0,0,0,1|3,0,0]=4 7130 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,0,0,0,0,1|3,0,0]=4 7131 B13R1.28 CSCCCOCc1ccccn1 34a_100000690336_100000721315 [0,0,0,0,0,1|3,0,0]=4 7132 B13R1.28 CSCCCOCc1ccccn1 7a_100000690336_100000721315 [0,0,0,0,0,1|3,0,0]=4 7133 B13R1.28 CSCCCOCc1cccnc1 34a_100000690336_100000733263 [0,0,0,0,0,1|3,0,0]=4 7134 B13R1.28 CSCCCOCc1cccnc1 7a_100000690336_100000741622 [0,0,0,0,0,1|3,0,0]=4 7135 B13R1.28 CSCCCOCc1cccnn1 34a_100000690336_100016990269 [0,0,0,0,0,1|3,0,0]=4 7136 B13R1.28 CSCCCOCc1cccnn1 7a_100000690336_100016990269 [0,0,0,0,0,1|3,0,0]=4 7137 B13R1.28 CSCCCOCc1ccncc1 7a_100000690336_100015193705 [0,0,0,0,0,1|3,0,0]=4 7138 B13R1.28 CSCCCOCc1cnccn1 34a_100000690336_100016995436 [0,0,0,0,0,1|3,0,0]=4 7139 B13R1.28 CSCCCOCc1cnccn1 7a_100000690336_100016995436 [0,0,0,0,0,1|3,0,0]=4 7140 B13R1.28 CSCCCOCc1ncccn1 34a_100000690336_100000703007 [0,0,0,0,0,1|3,0,0]=4 7141 B13R1.28 CSCCCOCc1ncccn1 7a_100000690336_100000703007 [0,0,0,0,0,1|3,0,0]=4 7142 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,0,0,0,0,1|3,0,0]=4 7143 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,0,0,0,0,1|3,0,0]=4 7144 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,0,0,0,0,1|3,0,0]=4 7145 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [0,0,0,0,0,1|3,0,0]=4 7146 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [0,0,0,0,0,1|3,0,0]=4 7147 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [0,0,0,0,0,1|3,0,0]=4 7148 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [0,0,0,0,0,1|3,0,0]=4 7149 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,0,0,0,0,1|3,0,0]=4 7150 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,0,0,0,0,1|3,0,0]=4 7151 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,0,0,0,0,1|3,0,0]=4 7152 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,0,0,0,0,1|3,0,0]=4 7153 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,0,0,0,0,1|3,0,0]=4 7154 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,0,0,0,0,1|3,0,0]=4 7155 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,0,0,0,0,1|3,0,0]=4 7156 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,0,0,0,0,1|3,0,0]=4 7157 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [0,0,0,0,0,1|3,0,0]=4 7158 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [0,0,0,0,0,1|3,0,0]=4 7159 B13R1.28 CSCCOCCc1cnccn1 34a_100011349526_100000212216 [0,0,0,0,0,1|3,0,0]=4 7160 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [0,0,0,0,0,1|3,0,0]=4 7161 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [0,0,0,0,0,1|3,0,0]=4 7162 B13R1.28 CSCCSCCc1ccccn1 62a_100000212216_100015183660 [0,0,0,0,0,1|3,0,0]=4 7163 B13R1.28 CSCCSCCc1ccccn1 62a_100015183660_100000751147 [0,0,0,0,0,1|3,0,0]=4 7164 B13R1.28 CSCCSCCc1cccnc1 62a_100000212216_200011713674 [0,0,0,0,0,1|3,0,0]=4 7165 B13R1.28 CSCCSCCc1cccnc1 62a_200011713674_100000751147 [0,0,0,0,0,1|3,0,0]=4 7166 B13R1.28 CSCCSCCc1ccncc1 62a_100000212216_100000723409 [0,0,0,0,0,1|3,0,0]=4 7167 B13R1.28 CSCCSCCc1ccncc1 62a_100000723409_100000751147 [0,0,0,0,0,1|3,0,0]=4 7168 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,0,0,0,0,1|3,0,0]=4 7169 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,0,0,0,0,1|3,0,0]=4 7170 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,0,0,0,0,1|3,0,0]=4 7171 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,0,0,0,0,1|3,0,0]=4 7172 B13R1.28 CSCNCCCc1ccncc1 2230a_100011275580_100011218213 [0,0,0,0,0,1|3,0,0]=4 7173 B13R1.28 CSCOCCCC1=CCC=CC1 34a_100020667889_100011218213 [0,0,0,0,0,1|3,0,0]=4 7174 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,0,0,0,0,1|3,0,0]=4 7175 B13R1.28 CSCOCCCc1ccccn1 34a_100011215068_100011218213 [0,0,0,0,0,1|3,0,0]=4 7176 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [0,0,0,0,0,1|3,0,0]=4 7177 B13R1.28 CSCOCCCc1ccncc1 34a_100000210659_100011218213 [0,0,0,0,0,1|3,0,0]=4 7178 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,0,0,0,0,1|3,0,0]=4 7179 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,0,0,0,0,1|3,0,0]=4 7180 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [0,0,0,0,0,1|3,0,0]=4 7181 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [0,0,0,0,0,1|3,0,0]=4 7182 B13R1.28 ClCCCCOCc1ccccn1 34a_100000210776_100000721315 [0,0,0,0,0,1|3,0,0]=4 7183 B13R1.28 ClCCCCOCc1ccccn1 7a_100000210776_100000721315 [0,0,0,0,0,1|3,0,0]=4 7184 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [0,0,0,0,0,1|3,0,0]=4 7185 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [0,0,0,0,0,1|3,0,0]=4 7186 B13R1.28 ClCCCCOCc1cccnn1 34a_100000210776_100016990269 [0,0,0,0,0,1|3,0,0]=4 7187 B13R1.28 ClCCCCOCc1cccnn1 7a_100000210776_100016990269 [0,0,0,0,0,1|3,0,0]=4 7188 B13R1.28 ClCCCCOCc1ccncc1 7a_100000210776_100015193705 [0,0,0,0,0,1|3,0,0]=4 7189 B13R1.28 ClCCCCOCc1cnccn1 34a_100000210776_100016995436 [0,0,0,0,0,1|3,0,0]=4 7190 B13R1.28 ClCCCCOCc1cnccn1 7a_100000210776_100016995436 [0,0,0,0,0,1|3,0,0]=4 7191 B13R1.28 ClCCCCOCc1ncccn1 34a_100000210776_100000703007 [0,0,0,0,0,1|3,0,0]=4 7192 B13R1.28 ClCCCCOCc1ncccn1 7a_100000210776_100000703007 [0,0,0,0,0,1|3,0,0]=4 7193 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,0,0,0,0,1|3,0,0]=4 7194 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [0,0,0,0,0,1|3,0,0]=4 7195 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [0,0,0,0,0,1|3,0,0]=4 7196 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [0,0,0,0,0,1|3,0,0]=4 7197 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [0,0,0,0,0,1|3,0,0]=4 7198 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [0,0,0,0,0,1|3,0,0]=4 7199 B13R1.28 FCCCCCOc1ccncc1 34a_100000212176_100000729378 [0,0,0,0,0,1|3,0,0]=4 7200 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [0,0,0,0,0,1|3,0,0]=4 7201 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [0,0,0,0,0,1|3,0,0]=4 7202 B13R1.28 FCCCCCSc1ccccn1 62a_100000729378_100011216584 [0,0,0,0,0,1|3,0,0]=4 7203 B13R1.28 FCCCCCSc1ccccn1 62a_100011216584_100000729378 [0,0,0,0,0,1|3,0,0]=4 7204 B13R1.28 FCCCCCSc1cccnc1 62a_100000210063_100000729378 [0,0,0,0,0,1|3,0,0]=4 7205 B13R1.28 FCCCCCSc1cccnc1 62a_100000729378_100000210063 [0,0,0,0,0,1|3,0,0]=4 7206 B13R1.28 FCCCCCSc1cccnn1 62a_100000729378_100016991348 [0,0,0,0,0,1|3,0,0]=4 7207 B13R1.28 FCCCCCSc1cccnn1 62a_100016991348_100000729378 [0,0,0,0,0,1|3,0,0]=4 7208 B13R1.28 FCCCCCSc1ccncc1 62a_100000728582_100000729378 [0,0,0,0,0,1|3,0,0]=4 7209 B13R1.28 FCCCCCSc1ccncc1 62a_100000729378_100000728582 [0,0,0,0,0,1|3,0,0]=4 7210 B13R1.28 FCCCCCSc1ccncn1 62a_100000703185_100000729378 [0,0,0,0,0,1|3,0,0]=4 7211 B13R1.28 FCCCCCSc1ccncn1 62a_100000729378_100000703185 [0,0,0,0,0,1|3,0,0]=4 7212 B13R1.28 FCCCCCSc1cnccn1 62a_100000211759_100000729378 [0,0,0,0,0,1|3,0,0]=4 7213 B13R1.28 FCCCCCSc1cnccn1 62a_100000729378_100000211759 [0,0,0,0,0,1|3,0,0]=4 7214 B13R1.28 FCCCCCSc1ncccn1 62a_100000211032_100000729378 [0,0,0,0,0,1|3,0,0]=4 7215 B13R1.28 FCCCCCSc1ncccn1 62a_100000729378_100000211032 [0,0,0,0,0,1|3,0,0]=4 7216 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [0,0,0,0,0,1|3,0,0]=4 7217 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [0,0,0,0,0,1|3,0,0]=4 7218 B13R1.28 FCCCCNCc1cccnn1 2230a_100159270163_100000729493 [0,0,0,0,0,1|3,0,0]=4 7219 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [0,0,0,0,0,1|3,0,0]=4 7220 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [0,0,0,0,0,1|3,0,0]=4 7221 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [0,0,0,0,0,1|3,0,0]=4 7222 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [0,0,0,0,0,1|3,0,0]=4 7223 B13R1.28 FCCCCOCc1ccccn1 34a_100011995726_100000721315 [0,0,0,0,0,1|3,0,0]=4 7224 B13R1.28 FCCCCOCc1ccccn1 7a_100011995726_100000721315 [0,0,0,0,0,1|3,0,0]=4 7225 B13R1.28 FCCCCOCc1cccnc1 34a_100011995726_100000733263 [0,0,0,0,0,1|3,0,0]=4 7226 B13R1.28 FCCCCOCc1cccnc1 7a_100011995726_100000741622 [0,0,0,0,0,1|3,0,0]=4 7227 B13R1.28 FCCCCOCc1cccnn1 34a_100011995726_100016990269 [0,0,0,0,0,1|3,0,0]=4 7228 B13R1.28 FCCCCOCc1cccnn1 7a_100011995726_100016990269 [0,0,0,0,0,1|3,0,0]=4 7229 B13R1.28 FCCCCOCc1ccncc1 7a_100011995726_100015193705 [0,0,0,0,0,1|3,0,0]=4 7230 B13R1.28 FCCCCOCc1cnccn1 34a_100011995726_100016995436 [0,0,0,0,0,1|3,0,0]=4 7231 B13R1.28 FCCCCOCc1cnccn1 7a_100011995726_100016995436 [0,0,0,0,0,1|3,0,0]=4 7232 B13R1.28 FCCCCOCc1ncccn1 34a_100011995726_100000703007 [0,0,0,0,0,1|3,0,0]=4 7233 B13R1.28 FCCCCOCc1ncccn1 7a_100011995726_100000703007 [0,0,0,0,0,1|3,0,0]=4 7234 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [0,0,0,0,0,1|3,0,0]=4 7235 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [0,0,0,0,0,1|3,0,0]=4 7236 B13R1.28 FCCCCSCc1ccccn1 62a_100000721315_100000729493 [0,0,0,0,0,1|3,0,0]=4 7237 B13R1.28 FCCCCSCc1ccccn1 62a_100000729493_100000721315 [0,0,0,0,0,1|3,0,0]=4 7238 B13R1.28 FCCCCSCc1cccnc1 62a_100000729493_100000741622 [0,0,0,0,0,1|3,0,0]=4 7239 B13R1.28 FCCCCSCc1cccnc1 62a_100000741622_100000729493 [0,0,0,0,0,1|3,0,0]=4 7240 B13R1.28 FCCCCSCc1cccnn1 62a_100000729493_100016990269 [0,0,0,0,0,1|3,0,0]=4 7241 B13R1.28 FCCCCSCc1cccnn1 62a_100016990269_100000729493 [0,0,0,0,0,1|3,0,0]=4 7242 B13R1.28 FCCCCSCc1ccncc1 62a_100000729493_100015193705 [0,0,0,0,0,1|3,0,0]=4 7243 B13R1.28 FCCCCSCc1ccncc1 62a_100015193705_100000729493 [0,0,0,0,0,1|3,0,0]=4 7244 B13R1.28 FCCCCSCc1cnccn1 62a_100000729493_100016995436 [0,0,0,0,0,1|3,0,0]=4 7245 B13R1.28 FCCCCSCc1cnccn1 62a_100016995436_100000729493 [0,0,0,0,0,1|3,0,0]=4 7246 B13R1.28 FCCCCSCc1ncccn1 62a_100000703007_100000729493 [0,0,0,0,0,1|3,0,0]=4 7247 B13R1.28 FCCCCSCc1ncccn1 62a_100000729493_100000703007 [0,0,0,0,0,1|3,0,0]=4 7248 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [0,0,0,0,0,1|3,0,0]=4 7249 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [0,0,0,0,0,1|3,0,0]=4 7250 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [0,0,0,0,0,1|3,0,0]=4 7251 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [0,0,0,0,0,1|3,0,0]=4 7252 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [0,0,0,0,0,1|3,0,0]=4 7253 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [0,0,0,0,0,1|3,0,0]=4 7254 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [0,0,0,0,0,1|3,0,0]=4 7255 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [0,0,0,0,0,1|3,0,0]=4 7256 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,0,0,0,0,1|3,0,0]=4 7257 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,0,0,0,0,1|3,0,0]=4 7258 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,0,0,0,0,1|3,0,0]=4 7259 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [0,0,0,0,0,1|3,0,0]=4 7260 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,0,0,0,0,1|3,0,0]=4 7261 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [0,0,0,0,0,1|3,0,0]=4 7262 B13R1.28 FCCCOCCc1cnccn1 34a_100011349526_100011934791 [0,0,0,0,0,1|3,0,0]=4 7263 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [0,0,0,0,0,1|3,0,0]=4 7264 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [0,0,0,0,0,1|3,0,0]=4 7265 B13R1.28 FCCCSCCc1ccccn1 62a_100011934791_100015183660 [0,0,0,0,0,1|3,0,0]=4 7266 B13R1.28 FCCCSCCc1ccccn1 62a_100015183660_100011934791 [0,0,0,0,0,1|3,0,0]=4 7267 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [0,0,0,0,0,1|3,0,0]=4 7268 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [0,0,0,0,0,1|3,0,0]=4 7269 B13R1.28 FCCCSCCc1ccncc1 62a_100000723409_100011934791 [0,0,0,0,0,1|3,0,0]=4 7270 B13R1.28 FCCCSCCc1ccncc1 62a_100011934791_100000723409 [0,0,0,0,0,1|3,0,0]=4 7271 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,0,0,0,0,1|3,0,0]=4 7272 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,0,0,0,0,1|3,0,0]=4 7273 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,0,0,0,0,1|3,0,0]=4 7274 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,0,0,0,0,1|3,0,0]=4 7275 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,0,0,0,0,1|3,0,0]=4 7276 B13R1.28 FCCNCCCc1ccncc1 2230a_100011275580_100011217306 [0,0,0,0,0,1|3,0,0]=4 7277 B13R1.28 FCCOCCCC1=CCC=CC1 34a_100020667889_100011217306 [0,0,0,0,0,1|3,0,0]=4 7278 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,0,0,0,0,1|3,0,0]=4 7279 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,0,0,0,0,1|3,0,0]=4 7280 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [0,0,0,0,0,1|3,0,0]=4 7281 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,0,0,0,0,1|3,0,0]=4 7282 B13R1.28 FCCOCCCc1ccncc1 34a_100000210659_100011217306 [0,0,0,0,0,1|3,0,0]=4 7283 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,0,0,0,0,1|3,0,0]=4 7284 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,0,0,0,0,1|3,0,0]=4 7285 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,0,0,0,0,1|3,0,0]=4 7286 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,0,0,0,0,1|3,0,0]=4 7287 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,0,0,0,0,1|3,0,0]=4 7288 B13R1.28 FCOCCCCc1ccccn1 34a_100012186994_100015361967 [0,0,0,0,0,1|3,0,0]=4 7289 B13R1.28 FCOCCCCc1cccnc1 34a_100012039607_100015361967 [0,0,0,0,0,1|3,0,0]=4 7290 B13R1.28 FCOCCCCc1cccnc1 7a_100012039607_100015361967 [0,0,0,0,0,1|3,0,0]=4 7291 B13R1.28 FCOCCCCc1ccncc1 34a_100011787716_100015361967 [0,0,0,0,0,1|3,0,0]=4 7292 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,0,0,0,0,1|3,0,0]=4 7293 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,0,0,0,0,1|3,0,0]=4 7294 B13R1.28 FCSCCCCc1ccncc1 62a_100015361967_100020630000 [0,0,0,0,0,1|3,0,0]=4 7295 B13R1.28 FCSCCCCc1ccncc1 62a_100020630000_100015361967 [0,0,0,0,0,1|3,0,0]=4 7296 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [0,0,0,0,0,1|3,0,0]=4 7297 B13R1.28 ICCCCOCc1ccccn1 34a_200012148704_100000721315 [0,0,0,0,0,1|3,0,0]=4 7298 B13R1.28 ICCCCOCc1cccnc1 34a_200012148704_100000733263 [0,0,0,0,0,1|3,0,0]=4 7299 B13R1.28 ICCCCOCc1cccnn1 34a_200012148704_100016990269 [0,0,0,0,0,1|3,0,0]=4 7300 B13R1.28 ICCCCOCc1cnccn1 34a_200012148704_100016995436 [0,0,0,0,0,1|3,0,0]=4 7301 B13R1.28 ICCCCOCc1ncccn1 34a_200012148704_100000703007 [0,0,0,0,0,1|3,0,0]=4 7302 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [0,0,0,0,0,1|3,0,0]=4 7303 B13R1.28 NCCCCOCc1ccccn1 34a_100000750430_100000721315 [0,0,0,0,0,1|3,0,0]=4 7304 B13R1.28 NCCCCOCc1cccnc1 34a_100000750430_100000733263 [0,0,0,0,0,1|3,0,0]=4 7305 B13R1.28 NCCCCOCc1cccnn1 34a_100000750430_100016990269 [0,0,0,0,0,1|3,0,0]=4 7306 B13R1.28 NCCCCOCc1cnccn1 34a_100000750430_100016995436 [0,0,0,0,0,1|3,0,0]=4 7307 B13R1.28 NCCCCOCc1ncccn1 34a_100000750430_100000703007 [0,0,0,0,0,1|3,0,0]=4 7308 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,0,0,0,0,1|3,0,0]=4 7309 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,0,0,0,0,1|3,0,0]=4 7310 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [0,0,0,0,0,1|3,0,0]=4 7311 B13R1.28 OCCCCCNc1cccnn1 27a_100000762737_100016991348 [0,0,0,0,0,1|3,0,0]=4 7312 B13R1.28 OCCCCCNc1ccncn1 27a_100000762737_100000703185 [0,0,0,0,0,1|3,0,0]=4 7313 B13R1.28 OCCCCCNc1cnccn1 27a_100000762737_100000211759 [0,0,0,0,0,1|3,0,0]=4 7314 B13R1.28 OCCCCCNc1ncccn1 27a_100000762737_100000211032 [0,0,0,0,0,1|3,0,0]=4 7315 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [0,0,0,0,0,1|3,0,0]=4 7316 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [0,0,0,0,0,1|3,0,0]=4 7317 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [0,0,0,0,0,1|3,0,0]=4 7318 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [0,0,0,0,0,1|3,0,0]=4 7319 B13R1.28 OCCCCCOc1ccncc1 34a_100000212176_100000746330 [0,0,0,0,0,1|3,0,0]=4 7320 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [0,0,0,0,0,1|3,0,0]=4 7321 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [0,0,0,0,0,1|3,0,0]=4 7322 B13R1.28 OCCCCCSc1ccccn1 62a_100000746330_100011216584 [0,0,0,0,0,1|3,0,0]=4 7323 B13R1.28 OCCCCCSc1ccccn1 62a_100011216584_100000746330 [0,0,0,0,0,1|3,0,0]=4 7324 B13R1.28 OCCCCCSc1cccnc1 62a_100000210063_100000746330 [0,0,0,0,0,1|3,0,0]=4 7325 B13R1.28 OCCCCCSc1cccnc1 62a_100000746330_100000210063 [0,0,0,0,0,1|3,0,0]=4 7326 B13R1.28 OCCCCCSc1cccnn1 62a_100000746330_100016991348 [0,0,0,0,0,1|3,0,0]=4 7327 B13R1.28 OCCCCCSc1cccnn1 62a_100016991348_100000746330 [0,0,0,0,0,1|3,0,0]=4 7328 B13R1.28 OCCCCCSc1ccncc1 62a_100000728582_100000746330 [0,0,0,0,0,1|3,0,0]=4 7329 B13R1.28 OCCCCCSc1ccncc1 62a_100000746330_100000728582 [0,0,0,0,0,1|3,0,0]=4 7330 B13R1.28 OCCCCCSc1ccncn1 62a_100000703185_100000746330 [0,0,0,0,0,1|3,0,0]=4 7331 B13R1.28 OCCCCCSc1ccncn1 62a_100000746330_100000703185 [0,0,0,0,0,1|3,0,0]=4 7332 B13R1.28 OCCCCCSc1cnccn1 62a_100000211759_100000746330 [0,0,0,0,0,1|3,0,0]=4 7333 B13R1.28 OCCCCCSc1cnccn1 62a_100000746330_100000211759 [0,0,0,0,0,1|3,0,0]=4 7334 B13R1.28 OCCCCCSc1ncccn1 62a_100000211032_100000746330 [0,0,0,0,0,1|3,0,0]=4 7335 B13R1.28 OCCCCCSc1ncccn1 62a_100000746330_100000211032 [0,0,0,0,0,1|3,0,0]=4 7336 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [0,0,0,0,0,1|3,0,0]=4 7337 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [0,0,0,0,0,1|3,0,0]=4 7338 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [0,0,0,0,0,1|3,0,0]=4 7339 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [0,0,0,0,0,1|3,0,0]=4 7340 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [0,0,0,0,0,1|3,0,0]=4 7341 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [0,0,0,0,0,1|3,0,0]=4 7342 B13R1.28 OCCCCNCc1ccccn1 207a_100000750430_100000209966 [0,0,0,0,0,1|3,0,0]=4 7343 B13R1.28 OCCCCNCc1ccccn1 2230a_100000750430_100000721315 [0,0,0,0,0,1|3,0,0]=4 7344 B13R1.28 OCCCCNCc1ccccn1 270004a_100000750430_100000209966 [0,0,0,0,0,1|3,0,0]=4 7345 B13R1.28 OCCCCNCc1ccccn1 34a_100000750430_100000721315 [0,0,0,0,0,1|3,0,0]=4 7346 B13R1.28 OCCCCNCc1cccnc1 207a_100000750430_100000209961 [0,0,0,0,0,1|3,0,0]=4 7347 B13R1.28 OCCCCNCc1cccnc1 2230a_100000750430_100000741622 [0,0,0,0,0,1|3,0,0]=4 7348 B13R1.28 OCCCCNCc1cccnc1 270004a_100000750430_100000209961 [0,0,0,0,0,1|3,0,0]=4 7349 B13R1.28 OCCCCNCc1cccnc1 34a_100000750430_100000733263 [0,0,0,0,0,1|3,0,0]=4 7350 B13R1.28 OCCCCNCc1cccnn1 2230a_100000750430_100016990269 [0,0,0,0,0,1|3,0,0]=4 7351 B13R1.28 OCCCCNCc1cccnn1 2230a_100159270163_100000210776 [0,0,0,0,0,1|3,0,0]=4 7352 B13R1.28 OCCCCNCc1cccnn1 34a_100000750430_100016990269 [0,0,0,0,0,1|3,0,0]=4 7353 B13R1.28 OCCCCNCc1ccncc1 207a_100000750430_100000186114 [0,0,0,0,0,1|3,0,0]=4 7354 B13R1.28 OCCCCNCc1ccncc1 2230a_100000750430_100015193705 [0,0,0,0,0,1|3,0,0]=4 7355 B13R1.28 OCCCCNCc1cnccn1 2230a_100000750430_100016995436 [0,0,0,0,0,1|3,0,0]=4 7356 B13R1.28 OCCCCNCc1cnccn1 270004a_100000750430_100000749867 [0,0,0,0,0,1|3,0,0]=4 7357 B13R1.28 OCCCCNCc1cnccn1 34a_100000750430_100016995436 [0,0,0,0,0,1|3,0,0]=4 7358 B13R1.28 OCCCCNCc1ncccn1 2230a_100000750430_100000703007 [0,0,0,0,0,1|3,0,0]=4 7359 B13R1.28 OCCCCNCc1ncccn1 270004a_100000750430_100011532527 [0,0,0,0,0,1|3,0,0]=4 7360 B13R1.28 OCCCCNCc1ncccn1 34a_100000750430_100000703007 [0,0,0,0,0,1|3,0,0]=4 7361 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [0,0,0,0,0,1|3,0,0]=4 7362 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [0,0,0,0,0,1|3,0,0]=4 7363 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [0,0,0,0,0,1|3,0,0]=4 7364 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [0,0,0,0,0,1|3,0,0]=4 7365 B13R1.28 OCCCCSCc1ccccn1 62a_100000210776_100000721315 [0,0,0,0,0,1|3,0,0]=4 7366 B13R1.28 OCCCCSCc1ccccn1 62a_100000721315_100000210776 [0,0,0,0,0,1|3,0,0]=4 7367 B13R1.28 OCCCCSCc1cccnc1 62a_100000210776_100000741622 [0,0,0,0,0,1|3,0,0]=4 7368 B13R1.28 OCCCCSCc1cccnc1 62a_100000741622_100000210776 [0,0,0,0,0,1|3,0,0]=4 7369 B13R1.28 OCCCCSCc1cccnn1 62a_100000210776_100016990269 [0,0,0,0,0,1|3,0,0]=4 7370 B13R1.28 OCCCCSCc1cccnn1 62a_100016990269_100000210776 [0,0,0,0,0,1|3,0,0]=4 7371 B13R1.28 OCCCCSCc1ccncc1 62a_100000210776_100015193705 [0,0,0,0,0,1|3,0,0]=4 7372 B13R1.28 OCCCCSCc1ccncc1 62a_100015193705_100000210776 [0,0,0,0,0,1|3,0,0]=4 7373 B13R1.28 OCCCCSCc1cnccn1 62a_100000210776_100016995436 [0,0,0,0,0,1|3,0,0]=4 7374 B13R1.28 OCCCCSCc1cnccn1 62a_100016995436_100000210776 [0,0,0,0,0,1|3,0,0]=4 7375 B13R1.28 OCCCCSCc1ncccn1 62a_100000210776_100000703007 [0,0,0,0,0,1|3,0,0]=4 7376 B13R1.28 OCCCCSCc1ncccn1 62a_100000703007_100000210776 [0,0,0,0,0,1|3,0,0]=4 7377 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [0,0,0,0,0,1|3,0,0]=4 7378 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [0,0,0,0,0,1|3,0,0]=4 7379 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [0,0,0,0,0,1|3,0,0]=4 7380 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,0,0,0,0,1|3,0,0]=4 7381 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,0,0,0,0,1|3,0,0]=4 7382 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [0,0,0,0,0,1|3,0,0]=4 7383 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,0,0,0,0,1|3,0,0]=4 7384 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [0,0,0,0,0,1|3,0,0]=4 7385 B13R1.28 OCCCOCCc1cnccn1 34a_100011349526_100000230001 [0,0,0,0,0,1|3,0,0]=4 7386 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [0,0,0,0,0,1|3,0,0]=4 7387 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [0,0,0,0,0,1|3,0,0]=4 7388 B13R1.28 OCCCSCCc1ccccn1 62a_100011215043_100015183660 [0,0,0,0,0,1|3,0,0]=4 7389 B13R1.28 OCCCSCCc1ccccn1 62a_100015183660_100011215043 [0,0,0,0,0,1|3,0,0]=4 7390 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [0,0,0,0,0,1|3,0,0]=4 7391 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [0,0,0,0,0,1|3,0,0]=4 7392 B13R1.28 OCCCSCCc1ccncc1 62a_100000723409_100011215043 [0,0,0,0,0,1|3,0,0]=4 7393 B13R1.28 OCCCSCCc1ccncc1 62a_100011215043_100000723409 [0,0,0,0,0,1|3,0,0]=4 7394 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,0,0,0,0,1|3,0,0]=4 7395 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,0,0,0,0,1|3,0,0]=4 7396 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,0,0,0,0,1|3,0,0]=4 7397 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,0,0,0,0,1|3,0,0]=4 7398 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,0,0,0,0,1|3,0,0]=4 7399 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,0,0,0,0,1|3,0,0]=4 7400 B13R1.28 OCCNCCCc1ccncc1 2230a_100011275580_100000211926 [0,0,0,0,0,1|3,0,0]=4 7401 B13R1.28 OCCOCCCC1=CCC=CC1 34a_100020667889_100000211926 [0,0,0,0,0,1|3,0,0]=4 7402 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,0,0,0,0,1|3,0,0]=4 7403 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,0,0,0,0,1|3,0,0]=4 7404 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [0,0,0,0,0,1|3,0,0]=4 7405 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,0,0,0,0,1|3,0,0]=4 7406 B13R1.28 OCCOCCCc1ccncc1 34a_100000210659_100000211926 [0,0,0,0,0,1|3,0,0]=4 7407 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,0,0,0,0,1|3,0,0]=4 7408 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,0,0,0,0,1|3,0,0]=4 7409 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,0,0,0,0,1|2,0,0]=3 7410 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,0,0,0,0,1|2,0,0]=3 7411 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,0,0,0,0,1|3,0,0]=4 7412 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,0,0,0,0,1|3,0,0]=4 7413 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,0,0,0,0,1|2,0,0]=3 7414 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,0,0,0,0,1|2,0,0]=3 7415 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [0,0,0,0,0,1|3,0,0]=4 7416 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [0,0,0,0,0,1|3,0,0]=4 7417 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,0,0,0,0,1|3,0,0]=4 7418 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,0,0,0,0,1|3,0,0]=4 7419 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,0,0,0,0,1|3,0,0]=4 7420 B13R1.28 [13CH3]OCCSCCc1ccccn1 34a_100011362645_200025704644 [0,0,0,0,0,1|3,0,0]=4 7421 B13R1.28 [13CH3]OCCSCCc1ccccn1 7a_100011362645_200025704644 [0,0,0,0,0,1|3,0,0]=4 7422 B13R1.28 [13CH3]OCCSCCc1ccncc1 34a_200011193335_200025704644 [0,0,0,0,0,1|3,0,0]=4 7423 B13R1.28 [13CH3]OCCSCCc1ccncc1 7a_200011193335_200025704644 [0,0,0,0,0,1|3,0,0]=4 7424 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,0,0,0,0,1|2,0,0]=3 7425 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,0,0,0,0,1|2,0,0]=3 7426 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [0,0,0,0,0,1|3,0,0]=4 7427 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [0,0,0,0,0,1|3,0,0]=4 7428 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,0,0,0,0,1|3,0,0]=4 7429 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,0,0,0,0,1|3,0,0]=4 7430 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,0,1,0,0,0|2,0,0]=4 7431 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,1,0,0,0|1,0,1]=4 7432 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,1,0,0,0|1,0,1]=4 7433 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,1,0,0,0|1,0,1]=4 7434 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,1,0,0,0|1,0,1]=4 7435 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,1,0,0,0|0,0,1]=3 7436 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,1,0,0,0|0,0,1]=3 7437 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,1,0,0,0|0,0,1]=3 7438 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,1,0,0,0|1,0,1]=4 7439 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,1,0,0,0|1,0,1]=4 7440 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,1,0,0,0|1,0,1]=4 7441 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,1,0,0,0|1,0,1]=4 7442 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,1,0,0,0|1,0,1]=4 7443 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,1,0,0,0|1,0,1]=4 7444 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,1,0,0,0|1,0,1]=4 7445 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,1,0,0,0|1,0,1]=4 7446 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,1,0,0,0|1,0,1]=4 7447 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,1,0,0,0|1,0,1]=4 7448 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,1,0,0,0|1,0,1]=4 7449 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,1,0,0,0|1,0,1]=4 7450 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,1,0,0,0|1,0,1]=4 7451 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,1,0,0,0|1,0,1]=4 7452 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,1,0,0,0|1,0,1]=4 7453 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,1,0,0,0|0,1,1]=4 7454 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,1,0,0,0|0,1,1]=4 7455 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,1,0,0,0|1,0,1]=4 7456 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,1,0,0,0|1,0,1]=4 7457 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,1,0,0,0|1,0,1]=4 7458 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,1,0,0,0|1,0,1]=4 7459 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,1,0,0,0|1,0,1]=4 7460 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,1,0,0,0|1,0,1]=4 7461 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,1,0,0,0|1,0,1]=4 7462 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,1,0,0,0|1,0,1]=4 7463 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,1,0,0,0|1,0,1]=4 7464 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,1,0,0,0|1,0,1]=4 7465 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,1,0,0,0|1,0,1]=4 7466 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,1,0,0,0|1,0,1]=4 7467 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,0,1,0,0,0|0,0,2]=4 7468 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,0,1,0,0,0|0,0,2]=4 7469 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [1,0,1,0,0,0|2,0,0]=4 7470 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [1,0,1,0,0,0|2,0,0]=4 7471 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [1,0,1,0,0,0|2,0,0]=4 7472 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [1,0,1,0,0,0|2,0,0]=4 7473 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,0,1,0,0,0|0,0,2]=4 7474 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,0,1,0,0,0|1,0,1]=4 7475 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,0,1,0,0,0|1,0,1]=4 7476 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,0,1,0,0,0|1,0,1]=4 7477 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,0,1,0,0,0|0,0,1]=3 7478 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [1,0,1,0,0,0|1,0,1]=4 7479 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [1,0,1,0,0,0|1,0,1]=4 7480 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [1,0,1,0,0,0|1,0,1]=4 7481 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,0,1,0,0,0|1,0,1]=4 7482 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,0,1,0,0,0|1,0,1]=4 7483 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [1,0,1,0,0,0|1,0,1]=4 7484 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [1,0,1,0,0,0|1,0,1]=4 7485 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [1,0,1,0,0,0|1,0,1]=4 7486 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [1,0,1,0,0,0|1,0,1]=4 7487 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [1,0,1,0,0,0|1,0,1]=4 7488 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [1,0,1,0,0,0|0,0,2]=4 7489 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [1,0,1,0,0,0|0,0,2]=4 7490 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [1,0,1,0,0,0|0,0,2]=4 7491 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [1,0,1,0,0,0|0,0,2]=4 7492 B10R1.21 CCCC=Cc1ccco1 271570a_100016258520_100009814098 [2,0,0,0,0,0|0,0,2]=4 7493 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [2,0,0,0,0,0|1,0,0]=3 7494 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [2,0,0,0,0,0|1,0,0]=3 7495 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [2,0,0,0,0,0|1,1,0]=4 7496 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [2,0,0,0,0,0|1,1,0]=4 7497 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [2,0,0,0,0,0|2,0,0]=4 7498 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [2,0,0,0,0,0|2,0,0]=4 7499 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [2,0,0,0,0,0|2,0,0]=4 7500 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [2,0,0,0,0,0|2,0,0]=4 7501 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [2,0,0,0,0,0|1,0,0]=3 7502 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [2,0,0,0,0,0|1,0,0]=3 7503 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [2,0,0,0,0,0|1,0,0]=3 7504 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [2,0,0,0,0,0|1,0,0]=3 7505 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [2,0,0,0,0,0|1,1,0]=4 7506 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [2,0,0,0,0,0|1,1,0]=4 7507 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [2,0,0,0,0,0|1,1,0]=4 7508 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [2,0,0,0,0,0|2,0,0]=4 7509 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [2,0,0,0,0,0|2,0,0]=4 7510 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [2,0,0,0,0,0|2,0,0]=4 7511 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [2,0,0,0,0,0|1,0,0]=3 7512 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [2,0,0,0,0,0|1,1,0]=4 7513 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [2,0,0,0,0,0|2,0,0]=4 7514 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [2,0,0,0,0,0|2,0,0]=4 7515 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [2,0,0,0,0,0|2,0,0]=4 7516 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [2,0,0,0,0,0|2,0,0]=4 7517 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [2,0,0,0,0,0|2,0,0]=4 7518 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [2,0,0,0,0,0|1,0,0]=3 7519 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [2,0,0,0,0,0|1,0,0]=3 7520 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [2,0,0,0,0,0|1,1,0]=4 7521 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [2,0,0,0,0,0|1,1,0]=4 7522 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [2,0,0,0,0,0|1,1,0]=4 7523 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [2,0,0,0,0,0|1,1,0]=4 7524 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [2,0,0,0,0,0|1,1,0]=4 7525 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [2,0,0,0,0,0|1,1,0]=4 7526 B10R1.21 CCOCSc1ccco1 62a_100000739092_100009814098 [2,0,0,0,0,0|2,0,0]=4 7527 B10R1.21 CCOCSc1ccco1 62a_100009814098_100000739092 [2,0,0,0,0,0|2,0,0]=4 7528 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [2,0,0,0,0,0|1,1,0]=4 7529 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [2,0,0,0,0,0|1,1,0]=4 7530 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [2,0,0,0,0,0|1,1,0]=4 7531 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [2,0,0,0,0,0|1,1,0]=4 7532 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [2,0,0,0,0,0|1,1,0]=4 7533 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [2,0,0,0,0,0|1,1,0]=4 7534 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [2,0,0,0,0,0|1,1,0]=4 7535 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [2,0,0,0,0,0|1,1,0]=4 7536 B10R1.21 COCCSc1ccco1 62a_100000233755_100009814098 [2,0,0,0,0,0|2,0,0]=4 7537 B10R1.21 COCCSc1ccco1 62a_100009814098_100000233755 [2,0,0,0,0,0|2,0,0]=4 7538 B10R1.21 COCNCc1ccco1 2230a_100000185738_100000766300 [2,0,0,0,0,0|2,0,0]=4 7539 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [2,0,0,0,0,0|1,1,0]=4 7540 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [2,0,0,0,0,0|1,1,0]=4 7541 B10R1.21 CSCCSc1ccco1 62a_100000212216_100009814098 [2,0,0,0,0,0|2,0,0]=4 7542 B10R1.21 CSCCSc1ccco1 62a_100009814098_100000751147 [2,0,0,0,0,0|2,0,0]=4 7543 B10R1.21 CSCNCc1ccco1 2230a_100000185738_100011218213 [2,0,0,0,0,0|2,0,0]=4 7544 B10R1.21 CSCNCc1ccco1 34a_100000185738_100011218213 [2,0,0,0,0,0|2,0,0]=4 7545 B10R1.21 CSCOCc1ccco1 34a_100000210059_100011218213 [2,0,0,0,0,0|2,0,0]=4 7546 B10R1.21 FCCCSc1ccco1 62a_100009814098_100011934791 [2,0,0,0,0,0|2,0,0]=4 7547 B10R1.21 FCCCSc1ccco1 62a_100011934791_100009814098 [2,0,0,0,0,0|2,0,0]=4 7548 B10R1.21 FCCNCc1ccco1 2230a_100000185738_100011217306 [2,0,0,0,0,0|2,0,0]=4 7549 B10R1.21 FCCNCc1ccco1 34a_100000185738_100011217306 [2,0,0,0,0,0|2,0,0]=4 7550 B10R1.21 FCCOCc1ccco1 34a_100000210059_100011217306 [2,0,0,0,0,0|2,0,0]=4 7551 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [2,0,0,0,0,0|2,0,0]=4 7552 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [2,0,0,0,0,0|2,0,0]=4 7553 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [2,0,0,0,0,0|2,0,0]=4 7554 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [2,0,0,0,0,0|2,0,0]=4 7555 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [2,0,0,0,0,0|2,0,0]=4 7556 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [2,0,0,0,0,0|2,0,0]=4 7557 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [2,0,0,0,0,0|2,0,0]=4 7558 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [2,0,0,0,0,0|2,0,0]=4 7559 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [2,0,0,0,0,0|1,1,0]=4 7560 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [2,0,0,0,0,0|1,1,0]=4 7561 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [2,0,0,0,0,0|1,1,0]=4 7562 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [2,0,0,0,0,0|1,1,0]=4 7563 B12R0.1 C/C=C/C=C/COCC(C)CCC 34a_100016283227_100011216630 [0,1,1,0,0,0|2,0,0]=4 7564 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,1,0,0,0|1,0,1]=4 7565 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,1,1,0,0,0|2,0,0]=4 7566 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,1,1,0,0,0|2,0,0]=4 7567 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,1,1,0,0,0|2,0,0]=4 7568 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,1,1,0,0,0|1,0,1]=4 7569 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,1,1,0,0,0|1,0,1]=4 7570 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,1,1,0,0,0|1,0,1]=4 7571 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,1,1,0,0,0|2,0,0]=4 7572 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,1,1,0,0,0|2,0,0]=4 7573 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,1,1,0,0,0|2,0,0]=4 7574 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,1,1,0,0,0|2,0,0]=4 7575 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,1,1,0,0,0|2,0,0]=4 7576 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,1,1,0,0,0|2,0,0]=4 7577 B12R0.5 C/C=C/C=C/COCCCCCC 34a_100016283227_100000210314 [0,1,1,0,0,0|1,0,0]=3 7578 B12R0.5 C/C=C/C=C/COCCCCCF 34a_100016283227_100000729378 [0,1,1,0,0,0|2,0,0]=4 7579 B12R0.5 C/C=C/C=C/COCCCCCO 34a_100016283227_100000746330 [0,1,1,0,0,0|2,0,0]=4 7580 B12R0.5 C/C=C/C=C/COCCCCOC 34a_100016283227_100000755781 [0,1,1,0,0,0|2,0,0]=4 7581 B12R0.5 C/C=C/C=C/COCCCOCC 34a_100016283227_100012232248 [0,1,1,0,0,0|2,0,0]=4 7582 B12R0.5 C/C=C/C=C/COCCOCCC 34a_100016283227_100011215938 [0,1,1,0,0,0|2,0,0]=4 7583 B12R0.5 C/C=C/C=C/COCOCCCC 34a_100016283227_100011995733 [0,1,1,0,0,0|2,0,0]=4 7584 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,1,1,0,0,0|0,0,2]=4 7585 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,1,1,0,0,0|0,0,2]=4 7586 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,1,1,0,0,0|0,0,2]=4 7587 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,1,1,0,0,0|0,0,2]=4 7588 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,1,1,0,0,0|0,0,2]=4 7589 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,1,1,0,0,0|0,0,2]=4 7590 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [0,1,1,0,0,0|0,0,2]=4 7591 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [0,1,1,0,0,0|0,0,2]=4 7592 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,1,1,0,0,0|0,0,2]=4 7593 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,1,1,0,0,0|0,0,2]=4 7594 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,1,1,0,0,0|0,0,2]=4 7595 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,1,1,0,0,0|0,0,2]=4 7596 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,1,1,0,0,0|0,0,2]=4 7597 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,1,1,0,0,0|0,0,2]=4 7598 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,1,1,0,0,0|0,0,2]=4 7599 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,1,1,0,0,0|0,0,2]=4 7600 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,1,1,0,0,0|0,0,2]=4 7601 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,1,1,0,0,0|0,0,2]=4 7602 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,1,1,0,0,0|0,0,2]=4 7603 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,1,1,0,0,0|0,0,2]=4 7604 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,1,1,0,0,0|0,0,2]=4 7605 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,1,1,0,0,0|0,0,2]=4 7606 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,1,1,0,0,0|0,0,2]=4 7607 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,1,1,0,0,0|0,0,2]=4 7608 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,1,1,0,0,0|0,0,2]=4 7609 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,1,1,0,0,0|0,0,2]=4 7610 B12R0.5 CCCCCC/C=C/C=C/COC 34a_200028454808_200000210301 [0,1,1,0,0,0|0,0,2]=4 7611 B12R0.5 CCCCCC/C=C/C=C/COC 7a_200028454808_200000210301 [0,1,1,0,0,0|0,0,2]=4 7612 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 34a_200028454808_200025704644 [0,1,1,0,0,0|0,0,2]=4 7613 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 7a_200028454808_200025704644 [0,1,1,0,0,0|0,0,2]=4 7614 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,1,1,0,0,0|0,0,2]=4 7615 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,1,1,0,0,0|0,0,2]=4 7616 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,1,1,0,0,0|0,0,2]=4 7617 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,1,1,0,0,0|0,0,2]=4 7618 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,1,1,0,0,0|1,0,1]=4 7619 B12R0.206 C/C=C/C=C/COC(C)CCCC 34a_100016283227_200011215066 [0,1,1,0,0,0|2,0,0]=4 7620 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,1,0,0,0|1,0,1]=4 7621 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,1,1,0,0,0|1,0,0]=3 7622 B12R0.206 C=CC=CC(=O)CCCCCCF 1458a_100016291481_100015922095 [0,1,1,0,0,0|2,0,0]=4 7623 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,1,1,0,0,0|2,0,0]=4 7624 B12R0.206 C=CC=CC(=O)CCOCCCC 1458a_100016291481_100000743108 [0,1,1,0,0,0|2,0,0]=4 7625 B12R0.206 C=CC=CC(=O)NCCCCCC 1626a_100000210581_100016291481 [0,1,1,0,0,0|2,0,0]=4 7626 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,1,0,0,0|1,0,1]=4 7627 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,1,0,0,0|1,0,1]=4 7628 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,1,1,0,0,0|1,0,1]=4 7629 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,1,1,0,0,0|1,0,1]=4 7630 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,1,1,0,0,0|1,0,1]=4 7631 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,1,1,0,0,0|1,0,1]=4 7632 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,1,1,0,0,0|1,0,1]=4 7633 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,1,1,0,0,0|1,0,1]=4 7634 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,1,1,0,0,0|1,0,1]=4 7635 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,1,1,0,0,0|1,0,1]=4 7636 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,1,0,0,0|0,0,2]=4 7637 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,1,0,0,0|0,0,2]=4 7638 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,1,0,0,0|0,0,2]=4 7639 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,1,0,0,0|1,0,1]=4 7640 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,1,0,0,0|1,0,1]=4 7641 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,1,1,0,0,0|1,0,1]=4 7642 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,1,1,0,0,0|2,0,0]=4 7643 B12R0.234 C/C=C/C=C/COCCCC(C)C 34a_100016283227_100011214892 [0,1,1,0,0,0|2,0,0]=4 7644 B12R0.234 C/C=C/C=C/COCCCC(C)O 34a_100016283227_200000718107 [0,1,1,0,0,0|2,0,0]=4 7645 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,1,0,0,0|0,0,2]=4 7646 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,1,0,0,0|0,0,2]=4 7647 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,1,0,0,0|0,0,2]=4 7648 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,1,0,0,0|0,0,2]=4 7649 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,1,0,0,0|0,0,2]=4 7650 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,1,0,0,0|0,0,2]=4 7651 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,1,0,0,0|0,0,2]=4 7652 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,1,0,0,0|0,0,2]=4 7653 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,1,0,0,0|1,0,1]=4 7654 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,1,0,0,0|1,0,1]=4 7655 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,1,0,0,0|1,0,1]=4 7656 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,1,1,0,0,0|1,0,1]=4 7657 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,1,1,0,0,0|1,0,1]=4 7658 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,1,1,0,0,0|1,0,1]=4 7659 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,1,1,0,0,0|1,0,1]=4 7660 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,1,1,0,0,0|1,0,1]=4 7661 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,1,1,0,0,0|1,0,1]=4 7662 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,1,1,0,0,0|1,0,1]=4 7663 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,1,1,0,0,0|1,0,1]=4 7664 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,1,1,0,0,0|1,0,1]=4 7665 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,1,1,0,0,0|1,0,1]=4 7666 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,1,1,0,0,0|1,0,1]=4 7667 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,1,1,0,0,0|1,0,1]=4 7668 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,1,1,0,0,0|1,0,1]=4 7669 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,1,1,0,0,0|1,0,1]=4 7670 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,1,0,0,0|0,0,2]=4 7671 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,1,1,0,0,0|0,0,2]=4 7672 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,1,0,0,0|1,0,1]=4 7673 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,1,0,0,0|1,0,1]=4 7674 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,1,0,0,0|2,0,0]=4 7675 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,1,0,0,0|2,0,0]=4 7676 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,1,0,0,0|2,0,0]=4 7677 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,1,0,0,0|0,0,2]=4 7678 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,1,1,0,0,0|0,0,2]=4 7679 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,1,1,0,0,0|0,0,2]=4 7680 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,1,1,0,0,0|0,0,2]=4 7681 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,1,1,0,0,0|0,0,2]=4 7682 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,1,1,0,0,0|1,0,1]=4 7683 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,1,1,0,0,0|0,0,2]=4 7684 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,1,1,0,0,0|1,0,1]=4 7685 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,1,1,0,0,0|2,0,0]=4 7686 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,1,1,0,0,0|2,0,0]=4 7687 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,1,1,0,0,0|0,0,2]=4 7688 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,1,1,0,0,0|0,0,2]=4 7689 B12R0.101 C=COC(=O)CNC(C)CCCC 2230a_100000126638_100000036128 [0,1,1,0,0,0|2,0,0]=4 7690 B12R0.101 C=COC(=O)COC(C)CCCC 34a_100000687866_100000036128 [0,1,1,0,0,0|2,0,0]=4 7691 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_100000036128_200011215066 [0,1,1,0,0,0|2,0,0]=4 7692 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_200011215066_100000036128 [0,1,1,0,0,0|2,0,0]=4 7693 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,1,1,0,0,0|0,0,2]=4 7694 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,1,1,0,0,0|0,0,2]=4 7695 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,1,1,0,0,0|0,0,2]=4 7696 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,1,1,0,0,0|1,0,1]=4 7697 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,1,1,0,0,0|1,0,1]=4 7698 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,1,1,0,0,0|1,0,1]=4 7699 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,1,1,0,0,0|1,0,1]=4 7700 B12R0.239 C=COC(=O)CN(C)CCCCC 2230a_100000223495_100000036128 [0,1,1,0,0,0|2,0,0]=4 7701 B12R0.239 C=COC(=O)CN(C)CCCCC 269982a_100000223495_100000036128 [0,1,1,0,0,0|2,0,0]=4 7702 B12R0.276 C=COC(=O)CNCCC(C)CC 2230a_100020591266_100000036128 [0,1,1,0,0,0|2,0,0]=4 7703 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,1,1,0,0,0|0,0,2]=4 7704 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,1,1,0,0,0|0,0,2]=4 7705 B12R0.277 C=COC(=O)CNCCCC(C)C 2230a_200000737386_100000036128 [0,1,1,0,0,0|2,0,0]=4 7706 B12R0.277 C=COC(=O)CNCCCC(C)C 34a_200000737386_100000036128 [0,1,1,0,0,0|2,0,0]=4 7707 B12R0.277 C=COC(=O)COCCCC(C)C 34a_100000210774_100000036128 [0,1,1,0,0,0|2,0,0]=4 7708 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100000036128_100011214892 [0,1,1,0,0,0|2,0,0]=4 7709 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100011214892_100000036128 [0,1,1,0,0,0|2,0,0]=4 7710 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_100000036128_200000718107 [0,1,1,0,0,0|2,0,0]=4 7711 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_200000718107_100000036128 [0,1,1,0,0,0|2,0,0]=4 7712 B12R0.277 CC(C)CCCCCC(=O)C=CBr 1458a_100016273825_100000210682 [0,1,1,0,0,0|1,0,1]=4 7713 B12R0.277 CC(C)CCCCCC(=O)C=CCl 1458a_200016279998_100000210682 [0,1,1,0,0,0|1,0,1]=4 7714 B12R0.277 CC(C)CCCCCC(=O)C=CI 1458a_100016256311_100000210682 [0,1,1,0,0,0|1,0,1]=4 7715 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,1,1,0,0,0|0,0,2]=4 7716 B12R0.285 C=COC(=O)COCC(C)CCC 34a_100000688023_100000036128 [0,1,1,0,0,0|2,0,0]=4 7717 B12R0.285 C=COC(=O)COC[C@@H](N)CCC 34a_100000732646_100000036128 [0,1,1,0,0,0|2,0,0]=4 7718 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100000036128_100011216630 [0,1,1,0,0,0|2,0,0]=4 7719 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100011216630_100000036128 [0,1,1,0,0,0|2,0,0]=4 7720 B12R0.57 C=CC(C=C)OCCCCCCC 34a_100000033096_100000210614 [0,1,1,0,0,0|1,0,1]=4 7721 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [1,1,0,0,0,0|0,1,0]=3 7722 B12R1.7 CCCCCCc1nc(no1)C 270196a_100000212224_100102632555 [1,1,0,0,0,0|2,0,0]=4 7723 B12R1.7 CCCCCSc1cc(cs1)C 62a_100000210326_100009876951 [1,1,0,0,0,0|1,1,0]=4 7724 B12R1.7 CCCCCSc1cc(cs1)C 62a_100009876951_100000210326 [1,1,0,0,0,0|1,1,0]=4 7725 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100000210326_100010197418 [1,1,0,0,0,0|1,1,0]=4 7726 B12R1.7 CCCCCSc1ccc(s1)Br 62a_100010197418_100000210326 [1,1,0,0,0,0|1,1,0]=4 7727 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000031368_100000210326 [1,1,0,0,0,0|1,1,0]=4 7728 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000210326_100000031368 [1,1,0,0,0,0|1,1,0]=4 7729 B12R1.7 CCCCNCc1cc(c[nH]1)Br 270004a_100000102301_100000720742 [1,1,0,0,0,0|2,0,0]=4 7730 B12R1.7 CCCCNCc1cc(co1)Br 270004a_100000102301_100000747035 [1,1,0,0,0,0|1,0,0]=3 7731 B12R1.7 CCCCNCc1cc(cs1)Br 207a_100000102301_100000211722 [1,1,0,0,0,0|1,1,0]=4 7732 B12R1.7 CCCCNCc1cc(cs1)Br 2230a_100000102301_100000746031 [1,1,0,0,0,0|1,1,0]=4 7733 B12R1.7 CCCCNCc1cc(cs1)Br 2230a_100000741024_100000210211 [1,1,0,0,0,0|1,1,0]=4 7734 B12R1.7 CCCCNCc1cc(cs1)Br 270004a_100000102301_100000211722 [1,1,0,0,0,0|1,1,0]=4 7735 B12R1.7 CCCCNCc1cc(cs1)Br 34a_100000741024_100000210210 [1,1,0,0,0,0|1,1,0]=4 7736 B12R1.7 CCCCNCc1cc(cs1)Br 7a_106832991798_100000746031 [1,1,0,0,0,0|1,1,0]=4 7737 B12R1.7 CCCCNCc1cc(cs1)C 207a_100000102301_100102525248 [1,1,0,0,0,0|1,1,0]=4 7738 B12R1.7 CCCCNCc1cc(cs1)C 2230a_100015204214_100000210211 [1,1,0,0,0,0|1,1,0]=4 7739 B12R1.7 CCCCNCc1cc(cs1)C 270004a_100000102301_100102525248 [1,1,0,0,0,0|1,1,0]=4 7740 B12R1.7 CCCCNCc1cc(cs1)C 34a_100015204214_100000210210 [1,1,0,0,0,0|1,1,0]=4 7741 B12R1.7 CCCCNCc1cc(cs1)Cl 207a_100000102301_100000102487 [1,1,0,0,0,0|1,1,0]=4 7742 B12R1.7 CCCCNCc1cc(cs1)Cl 270004a_100000102301_100000102487 [1,1,0,0,0,0|1,1,0]=4 7743 B12R1.7 CCCCNCc1cc(cs1)I 207a_100000102301_100010179861 [1,1,0,0,0,0|1,1,0]=4 7744 B12R1.7 CCCCNCc1cc(no1)Br 2230a_100015193020_100000210211 [1,1,0,0,0,0|2,0,0]=4 7745 B12R1.7 CCCCNCc1cc(no1)Br 270004a_100000102301_100009819588 [1,1,0,0,0,0|2,0,0]=4 7746 B12R1.7 CCCCNCc1cc(no1)Br 34a_100015193020_100000210210 [1,1,0,0,0,0|2,0,0]=4 7747 B12R1.7 CCCCNCc1cc(no1)Br 7a_106832991798_100000709089 [1,1,0,0,0,0|2,0,0]=4 7748 B12R1.7 CCCCNCc1cc(no1)C 207a_100000102301_100011794430 [1,1,0,0,0,0|2,0,0]=4 7749 B12R1.7 CCCCNCc1cc(no1)C 2230a_100000102301_100000707947 [1,1,0,0,0,0|2,0,0]=4 7750 B12R1.7 CCCCNCc1cc(no1)C 2230a_100000745748_100000210211 [1,1,0,0,0,0|2,0,0]=4 7751 B12R1.7 CCCCNCc1cc(no1)C 270004a_100000102301_100011794430 [1,1,0,0,0,0|2,0,0]=4 7752 B12R1.7 CCCCNCc1cc(no1)C 34a_100000745748_100000210210 [1,1,0,0,0,0|2,0,0]=4 7753 B12R1.7 CCCCNCc1cc(no1)C 7a_106832991798_100000707947 [1,1,0,0,0,0|2,0,0]=4 7754 B12R1.7 CCCCNCc1ccc(o1)Br 207a_100000102301_100000185145 [1,1,0,0,0,0|1,0,0]=3 7755 B12R1.7 CCCCNCc1ccc(o1)Br 270004a_100000102301_100000185145 [1,1,0,0,0,0|1,0,0]=3 7756 B12R1.7 CCCCNCc1ccc(o1)Br 34a_100000708654_100000210210 [1,1,0,0,0,0|1,0,0]=3 7757 B12R1.7 CCCCNCc1ccc(o1)C 207a_100000102301_100000183696 [1,1,0,0,0,0|1,0,0]=3 7758 B12R1.7 CCCCNCc1ccc(o1)C 270004a_100000102301_100000183696 [1,1,0,0,0,0|1,0,0]=3 7759 B12R1.7 CCCCNCc1ccc(o1)C 34a_100011194323_100000210210 [1,1,0,0,0,0|1,0,0]=3 7760 B12R1.7 CCCCNCc1ccc(o1)Cl 207a_100000102301_100000188459 [1,1,0,0,0,0|1,0,0]=3 7761 B12R1.7 CCCCNCc1ccc(o1)Cl 270004a_100000102301_100000188459 [1,1,0,0,0,0|1,0,0]=3 7762 B12R1.7 CCCCNCc1ccc(o1)I 207a_100000102301_100000186757 [1,1,0,0,0,0|1,0,0]=3 7763 B12R1.7 CCCCNCc1ccc(s1)Br 207a_100000102301_100000179771 [1,1,0,0,0,0|1,1,0]=4 7764 B12R1.7 CCCCNCc1ccc(s1)Br 2230a_100000102301_100000708592 [1,1,0,0,0,0|1,1,0]=4 7765 B12R1.7 CCCCNCc1ccc(s1)Br 270004a_100000102301_100000179771 [1,1,0,0,0,0|1,1,0]=4 7766 B12R1.7 CCCCNCc1ccc(s1)Br 7a_106832991798_100000708592 [1,1,0,0,0,0|1,1,0]=4 7767 B12R1.7 CCCCNCc1ccc(s1)C 207a_100000102301_100000211121 [1,1,0,0,0,0|1,1,0]=4 7768 B12R1.7 CCCCNCc1ccc(s1)C 2230a_100000238518_100000210211 [1,1,0,0,0,0|1,1,0]=4 7769 B12R1.7 CCCCNCc1ccc(s1)C 270004a_100000102301_100000211121 [1,1,0,0,0,0|1,1,0]=4 7770 B12R1.7 CCCCNCc1ccc(s1)Cl 207a_100000102301_100000242774 [1,1,0,0,0,0|1,1,0]=4 7771 B12R1.7 CCCCNCc1ccc(s1)Cl 2230a_100000102301_100000185097 [1,1,0,0,0,0|1,1,0]=4 7772 B12R1.7 CCCCNCc1ccc(s1)Cl 2230a_100000737310_100000210211 [1,1,0,0,0,0|1,1,0]=4 7773 B12R1.7 CCCCNCc1ccc(s1)Cl 270004a_100000102301_100000242774 [1,1,0,0,0,0|1,1,0]=4 7774 B12R1.7 CCCCNCc1ccc(s1)Cl 7a_106832991798_100000185097 [1,1,0,0,0,0|1,1,0]=4 7775 B12R1.7 CCCCNCc1cnc(o1)C 207a_100000102301_100000084308 [1,1,0,0,0,0|2,0,0]=4 7776 B12R1.7 CCCCNCc1cnc(o1)C 270004a_100000102301_100000084308 [1,1,0,0,0,0|2,0,0]=4 7777 B12R1.7 CCCCNCc1ncc(o1)C 2230a_100138411809_100000210211 [1,1,0,0,0,0|2,0,0]=4 7778 B12R1.7 CCCCNCc1ncc(o1)C 34a_100138411809_100000210210 [1,1,0,0,0,0|2,0,0]=4 7779 B12R1.7 CCCCOCc1cc(cs1)Br 34a_100000210227_100000746031 [1,1,0,0,0,0|1,1,0]=4 7780 B12R1.7 CCCCOCc1cc(cs1)Br 34a_100000238369_100000210210 [1,1,0,0,0,0|1,1,0]=4 7781 B12R1.7 CCCCOCc1cc(cs1)Br 7a_100000210227_100000746031 [1,1,0,0,0,0|1,1,0]=4 7782 B12R1.7 CCCCOCc1cc(cs1)Br 7a_100000238369_100000210211 [1,1,0,0,0,0|1,1,0]=4 7783 B12R1.7 CCCCOCc1cc(cs1)C 34a_200000068372_100000210210 [1,1,0,0,0,0|1,1,0]=4 7784 B12R1.7 CCCCOCc1cc(cs1)C 7a_200000068372_100000210211 [1,1,0,0,0,0|1,1,0]=4 7785 B12R1.7 CCCCOCc1cc(no1)Br 34a_100009816691_100000210210 [1,1,0,0,0,0|2,0,0]=4 7786 B12R1.7 CCCCOCc1cc(no1)Br 7a_100000210227_100000709089 [1,1,0,0,0,0|2,0,0]=4 7787 B12R1.7 CCCCOCc1cc(no1)C 34a_100000210227_100000707947 [1,1,0,0,0,0|2,0,0]=4 7788 B12R1.7 CCCCOCc1cc(no1)C 34a_100000684692_100000210210 [1,1,0,0,0,0|2,0,0]=4 7789 B12R1.7 CCCCOCc1cc(no1)C 7a_100000210227_100000707947 [1,1,0,0,0,0|2,0,0]=4 7790 B12R1.7 CCCCOCc1ccc(o1)Br 34a_100000246276_100000210210 [1,1,0,0,0,0|1,0,0]=3 7791 B12R1.7 CCCCOCc1ccc(o1)Br 7a_100000246276_100000210211 [1,1,0,0,0,0|1,0,0]=3 7792 B12R1.7 CCCCOCc1ccc(o1)C 34a_100011232665_100000210210 [1,1,0,0,0,0|1,0,0]=3 7793 B12R1.7 CCCCOCc1ccc(o1)C 7a_100011232665_100000210211 [1,1,0,0,0,0|1,0,0]=3 7794 B12R1.7 CCCCOCc1ccc(s1)Br 34a_100000210227_100000708592 [1,1,0,0,0,0|1,1,0]=4 7795 B12R1.7 CCCCOCc1ccc(s1)Br 7a_100000210227_100000708592 [1,1,0,0,0,0|1,1,0]=4 7796 B12R1.7 CCCCOCc1ccc(s1)C 34a_100000238367_100000210210 [1,1,0,0,0,0|1,1,0]=4 7797 B12R1.7 CCCCOCc1ccc(s1)Cl 34a_100000210227_100000185097 [1,1,0,0,0,0|1,1,0]=4 7798 B12R1.7 CCCCOCc1ccc(s1)Cl 7a_100000210227_100000185097 [1,1,0,0,0,0|1,1,0]=4 7799 B12R1.7 CCCCSCc1cc(cs1)Br 62a_100000210211_100000746031 [1,1,0,0,0,0|1,1,0]=4 7800 B12R1.7 CCCCSCc1cc(cs1)Br 62a_100000746031_100000210210 [1,1,0,0,0,0|1,1,0]=4 7801 B12R1.7 CCCCSCc1cc(no1)Br 62a_100000210211_100000709089 [1,1,0,0,0,0|2,0,0]=4 7802 B12R1.7 CCCCSCc1cc(no1)Br 62a_100000709089_100000210210 [1,1,0,0,0,0|2,0,0]=4 7803 B12R1.7 CCCCSCc1cc(no1)C 62a_100000210211_100000707947 [1,1,0,0,0,0|2,0,0]=4 7804 B12R1.7 CCCCSCc1cc(no1)C 62a_100000707947_100000210210 [1,1,0,0,0,0|2,0,0]=4 7805 B12R1.7 CCCCSCc1ccc(s1)Br 62a_100000210211_100000708592 [1,1,0,0,0,0|1,1,0]=4 7806 B12R1.7 CCCCSCc1ccc(s1)Br 62a_100000708592_100000210210 [1,1,0,0,0,0|1,1,0]=4 7807 B12R1.7 CCCCSCc1ccc(s1)Cl 62a_100000185097_100000210210 [1,1,0,0,0,0|1,1,0]=4 7808 B12R1.7 CCCCSCc1ccc(s1)Cl 62a_100000210211_100000185097 [1,1,0,0,0,0|1,1,0]=4 7809 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [1,1,0,0,0,0|1,0,0]=3 7810 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [1,1,0,0,0,0|1,0,0]=3 7811 B12R1.7 CCCNCCc1ccc(s1)Br 2230a_100000217605_100000210303 [1,1,0,0,0,0|1,1,0]=4 7812 B12R1.7 CCCOCCc1cc(no1)Br 34a_100009816916_100000210303 [1,1,0,0,0,0|2,0,0]=4 7813 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [1,1,0,0,0,0|1,0,0]=3 7814 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [1,1,0,0,0,0|1,0,0]=3 7815 B12R1.7 COCCNCc1cc(co1)Br 270004a_100000209980_100000747035 [1,1,0,0,0,0|2,0,0]=4 7816 B12R1.7 COCCNCc1ccc(o1)Br 207a_100000209980_100000185145 [1,1,0,0,0,0|2,0,0]=4 7817 B12R1.7 COCCNCc1ccc(o1)Br 270004a_100000209980_100000185145 [1,1,0,0,0,0|2,0,0]=4 7818 B12R1.7 COCCNCc1ccc(o1)Br 34a_100000708654_100011201679 [1,1,0,0,0,0|2,0,0]=4 7819 B12R1.7 COCCNCc1ccc(o1)C 207a_100000209980_100000183696 [1,1,0,0,0,0|2,0,0]=4 7820 B12R1.7 COCCNCc1ccc(o1)C 270004a_100000209980_100000183696 [1,1,0,0,0,0|2,0,0]=4 7821 B12R1.7 COCCNCc1ccc(o1)C 34a_100011194323_100011201679 [1,1,0,0,0,0|2,0,0]=4 7822 B12R1.7 COCCNCc1ccc(o1)Cl 207a_100000209980_100000188459 [1,1,0,0,0,0|2,0,0]=4 7823 B12R1.7 COCCNCc1ccc(o1)Cl 270004a_100000209980_100000188459 [1,1,0,0,0,0|2,0,0]=4 7824 B12R1.7 COCCNCc1ccc(o1)I 207a_100000209980_100000186757 [1,1,0,0,0,0|2,0,0]=4 7825 B12R1.7 COCCOCc1ccc(o1)Br 34a_100000246276_100011201679 [1,1,0,0,0,0|2,0,0]=4 7826 B12R1.7 COCCOCc1ccc(o1)Br 7a_100000246276_100000233755 [1,1,0,0,0,0|2,0,0]=4 7827 B12R1.7 COCCOCc1ccc(o1)C 34a_100011232665_100011201679 [1,1,0,0,0,0|2,0,0]=4 7828 B12R1.7 COCCOCc1ccc(o1)C 7a_100011232665_100000233755 [1,1,0,0,0,0|2,0,0]=4 7829 B12R1.7 COCNCCc1ccc(o1)C 2230a_100000739271_100000766300 [1,1,0,0,0,0|2,0,0]=4 7830 B12R1.7 CSCCNCc1cc(co1)Br 270004a_100020590264_100000747035 [1,1,0,0,0,0|2,0,0]=4 7831 B12R1.7 CSCCNCc1ccc(o1)Br 207a_100020590264_100000185145 [1,1,0,0,0,0|2,0,0]=4 7832 B12R1.7 CSCCNCc1ccc(o1)Br 270004a_100020590264_100000185145 [1,1,0,0,0,0|2,0,0]=4 7833 B12R1.7 CSCCNCc1ccc(o1)Br 34a_100000708654_100000212216 [1,1,0,0,0,0|2,0,0]=4 7834 B12R1.7 CSCCNCc1ccc(o1)C 207a_100020590264_100000183696 [1,1,0,0,0,0|2,0,0]=4 7835 B12R1.7 CSCCNCc1ccc(o1)C 270004a_100020590264_100000183696 [1,1,0,0,0,0|2,0,0]=4 7836 B12R1.7 CSCCNCc1ccc(o1)C 34a_100011194323_100000212216 [1,1,0,0,0,0|2,0,0]=4 7837 B12R1.7 CSCCNCc1ccc(o1)Cl 207a_100020590264_100000188459 [1,1,0,0,0,0|2,0,0]=4 7838 B12R1.7 CSCCNCc1ccc(o1)Cl 270004a_100020590264_100000188459 [1,1,0,0,0,0|2,0,0]=4 7839 B12R1.7 CSCCNCc1ccc(o1)I 207a_100020590264_100000186757 [1,1,0,0,0,0|2,0,0]=4 7840 B12R1.7 CSCCOCc1ccc(o1)Br 34a_100000246276_100000212216 [1,1,0,0,0,0|2,0,0]=4 7841 B12R1.7 CSCCOCc1ccc(o1)Br 7a_100000246276_100000212216 [1,1,0,0,0,0|2,0,0]=4 7842 B12R1.7 CSCCOCc1ccc(o1)C 34a_100011232665_100000212216 [1,1,0,0,0,0|2,0,0]=4 7843 B12R1.7 CSCCOCc1ccc(o1)C 7a_100011232665_100000212216 [1,1,0,0,0,0|2,0,0]=4 7844 B12R1.7 CSCNCCc1ccc(o1)C 2230a_100000739271_100011218213 [1,1,0,0,0,0|2,0,0]=4 7845 B12R1.7 CSCNCCc1ccc(o1)C 34a_100000739271_100011218213 [1,1,0,0,0,0|2,0,0]=4 7846 B12R1.7 CSCOCCc1ccc(o1)C 34a_100012161071_100011218213 [1,1,0,0,0,0|2,0,0]=4 7847 B12R1.7 Cc1ccc(o1)CCNCCF 2230a_100000739271_100011217306 [1,1,0,0,0,0|2,0,0]=4 7848 B12R1.7 Cc1ccc(o1)CCNCCF 34a_100000739271_100011217306 [1,1,0,0,0,0|2,0,0]=4 7849 B12R1.7 Cc1ccc(o1)CCNCCO 2230a_100000739271_100000211926 [1,1,0,0,0,0|2,0,0]=4 7850 B12R1.7 Cc1ccc(o1)CCNCCO 34a_100000739271_100000211926 [1,1,0,0,0,0|2,0,0]=4 7851 B12R1.7 Cc1ccc(o1)CCOCCF 34a_100012161071_100011217306 [1,1,0,0,0,0|2,0,0]=4 7852 B12R1.7 Cc1ccc(o1)CCOCCF 7a_100012161071_100011217306 [1,1,0,0,0,0|2,0,0]=4 7853 B12R1.7 Cc1ccc(o1)CCOCCO 34a_100012161071_100000211926 [1,1,0,0,0,0|2,0,0]=4 7854 B12R1.7 Cc1ccc(o1)CCOCCO 7a_100012161071_100000211926 [1,1,0,0,0,0|2,0,0]=4 7855 B12R1.7 Cc1ccc(o1)CNCCCF 207a_100015189416_100000183696 [1,1,0,0,0,0|2,0,0]=4 7856 B12R1.7 Cc1ccc(o1)CNCCCF 270004a_100015189416_100000183696 [1,1,0,0,0,0|2,0,0]=4 7857 B12R1.7 Cc1ccc(o1)CNCCCF 34a_100011194323_100011934791 [1,1,0,0,0,0|2,0,0]=4 7858 B12R1.7 Cc1ccc(o1)CNCCCO 207a_100000182051_100000183696 [1,1,0,0,0,0|2,0,0]=4 7859 B12R1.7 Cc1ccc(o1)CNCCCO 270004a_100000182051_100000183696 [1,1,0,0,0,0|2,0,0]=4 7860 B12R1.7 Cc1ccc(o1)CNCCCO 34a_100011194323_100000230001 [1,1,0,0,0,0|2,0,0]=4 7861 B12R1.7 Cc1ccc(o1)COCCCF 34a_100011232665_100011934791 [1,1,0,0,0,0|2,0,0]=4 7862 B12R1.7 Cc1ccc(o1)COCCCF 7a_100011232665_100011934791 [1,1,0,0,0,0|2,0,0]=4 7863 B12R1.7 Cc1ccc(o1)COCCCO 34a_100011232665_100000230001 [1,1,0,0,0,0|2,0,0]=4 7864 B12R1.7 Cc1ccc(o1)COCCCO 7a_100011232665_100011215043 [1,1,0,0,0,0|2,0,0]=4 7865 B12R1.7 FCCCNCc1cc(co1)Br 270004a_100015189416_100000747035 [1,1,0,0,0,0|2,0,0]=4 7866 B12R1.7 FCCCNCc1ccc(o1)Br 207a_100015189416_100000185145 [1,1,0,0,0,0|2,0,0]=4 7867 B12R1.7 FCCCNCc1ccc(o1)Br 270004a_100015189416_100000185145 [1,1,0,0,0,0|2,0,0]=4 7868 B12R1.7 FCCCNCc1ccc(o1)Br 34a_100000708654_100011934791 [1,1,0,0,0,0|2,0,0]=4 7869 B12R1.7 FCCCNCc1ccc(o1)Cl 207a_100015189416_100000188459 [1,1,0,0,0,0|2,0,0]=4 7870 B12R1.7 FCCCNCc1ccc(o1)Cl 270004a_100015189416_100000188459 [1,1,0,0,0,0|2,0,0]=4 7871 B12R1.7 FCCCNCc1ccc(o1)I 207a_100015189416_100000186757 [1,1,0,0,0,0|2,0,0]=4 7872 B12R1.7 FCCCOCc1ccc(o1)Br 34a_100000246276_100011934791 [1,1,0,0,0,0|2,0,0]=4 7873 B12R1.7 FCCCOCc1ccc(o1)Br 7a_100000246276_100011934791 [1,1,0,0,0,0|2,0,0]=4 7874 B12R1.7 OCCCNCc1cc(co1)Br 270004a_100000182051_100000747035 [1,1,0,0,0,0|2,0,0]=4 7875 B12R1.7 OCCCNCc1ccc(o1)Br 207a_100000182051_100000185145 [1,1,0,0,0,0|2,0,0]=4 7876 B12R1.7 OCCCNCc1ccc(o1)Br 270004a_100000182051_100000185145 [1,1,0,0,0,0|2,0,0]=4 7877 B12R1.7 OCCCNCc1ccc(o1)Br 34a_100000708654_100000230001 [1,1,0,0,0,0|2,0,0]=4 7878 B12R1.7 OCCCNCc1ccc(o1)Cl 207a_100000182051_100000188459 [1,1,0,0,0,0|2,0,0]=4 7879 B12R1.7 OCCCNCc1ccc(o1)Cl 270004a_100000182051_100000188459 [1,1,0,0,0,0|2,0,0]=4 7880 B12R1.7 OCCCNCc1ccc(o1)I 207a_100000182051_100000186757 [1,1,0,0,0,0|2,0,0]=4 7881 B12R1.7 OCCCOCc1ccc(o1)Br 34a_100000246276_100000230001 [1,1,0,0,0,0|2,0,0]=4 7882 B12R1.7 OCCCOCc1ccc(o1)Br 7a_100000246276_100011215043 [1,1,0,0,0,0|2,0,0]=4 7883 B12R1.35 CCCCNC(C)c1ccc[nH]1 269862a_100000102301_100000183661 [1,1,0,0,0,0|2,0,0]=4 7884 B12R1.35 CCCCNC(C)c1cccs1 2230a_100000703493_100000210211 [1,1,0,0,0,0|1,1,0]=4 7885 B12R1.35 CCCCNC(C)c1cccs1 269862a_100000102301_100000185736 [1,1,0,0,0,0|1,1,0]=4 7886 B12R1.35 CCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210211 [1,1,0,0,0,0|1,0,0]=3 7887 B12R1.35 CCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210210 [1,1,0,0,0,0|1,0,0]=3 7888 B12R1.35 CCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210211 [1,1,0,0,0,0|1,0,0]=3 7889 B12R1.35 CCCCO[C@H](C)c1cccs1 7a_100000750433_100000210211 [1,1,0,0,0,0|1,1,0]=4 7890 B12R1.35 CCCNCC(O)c1ccco1 2230a_100000738650_100000210303 [1,1,0,0,0,0|1,0,0]=3 7891 B12R1.35 CCCOCC(N)c1cccs1 34a_100102422791_100000210303 [1,1,0,0,0,0|1,1,0]=4 7892 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [1,1,0,0,0,0|1,0,1]=4 7893 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [1,1,0,0,0,0|1,0,1]=4 7894 B12R1.35 COCCN[C@H](C)c1ccco1 2230a_100160469435_100011201679 [1,1,0,0,0,0|2,0,0]=4 7895 B12R1.35 COCCO[C@@H](C)c1ccco1 34a_100000755270_100011201679 [1,1,0,0,0,0|2,0,0]=4 7896 B12R1.35 COCCO[C@@H](C)c1ccco1 7a_100000755270_100000233755 [1,1,0,0,0,0|2,0,0]=4 7897 B12R1.35 COCNCC(O)c1ccco1 2230a_100000738650_100000766300 [1,1,0,0,0,0|2,0,0]=4 7898 B12R1.35 CSCCN[C@H](C)c1ccco1 2230a_100160469435_100000751147 [1,1,0,0,0,0|2,0,0]=4 7899 B12R1.35 CSCCO[C@@H](C)c1ccco1 34a_100000755270_100000212216 [1,1,0,0,0,0|2,0,0]=4 7900 B12R1.35 CSCCO[C@@H](C)c1ccco1 7a_100000755270_100000212216 [1,1,0,0,0,0|2,0,0]=4 7901 B12R1.35 CSCNCC(O)c1ccco1 2230a_100000738650_100011218213 [1,1,0,0,0,0|2,0,0]=4 7902 B12R1.35 C[C@@H](NCCCF)c1ccco1 2230a_100160469435_100011934791 [1,1,0,0,0,0|2,0,0]=4 7903 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [1,1,0,0,0,0|2,0,0]=4 7904 B12R1.35 C[C@H](OCCCF)c1ccco1 34a_100000755270_100011934791 [1,1,0,0,0,0|2,0,0]=4 7905 B12R1.35 C[C@H](OCCCF)c1ccco1 7a_100000755270_100011934791 [1,1,0,0,0,0|2,0,0]=4 7906 B12R1.35 C[C@H](OCCCO)c1ccco1 34a_100000755270_100000230001 [1,1,0,0,0,0|2,0,0]=4 7907 B12R1.35 C[C@H](OCCCO)c1ccco1 7a_100000755270_100011215043 [1,1,0,0,0,0|2,0,0]=4 7908 B12R1.35 OC(CNCCF)c1ccco1 2230a_100000738650_100011217306 [1,1,0,0,0,0|2,0,0]=4 7909 B12R1.35 OCCNCC(O)c1ccco1 2230a_100000738650_100000211926 [1,1,0,0,0,0|2,0,0]=4 7910 B12R1.51 CC(CCO)NCc1ccco1 2230a_100000185738_100009893172 [1,1,0,0,0,0|2,0,0]=4 7911 B12R1.51 CC(CCO)NCc1ccco1 34a_100000185738_100009893172 [1,1,0,0,0,0|2,0,0]=4 7912 B12R1.51 CC(CCO)OCc1ccco1 34a_100000210059_100009893172 [1,1,0,0,0,0|2,0,0]=4 7913 B12R1.51 CC(CCc1ccco1)NCF 34a_100000199034_100015361967 [1,1,0,0,0,0|2,0,0]=4 7914 B12R1.51 CCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210303 [1,1,0,0,0,0|1,0,1]=4 7915 B12R1.51 CCCC(=O)CCc1ccco1 1458a_100000185103_100000210303 [1,1,0,0,0,0|0,0,1]=3 7916 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000185280_100000210303 [1,1,0,0,0,0|0,1,1]=4 7917 B12R1.51 CCCC(=O)CCc1cccs1 1458a_100000211992_100000748579 [1,1,0,0,0,0|0,1,1]=4 7918 B12R1.51 CCCC(=O)CSc1ccco1 62a_100000747444_100009814098 [1,1,0,0,0,0|1,0,1]=4 7919 B12R1.51 CCCC(=O)CSc1ccco1 62a_100009814098_100000747444 [1,1,0,0,0,0|1,0,1]=4 7920 B12R1.51 CCCC(=O)NCc1ccco1 11a_100000185738_100000211992 [1,1,0,0,0,0|1,0,1]=4 7921 B12R1.51 CCCC(=O)NCc1ccco1 1626a_100000185738_100000211992 [1,1,0,0,0,0|1,0,1]=4 7922 B12R1.51 CCCC(=O)NCc1ccco1 240690a_100000185738_100000211992 [1,1,0,0,0,0|1,0,1]=4 7923 B12R1.51 CCCC(=O)NCc1ccco1 527a_100000185738_100000211992 [1,1,0,0,0,0|1,0,1]=4 7924 B12R1.51 CCCC(C)CSc1ccco1 62a_100009814098_100011216630 [1,1,0,0,0,0|1,0,0]=3 7925 B12R1.51 CCCC(C)CSc1ccco1 62a_100011216630_100009814098 [1,1,0,0,0,0|1,0,0]=3 7926 B12R1.51 CCCC(C)CSc1cccs1 62a_100011215356_100011216630 [1,1,0,0,0,0|1,1,0]=4 7927 B12R1.51 CCCC(C)CSc1cccs1 62a_100011216630_100011215356 [1,1,0,0,0,0|1,1,0]=4 7928 B12R1.51 CCCC(C)CSc1cnco1 62a_100011216630_100020591547 [1,1,0,0,0,0|2,0,0]=4 7929 B12R1.51 CCCC(C)CSc1cnco1 62a_100020591547_100011216630 [1,1,0,0,0,0|2,0,0]=4 7930 B12R1.51 CCCC(C)CSc1ncco1 62a_100011216630_100011787736 [1,1,0,0,0,0|2,0,0]=4 7931 B12R1.51 CCCC(C)CSc1ncco1 62a_100011787736_100011216630 [1,1,0,0,0,0|2,0,0]=4 7932 B12R1.51 CCCC(C)NCc1ccco1 207a_100000741246_100000186105 [1,1,0,0,0,0|1,0,0]=3 7933 B12R1.51 CCCC(C)NCc1ccco1 2230a_100000185738_100000766640 [1,1,0,0,0,0|1,0,0]=3 7934 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000185738_100000211909 [1,1,0,0,0,0|1,0,0]=3 7935 B12R1.51 CCCC(C)NCc1ccco1 270004a_100000741246_100000186105 [1,1,0,0,0,0|1,0,0]=3 7936 B12R1.51 CCCC(C)NCc1ccco1 34a_100000185738_100000766640 [1,1,0,0,0,0|1,0,0]=3 7937 B12R1.51 CCCC(C)NCc1cccs1 207a_100000741246_100000209959 [1,1,0,0,0,0|1,1,0]=4 7938 B12R1.51 CCCC(C)NCc1cccs1 2230a_100000211653_100000766640 [1,1,0,0,0,0|1,1,0]=4 7939 B12R1.51 CCCC(C)NCc1cccs1 270004a_100000211653_100000211909 [1,1,0,0,0,0|1,1,0]=4 7940 B12R1.51 CCCC(C)NCc1cccs1 270004a_100000741246_100000209959 [1,1,0,0,0,0|1,1,0]=4 7941 B12R1.51 CCCC(C)NCc1cnco1 270004a_100000741246_100000064291 [1,1,0,0,0,0|2,0,0]=4 7942 B12R1.51 CCCC(C)NCc1cnco1 270004a_100020634212_100000211909 [1,1,0,0,0,0|2,0,0]=4 7943 B12R1.51 CCCC(C)NCc1ncco1 2230a_100000741246_103436540062 [1,1,0,0,0,0|2,0,0]=4 7944 B12R1.51 CCCC(C)NCc1ncco1 2230a_100016994969_100000766640 [1,1,0,0,0,0|2,0,0]=4 7945 B12R1.51 CCCC(C)NCc1ncco1 270004a_100000741246_100000064290 [1,1,0,0,0,0|2,0,0]=4 7946 B12R1.51 CCCC(C)OCc1ccco1 34a_100000210059_100000766640 [1,1,0,0,0,0|1,0,0]=3 7947 B12R1.51 CCCC(C)OCc1cccs1 34a_100000211240_100000766640 [1,1,0,0,0,0|1,1,0]=4 7948 B12R1.51 CCCC(C)OCc1ccno1 34a_100000740478_100000766640 [1,1,0,0,0,0|2,0,0]=4 7949 B12R1.51 CCCC(C)OCc1ncco1 34a_100000062594_100000766640 [1,1,0,0,0,0|2,0,0]=4 7950 B12R1.51 CCCC(C)OCc1ncco1 34a_100000764384_103436540062 [1,1,0,0,0,0|2,0,0]=4 7951 B12R1.51 CCCC(C)OCc1ncco1 7a_100000764384_103436540062 [1,1,0,0,0,0|2,0,0]=4 7952 B12R1.51 CCCC(C)SCc1ncco1 62a_100000766640_103436540062 [1,1,0,0,0,0|2,0,0]=4 7953 B12R1.51 CCCC(C)SCc1ncco1 62a_103436540062_100000766640 [1,1,0,0,0,0|2,0,0]=4 7954 B12R1.51 CCCN(C)CCc1cccs1 2230a_100000747261_100000748579 [1,1,0,0,0,0|1,1,0]=4 7955 B12R1.51 CCCN(C)CCc1cccs1 2230a_200000702708_200000210301 [1,1,0,0,0,0|1,1,0]=4 7956 B12R1.51 CCCN(C)CCc1cccs1 269982a_100000747261_100000748579 [1,1,0,0,0,0|1,1,0]=4 7957 B12R1.51 CCCN(C)CCc1cccs1 269982a_200000702708_200000210301 [1,1,0,0,0,0|1,1,0]=4 7958 B12R1.51 CCCN([13CH3])CCc1cccs1 2230a_200000702708_200025704644 [1,1,0,0,0,0|1,1,0]=4 7959 B12R1.51 CCCN([13CH3])CCc1cccs1 269982a_200000702708_200025704644 [1,1,0,0,0,0|1,1,0]=4 7960 B12R1.51 CCNC(=O)CCc1ccco1 11a_100015525214_100000185103 [1,1,0,0,0,0|1,0,1]=4 7961 B12R1.51 CCNC(=O)CCc1ccco1 527a_100015525214_100000185103 [1,1,0,0,0,0|1,0,1]=4 7962 B12R1.51 CCNC(C)CCc1ccco1 2230a_100000199034_100000210202 [1,1,0,0,0,0|1,0,0]=3 7963 B12R1.51 CCNC(C)CCc1ccco1 34a_100000199034_100000210202 [1,1,0,0,0,0|1,0,0]=3 7964 B12R1.51 COCC(C)NCc1ccco1 2230a_100000185738_100000765312 [1,1,0,0,0,0|2,0,0]=4 7965 B12R1.51 COCC(C)NCc1ccco1 270004a_100000185738_100000749346 [1,1,0,0,0,0|2,0,0]=4 7966 B12R1.51 COCC(C)NCc1ccco1 34a_100000185738_100000765312 [1,1,0,0,0,0|2,0,0]=4 7967 B12R1.51 COCC(C)OCc1ccco1 34a_100000210059_100000765312 [1,1,0,0,0,0|2,0,0]=4 7968 B12R1.51 COCC(O)CSc1ccco1 62a_100009814098_100011215053 [1,1,0,0,0,0|2,0,0]=4 7969 B12R1.51 COCC(O)CSc1ccco1 62a_100011215053_100009814098 [1,1,0,0,0,0|2,0,0]=4 7970 B12R1.51 COC[C@@H](C)NCc1ccco1 207a_100000764878_100000186105 [1,1,0,0,0,0|2,0,0]=4 7971 B12R1.51 COC[C@@H](C)NCc1ccco1 270004a_100000764878_100000186105 [1,1,0,0,0,0|2,0,0]=4 7972 B12R1.51 CSCC(C)NCc1ccco1 270004a_100000185738_100011216314 [1,1,0,0,0,0|2,0,0]=4 7973 B12R1.51 C[C@H](CCO)NCc1ccco1 207a_100000706166_100000186105 [1,1,0,0,0,0|2,0,0]=4 7974 B12R1.51 C[C@H](CCO)NCc1ccco1 270004a_100000706166_100000186105 [1,1,0,0,0,0|2,0,0]=4 7975 B12R1.51 O=C(CCF)CCc1ccco1 1458a_100000185103_100011217306 [1,1,0,0,0,0|1,0,1]=4 7976 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [1,1,0,0,0,0|1,0,1]=4 7977 B12R1.53 CC(Cc1ccco1)NCCO 270004a_100000210304_100011216958 [1,1,0,0,0,0|2,0,0]=4 7978 B12R1.53 CC(Cc1ccco1)OCCF 34a_100011803939_100011217306 [1,1,0,0,0,0|2,0,0]=4 7979 B12R1.53 CC(Cc1ccco1)OCCF 7a_100011803939_100011217306 [1,1,0,0,0,0|2,0,0]=4 7980 B12R1.53 CC(Cc1ccco1)OCCO 34a_100011803939_100000211926 [1,1,0,0,0,0|2,0,0]=4 7981 B12R1.53 CC(Cc1ccco1)OCCO 7a_100011803939_100000211926 [1,1,0,0,0,0|2,0,0]=4 7982 B12R1.53 CCCCC(=Cc1ccco1)Br 271570a_206741709834_100009814098 [1,1,0,0,0,0|0,0,2]=4 7983 B12R1.53 CCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210211 [1,1,0,0,0,0|1,0,1]=4 7984 B12R1.53 CCCCC(=O)Cc1ccco1 1458a_100011217309_100000210211 [1,1,0,0,0,0|0,0,1]=3 7985 B12R1.53 CCCCC(=O)Cc1cccs1 1458a_100000210189_100000210211 [1,1,0,0,0,0|0,1,1]=4 7986 B12R1.53 CCCCC(=O)Cc1ncco1 1458a_100000210183_103436540062 [1,1,0,0,0,0|1,0,1]=4 7987 B12R1.53 CCCCC(C)Sc1ccco1 62a_100009814098_200011215066 [1,1,0,0,0,0|1,0,0]=3 7988 B12R1.53 CCCCC(C)Sc1ccco1 62a_200011215066_100009814098 [1,1,0,0,0,0|1,0,0]=3 7989 B12R1.53 CCCCC(C)Sc1cccs1 62a_100011215356_200011215066 [1,1,0,0,0,0|1,1,0]=4 7990 B12R1.53 CCCCC(C)Sc1cccs1 62a_200011215066_100011215356 [1,1,0,0,0,0|1,1,0]=4 7991 B12R1.53 CCCCC(C)Sc1cnco1 62a_100020591547_200011215066 [1,1,0,0,0,0|2,0,0]=4 7992 B12R1.53 CCCCC(C)Sc1cnco1 62a_200011215066_100020591547 [1,1,0,0,0,0|2,0,0]=4 7993 B12R1.53 CCCCC(C)Sc1ncco1 62a_100011787736_200011215066 [1,1,0,0,0,0|2,0,0]=4 7994 B12R1.53 CCCCC(C)Sc1ncco1 62a_200011215066_100011787736 [1,1,0,0,0,0|2,0,0]=4 7995 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100000185268_100000210211 [1,1,0,0,0,0|1,0,0]=3 7996 B12R1.53 CCCCN(C)Cc1ccco1 2230a_100015184542_200000210301 [1,1,0,0,0,0|1,0,0]=3 7997 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100000185268_100000210211 [1,1,0,0,0,0|1,0,0]=3 7998 B12R1.53 CCCCN(C)Cc1ccco1 269982a_100015184542_200000210301 [1,1,0,0,0,0|1,0,0]=3 7999 B12R1.53 CCCCN(C)Cc1ccco1 270004a_100000207549_100000186105 [1,1,0,0,0,0|1,0,0]=3 8000 B12R1.53 CCCCN(C)Cc1cccs1 2230a_100000184426_100000210211 [1,1,0,0,0,0|1,1,0]=4 8001 B12R1.53 CCCCN(C)Cc1cccs1 2230a_200000200673_200000210301 [1,1,0,0,0,0|1,1,0]=4 8002 B12R1.53 CCCCN(C)Cc1cccs1 269982a_100000184426_100000210211 [1,1,0,0,0,0|1,1,0]=4 8003 B12R1.53 CCCCN(C)Cc1cccs1 269982a_200000200673_200000210301 [1,1,0,0,0,0|1,1,0]=4 8004 B12R1.53 CCCCN(C)Cc1cccs1 270004a_100000207549_100000209959 [1,1,0,0,0,0|1,1,0]=4 8005 B12R1.53 CCCCN(C)Cc1cnco1 270004a_100000207549_100000064291 [1,1,0,0,0,0|2,0,0]=4 8006 B12R1.53 CCCCN(C)Cc1ncco1 2230a_100000207549_103436540062 [1,1,0,0,0,0|2,0,0]=4 8007 B12R1.53 CCCCN(C)Cc1ncco1 269982a_100000207549_103436540062 [1,1,0,0,0,0|2,0,0]=4 8008 B12R1.53 CCCCN(C)Cc1ncco1 270004a_100000207549_100000064290 [1,1,0,0,0,0|2,0,0]=4 8009 B12R1.53 CCCCN([13CH3])Cc1ccco1 2230a_100015184542_200025704644 [1,1,0,0,0,0|1,0,0]=3 8010 B12R1.53 CCCCN([13CH3])Cc1ccco1 269982a_100015184542_200025704644 [1,1,0,0,0,0|1,0,0]=3 8011 B12R1.53 CCCCN([13CH3])Cc1cccs1 2230a_200000200673_200025704644 [1,1,0,0,0,0|1,1,0]=4 8012 B12R1.53 CCCCN([13CH3])Cc1cccs1 269982a_200000200673_200025704644 [1,1,0,0,0,0|1,1,0]=4 8013 B12R1.53 CCCNC(=O)Cc1ccco1 11a_100020643023_100011217309 [1,1,0,0,0,0|1,0,1]=4 8014 B12R1.53 CCCNC(=O)Cc1ccco1 527a_100020643023_100011217309 [1,1,0,0,0,0|1,0,1]=4 8015 B12R1.53 CCCNC(C)Cc1ccco1 270004a_100020643023_100011216958 [1,1,0,0,0,0|1,0,0]=3 8016 B12R1.53 CCCNC(C)Cc1cccs1 2230a_100000751415_100000210303 [1,1,0,0,0,0|1,1,0]=4 8017 B12R1.53 CCCOC(C)Cc1ccco1 34a_100011803939_100000210303 [1,1,0,0,0,0|1,0,0]=3 8018 B12R1.53 CCCOC(C)Cc1ccco1 7a_100011803939_100000210303 [1,1,0,0,0,0|1,0,0]=3 8019 B12R1.53 CCOCN(C)Cc1ccco1 269982a_100000185268_100000739092 [1,1,0,0,0,0|2,0,0]=4 8020 B12R1.53 CN(CCCF)Cc1ccco1 2230a_100000185268_100011934791 [1,1,0,0,0,0|2,0,0]=4 8021 B12R1.53 CN(CCCF)Cc1ccco1 269982a_100000185268_100011934791 [1,1,0,0,0,0|2,0,0]=4 8022 B12R1.53 CN(CCCO)Cc1ccco1 2230a_100000185268_100000230001 [1,1,0,0,0,0|2,0,0]=4 8023 B12R1.53 CN(CCCO)Cc1ccco1 269982a_100000185268_100011215043 [1,1,0,0,0,0|2,0,0]=4 8024 B12R1.53 CN(CCCO)Cc1ccco1 270004a_100000213112_100000186105 [1,1,0,0,0,0|2,0,0]=4 8025 B12R1.53 COCCC(=O)Cc1ccco1 1458a_100011217309_100000233755 [1,1,0,0,0,0|1,0,1]=4 8026 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000185268_100011201679 [1,1,0,0,0,0|2,0,0]=4 8027 B12R1.53 COCCN(C)Cc1ccco1 2230a_100000200132_200000210301 [1,1,0,0,0,0|2,0,0]=4 8028 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000185268_100000233755 [1,1,0,0,0,0|2,0,0]=4 8029 B12R1.53 COCCN(C)Cc1ccco1 269982a_100000200132_200000210301 [1,1,0,0,0,0|2,0,0]=4 8030 B12R1.53 COCCN(C)Cc1ccco1 270004a_100000743101_100000186105 [1,1,0,0,0,0|2,0,0]=4 8031 B12R1.53 COCCN([13CH3])Cc1ccco1 2230a_100000200132_200025704644 [1,1,0,0,0,0|2,0,0]=4 8032 B12R1.53 COCCN([13CH3])Cc1ccco1 269982a_100000200132_200025704644 [1,1,0,0,0,0|2,0,0]=4 8033 B12R1.53 CSCCC(=O)Cc1ccco1 1458a_100011217309_100000751147 [1,1,0,0,0,0|1,0,1]=4 8034 B12R1.53 CSCCN(C)Cc1ccco1 2230a_100000185268_100000751147 [1,1,0,0,0,0|2,0,0]=4 8035 B12R1.53 CSCCN(C)Cc1ccco1 269982a_100000185268_100000212216 [1,1,0,0,0,0|2,0,0]=4 8036 B12R1.53 CSCCN(C)Cc1ccco1 270004a_100000686725_100000186105 [1,1,0,0,0,0|2,0,0]=4 8037 B12R1.53 CSCOC(C)Cc1ccco1 34a_100011803939_100011218213 [1,1,0,0,0,0|2,0,0]=4 8038 B12R1.53 O=C(CCCF)Cc1ccco1 1458a_100011217309_100011934791 [1,1,0,0,0,0|1,0,1]=4 8039 B12R1.53 O=C(CCCO)Cc1ccco1 1458a_100011217309_100011215043 [1,1,0,0,0,0|1,0,1]=4 8040 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [1,1,0,0,0,0|1,0,1]=4 8041 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [1,1,0,0,0,0|1,0,1]=4 8042 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [1,1,0,0,0,0|1,0,1]=4 8043 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [1,1,0,0,0,0|1,0,1]=4 8044 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [1,1,0,0,0,0|1,0,1]=4 8045 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [1,1,0,0,0,0|0,1,1]=4 8046 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [1,1,0,0,0,0|1,0,1]=4 8047 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [1,1,0,0,0,0|1,0,1]=4 8048 B12R1.255 CC(Br)CCOCc1ncco1 34a_100009893172_103436540062 [1,1,0,0,0,0|2,0,0]=4 8049 B12R1.255 CC(Br)COCCc1cccs1 34a_100012180447_100000748579 [1,1,0,0,0,0|1,1,0]=4 8050 B12R1.255 CC(C)CCCSc1ccco1 62a_100009814098_100011214892 [1,1,0,0,0,0|1,0,0]=3 8051 B12R1.255 CC(C)CCCSc1ccco1 62a_100011214892_100009814098 [1,1,0,0,0,0|1,0,0]=3 8052 B12R1.255 CC(C)CCCSc1cccs1 62a_100011214892_100011215356 [1,1,0,0,0,0|1,1,0]=4 8053 B12R1.255 CC(C)CCCSc1cccs1 62a_100011215356_100011214892 [1,1,0,0,0,0|1,1,0]=4 8054 B12R1.255 CC(C)CCCSc1cnco1 62a_100011214892_100020591547 [1,1,0,0,0,0|2,0,0]=4 8055 B12R1.255 CC(C)CCCSc1cnco1 62a_100020591547_100011214892 [1,1,0,0,0,0|2,0,0]=4 8056 B12R1.255 CC(C)CCCSc1ncco1 62a_100011214892_100011787736 [1,1,0,0,0,0|2,0,0]=4 8057 B12R1.255 CC(C)CCCSc1ncco1 62a_100011787736_100011214892 [1,1,0,0,0,0|2,0,0]=4 8058 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [1,1,0,0,0,0|1,0,0]=3 8059 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [1,1,0,0,0,0|1,0,0]=3 8060 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [1,1,0,0,0,0|1,0,0]=3 8061 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [1,1,0,0,0,0|1,0,0]=3 8062 B12R1.255 CC(C)CCNCc1cccs1 207a_100000210545_100000209959 [1,1,0,0,0,0|1,1,0]=4 8063 B12R1.255 CC(C)CCNCc1cccs1 2230a_100000211653_100000210312 [1,1,0,0,0,0|1,1,0]=4 8064 B12R1.255 CC(C)CCNCc1cccs1 269862a_100000211653_100000185833 [1,1,0,0,0,0|1,1,0]=4 8065 B12R1.255 CC(C)CCNCc1cccs1 270004a_100000210545_100000209959 [1,1,0,0,0,0|1,1,0]=4 8066 B12R1.255 CC(C)CCNCc1cnco1 269862a_100020634212_100000185833 [1,1,0,0,0,0|2,0,0]=4 8067 B12R1.255 CC(C)CCNCc1cnco1 270004a_100000210545_100000064291 [1,1,0,0,0,0|2,0,0]=4 8068 B12R1.255 CC(C)CCNCc1ncco1 2230a_100016994969_100000210312 [1,1,0,0,0,0|2,0,0]=4 8069 B12R1.255 CC(C)CCNCc1ncco1 270004a_100000210545_100000064290 [1,1,0,0,0,0|2,0,0]=4 8070 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [1,1,0,0,0,0|1,0,0]=3 8071 B12R1.255 CC(C)CCOCc1cccs1 34a_100000211240_100000210312 [1,1,0,0,0,0|1,1,0]=4 8072 B12R1.255 CC(C)CCOCc1ccno1 34a_100000740478_100000210312 [1,1,0,0,0,0|2,0,0]=4 8073 B12R1.255 CC(C)CCOCc1ncco1 34a_100000062594_100000210312 [1,1,0,0,0,0|2,0,0]=4 8074 B12R1.255 CC(C)CCOCc1ncco1 34a_100000210254_103436540062 [1,1,0,0,0,0|2,0,0]=4 8075 B12R1.255 CC(C)CCOCc1ncco1 7a_100000210254_103436540062 [1,1,0,0,0,0|2,0,0]=4 8076 B12R1.255 CC(C)CCSCc1ncco1 62a_100000210312_103436540062 [1,1,0,0,0,0|2,0,0]=4 8077 B12R1.255 CC(C)CCSCc1ncco1 62a_103436540062_100000210312 [1,1,0,0,0,0|2,0,0]=4 8078 B12R1.255 CC(C)CNCCc1ccco1 2230a_100000694680_100000210760 [1,1,0,0,0,0|1,0,0]=3 8079 B12R1.255 CC(C)CNCCc1ccco1 270004a_100000694680_100000210432 [1,1,0,0,0,0|1,0,0]=3 8080 B12R1.255 CC(C)CNCCc1ccco1 34a_100000694680_100000210624 [1,1,0,0,0,0|1,0,0]=3 8081 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000203755_100000210760 [1,1,0,0,0,0|1,1,0]=4 8082 B12R1.255 CC(C)CNCCc1cccs1 2230a_100000210953_100000748579 [1,1,0,0,0,0|1,1,0]=4 8083 B12R1.255 CC(C)CNCCc1cccs1 270004a_100000203755_100000210432 [1,1,0,0,0,0|1,1,0]=4 8084 B12R1.255 CC(C)CNCCc1cccs1 34a_100000203755_100000210624 [1,1,0,0,0,0|1,1,0]=4 8085 B12R1.255 CC(C)CNCCc1cccs1 34a_100000210953_100000748579 [1,1,0,0,0,0|1,1,0]=4 8086 B12R1.255 CC(C)COCCc1cccs1 34a_100000210257_100000748579 [1,1,0,0,0,0|1,1,0]=4 8087 B12R1.255 CC(C)COCCc1cccs1 34a_100011216825_100000210624 [1,1,0,0,0,0|1,1,0]=4 8088 B12R1.255 CC(C)COCCc1cccs1 7a_100011216825_100000210760 [1,1,0,0,0,0|1,1,0]=4 8089 B12R1.255 CC(C)CSCCc1cccs1 62a_100000210624_100000748579 [1,1,0,0,0,0|1,1,0]=4 8090 B12R1.255 CC(C)CSCCc1cccs1 62a_100000748579_100000210760 [1,1,0,0,0,0|1,1,0]=4 8091 B12R1.255 CC(C)NCCCc1cccs1 2230a_100138425928_100010992444 [1,1,0,0,0,0|1,1,0]=4 8092 B12R1.255 CC(C)NCCCc1cccs1 34a_100138425928_100010992444 [1,1,0,0,0,0|1,1,0]=4 8093 B12R1.255 CC(C)OCCCc1cccs1 34a_100000212225_100010992444 [1,1,0,0,0,0|1,1,0]=4 8094 B12R1.255 CC(C)OCCCc1cccs1 34a_100011713143_100000210206 [1,1,0,0,0,0|1,1,0]=4 8095 B12R1.255 CC(C)OCCCc1cccs1 7a_100011713143_100000210206 [1,1,0,0,0,0|1,1,0]=4 8096 B12R1.255 CC(C)OCCSc1ccco1 62a_100000211751_100009814098 [1,1,0,0,0,0|2,0,0]=4 8097 B12R1.255 CC(C)OCCSc1ccco1 62a_100009814098_100000211751 [1,1,0,0,0,0|2,0,0]=4 8098 B12R1.255 CC(C)OCNCc1ccco1 2230a_100000185738_100000709892 [1,1,0,0,0,0|2,0,0]=4 8099 B12R1.255 CC(C)OCNCc1ccco1 34a_100000185738_100000709892 [1,1,0,0,0,0|2,0,0]=4 8100 B12R1.255 CC(C)OCOCc1ccco1 34a_100000210059_100000709892 [1,1,0,0,0,0|2,0,0]=4 8101 B12R1.255 CC(C)SCCCc1cccs1 62a_100000210206_100010992444 [1,1,0,0,0,0|1,1,0]=4 8102 B12R1.255 CC(C)SCCCc1cccs1 62a_100010992444_100000210206 [1,1,0,0,0,0|1,1,0]=4 8103 B12R1.255 CC(C)SCCSc1ccco1 62a_100000730970_100009814098 [1,1,0,0,0,0|2,0,0]=4 8104 B12R1.255 CC(C)SCCSc1ccco1 62a_100009814098_100000730970 [1,1,0,0,0,0|2,0,0]=4 8105 B12R1.255 CC(F)COCCc1cccs1 34a_100015925927_100000748579 [1,1,0,0,0,0|1,1,0]=4 8106 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [1,1,0,0,0,0|1,0,0]=3 8107 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [1,1,0,0,0,0|1,0,0]=3 8108 B12R1.255 CC(O)CCCSc1cccs1 62a_100011215356_200000718107 [1,1,0,0,0,0|1,1,0]=4 8109 B12R1.255 CC(O)CCCSc1cccs1 62a_200000718107_100011215356 [1,1,0,0,0,0|1,1,0]=4 8110 B12R1.255 CC(O)CCCSc1cnco1 62a_100020591547_200000718107 [1,1,0,0,0,0|2,0,0]=4 8111 B12R1.255 CC(O)CCCSc1cnco1 62a_200000718107_100020591547 [1,1,0,0,0,0|2,0,0]=4 8112 B12R1.255 CC(O)CCCSc1ncco1 62a_100011787736_200000718107 [1,1,0,0,0,0|2,0,0]=4 8113 B12R1.255 CC(O)CCCSc1ncco1 62a_200000718107_100011787736 [1,1,0,0,0,0|2,0,0]=4 8114 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [1,1,0,0,0,0|1,0,0]=3 8115 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [1,1,0,0,0,0|1,0,0]=3 8116 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [1,1,0,0,0,0|1,0,0]=3 8117 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [1,1,0,0,0,0|1,0,0]=3 8118 B12R1.255 CC(O)CCNCc1cccs1 207a_200000755665_100000209959 [1,1,0,0,0,0|1,1,0]=4 8119 B12R1.255 CC(O)CCNCc1cccs1 2230a_100000211653_100012276601 [1,1,0,0,0,0|1,1,0]=4 8120 B12R1.255 CC(O)CCNCc1cccs1 270004a_200000755665_100000209959 [1,1,0,0,0,0|1,1,0]=4 8121 B12R1.255 CC(O)CCNCc1cnco1 270004a_200000755665_100000064291 [1,1,0,0,0,0|2,0,0]=4 8122 B12R1.255 CC(O)CCNCc1ncco1 2230a_100016994969_100012276601 [1,1,0,0,0,0|2,0,0]=4 8123 B12R1.255 CC(O)CCNCc1ncco1 2230a_200000755665_103436540062 [1,1,0,0,0,0|2,0,0]=4 8124 B12R1.255 CC(O)CCNCc1ncco1 270004a_200000755665_100000064290 [1,1,0,0,0,0|2,0,0]=4 8125 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [1,1,0,0,0,0|1,0,0]=3 8126 B12R1.255 CC(O)CCOCc1cccs1 34a_100000211240_100012276601 [1,1,0,0,0,0|1,1,0]=4 8127 B12R1.255 CC(O)CCOCc1ccno1 34a_100000740478_100012276601 [1,1,0,0,0,0|2,0,0]=4 8128 B12R1.255 CC(O)CCOCc1ncco1 34a_100000062594_100012276601 [1,1,0,0,0,0|2,0,0]=4 8129 B12R1.255 CC(O)CCSCc1ncco1 62a_100012276601_103436540062 [1,1,0,0,0,0|2,0,0]=4 8130 B12R1.255 CC(O)CCSCc1ncco1 62a_103436540062_100012276601 [1,1,0,0,0,0|2,0,0]=4 8131 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [1,1,0,0,0,0|1,0,0]=3 8132 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [1,1,0,0,0,0|1,0,0]=3 8133 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000203755_100011218427 [1,1,0,0,0,0|1,1,0]=4 8134 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000210904_100000748579 [1,1,0,0,0,0|1,1,0]=4 8135 B12R1.255 CC(O)CNCCc1cccs1 34a_100000203755_100011218427 [1,1,0,0,0,0|1,1,0]=4 8136 B12R1.255 CC(O)CNCCc1cccs1 34a_100000210904_100000748579 [1,1,0,0,0,0|1,1,0]=4 8137 B12R1.255 CC(O)COCCc1cccs1 34a_100011216825_100011218427 [1,1,0,0,0,0|1,1,0]=4 8138 B12R1.255 CC(O)COCCc1cccs1 7a_100011216825_100011218427 [1,1,0,0,0,0|1,1,0]=4 8139 B12R1.255 CC(O)CSCCc1cccs1 62a_100000748579_100011218427 [1,1,0,0,0,0|1,1,0]=4 8140 B12R1.255 CC(O)CSCCc1cccs1 62a_100011218427_100000748579 [1,1,0,0,0,0|1,1,0]=4 8141 B12R1.255 CN(C)CCCSc1ccco1 62a_100009814098_100000757444 [1,1,0,0,0,0|2,0,0]=4 8142 B12R1.255 CN(C)CCNCc1ccco1 207a_100000210585_100000186105 [1,1,0,0,0,0|2,0,0]=4 8143 B12R1.255 CN(C)CCNCc1ccco1 270004a_100000210585_100000186105 [1,1,0,0,0,0|2,0,0]=4 8144 B12R1.255 C[C@@H](Cl)COCCc1cccs1 34a_100016084084_100000748579 [1,1,0,0,0,0|1,1,0]=4 8145 B12R1.255 C[C@@H](N)CCOCc1ncco1 34a_100000706166_103436540062 [1,1,0,0,0,0|2,0,0]=4 8146 B12R1.255 C[C@@H](N)COCCc1cccs1 34a_100000737577_100000748579 [1,1,0,0,0,0|1,1,0]=4 8147 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [1,1,0,0,0,0|1,0,0]=3 8148 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [1,1,0,0,0,0|1,0,0]=3 8149 B12R1.255 C[C@@H](O)CNCCc1cccs1 2230a_100000203755_100009817552 [1,1,0,0,0,0|1,1,0]=4 8150 B12R1.255 C[C@@H](O)CNCCc1cccs1 34a_100000203755_100009817552 [1,1,0,0,0,0|1,1,0]=4 8151 B12R1.255 C[C@@H](O)COCCc1cccs1 34a_100011216825_100009817552 [1,1,0,0,0,0|1,1,0]=4 8152 B12R1.255 C[C@@H](O)COCCc1cccs1 7a_100011216825_100009817552 [1,1,0,0,0,0|1,1,0]=4 8153 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100000748579_100009817552 [1,1,0,0,0,0|1,1,0]=4 8154 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100009817552_100000748579 [1,1,0,0,0,0|1,1,0]=4 8155 B12R1.255 FC(F)CNCCc1ccco1 2230a_100000694680_100011934356 [1,1,0,0,0,0|2,0,0]=4 8156 B12R1.255 FC(F)CNCCc1ccco1 34a_100000694680_100011934356 [1,1,0,0,0,0|2,0,0]=4 8157 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [1,1,0,0,0,0|0,1,1]=4 8158 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [1,1,0,0,0,0|2,0,0]=4 8159 B12R1.372 CCCCCSc1sccc1Br 62a_100000210326_100012361411 [1,1,0,0,0,0|1,1,0]=4 8160 B12R1.372 CCCCCSc1sccc1Br 62a_100012361411_100000210326 [1,1,0,0,0,0|1,1,0]=4 8161 B12R1.372 CCCCCSc1sccc1C 62a_100000210326_100010247149 [1,1,0,0,0,0|1,1,0]=4 8162 B12R1.372 CCCCCSc1sccc1C 62a_100010247149_100000210326 [1,1,0,0,0,0|1,1,0]=4 8163 B12R1.372 CCCCNCc1cccn1C 270004a_100000102301_100000211633 [1,1,0,0,0,0|2,0,0]=4 8164 B12R1.372 CCCCNCc1cccn1C 34a_100011219357_100000210210 [1,1,0,0,0,0|2,0,0]=4 8165 B12R1.372 CCCCNCc1occc1Br 270004a_100000102301_100000756499 [1,1,0,0,0,0|1,0,0]=3 8166 B12R1.372 CCCCNCc1occc1C 207a_100000102301_100000763527 [1,1,0,0,0,0|1,0,0]=3 8167 B12R1.372 CCCCNCc1occc1C 270004a_100000102301_100000763527 [1,1,0,0,0,0|1,0,0]=3 8168 B12R1.372 CCCCNCc1sccc1Br 207a_100000102301_100000766043 [1,1,0,0,0,0|1,1,0]=4 8169 B12R1.372 CCCCNCc1sccc1Br 270004a_100000102301_100000766043 [1,1,0,0,0,0|1,1,0]=4 8170 B12R1.372 CCCCNCc1sccc1C 207a_100000102301_100000210881 [1,1,0,0,0,0|1,1,0]=4 8171 B12R1.372 CCCCNCc1sccc1C 2230a_100000238519_100000210211 [1,1,0,0,0,0|1,1,0]=4 8172 B12R1.372 CCCCNCc1sccc1C 270004a_100000102301_100000210881 [1,1,0,0,0,0|1,1,0]=4 8173 B12R1.372 CCCCNCc1sccc1C 34a_100000238519_100000210210 [1,1,0,0,0,0|1,1,0]=4 8174 B12R1.372 CCCCNCc1sccc1Cl 207a_100000102301_100000722334 [1,1,0,0,0,0|1,1,0]=4 8175 B12R1.372 CCCCNCc1sccc1Cl 2230a_100011934584_100000210211 [1,1,0,0,0,0|1,1,0]=4 8176 B12R1.372 CCCCNCc1sccc1Cl 270004a_100000102301_100000722334 [1,1,0,0,0,0|1,1,0]=4 8177 B12R1.372 CCCCNCc1sccc1Cl 34a_100011934584_100000210210 [1,1,0,0,0,0|1,1,0]=4 8178 B12R1.372 CCCCOCc1occc1C 34a_100011273948_100000210210 [1,1,0,0,0,0|1,0,0]=3 8179 B12R1.372 CCCCOCc1occc1C 7a_100011273948_100000210211 [1,1,0,0,0,0|1,0,0]=3 8180 B12R1.372 CCCCOCc1ocnc1C 34a_100000717716_100000210210 [1,1,0,0,0,0|2,0,0]=4 8181 B12R1.372 CCCCOCc1ocnc1C 7a_100000717716_100000210211 [1,1,0,0,0,0|2,0,0]=4 8182 B12R1.372 CCCCOCc1oncc1C 34a_200011065769_100000210210 [1,1,0,0,0,0|2,0,0]=4 8183 B12R1.372 CCCCOCc1sccc1Br 34a_100000702026_100000210210 [1,1,0,0,0,0|1,1,0]=4 8184 B12R1.372 CCCCOCc1sccc1C 34a_100000238368_100000210210 [1,1,0,0,0,0|1,1,0]=4 8185 B12R1.372 CCCCOCc1sccc1C 7a_100000238368_100000210211 [1,1,0,0,0,0|1,1,0]=4 8186 B12R1.372 CCCCOCc1sccc1Cl 34a_100000722387_100000210210 [1,1,0,0,0,0|1,1,0]=4 8187 B12R1.372 CCCCOCc1sccc1Cl 7a_100000722387_100000210211 [1,1,0,0,0,0|1,1,0]=4 8188 B12R1.372 CCCNCCc1cccn1C 2230a_100011251756_100000210303 [1,1,0,0,0,0|2,0,0]=4 8189 B12R1.372 CCCNCCc1cccn1C 34a_100011251756_100000210303 [1,1,0,0,0,0|2,0,0]=4 8190 B12R1.372 COCCNCc1occc1Br 270004a_100000209980_100000756499 [1,1,0,0,0,0|2,0,0]=4 8191 B12R1.372 COCCNCc1occc1C 207a_100000209980_100000763527 [1,1,0,0,0,0|2,0,0]=4 8192 B12R1.372 COCCNCc1occc1C 270004a_100000209980_100000763527 [1,1,0,0,0,0|2,0,0]=4 8193 B12R1.372 COCCOCc1occc1C 34a_100011273948_100011201679 [1,1,0,0,0,0|2,0,0]=4 8194 B12R1.372 COCCOCc1occc1C 7a_100011273948_100000233755 [1,1,0,0,0,0|2,0,0]=4 8195 B12R1.372 CSCCNCc1occc1Br 270004a_100020590264_100000756499 [1,1,0,0,0,0|2,0,0]=4 8196 B12R1.372 CSCCNCc1occc1C 207a_100020590264_100000763527 [1,1,0,0,0,0|2,0,0]=4 8197 B12R1.372 CSCCNCc1occc1C 270004a_100020590264_100000763527 [1,1,0,0,0,0|2,0,0]=4 8198 B12R1.372 CSCCOCc1occc1C 34a_100011273948_100000212216 [1,1,0,0,0,0|2,0,0]=4 8199 B12R1.372 CSCCOCc1occc1C 7a_100011273948_100000212216 [1,1,0,0,0,0|2,0,0]=4 8200 B12R1.372 Cc1ccoc1CNCCCF 207a_100015189416_100000763527 [1,1,0,0,0,0|2,0,0]=4 8201 B12R1.372 Cc1ccoc1CNCCCF 270004a_100015189416_100000763527 [1,1,0,0,0,0|2,0,0]=4 8202 B12R1.372 Cc1ccoc1CNCCCO 207a_100000182051_100000763527 [1,1,0,0,0,0|2,0,0]=4 8203 B12R1.372 Cc1ccoc1CNCCCO 270004a_100000182051_100000763527 [1,1,0,0,0,0|2,0,0]=4 8204 B12R1.372 Cc1ccoc1COCCCF 34a_100011273948_100011934791 [1,1,0,0,0,0|2,0,0]=4 8205 B12R1.372 Cc1ccoc1COCCCF 7a_100011273948_100011934791 [1,1,0,0,0,0|2,0,0]=4 8206 B12R1.372 Cc1ccoc1COCCCO 34a_100011273948_100000230001 [1,1,0,0,0,0|2,0,0]=4 8207 B12R1.372 Cc1ccoc1COCCCO 7a_100011273948_100011215043 [1,1,0,0,0,0|2,0,0]=4 8208 B12R1.372 FCCCNCc1occc1Br 270004a_100015189416_100000756499 [1,1,0,0,0,0|2,0,0]=4 8209 B12R1.372 OCCCNCc1occc1Br 270004a_100000182051_100000756499 [1,1,0,0,0,0|2,0,0]=4 8210 B12R1.477 CC(CO)CNCc1ccco1 207a_100000744482_100000186105 [1,1,0,0,0,0|2,0,0]=4 8211 B12R1.477 CC(CO)NCCc1ccco1 2230a_100000694680_100012180447 [1,1,0,0,0,0|2,0,0]=4 8212 B12R1.477 CC(CO)NCCc1ccco1 34a_100000694680_100012180447 [1,1,0,0,0,0|2,0,0]=4 8213 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [1,1,0,0,0,0|0,1,1]=4 8214 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [1,1,0,0,0,0|0,1,1]=4 8215 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [1,1,0,0,0,0|1,0,1]=4 8216 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [1,1,0,0,0,0|1,0,1]=4 8217 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [1,1,0,0,0,0|1,0,1]=4 8218 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [1,1,0,0,0,0|1,0,1]=4 8219 B12R1.477 CCC(C)CNCc1ccco1 207a_100020588543_100000186105 [1,1,0,0,0,0|1,0,0]=3 8220 B12R1.477 CCC(C)CNCc1ccco1 2230a_100000185738_100000748023 [1,1,0,0,0,0|1,0,0]=3 8221 B12R1.477 CCC(C)CNCc1ccco1 270004a_100000185738_100000243153 [1,1,0,0,0,0|1,0,0]=3 8222 B12R1.477 CCC(C)CNCc1ccco1 270004a_100020588543_100000186105 [1,1,0,0,0,0|1,0,0]=3 8223 B12R1.477 CCC(C)CNCc1ccco1 34a_100000185738_100000748023 [1,1,0,0,0,0|1,0,0]=3 8224 B12R1.477 CCC(C)CNCc1cccs1 207a_100020588543_100000209959 [1,1,0,0,0,0|1,1,0]=4 8225 B12R1.477 CCC(C)CNCc1cccs1 2230a_100000211653_100000748023 [1,1,0,0,0,0|1,1,0]=4 8226 B12R1.477 CCC(C)CNCc1cccs1 270004a_100000211653_100000243153 [1,1,0,0,0,0|1,1,0]=4 8227 B12R1.477 CCC(C)CNCc1cccs1 270004a_100020588543_100000209959 [1,1,0,0,0,0|1,1,0]=4 8228 B12R1.477 CCC(C)CNCc1cnco1 270004a_100020588543_100000064291 [1,1,0,0,0,0|2,0,0]=4 8229 B12R1.477 CCC(C)CNCc1cnco1 270004a_100020634212_100000243153 [1,1,0,0,0,0|2,0,0]=4 8230 B12R1.477 CCC(C)CNCc1ncco1 2230a_100016994969_100000748023 [1,1,0,0,0,0|2,0,0]=4 8231 B12R1.477 CCC(C)CNCc1ncco1 2230a_100020588543_103436540062 [1,1,0,0,0,0|2,0,0]=4 8232 B12R1.477 CCC(C)CNCc1ncco1 270004a_100020588543_100000064290 [1,1,0,0,0,0|2,0,0]=4 8233 B12R1.477 CCC(C)COCc1ccco1 34a_100000210059_100000748023 [1,1,0,0,0,0|1,0,0]=3 8234 B12R1.477 CCC(C)COCc1cccs1 34a_100000211240_100000748023 [1,1,0,0,0,0|1,1,0]=4 8235 B12R1.477 CCC(C)COCc1ccno1 34a_100000740478_100000748023 [1,1,0,0,0,0|2,0,0]=4 8236 B12R1.477 CCC(C)COCc1ncco1 34a_100000062594_100000748023 [1,1,0,0,0,0|2,0,0]=4 8237 B12R1.477 CCC(C)CSCc1ncco1 62a_100000748023_103436540062 [1,1,0,0,0,0|2,0,0]=4 8238 B12R1.477 CCC(C)CSCc1ncco1 62a_103436540062_100000748023 [1,1,0,0,0,0|2,0,0]=4 8239 B12R1.477 CCC(C)NCCc1ccco1 2230a_100000694680_100000758301 [1,1,0,0,0,0|1,0,0]=3 8240 B12R1.477 CCC(C)NCCc1ccco1 34a_100000694680_100011215416 [1,1,0,0,0,0|1,0,0]=3 8241 B12R1.477 CCC(C)NCCc1cccs1 2230a_100000203755_100000758301 [1,1,0,0,0,0|1,1,0]=4 8242 B12R1.477 CCC(C)NCCc1cccs1 2230a_100000209981_100000748579 [1,1,0,0,0,0|1,1,0]=4 8243 B12R1.477 CCC(C)NCCc1cccs1 34a_100000203755_100011215416 [1,1,0,0,0,0|1,1,0]=4 8244 B12R1.477 CCC(C)OCCc1cccs1 34a_100011216825_100011215416 [1,1,0,0,0,0|1,1,0]=4 8245 B12R1.477 CCC(C)OCCc1cccs1 7a_100000210228_100000748579 [1,1,0,0,0,0|1,1,0]=4 8246 B12R1.477 CCC(C)OCCc1cccs1 7a_100011216825_100000758301 [1,1,0,0,0,0|1,1,0]=4 8247 B12R1.477 CCC(C)SCCc1cccs1 62a_100000748579_100000758301 [1,1,0,0,0,0|1,1,0]=4 8248 B12R1.477 CCC(C)SCCc1cccs1 62a_100000758301_100000748579 [1,1,0,0,0,0|1,1,0]=4 8249 B12R1.477 CCC(O)CNCc1ccco1 207a_100011218483_100000186105 [1,1,0,0,0,0|1,0,0]=3 8250 B12R1.477 CCC(O)CNCc1ccco1 2230a_100000185738_100011218378 [1,1,0,0,0,0|1,0,0]=3 8251 B12R1.477 CCC(O)CNCc1ccco1 270004a_100011218483_100000186105 [1,1,0,0,0,0|1,0,0]=3 8252 B12R1.477 CCC(O)CNCc1ccco1 34a_100000185738_100011218378 [1,1,0,0,0,0|1,0,0]=3 8253 B12R1.477 CCC(O)CNCc1cccs1 207a_100011218483_100000209959 [1,1,0,0,0,0|1,1,0]=4 8254 B12R1.477 CCC(O)CNCc1cccs1 2230a_100000211653_100011218378 [1,1,0,0,0,0|1,1,0]=4 8255 B12R1.477 CCC(O)CNCc1cccs1 270004a_100011218483_100000209959 [1,1,0,0,0,0|1,1,0]=4 8256 B12R1.477 CCC(O)CNCc1cnco1 270004a_100011218483_100000064291 [1,1,0,0,0,0|2,0,0]=4 8257 B12R1.477 CCC(O)CNCc1ncco1 2230a_100011218483_103436540062 [1,1,0,0,0,0|2,0,0]=4 8258 B12R1.477 CCC(O)CNCc1ncco1 2230a_100016994969_100011218378 [1,1,0,0,0,0|2,0,0]=4 8259 B12R1.477 CCC(O)CNCc1ncco1 270004a_100011218483_100000064290 [1,1,0,0,0,0|2,0,0]=4 8260 B12R1.477 CCC(O)COCc1ccco1 34a_100000210059_100011218378 [1,1,0,0,0,0|1,0,0]=3 8261 B12R1.477 CCC(O)COCc1cccs1 34a_100000211240_100011218378 [1,1,0,0,0,0|1,1,0]=4 8262 B12R1.477 CCC(O)COCc1ccno1 34a_100000740478_100011218378 [1,1,0,0,0,0|2,0,0]=4 8263 B12R1.477 CCC(O)COCc1ncco1 34a_100000062594_100011218378 [1,1,0,0,0,0|2,0,0]=4 8264 B12R1.477 CCC(O)CSCc1ncco1 62a_100011218378_103436540062 [1,1,0,0,0,0|2,0,0]=4 8265 B12R1.477 CCC(O)CSCc1ncco1 62a_103436540062_100011218378 [1,1,0,0,0,0|2,0,0]=4 8266 B12R1.477 CCN(C)CCCc1cccs1 2230a_100000225621_100010992444 [1,1,0,0,0,0|1,1,0]=4 8267 B12R1.477 CCN(C)CCCc1cccs1 269982a_100000225621_100010992444 [1,1,0,0,0,0|1,1,0]=4 8268 B12R1.477 CC[C@H](C)CNCc1ccco1 2230a_100000185738_100009816398 [1,1,0,0,0,0|1,0,0]=3 8269 B12R1.477 CC[C@H](C)CNCc1ccco1 34a_100000185738_100009816398 [1,1,0,0,0,0|1,0,0]=3 8270 B12R1.477 CC[C@H](C)CNCc1cccs1 2230a_100000211653_100009816398 [1,1,0,0,0,0|1,1,0]=4 8271 B12R1.477 CC[C@H](C)CNCc1ncco1 2230a_100016994969_100009816398 [1,1,0,0,0,0|2,0,0]=4 8272 B12R1.477 CC[C@H](C)COCc1ccco1 34a_100000210059_100009816398 [1,1,0,0,0,0|1,0,0]=3 8273 B12R1.477 CC[C@H](C)COCc1cccs1 34a_100000211240_100009816398 [1,1,0,0,0,0|1,1,0]=4 8274 B12R1.477 CC[C@H](C)COCc1ccno1 34a_100000740478_100009816398 [1,1,0,0,0,0|2,0,0]=4 8275 B12R1.477 CC[C@H](C)COCc1ncco1 34a_100000062594_100009816398 [1,1,0,0,0,0|2,0,0]=4 8276 B12R1.477 CC[C@H](C)COCc1ncco1 7a_100009816381_103436540062 [1,1,0,0,0,0|2,0,0]=4 8277 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_100009816398_103436540062 [1,1,0,0,0,0|2,0,0]=4 8278 B12R1.477 CC[C@H](C)CSCc1ncco1 62a_103436540062_100009816398 [1,1,0,0,0,0|2,0,0]=4 8279 B12R1.477 CNC(C)CSCc1ccco1 270004a_106832991635_200000149978 [1,1,0,0,0,0|2,0,0]=4 8280 B12R1.477 CO[C@H](C)CNCc1ccco1 207a_100020591295_100000186105 [1,1,0,0,0,0|2,0,0]=4 8281 B12R1.477 CO[C@H](C)CNCc1ccco1 270004a_100020591295_100000186105 [1,1,0,0,0,0|2,0,0]=4 8282 B12R1.477 C[C@@H](CO)CNCc1ccco1 2230a_100000185738_100000059175 [1,1,0,0,0,0|2,0,0]=4 8283 B12R1.477 C[C@@H](CO)CNCc1ccco1 34a_100000185738_100000059175 [1,1,0,0,0,0|2,0,0]=4 8284 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [1,1,0,0,0,0|2,0,0]=4 8285 B12R1.477 OCC(O)CNCc1ccco1 2230a_100000185738_100011219619 [1,1,0,0,0,0|2,0,0]=4 8286 B12R1.477 OCC(O)CNCc1ccco1 34a_100000185738_100011219619 [1,1,0,0,0,0|2,0,0]=4 8287 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [1,1,0,0,0,0|2,0,0]=4 8288 B12R1.477 OC[C@@H](O)CNCc1ccco1 207a_100020644852_100000186105 [1,1,0,0,0,0|2,0,0]=4 8289 B12R1.477 OC[C@H](F)CNCc1ccco1 207a_100015665980_100000186105 [1,1,0,0,0,0|2,0,0]=4 8290 B12R1.477 OC[C@H](F)CNCc1ccco1 270004a_100015665980_100000186105 [1,1,0,0,0,0|2,0,0]=4 8291 B12R1.477 OC[C@H](O)CNCc1ccco1 2230a_100000185738_100009815848 [1,1,0,0,0,0|2,0,0]=4 8292 B12R1.477 OC[C@H](O)CNCc1ccco1 34a_100000185738_100009815848 [1,1,0,0,0,0|2,0,0]=4 8293 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [1,1,0,0,0,0|2,0,0]=4 8294 B12R1.477 O[C@@H](CF)CNCc1ccco1 2230a_100000185738_100015614560 [1,1,0,0,0,0|2,0,0]=4 8295 B12R1.477 O[C@@H](CF)CNCc1ccco1 34a_100000185738_100015614560 [1,1,0,0,0,0|2,0,0]=4 8296 B12R1.477 O[C@@H](CF)COCc1ccco1 34a_100000210059_100015614560 [1,1,0,0,0,0|2,0,0]=4 8297 B14R1.14 CCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813667 [0,1,0,0,0,1|1,0,0]=3 8298 B14R1.14 CCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210314 [0,1,0,0,0,1|2,0,0]=4 8299 B14R1.14 CCCCCCNc1ccc(cc1)Br 34a_100000210018_100000210314 [0,1,0,0,0,1|2,0,0]=4 8300 B14R1.14 CCCCCCNc1ccc(cc1)C 34a_100000124888_100000210314 [0,1,0,0,0,1|2,0,0]=4 8301 B14R1.14 CCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210314 [0,1,0,0,0,1|2,0,0]=4 8302 B14R1.14 CCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000210314 [0,1,0,0,0,1|2,0,0]=4 8303 B14R1.14 CCCCCCNc1ccc(cc1)F 34a_100000185862_100000210314 [0,1,0,0,0,1|2,0,0]=4 8304 B14R1.14 CCCCCCNc1ccc(cc1)I 34a_100000185761_100000210314 [0,1,0,0,0,1|2,0,0]=4 8305 B14R1.14 CCCCCCNc1ccc(cc1)O 34a_100000185829_100000210314 [0,1,0,0,0,1|2,0,0]=4 8306 B14R1.14 CCCCCCNc1ccc(cn1)Br 27a_100000210581_100000686858 [0,1,0,0,0,1|2,0,0]=4 8307 B14R1.14 CCCCCCNc1ccc(nn1)C 27a_100000210581_100000744512 [0,1,0,0,0,1|2,0,0]=4 8308 B14R1.14 CCCCCCNc1cnc(cn1)Br 27a_100000210581_100010187541 [0,1,0,0,0,1|2,0,0]=4 8309 B14R1.14 CCCCCCNc1cnc(cn1)C 27a_100000210581_100000074397 [0,1,0,0,0,1|2,0,0]=4 8310 B14R1.14 CCCCCCNc1cnc(cn1)F 27a_100000210581_100009856528 [0,1,0,0,0,1|2,0,0]=4 8311 B14R1.14 CCCCCCNc1ncc(cn1)Br 27a_100000210581_100000690281 [0,1,0,0,0,1|2,0,0]=4 8312 B14R1.14 CCCCCCNc1ncc(cn1)C 27a_100000210581_100000061069 [0,1,0,0,0,1|2,0,0]=4 8313 B14R1.14 CCCCCCNc1ncc(cn1)Cl 27a_100000210581_100011356929 [0,1,0,0,0,1|2,0,0]=4 8314 B14R1.14 CCCCCCNc1ncc(cn1)F 27a_100000210581_100000685220 [0,1,0,0,0,1|2,0,0]=4 8315 B14R1.14 CCCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210314 [0,1,0,0,0,1|2,0,0]=4 8316 B14R1.14 CCCCCCOc1ccc(cc1)Br 34a_100000185759_100000210314 [0,1,0,0,0,1|2,0,0]=4 8317 B14R1.14 CCCCCCOc1ccc(cc1)Br 7a_100000185759_100000210314 [0,1,0,0,0,1|2,0,0]=4 8318 B14R1.14 CCCCCCOc1ccc(cc1)C 34a_100000210336_100000210314 [0,1,0,0,0,1|2,0,0]=4 8319 B14R1.14 CCCCCCOc1ccc(cc1)C 7a_100000210336_100000210314 [0,1,0,0,0,1|2,0,0]=4 8320 B14R1.14 CCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000210314 [0,1,0,0,0,1|2,0,0]=4 8321 B14R1.14 CCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210314 [0,1,0,0,0,1|2,0,0]=4 8322 B14R1.14 CCCCCCOc1ccc(cc1)F 34a_100000210339_100000210314 [0,1,0,0,0,1|2,0,0]=4 8323 B14R1.14 CCCCCCOc1ccc(cc1)I 34a_100000212066_100000210314 [0,1,0,0,0,1|2,0,0]=4 8324 B14R1.14 CCCCCCOc1ccc(cc1)I 7a_100000212066_100000210314 [0,1,0,0,0,1|2,0,0]=4 8325 B14R1.14 CCCCCCOc1ccc(cc1)N 34a_100000185829_100000210314 [0,1,0,0,0,1|2,0,0]=4 8326 B14R1.14 CCCCCCOc1ccc(cc1)O 271570a_203496583355_100011216197 [0,1,0,0,0,1|2,0,0]=4 8327 B14R1.14 CCCCCCOc1ccc(cn1)C 34a_100000759353_100000210314 [0,1,0,0,0,1|2,0,0]=4 8328 B14R1.14 CCCCCCOc1ccc(cn1)Cl 34a_100011215309_100000210314 [0,1,0,0,0,1|2,0,0]=4 8329 B14R1.14 CCCCCCOc1ccc(cn1)F 34a_100000742473_100000210314 [0,1,0,0,0,1|2,0,0]=4 8330 B14R1.14 CCCCCCOc1ccc(cn1)N 34a_100000729260_100000210314 [0,1,0,0,0,1|2,0,0]=4 8331 B14R1.14 CCCCCCOc1ccc(nc1)Br 34a_100000685995_100000210314 [0,1,0,0,0,1|2,0,0]=4 8332 B14R1.14 CCCCCCOc1ccc(nc1)Br 7a_100000685995_100000210314 [0,1,0,0,0,1|2,0,0]=4 8333 B14R1.14 CCCCCCOc1ccc(nc1)C 34a_100000745506_100000210314 [0,1,0,0,0,1|2,0,0]=4 8334 B14R1.14 CCCCCCOc1ccc(nc1)C 7a_100000745506_100000210314 [0,1,0,0,0,1|2,0,0]=4 8335 B14R1.14 CCCCCCOc1ccc(nc1)Cl 34a_100000744096_100000210314 [0,1,0,0,0,1|2,0,0]=4 8336 B14R1.14 CCCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210314 [0,1,0,0,0,1|2,0,0]=4 8337 B14R1.14 CCCCCCOc1ccc(nc1)F 34a_100000688820_100000210314 [0,1,0,0,0,1|2,0,0]=4 8338 B14R1.14 CCCCCCOc1ccc(nc1)F 7a_100000688820_100000210314 [0,1,0,0,0,1|2,0,0]=4 8339 B14R1.14 CCCCCCOc1ccc(nc1)I 34a_100000687607_100000210314 [0,1,0,0,0,1|2,0,0]=4 8340 B14R1.14 CCCCCCOc1ccc(nc1)I 7a_100000687607_100000210314 [0,1,0,0,0,1|2,0,0]=4 8341 B14R1.14 CCCCCCOc1ccc(nc1)N 34a_100015188713_100000210314 [0,1,0,0,0,1|2,0,0]=4 8342 B14R1.14 CCCCCCOc1ccc(nc1)N 7a_100015188713_100000210314 [0,1,0,0,0,1|2,0,0]=4 8343 B14R1.14 CCCCCCOc1cnc(cn1)Br 34a_100011934580_100000210314 [0,1,0,0,0,1|2,0,0]=4 8344 B14R1.14 CCCCCCOc1cnc(cn1)Cl 34a_100015839800_100000210314 [0,1,0,0,0,1|2,0,0]=4 8345 B14R1.14 CCCCCCOc1ncc(cn1)F 34a_100011934040_100000210314 [0,1,0,0,0,1|2,0,0]=4 8346 B14R1.14 CCCCCCSc1cc[n+](cc1)[O-] 62a_100000210314_100000039755 [0,1,0,0,0,1|2,0,0]=4 8347 B14R1.14 CCCCCCSc1ccc(=O)[nH]c1 62a_100000210314_100000212171 [0,1,0,0,0,1|2,0,0]=4 8348 B14R1.14 CCCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210757 [0,1,0,0,0,1|2,0,0]=4 8349 B14R1.14 CCCCCCSc1ccc(=O)[nH]n1 62a_100000210314_100009820020 [0,1,0,0,0,1|2,0,0]=4 8350 B14R1.14 CCCCCCSc1ccc(=O)[nH]n1 62a_100009820020_100000210757 [0,1,0,0,0,1|2,0,0]=4 8351 B14R1.14 CCCCCCSc1ccc(cc1)Br 62a_100000210314_100000752885 [0,1,0,0,0,1|2,0,0]=4 8352 B14R1.14 CCCCCCSc1ccc(cc1)Br 62a_100000752885_100000210757 [0,1,0,0,0,1|2,0,0]=4 8353 B14R1.14 CCCCCCSc1ccc(cc1)C 62a_100000186775_100000210757 [0,1,0,0,0,1|2,0,0]=4 8354 B14R1.14 CCCCCCSc1ccc(cc1)C 62a_100000210314_100000186775 [0,1,0,0,0,1|2,0,0]=4 8355 B14R1.14 CCCCCCSc1ccc(cc1)Cl 62a_100000210314_100000755918 [0,1,0,0,0,1|2,0,0]=4 8356 B14R1.14 CCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210757 [0,1,0,0,0,1|2,0,0]=4 8357 B14R1.14 CCCCCCSc1ccc(cc1)F 62a_100000210314_100000211213 [0,1,0,0,0,1|2,0,0]=4 8358 B14R1.14 CCCCCCSc1ccc(cc1)F 62a_100000211213_100000210757 [0,1,0,0,0,1|2,0,0]=4 8359 B14R1.14 CCCCCCSc1ccc(cc1)N 62a_100000185761_100000210757 [0,1,0,0,0,1|2,0,0]=4 8360 B14R1.14 CCCCCCSc1ccc(cc1)N 62a_100000210314_100000185761 [0,1,0,0,0,1|2,0,0]=4 8361 B14R1.14 CCCCCCSc1ccc(cc1)O 62a_100000210314_100000185759 [0,1,0,0,0,1|2,0,0]=4 8362 B14R1.14 CCCCCCSc1ccc(cn1)Br 62a_100000210314_100000686858 [0,1,0,0,0,1|2,0,0]=4 8363 B14R1.14 CCCCCCSc1ccc(cn1)Br 62a_100000686858_100000210757 [0,1,0,0,0,1|2,0,0]=4 8364 B14R1.14 CCCCCCSc1ccc(cn1)C 62a_100000210314_100000754016 [0,1,0,0,0,1|2,0,0]=4 8365 B14R1.14 CCCCCCSc1ccc(cn1)C 62a_100011192072_100000210757 [0,1,0,0,0,1|2,0,0]=4 8366 B14R1.14 CCCCCCSc1ccc(cn1)Cl 62a_100000210314_100011356976 [0,1,0,0,0,1|2,0,0]=4 8367 B14R1.14 CCCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210757 [0,1,0,0,0,1|2,0,0]=4 8368 B14R1.14 CCCCCCSc1ccc(cn1)F 62a_100000210314_100000744514 [0,1,0,0,0,1|2,0,0]=4 8369 B14R1.14 CCCCCCSc1ccc(cn1)F 62a_100000744514_100000210757 [0,1,0,0,0,1|2,0,0]=4 8370 B14R1.14 CCCCCCSc1ccc(cn1)N 62a_100000210314_100000737798 [0,1,0,0,0,1|2,0,0]=4 8371 B14R1.14 CCCCCCSc1ccc(cn1)N 62a_100000737798_100000210757 [0,1,0,0,0,1|2,0,0]=4 8372 B14R1.14 CCCCCCSc1ccc(cn1)O 62a_100000210314_100000744096 [0,1,0,0,0,1|2,0,0]=4 8373 B14R1.14 CCCCCCSc1ccc(cn1)O 62a_100000685995_100000210757 [0,1,0,0,0,1|2,0,0]=4 8374 B14R1.14 CCCCCCSc1ccc(nc1)Br 62a_100000210314_100009814638 [0,1,0,0,0,1|2,0,0]=4 8375 B14R1.14 CCCCCCSc1ccc(nc1)Br 62a_100009814638_100000210757 [0,1,0,0,0,1|2,0,0]=4 8376 B14R1.14 CCCCCCSc1ccc(nc1)C 62a_100000210314_100000751577 [0,1,0,0,0,1|2,0,0]=4 8377 B14R1.14 CCCCCCSc1ccc(nc1)C 62a_100000751577_100000210757 [0,1,0,0,0,1|2,0,0]=4 8378 B14R1.14 CCCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210757 [0,1,0,0,0,1|2,0,0]=4 8379 B14R1.14 CCCCCCSc1ccc(nc1)Cl 62a_100000210314_100000034144 [0,1,0,0,0,1|2,0,0]=4 8380 B14R1.14 CCCCCCSc1ccc(nc1)F 62a_100000042367_100000210757 [0,1,0,0,0,1|2,0,0]=4 8381 B14R1.14 CCCCCCSc1ccc(nc1)F 62a_100000210314_100000042367 [0,1,0,0,0,1|2,0,0]=4 8382 B14R1.14 CCCCCCSc1ccc(nc1)N 62a_100000187370_100000210757 [0,1,0,0,0,1|2,0,0]=4 8383 B14R1.14 CCCCCCSc1ccc(nc1)N 62a_100000210314_100000187370 [0,1,0,0,0,1|2,0,0]=4 8384 B14R1.14 CCCCCCSc1ccc(nn1)C 62a_100000210314_100000744512 [0,1,0,0,0,1|2,0,0]=4 8385 B14R1.14 CCCCCCSc1ccc(nn1)C 62a_100000744512_100000210757 [0,1,0,0,0,1|2,0,0]=4 8386 B14R1.14 CCCCCCSc1ccc(nn1)Cl 62a_100000068654_100000210757 [0,1,0,0,0,1|2,0,0]=4 8387 B14R1.14 CCCCCCSc1ccc(nn1)Cl 62a_100000210314_100000068654 [0,1,0,0,0,1|2,0,0]=4 8388 B14R1.14 CCCCCCSc1ccc(nn1)N 62a_100000210314_100010219413 [0,1,0,0,0,1|2,0,0]=4 8389 B14R1.14 CCCCCCSc1ccc(nn1)N 62a_100010219413_100000210757 [0,1,0,0,0,1|2,0,0]=4 8390 B14R1.14 CCCCCCSc1cnc(cn1)Br 62a_100000210314_100010187541 [0,1,0,0,0,1|2,0,0]=4 8391 B14R1.14 CCCCCCSc1cnc(cn1)Br 62a_100010187541_100000210757 [0,1,0,0,0,1|2,0,0]=4 8392 B14R1.14 CCCCCCSc1cnc(cn1)C 62a_100000210314_100011999403 [0,1,0,0,0,1|2,0,0]=4 8393 B14R1.14 CCCCCCSc1cnc(cn1)C 62a_100011999403_100000210757 [0,1,0,0,0,1|2,0,0]=4 8394 B14R1.14 CCCCCCSc1cnc(cn1)Cl 62a_100000210314_100010214907 [0,1,0,0,0,1|2,0,0]=4 8395 B14R1.14 CCCCCCSc1cnc(cn1)Cl 62a_100010214907_100000210757 [0,1,0,0,0,1|2,0,0]=4 8396 B14R1.14 CCCCCCSc1cnc(cn1)F 62a_100000210314_100009856528 [0,1,0,0,0,1|2,0,0]=4 8397 B14R1.14 CCCCCCSc1cnc(cn1)F 62a_100009856528_100000210757 [0,1,0,0,0,1|2,0,0]=4 8398 B14R1.14 CCCCCCSc1cnc(cn1)N 62a_100000210314_100000744751 [0,1,0,0,0,1|2,0,0]=4 8399 B14R1.14 CCCCCCSc1cnc(cn1)N 62a_100000744751_100000210757 [0,1,0,0,0,1|2,0,0]=4 8400 B14R1.14 CCCCCCSc1cnc(cn1)O 62a_100000210314_100015839800 [0,1,0,0,0,1|2,0,0]=4 8401 B14R1.14 CCCCCCSc1cnc(cn1)O 62a_100011934580_100000210757 [0,1,0,0,0,1|2,0,0]=4 8402 B14R1.14 CCCCCCSc1ncc(cn1)Br 62a_100000210314_100000690281 [0,1,0,0,0,1|2,0,0]=4 8403 B14R1.14 CCCCCCSc1ncc(cn1)Br 62a_100000690281_100000210757 [0,1,0,0,0,1|2,0,0]=4 8404 B14R1.14 CCCCCCSc1ncc(cn1)C 62a_100000061069_100000210757 [0,1,0,0,0,1|2,0,0]=4 8405 B14R1.14 CCCCCCSc1ncc(cn1)C 62a_100000210314_100000061069 [0,1,0,0,0,1|2,0,0]=4 8406 B14R1.14 CCCCCCSc1ncc(cn1)Cl 62a_100000210314_100011356929 [0,1,0,0,0,1|2,0,0]=4 8407 B14R1.14 CCCCCCSc1ncc(cn1)Cl 62a_100011356929_100000210757 [0,1,0,0,0,1|2,0,0]=4 8408 B14R1.14 CCCCCCSc1ncc(cn1)F 62a_100000210314_100000685220 [0,1,0,0,0,1|2,0,0]=4 8409 B14R1.14 CCCCCCSc1ncc(cn1)F 62a_100000685220_100000210757 [0,1,0,0,0,1|2,0,0]=4 8410 B14R1.14 CCCCCCSc1ncc(cn1)N 62a_100000068403_100000210757 [0,1,0,0,0,1|2,0,0]=4 8411 B14R1.14 CCCCCCSc1ncc(cn1)N 62a_100000210314_100000068403 [0,1,0,0,0,1|2,0,0]=4 8412 B14R1.14 CCCCCCSc1ncc(cn1)O 62a_100000210314_100000092845 [0,1,0,0,0,1|2,0,0]=4 8413 B14R1.14 CCCCCCSc1ncc(cn1)O 62a_100000730009_100000210757 [0,1,0,0,0,1|2,0,0]=4 8414 B14R1.14 CCCCCNCc1ccc(=O)[nH]n1 207a_100000209983_100011361533 [0,1,0,0,0,1|2,0,0]=4 8415 B14R1.14 CCCCCNCc1ccc(=O)[nH]n1 270004a_100000209983_100011361533 [0,1,0,0,0,1|2,0,0]=4 8416 B14R1.14 CCCCCNCc1ccc(cc1)Br 207a_100000209983_100000186029 [0,1,0,0,0,1|2,0,0]=4 8417 B14R1.14 CCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210326 [0,1,0,0,0,1|2,0,0]=4 8418 B14R1.14 CCCCCNCc1ccc(cc1)Br 2230a_100000209983_100011217064 [0,1,0,0,0,1|2,0,0]=4 8419 B14R1.14 CCCCCNCc1ccc(cc1)Br 270004a_100000209983_100000186029 [0,1,0,0,0,1|2,0,0]=4 8420 B14R1.14 CCCCCNCc1ccc(cc1)Br 34a_100000174875_100000718602 [0,1,0,0,0,1|2,0,0]=4 8421 B14R1.14 CCCCCNCc1ccc(cc1)C 207a_100000209983_100000211033 [0,1,0,0,0,1|2,0,0]=4 8422 B14R1.14 CCCCCNCc1ccc(cc1)C 2230a_100000174908_100000210326 [0,1,0,0,0,1|2,0,0]=4 8423 B14R1.14 CCCCCNCc1ccc(cc1)C 2230a_100000209983_100000210814 [0,1,0,0,0,1|2,0,0]=4 8424 B14R1.14 CCCCCNCc1ccc(cc1)C 270004a_100000209983_100000211033 [0,1,0,0,0,1|2,0,0]=4 8425 B14R1.14 CCCCCNCc1ccc(cc1)C 34a_100000174908_100000718602 [0,1,0,0,0,1|2,0,0]=4 8426 B14R1.14 CCCCCNCc1ccc(cc1)Cl 207a_100000209983_100000189385 [0,1,0,0,0,1|2,0,0]=4 8427 B14R1.14 CCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210326 [0,1,0,0,0,1|2,0,0]=4 8428 B14R1.14 CCCCCNCc1ccc(cc1)Cl 2230a_100000209983_100000694040 [0,1,0,0,0,1|2,0,0]=4 8429 B14R1.14 CCCCCNCc1ccc(cc1)Cl 270004a_100000209983_100000189385 [0,1,0,0,0,1|2,0,0]=4 8430 B14R1.14 CCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000718602 [0,1,0,0,0,1|2,0,0]=4 8431 B14R1.14 CCCCCNCc1ccc(cc1)F 207a_100000209983_100000210084 [0,1,0,0,0,1|2,0,0]=4 8432 B14R1.14 CCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210326 [0,1,0,0,0,1|2,0,0]=4 8433 B14R1.14 CCCCCNCc1ccc(cc1)F 2230a_100000209983_100000198546 [0,1,0,0,0,1|2,0,0]=4 8434 B14R1.14 CCCCCNCc1ccc(cc1)F 270004a_100000209983_100000210084 [0,1,0,0,0,1|2,0,0]=4 8435 B14R1.14 CCCCCNCc1ccc(cc1)F 34a_100000174882_100000718602 [0,1,0,0,0,1|2,0,0]=4 8436 B14R1.14 CCCCCNCc1ccc(cc1)I 207a_100000209983_100000188517 [0,1,0,0,0,1|2,0,0]=4 8437 B14R1.14 CCCCCNCc1ccc(cc1)I 2230a_100000209983_100000189116 [0,1,0,0,0,1|2,0,0]=4 8438 B14R1.14 CCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210326 [0,1,0,0,0,1|2,0,0]=4 8439 B14R1.14 CCCCCNCc1ccc(cc1)I 34a_100016989417_100000718602 [0,1,0,0,0,1|2,0,0]=4 8440 B14R1.14 CCCCCNCc1ccc(cc1)O 34a_100000185549_100000718602 [0,1,0,0,0,1|2,0,0]=4 8441 B14R1.14 CCCCCNCc1ccc(cn1)Br 207a_100000209983_100000754260 [0,1,0,0,0,1|2,0,0]=4 8442 B14R1.14 CCCCCNCc1ccc(cn1)Br 2230a_100000209983_100000702658 [0,1,0,0,0,1|2,0,0]=4 8443 B14R1.14 CCCCCNCc1ccc(cn1)Br 270004a_100000209983_100000754260 [0,1,0,0,0,1|2,0,0]=4 8444 B14R1.14 CCCCCNCc1ccc(cn1)Br 34a_100015188789_100000718602 [0,1,0,0,0,1|2,0,0]=4 8445 B14R1.14 CCCCCNCc1ccc(cn1)C 207a_100000209983_100000050478 [0,1,0,0,0,1|2,0,0]=4 8446 B14R1.14 CCCCCNCc1ccc(cn1)C 2230a_100000209983_100000691093 [0,1,0,0,0,1|2,0,0]=4 8447 B14R1.14 CCCCCNCc1ccc(cn1)C 270004a_100000209983_100000050478 [0,1,0,0,0,1|2,0,0]=4 8448 B14R1.14 CCCCCNCc1ccc(cn1)C 34a_100015187455_100000718602 [0,1,0,0,0,1|2,0,0]=4 8449 B14R1.14 CCCCCNCc1ccc(cn1)Cl 207a_100000209983_100011361569 [0,1,0,0,0,1|2,0,0]=4 8450 B14R1.14 CCCCCNCc1ccc(cn1)Cl 2230a_100000209983_100012066911 [0,1,0,0,0,1|2,0,0]=4 8451 B14R1.14 CCCCCNCc1ccc(cn1)Cl 270004a_100000209983_100011361569 [0,1,0,0,0,1|2,0,0]=4 8452 B14R1.14 CCCCCNCc1ccc(cn1)Cl 34a_100000697193_100000718602 [0,1,0,0,0,1|2,0,0]=4 8453 B14R1.14 CCCCCNCc1ccc(cn1)F 207a_100000209983_100011934744 [0,1,0,0,0,1|2,0,0]=4 8454 B14R1.14 CCCCCNCc1ccc(cn1)F 2230a_100000209983_100000703193 [0,1,0,0,0,1|2,0,0]=4 8455 B14R1.14 CCCCCNCc1ccc(cn1)F 270004a_100000209983_100011934744 [0,1,0,0,0,1|2,0,0]=4 8456 B14R1.14 CCCCCNCc1ccc(cn1)F 34a_100020620131_100000718602 [0,1,0,0,0,1|2,0,0]=4 8457 B14R1.14 CCCCCNCc1ccc(nc1)Br 2230a_100000209983_100009831999 [0,1,0,0,0,1|2,0,0]=4 8458 B14R1.14 CCCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210326 [0,1,0,0,0,1|2,0,0]=4 8459 B14R1.14 CCCCCNCc1ccc(nc1)Br 34a_100009817727_100000718602 [0,1,0,0,0,1|2,0,0]=4 8460 B14R1.14 CCCCCNCc1ccc(nc1)C 2230a_100000209983_100016987292 [0,1,0,0,0,1|2,0,0]=4 8461 B14R1.14 CCCCCNCc1ccc(nc1)C 270004a_100000209983_100000743784 [0,1,0,0,0,1|2,0,0]=4 8462 B14R1.14 CCCCCNCc1ccc(nc1)C 34a_100000740942_100000718602 [0,1,0,0,0,1|2,0,0]=4 8463 B14R1.14 CCCCCNCc1ccc(nc1)Cl 2230a_100000209983_100000735431 [0,1,0,0,0,1|2,0,0]=4 8464 B14R1.14 CCCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210326 [0,1,0,0,0,1|2,0,0]=4 8465 B14R1.14 CCCCCNCc1ccc(nc1)Cl 34a_100000735879_100000718602 [0,1,0,0,0,1|2,0,0]=4 8466 B14R1.14 CCCCCNCc1ccc(nc1)F 2230a_100000101913_100000210326 [0,1,0,0,0,1|2,0,0]=4 8467 B14R1.14 CCCCCNCc1ccc(nc1)F 2230a_100000209983_100009820150 [0,1,0,0,0,1|2,0,0]=4 8468 B14R1.14 CCCCCNCc1ccc(nc1)F 34a_100000101913_100000718602 [0,1,0,0,0,1|2,0,0]=4 8469 B14R1.14 CCCCCNCc1ccc(nc1)O 207a_100000209983_100011361521 [0,1,0,0,0,1|2,0,0]=4 8470 B14R1.14 CCCCCNCc1ccc(nc1)O 2230a_100000757128_100000210326 [0,1,0,0,0,1|2,0,0]=4 8471 B14R1.14 CCCCCNCc1ccc(nn1)Cl 2230a_100000209983_100016992710 [0,1,0,0,0,1|2,0,0]=4 8472 B14R1.14 CCCCCNCc1ccc(nn1)Cl 270004a_100000209983_100000044651 [0,1,0,0,0,1|2,0,0]=4 8473 B14R1.14 CCCCCNCc1cnc(cn1)C 2230a_100000209983_100000752025 [0,1,0,0,0,1|2,0,0]=4 8474 B14R1.14 CCCCCNCc1cnc(cn1)C 270004a_100000209983_100000685221 [0,1,0,0,0,1|2,0,0]=4 8475 B14R1.14 CCCCCNCc1cnc(cn1)C 34a_100132314150_100000718602 [0,1,0,0,0,1|2,0,0]=4 8476 B14R1.14 CCCCCNCc1cnc(cn1)Cl 270004a_100000209983_100012001714 [0,1,0,0,0,1|2,0,0]=4 8477 B14R1.14 CCCCCNCc1ncc(cn1)C 2230a_100000209983_100000685645 [0,1,0,0,0,1|2,0,0]=4 8478 B14R1.14 CCCCCOCc1cc[n+](cc1)C 34a_100009831711_100000718602 [0,1,0,0,0,1|2,0,0]=4 8479 B14R1.14 CCCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000718602 [0,1,0,0,0,1|2,0,0]=4 8480 B14R1.14 CCCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210326 [0,1,0,0,0,1|2,0,0]=4 8481 B14R1.14 CCCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000718602 [0,1,0,0,0,1|2,0,0]=4 8482 B14R1.14 CCCCCOCc1ccc(cc1)Br 34a_100000210253_100000189115 [0,1,0,0,0,1|2,0,0]=4 8483 B14R1.14 CCCCCOCc1ccc(cc1)Br 34a_100000695286_100000718602 [0,1,0,0,0,1|2,0,0]=4 8484 B14R1.14 CCCCCOCc1ccc(cc1)Br 7a_100000210253_100011217064 [0,1,0,0,0,1|2,0,0]=4 8485 B14R1.14 CCCCCOCc1ccc(cc1)C 34a_100000210253_100000210814 [0,1,0,0,0,1|2,0,0]=4 8486 B14R1.14 CCCCCOCc1ccc(cc1)C 34a_100011215236_100000718602 [0,1,0,0,0,1|2,0,0]=4 8487 B14R1.14 CCCCCOCc1ccc(cc1)C 7a_100000210253_100000210814 [0,1,0,0,0,1|2,0,0]=4 8488 B14R1.14 CCCCCOCc1ccc(cc1)C 7a_100011215236_100000210326 [0,1,0,0,0,1|2,0,0]=4 8489 B14R1.14 CCCCCOCc1ccc(cc1)Cl 34a_100000210253_100000694040 [0,1,0,0,0,1|2,0,0]=4 8490 B14R1.14 CCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000718602 [0,1,0,0,0,1|2,0,0]=4 8491 B14R1.14 CCCCCOCc1ccc(cc1)Cl 7a_100000210253_100000187161 [0,1,0,0,0,1|2,0,0]=4 8492 B14R1.14 CCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210326 [0,1,0,0,0,1|2,0,0]=4 8493 B14R1.14 CCCCCOCc1ccc(cc1)F 34a_100000210253_100000198546 [0,1,0,0,0,1|2,0,0]=4 8494 B14R1.14 CCCCCOCc1ccc(cc1)F 34a_100000210977_100000718602 [0,1,0,0,0,1|2,0,0]=4 8495 B14R1.14 CCCCCOCc1ccc(cc1)F 7a_100000210253_100000198546 [0,1,0,0,0,1|2,0,0]=4 8496 B14R1.14 CCCCCOCc1ccc(cc1)F 7a_100000210977_100000210326 [0,1,0,0,0,1|2,0,0]=4 8497 B14R1.14 CCCCCOCc1ccc(cc1)I 34a_100000210253_100000189116 [0,1,0,0,0,1|2,0,0]=4 8498 B14R1.14 CCCCCOCc1ccc(cc1)I 34a_100000690907_100000718602 [0,1,0,0,0,1|2,0,0]=4 8499 B14R1.14 CCCCCOCc1ccc(cc1)I 7a_100000210253_100000189116 [0,1,0,0,0,1|2,0,0]=4 8500 B14R1.14 CCCCCOCc1ccc(cc1)I 7a_100000690907_100000210326 [0,1,0,0,0,1|2,0,0]=4 8501 B14R1.14 CCCCCOCc1ccc(cc1)N 34a_100011215238_100000718602 [0,1,0,0,0,1|2,0,0]=4 8502 B14R1.14 CCCCCOCc1ccc(cn1)Br 34a_100000210253_100000702658 [0,1,0,0,0,1|2,0,0]=4 8503 B14R1.14 CCCCCOCc1ccc(cn1)Br 34a_100000754261_100000718602 [0,1,0,0,0,1|2,0,0]=4 8504 B14R1.14 CCCCCOCc1ccc(cn1)Br 7a_100000210253_100000702658 [0,1,0,0,0,1|2,0,0]=4 8505 B14R1.14 CCCCCOCc1ccc(cn1)C 34a_100000210253_100000691093 [0,1,0,0,0,1|2,0,0]=4 8506 B14R1.14 CCCCCOCc1ccc(cn1)C 34a_100012001401_100000718602 [0,1,0,0,0,1|2,0,0]=4 8507 B14R1.14 CCCCCOCc1ccc(cn1)C 7a_100000210253_100000691093 [0,1,0,0,0,1|2,0,0]=4 8508 B14R1.14 CCCCCOCc1ccc(cn1)Cl 34a_100000210253_100012066911 [0,1,0,0,0,1|2,0,0]=4 8509 B14R1.14 CCCCCOCc1ccc(cn1)Cl 34a_100000703999_100000718602 [0,1,0,0,0,1|2,0,0]=4 8510 B14R1.14 CCCCCOCc1ccc(cn1)Cl 7a_100000210253_100012066911 [0,1,0,0,0,1|2,0,0]=4 8511 B14R1.14 CCCCCOCc1ccc(cn1)F 34a_100000210253_100000703193 [0,1,0,0,0,1|2,0,0]=4 8512 B14R1.14 CCCCCOCc1ccc(cn1)F 34a_100011999454_100000718602 [0,1,0,0,0,1|2,0,0]=4 8513 B14R1.14 CCCCCOCc1ccc(cn1)F 7a_100000210253_100000703193 [0,1,0,0,0,1|2,0,0]=4 8514 B14R1.14 CCCCCOCc1ccc(cn1)N 34a_100011998161_100000718602 [0,1,0,0,0,1|2,0,0]=4 8515 B14R1.14 CCCCCOCc1ccc(nc1)Br 34a_100000210253_100009831999 [0,1,0,0,0,1|2,0,0]=4 8516 B14R1.14 CCCCCOCc1ccc(nc1)Br 34a_100009816760_100000718602 [0,1,0,0,0,1|2,0,0]=4 8517 B14R1.14 CCCCCOCc1ccc(nc1)Br 7a_100000210253_100009831999 [0,1,0,0,0,1|2,0,0]=4 8518 B14R1.14 CCCCCOCc1ccc(nc1)Br 7a_100009816760_100000210326 [0,1,0,0,0,1|2,0,0]=4 8519 B14R1.14 CCCCCOCc1ccc(nc1)C 34a_100000210253_100016987292 [0,1,0,0,0,1|2,0,0]=4 8520 B14R1.14 CCCCCOCc1ccc(nc1)C 34a_100011248133_100000718602 [0,1,0,0,0,1|2,0,0]=4 8521 B14R1.14 CCCCCOCc1ccc(nc1)C 7a_100000210253_100016987292 [0,1,0,0,0,1|2,0,0]=4 8522 B14R1.14 CCCCCOCc1ccc(nc1)Cl 34a_100000210253_100000735431 [0,1,0,0,0,1|2,0,0]=4 8523 B14R1.14 CCCCCOCc1ccc(nc1)Cl 34a_100000755211_100000718602 [0,1,0,0,0,1|2,0,0]=4 8524 B14R1.14 CCCCCOCc1ccc(nc1)Cl 7a_100000210253_100000735431 [0,1,0,0,0,1|2,0,0]=4 8525 B14R1.14 CCCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210326 [0,1,0,0,0,1|2,0,0]=4 8526 B14R1.14 CCCCCOCc1ccc(nc1)F 34a_100000079959_100000718602 [0,1,0,0,0,1|2,0,0]=4 8527 B14R1.14 CCCCCOCc1ccc(nc1)F 34a_100000210253_100000099788 [0,1,0,0,0,1|2,0,0]=4 8528 B14R1.14 CCCCCOCc1ccc(nc1)F 7a_100000210253_100009820150 [0,1,0,0,0,1|2,0,0]=4 8529 B14R1.14 CCCCCOCc1ccc(nc1)N 34a_100000704267_100000718602 [0,1,0,0,0,1|2,0,0]=4 8530 B14R1.14 CCCCCOCc1ccc(nn1)Cl 34a_100000210253_100016992710 [0,1,0,0,0,1|2,0,0]=4 8531 B14R1.14 CCCCCOCc1ccc(nn1)Cl 7a_100000210253_100016992710 [0,1,0,0,0,1|2,0,0]=4 8532 B14R1.14 CCCCCOCc1cnc(cn1)C 34a_100011273949_100000718602 [0,1,0,0,0,1|2,0,0]=4 8533 B14R1.14 CCCCCOCc1cnc(cn1)C 7a_100000210253_100000752025 [0,1,0,0,0,1|2,0,0]=4 8534 B14R1.14 CCCCCOCc1cnc(cn1)Cl 34a_100012002382_100000718602 [0,1,0,0,0,1|2,0,0]=4 8535 B14R1.14 CCCCCOCc1ncc(cn1)Br 34a_100000210253_100010064664 [0,1,0,0,0,1|2,0,0]=4 8536 B14R1.14 CCCCCOCc1ncc(cn1)Br 7a_100000210253_100010064664 [0,1,0,0,0,1|2,0,0]=4 8537 B14R1.14 CCCCCOCc1ncc(cn1)C 34a_100000210253_100000685645 [0,1,0,0,0,1|2,0,0]=4 8538 B14R1.14 CCCCCOCc1ncc(cn1)C 7a_100000210253_100000685645 [0,1,0,0,0,1|2,0,0]=4 8539 B14R1.14 CCCCCSCc1ccc(cc1)Br 62a_100000189115_100000210326 [0,1,0,0,0,1|2,0,0]=4 8540 B14R1.14 CCCCCSCc1ccc(cc1)Br 62a_100000210326_100000189115 [0,1,0,0,0,1|2,0,0]=4 8541 B14R1.14 CCCCCSCc1ccc(cc1)C 62a_100000210326_100000210814 [0,1,0,0,0,1|2,0,0]=4 8542 B14R1.14 CCCCCSCc1ccc(cc1)C 62a_100000210814_100000210326 [0,1,0,0,0,1|2,0,0]=4 8543 B14R1.14 CCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210326 [0,1,0,0,0,1|2,0,0]=4 8544 B14R1.14 CCCCCSCc1ccc(cc1)Cl 62a_100000210326_100000187161 [0,1,0,0,0,1|2,0,0]=4 8545 B14R1.14 CCCCCSCc1ccc(cc1)F 62a_100000198546_100000210326 [0,1,0,0,0,1|2,0,0]=4 8546 B14R1.14 CCCCCSCc1ccc(cc1)F 62a_100000210326_100000187164 [0,1,0,0,0,1|2,0,0]=4 8547 B14R1.14 CCCCCSCc1ccc(cc1)I 62a_100000189116_100000210326 [0,1,0,0,0,1|2,0,0]=4 8548 B14R1.14 CCCCCSCc1ccc(cc1)I 62a_100000210326_100000189116 [0,1,0,0,0,1|2,0,0]=4 8549 B14R1.14 CCCCCSCc1ccc(cn1)Br 62a_100000210326_100000702658 [0,1,0,0,0,1|2,0,0]=4 8550 B14R1.14 CCCCCSCc1ccc(cn1)Br 62a_100000702658_100000210326 [0,1,0,0,0,1|2,0,0]=4 8551 B14R1.14 CCCCCSCc1ccc(cn1)C 62a_100000210326_100000691093 [0,1,0,0,0,1|2,0,0]=4 8552 B14R1.14 CCCCCSCc1ccc(cn1)C 62a_100000691093_100000210326 [0,1,0,0,0,1|2,0,0]=4 8553 B14R1.14 CCCCCSCc1ccc(cn1)Cl 62a_100000210326_100000697101 [0,1,0,0,0,1|2,0,0]=4 8554 B14R1.14 CCCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210326 [0,1,0,0,0,1|2,0,0]=4 8555 B14R1.14 CCCCCSCc1ccc(cn1)F 62a_100000210326_100000703193 [0,1,0,0,0,1|2,0,0]=4 8556 B14R1.14 CCCCCSCc1ccc(cn1)F 62a_100000703193_100000210326 [0,1,0,0,0,1|2,0,0]=4 8557 B14R1.14 CCCCCSCc1ccc(nc1)Br 62a_100000210326_100009831999 [0,1,0,0,0,1|2,0,0]=4 8558 B14R1.14 CCCCCSCc1ccc(nc1)Br 62a_100009831999_100000210326 [0,1,0,0,0,1|2,0,0]=4 8559 B14R1.14 CCCCCSCc1ccc(nc1)C 62a_100000210326_100016987292 [0,1,0,0,0,1|2,0,0]=4 8560 B14R1.14 CCCCCSCc1ccc(nc1)C 62a_100016987292_100000210326 [0,1,0,0,0,1|2,0,0]=4 8561 B14R1.14 CCCCCSCc1ccc(nc1)Cl 62a_100000210326_100000735431 [0,1,0,0,0,1|2,0,0]=4 8562 B14R1.14 CCCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210326 [0,1,0,0,0,1|2,0,0]=4 8563 B14R1.14 CCCCCSCc1ccc(nc1)F 62a_100000210326_100000099788 [0,1,0,0,0,1|2,0,0]=4 8564 B14R1.14 CCCCCSCc1ccc(nc1)F 62a_100009820150_100000210326 [0,1,0,0,0,1|2,0,0]=4 8565 B14R1.14 CCCCCSCc1ccc(nn1)Cl 62a_100000210326_100016992710 [0,1,0,0,0,1|2,0,0]=4 8566 B14R1.14 CCCCCSCc1ccc(nn1)Cl 62a_100016992710_100000210326 [0,1,0,0,0,1|2,0,0]=4 8567 B14R1.14 CCCCCSCc1cnc(cn1)C 62a_100000210326_100000752025 [0,1,0,0,0,1|2,0,0]=4 8568 B14R1.14 CCCCCSCc1cnc(cn1)C 62a_100000752025_100000210326 [0,1,0,0,0,1|2,0,0]=4 8569 B14R1.14 CCCCCSCc1ncc(cn1)Br 62a_100000210326_100010064664 [0,1,0,0,0,1|2,0,0]=4 8570 B14R1.14 CCCCCSCc1ncc(cn1)Br 62a_100010064664_100000210326 [0,1,0,0,0,1|2,0,0]=4 8571 B14R1.14 CCCCCSCc1ncc(cn1)C 62a_100000210326_100000685645 [0,1,0,0,0,1|2,0,0]=4 8572 B14R1.14 CCCCCSCc1ncc(cn1)C 62a_100000685645_100000210326 [0,1,0,0,0,1|2,0,0]=4 8573 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000102301_100011740612 [0,1,0,0,0,1|2,0,0]=4 8574 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210211 [0,1,0,0,0,1|2,0,0]=4 8575 B14R1.14 CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000210210 [0,1,0,0,0,1|2,0,0]=4 8576 B14R1.14 CCCCNCCc1ccc(cc1)Br 7a_106832991798_100011740612 [0,1,0,0,0,1|2,0,0]=4 8577 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000102301_100011713686 [0,1,0,0,0,1|2,0,0]=4 8578 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210211 [0,1,0,0,0,1|2,0,0]=4 8579 B14R1.14 CCCCNCCc1ccc(cc1)C 34a_100000705350_100000210210 [0,1,0,0,0,1|2,0,0]=4 8580 B14R1.14 CCCCNCCc1ccc(cc1)C 7a_106832991798_100011713686 [0,1,0,0,0,1|2,0,0]=4 8581 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000102301_100011713675 [0,1,0,0,0,1|2,0,0]=4 8582 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210211 [0,1,0,0,0,1|2,0,0]=4 8583 B14R1.14 CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210210 [0,1,0,0,0,1|2,0,0]=4 8584 B14R1.14 CCCCNCCc1ccc(cc1)Cl 7a_106832991798_100011713675 [0,1,0,0,0,1|2,0,0]=4 8585 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000102301_100011217392 [0,1,0,0,0,1|2,0,0]=4 8586 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210211 [0,1,0,0,0,1|2,0,0]=4 8587 B14R1.14 CCCCNCCc1ccc(cc1)F 34a_100000199005_100000210210 [0,1,0,0,0,1|2,0,0]=4 8588 B14R1.14 CCCCNCCc1ccc(cc1)F 7a_106832991798_100011217392 [0,1,0,0,0,1|2,0,0]=4 8589 B14R1.14 CCCCNCCc1ccc(cc1)O 2230a_100000102301_100009816426 [0,1,0,0,0,1|2,0,0]=4 8590 B14R1.14 CCCCNCCc1ccc(cc1)O 34a_100000743037_100000210210 [0,1,0,0,0,1|2,0,0]=4 8591 B14R1.14 CCCCNCCc1ccc(cc1)O 7a_106832991798_100009816426 [0,1,0,0,0,1|2,0,0]=4 8592 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000210227_100011740612 [0,1,0,0,0,1|2,0,0]=4 8593 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000766406_100000210210 [0,1,0,0,0,1|2,0,0]=4 8594 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000210227_100011740612 [0,1,0,0,0,1|2,0,0]=4 8595 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210211 [0,1,0,0,0,1|2,0,0]=4 8596 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000210227_100011713686 [0,1,0,0,0,1|2,0,0]=4 8597 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000756670_100000210210 [0,1,0,0,0,1|2,0,0]=4 8598 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000210227_100011713686 [0,1,0,0,0,1|2,0,0]=4 8599 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000756670_100000210211 [0,1,0,0,0,1|2,0,0]=4 8600 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100000210227_100011713675 [0,1,0,0,0,1|2,0,0]=4 8601 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210210 [0,1,0,0,0,1|2,0,0]=4 8602 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100000210227_100011713675 [0,1,0,0,0,1|2,0,0]=4 8603 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210211 [0,1,0,0,0,1|2,0,0]=4 8604 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000210227_100011217392 [0,1,0,0,0,1|2,0,0]=4 8605 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000754732_100000210210 [0,1,0,0,0,1|2,0,0]=4 8606 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000210227_100011217392 [0,1,0,0,0,1|2,0,0]=4 8607 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000754732_100000210211 [0,1,0,0,0,1|2,0,0]=4 8608 B14R1.14 CCCCOCCc1ccc(cc1)I 34a_100012291149_100000210210 [0,1,0,0,0,1|2,0,0]=4 8609 B14R1.14 CCCCOCCc1ccc(cc1)I 7a_100012291149_100000210211 [0,1,0,0,0,1|2,0,0]=4 8610 B14R1.14 CCCCOCCc1ccc(cc1)N 34a_100011204434_100000210210 [0,1,0,0,0,1|2,0,0]=4 8611 B14R1.14 CCCCOCCc1ccc(cc1)O 7a_100000210227_100009816426 [0,1,0,0,0,1|2,0,0]=4 8612 B14R1.14 CCCCOCCc1ccc(cn1)Br 34a_100012357577_100000210210 [0,1,0,0,0,1|2,0,0]=4 8613 B14R1.14 CCCCOCCc1ccc(nc1)C 34a_100011815783_100000210210 [0,1,0,0,0,1|2,0,0]=4 8614 B14R1.14 CCCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210210 [0,1,0,0,0,1|2,0,0]=4 8615 B14R1.14 CCCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210211 [0,1,0,0,0,1|2,0,0]=4 8616 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100000210211_100011740612 [0,1,0,0,0,1|2,0,0]=4 8617 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210210 [0,1,0,0,0,1|2,0,0]=4 8618 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100000210211_100011713686 [0,1,0,0,0,1|2,0,0]=4 8619 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100011713686_100000210210 [0,1,0,0,0,1|2,0,0]=4 8620 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100000210211_100011713675 [0,1,0,0,0,1|2,0,0]=4 8621 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210210 [0,1,0,0,0,1|2,0,0]=4 8622 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100000210211_100011217392 [0,1,0,0,0,1|2,0,0]=4 8623 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100011217392_100000210210 [0,1,0,0,0,1|2,0,0]=4 8624 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100000210211_100009816426 [0,1,0,0,0,1|2,0,0]=4 8625 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100009816426_100000210210 [0,1,0,0,0,1|2,0,0]=4 8626 B14R1.14 CCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210303 [0,1,0,0,0,1|2,0,0]=4 8627 B14R1.14 CCCNCCCc1ccc(cc1)Br 34a_100011297623_100000210303 [0,1,0,0,0,1|2,0,0]=4 8628 B14R1.14 CCCNCCCc1ccc(cc1)C 2230a_100011236272_100000210303 [0,1,0,0,0,1|2,0,0]=4 8629 B14R1.14 CCCNCCCc1ccc(cc1)C 34a_100011236272_100000210303 [0,1,0,0,0,1|2,0,0]=4 8630 B14R1.14 CCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210303 [0,1,0,0,0,1|2,0,0]=4 8631 B14R1.14 CCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210303 [0,1,0,0,0,1|2,0,0]=4 8632 B14R1.14 CCCNCCCc1ccc(cc1)F 2230a_100025745824_100000210303 [0,1,0,0,0,1|2,0,0]=4 8633 B14R1.14 CCCNCCCc1ccc(cc1)F 34a_100025745824_100000210303 [0,1,0,0,0,1|2,0,0]=4 8634 B14R1.14 CCCOCCCc1ccc(cc1)Br 34a_100000210258_100011713682 [0,1,0,0,0,1|2,0,0]=4 8635 B14R1.14 CCCOCCCc1ccc(cc1)Br 34a_100011709247_100000210303 [0,1,0,0,0,1|2,0,0]=4 8636 B14R1.14 CCCOCCCc1ccc(cc1)Br 7a_100011709247_100000210303 [0,1,0,0,0,1|2,0,0]=4 8637 B14R1.14 CCCOCCCc1ccc(cc1)C 34a_100000189427_100000210303 [0,1,0,0,0,1|2,0,0]=4 8638 B14R1.14 CCCOCCCc1ccc(cc1)C 7a_100000189427_100000210303 [0,1,0,0,0,1|2,0,0]=4 8639 B14R1.14 CCCOCCCc1ccc(cc1)Cl 34a_100000210258_100000759440 [0,1,0,0,0,1|2,0,0]=4 8640 B14R1.14 CCCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210303 [0,1,0,0,0,1|2,0,0]=4 8641 B14R1.14 CCCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210303 [0,1,0,0,0,1|2,0,0]=4 8642 B14R1.14 CCCOCCCc1ccc(cc1)F 34a_100000210258_200011713563 [0,1,0,0,0,1|2,0,0]=4 8643 B14R1.14 CCCOCCCc1ccc(cc1)F 34a_100000757351_100000210303 [0,1,0,0,0,1|2,0,0]=4 8644 B14R1.14 CCCOCCCc1ccc(cc1)F 7a_100000757351_100000210303 [0,1,0,0,0,1|2,0,0]=4 8645 B14R1.14 CCCSCCCc1ccc(cc1)Br 62a_100000210303_100011713682 [0,1,0,0,0,1|2,0,0]=4 8646 B14R1.14 CCCSCCCc1ccc(cc1)Br 62a_100011713682_100000210303 [0,1,0,0,0,1|2,0,0]=4 8647 B14R1.14 CCCSCCCc1ccc(cc1)Cl 62a_100000210303_100000759440 [0,1,0,0,0,1|2,0,0]=4 8648 B14R1.14 CCCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210303 [0,1,0,0,0,1|2,0,0]=4 8649 B14R1.14 CCCSCCCc1ccc(cc1)F 62a_100000210303_200011713563 [0,1,0,0,0,1|2,0,0]=4 8650 B14R1.14 CCCSCCCc1ccc(cc1)F 62a_200011713563_100000210303 [0,1,0,0,0,1|2,0,0]=4 8651 B14R1.14 CCNCCCCc1ccc(cc1)Br 2230a_100015525214_200012094861 [0,1,0,0,0,1|2,0,0]=4 8652 B14R1.14 CCNCCCCc1ccc(cc1)Cl 2230a_100160821348_100000210202 [0,1,0,0,0,1|2,0,0]=4 8653 B14R1.14 CCNCCCCc1ccc(cc1)Cl 34a_100160821348_100000210202 [0,1,0,0,0,1|2,0,0]=4 8654 B14R1.14 CCNCCCCc1ccc(cc1)F 2230a_100015525214_100012093538 [0,1,0,0,0,1|2,0,0]=4 8655 B14R1.14 CCOCCCCc1ccc(cc1)Br 34a_100121572206_200012094861 [0,1,0,0,0,1|2,0,0]=4 8656 B14R1.14 CCOCCCCc1ccc(cc1)F 34a_100121572206_100012093538 [0,1,0,0,0,1|2,0,0]=4 8657 B14R1.14 CCSCCCCc1ccc(cc1)Br 62a_100000210202_200012094861 [0,1,0,0,0,1|2,0,0]=4 8658 B14R1.14 CCSCCCCc1ccc(cc1)Br 62a_200012094861_100000210202 [0,1,0,0,0,1|2,0,0]=4 8659 B14R1.14 CCSCCCCc1ccc(cc1)F 62a_100000210202_100012093538 [0,1,0,0,0,1|2,0,0]=4 8660 B14R1.14 CCSCCCCc1ccc(cc1)F 62a_100012093538_100000210202 [0,1,0,0,0,1|2,0,0]=4 8661 B14R1.26 CCCCCCNc1c[n+](ccn1)[O-] 27a_100000210581_100009880115 [0,1,0,0,0,1|2,0,0]=4 8662 B14R1.26 CCCCCCNc1cc(ccn1)F 27a_100000210581_100000764206 [0,1,0,0,0,1|2,0,0]=4 8663 B14R1.26 CCCCCCNc1cc(cnn1)C 27a_100000210581_100000070100 [0,1,0,0,0,1|2,0,0]=4 8664 B14R1.26 CCCCCCNc1cc(ncn1)C 27a_100000210581_100000744208 [0,1,0,0,0,1|2,0,0]=4 8665 B14R1.26 CCCCCCNc1cc(ncn1)F 27a_100000210581_200009880791 [0,1,0,0,0,1|2,0,0]=4 8666 B14R1.26 CCCCCCNc1cc(ncn1)N 27a_100000210581_100000701291 [0,1,0,0,0,1|2,0,0]=4 8667 B14R1.26 CCCCCCNc1cc(ncn1)O 27a_100000210581_100000765262 [0,1,0,0,0,1|2,0,0]=4 8668 B14R1.26 CCCCCCNc1cc[nH]c(=O)c1 27a_100000210581_100000061649 [0,1,0,0,0,1|2,0,0]=4 8669 B14R1.26 CCCCCCNc1cc[nH]c(=O)n1 27a_100000210581_200000134032 [0,1,0,0,0,1|2,0,0]=4 8670 B14R1.26 CCCCCCNc1cccc(c1)Br 34a_100000210019_100000210314 [0,1,0,0,0,1|2,0,0]=4 8671 B14R1.26 CCCCCCNc1cccc(c1)C 2230a_100000188690_100000210314 [0,1,0,0,0,1|2,0,0]=4 8672 B14R1.26 CCCCCCNc1cccc(c1)C 34a_100000188690_100000210314 [0,1,0,0,0,1|2,0,0]=4 8673 B14R1.26 CCCCCCNc1cccc(c1)Cl 34a_100000185859_100000210314 [0,1,0,0,0,1|2,0,0]=4 8674 B14R1.26 CCCCCCNc1cccc(c1)F 34a_100000210047_100000210314 [0,1,0,0,0,1|2,0,0]=4 8675 B14R1.26 CCCCCCNc1cccc(c1)I 34a_100000211102_100000210314 [0,1,0,0,0,1|2,0,0]=4 8676 B14R1.26 CCCCCCNc1cccc(c1)O 34a_100000210217_100000210314 [0,1,0,0,0,1|2,0,0]=4 8677 B14R1.26 CCCCCCNc1cccc(n1)F 27a_100000210581_100009815982 [0,1,0,0,0,1|2,0,0]=4 8678 B14R1.26 CCCCCCNc1ccnc(c1)C 27a_100000210581_100000758586 [0,1,0,0,0,1|2,0,0]=4 8679 B14R1.26 CCCCCCNc1ccnc(c1)F 27a_100000210581_100009816116 [0,1,0,0,0,1|2,0,0]=4 8680 B14R1.26 CCCCCCNc1ccnc(n1)C 27a_100000210581_100000749937 [0,1,0,0,0,1|2,0,0]=4 8681 B14R1.26 CCCCCCNc1ccnc(n1)N 27a_100000210581_100000055538 [0,1,0,0,0,1|2,0,0]=4 8682 B14R1.26 CCCCCCNc1cncc(n1)C 27a_100000210581_100000754123 [0,1,0,0,0,1|2,0,0]=4 8683 B14R1.26 CCCCCCNc1cncc(n1)Cl 27a_100000210581_100010892449 [0,1,0,0,0,1|2,0,0]=4 8684 B14R1.26 CCCCCCNc1cncc(n1)F 27a_100000210581_200009863489 [0,1,0,0,0,1|2,0,0]=4 8685 B14R1.26 CCCCCCNc1nccc(n1)C 27a_100000210581_100000750684 [0,1,0,0,0,1|2,0,0]=4 8686 B14R1.26 CCCCCCNc1nccc(n1)N 27a_100000210581_100000757536 [0,1,0,0,0,1|2,0,0]=4 8687 B14R1.26 CCCCCCNc1nccc(n1)O 27a_100000210581_100011649813 [0,1,0,0,0,1|2,0,0]=4 8688 B14R1.26 CCCCCCOc1cc(cnn1)C 34a_100000766097_100000210314 [0,1,0,0,0,1|2,0,0]=4 8689 B14R1.26 CCCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210314 [0,1,0,0,0,1|2,0,0]=4 8690 B14R1.26 CCCCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210314 [0,1,0,0,0,1|2,0,0]=4 8691 B14R1.26 CCCCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210314 [0,1,0,0,0,1|2,0,0]=4 8692 B14R1.26 CCCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210314 [0,1,0,0,0,1|2,0,0]=4 8693 B14R1.26 CCCCCCOc1cccc(c1)Br 34a_100000210342_100000210314 [0,1,0,0,0,1|2,0,0]=4 8694 B14R1.26 CCCCCCOc1cccc(c1)Br 7a_100000210342_100000210314 [0,1,0,0,0,1|2,0,0]=4 8695 B14R1.26 CCCCCCOc1cccc(c1)C 34a_100000210337_100000210314 [0,1,0,0,0,1|2,0,0]=4 8696 B14R1.26 CCCCCCOc1cccc(c1)C 7a_100000210337_100000210314 [0,1,0,0,0,1|2,0,0]=4 8697 B14R1.26 CCCCCCOc1cccc(c1)Cl 34a_100000210295_100000210314 [0,1,0,0,0,1|2,0,0]=4 8698 B14R1.26 CCCCCCOc1cccc(c1)Cl 7a_100000210295_100000210314 [0,1,0,0,0,1|2,0,0]=4 8699 B14R1.26 CCCCCCOc1cccc(c1)F 34a_100000210426_100000210314 [0,1,0,0,0,1|2,0,0]=4 8700 B14R1.26 CCCCCCOc1cccc(c1)F 7a_100000210426_100000210314 [0,1,0,0,0,1|2,0,0]=4 8701 B14R1.26 CCCCCCOc1cccc(c1)I 34a_100000211634_100000210314 [0,1,0,0,0,1|2,0,0]=4 8702 B14R1.26 CCCCCCOc1cccc(c1)I 7a_100000211634_100000210314 [0,1,0,0,0,1|2,0,0]=4 8703 B14R1.26 CCCCCCOc1cccc(c1)N 34a_100000210217_100000210314 [0,1,0,0,0,1|2,0,0]=4 8704 B14R1.26 CCCCCCOc1cccc(n1)F 34a_100011432558_100000210314 [0,1,0,0,0,1|2,0,0]=4 8705 B14R1.26 CCCCCCOc1ccnc(c1)C 34a_100000688365_100000210314 [0,1,0,0,0,1|2,0,0]=4 8706 B14R1.26 CCCCCCOc1ccnc(c1)Cl 34a_100000762945_100000210314 [0,1,0,0,0,1|2,0,0]=4 8707 B14R1.26 CCCCCCOc1ccnc(c1)F 34a_100000732698_100000210314 [0,1,0,0,0,1|2,0,0]=4 8708 B14R1.26 CCCCCCOc1ccnc(c1)N 34a_100011834064_100000210314 [0,1,0,0,0,1|2,0,0]=4 8709 B14R1.26 CCCCCCOc1cncc(c1)Br 34a_100000754920_100000210314 [0,1,0,0,0,1|2,0,0]=4 8710 B14R1.26 CCCCCCOc1cncc(c1)Br 7a_100000754920_100000210314 [0,1,0,0,0,1|2,0,0]=4 8711 B14R1.26 CCCCCCOc1cncc(c1)C 34a_100011830280_100000210314 [0,1,0,0,0,1|2,0,0]=4 8712 B14R1.26 CCCCCCOc1cncc(c1)C 7a_100011830280_100000210314 [0,1,0,0,0,1|2,0,0]=4 8713 B14R1.26 CCCCCCOc1cncc(c1)Cl 7a_100000032511_100000210314 [0,1,0,0,0,1|2,0,0]=4 8714 B14R1.26 CCCCCCOc1cncc(c1)F 34a_100011830296_100000210314 [0,1,0,0,0,1|2,0,0]=4 8715 B14R1.26 CCCCCCOc1cncc(c1)F 7a_100011830296_100000210314 [0,1,0,0,0,1|2,0,0]=4 8716 B14R1.26 CCCCCCOc1cncc(c1)N 34a_100011997051_100000210314 [0,1,0,0,0,1|2,0,0]=4 8717 B14R1.26 CCCCCCSc1c[n+](ccn1)[O-] 62a_100000210314_100009880115 [0,1,0,0,0,1|2,0,0]=4 8718 B14R1.26 CCCCCCSc1cc(=O)[nH]cn1 62a_100012002517_100000210757 [0,1,0,0,0,1|2,0,0]=4 8719 B14R1.26 CCCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210757 [0,1,0,0,0,1|2,0,0]=4 8720 B14R1.26 CCCCCCSc1cc(ccn1)C 62a_100000210314_100000750283 [0,1,0,0,0,1|2,0,0]=4 8721 B14R1.26 CCCCCCSc1cc(ccn1)C 62a_100000750283_100000210757 [0,1,0,0,0,1|2,0,0]=4 8722 B14R1.26 CCCCCCSc1cc(ccn1)Cl 62a_100000210314_100010167805 [0,1,0,0,0,1|2,0,0]=4 8723 B14R1.26 CCCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210757 [0,1,0,0,0,1|2,0,0]=4 8724 B14R1.26 CCCCCCSc1cc(ccn1)F 62a_100000210314_100000764206 [0,1,0,0,0,1|2,0,0]=4 8725 B14R1.26 CCCCCCSc1cc(ccn1)F 62a_100000764206_100000210757 [0,1,0,0,0,1|2,0,0]=4 8726 B14R1.26 CCCCCCSc1cc(ccn1)N 62a_100000210314_100009814236 [0,1,0,0,0,1|2,0,0]=4 8727 B14R1.26 CCCCCCSc1cc(ccn1)N 62a_100009814236_100000210757 [0,1,0,0,0,1|2,0,0]=4 8728 B14R1.26 CCCCCCSc1cc(ccn1)O 62a_100000210314_100000762945 [0,1,0,0,0,1|2,0,0]=4 8729 B14R1.26 CCCCCCSc1cc(cnn1)C 62a_100000070100_100000210757 [0,1,0,0,0,1|2,0,0]=4 8730 B14R1.26 CCCCCCSc1cc(cnn1)C 62a_100000210314_100000070100 [0,1,0,0,0,1|2,0,0]=4 8731 B14R1.26 CCCCCCSc1cc(cnn1)N 62a_100000210314_100011996757 [0,1,0,0,0,1|2,0,0]=4 8732 B14R1.26 CCCCCCSc1cc(cnn1)N 62a_100011996757_100000210757 [0,1,0,0,0,1|2,0,0]=4 8733 B14R1.26 CCCCCCSc1cc(cnn1)O 62a_100000210314_200010734679 [0,1,0,0,0,1|2,0,0]=4 8734 B14R1.26 CCCCCCSc1cc(ncn1)C 62a_100000210314_100000744208 [0,1,0,0,0,1|2,0,0]=4 8735 B14R1.26 CCCCCCSc1cc(ncn1)C 62a_100000744208_100000210757 [0,1,0,0,0,1|2,0,0]=4 8736 B14R1.26 CCCCCCSc1cc(ncn1)Cl 62a_100000210314_100010161198 [0,1,0,0,0,1|2,0,0]=4 8737 B14R1.26 CCCCCCSc1cc(ncn1)Cl 62a_100010161198_100000210757 [0,1,0,0,0,1|2,0,0]=4 8738 B14R1.26 CCCCCCSc1cc(ncn1)F 62a_100000210314_200009880791 [0,1,0,0,0,1|2,0,0]=4 8739 B14R1.26 CCCCCCSc1cc(ncn1)F 62a_200009880791_100000210757 [0,1,0,0,0,1|2,0,0]=4 8740 B14R1.26 CCCCCCSc1cc(ncn1)N 62a_100000210314_100000701291 [0,1,0,0,0,1|2,0,0]=4 8741 B14R1.26 CCCCCCSc1cc(ncn1)N 62a_100000701291_100000210757 [0,1,0,0,0,1|2,0,0]=4 8742 B14R1.26 CCCCCCSc1cc(ncn1)O 62a_100000210314_100000765262 [0,1,0,0,0,1|2,0,0]=4 8743 B14R1.26 CCCCCCSc1cc[nH]c(=O)c1 62a_100000210314_100009816521 [0,1,0,0,0,1|2,0,0]=4 8744 B14R1.26 CCCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210757 [0,1,0,0,0,1|2,0,0]=4 8745 B14R1.26 CCCCCCSc1cc[nH]c(=O)n1 62a_100000210314_200000134032 [0,1,0,0,0,1|2,0,0]=4 8746 B14R1.26 CCCCCCSc1ccc[n+](c1)C 62a_100000210314_100009996589 [0,1,0,0,0,1|2,0,0]=4 8747 B14R1.26 CCCCCCSc1ccc[n+](c1)C 62a_100009996589_100000210757 [0,1,0,0,0,1|2,0,0]=4 8748 B14R1.26 CCCCCCSc1ccc[n+](c1)[O-] 62a_100000210314_100009815978 [0,1,0,0,0,1|2,0,0]=4 8749 B14R1.26 CCCCCCSc1cccc(=O)[nH]1 62a_100000210314_100000752884 [0,1,0,0,0,1|2,0,0]=4 8750 B14R1.26 CCCCCCSc1cccc(c1)Br 62a_100000210314_100000691529 [0,1,0,0,0,1|2,0,0]=4 8751 B14R1.26 CCCCCCSc1cccc(c1)Br 62a_100000691529_100000210757 [0,1,0,0,0,1|2,0,0]=4 8752 B14R1.26 CCCCCCSc1cccc(c1)C 62a_100000210314_100011215228 [0,1,0,0,0,1|2,0,0]=4 8753 B14R1.26 CCCCCCSc1cccc(c1)C 62a_100011215228_100000210757 [0,1,0,0,0,1|2,0,0]=4 8754 B14R1.26 CCCCCCSc1cccc(c1)Cl 62a_100000210314_100000699651 [0,1,0,0,0,1|2,0,0]=4 8755 B14R1.26 CCCCCCSc1cccc(c1)Cl 62a_100000699651_100000210757 [0,1,0,0,0,1|2,0,0]=4 8756 B14R1.26 CCCCCCSc1cccc(c1)F 62a_100000210314_100000685547 [0,1,0,0,0,1|2,0,0]=4 8757 B14R1.26 CCCCCCSc1cccc(c1)F 62a_100000685547_100000210757 [0,1,0,0,0,1|2,0,0]=4 8758 B14R1.26 CCCCCCSc1cccc(c1)N 62a_100000210019_100000210757 [0,1,0,0,0,1|2,0,0]=4 8759 B14R1.26 CCCCCCSc1cccc(c1)N 62a_100000210314_100000210019 [0,1,0,0,0,1|2,0,0]=4 8760 B14R1.26 CCCCCCSc1cccc(c1)O 62a_100000210314_100000211634 [0,1,0,0,0,1|2,0,0]=4 8761 B14R1.26 CCCCCCSc1cccc(c1)[S] 62a_100000210314_114929384022 [0,1,0,0,0,1|2,0,0]=4 8762 B14R1.26 CCCCCCSc1cccc(c1)[S] 62a_114929384022_100000210757 [0,1,0,0,0,1|2,0,0]=4 8763 B14R1.26 CCCCCCSc1cccc(n1)Br 62a_100000210314_100000684672 [0,1,0,0,0,1|2,0,0]=4 8764 B14R1.26 CCCCCCSc1cccc(n1)Br 62a_100000684672_100000210757 [0,1,0,0,0,1|2,0,0]=4 8765 B14R1.26 CCCCCCSc1cccc(n1)C 62a_100000210314_100000742759 [0,1,0,0,0,1|2,0,0]=4 8766 B14R1.26 CCCCCCSc1cccc(n1)C 62a_100000742759_100000210757 [0,1,0,0,0,1|2,0,0]=4 8767 B14R1.26 CCCCCCSc1cccc(n1)Cl 62a_100000051397_100000210757 [0,1,0,0,0,1|2,0,0]=4 8768 B14R1.26 CCCCCCSc1cccc(n1)Cl 62a_100000210314_100000051397 [0,1,0,0,0,1|2,0,0]=4 8769 B14R1.26 CCCCCCSc1cccc(n1)F 62a_100000210314_100009815982 [0,1,0,0,0,1|2,0,0]=4 8770 B14R1.26 CCCCCCSc1cccc(n1)F 62a_100009815982_100000210757 [0,1,0,0,0,1|2,0,0]=4 8771 B14R1.26 CCCCCCSc1cccc(n1)N 62a_100000210314_100000740741 [0,1,0,0,0,1|2,0,0]=4 8772 B14R1.26 CCCCCCSc1cccc(n1)N 62a_100000740741_100000210757 [0,1,0,0,0,1|2,0,0]=4 8773 B14R1.26 CCCCCCSc1ccnc(c1)Br 62a_100000210314_100009814637 [0,1,0,0,0,1|2,0,0]=4 8774 B14R1.26 CCCCCCSc1ccnc(c1)Br 62a_100009814637_100000210757 [0,1,0,0,0,1|2,0,0]=4 8775 B14R1.26 CCCCCCSc1ccnc(c1)C 62a_100000210314_100000758586 [0,1,0,0,0,1|2,0,0]=4 8776 B14R1.26 CCCCCCSc1ccnc(c1)C 62a_100000758586_100000210757 [0,1,0,0,0,1|2,0,0]=4 8777 B14R1.26 CCCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210757 [0,1,0,0,0,1|2,0,0]=4 8778 B14R1.26 CCCCCCSc1ccnc(c1)Cl 62a_100000210314_100000035001 [0,1,0,0,0,1|2,0,0]=4 8779 B14R1.26 CCCCCCSc1ccnc(c1)F 62a_100000210314_100009816116 [0,1,0,0,0,1|2,0,0]=4 8780 B14R1.26 CCCCCCSc1ccnc(c1)F 62a_100009816116_100000210757 [0,1,0,0,0,1|2,0,0]=4 8781 B14R1.26 CCCCCCSc1ccnc(c1)N 62a_100000049665_100000210757 [0,1,0,0,0,1|2,0,0]=4 8782 B14R1.26 CCCCCCSc1ccnc(c1)N 62a_100000210314_100000049665 [0,1,0,0,0,1|2,0,0]=4 8783 B14R1.26 CCCCCCSc1ccnc(n1)C 62a_100000210314_100000749937 [0,1,0,0,0,1|2,0,0]=4 8784 B14R1.26 CCCCCCSc1ccnc(n1)C 62a_100000749937_100000210757 [0,1,0,0,0,1|2,0,0]=4 8785 B14R1.26 CCCCCCSc1ccnc(n1)Cl 62a_100000210314_100010154678 [0,1,0,0,0,1|2,0,0]=4 8786 B14R1.26 CCCCCCSc1ccnc(n1)Cl 62a_100010154678_100000210757 [0,1,0,0,0,1|2,0,0]=4 8787 B14R1.26 CCCCCCSc1ccnc(n1)N 62a_100000055538_100000210757 [0,1,0,0,0,1|2,0,0]=4 8788 B14R1.26 CCCCCCSc1ccnc(n1)N 62a_100000210314_100000055538 [0,1,0,0,0,1|2,0,0]=4 8789 B14R1.26 CCCCCCSc1cncc(c1)Br 62a_100000210314_100000728054 [0,1,0,0,0,1|2,0,0]=4 8790 B14R1.26 CCCCCCSc1cncc(c1)Br 62a_100000728054_100000210757 [0,1,0,0,0,1|2,0,0]=4 8791 B14R1.26 CCCCCCSc1cncc(c1)C 62a_100000210314_100000760492 [0,1,0,0,0,1|2,0,0]=4 8792 B14R1.26 CCCCCCSc1cncc(c1)C 62a_100000760492_100000210757 [0,1,0,0,0,1|2,0,0]=4 8793 B14R1.26 CCCCCCSc1cncc(c1)Cl 62a_100000049639_100000210757 [0,1,0,0,0,1|2,0,0]=4 8794 B14R1.26 CCCCCCSc1cncc(c1)Cl 62a_100000210314_100000049639 [0,1,0,0,0,1|2,0,0]=4 8795 B14R1.26 CCCCCCSc1cncc(c1)F 62a_100000210314_100000744099 [0,1,0,0,0,1|2,0,0]=4 8796 B14R1.26 CCCCCCSc1cncc(c1)F 62a_100000744099_100000210757 [0,1,0,0,0,1|2,0,0]=4 8797 B14R1.26 CCCCCCSc1cncc(c1)N 62a_100000210314_100000687067 [0,1,0,0,0,1|2,0,0]=4 8798 B14R1.26 CCCCCCSc1cncc(c1)N 62a_100000687067_100000210757 [0,1,0,0,0,1|2,0,0]=4 8799 B14R1.26 CCCCCCSc1cncc(c1)O 62a_100000210314_100000754920 [0,1,0,0,0,1|2,0,0]=4 8800 B14R1.26 CCCCCCSc1cncc(c1)O 62a_100000754920_100000210757 [0,1,0,0,0,1|2,0,0]=4 8801 B14R1.26 CCCCCCSc1cncc(n1)C 62a_100000210314_100000754123 [0,1,0,0,0,1|2,0,0]=4 8802 B14R1.26 CCCCCCSc1cncc(n1)C 62a_100000754123_100000210757 [0,1,0,0,0,1|2,0,0]=4 8803 B14R1.26 CCCCCCSc1cncc(n1)Cl 62a_100000210314_100010892449 [0,1,0,0,0,1|2,0,0]=4 8804 B14R1.26 CCCCCCSc1cncc(n1)Cl 62a_100010892449_100000210757 [0,1,0,0,0,1|2,0,0]=4 8805 B14R1.26 CCCCCCSc1cncc(n1)F 62a_100000210314_200009863489 [0,1,0,0,0,1|2,0,0]=4 8806 B14R1.26 CCCCCCSc1cncc(n1)F 62a_200009863489_100000210757 [0,1,0,0,0,1|2,0,0]=4 8807 B14R1.26 CCCCCCSc1cncc(n1)N 62a_100000210314_100000747728 [0,1,0,0,0,1|2,0,0]=4 8808 B14R1.26 CCCCCCSc1cncc(n1)N 62a_100000747728_100000210757 [0,1,0,0,0,1|2,0,0]=4 8809 B14R1.26 CCCCCCSc1cncc(n1)O 62a_100000210314_100011269956 [0,1,0,0,0,1|2,0,0]=4 8810 B14R1.26 CCCCCCSc1nccc(n1)C 62a_100000210314_100011243806 [0,1,0,0,0,1|2,0,0]=4 8811 B14R1.26 CCCCCCSc1nccc(n1)C 62a_100011243806_100000210757 [0,1,0,0,0,1|2,0,0]=4 8812 B14R1.26 CCCCCCSc1nccc(n1)N 62a_100000210314_100000757536 [0,1,0,0,0,1|2,0,0]=4 8813 B14R1.26 CCCCCCSc1nccc(n1)N 62a_100000757536_100000210757 [0,1,0,0,0,1|2,0,0]=4 8814 B14R1.26 CCCCCCSc1nccc(n1)O 62a_100000210314_100011649813 [0,1,0,0,0,1|2,0,0]=4 8815 B14R1.26 CCCCCNCc1cc(ccn1)Br 2230a_100000209983_100010173614 [0,1,0,0,0,1|2,0,0]=4 8816 B14R1.26 CCCCCNCc1cc(ccn1)Br 270004a_100000209983_100009818557 [0,1,0,0,0,1|2,0,0]=4 8817 B14R1.26 CCCCCNCc1cc(ccn1)C 207a_100000209983_100011361488 [0,1,0,0,0,1|2,0,0]=4 8818 B14R1.26 CCCCCNCc1cc(ccn1)C 2230a_100000209983_100000718516 [0,1,0,0,0,1|2,0,0]=4 8819 B14R1.26 CCCCCNCc1cc(ccn1)C 270004a_100000209983_100011361488 [0,1,0,0,0,1|2,0,0]=4 8820 B14R1.26 CCCCCNCc1cc(ccn1)Cl 2230a_100000209983_100016988179 [0,1,0,0,0,1|2,0,0]=4 8821 B14R1.26 CCCCCNCc1cc(ccn1)Cl 270004a_100000209983_100011998288 [0,1,0,0,0,1|2,0,0]=4 8822 B14R1.26 CCCCCNCc1cccc(=O)[nH]1 207a_100000209983_100011935257 [0,1,0,0,0,1|2,0,0]=4 8823 B14R1.26 CCCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210326 [0,1,0,0,0,1|2,0,0]=4 8824 B14R1.26 CCCCCNCc1cccc(c1)Br 207a_100000209983_100000210085 [0,1,0,0,0,1|2,0,0]=4 8825 B14R1.26 CCCCCNCc1cccc(c1)Br 2230a_100000174977_100000210326 [0,1,0,0,0,1|2,0,0]=4 8826 B14R1.26 CCCCCNCc1cccc(c1)Br 2230a_100000209983_100000698116 [0,1,0,0,0,1|2,0,0]=4 8827 B14R1.26 CCCCCNCc1cccc(c1)Br 270004a_100000209983_100000210085 [0,1,0,0,0,1|2,0,0]=4 8828 B14R1.26 CCCCCNCc1cccc(c1)Br 34a_100000174977_100000718602 [0,1,0,0,0,1|2,0,0]=4 8829 B14R1.26 CCCCCNCc1cccc(c1)C 207a_100000209983_100000211157 [0,1,0,0,0,1|2,0,0]=4 8830 B14R1.26 CCCCCNCc1cccc(c1)C 2230a_100000185548_100000210326 [0,1,0,0,0,1|2,0,0]=4 8831 B14R1.26 CCCCCNCc1cccc(c1)C 2230a_100000209983_100000211840 [0,1,0,0,0,1|2,0,0]=4 8832 B14R1.26 CCCCCNCc1cccc(c1)C 270004a_100000209983_100000211157 [0,1,0,0,0,1|2,0,0]=4 8833 B14R1.26 CCCCCNCc1cccc(c1)C 34a_100000185548_100000718602 [0,1,0,0,0,1|2,0,0]=4 8834 B14R1.26 CCCCCNCc1cccc(c1)Cl 207a_100000209983_100000210801 [0,1,0,0,0,1|2,0,0]=4 8835 B14R1.26 CCCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210326 [0,1,0,0,0,1|2,0,0]=4 8836 B14R1.26 CCCCCNCc1cccc(c1)Cl 2230a_100000209983_100000181238 [0,1,0,0,0,1|2,0,0]=4 8837 B14R1.26 CCCCCNCc1cccc(c1)Cl 270004a_100000209983_100000210801 [0,1,0,0,0,1|2,0,0]=4 8838 B14R1.26 CCCCCNCc1cccc(c1)Cl 34a_100000174878_100000718602 [0,1,0,0,0,1|2,0,0]=4 8839 B14R1.26 CCCCCNCc1cccc(c1)F 207a_100000209983_100000210812 [0,1,0,0,0,1|2,0,0]=4 8840 B14R1.26 CCCCCNCc1cccc(c1)F 2230a_100000174948_100000210326 [0,1,0,0,0,1|2,0,0]=4 8841 B14R1.26 CCCCCNCc1cccc(c1)F 2230a_100000209983_100000230114 [0,1,0,0,0,1|2,0,0]=4 8842 B14R1.26 CCCCCNCc1cccc(c1)F 270004a_100000209983_100000210812 [0,1,0,0,0,1|2,0,0]=4 8843 B14R1.26 CCCCCNCc1cccc(c1)F 34a_100000174948_100000718602 [0,1,0,0,0,1|2,0,0]=4 8844 B14R1.26 CCCCCNCc1cccc(c1)I 207a_100000209983_100000014684 [0,1,0,0,0,1|2,0,0]=4 8845 B14R1.26 CCCCCNCc1cccc(c1)I 2230a_100000106179_100000210326 [0,1,0,0,0,1|2,0,0]=4 8846 B14R1.26 CCCCCNCc1cccc(c1)I 2230a_100000209983_100011218688 [0,1,0,0,0,1|2,0,0]=4 8847 B14R1.26 CCCCCNCc1cccc(c1)I 270004a_100000209983_100000014684 [0,1,0,0,0,1|2,0,0]=4 8848 B14R1.26 CCCCCNCc1cccc(c1)I 34a_100000106179_100000718602 [0,1,0,0,0,1|2,0,0]=4 8849 B14R1.26 CCCCCNCc1cccc(c1)O 207a_100000209983_100000188321 [0,1,0,0,0,1|2,0,0]=4 8850 B14R1.26 CCCCCNCc1cccc(c1)O 2230a_100000209983_100011660834 [0,1,0,0,0,1|2,0,0]=4 8851 B14R1.26 CCCCCNCc1cccc(c1)O 2230a_100000743036_100000210326 [0,1,0,0,0,1|2,0,0]=4 8852 B14R1.26 CCCCCNCc1cccc(c1)O 270004a_100000209983_100000188321 [0,1,0,0,0,1|2,0,0]=4 8853 B14R1.26 CCCCCNCc1cccc(c1)O 34a_100000743036_100000718602 [0,1,0,0,0,1|2,0,0]=4 8854 B14R1.26 CCCCCNCc1cccc(n1)Br 2230a_100000209983_100009889011 [0,1,0,0,0,1|2,0,0]=4 8855 B14R1.26 CCCCCNCc1cccc(n1)Br 2230a_100016987751_100000210326 [0,1,0,0,0,1|2,0,0]=4 8856 B14R1.26 CCCCCNCc1cccc(n1)Br 270004a_100000209983_100000688028 [0,1,0,0,0,1|2,0,0]=4 8857 B14R1.26 CCCCCNCc1cccc(n1)C 207a_100000209983_100011215050 [0,1,0,0,0,1|2,0,0]=4 8858 B14R1.26 CCCCCNCc1cccc(n1)C 2230a_100000209983_100000757606 [0,1,0,0,0,1|2,0,0]=4 8859 B14R1.26 CCCCCNCc1cccc(n1)C 270004a_100000209983_100011215050 [0,1,0,0,0,1|2,0,0]=4 8860 B14R1.26 CCCCCNCc1cccc(n1)C 34a_100000701342_100000718602 [0,1,0,0,0,1|2,0,0]=4 8861 B14R1.26 CCCCCNCc1cccc(n1)Cl 2230a_100000209983_100000086093 [0,1,0,0,0,1|2,0,0]=4 8862 B14R1.26 CCCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210326 [0,1,0,0,0,1|2,0,0]=4 8863 B14R1.26 CCCCCNCc1cccc(n1)Cl 270004a_100000209983_100011361687 [0,1,0,0,0,1|2,0,0]=4 8864 B14R1.26 CCCCCNCc1cccc(n1)F 2230a_100000209983_100009819644 [0,1,0,0,0,1|2,0,0]=4 8865 B14R1.26 CCCCCNCc1cccc(n1)F 2230a_100015188798_100000210326 [0,1,0,0,0,1|2,0,0]=4 8866 B14R1.26 CCCCCNCc1cccc(n1)F 270004a_100000209983_100000050434 [0,1,0,0,0,1|2,0,0]=4 8867 B14R1.26 CCCCCNCc1cccc(n1)F 34a_100015188798_100000718602 [0,1,0,0,0,1|2,0,0]=4 8868 B14R1.26 CCCCCNCc1ccnc(c1)Br 2230a_100000209983_100010243470 [0,1,0,0,0,1|2,0,0]=4 8869 B14R1.26 CCCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210326 [0,1,0,0,0,1|2,0,0]=4 8870 B14R1.26 CCCCCNCc1ccnc(c1)Br 270004a_100000209983_100009814634 [0,1,0,0,0,1|2,0,0]=4 8871 B14R1.26 CCCCCNCc1ccnc(c1)Br 34a_100025757509_100000718602 [0,1,0,0,0,1|2,0,0]=4 8872 B14R1.26 CCCCCNCc1ccnc(c1)C 207a_100000209983_100011361630 [0,1,0,0,0,1|2,0,0]=4 8873 B14R1.26 CCCCCNCc1ccnc(c1)C 2230a_100000209983_200020672517 [0,1,0,0,0,1|2,0,0]=4 8874 B14R1.26 CCCCCNCc1ccnc(c1)C 270004a_100000209983_100011361630 [0,1,0,0,0,1|2,0,0]=4 8875 B14R1.26 CCCCCNCc1ccnc(c1)C 34a_100011934566_100000718602 [0,1,0,0,0,1|2,0,0]=4 8876 B14R1.26 CCCCCNCc1ccnc(c1)Cl 2230a_100000209983_100000764220 [0,1,0,0,0,1|2,0,0]=4 8877 B14R1.26 CCCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210326 [0,1,0,0,0,1|2,0,0]=4 8878 B14R1.26 CCCCCNCc1ccnc(c1)Cl 270004a_100000209983_100011290808 [0,1,0,0,0,1|2,0,0]=4 8879 B14R1.26 CCCCCNCc1ccnc(c1)Cl 34a_100015205668_100000718602 [0,1,0,0,0,1|2,0,0]=4 8880 B14R1.26 CCCCCNCc1ccnc(c1)F 2230a_100015188774_100000210326 [0,1,0,0,0,1|2,0,0]=4 8881 B14R1.26 CCCCCNCc1ccnc(c1)F 270004a_100000209983_100000068331 [0,1,0,0,0,1|2,0,0]=4 8882 B14R1.26 CCCCCNCc1ccnc(c1)F 34a_100015188774_100000718602 [0,1,0,0,0,1|2,0,0]=4 8883 B14R1.26 CCCCCNCc1ccnc(c1)O 207a_100000209983_100000688113 [0,1,0,0,0,1|2,0,0]=4 8884 B14R1.26 CCCCCNCc1ccnc(n1)C 270004a_100000209983_100011361539 [0,1,0,0,0,1|2,0,0]=4 8885 B14R1.26 CCCCCNCc1ccnc(n1)Cl 2230a_100000209983_100000099655 [0,1,0,0,0,1|2,0,0]=4 8886 B14R1.26 CCCCCNCc1cncc(c1)Br 207a_100000209983_100000687066 [0,1,0,0,0,1|2,0,0]=4 8887 B14R1.26 CCCCCNCc1cncc(c1)Br 2230a_100000209983_100000738771 [0,1,0,0,0,1|2,0,0]=4 8888 B14R1.26 CCCCCNCc1cncc(c1)Br 270004a_100000209983_100000687066 [0,1,0,0,0,1|2,0,0]=4 8889 B14R1.26 CCCCCNCc1cncc(c1)C 207a_100000209983_100011998712 [0,1,0,0,0,1|2,0,0]=4 8890 B14R1.26 CCCCCNCc1cncc(c1)C 2230a_100000209983_100000716715 [0,1,0,0,0,1|2,0,0]=4 8891 B14R1.26 CCCCCNCc1cncc(c1)C 2230a_100000692839_100000210326 [0,1,0,0,0,1|2,0,0]=4 8892 B14R1.26 CCCCCNCc1cncc(c1)C 270004a_100000209983_100011998712 [0,1,0,0,0,1|2,0,0]=4 8893 B14R1.26 CCCCCNCc1cncc(c1)C 34a_100000692839_100000718602 [0,1,0,0,0,1|2,0,0]=4 8894 B14R1.26 CCCCCNCc1cncc(c1)Cl 207a_100000209983_100000088910 [0,1,0,0,0,1|2,0,0]=4 8895 B14R1.26 CCCCCNCc1cncc(c1)Cl 2230a_100000209983_100016992070 [0,1,0,0,0,1|2,0,0]=4 8896 B14R1.26 CCCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210326 [0,1,0,0,0,1|2,0,0]=4 8897 B14R1.26 CCCCCNCc1cncc(c1)Cl 270004a_100000209983_100000088910 [0,1,0,0,0,1|2,0,0]=4 8898 B14R1.26 CCCCCNCc1cncc(c1)F 207a_100000209983_100011361476 [0,1,0,0,0,1|2,0,0]=4 8899 B14R1.26 CCCCCNCc1cncc(c1)F 2230a_100000209983_100000725299 [0,1,0,0,0,1|2,0,0]=4 8900 B14R1.26 CCCCCNCc1cncc(c1)F 2230a_100011962886_100000210326 [0,1,0,0,0,1|2,0,0]=4 8901 B14R1.26 CCCCCNCc1cncc(c1)F 270004a_100000209983_100011361476 [0,1,0,0,0,1|2,0,0]=4 8902 B14R1.26 CCCCCNCc1cncc(c1)F 34a_100011962886_100000718602 [0,1,0,0,0,1|2,0,0]=4 8903 B14R1.26 CCCCCNCc1cncc(c1)O 207a_100000209983_100012187055 [0,1,0,0,0,1|2,0,0]=4 8904 B14R1.26 CCCCCNCc1cncc(c1)O 270004a_100000209983_100012187055 [0,1,0,0,0,1|2,0,0]=4 8905 B14R1.26 CCCCCNCc1cncc(n1)C 207a_100000209983_100000100294 [0,1,0,0,0,1|2,0,0]=4 8906 B14R1.26 CCCCCNCc1cncc(n1)C 270004a_100000209983_100000100294 [0,1,0,0,0,1|2,0,0]=4 8907 B14R1.26 CCCCCNCc1nccc(n1)C 2230a_100015186494_100000210326 [0,1,0,0,0,1|2,0,0]=4 8908 B14R1.26 CCCCCOCc1cc(ccn1)Br 34a_100000210253_100010173614 [0,1,0,0,0,1|2,0,0]=4 8909 B14R1.26 CCCCCOCc1cc(ccn1)Br 7a_100000210253_100010173614 [0,1,0,0,0,1|2,0,0]=4 8910 B14R1.26 CCCCCOCc1cc(ccn1)C 34a_100000210253_100000718516 [0,1,0,0,0,1|2,0,0]=4 8911 B14R1.26 CCCCCOCc1cc(ccn1)C 34a_100011998357_100000718602 [0,1,0,0,0,1|2,0,0]=4 8912 B14R1.26 CCCCCOCc1cc(ccn1)C 7a_100000210253_100000718516 [0,1,0,0,0,1|2,0,0]=4 8913 B14R1.26 CCCCCOCc1cc(ccn1)Cl 34a_100000210253_100016988179 [0,1,0,0,0,1|2,0,0]=4 8914 B14R1.26 CCCCCOCc1cc(ccn1)Cl 34a_100000748867_100000718602 [0,1,0,0,0,1|2,0,0]=4 8915 B14R1.26 CCCCCOCc1cc(ccn1)Cl 7a_100000210253_100016988179 [0,1,0,0,0,1|2,0,0]=4 8916 B14R1.26 CCCCCOCc1cc(ccn1)N 34a_100000692640_100000718602 [0,1,0,0,0,1|2,0,0]=4 8917 B14R1.26 CCCCCOCc1cc(cnn1)C 34a_100016212594_100000718602 [0,1,0,0,0,1|2,0,0]=4 8918 B14R1.26 CCCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000718602 [0,1,0,0,0,1|2,0,0]=4 8919 B14R1.26 CCCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210326 [0,1,0,0,0,1|2,0,0]=4 8920 B14R1.26 CCCCCOCc1cccc(c1)Br 34a_100000210253_100000698116 [0,1,0,0,0,1|2,0,0]=4 8921 B14R1.26 CCCCCOCc1cccc(c1)Br 34a_100000687537_100000718602 [0,1,0,0,0,1|2,0,0]=4 8922 B14R1.26 CCCCCOCc1cccc(c1)Br 7a_100000210253_100000211773 [0,1,0,0,0,1|2,0,0]=4 8923 B14R1.26 CCCCCOCc1cccc(c1)Br 7a_100000687537_100000210326 [0,1,0,0,0,1|2,0,0]=4 8924 B14R1.26 CCCCCOCc1cccc(c1)C 34a_100000210253_100000211840 [0,1,0,0,0,1|2,0,0]=4 8925 B14R1.26 CCCCCOCc1cccc(c1)C 34a_100011217746_100000718602 [0,1,0,0,0,1|2,0,0]=4 8926 B14R1.26 CCCCCOCc1cccc(c1)C 7a_100000210253_100000211840 [0,1,0,0,0,1|2,0,0]=4 8927 B14R1.26 CCCCCOCc1cccc(c1)C 7a_100011217746_100000210326 [0,1,0,0,0,1|2,0,0]=4 8928 B14R1.26 CCCCCOCc1cccc(c1)Cl 34a_100000210253_100000187163 [0,1,0,0,0,1|2,0,0]=4 8929 B14R1.26 CCCCCOCc1cccc(c1)Cl 34a_100000241301_100000718602 [0,1,0,0,0,1|2,0,0]=4 8930 B14R1.26 CCCCCOCc1cccc(c1)Cl 7a_100000210253_100000187163 [0,1,0,0,0,1|2,0,0]=4 8931 B14R1.26 CCCCCOCc1cccc(c1)Cl 7a_100000241301_100000210326 [0,1,0,0,0,1|2,0,0]=4 8932 B14R1.26 CCCCCOCc1cccc(c1)F 34a_100000210253_100000187166 [0,1,0,0,0,1|2,0,0]=4 8933 B14R1.26 CCCCCOCc1cccc(c1)F 34a_100000210976_100000718602 [0,1,0,0,0,1|2,0,0]=4 8934 B14R1.26 CCCCCOCc1cccc(c1)F 7a_100000210253_100000230114 [0,1,0,0,0,1|2,0,0]=4 8935 B14R1.26 CCCCCOCc1cccc(c1)F 7a_100000210976_100000210326 [0,1,0,0,0,1|2,0,0]=4 8936 B14R1.26 CCCCCOCc1cccc(c1)I 34a_100000210253_100011218688 [0,1,0,0,0,1|2,0,0]=4 8937 B14R1.26 CCCCCOCc1cccc(c1)I 34a_100011215336_100000718602 [0,1,0,0,0,1|2,0,0]=4 8938 B14R1.26 CCCCCOCc1cccc(c1)I 7a_100000210253_100011218688 [0,1,0,0,0,1|2,0,0]=4 8939 B14R1.26 CCCCCOCc1cccc(c1)I 7a_100011215336_100000210326 [0,1,0,0,0,1|2,0,0]=4 8940 B14R1.26 CCCCCOCc1cccc(c1)N 34a_100000211919_100000718602 [0,1,0,0,0,1|2,0,0]=4 8941 B14R1.26 CCCCCOCc1cccc(c1)O 34a_100000210253_100011660834 [0,1,0,0,0,1|2,0,0]=4 8942 B14R1.26 CCCCCOCc1cccc(c1)O 7a_100000210253_100000084143 [0,1,0,0,0,1|2,0,0]=4 8943 B14R1.26 CCCCCOCc1cccc(n1)Br 34a_100000210253_100009889011 [0,1,0,0,0,1|2,0,0]=4 8944 B14R1.26 CCCCCOCc1cccc(n1)Br 34a_100000694195_100000718602 [0,1,0,0,0,1|2,0,0]=4 8945 B14R1.26 CCCCCOCc1cccc(n1)Br 7a_100000210253_100009889011 [0,1,0,0,0,1|2,0,0]=4 8946 B14R1.26 CCCCCOCc1cccc(n1)C 34a_100000210253_100000757606 [0,1,0,0,0,1|2,0,0]=4 8947 B14R1.26 CCCCCOCc1cccc(n1)C 34a_100000690600_100000718602 [0,1,0,0,0,1|2,0,0]=4 8948 B14R1.26 CCCCCOCc1cccc(n1)C 7a_100000210253_100000757606 [0,1,0,0,0,1|2,0,0]=4 8949 B14R1.26 CCCCCOCc1cccc(n1)Cl 34a_100000210253_100000086093 [0,1,0,0,0,1|2,0,0]=4 8950 B14R1.26 CCCCCOCc1cccc(n1)Cl 34a_100011998359_100000718602 [0,1,0,0,0,1|2,0,0]=4 8951 B14R1.26 CCCCCOCc1cccc(n1)Cl 7a_100000210253_100000086093 [0,1,0,0,0,1|2,0,0]=4 8952 B14R1.26 CCCCCOCc1cccc(n1)F 34a_100000086748_100000718602 [0,1,0,0,0,1|2,0,0]=4 8953 B14R1.26 CCCCCOCc1cccc(n1)F 34a_100000210253_100009819644 [0,1,0,0,0,1|2,0,0]=4 8954 B14R1.26 CCCCCOCc1cccc(n1)F 7a_100000210253_100009819644 [0,1,0,0,0,1|2,0,0]=4 8955 B14R1.26 CCCCCOCc1ccnc(c1)Br 34a_100000210253_100010243470 [0,1,0,0,0,1|2,0,0]=4 8956 B14R1.26 CCCCCOCc1ccnc(c1)Br 34a_100009814636_100000718602 [0,1,0,0,0,1|2,0,0]=4 8957 B14R1.26 CCCCCOCc1ccnc(c1)Br 7a_100000210253_100010254460 [0,1,0,0,0,1|2,0,0]=4 8958 B14R1.26 CCCCCOCc1ccnc(c1)Br 7a_100009814636_100000210326 [0,1,0,0,0,1|2,0,0]=4 8959 B14R1.26 CCCCCOCc1ccnc(c1)C 34a_100000210253_200020672517 [0,1,0,0,0,1|2,0,0]=4 8960 B14R1.26 CCCCCOCc1ccnc(c1)C 34a_100011998630_100000718602 [0,1,0,0,0,1|2,0,0]=4 8961 B14R1.26 CCCCCOCc1ccnc(c1)C 7a_100000210253_200020672517 [0,1,0,0,0,1|2,0,0]=4 8962 B14R1.26 CCCCCOCc1ccnc(c1)Cl 34a_100000210253_100000764220 [0,1,0,0,0,1|2,0,0]=4 8963 B14R1.26 CCCCCOCc1ccnc(c1)Cl 34a_100000748751_100000718602 [0,1,0,0,0,1|2,0,0]=4 8964 B14R1.26 CCCCCOCc1ccnc(c1)Cl 7a_100000210253_100000764220 [0,1,0,0,0,1|2,0,0]=4 8965 B14R1.26 CCCCCOCc1ccnc(c1)F 34a_100000082451_100000718602 [0,1,0,0,0,1|2,0,0]=4 8966 B14R1.26 CCCCCOCc1ccnc(n1)Cl 34a_100000210253_100000099655 [0,1,0,0,0,1|2,0,0]=4 8967 B14R1.26 CCCCCOCc1ccnc(n1)Cl 7a_100000210253_100000099655 [0,1,0,0,0,1|2,0,0]=4 8968 B14R1.26 CCCCCOCc1cncc(c1)Br 34a_100000210253_100000738771 [0,1,0,0,0,1|2,0,0]=4 8969 B14R1.26 CCCCCOCc1cncc(c1)Br 34a_100011259137_100000718602 [0,1,0,0,0,1|2,0,0]=4 8970 B14R1.26 CCCCCOCc1cncc(c1)Br 7a_100000210253_100000738771 [0,1,0,0,0,1|2,0,0]=4 8971 B14R1.26 CCCCCOCc1cncc(c1)Br 7a_100011259137_100000210326 [0,1,0,0,0,1|2,0,0]=4 8972 B14R1.26 CCCCCOCc1cncc(c1)C 34a_100000210253_100000716715 [0,1,0,0,0,1|2,0,0]=4 8973 B14R1.26 CCCCCOCc1cncc(c1)C 34a_100011998709_100000718602 [0,1,0,0,0,1|2,0,0]=4 8974 B14R1.26 CCCCCOCc1cncc(c1)C 7a_100000210253_100000716715 [0,1,0,0,0,1|2,0,0]=4 8975 B14R1.26 CCCCCOCc1cncc(c1)C 7a_100011998709_100000210326 [0,1,0,0,0,1|2,0,0]=4 8976 B14R1.26 CCCCCOCc1cncc(c1)Cl 34a_100000092867_100000718602 [0,1,0,0,0,1|2,0,0]=4 8977 B14R1.26 CCCCCOCc1cncc(c1)Cl 34a_100000210253_100016992070 [0,1,0,0,0,1|2,0,0]=4 8978 B14R1.26 CCCCCOCc1cncc(c1)Cl 7a_100000092867_100000210326 [0,1,0,0,0,1|2,0,0]=4 8979 B14R1.26 CCCCCOCc1cncc(c1)Cl 7a_100000210253_100016992070 [0,1,0,0,0,1|2,0,0]=4 8980 B14R1.26 CCCCCOCc1cncc(c1)F 34a_100000210253_100000725299 [0,1,0,0,0,1|2,0,0]=4 8981 B14R1.26 CCCCCOCc1cncc(c1)F 34a_100011962875_100000718602 [0,1,0,0,0,1|2,0,0]=4 8982 B14R1.26 CCCCCOCc1cncc(c1)F 7a_100000210253_100000725299 [0,1,0,0,0,1|2,0,0]=4 8983 B14R1.26 CCCCCOCc1cncc(c1)F 7a_100011962875_100000210326 [0,1,0,0,0,1|2,0,0]=4 8984 B14R1.26 CCCCCOCc1cncc(c1)N 34a_100000085308_100000718602 [0,1,0,0,0,1|2,0,0]=4 8985 B14R1.26 CCCCCSCc1cc(ccn1)Br 62a_100000210326_100010173614 [0,1,0,0,0,1|2,0,0]=4 8986 B14R1.26 CCCCCSCc1cc(ccn1)Br 62a_100010173614_100000210326 [0,1,0,0,0,1|2,0,0]=4 8987 B14R1.26 CCCCCSCc1cc(ccn1)C 62a_100000210326_100000718516 [0,1,0,0,0,1|2,0,0]=4 8988 B14R1.26 CCCCCSCc1cc(ccn1)C 62a_100000718516_100000210326 [0,1,0,0,0,1|2,0,0]=4 8989 B14R1.26 CCCCCSCc1cc(ccn1)Cl 62a_100000210326_100016988179 [0,1,0,0,0,1|2,0,0]=4 8990 B14R1.26 CCCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210326 [0,1,0,0,0,1|2,0,0]=4 8991 B14R1.26 CCCCCSCc1cccc(c1)Br 62a_100000210326_100000211773 [0,1,0,0,0,1|2,0,0]=4 8992 B14R1.26 CCCCCSCc1cccc(c1)Br 62a_100000211773_100000210326 [0,1,0,0,0,1|2,0,0]=4 8993 B14R1.26 CCCCCSCc1cccc(c1)C 62a_100000210326_100000211840 [0,1,0,0,0,1|2,0,0]=4 8994 B14R1.26 CCCCCSCc1cccc(c1)C 62a_100000211840_100000210326 [0,1,0,0,0,1|2,0,0]=4 8995 B14R1.26 CCCCCSCc1cccc(c1)Cl 62a_100000187163_100000210326 [0,1,0,0,0,1|2,0,0]=4 8996 B14R1.26 CCCCCSCc1cccc(c1)Cl 62a_100000210326_100000187163 [0,1,0,0,0,1|2,0,0]=4 8997 B14R1.26 CCCCCSCc1cccc(c1)F 62a_100000210326_100000230114 [0,1,0,0,0,1|2,0,0]=4 8998 B14R1.26 CCCCCSCc1cccc(c1)F 62a_100000230114_100000210326 [0,1,0,0,0,1|2,0,0]=4 8999 B14R1.26 CCCCCSCc1cccc(c1)I 62a_100000210326_100011218688 [0,1,0,0,0,1|2,0,0]=4 9000 B14R1.26 CCCCCSCc1cccc(c1)I 62a_100011218688_100000210326 [0,1,0,0,0,1|2,0,0]=4 9001 B14R1.26 CCCCCSCc1cccc(c1)O 62a_100000210326_100011660834 [0,1,0,0,0,1|2,0,0]=4 9002 B14R1.26 CCCCCSCc1cccc(c1)O 62a_100011660834_100000210326 [0,1,0,0,0,1|2,0,0]=4 9003 B14R1.26 CCCCCSCc1cccc(n1)Br 62a_100000210326_100009889011 [0,1,0,0,0,1|2,0,0]=4 9004 B14R1.26 CCCCCSCc1cccc(n1)Br 62a_100009889011_100000210326 [0,1,0,0,0,1|2,0,0]=4 9005 B14R1.26 CCCCCSCc1cccc(n1)C 62a_100000210326_100000757606 [0,1,0,0,0,1|2,0,0]=4 9006 B14R1.26 CCCCCSCc1cccc(n1)C 62a_100000757606_100000210326 [0,1,0,0,0,1|2,0,0]=4 9007 B14R1.26 CCCCCSCc1cccc(n1)Cl 62a_100000086093_100000210326 [0,1,0,0,0,1|2,0,0]=4 9008 B14R1.26 CCCCCSCc1cccc(n1)Cl 62a_100000210326_100000086093 [0,1,0,0,0,1|2,0,0]=4 9009 B14R1.26 CCCCCSCc1cccc(n1)F 62a_100000210326_100009819644 [0,1,0,0,0,1|2,0,0]=4 9010 B14R1.26 CCCCCSCc1cccc(n1)F 62a_100009819644_100000210326 [0,1,0,0,0,1|2,0,0]=4 9011 B14R1.26 CCCCCSCc1ccnc(c1)Br 62a_100000210326_100010243470 [0,1,0,0,0,1|2,0,0]=4 9012 B14R1.26 CCCCCSCc1ccnc(c1)Br 62a_100010254460_100000210326 [0,1,0,0,0,1|2,0,0]=4 9013 B14R1.26 CCCCCSCc1ccnc(c1)C 62a_100000210326_200020672517 [0,1,0,0,0,1|2,0,0]=4 9014 B14R1.26 CCCCCSCc1ccnc(c1)C 62a_200020672517_100000210326 [0,1,0,0,0,1|2,0,0]=4 9015 B14R1.26 CCCCCSCc1ccnc(c1)Cl 62a_100000210326_100000764220 [0,1,0,0,0,1|2,0,0]=4 9016 B14R1.26 CCCCCSCc1ccnc(c1)Cl 62a_100000764220_100000210326 [0,1,0,0,0,1|2,0,0]=4 9017 B14R1.26 CCCCCSCc1ccnc(n1)Cl 62a_100000099655_100000210326 [0,1,0,0,0,1|2,0,0]=4 9018 B14R1.26 CCCCCSCc1ccnc(n1)Cl 62a_100000210326_100000099655 [0,1,0,0,0,1|2,0,0]=4 9019 B14R1.26 CCCCCSCc1cncc(c1)Br 62a_100000210326_100000738771 [0,1,0,0,0,1|2,0,0]=4 9020 B14R1.26 CCCCCSCc1cncc(c1)Br 62a_100000738771_100000210326 [0,1,0,0,0,1|2,0,0]=4 9021 B14R1.26 CCCCCSCc1cncc(c1)C 62a_100000210326_100000716715 [0,1,0,0,0,1|2,0,0]=4 9022 B14R1.26 CCCCCSCc1cncc(c1)C 62a_100000716715_100000210326 [0,1,0,0,0,1|2,0,0]=4 9023 B14R1.26 CCCCCSCc1cncc(c1)Cl 62a_100000210326_100016992070 [0,1,0,0,0,1|2,0,0]=4 9024 B14R1.26 CCCCCSCc1cncc(c1)Cl 62a_100016992070_100000210326 [0,1,0,0,0,1|2,0,0]=4 9025 B14R1.26 CCCCCSCc1cncc(c1)F 62a_100000210326_100000725299 [0,1,0,0,0,1|2,0,0]=4 9026 B14R1.26 CCCCCSCc1cncc(c1)F 62a_100000725299_100000210326 [0,1,0,0,0,1|2,0,0]=4 9027 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100000102301_100011740638 [0,1,0,0,0,1|2,0,0]=4 9028 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100011207229_100000210211 [0,1,0,0,0,1|2,0,0]=4 9029 B14R1.26 CCCCNCCc1cccc(c1)Br 34a_100011207229_100000210210 [0,1,0,0,0,1|2,0,0]=4 9030 B14R1.26 CCCCNCCc1cccc(c1)Br 7a_106832991798_100011740638 [0,1,0,0,0,1|2,0,0]=4 9031 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000102301_100011713685 [0,1,0,0,0,1|2,0,0]=4 9032 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000749837_100000210211 [0,1,0,0,0,1|2,0,0]=4 9033 B14R1.26 CCCCNCCc1cccc(c1)C 34a_100000749837_100000210210 [0,1,0,0,0,1|2,0,0]=4 9034 B14R1.26 CCCCNCCc1cccc(c1)C 7a_106832991798_100011713685 [0,1,0,0,0,1|2,0,0]=4 9035 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000102301_100011713710 [0,1,0,0,0,1|2,0,0]=4 9036 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210211 [0,1,0,0,0,1|2,0,0]=4 9037 B14R1.26 CCCCNCCc1cccc(c1)Cl 34a_100000185263_100000210210 [0,1,0,0,0,1|2,0,0]=4 9038 B14R1.26 CCCCNCCc1cccc(c1)Cl 7a_106832991798_100011713710 [0,1,0,0,0,1|2,0,0]=4 9039 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000102301_100011217235 [0,1,0,0,0,1|2,0,0]=4 9040 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000205154_100000210211 [0,1,0,0,0,1|2,0,0]=4 9041 B14R1.26 CCCCNCCc1cccc(c1)F 34a_100000205154_100000210210 [0,1,0,0,0,1|2,0,0]=4 9042 B14R1.26 CCCCNCCc1cccc(c1)F 7a_106832991798_100011217235 [0,1,0,0,0,1|2,0,0]=4 9043 B14R1.26 CCCCNCCc1cccc(c1)O 2230a_100000747277_100000210211 [0,1,0,0,0,1|2,0,0]=4 9044 B14R1.26 CCCCNCCc1cccc(c1)O 34a_100000747277_100000210210 [0,1,0,0,0,1|2,0,0]=4 9045 B14R1.26 CCCCNCCc1cccc(n1)C 2230a_100011824523_100000210211 [0,1,0,0,0,1|2,0,0]=4 9046 B14R1.26 CCCCNCCc1cccc(n1)C 34a_100011824523_100000210210 [0,1,0,0,0,1|2,0,0]=4 9047 B14R1.26 CCCCOCCc1cccc(c1)Br 34a_100000210227_100011740638 [0,1,0,0,0,1|2,0,0]=4 9048 B14R1.26 CCCCOCCc1cccc(c1)Br 34a_100011217444_100000210210 [0,1,0,0,0,1|2,0,0]=4 9049 B14R1.26 CCCCOCCc1cccc(c1)Br 7a_100000210227_100011740638 [0,1,0,0,0,1|2,0,0]=4 9050 B14R1.26 CCCCOCCc1cccc(c1)Br 7a_100011217444_100000210211 [0,1,0,0,0,1|2,0,0]=4 9051 B14R1.26 CCCCOCCc1cccc(c1)C 34a_100000210227_100011713685 [0,1,0,0,0,1|2,0,0]=4 9052 B14R1.26 CCCCOCCc1cccc(c1)C 34a_100011217157_100000210210 [0,1,0,0,0,1|2,0,0]=4 9053 B14R1.26 CCCCOCCc1cccc(c1)C 7a_100000210227_100011713685 [0,1,0,0,0,1|2,0,0]=4 9054 B14R1.26 CCCCOCCc1cccc(c1)C 7a_100011217157_100000210211 [0,1,0,0,0,1|2,0,0]=4 9055 B14R1.26 CCCCOCCc1cccc(c1)Cl 34a_100000210227_100011713710 [0,1,0,0,0,1|2,0,0]=4 9056 B14R1.26 CCCCOCCc1cccc(c1)Cl 34a_100000754733_100000210210 [0,1,0,0,0,1|2,0,0]=4 9057 B14R1.26 CCCCOCCc1cccc(c1)Cl 7a_100000210227_100011713710 [0,1,0,0,0,1|2,0,0]=4 9058 B14R1.26 CCCCOCCc1cccc(c1)Cl 7a_100000754733_100000210211 [0,1,0,0,0,1|2,0,0]=4 9059 B14R1.26 CCCCOCCc1cccc(c1)F 34a_100000210227_100011217235 [0,1,0,0,0,1|2,0,0]=4 9060 B14R1.26 CCCCOCCc1cccc(c1)F 34a_100000763591_100000210210 [0,1,0,0,0,1|2,0,0]=4 9061 B14R1.26 CCCCOCCc1cccc(c1)F 7a_100000210227_100011217235 [0,1,0,0,0,1|2,0,0]=4 9062 B14R1.26 CCCCOCCc1cccc(c1)F 7a_100000763591_100000210211 [0,1,0,0,0,1|2,0,0]=4 9063 B14R1.26 CCCCOCCc1cccc(c1)N 34a_100011996697_100000210210 [0,1,0,0,0,1|2,0,0]=4 9064 B14R1.26 CCCCOCCc1cccc(n1)Br 34a_100010221043_100000210210 [0,1,0,0,0,1|2,0,0]=4 9065 B14R1.26 CCCCOCCc1cccc(n1)Br 7a_100010221043_100000210211 [0,1,0,0,0,1|2,0,0]=4 9066 B14R1.26 CCCCSCCc1cccc(c1)Br 62a_100000210211_100011740638 [0,1,0,0,0,1|2,0,0]=4 9067 B14R1.26 CCCCSCCc1cccc(c1)Br 62a_100011740638_100000210210 [0,1,0,0,0,1|2,0,0]=4 9068 B14R1.26 CCCCSCCc1cccc(c1)C 62a_100000210211_100011713685 [0,1,0,0,0,1|2,0,0]=4 9069 B14R1.26 CCCCSCCc1cccc(c1)C 62a_100011713685_100000210210 [0,1,0,0,0,1|2,0,0]=4 9070 B14R1.26 CCCCSCCc1cccc(c1)Cl 62a_100000210211_100011713710 [0,1,0,0,0,1|2,0,0]=4 9071 B14R1.26 CCCCSCCc1cccc(c1)Cl 62a_100011713710_100000210210 [0,1,0,0,0,1|2,0,0]=4 9072 B14R1.26 CCCCSCCc1cccc(c1)F 62a_100000210211_100011217235 [0,1,0,0,0,1|2,0,0]=4 9073 B14R1.26 CCCCSCCc1cccc(c1)F 62a_100011217235_100000210210 [0,1,0,0,0,1|2,0,0]=4 9074 B14R1.26 CCCNCCCc1cccc(c1)Br 2230a_100000753791_100000210303 [0,1,0,0,0,1|2,0,0]=4 9075 B14R1.26 CCCNCCCc1cccc(c1)Br 34a_100000753791_100000210303 [0,1,0,0,0,1|2,0,0]=4 9076 B14R1.26 CCCNCCCc1cccc(c1)C 2230a_103496528808_100000210303 [0,1,0,0,0,1|2,0,0]=4 9077 B14R1.26 CCCNCCCc1cccc(c1)C 34a_103496528808_100000210303 [0,1,0,0,0,1|2,0,0]=4 9078 B14R1.26 CCCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210303 [0,1,0,0,0,1|2,0,0]=4 9079 B14R1.26 CCCNCCCc1cccc(c1)Cl 34a_100000704586_100000210303 [0,1,0,0,0,1|2,0,0]=4 9080 B14R1.26 CCCNCCCc1cccc(c1)F 2230a_100000754185_100000210303 [0,1,0,0,0,1|2,0,0]=4 9081 B14R1.26 CCCNCCCc1cccc(c1)F 34a_100000754185_100000210303 [0,1,0,0,0,1|2,0,0]=4 9082 B14R1.26 CCCOCCCc1cccc(c1)Br 34a_100000210258_100011713683 [0,1,0,0,0,1|2,0,0]=4 9083 B14R1.26 CCCOCCCc1cccc(c1)Br 34a_100011709248_100000210303 [0,1,0,0,0,1|2,0,0]=4 9084 B14R1.26 CCCOCCCc1cccc(c1)Br 7a_100011709248_100000210303 [0,1,0,0,0,1|2,0,0]=4 9085 B14R1.26 CCCOCCCc1cccc(c1)Cl 34a_100011709246_100000210303 [0,1,0,0,0,1|2,0,0]=4 9086 B14R1.26 CCCOCCCc1cccc(c1)Cl 7a_100011709246_100000210303 [0,1,0,0,0,1|2,0,0]=4 9087 B14R1.26 CCCOCCCc1cccc(c1)F 34a_100000210258_200000698031 [0,1,0,0,0,1|2,0,0]=4 9088 B14R1.26 CCCOCCCc1cccc(c1)N 34a_200000698965_100000210303 [0,1,0,0,0,1|2,0,0]=4 9089 B14R1.26 CCCOCCCc1cccc(c1)N 7a_200000698965_100000210303 [0,1,0,0,0,1|2,0,0]=4 9090 B14R1.26 CCCOCCCc1cccc(n1)C 34a_100000211354_100000210303 [0,1,0,0,0,1|2,0,0]=4 9091 B14R1.26 CCCSCCCc1cccc(c1)Br 62a_100000210303_100011713683 [0,1,0,0,0,1|2,0,0]=4 9092 B14R1.26 CCCSCCCc1cccc(c1)Br 62a_100011713683_100000210303 [0,1,0,0,0,1|2,0,0]=4 9093 B14R1.26 CCCSCCCc1cccc(c1)F 62a_100000210303_200000698031 [0,1,0,0,0,1|2,0,0]=4 9094 B14R1.26 CCCSCCCc1cccc(c1)F 62a_200000698031_100000210303 [0,1,0,0,0,1|2,0,0]=4 9095 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,1,0,0,0,1|1,0,1]=4 9096 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_100000210012_100000210314 [0,1,0,0,0,1|2,0,0]=4 9097 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_200000219565_200000210301 [0,1,0,0,0,1|2,0,0]=4 9098 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_100000210012_100000210757 [0,1,0,0,0,1|2,0,0]=4 9099 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_200000219565_200000210301 [0,1,0,0,0,1|2,0,0]=4 9100 B14R1.38 CCCCCCN(C)c1ccccc1 34a_100000210012_100000210314 [0,1,0,0,0,1|2,0,0]=4 9101 B14R1.38 CCCCCCN(C)c1ccccc1 34a_200000219565_200000210301 [0,1,0,0,0,1|2,0,0]=4 9102 B14R1.38 CCCCCCN(C)c1ccccc1 7a_200000219565_200000210301 [0,1,0,0,0,1|2,0,0]=4 9103 B14R1.38 CCCCCCN(C)c1cccnn1 27a_106256046315_100016991348 [0,1,0,0,0,1|2,0,0]=4 9104 B14R1.38 CCCCCCN(C)c1ccncn1 27a_106256046315_100000703185 [0,1,0,0,0,1|2,0,0]=4 9105 B14R1.38 CCCCCCN(C)c1cnccn1 27a_106256046315_100000211759 [0,1,0,0,0,1|2,0,0]=4 9106 B14R1.38 CCCCCCN(C)c1ncccn1 27a_106256046315_100000211032 [0,1,0,0,0,1|2,0,0]=4 9107 B14R1.38 CCCCCCN([13CH3])c1ccccc1 2230a_200000219565_200025704644 [0,1,0,0,0,1|2,0,0]=4 9108 B14R1.38 CCCCCCN([13CH3])c1ccccc1 269982a_200000219565_200025704644 [0,1,0,0,0,1|2,0,0]=4 9109 B14R1.38 CCCCCCN([13CH3])c1ccccc1 34a_200000219565_200025704644 [0,1,0,0,0,1|2,0,0]=4 9110 B14R1.38 CCCCCCN([13CH3])c1ccccc1 7a_200000219565_200025704644 [0,1,0,0,0,1|2,0,0]=4 9111 B14R1.38 CCCCCNC(C)c1ccccc1 2230a_100000209983_100000230085 [0,1,0,0,0,1|2,0,0]=4 9112 B14R1.38 CCCCCNC(C)c1ccccc1 269862a_100000209983_100000185851 [0,1,0,0,0,1|2,0,0]=4 9113 B14R1.38 CCCCCNC(C)c1ccccn1 2230a_100000181244_100000210326 [0,1,0,0,0,1|2,0,0]=4 9114 B14R1.38 CCCCCNC(C)c1ccccn1 269862a_100000209983_100000210467 [0,1,0,0,0,1|2,0,0]=4 9115 B14R1.38 CCCCCNC(C)c1cccnc1 2230a_100000195435_100000210326 [0,1,0,0,0,1|2,0,0]=4 9116 B14R1.38 CCCCCNC(C)c1cccnc1 269862a_100000209983_100000210468 [0,1,0,0,0,1|2,0,0]=4 9117 B14R1.38 CCCCCNC(C)c1cccnn1 269862a_100000209983_100009866853 [0,1,0,0,0,1|2,0,0]=4 9118 B14R1.38 CCCCCNC(C)c1ccncc1 2230a_100000181269_100000210326 [0,1,0,0,0,1|2,0,0]=4 9119 B14R1.38 CCCCCNC(C)c1ccncc1 269862a_100000209983_100000185792 [0,1,0,0,0,1|2,0,0]=4 9120 B14R1.38 CCCCCNC(C)c1cnccn1 2230a_100000209983_200000703233 [0,1,0,0,0,1|2,0,0]=4 9121 B14R1.38 CCCCCNC(C)c1cnccn1 269862a_100000209983_100000751083 [0,1,0,0,0,1|2,0,0]=4 9122 B14R1.38 CCCCCNC(C)c1ncccn1 2230a_100020641698_100000210326 [0,1,0,0,0,1|2,0,0]=4 9123 B14R1.38 CCCCCNC(C)c1ncccn1 270004a_100000209983_100011350828 [0,1,0,0,0,1|2,0,0]=4 9124 B14R1.38 CCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210326 [0,1,0,0,0,1|2,0,0]=4 9125 B14R1.38 CCCCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210326 [0,1,0,0,0,1|2,0,0]=4 9126 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [0,1,0,0,0,1|2,0,0]=4 9127 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [0,1,0,0,0,1|2,0,0]=4 9128 B14R1.38 CCCCCOC(C)c1cnccn1 7a_100000210253_200000703233 [0,1,0,0,0,1|2,0,0]=4 9129 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [0,1,0,0,0,1|2,0,0]=4 9130 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [0,1,0,0,0,1|2,0,0]=4 9131 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000210326_100000230085 [0,1,0,0,0,1|2,0,0]=4 9132 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000230085_100000210326 [0,1,0,0,0,1|2,0,0]=4 9133 B14R1.38 CCCCCSC(C)c1cnccn1 62a_100000210326_200000703233 [0,1,0,0,0,1|2,0,0]=4 9134 B14R1.38 CCCCCSC(C)c1cnccn1 62a_200000703233_100000210326 [0,1,0,0,0,1|2,0,0]=4 9135 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [0,1,0,0,0,1|2,0,0]=4 9136 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [0,1,0,0,0,1|2,0,0]=4 9137 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [0,1,0,0,0,1|2,0,0]=4 9138 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [0,1,0,0,0,1|2,0,0]=4 9139 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [0,1,0,0,0,1|2,0,0]=4 9140 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [0,1,0,0,0,1|2,0,0]=4 9141 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [0,1,0,0,0,1|2,0,0]=4 9142 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [0,1,0,0,0,1|2,0,0]=4 9143 B14R1.38 CCCCNCC(O)c1ccccn1 2230a_100000691469_100000210211 [0,1,0,0,0,1|2,0,0]=4 9144 B14R1.38 CCCCNCC(O)c1cccnc1 2230a_100020605170_100000210211 [0,1,0,0,0,1|2,0,0]=4 9145 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [0,1,0,0,0,1|2,0,0]=4 9146 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [0,1,0,0,0,1|2,0,0]=4 9147 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [0,1,0,0,0,1|2,0,0]=4 9148 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [0,1,0,0,0,1|2,0,0]=4 9149 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [0,1,0,0,0,1|2,0,0]=4 9150 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [0,1,0,0,0,1|2,0,0]=4 9151 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [0,1,0,0,0,1|2,0,0]=4 9152 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [0,1,0,0,0,1|2,0,0]=4 9153 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [0,1,0,0,0,1|2,0,0]=4 9154 B14R1.38 CCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210210 [0,1,0,0,0,1|2,0,0]=4 9155 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [0,1,0,0,0,1|2,0,0]=4 9156 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [0,1,0,0,0,1|2,0,0]=4 9157 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000210211_100000756946 [0,1,0,0,0,1|2,0,0]=4 9158 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000756946_100000210210 [0,1,0,0,0,1|2,0,0]=4 9159 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000185958_100000210210 [0,1,0,0,0,1|2,0,0]=4 9160 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000210211_100000185958 [0,1,0,0,0,1|2,0,0]=4 9161 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100000210211_100011933945 [0,1,0,0,0,1|2,0,0]=4 9162 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210210 [0,1,0,0,0,1|2,0,0]=4 9163 B14R1.38 CCCNCCC(C)c1ccccc1 270004a_100020643023_100000189432 [0,1,0,0,0,1|2,0,0]=4 9164 B14R1.38 CCCNCCC(O)c1ccccc1 2230a_100000763605_100000210303 [0,1,0,0,0,1|2,0,0]=4 9165 B14R1.38 CCCOCC[C@@H](O)c1ccccc1 34a_100000210258_100000729684 [0,1,0,0,0,1|2,0,0]=4 9166 B14R1.38 CCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210303 [0,1,0,0,0,1|2,0,0]=4 9167 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000210303_100000729684 [0,1,0,0,0,1|2,0,0]=4 9168 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210303 [0,1,0,0,0,1|2,0,0]=4 9169 B14R1.38 CCOCCCC(N)c1ccccc1 34a_100000759318_100000210202 [0,1,0,0,0,1|2,0,0]=4 9170 B14R1.123 BrCCCCCOCc1ccccc1 34a_100000746331_100015291786 [0,1,0,0,0,1|2,0,0]=4 9171 B14R1.123 BrCCCCCOCc1ccccc1 7a_100000746331_100000211182 [0,1,0,0,0,1|2,0,0]=4 9172 B14R1.123 BrCCCCCOCc1ccccn1 34a_100000746331_100000721315 [0,1,0,0,0,1|2,0,0]=4 9173 B14R1.123 BrCCCCCOCc1ccccn1 7a_100000746331_100000721315 [0,1,0,0,0,1|2,0,0]=4 9174 B14R1.123 BrCCCCCOCc1cccnc1 34a_100000746331_100000733263 [0,1,0,0,0,1|2,0,0]=4 9175 B14R1.123 BrCCCCCOCc1cccnc1 7a_100000746331_100000741622 [0,1,0,0,0,1|2,0,0]=4 9176 B14R1.123 BrCCCCCOCc1cccnn1 34a_100000746331_100016990269 [0,1,0,0,0,1|2,0,0]=4 9177 B14R1.123 BrCCCCCOCc1cccnn1 7a_100000746331_100016990269 [0,1,0,0,0,1|2,0,0]=4 9178 B14R1.123 BrCCCCCOCc1ccncc1 7a_100000746331_100015193705 [0,1,0,0,0,1|2,0,0]=4 9179 B14R1.123 BrCCCCCOCc1cnccn1 34a_100000746331_100016995436 [0,1,0,0,0,1|2,0,0]=4 9180 B14R1.123 BrCCCCCOCc1cnccn1 7a_100000746331_100016995436 [0,1,0,0,0,1|2,0,0]=4 9181 B14R1.123 BrCCCCCOCc1ncccn1 34a_100000746331_100000703007 [0,1,0,0,0,1|2,0,0]=4 9182 B14R1.123 BrCCCCCOCc1ncccn1 7a_100000746331_100000703007 [0,1,0,0,0,1|2,0,0]=4 9183 B14R1.123 BrCCCCOCCc1ccccc1 34a_100011216708_100000765856 [0,1,0,0,0,1|2,0,0]=4 9184 B14R1.123 BrCCCOCCCc1ccccc1 34a_100011217188_100000211621 [0,1,0,0,0,1|2,0,0]=4 9185 B14R1.123 BrCCOCCCCc1ccccc1 34a_100000211926_100000701786 [0,1,0,0,0,1|2,0,0]=4 9186 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [0,1,0,0,0,1|1,0,1]=4 9187 B14R1.123 CCCCCCC=Cc1ccccn1 271570a_200015348155_100011216584 [0,1,0,0,0,1|1,0,1]=4 9188 B14R1.123 CCCCCCC=Cc1cccnc1 271570a_200015348155_100000752921 [0,1,0,0,0,1|1,0,1]=4 9189 B14R1.123 CCCCCCC=Cc1cccnn1 271570a_200015348155_100016991348 [0,1,0,0,0,1|1,0,1]=4 9190 B14R1.123 CCCCCCC=Cc1ccncc1 271570a_200015348155_100000035832 [0,1,0,0,0,1|1,0,1]=4 9191 B14R1.123 CCCCCCC=Cc1ccncn1 271570a_200015348155_100000703185 [0,1,0,0,0,1|1,0,1]=4 9192 B14R1.123 CCCCCCC=Cc1cnccn1 271570a_200015348155_100000758340 [0,1,0,0,0,1|1,0,1]=4 9193 B14R1.123 CCCCCCC=Cc1ncccn1 271570a_200015348155_100000211032 [0,1,0,0,0,1|1,0,1]=4 9194 B14R1.123 CCCCCCCNc1ccccc1 34a_100000106764_100000210614 [0,1,0,0,0,1|1,0,0]=3 9195 B14R1.123 CCCCCCCNc1cccnn1 27a_100000229938_100016991348 [0,1,0,0,0,1|1,0,0]=3 9196 B14R1.123 CCCCCCCNc1ccncn1 27a_100000229938_100000703185 [0,1,0,0,0,1|1,0,0]=3 9197 B14R1.123 CCCCCCCNc1cnccn1 27a_100000229938_100000211759 [0,1,0,0,0,1|1,0,0]=3 9198 B14R1.123 CCCCCCCNc1ncccn1 27a_100000229938_100000211032 [0,1,0,0,0,1|1,0,0]=3 9199 B14R1.123 CCCCCCCOc1ccccc1 34a_100000210340_100000210614 [0,1,0,0,0,1|1,0,0]=3 9200 B14R1.123 CCCCCCCOc1ccccc1 7a_100000210340_100000210614 [0,1,0,0,0,1|1,0,0]=3 9201 B14R1.123 CCCCCCCOc1cccnc1 34a_100000210849_100000210614 [0,1,0,0,0,1|1,0,0]=3 9202 B14R1.123 CCCCCCCOc1cccnc1 7a_100000210849_100000210614 [0,1,0,0,0,1|1,0,0]=3 9203 B14R1.123 CCCCCCCOc1ccncc1 34a_100000212176_100000210614 [0,1,0,0,0,1|1,0,0]=3 9204 B14R1.123 CCCCCCCOc1ccnnc1 34a_100015204005_100000210614 [0,1,0,0,0,1|2,0,0]=4 9205 B14R1.123 CCCCCCCOc1cncnc1 7a_100000754086_100000210614 [0,1,0,0,0,1|2,0,0]=4 9206 B14R1.123 CCCCCCCSc1ccccc1 62a_100000210614_100000041952 [0,1,0,0,0,1|1,0,0]=3 9207 B14R1.123 CCCCCCCSc1ccccc1 62a_100000719477_100000210316 [0,1,0,0,0,1|1,0,0]=3 9208 B14R1.123 CCCCCCCSc1ccccn1 62a_100000210614_100011216584 [0,1,0,0,0,1|1,0,0]=3 9209 B14R1.123 CCCCCCCSc1ccccn1 62a_100011216584_100000210316 [0,1,0,0,0,1|1,0,0]=3 9210 B14R1.123 CCCCCCCSc1cccnc1 62a_100000210063_100000210316 [0,1,0,0,0,1|1,0,0]=3 9211 B14R1.123 CCCCCCCSc1cccnc1 62a_100000210614_100000210063 [0,1,0,0,0,1|1,0,0]=3 9212 B14R1.123 CCCCCCCSc1cccnn1 62a_100000210614_100016991348 [0,1,0,0,0,1|1,0,0]=3 9213 B14R1.123 CCCCCCCSc1cccnn1 62a_100016991348_100000210316 [0,1,0,0,0,1|1,0,0]=3 9214 B14R1.123 CCCCCCCSc1ccncc1 62a_100000210614_100000728582 [0,1,0,0,0,1|1,0,0]=3 9215 B14R1.123 CCCCCCCSc1ccncc1 62a_100000728582_100000210316 [0,1,0,0,0,1|1,0,0]=3 9216 B14R1.123 CCCCCCCSc1ccncn1 62a_100000210614_100000703185 [0,1,0,0,0,1|1,0,0]=3 9217 B14R1.123 CCCCCCCSc1ccncn1 62a_100000703185_100000210316 [0,1,0,0,0,1|1,0,0]=3 9218 B14R1.123 CCCCCCCSc1ccnnc1 62a_100000210614_100000732662 [0,1,0,0,0,1|2,0,0]=4 9219 B14R1.123 CCCCCCCSc1ccnnc1 62a_100000732662_100000210316 [0,1,0,0,0,1|2,0,0]=4 9220 B14R1.123 CCCCCCCSc1cnccn1 62a_100000210614_100000211759 [0,1,0,0,0,1|1,0,0]=3 9221 B14R1.123 CCCCCCCSc1cnccn1 62a_100000211759_100000210316 [0,1,0,0,0,1|1,0,0]=3 9222 B14R1.123 CCCCCCCSc1cncnc1 62a_100000210614_100011206942 [0,1,0,0,0,1|2,0,0]=4 9223 B14R1.123 CCCCCCCSc1cncnc1 62a_100011206942_100000210316 [0,1,0,0,0,1|2,0,0]=4 9224 B14R1.123 CCCCCCCSc1ncccn1 62a_100000210614_100000211032 [0,1,0,0,0,1|1,0,0]=3 9225 B14R1.123 CCCCCCCSc1ncccn1 62a_100000211032_100000210316 [0,1,0,0,0,1|1,0,0]=3 9226 B14R1.123 CCCCCCNCc1ccccc1 207a_100000210581_100015611070 [0,1,0,0,0,1|1,0,0]=3 9227 B14R1.123 CCCCCCNCc1ccccc1 2230a_100000210581_100015291786 [0,1,0,0,0,1|1,0,0]=3 9228 B14R1.123 CCCCCCNCc1ccccc1 2230a_100015324214_100000210314 [0,1,0,0,0,1|1,0,0]=3 9229 B14R1.123 CCCCCCNCc1ccccc1 270004a_100000210581_100015611070 [0,1,0,0,0,1|1,0,0]=3 9230 B14R1.123 CCCCCCNCc1ccccc1 34a_100015324214_100000210314 [0,1,0,0,0,1|1,0,0]=3 9231 B14R1.123 CCCCCCNCc1ccccn1 207a_100000210581_100000209966 [0,1,0,0,0,1|1,0,0]=3 9232 B14R1.123 CCCCCCNCc1ccccn1 2230a_100000210581_100000721315 [0,1,0,0,0,1|1,0,0]=3 9233 B14R1.123 CCCCCCNCc1ccccn1 270004a_100000210581_100000209966 [0,1,0,0,0,1|1,0,0]=3 9234 B14R1.123 CCCCCCNCc1cccnc1 207a_100000210581_100000209961 [0,1,0,0,0,1|1,0,0]=3 9235 B14R1.123 CCCCCCNCc1cccnc1 2230a_100000210581_100000741622 [0,1,0,0,0,1|1,0,0]=3 9236 B14R1.123 CCCCCCNCc1cccnc1 270004a_100000210581_100000209961 [0,1,0,0,0,1|1,0,0]=3 9237 B14R1.123 CCCCCCNCc1cccnn1 2230a_100000210581_100016990269 [0,1,0,0,0,1|1,0,0]=3 9238 B14R1.123 CCCCCCNCc1cccnn1 2230a_100159270163_100000210314 [0,1,0,0,0,1|1,0,0]=3 9239 B14R1.123 CCCCCCNCc1ccncc1 207a_100000210581_100000186114 [0,1,0,0,0,1|1,0,0]=3 9240 B14R1.123 CCCCCCNCc1ccncc1 2230a_100000210581_100015193705 [0,1,0,0,0,1|1,0,0]=3 9241 B14R1.123 CCCCCCNCc1ccnnc1 270004a_100000210581_100011934578 [0,1,0,0,0,1|2,0,0]=4 9242 B14R1.123 CCCCCCNCc1cnccn1 2230a_100000210581_100016995436 [0,1,0,0,0,1|1,0,0]=3 9243 B14R1.123 CCCCCCNCc1cnccn1 270004a_100000210581_100000749867 [0,1,0,0,0,1|1,0,0]=3 9244 B14R1.123 CCCCCCNCc1cncnc1 2230a_100000210581_100015196519 [0,1,0,0,0,1|2,0,0]=4 9245 B14R1.123 CCCCCCNCc1cncnc1 2230a_100011243677_100000210314 [0,1,0,0,0,1|2,0,0]=4 9246 B14R1.123 CCCCCCNCc1cncnc1 270004a_100000210581_100000749868 [0,1,0,0,0,1|2,0,0]=4 9247 B14R1.123 CCCCCCNCc1ncccn1 2230a_100000210581_100000703007 [0,1,0,0,0,1|1,0,0]=3 9248 B14R1.123 CCCCCCNCc1ncccn1 270004a_100000210581_100011532527 [0,1,0,0,0,1|1,0,0]=3 9249 B14R1.123 CCCCCCOCC1CCC=CO1 34a_100011217868_100000210314 [0,1,0,0,0,1|0,0,2]=4 9250 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210259_100015291786 [0,1,0,0,0,1|1,0,0]=3 9251 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210790_100000210314 [0,1,0,0,0,1|1,0,0]=3 9252 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210259_100000211182 [0,1,0,0,0,1|1,0,0]=3 9253 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210790_100000210314 [0,1,0,0,0,1|1,0,0]=3 9254 B14R1.123 CCCCCCOCc1ccccn1 34a_100000210259_100000721315 [0,1,0,0,0,1|1,0,0]=3 9255 B14R1.123 CCCCCCOCc1ccccn1 7a_100000210259_100000721315 [0,1,0,0,0,1|1,0,0]=3 9256 B14R1.123 CCCCCCOCc1cccnc1 34a_100000210259_100000733263 [0,1,0,0,0,1|1,0,0]=3 9257 B14R1.123 CCCCCCOCc1cccnc1 7a_100000210259_100000741622 [0,1,0,0,0,1|1,0,0]=3 9258 B14R1.123 CCCCCCOCc1cccnn1 34a_100000210259_100016990269 [0,1,0,0,0,1|1,0,0]=3 9259 B14R1.123 CCCCCCOCc1cccnn1 7a_100000210259_100016990269 [0,1,0,0,0,1|1,0,0]=3 9260 B14R1.123 CCCCCCOCc1ccncc1 7a_100000210259_100015193705 [0,1,0,0,0,1|1,0,0]=3 9261 B14R1.123 CCCCCCOCc1cnccn1 34a_100000210259_100016995436 [0,1,0,0,0,1|1,0,0]=3 9262 B14R1.123 CCCCCCOCc1cnccn1 7a_100000210259_100016995436 [0,1,0,0,0,1|1,0,0]=3 9263 B14R1.123 CCCCCCOCc1cncnc1 34a_100000210259_100015196519 [0,1,0,0,0,1|2,0,0]=4 9264 B14R1.123 CCCCCCOCc1cncnc1 7a_100000210259_100015196519 [0,1,0,0,0,1|2,0,0]=4 9265 B14R1.123 CCCCCCOCc1ncccn1 34a_100000210259_100000703007 [0,1,0,0,0,1|1,0,0]=3 9266 B14R1.123 CCCCCCOCc1ncccn1 7a_100000210259_100000703007 [0,1,0,0,0,1|1,0,0]=3 9267 B14R1.123 CCCCCCSCc1ccccc1 62a_100000210314_100015291786 [0,1,0,0,0,1|1,0,0]=3 9268 B14R1.123 CCCCCCSCc1ccccc1 62a_100000211182_100000210757 [0,1,0,0,0,1|1,0,0]=3 9269 B14R1.123 CCCCCCSCc1ccccn1 62a_100000210314_100000721315 [0,1,0,0,0,1|1,0,0]=3 9270 B14R1.123 CCCCCCSCc1ccccn1 62a_100000721315_100000210757 [0,1,0,0,0,1|1,0,0]=3 9271 B14R1.123 CCCCCCSCc1cccnc1 62a_100000210314_100000741622 [0,1,0,0,0,1|1,0,0]=3 9272 B14R1.123 CCCCCCSCc1cccnc1 62a_100000741622_100000210757 [0,1,0,0,0,1|1,0,0]=3 9273 B14R1.123 CCCCCCSCc1cccnn1 62a_100000210314_100016990269 [0,1,0,0,0,1|1,0,0]=3 9274 B14R1.123 CCCCCCSCc1cccnn1 62a_100016990269_100000210757 [0,1,0,0,0,1|1,0,0]=3 9275 B14R1.123 CCCCCCSCc1ccncc1 62a_100000210314_100015193705 [0,1,0,0,0,1|1,0,0]=3 9276 B14R1.123 CCCCCCSCc1ccncc1 62a_100015193705_100000210757 [0,1,0,0,0,1|1,0,0]=3 9277 B14R1.123 CCCCCCSCc1cnccn1 62a_100000210314_100016995436 [0,1,0,0,0,1|1,0,0]=3 9278 B14R1.123 CCCCCCSCc1cnccn1 62a_100016995436_100000210757 [0,1,0,0,0,1|1,0,0]=3 9279 B14R1.123 CCCCCCSCc1cncnc1 62a_100000210314_100015196519 [0,1,0,0,0,1|2,0,0]=4 9280 B14R1.123 CCCCCCSCc1cncnc1 62a_100015196519_100000210757 [0,1,0,0,0,1|2,0,0]=4 9281 B14R1.123 CCCCCCSCc1ncccn1 62a_100000210314_100000703007 [0,1,0,0,0,1|1,0,0]=3 9282 B14R1.123 CCCCCCSCc1ncccn1 62a_100000703007_100000210757 [0,1,0,0,0,1|1,0,0]=3 9283 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000106460_100000210326 [0,1,0,0,0,1|1,0,0]=3 9284 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000209983_100000765856 [0,1,0,0,0,1|1,0,0]=3 9285 B14R1.123 CCCCCNCCc1ccccc1 34a_100000106460_100000718602 [0,1,0,0,0,1|1,0,0]=3 9286 B14R1.123 CCCCCNCCc1ccccn1 2230a_100000209983_100015183660 [0,1,0,0,0,1|1,0,0]=3 9287 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000209983_200011713674 [0,1,0,0,0,1|1,0,0]=3 9288 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000736294_100000210326 [0,1,0,0,0,1|1,0,0]=3 9289 B14R1.123 CCCCCNCCc1ccncc1 2230a_100000209983_100000723409 [0,1,0,0,0,1|1,0,0]=3 9290 B14R1.123 CCCCCNCSc1ccccc1 2230a_100000209983_100011218342 [0,1,0,0,0,1|2,0,0]=4 9291 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210253_100000765856 [0,1,0,0,0,1|1,0,0]=3 9292 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210268_100000718602 [0,1,0,0,0,1|1,0,0]=3 9293 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210253_100000765856 [0,1,0,0,0,1|1,0,0]=3 9294 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210268_100000210326 [0,1,0,0,0,1|1,0,0]=3 9295 B14R1.123 CCCCCOCCc1ccccn1 34a_100000210271_100000718602 [0,1,0,0,0,1|1,0,0]=3 9296 B14R1.123 CCCCCOCCc1ccccn1 7a_100000210253_100015183660 [0,1,0,0,0,1|1,0,0]=3 9297 B14R1.123 CCCCCOCCc1cccnc1 34a_100011217484_100000718602 [0,1,0,0,0,1|1,0,0]=3 9298 B14R1.123 CCCCCOCCc1cccnc1 7a_100000210253_200011713674 [0,1,0,0,0,1|1,0,0]=3 9299 B14R1.123 CCCCCOCCc1ccncc1 34a_100011216225_100000718602 [0,1,0,0,0,1|1,0,0]=3 9300 B14R1.123 CCCCCOCCc1ccncc1 7a_100000210253_100000723409 [0,1,0,0,0,1|1,0,0]=3 9301 B14R1.123 CCCCCOCCc1cnccn1 34a_100011349526_100000718602 [0,1,0,0,0,1|1,0,0]=3 9302 B14R1.123 CCCCCOCCc1cncnc1 34a_100011709255_100000718602 [0,1,0,0,0,1|2,0,0]=4 9303 B14R1.123 CCCCCSCCc1ccccc1 62a_100000210326_100011218657 [0,1,0,0,0,1|1,0,0]=3 9304 B14R1.123 CCCCCSCCc1ccccc1 62a_100000765856_100000210326 [0,1,0,0,0,1|1,0,0]=3 9305 B14R1.123 CCCCCSCCc1ccccn1 62a_100000210326_100015183660 [0,1,0,0,0,1|1,0,0]=3 9306 B14R1.123 CCCCCSCCc1ccccn1 62a_100015183660_100000210326 [0,1,0,0,0,1|1,0,0]=3 9307 B14R1.123 CCCCCSCCc1cccnc1 62a_100000210326_200011713674 [0,1,0,0,0,1|1,0,0]=3 9308 B14R1.123 CCCCCSCCc1cccnc1 62a_200011713674_100000210326 [0,1,0,0,0,1|1,0,0]=3 9309 B14R1.123 CCCCCSCCc1ccncc1 62a_100000210326_100000723409 [0,1,0,0,0,1|1,0,0]=3 9310 B14R1.123 CCCCCSCCc1ccncc1 62a_100000723409_100000210326 [0,1,0,0,0,1|1,0,0]=3 9311 B14R1.123 CCCCCSCSc1ccccc1 62a_100000210326_100011218342 [0,1,0,0,0,1|2,0,0]=4 9312 B14R1.123 CCCCCSCSc1ccccc1 62a_100011218342_100000210326 [0,1,0,0,0,1|2,0,0]=4 9313 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [0,1,0,0,0,1|1,0,0]=3 9314 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [0,1,0,0,0,1|1,0,0]=3 9315 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [0,1,0,0,0,1|1,0,0]=3 9316 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [0,1,0,0,0,1|1,0,0]=3 9317 B14R1.123 CCCCNCCCc1cccnc1 2230a_100011532358_100000210211 [0,1,0,0,0,1|1,0,0]=3 9318 B14R1.123 CCCCNCCCc1cccnc1 34a_100011532358_100000210210 [0,1,0,0,0,1|1,0,0]=3 9319 B14R1.123 CCCCNCCCc1ccncc1 2230a_100011275580_100000210211 [0,1,0,0,0,1|1,0,0]=3 9320 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000102301_100000184471 [0,1,0,0,0,1|2,0,0]=4 9321 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000174943_100000210211 [0,1,0,0,0,1|2,0,0]=4 9322 B14R1.123 CCCCNCCOc1ccccc1 270004a_100000102301_100000758736 [0,1,0,0,0,1|2,0,0]=4 9323 B14R1.123 CCCCNCCOc1ccccc1 34a_100000174943_100000210210 [0,1,0,0,0,1|2,0,0]=4 9324 B14R1.123 CCCCNCCOc1ccccc1 7a_106832991798_100000184471 [0,1,0,0,0,1|2,0,0]=4 9325 B14R1.123 CCCCNCCOc1ccccn1 2230a_106741647558_100000210211 [0,1,0,0,0,1|2,0,0]=4 9326 B14R1.123 CCCCNCCOc1cccnc1 2230a_100000754688_100000210211 [0,1,0,0,0,1|2,0,0]=4 9327 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000102301_100000246102 [0,1,0,0,0,1|2,0,0]=4 9328 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000189519_100000210211 [0,1,0,0,0,1|2,0,0]=4 9329 B14R1.123 CCCCNCCSc1ccccc1 7a_106832991798_100000246102 [0,1,0,0,0,1|2,0,0]=4 9330 B14R1.123 CCCCNCOCc1ccccc1 2230a_100000102301_100000763385 [0,1,0,0,0,1|2,0,0]=4 9331 B14R1.123 CCCCNCSCc1ccccc1 2230a_100000102301_200011217039 [0,1,0,0,0,1|2,0,0]=4 9332 B14R1.123 CCCCOCCCC1=CCC=CC1 34a_100020667889_100000210210 [0,1,0,0,0,1|1,0,0]=3 9333 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [0,1,0,0,0,1|1,0,0]=3 9334 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [0,1,0,0,0,1|1,0,0]=3 9335 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [0,1,0,0,0,1|1,0,0]=3 9336 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [0,1,0,0,0,1|1,0,0]=3 9337 B14R1.123 CCCCOCCCc1ccccn1 34a_100011215068_100000210210 [0,1,0,0,0,1|1,0,0]=3 9338 B14R1.123 CCCCOCCCc1cccnc1 34a_100000211284_100000210210 [0,1,0,0,0,1|1,0,0]=3 9339 B14R1.123 CCCCOCCCc1ccncc1 34a_100000210659_100000210210 [0,1,0,0,0,1|1,0,0]=3 9340 B14R1.123 CCCCOCCNc1ccccc1 34a_100000106764_100000743108 [0,1,0,0,0,1|2,0,0]=4 9341 B14R1.123 CCCCOCCNc1ccccc1 34a_100000211345_100000210210 [0,1,0,0,0,1|2,0,0]=4 9342 B14R1.123 CCCCOCCNc1ccncc1 34a_200011243140_100000210210 [0,1,0,0,0,1|2,0,0]=4 9343 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210227_100000184471 [0,1,0,0,0,1|2,0,0]=4 9344 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210260_100000210210 [0,1,0,0,0,1|2,0,0]=4 9345 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210340_100000743108 [0,1,0,0,0,1|2,0,0]=4 9346 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210227_100000184471 [0,1,0,0,0,1|2,0,0]=4 9347 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210260_100000210211 [0,1,0,0,0,1|2,0,0]=4 9348 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210340_100000743108 [0,1,0,0,0,1|2,0,0]=4 9349 B14R1.123 CCCCOCCOc1cccnc1 34a_100000210849_100000743108 [0,1,0,0,0,1|2,0,0]=4 9350 B14R1.123 CCCCOCCOc1cccnc1 7a_100000210849_100000743108 [0,1,0,0,0,1|2,0,0]=4 9351 B14R1.123 CCCCOCCOc1ccncc1 34a_100000212176_100000743108 [0,1,0,0,0,1|2,0,0]=4 9352 B14R1.123 CCCCOCCSc1ccccc1 34a_100000210227_100000246102 [0,1,0,0,0,1|2,0,0]=4 9353 B14R1.123 CCCCOCCSc1ccccc1 62a_100000719477_100000743108 [0,1,0,0,0,1|2,0,0]=4 9354 B14R1.123 CCCCOCCSc1ccccc1 62a_100000743108_100000041952 [0,1,0,0,0,1|2,0,0]=4 9355 B14R1.123 CCCCOCCSc1ccccc1 7a_100000210227_100000246102 [0,1,0,0,0,1|2,0,0]=4 9356 B14R1.123 CCCCOCCSc1ccccc1 7a_100000230494_100000210211 [0,1,0,0,0,1|2,0,0]=4 9357 B14R1.123 CCCCOCCSc1ccccn1 62a_100000743108_100011216584 [0,1,0,0,0,1|2,0,0]=4 9358 B14R1.123 CCCCOCCSc1ccccn1 62a_100011216584_100000743108 [0,1,0,0,0,1|2,0,0]=4 9359 B14R1.123 CCCCOCCSc1ccccn1 7a_100000156319_100000210211 [0,1,0,0,0,1|2,0,0]=4 9360 B14R1.123 CCCCOCCSc1cccnc1 62a_100000210063_100000743108 [0,1,0,0,0,1|2,0,0]=4 9361 B14R1.123 CCCCOCCSc1cccnc1 62a_100000743108_100000210063 [0,1,0,0,0,1|2,0,0]=4 9362 B14R1.123 CCCCOCCSc1cccnn1 62a_100000743108_100016991348 [0,1,0,0,0,1|2,0,0]=4 9363 B14R1.123 CCCCOCCSc1cccnn1 62a_100016991348_100000743108 [0,1,0,0,0,1|2,0,0]=4 9364 B14R1.123 CCCCOCCSc1ccncc1 62a_100000728582_100000743108 [0,1,0,0,0,1|2,0,0]=4 9365 B14R1.123 CCCCOCCSc1ccncc1 62a_100000743108_100000728582 [0,1,0,0,0,1|2,0,0]=4 9366 B14R1.123 CCCCOCCSc1ccncn1 62a_100000703185_100000743108 [0,1,0,0,0,1|2,0,0]=4 9367 B14R1.123 CCCCOCCSc1ccncn1 62a_100000743108_100000703185 [0,1,0,0,0,1|2,0,0]=4 9368 B14R1.123 CCCCOCCSc1cnccn1 62a_100000211759_100000743108 [0,1,0,0,0,1|2,0,0]=4 9369 B14R1.123 CCCCOCCSc1cnccn1 62a_100000743108_100000211759 [0,1,0,0,0,1|2,0,0]=4 9370 B14R1.123 CCCCOCCSc1ncccn1 62a_100000211032_100000743108 [0,1,0,0,0,1|2,0,0]=4 9371 B14R1.123 CCCCOCCSc1ncccn1 62a_100000743108_100000211032 [0,1,0,0,0,1|2,0,0]=4 9372 B14R1.123 CCCCOCNCc1ccccc1 2230a_100015324214_100011995733 [0,1,0,0,0,1|2,0,0]=4 9373 B14R1.123 CCCCOCNCc1ccccc1 34a_100015324214_100011995733 [0,1,0,0,0,1|2,0,0]=4 9374 B14R1.123 CCCCOCNCc1cccnn1 2230a_100159270163_100011995733 [0,1,0,0,0,1|2,0,0]=4 9375 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210227_100000763385 [0,1,0,0,0,1|2,0,0]=4 9376 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210790_100011995733 [0,1,0,0,0,1|2,0,0]=4 9377 B14R1.123 CCCCOCSCc1ccccc1 34a_100000210227_200011217039 [0,1,0,0,0,1|2,0,0]=4 9378 B14R1.123 CCCCOCSCc1ccccc1 62a_100000211182_100011995733 [0,1,0,0,0,1|2,0,0]=4 9379 B14R1.123 CCCCOCSCc1ccccc1 62a_100011995733_100015291786 [0,1,0,0,0,1|2,0,0]=4 9380 B14R1.123 CCCCOCSCc1ccccn1 62a_100000721315_100011995733 [0,1,0,0,0,1|2,0,0]=4 9381 B14R1.123 CCCCOCSCc1ccccn1 62a_100011995733_100000721315 [0,1,0,0,0,1|2,0,0]=4 9382 B14R1.123 CCCCOCSCc1cccnc1 62a_100000741622_100011995733 [0,1,0,0,0,1|2,0,0]=4 9383 B14R1.123 CCCCOCSCc1cccnc1 62a_100011995733_100000741622 [0,1,0,0,0,1|2,0,0]=4 9384 B14R1.123 CCCCOCSCc1cccnn1 62a_100011995733_100016990269 [0,1,0,0,0,1|2,0,0]=4 9385 B14R1.123 CCCCOCSCc1cccnn1 62a_100016990269_100011995733 [0,1,0,0,0,1|2,0,0]=4 9386 B14R1.123 CCCCOCSCc1ccncc1 62a_100011995733_100015193705 [0,1,0,0,0,1|2,0,0]=4 9387 B14R1.123 CCCCOCSCc1ccncc1 62a_100015193705_100011995733 [0,1,0,0,0,1|2,0,0]=4 9388 B14R1.123 CCCCOCSCc1cnccn1 62a_100011995733_100016995436 [0,1,0,0,0,1|2,0,0]=4 9389 B14R1.123 CCCCOCSCc1cnccn1 62a_100016995436_100011995733 [0,1,0,0,0,1|2,0,0]=4 9390 B14R1.123 CCCCOCSCc1ncccn1 62a_100000703007_100011995733 [0,1,0,0,0,1|2,0,0]=4 9391 B14R1.123 CCCCOCSCc1ncccn1 62a_100011995733_100000703007 [0,1,0,0,0,1|2,0,0]=4 9392 B14R1.123 CCCCSCCCc1ccccc1 62a_100000210211_100000211621 [0,1,0,0,0,1|1,0,0]=3 9393 B14R1.123 CCCCSCCCc1ccccc1 62a_100000211621_100000210210 [0,1,0,0,0,1|1,0,0]=3 9394 B14R1.123 CCCCSCCNc1cccnn1 27a_100025743550_100016991348 [0,1,0,0,0,1|2,0,0]=4 9395 B14R1.123 CCCCSCCNc1ccncn1 27a_100025743550_100000703185 [0,1,0,0,0,1|2,0,0]=4 9396 B14R1.123 CCCCSCCNc1cnccn1 27a_100025743550_100000211759 [0,1,0,0,0,1|2,0,0]=4 9397 B14R1.123 CCCCSCCNc1ncccn1 27a_100025743550_100000211032 [0,1,0,0,0,1|2,0,0]=4 9398 B14R1.123 CCCCSCCOc1ccccc1 62a_100000184471_100000210210 [0,1,0,0,0,1|2,0,0]=4 9399 B14R1.123 CCCCSCCOc1ccccc1 62a_100000210211_100000184471 [0,1,0,0,0,1|2,0,0]=4 9400 B14R1.123 CCCCSCCSc1ccccc1 62a_100000210211_100000246102 [0,1,0,0,0,1|2,0,0]=4 9401 B14R1.123 CCCCSCCSc1ccccc1 62a_100000246102_100000210210 [0,1,0,0,0,1|2,0,0]=4 9402 B14R1.123 CCCCSCOCc1ccccc1 62a_100000210211_100000763385 [0,1,0,0,0,1|2,0,0]=4 9403 B14R1.123 CCCCSCOCc1ccccc1 62a_100000763385_100000210210 [0,1,0,0,0,1|2,0,0]=4 9404 B14R1.123 CCCCSCSCc1ccccc1 62a_100000210211_200011217039 [0,1,0,0,0,1|2,0,0]=4 9405 B14R1.123 CCCCSCSCc1ccccc1 62a_200011217039_100000210210 [0,1,0,0,0,1|2,0,0]=4 9406 B14R1.123 CCCNCCCCc1ccccc1 2230a_100015280158_100000210303 [0,1,0,0,0,1|1,0,0]=3 9407 B14R1.123 CCCNCCCCc1ccccc1 34a_100015280158_100000210303 [0,1,0,0,0,1|1,0,0]=3 9408 B14R1.123 CCCNCCCOc1ccccc1 2230a_100000216521_100000210303 [0,1,0,0,0,1|2,0,0]=4 9409 B14R1.123 CCCNCCCOc1ccccc1 34a_100000216521_100000210303 [0,1,0,0,0,1|2,0,0]=4 9410 B14R1.123 CCCNCCCSc1ccccc1 2230a_100000184639_100000210303 [0,1,0,0,0,1|2,0,0]=4 9411 B14R1.123 CCCNCCOCc1ccccc1 2230a_100000753106_100000210303 [0,1,0,0,0,1|2,0,0]=4 9412 B14R1.123 CCCNCCOCc1ccccc1 34a_100000753106_100000210303 [0,1,0,0,0,1|2,0,0]=4 9413 B14R1.123 CCCNCCSCc1ccccc1 2230a_100000189534_100000210303 [0,1,0,0,0,1|2,0,0]=4 9414 B14R1.123 CCCNCCSCc1ccccc1 34a_100000189534_100000210303 [0,1,0,0,0,1|2,0,0]=4 9415 B14R1.123 CCCNCCSCc1ccccc1 7a_100000189534_100000210303 [0,1,0,0,0,1|2,0,0]=4 9416 B14R1.123 CCCOCCCCc1ccccc1 34a_100000210258_100000701786 [0,1,0,0,0,1|1,0,0]=3 9417 B14R1.123 CCCOCCCCc1ccccc1 34a_100000703073_100000210303 [0,1,0,0,0,1|1,0,0]=3 9418 B14R1.123 CCCOCCCCc1ccccc1 7a_100000703073_100000210303 [0,1,0,0,0,1|1,0,0]=3 9419 B14R1.123 CCCOCCCCc1ccccn1 34a_100012186994_100000210303 [0,1,0,0,0,1|1,0,0]=3 9420 B14R1.123 CCCOCCCCc1cccnc1 34a_100012039607_100000210303 [0,1,0,0,0,1|1,0,0]=3 9421 B14R1.123 CCCOCCCCc1cccnc1 7a_100012039607_100000210303 [0,1,0,0,0,1|1,0,0]=3 9422 B14R1.123 CCCOCCCCc1ccncc1 34a_100011787716_100000210303 [0,1,0,0,0,1|1,0,0]=3 9423 B14R1.123 CCCOCCCNc1ccccc1 34a_100000212590_100000210303 [0,1,0,0,0,1|2,0,0]=4 9424 B14R1.123 CCCOCCCNc1cccnn1 27a_100011217757_100016991348 [0,1,0,0,0,1|2,0,0]=4 9425 B14R1.123 CCCOCCCNc1ccncn1 27a_100011217757_100000703185 [0,1,0,0,0,1|2,0,0]=4 9426 B14R1.123 CCCOCCCNc1cnccn1 27a_100011217757_100000211759 [0,1,0,0,0,1|2,0,0]=4 9427 B14R1.123 CCCOCCCNc1ncccn1 27a_100011217757_100000211032 [0,1,0,0,0,1|2,0,0]=4 9428 B14R1.123 CCCOCCCOc1ccccc1 34a_100000210258_100000199009 [0,1,0,0,0,1|2,0,0]=4 9429 B14R1.123 CCCOCCCOc1ccccc1 34a_100011215863_100000210303 [0,1,0,0,0,1|2,0,0]=4 9430 B14R1.123 CCCOCCCOc1ccccc1 7a_100011215863_100000210303 [0,1,0,0,0,1|2,0,0]=4 9431 B14R1.123 CCCOCCCSc1ccccc1 34a_100000210258_200011203293 [0,1,0,0,0,1|2,0,0]=4 9432 B14R1.123 CCCOCCNCc1ccccc1 207a_100161115042_100015611070 [0,1,0,0,0,1|2,0,0]=4 9433 B14R1.123 CCCOCCNCc1ccccc1 2230a_100015324214_100011215938 [0,1,0,0,0,1|2,0,0]=4 9434 B14R1.123 CCCOCCNCc1ccccc1 2230a_100161115042_100015291786 [0,1,0,0,0,1|2,0,0]=4 9435 B14R1.123 CCCOCCNCc1ccccc1 270004a_100161115042_100015611070 [0,1,0,0,0,1|2,0,0]=4 9436 B14R1.123 CCCOCCNCc1ccccc1 34a_100000180844_100000210303 [0,1,0,0,0,1|2,0,0]=4 9437 B14R1.123 CCCOCCNCc1ccccc1 34a_100015324214_100011215938 [0,1,0,0,0,1|2,0,0]=4 9438 B14R1.123 CCCOCCNCc1ccccc1 34a_100161115042_100015291786 [0,1,0,0,0,1|2,0,0]=4 9439 B14R1.123 CCCOCCNCc1ccccn1 207a_100161115042_100000209966 [0,1,0,0,0,1|2,0,0]=4 9440 B14R1.123 CCCOCCNCc1ccccn1 2230a_100161115042_100000721315 [0,1,0,0,0,1|2,0,0]=4 9441 B14R1.123 CCCOCCNCc1ccccn1 270004a_100161115042_100000209966 [0,1,0,0,0,1|2,0,0]=4 9442 B14R1.123 CCCOCCNCc1ccccn1 34a_100161115042_100000721315 [0,1,0,0,0,1|2,0,0]=4 9443 B14R1.123 CCCOCCNCc1cccnc1 207a_100161115042_100000209961 [0,1,0,0,0,1|2,0,0]=4 9444 B14R1.123 CCCOCCNCc1cccnc1 2230a_100161115042_100000741622 [0,1,0,0,0,1|2,0,0]=4 9445 B14R1.123 CCCOCCNCc1cccnc1 270004a_100161115042_100000209961 [0,1,0,0,0,1|2,0,0]=4 9446 B14R1.123 CCCOCCNCc1cccnc1 34a_100161115042_100000733263 [0,1,0,0,0,1|2,0,0]=4 9447 B14R1.123 CCCOCCNCc1cccnn1 2230a_100159270163_100011215938 [0,1,0,0,0,1|2,0,0]=4 9448 B14R1.123 CCCOCCNCc1cccnn1 2230a_100161115042_100016990269 [0,1,0,0,0,1|2,0,0]=4 9449 B14R1.123 CCCOCCNCc1cccnn1 34a_100161115042_100016990269 [0,1,0,0,0,1|2,0,0]=4 9450 B14R1.123 CCCOCCNCc1ccncc1 207a_100161115042_100000186114 [0,1,0,0,0,1|2,0,0]=4 9451 B14R1.123 CCCOCCNCc1ccncc1 2230a_100161115042_100015193705 [0,1,0,0,0,1|2,0,0]=4 9452 B14R1.123 CCCOCCNCc1cnccn1 2230a_100161115042_100016995436 [0,1,0,0,0,1|2,0,0]=4 9453 B14R1.123 CCCOCCNCc1cnccn1 270004a_100161115042_100000749867 [0,1,0,0,0,1|2,0,0]=4 9454 B14R1.123 CCCOCCNCc1cnccn1 34a_100161115042_100016995436 [0,1,0,0,0,1|2,0,0]=4 9455 B14R1.123 CCCOCCNCc1ncccn1 2230a_100161115042_100000703007 [0,1,0,0,0,1|2,0,0]=4 9456 B14R1.123 CCCOCCNCc1ncccn1 270004a_100161115042_100011532527 [0,1,0,0,0,1|2,0,0]=4 9457 B14R1.123 CCCOCCNCc1ncccn1 34a_100161115042_100000703007 [0,1,0,0,0,1|2,0,0]=4 9458 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210258_100000234347 [0,1,0,0,0,1|2,0,0]=4 9459 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210790_100011215938 [0,1,0,0,0,1|2,0,0]=4 9460 B14R1.123 CCCOCCOCc1ccccc1 34a_100000752267_100015291786 [0,1,0,0,0,1|2,0,0]=4 9461 B14R1.123 CCCOCCOCc1ccccc1 34a_100000759325_100000210303 [0,1,0,0,0,1|2,0,0]=4 9462 B14R1.123 CCCOCCOCc1ccccc1 7a_100000210790_100011215938 [0,1,0,0,0,1|2,0,0]=4 9463 B14R1.123 CCCOCCOCc1ccccc1 7a_100000752267_100000211182 [0,1,0,0,0,1|2,0,0]=4 9464 B14R1.123 CCCOCCOCc1ccccc1 7a_100000759325_100000210303 [0,1,0,0,0,1|2,0,0]=4 9465 B14R1.123 CCCOCCOCc1ccccn1 34a_100000752267_100000721315 [0,1,0,0,0,1|2,0,0]=4 9466 B14R1.123 CCCOCCOCc1ccccn1 7a_100000752267_100000721315 [0,1,0,0,0,1|2,0,0]=4 9467 B14R1.123 CCCOCCOCc1cccnc1 34a_100000752267_100000733263 [0,1,0,0,0,1|2,0,0]=4 9468 B14R1.123 CCCOCCOCc1cccnc1 7a_100000752267_100000741622 [0,1,0,0,0,1|2,0,0]=4 9469 B14R1.123 CCCOCCOCc1cccnn1 34a_100000752267_100016990269 [0,1,0,0,0,1|2,0,0]=4 9470 B14R1.123 CCCOCCOCc1cccnn1 7a_100000752267_100016990269 [0,1,0,0,0,1|2,0,0]=4 9471 B14R1.123 CCCOCCOCc1ccncc1 7a_100000752267_100015193705 [0,1,0,0,0,1|2,0,0]=4 9472 B14R1.123 CCCOCCOCc1cnccn1 34a_100000752267_100016995436 [0,1,0,0,0,1|2,0,0]=4 9473 B14R1.123 CCCOCCOCc1cnccn1 7a_100000752267_100016995436 [0,1,0,0,0,1|2,0,0]=4 9474 B14R1.123 CCCOCCOCc1ncccn1 34a_100000752267_100000703007 [0,1,0,0,0,1|2,0,0]=4 9475 B14R1.123 CCCOCCOCc1ncccn1 7a_100000752267_100000703007 [0,1,0,0,0,1|2,0,0]=4 9476 B14R1.123 CCCOCCSCc1ccccc1 34a_100000210258_200011297719 [0,1,0,0,0,1|2,0,0]=4 9477 B14R1.123 CCCOCCSCc1ccccc1 34a_100011205989_100000210303 [0,1,0,0,0,1|2,0,0]=4 9478 B14R1.123 CCCOCCSCc1ccccc1 62a_100000211182_100011215938 [0,1,0,0,0,1|2,0,0]=4 9479 B14R1.123 CCCOCCSCc1ccccc1 62a_100011215938_100015291786 [0,1,0,0,0,1|2,0,0]=4 9480 B14R1.123 CCCOCCSCc1ccccc1 7a_100011205989_100000210303 [0,1,0,0,0,1|2,0,0]=4 9481 B14R1.123 CCCOCCSCc1ccccn1 62a_100000721315_100011215938 [0,1,0,0,0,1|2,0,0]=4 9482 B14R1.123 CCCOCCSCc1ccccn1 62a_100011215938_100000721315 [0,1,0,0,0,1|2,0,0]=4 9483 B14R1.123 CCCOCCSCc1cccnc1 62a_100000741622_100011215938 [0,1,0,0,0,1|2,0,0]=4 9484 B14R1.123 CCCOCCSCc1cccnc1 62a_100011215938_100000741622 [0,1,0,0,0,1|2,0,0]=4 9485 B14R1.123 CCCOCCSCc1cccnn1 62a_100011215938_100016990269 [0,1,0,0,0,1|2,0,0]=4 9486 B14R1.123 CCCOCCSCc1cccnn1 62a_100016990269_100011215938 [0,1,0,0,0,1|2,0,0]=4 9487 B14R1.123 CCCOCCSCc1ccncc1 62a_100011215938_100015193705 [0,1,0,0,0,1|2,0,0]=4 9488 B14R1.123 CCCOCCSCc1ccncc1 62a_100015193705_100011215938 [0,1,0,0,0,1|2,0,0]=4 9489 B14R1.123 CCCOCCSCc1cnccn1 62a_100011215938_100016995436 [0,1,0,0,0,1|2,0,0]=4 9490 B14R1.123 CCCOCCSCc1cnccn1 62a_100016995436_100011215938 [0,1,0,0,0,1|2,0,0]=4 9491 B14R1.123 CCCOCCSCc1ncccn1 62a_100000703007_100011215938 [0,1,0,0,0,1|2,0,0]=4 9492 B14R1.123 CCCOCCSCc1ncccn1 62a_100011215938_100000703007 [0,1,0,0,0,1|2,0,0]=4 9493 B14R1.123 CCCSCCCCc1ccccc1 62a_100000210303_100000701786 [0,1,0,0,0,1|1,0,0]=3 9494 B14R1.123 CCCSCCCCc1ccccc1 62a_100000701786_100000210303 [0,1,0,0,0,1|1,0,0]=3 9495 B14R1.123 CCCSCCCCc1ccncc1 62a_100000210303_100020630000 [0,1,0,0,0,1|1,0,0]=3 9496 B14R1.123 CCCSCCCCc1ccncc1 62a_100020630000_100000210303 [0,1,0,0,0,1|1,0,0]=3 9497 B14R1.123 CCCSCCCOc1ccccc1 62a_100000199009_100000210303 [0,1,0,0,0,1|2,0,0]=4 9498 B14R1.123 CCCSCCCOc1ccccc1 62a_100000210303_100000199009 [0,1,0,0,0,1|2,0,0]=4 9499 B14R1.123 CCCSCCCSc1ccccc1 62a_100000210303_200011203293 [0,1,0,0,0,1|2,0,0]=4 9500 B14R1.123 CCCSCCCSc1ccccc1 62a_200011203293_100000210303 [0,1,0,0,0,1|2,0,0]=4 9501 B14R1.123 CCCSCCNCc1ccccc1 207a_100020603323_100015611070 [0,1,0,0,0,1|2,0,0]=4 9502 B14R1.123 CCCSCCNCc1ccccc1 2230a_100020603323_100015291786 [0,1,0,0,0,1|2,0,0]=4 9503 B14R1.123 CCCSCCNCc1ccccc1 270004a_100020603323_100015611070 [0,1,0,0,0,1|2,0,0]=4 9504 B14R1.123 CCCSCCNCc1ccccn1 207a_100020603323_100000209966 [0,1,0,0,0,1|2,0,0]=4 9505 B14R1.123 CCCSCCNCc1ccccn1 2230a_100020603323_100000721315 [0,1,0,0,0,1|2,0,0]=4 9506 B14R1.123 CCCSCCNCc1ccccn1 270004a_100020603323_100000209966 [0,1,0,0,0,1|2,0,0]=4 9507 B14R1.123 CCCSCCNCc1cccnc1 207a_100020603323_100000209961 [0,1,0,0,0,1|2,0,0]=4 9508 B14R1.123 CCCSCCNCc1cccnc1 2230a_100020603323_100000741622 [0,1,0,0,0,1|2,0,0]=4 9509 B14R1.123 CCCSCCNCc1cccnc1 270004a_100020603323_100000209961 [0,1,0,0,0,1|2,0,0]=4 9510 B14R1.123 CCCSCCNCc1cccnn1 2230a_100020603323_100016990269 [0,1,0,0,0,1|2,0,0]=4 9511 B14R1.123 CCCSCCNCc1ccncc1 207a_100020603323_100000186114 [0,1,0,0,0,1|2,0,0]=4 9512 B14R1.123 CCCSCCNCc1ccncc1 2230a_100020603323_100015193705 [0,1,0,0,0,1|2,0,0]=4 9513 B14R1.123 CCCSCCNCc1cnccn1 2230a_100020603323_100016995436 [0,1,0,0,0,1|2,0,0]=4 9514 B14R1.123 CCCSCCNCc1cnccn1 270004a_100020603323_100000749867 [0,1,0,0,0,1|2,0,0]=4 9515 B14R1.123 CCCSCCNCc1ncccn1 2230a_100020603323_100000703007 [0,1,0,0,0,1|2,0,0]=4 9516 B14R1.123 CCCSCCNCc1ncccn1 270004a_100020603323_100011532527 [0,1,0,0,0,1|2,0,0]=4 9517 B14R1.123 CCCSCCOCc1ccccc1 34a_200000230433_100015291786 [0,1,0,0,0,1|2,0,0]=4 9518 B14R1.123 CCCSCCOCc1ccccc1 62a_100000210303_100000234347 [0,1,0,0,0,1|2,0,0]=4 9519 B14R1.123 CCCSCCOCc1ccccc1 62a_100000234347_100000210303 [0,1,0,0,0,1|2,0,0]=4 9520 B14R1.123 CCCSCCOCc1ccccc1 7a_200000230433_100000211182 [0,1,0,0,0,1|2,0,0]=4 9521 B14R1.123 CCCSCCOCc1ccccn1 34a_200000230433_100000721315 [0,1,0,0,0,1|2,0,0]=4 9522 B14R1.123 CCCSCCOCc1ccccn1 7a_200000230433_100000721315 [0,1,0,0,0,1|2,0,0]=4 9523 B14R1.123 CCCSCCOCc1cccnc1 34a_200000230433_100000733263 [0,1,0,0,0,1|2,0,0]=4 9524 B14R1.123 CCCSCCOCc1cccnc1 7a_200000230433_100000741622 [0,1,0,0,0,1|2,0,0]=4 9525 B14R1.123 CCCSCCOCc1cccnn1 34a_200000230433_100016990269 [0,1,0,0,0,1|2,0,0]=4 9526 B14R1.123 CCCSCCOCc1cccnn1 7a_200000230433_100016990269 [0,1,0,0,0,1|2,0,0]=4 9527 B14R1.123 CCCSCCOCc1ccncc1 7a_200000230433_100015193705 [0,1,0,0,0,1|2,0,0]=4 9528 B14R1.123 CCCSCCOCc1cnccn1 34a_200000230433_100016995436 [0,1,0,0,0,1|2,0,0]=4 9529 B14R1.123 CCCSCCOCc1cnccn1 7a_200000230433_100016995436 [0,1,0,0,0,1|2,0,0]=4 9530 B14R1.123 CCCSCCOCc1ncccn1 34a_200000230433_100000703007 [0,1,0,0,0,1|2,0,0]=4 9531 B14R1.123 CCCSCCOCc1ncccn1 7a_200000230433_100000703007 [0,1,0,0,0,1|2,0,0]=4 9532 B14R1.123 CCCSCCSCc1ccccc1 62a_100000210303_200011297719 [0,1,0,0,0,1|2,0,0]=4 9533 B14R1.123 CCCSCCSCc1ccccc1 62a_200011297719_100000210303 [0,1,0,0,0,1|2,0,0]=4 9534 B14R1.123 CCNCCCCCc1ccccc1 2230a_100000750932_100000210202 [0,1,0,0,0,1|1,0,0]=3 9535 B14R1.123 CCNCCCCCc1ccccc1 2230a_100015525214_200011217138 [0,1,0,0,0,1|1,0,0]=3 9536 B14R1.123 CCNCCCCCc1ccccc1 34a_100000750932_100000210202 [0,1,0,0,0,1|1,0,0]=3 9537 B14R1.123 CCNCCCCOc1ccccc1 2230a_100015525214_100011215240 [0,1,0,0,0,1|2,0,0]=4 9538 B14R1.123 CCNCCCOCc1ccccc1 2230a_100015525214_100011215529 [0,1,0,0,0,1|2,0,0]=4 9539 B14R1.123 CCNCCCOCc1ccccc1 2230a_200000206031_100000210202 [0,1,0,0,0,1|2,0,0]=4 9540 B14R1.123 CCNCCCOCc1ccccc1 34a_200000206031_100000210202 [0,1,0,0,0,1|2,0,0]=4 9541 B14R1.123 CCOCCCCCc1ccccc1 34a_100121572206_200011217138 [0,1,0,0,0,1|1,0,0]=3 9542 B14R1.123 CCOCCCCCc1ccccc1 34a_200011219639_100000210202 [0,1,0,0,0,1|1,0,0]=3 9543 B14R1.123 CCOCCCCCc1ccccc1 7a_200011219639_100000210202 [0,1,0,0,0,1|1,0,0]=3 9544 B14R1.123 CCOCCCCOc1ccccc1 34a_100000752354_100000210202 [0,1,0,0,0,1|2,0,0]=4 9545 B14R1.123 CCOCCCCOc1ccccc1 34a_100121572206_100011215240 [0,1,0,0,0,1|2,0,0]=4 9546 B14R1.123 CCOCCCCOc1ccccc1 7a_100000752354_100000210202 [0,1,0,0,0,1|2,0,0]=4 9547 B14R1.123 CCOCCCNCc1ccccc1 207a_100000210961_100015611070 [0,1,0,0,0,1|2,0,0]=4 9548 B14R1.123 CCOCCCNCc1ccccc1 2230a_100000210961_100015291786 [0,1,0,0,0,1|2,0,0]=4 9549 B14R1.123 CCOCCCNCc1ccccc1 2230a_100015324214_100012232248 [0,1,0,0,0,1|2,0,0]=4 9550 B14R1.123 CCOCCCNCc1ccccc1 270004a_100000210961_100015611070 [0,1,0,0,0,1|2,0,0]=4 9551 B14R1.123 CCOCCCNCc1ccccc1 34a_100000185501_100000210202 [0,1,0,0,0,1|2,0,0]=4 9552 B14R1.123 CCOCCCNCc1ccccc1 34a_100000210961_100015291786 [0,1,0,0,0,1|2,0,0]=4 9553 B14R1.123 CCOCCCNCc1ccccc1 34a_100015324214_100012232248 [0,1,0,0,0,1|2,0,0]=4 9554 B14R1.123 CCOCCCNCc1ccccn1 207a_100000210961_100000209966 [0,1,0,0,0,1|2,0,0]=4 9555 B14R1.123 CCOCCCNCc1ccccn1 2230a_100000210961_100000721315 [0,1,0,0,0,1|2,0,0]=4 9556 B14R1.123 CCOCCCNCc1ccccn1 270004a_100000210961_100000209966 [0,1,0,0,0,1|2,0,0]=4 9557 B14R1.123 CCOCCCNCc1ccccn1 34a_100000210961_100000721315 [0,1,0,0,0,1|2,0,0]=4 9558 B14R1.123 CCOCCCNCc1cccnc1 207a_100000210961_100000209961 [0,1,0,0,0,1|2,0,0]=4 9559 B14R1.123 CCOCCCNCc1cccnc1 2230a_100000210961_100000741622 [0,1,0,0,0,1|2,0,0]=4 9560 B14R1.123 CCOCCCNCc1cccnc1 270004a_100000210961_100000209961 [0,1,0,0,0,1|2,0,0]=4 9561 B14R1.123 CCOCCCNCc1cccnc1 34a_100000210961_100000733263 [0,1,0,0,0,1|2,0,0]=4 9562 B14R1.123 CCOCCCNCc1cccnn1 2230a_100000210961_100016990269 [0,1,0,0,0,1|2,0,0]=4 9563 B14R1.123 CCOCCCNCc1cccnn1 2230a_100159270163_100012232248 [0,1,0,0,0,1|2,0,0]=4 9564 B14R1.123 CCOCCCNCc1cccnn1 34a_100000210961_100016990269 [0,1,0,0,0,1|2,0,0]=4 9565 B14R1.123 CCOCCCNCc1ccncc1 207a_100000210961_100000186114 [0,1,0,0,0,1|2,0,0]=4 9566 B14R1.123 CCOCCCNCc1ccncc1 2230a_100000210961_100015193705 [0,1,0,0,0,1|2,0,0]=4 9567 B14R1.123 CCOCCCNCc1cnccn1 2230a_100000210961_100016995436 [0,1,0,0,0,1|2,0,0]=4 9568 B14R1.123 CCOCCCNCc1cnccn1 270004a_100000210961_100000749867 [0,1,0,0,0,1|2,0,0]=4 9569 B14R1.123 CCOCCCNCc1cnccn1 34a_100000210961_100016995436 [0,1,0,0,0,1|2,0,0]=4 9570 B14R1.123 CCOCCCNCc1ncccn1 2230a_100000210961_100000703007 [0,1,0,0,0,1|2,0,0]=4 9571 B14R1.123 CCOCCCNCc1ncccn1 270004a_100000210961_100011532527 [0,1,0,0,0,1|2,0,0]=4 9572 B14R1.123 CCOCCCNCc1ncccn1 34a_100000210961_100000703007 [0,1,0,0,0,1|2,0,0]=4 9573 B14R1.123 CCOCCCOCc1ccccc1 34a_100000210790_100012232248 [0,1,0,0,0,1|2,0,0]=4 9574 B14R1.123 CCOCCCOCc1ccccc1 34a_100000691849_100000210202 [0,1,0,0,0,1|2,0,0]=4 9575 B14R1.123 CCOCCCOCc1ccccc1 34a_100000757476_100015291786 [0,1,0,0,0,1|2,0,0]=4 9576 B14R1.123 CCOCCCOCc1ccccc1 34a_100121572206_100011215529 [0,1,0,0,0,1|2,0,0]=4 9577 B14R1.123 CCOCCCOCc1ccccc1 7a_100000210790_100012232248 [0,1,0,0,0,1|2,0,0]=4 9578 B14R1.123 CCOCCCOCc1ccccc1 7a_100000691849_100000210202 [0,1,0,0,0,1|2,0,0]=4 9579 B14R1.123 CCOCCCOCc1ccccc1 7a_100000757476_100000211182 [0,1,0,0,0,1|2,0,0]=4 9580 B14R1.123 CCOCCCOCc1ccccn1 34a_100000757476_100000721315 [0,1,0,0,0,1|2,0,0]=4 9581 B14R1.123 CCOCCCOCc1ccccn1 7a_100000757476_100000721315 [0,1,0,0,0,1|2,0,0]=4 9582 B14R1.123 CCOCCCOCc1cccnc1 34a_100000757476_100000733263 [0,1,0,0,0,1|2,0,0]=4 9583 B14R1.123 CCOCCCOCc1cccnc1 7a_100000757476_100000741622 [0,1,0,0,0,1|2,0,0]=4 9584 B14R1.123 CCOCCCOCc1cccnn1 34a_100000757476_100016990269 [0,1,0,0,0,1|2,0,0]=4 9585 B14R1.123 CCOCCCOCc1cccnn1 7a_100000757476_100016990269 [0,1,0,0,0,1|2,0,0]=4 9586 B14R1.123 CCOCCCOCc1ccncc1 7a_100000757476_100015193705 [0,1,0,0,0,1|2,0,0]=4 9587 B14R1.123 CCOCCCOCc1cnccn1 34a_100000757476_100016995436 [0,1,0,0,0,1|2,0,0]=4 9588 B14R1.123 CCOCCCOCc1cnccn1 7a_100000757476_100016995436 [0,1,0,0,0,1|2,0,0]=4 9589 B14R1.123 CCOCCCOCc1ncccn1 34a_100000757476_100000703007 [0,1,0,0,0,1|2,0,0]=4 9590 B14R1.123 CCOCCCOCc1ncccn1 7a_100000757476_100000703007 [0,1,0,0,0,1|2,0,0]=4 9591 B14R1.123 CCOCCCSCc1ccccc1 62a_100000211182_100012232248 [0,1,0,0,0,1|2,0,0]=4 9592 B14R1.123 CCOCCCSCc1ccccc1 62a_100012232248_100015291786 [0,1,0,0,0,1|2,0,0]=4 9593 B14R1.123 CCOCCCSCc1ccccn1 62a_100000721315_100012232248 [0,1,0,0,0,1|2,0,0]=4 9594 B14R1.123 CCOCCCSCc1ccccn1 62a_100012232248_100000721315 [0,1,0,0,0,1|2,0,0]=4 9595 B14R1.123 CCOCCCSCc1cccnc1 62a_100000741622_100012232248 [0,1,0,0,0,1|2,0,0]=4 9596 B14R1.123 CCOCCCSCc1cccnc1 62a_100012232248_100000741622 [0,1,0,0,0,1|2,0,0]=4 9597 B14R1.123 CCOCCCSCc1cccnn1 62a_100012232248_100016990269 [0,1,0,0,0,1|2,0,0]=4 9598 B14R1.123 CCOCCCSCc1cccnn1 62a_100016990269_100012232248 [0,1,0,0,0,1|2,0,0]=4 9599 B14R1.123 CCOCCCSCc1ccncc1 62a_100012232248_100015193705 [0,1,0,0,0,1|2,0,0]=4 9600 B14R1.123 CCOCCCSCc1ccncc1 62a_100015193705_100012232248 [0,1,0,0,0,1|2,0,0]=4 9601 B14R1.123 CCOCCCSCc1cnccn1 62a_100012232248_100016995436 [0,1,0,0,0,1|2,0,0]=4 9602 B14R1.123 CCOCCCSCc1cnccn1 62a_100016995436_100012232248 [0,1,0,0,0,1|2,0,0]=4 9603 B14R1.123 CCOCCCSCc1ncccn1 62a_100000703007_100012232248 [0,1,0,0,0,1|2,0,0]=4 9604 B14R1.123 CCOCCCSCc1ncccn1 62a_100012232248_100000703007 [0,1,0,0,0,1|2,0,0]=4 9605 B14R1.123 CCOCCNCCc1ccccc1 2230a_100000106460_100011215890 [0,1,0,0,0,1|2,0,0]=4 9606 B14R1.123 CCOCCNCCc1ccccc1 2230a_102516460346_100000765856 [0,1,0,0,0,1|2,0,0]=4 9607 B14R1.123 CCOCCNCCc1ccccc1 34a_100000106460_100000210147 [0,1,0,0,0,1|2,0,0]=4 9608 B14R1.123 CCOCCNCCc1ccccc1 34a_102516460346_100000765856 [0,1,0,0,0,1|2,0,0]=4 9609 B14R1.123 CCOCCNCCc1ccccn1 2230a_102516460346_100015183660 [0,1,0,0,0,1|2,0,0]=4 9610 B14R1.123 CCOCCNCCc1cccnc1 2230a_100000736294_100011215890 [0,1,0,0,0,1|2,0,0]=4 9611 B14R1.123 CCOCCNCCc1cccnc1 2230a_102516460346_200011713674 [0,1,0,0,0,1|2,0,0]=4 9612 B14R1.123 CCOCCNCCc1ccncc1 2230a_102516460346_100000723409 [0,1,0,0,0,1|2,0,0]=4 9613 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210136_100000765856 [0,1,0,0,0,1|2,0,0]=4 9614 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210268_100000210147 [0,1,0,0,0,1|2,0,0]=4 9615 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210136_100000765856 [0,1,0,0,0,1|2,0,0]=4 9616 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210268_100011215890 [0,1,0,0,0,1|2,0,0]=4 9617 B14R1.123 CCOCCOCCc1ccccn1 34a_100000210271_100000210147 [0,1,0,0,0,1|2,0,0]=4 9618 B14R1.123 CCOCCOCCc1ccccn1 7a_100000210136_100015183660 [0,1,0,0,0,1|2,0,0]=4 9619 B14R1.123 CCOCCOCCc1cccnc1 34a_100011217484_100000210147 [0,1,0,0,0,1|2,0,0]=4 9620 B14R1.123 CCOCCOCCc1cccnc1 7a_100000210136_200011713674 [0,1,0,0,0,1|2,0,0]=4 9621 B14R1.123 CCOCCOCCc1ccncc1 34a_100011216225_100000210147 [0,1,0,0,0,1|2,0,0]=4 9622 B14R1.123 CCOCCOCCc1ccncc1 7a_100000210136_100000723409 [0,1,0,0,0,1|2,0,0]=4 9623 B14R1.123 CCOCCOCCc1cnccn1 34a_100011349526_100000210147 [0,1,0,0,0,1|2,0,0]=4 9624 B14R1.123 CCOCCSCCc1ccccc1 62a_100000210147_100011218657 [0,1,0,0,0,1|2,0,0]=4 9625 B14R1.123 CCOCCSCCc1ccccc1 62a_100000765856_100011215890 [0,1,0,0,0,1|2,0,0]=4 9626 B14R1.123 CCOCCSCCc1ccccn1 34a_100011362645_100000210202 [0,1,0,0,0,1|2,0,0]=4 9627 B14R1.123 CCOCCSCCc1ccccn1 62a_100000210147_100015183660 [0,1,0,0,0,1|2,0,0]=4 9628 B14R1.123 CCOCCSCCc1ccccn1 62a_100015183660_100011215890 [0,1,0,0,0,1|2,0,0]=4 9629 B14R1.123 CCOCCSCCc1ccccn1 7a_100011362645_100000210202 [0,1,0,0,0,1|2,0,0]=4 9630 B14R1.123 CCOCCSCCc1cccnc1 62a_100000210147_200011713674 [0,1,0,0,0,1|2,0,0]=4 9631 B14R1.123 CCOCCSCCc1cccnc1 62a_200011713674_100011215890 [0,1,0,0,0,1|2,0,0]=4 9632 B14R1.123 CCOCCSCCc1ccncc1 34a_200011193335_100000210202 [0,1,0,0,0,1|2,0,0]=4 9633 B14R1.123 CCOCCSCCc1ccncc1 62a_100000210147_100000723409 [0,1,0,0,0,1|2,0,0]=4 9634 B14R1.123 CCOCCSCCc1ccncc1 62a_100000723409_100011215890 [0,1,0,0,0,1|2,0,0]=4 9635 B14R1.123 CCOCCSCCc1ccncc1 7a_200011193335_100000210202 [0,1,0,0,0,1|2,0,0]=4 9636 B14R1.123 CCOCSCCCc1ccccc1 62a_100000211621_100000739092 [0,1,0,0,0,1|2,0,0]=4 9637 B14R1.123 CCOCSCCCc1ccccc1 62a_100000739092_100000211621 [0,1,0,0,0,1|2,0,0]=4 9638 B14R1.123 CCSCCCCCc1ccccc1 62a_100000210202_200011217138 [0,1,0,0,0,1|1,0,0]=3 9639 B14R1.123 CCSCCCCCc1ccccc1 62a_200011217138_100000210202 [0,1,0,0,0,1|1,0,0]=3 9640 B14R1.123 CCSCCCCOc1ccccc1 62a_100000210202_100011215240 [0,1,0,0,0,1|2,0,0]=4 9641 B14R1.123 CCSCCCCOc1ccccc1 62a_100011215240_100000210202 [0,1,0,0,0,1|2,0,0]=4 9642 B14R1.123 CCSCCCOCc1ccccc1 34a_100011216438_100015291786 [0,1,0,0,0,1|2,0,0]=4 9643 B14R1.123 CCSCCCOCc1ccccc1 62a_100000210202_100011215529 [0,1,0,0,0,1|2,0,0]=4 9644 B14R1.123 CCSCCCOCc1ccccc1 62a_100011215529_100000210202 [0,1,0,0,0,1|2,0,0]=4 9645 B14R1.123 CCSCCCOCc1ccccc1 7a_100011216438_100000211182 [0,1,0,0,0,1|2,0,0]=4 9646 B14R1.123 CCSCCCOCc1ccccn1 34a_100011216438_100000721315 [0,1,0,0,0,1|2,0,0]=4 9647 B14R1.123 CCSCCCOCc1ccccn1 7a_100011216438_100000721315 [0,1,0,0,0,1|2,0,0]=4 9648 B14R1.123 CCSCCCOCc1cccnc1 34a_100011216438_100000733263 [0,1,0,0,0,1|2,0,0]=4 9649 B14R1.123 CCSCCCOCc1cccnc1 7a_100011216438_100000741622 [0,1,0,0,0,1|2,0,0]=4 9650 B14R1.123 CCSCCCOCc1cccnn1 34a_100011216438_100016990269 [0,1,0,0,0,1|2,0,0]=4 9651 B14R1.123 CCSCCCOCc1cccnn1 7a_100011216438_100016990269 [0,1,0,0,0,1|2,0,0]=4 9652 B14R1.123 CCSCCCOCc1ccncc1 7a_100011216438_100015193705 [0,1,0,0,0,1|2,0,0]=4 9653 B14R1.123 CCSCCCOCc1cnccn1 34a_100011216438_100016995436 [0,1,0,0,0,1|2,0,0]=4 9654 B14R1.123 CCSCCCOCc1cnccn1 7a_100011216438_100016995436 [0,1,0,0,0,1|2,0,0]=4 9655 B14R1.123 CCSCCCOCc1ncccn1 34a_100011216438_100000703007 [0,1,0,0,0,1|2,0,0]=4 9656 B14R1.123 CCSCCCOCc1ncccn1 7a_100011216438_100000703007 [0,1,0,0,0,1|2,0,0]=4 9657 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106460_100000757381 [0,1,0,0,0,1|2,0,0]=4 9658 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106463_100000765856 [0,1,0,0,0,1|2,0,0]=4 9659 B14R1.123 CCSCCNCCc1ccccc1 34a_100000106460_100000757381 [0,1,0,0,0,1|2,0,0]=4 9660 B14R1.123 CCSCCNCCc1ccccn1 2230a_100000106463_100015183660 [0,1,0,0,0,1|2,0,0]=4 9661 B14R1.123 CCSCCNCCc1cccnc1 2230a_100000106463_200011713674 [0,1,0,0,0,1|2,0,0]=4 9662 B14R1.123 CCSCCNCCc1cccnc1 2230a_100000736294_100000757381 [0,1,0,0,0,1|2,0,0]=4 9663 B14R1.123 CCSCCNCCc1ccncc1 2230a_100000106463_100000723409 [0,1,0,0,0,1|2,0,0]=4 9664 B14R1.123 CCSCCOCCc1ccccc1 34a_100000210268_100000757381 [0,1,0,0,0,1|2,0,0]=4 9665 B14R1.123 CCSCCOCCc1ccccc1 34a_100000212035_100000765856 [0,1,0,0,0,1|2,0,0]=4 9666 B14R1.123 CCSCCOCCc1ccccc1 7a_100000210268_100000757381 [0,1,0,0,0,1|2,0,0]=4 9667 B14R1.123 CCSCCOCCc1ccccc1 7a_100000212035_100000765856 [0,1,0,0,0,1|2,0,0]=4 9668 B14R1.123 CCSCCOCCc1ccccn1 34a_100000210271_100000757381 [0,1,0,0,0,1|2,0,0]=4 9669 B14R1.123 CCSCCOCCc1ccccn1 7a_100000212035_100015183660 [0,1,0,0,0,1|2,0,0]=4 9670 B14R1.123 CCSCCOCCc1cccnc1 34a_100011217484_100000757381 [0,1,0,0,0,1|2,0,0]=4 9671 B14R1.123 CCSCCOCCc1cccnc1 7a_100000212035_200011713674 [0,1,0,0,0,1|2,0,0]=4 9672 B14R1.123 CCSCCOCCc1ccncc1 34a_100011216225_100000757381 [0,1,0,0,0,1|2,0,0]=4 9673 B14R1.123 CCSCCOCCc1ccncc1 7a_100000212035_100000723409 [0,1,0,0,0,1|2,0,0]=4 9674 B14R1.123 CCSCCOCCc1cnccn1 34a_100011349526_100000757381 [0,1,0,0,0,1|2,0,0]=4 9675 B14R1.123 CCSCCSCCc1ccccc1 62a_100000757381_100011218657 [0,1,0,0,0,1|2,0,0]=4 9676 B14R1.123 CCSCCSCCc1ccccc1 62a_100000765856_100000757381 [0,1,0,0,0,1|2,0,0]=4 9677 B14R1.123 CCSCCSCCc1ccccn1 62a_100000757381_100015183660 [0,1,0,0,0,1|2,0,0]=4 9678 B14R1.123 CCSCCSCCc1ccccn1 62a_100015183660_100000757381 [0,1,0,0,0,1|2,0,0]=4 9679 B14R1.123 CCSCCSCCc1cccnc1 62a_100000757381_200011713674 [0,1,0,0,0,1|2,0,0]=4 9680 B14R1.123 CCSCCSCCc1cccnc1 62a_200011713674_100000757381 [0,1,0,0,0,1|2,0,0]=4 9681 B14R1.123 CCSCCSCCc1ccncc1 62a_100000723409_100000757381 [0,1,0,0,0,1|2,0,0]=4 9682 B14R1.123 CCSCCSCCc1ccncc1 62a_100000757381_100000723409 [0,1,0,0,0,1|2,0,0]=4 9683 B14R1.123 CNCCCCCCc1ccccc1 2230a_106832991635_100011218729 [0,1,0,0,0,1|1,0,0]=3 9684 B14R1.123 CNCCCCCCc1ccccc1 34a_100102657272_100011218729 [0,1,0,0,0,1|1,0,0]=3 9685 B14R1.123 CNCCCCCCc1ccccc1 7a_106832991635_100011218729 [0,1,0,0,0,1|1,0,0]=3 9686 B14R1.123 CNCCCCCOc1ccccc1 2230a_106832991635_200011777167 [0,1,0,0,0,1|2,0,0]=4 9687 B14R1.123 CNCCCCCOc1ccccc1 34a_100102657272_200011777167 [0,1,0,0,0,1|2,0,0]=4 9688 B14R1.123 CNCCCCCOc1ccccc1 7a_106832991635_200011777167 [0,1,0,0,0,1|2,0,0]=4 9689 B14R1.123 CNCCCCOCc1ccccc1 2230a_100000748060_200000210301 [0,1,0,0,0,1|2,0,0]=4 9690 B14R1.123 CNCCCCOCc1ccccc1 2230a_106832991635_100011219843 [0,1,0,0,0,1|2,0,0]=4 9691 B14R1.123 CNCCCCOCc1ccccc1 34a_100000748060_200000210301 [0,1,0,0,0,1|2,0,0]=4 9692 B14R1.123 CNCCCCOCc1ccccc1 34a_100102657272_100011219843 [0,1,0,0,0,1|2,0,0]=4 9693 B14R1.123 CNCCCCOCc1ccccc1 7a_106832991635_100011219843 [0,1,0,0,0,1|2,0,0]=4 9694 B14R1.123 CNCCCOCCc1ccccc1 34a_100000213112_100000765856 [0,1,0,0,0,1|2,0,0]=4 9695 B14R1.123 COCCCCCCc1ccccc1 34a_100011215581_200000210301 [0,1,0,0,0,1|1,0,0]=3 9696 B14R1.123 COCCCCCCc1ccccc1 34a_100138415774_100011218729 [0,1,0,0,0,1|1,0,0]=3 9697 B14R1.123 COCCCCCCc1ccccc1 7a_100011215581_200000210301 [0,1,0,0,0,1|1,0,0]=3 9698 B14R1.123 COCCCCCNc1cccnn1 27a_100000747528_100016991348 [0,1,0,0,0,1|2,0,0]=4 9699 B14R1.123 COCCCCCNc1ccncn1 27a_100000747528_100000703185 [0,1,0,0,0,1|2,0,0]=4 9700 B14R1.123 COCCCCCNc1cnccn1 27a_100000747528_100000211759 [0,1,0,0,0,1|2,0,0]=4 9701 B14R1.123 COCCCCCNc1ncccn1 27a_100000747528_100000211032 [0,1,0,0,0,1|2,0,0]=4 9702 B14R1.123 COCCCCCOc1ccccc1 34a_100138415774_200011777167 [0,1,0,0,0,1|2,0,0]=4 9703 B14R1.123 COCCCCNCc1ccccc1 2230a_100015324214_100000730899 [0,1,0,0,0,1|2,0,0]=4 9704 B14R1.123 COCCCCNCc1ccccc1 34a_100000186360_200000210301 [0,1,0,0,0,1|2,0,0]=4 9705 B14R1.123 COCCCCNCc1ccccc1 34a_100015324214_100000755781 [0,1,0,0,0,1|2,0,0]=4 9706 B14R1.123 COCCCCNCc1cccnn1 2230a_100159270163_100000730899 [0,1,0,0,0,1|2,0,0]=4 9707 B14R1.123 COCCCCOCc1ccccc1 34a_100000210790_100000755781 [0,1,0,0,0,1|2,0,0]=4 9708 B14R1.123 COCCCCOCc1ccccc1 34a_100000740925_100015291786 [0,1,0,0,0,1|2,0,0]=4 9709 B14R1.123 COCCCCOCc1ccccc1 34a_100011215074_200000210301 [0,1,0,0,0,1|2,0,0]=4 9710 B14R1.123 COCCCCOCc1ccccc1 34a_100138415774_100011219843 [0,1,0,0,0,1|2,0,0]=4 9711 B14R1.123 COCCCCOCc1ccccc1 7a_100000210790_100000730899 [0,1,0,0,0,1|2,0,0]=4 9712 B14R1.123 COCCCCOCc1ccccc1 7a_100011215074_200000210301 [0,1,0,0,0,1|2,0,0]=4 9713 B14R1.123 COCCCCOCc1ccccn1 34a_100000740925_100000721315 [0,1,0,0,0,1|2,0,0]=4 9714 B14R1.123 COCCCCOCc1cccnc1 34a_100000740925_100000733263 [0,1,0,0,0,1|2,0,0]=4 9715 B14R1.123 COCCCCOCc1cccnn1 34a_100000740925_100016990269 [0,1,0,0,0,1|2,0,0]=4 9716 B14R1.123 COCCCCOCc1cnccn1 34a_100000740925_100016995436 [0,1,0,0,0,1|2,0,0]=4 9717 B14R1.123 COCCCCOCc1ncccn1 34a_100000740925_100000703007 [0,1,0,0,0,1|2,0,0]=4 9718 B14R1.123 COCCCCSCc1ccccc1 62a_100000211182_100000730899 [0,1,0,0,0,1|2,0,0]=4 9719 B14R1.123 COCCCCSCc1ccccc1 62a_100000730899_100015291786 [0,1,0,0,0,1|2,0,0]=4 9720 B14R1.123 COCCCCSCc1ccccn1 62a_100000721315_100000730899 [0,1,0,0,0,1|2,0,0]=4 9721 B14R1.123 COCCCCSCc1ccccn1 62a_100000730899_100000721315 [0,1,0,0,0,1|2,0,0]=4 9722 B14R1.123 COCCCCSCc1cccnc1 62a_100000730899_100000741622 [0,1,0,0,0,1|2,0,0]=4 9723 B14R1.123 COCCCCSCc1cccnc1 62a_100000741622_100000730899 [0,1,0,0,0,1|2,0,0]=4 9724 B14R1.123 COCCCCSCc1cccnn1 62a_100000730899_100016990269 [0,1,0,0,0,1|2,0,0]=4 9725 B14R1.123 COCCCCSCc1cccnn1 62a_100016990269_100000730899 [0,1,0,0,0,1|2,0,0]=4 9726 B14R1.123 COCCCCSCc1ccncc1 62a_100000730899_100015193705 [0,1,0,0,0,1|2,0,0]=4 9727 B14R1.123 COCCCCSCc1ccncc1 62a_100015193705_100000730899 [0,1,0,0,0,1|2,0,0]=4 9728 B14R1.123 COCCCCSCc1cnccn1 62a_100000730899_100016995436 [0,1,0,0,0,1|2,0,0]=4 9729 B14R1.123 COCCCCSCc1cnccn1 62a_100016995436_100000730899 [0,1,0,0,0,1|2,0,0]=4 9730 B14R1.123 COCCCCSCc1ncccn1 62a_100000703007_100000730899 [0,1,0,0,0,1|2,0,0]=4 9731 B14R1.123 COCCCCSCc1ncccn1 62a_100000730899_100000703007 [0,1,0,0,0,1|2,0,0]=4 9732 B14R1.123 COCCCNCCc1ccccc1 2230a_100000106460_100000740836 [0,1,0,0,0,1|2,0,0]=4 9733 B14R1.123 COCCCNCCc1ccccc1 34a_100000106460_100000740836 [0,1,0,0,0,1|2,0,0]=4 9734 B14R1.123 COCCCNCCc1ccccc1 34a_100150723488_100000765856 [0,1,0,0,0,1|2,0,0]=4 9735 B14R1.123 COCCCNCCc1cccnc1 2230a_100000736294_100000740836 [0,1,0,0,0,1|2,0,0]=4 9736 B14R1.123 COCCCOCCc1ccccc1 34a_100000210268_100000740836 [0,1,0,0,0,1|2,0,0]=4 9737 B14R1.123 COCCCOCCc1ccccc1 34a_100000740835_100000765856 [0,1,0,0,0,1|2,0,0]=4 9738 B14R1.123 COCCCOCCc1ccccc1 7a_100000210268_100000740836 [0,1,0,0,0,1|2,0,0]=4 9739 B14R1.123 COCCCOCCc1ccccn1 34a_100000210271_100000740836 [0,1,0,0,0,1|2,0,0]=4 9740 B14R1.123 COCCCOCCc1cccnc1 34a_100011217484_100000740836 [0,1,0,0,0,1|2,0,0]=4 9741 B14R1.123 COCCCOCCc1ccncc1 34a_100011216225_100000740836 [0,1,0,0,0,1|2,0,0]=4 9742 B14R1.123 COCCCOCCc1cnccn1 34a_100011349526_100000740836 [0,1,0,0,0,1|2,0,0]=4 9743 B14R1.123 COCCCSCCc1ccccc1 62a_100000709357_100011218657 [0,1,0,0,0,1|2,0,0]=4 9744 B14R1.123 COCCCSCCc1ccccc1 62a_100000765856_100000709357 [0,1,0,0,0,1|2,0,0]=4 9745 B14R1.123 COCCCSCCc1ccccn1 62a_100000709357_100015183660 [0,1,0,0,0,1|2,0,0]=4 9746 B14R1.123 COCCCSCCc1ccccn1 62a_100015183660_100000709357 [0,1,0,0,0,1|2,0,0]=4 9747 B14R1.123 COCCCSCCc1cccnc1 62a_100000709357_200011713674 [0,1,0,0,0,1|2,0,0]=4 9748 B14R1.123 COCCCSCCc1cccnc1 62a_200011713674_100000709357 [0,1,0,0,0,1|2,0,0]=4 9749 B14R1.123 COCCCSCCc1ccncc1 62a_100000709357_100000723409 [0,1,0,0,0,1|2,0,0]=4 9750 B14R1.123 COCCCSCCc1ccncc1 62a_100000723409_100000709357 [0,1,0,0,0,1|2,0,0]=4 9751 B14R1.123 COCCNCCCc1ccccc1 2230a_100000209980_100000211621 [0,1,0,0,0,1|2,0,0]=4 9752 B14R1.123 COCCNCCCc1ccccc1 2230a_100000211184_100011201679 [0,1,0,0,0,1|2,0,0]=4 9753 B14R1.123 COCCNCCCc1ccccc1 34a_100000211184_100011201679 [0,1,0,0,0,1|2,0,0]=4 9754 B14R1.123 COCCNCCCc1cccnc1 2230a_100011532358_100011201679 [0,1,0,0,0,1|2,0,0]=4 9755 B14R1.123 COCCNCCCc1cccnc1 34a_100011532358_100011201679 [0,1,0,0,0,1|2,0,0]=4 9756 B14R1.123 COCCNCCCc1ccncc1 2230a_100011275580_100011201679 [0,1,0,0,0,1|2,0,0]=4 9757 B14R1.123 COCCOCCCC1=CCC=CC1 34a_100020667889_100011201679 [0,1,0,0,0,1|2,0,0]=4 9758 B14R1.123 COCCOCCCc1ccccc1 34a_100000210237_100000211621 [0,1,0,0,0,1|2,0,0]=4 9759 B14R1.123 COCCOCCCc1ccccc1 34a_100000210828_100011201679 [0,1,0,0,0,1|2,0,0]=4 9760 B14R1.123 COCCOCCCc1ccccc1 7a_100000210828_100000233755 [0,1,0,0,0,1|2,0,0]=4 9761 B14R1.123 COCCOCCCc1ccccn1 34a_100011215068_100011201679 [0,1,0,0,0,1|2,0,0]=4 9762 B14R1.123 COCCOCCCc1cccnc1 34a_100000211284_100011201679 [0,1,0,0,0,1|2,0,0]=4 9763 B14R1.123 COCCOCCCc1ccncc1 34a_100000210659_100011201679 [0,1,0,0,0,1|2,0,0]=4 9764 B14R1.123 COCCSCCCc1ccccc1 62a_100000211621_100000233755 [0,1,0,0,0,1|2,0,0]=4 9765 B14R1.123 COCCSCCCc1ccccc1 62a_100000233755_100000211621 [0,1,0,0,0,1|2,0,0]=4 9766 B14R1.123 COCNCCCCc1ccccc1 2230a_100015280158_100000766300 [0,1,0,0,0,1|2,0,0]=4 9767 B14R1.123 COCSCCCCc1ccccc1 62a_100000701786_100000766300 [0,1,0,0,0,1|2,0,0]=4 9768 B14R1.123 COCSCCCCc1ccccc1 62a_100000766300_100000701786 [0,1,0,0,0,1|2,0,0]=4 9769 B14R1.123 COCSCCCCc1ccncc1 62a_100000766300_100020630000 [0,1,0,0,0,1|2,0,0]=4 9770 B14R1.123 COCSCCCCc1ccncc1 62a_100020630000_100000766300 [0,1,0,0,0,1|2,0,0]=4 9771 B14R1.123 CSCCCCCCc1ccccc1 62a_100011218729_200000210301 [0,1,0,0,0,1|1,0,0]=3 9772 B14R1.123 CSCCCCCCc1ccccc1 62a_200000210301_100011218729 [0,1,0,0,0,1|1,0,0]=3 9773 B14R1.123 CSCCCCCOc1ccccc1 62a_200000210301_200011777167 [0,1,0,0,0,1|2,0,0]=4 9774 B14R1.123 CSCCCCCOc1ccccc1 62a_200011777167_200000210301 [0,1,0,0,0,1|2,0,0]=4 9775 B14R1.123 CSCCCCOCc1ccccc1 34a_100011217163_100015291786 [0,1,0,0,0,1|2,0,0]=4 9776 B14R1.123 CSCCCCOCc1ccccc1 62a_100011219843_200000210301 [0,1,0,0,0,1|2,0,0]=4 9777 B14R1.123 CSCCCCOCc1ccccc1 62a_200000210301_100011219843 [0,1,0,0,0,1|2,0,0]=4 9778 B14R1.123 CSCCCCOCc1ccccc1 7a_100011217163_100000211182 [0,1,0,0,0,1|2,0,0]=4 9779 B14R1.123 CSCCCCOCc1ccccn1 34a_100011217163_100000721315 [0,1,0,0,0,1|2,0,0]=4 9780 B14R1.123 CSCCCCOCc1ccccn1 7a_100011217163_100000721315 [0,1,0,0,0,1|2,0,0]=4 9781 B14R1.123 CSCCCCOCc1cccnc1 34a_100011217163_100000733263 [0,1,0,0,0,1|2,0,0]=4 9782 B14R1.123 CSCCCCOCc1cccnc1 7a_100011217163_100000741622 [0,1,0,0,0,1|2,0,0]=4 9783 B14R1.123 CSCCCCOCc1cccnn1 34a_100011217163_100016990269 [0,1,0,0,0,1|2,0,0]=4 9784 B14R1.123 CSCCCCOCc1cccnn1 7a_100011217163_100016990269 [0,1,0,0,0,1|2,0,0]=4 9785 B14R1.123 CSCCCCOCc1ccncc1 7a_100011217163_100015193705 [0,1,0,0,0,1|2,0,0]=4 9786 B14R1.123 CSCCCCOCc1cnccn1 34a_100011217163_100016995436 [0,1,0,0,0,1|2,0,0]=4 9787 B14R1.123 CSCCCCOCc1cnccn1 7a_100011217163_100016995436 [0,1,0,0,0,1|2,0,0]=4 9788 B14R1.123 CSCCCCOCc1ncccn1 34a_100011217163_100000703007 [0,1,0,0,0,1|2,0,0]=4 9789 B14R1.123 CSCCCCOCc1ncccn1 7a_100011217163_100000703007 [0,1,0,0,0,1|2,0,0]=4 9790 B14R1.123 CSCCCNCCc1ccccc1 2230a_100000749238_100000765856 [0,1,0,0,0,1|2,0,0]=4 9791 B14R1.123 CSCCCNCCc1ccccn1 2230a_100000749238_100015183660 [0,1,0,0,0,1|2,0,0]=4 9792 B14R1.123 CSCCCNCCc1cccnc1 2230a_100000749238_200011713674 [0,1,0,0,0,1|2,0,0]=4 9793 B14R1.123 CSCCCNCCc1ccncc1 2230a_100000749238_100000723409 [0,1,0,0,0,1|2,0,0]=4 9794 B14R1.123 CSCCCOCCc1ccccc1 34a_100000690336_100000765856 [0,1,0,0,0,1|2,0,0]=4 9795 B14R1.123 CSCCCOCCc1ccccc1 7a_100000690336_100000765856 [0,1,0,0,0,1|2,0,0]=4 9796 B14R1.123 CSCCCOCCc1ccccn1 7a_100000690336_100015183660 [0,1,0,0,0,1|2,0,0]=4 9797 B14R1.123 CSCCCOCCc1cccnc1 7a_100000690336_200011713674 [0,1,0,0,0,1|2,0,0]=4 9798 B14R1.123 CSCCCOCCc1ccncc1 7a_100000690336_100000723409 [0,1,0,0,0,1|2,0,0]=4 9799 B14R1.123 CSCCNCCCc1ccccc1 2230a_100000211184_100000751147 [0,1,0,0,0,1|2,0,0]=4 9800 B14R1.123 CSCCNCCCc1ccccc1 2230a_100020590264_100000211621 [0,1,0,0,0,1|2,0,0]=4 9801 B14R1.123 CSCCNCCCc1ccccc1 34a_100000211184_100000212216 [0,1,0,0,0,1|2,0,0]=4 9802 B14R1.123 CSCCNCCCc1cccnc1 2230a_100011532358_100000751147 [0,1,0,0,0,1|2,0,0]=4 9803 B14R1.123 CSCCNCCCc1cccnc1 34a_100011532358_100000212216 [0,1,0,0,0,1|2,0,0]=4 9804 B14R1.123 CSCCNCCCc1ccncc1 2230a_100011275580_100000751147 [0,1,0,0,0,1|2,0,0]=4 9805 B14R1.123 CSCCOCCCC1=CCC=CC1 34a_100020667889_100000212216 [0,1,0,0,0,1|2,0,0]=4 9806 B14R1.123 CSCCOCCCc1ccccc1 34a_100000210828_100000212216 [0,1,0,0,0,1|2,0,0]=4 9807 B14R1.123 CSCCOCCCc1ccccc1 34a_100000230434_100000211621 [0,1,0,0,0,1|2,0,0]=4 9808 B14R1.123 CSCCOCCCc1ccccc1 7a_100000210828_100000212216 [0,1,0,0,0,1|2,0,0]=4 9809 B14R1.123 CSCCOCCCc1ccccc1 7a_100000230434_100000211621 [0,1,0,0,0,1|2,0,0]=4 9810 B14R1.123 CSCCOCCCc1ccccn1 34a_100011215068_100000212216 [0,1,0,0,0,1|2,0,0]=4 9811 B14R1.123 CSCCOCCCc1cccnc1 34a_100000211284_100000212216 [0,1,0,0,0,1|2,0,0]=4 9812 B14R1.123 CSCCOCCCc1ccncc1 34a_100000210659_100000212216 [0,1,0,0,0,1|2,0,0]=4 9813 B14R1.123 CSCCSCCCc1ccccc1 62a_100000211621_100000751147 [0,1,0,0,0,1|2,0,0]=4 9814 B14R1.123 CSCCSCCCc1ccccc1 62a_100000212216_100000211621 [0,1,0,0,0,1|2,0,0]=4 9815 B14R1.123 CSCNCCCCc1ccccc1 2230a_100015280158_100011218213 [0,1,0,0,0,1|2,0,0]=4 9816 B14R1.123 CSCNCCCCc1ccccc1 34a_100015280158_100011218213 [0,1,0,0,0,1|2,0,0]=4 9817 B14R1.123 CSCOCCCCc1ccccc1 34a_100000703073_100011218213 [0,1,0,0,0,1|2,0,0]=4 9818 B14R1.123 CSCOCCCCc1ccccn1 34a_100012186994_100011218213 [0,1,0,0,0,1|2,0,0]=4 9819 B14R1.123 CSCOCCCCc1cccnc1 34a_100012039607_100011218213 [0,1,0,0,0,1|2,0,0]=4 9820 B14R1.123 CSCOCCCCc1ccncc1 34a_100011787716_100011218213 [0,1,0,0,0,1|2,0,0]=4 9821 B14R1.123 CSCSCCCCc1ccccc1 62a_100000701786_100011218213 [0,1,0,0,0,1|2,0,0]=4 9822 B14R1.123 CSCSCCCCc1ccccc1 62a_100011218213_100000701786 [0,1,0,0,0,1|2,0,0]=4 9823 B14R1.123 CSCSCCCCc1ccncc1 62a_100011218213_100020630000 [0,1,0,0,0,1|2,0,0]=4 9824 B14R1.123 CSCSCCCCc1ccncc1 62a_100020630000_100011218213 [0,1,0,0,0,1|2,0,0]=4 9825 B14R1.123 ClCCCCCOCc1ccccc1 34a_100000746330_100015291786 [0,1,0,0,0,1|2,0,0]=4 9826 B14R1.123 ClCCCCCOCc1ccccc1 7a_100000746330_100000211182 [0,1,0,0,0,1|2,0,0]=4 9827 B14R1.123 ClCCCCCOCc1ccccn1 34a_100000746330_100000721315 [0,1,0,0,0,1|2,0,0]=4 9828 B14R1.123 ClCCCCCOCc1ccccn1 7a_100000746330_100000721315 [0,1,0,0,0,1|2,0,0]=4 9829 B14R1.123 ClCCCCCOCc1cccnc1 34a_100000746330_100000733263 [0,1,0,0,0,1|2,0,0]=4 9830 B14R1.123 ClCCCCCOCc1cccnc1 7a_100000746330_100000741622 [0,1,0,0,0,1|2,0,0]=4 9831 B14R1.123 ClCCCCCOCc1cccnn1 34a_100000746330_100016990269 [0,1,0,0,0,1|2,0,0]=4 9832 B14R1.123 ClCCCCCOCc1cccnn1 7a_100000746330_100016990269 [0,1,0,0,0,1|2,0,0]=4 9833 B14R1.123 ClCCCCCOCc1ccncc1 7a_100000746330_100015193705 [0,1,0,0,0,1|2,0,0]=4 9834 B14R1.123 ClCCCCCOCc1cnccn1 34a_100000746330_100016995436 [0,1,0,0,0,1|2,0,0]=4 9835 B14R1.123 ClCCCCCOCc1cnccn1 7a_100000746330_100016995436 [0,1,0,0,0,1|2,0,0]=4 9836 B14R1.123 ClCCCCCOCc1ncccn1 34a_100000746330_100000703007 [0,1,0,0,0,1|2,0,0]=4 9837 B14R1.123 ClCCCCCOCc1ncccn1 7a_100000746330_100000703007 [0,1,0,0,0,1|2,0,0]=4 9838 B14R1.123 ClCCCCOCCc1ccccc1 34a_100000210776_100000765856 [0,1,0,0,0,1|2,0,0]=4 9839 B14R1.123 ClCCCCOCCc1ccccc1 7a_100000210776_100000765856 [0,1,0,0,0,1|2,0,0]=4 9840 B14R1.123 ClCCCCOCCc1ccccn1 7a_100000210776_100015183660 [0,1,0,0,0,1|2,0,0]=4 9841 B14R1.123 ClCCCCOCCc1cccnc1 7a_100000210776_200011713674 [0,1,0,0,0,1|2,0,0]=4 9842 B14R1.123 ClCCCCOCCc1ccncc1 7a_100000210776_100000723409 [0,1,0,0,0,1|2,0,0]=4 9843 B14R1.123 ClCCCOCCCc1ccccc1 34a_100000230001_100000211621 [0,1,0,0,0,1|2,0,0]=4 9844 B14R1.123 FCCCCCCNc1ccccc1 34a_100000106764_100015922095 [0,1,0,0,0,1|2,0,0]=4 9845 B14R1.123 FCCCCCCOc1ccccc1 34a_100000210340_100015922095 [0,1,0,0,0,1|2,0,0]=4 9846 B14R1.123 FCCCCCCOc1ccccc1 7a_100000210340_100015922095 [0,1,0,0,0,1|2,0,0]=4 9847 B14R1.123 FCCCCCCOc1cccnc1 34a_100000210849_100015922095 [0,1,0,0,0,1|2,0,0]=4 9848 B14R1.123 FCCCCCCOc1cccnc1 7a_100000210849_100015922095 [0,1,0,0,0,1|2,0,0]=4 9849 B14R1.123 FCCCCCCOc1ccncc1 34a_100000212176_100015922095 [0,1,0,0,0,1|2,0,0]=4 9850 B14R1.123 FCCCCCCSc1ccccc1 62a_100000719477_100015922095 [0,1,0,0,0,1|2,0,0]=4 9851 B14R1.123 FCCCCCCSc1ccccc1 62a_100015922095_100000041952 [0,1,0,0,0,1|2,0,0]=4 9852 B14R1.123 FCCCCCCSc1ccccn1 62a_100011216584_100015922095 [0,1,0,0,0,1|2,0,0]=4 9853 B14R1.123 FCCCCCCSc1ccccn1 62a_100015922095_100011216584 [0,1,0,0,0,1|2,0,0]=4 9854 B14R1.123 FCCCCCCSc1cccnc1 62a_100000210063_100015922095 [0,1,0,0,0,1|2,0,0]=4 9855 B14R1.123 FCCCCCCSc1cccnc1 62a_100015922095_100000210063 [0,1,0,0,0,1|2,0,0]=4 9856 B14R1.123 FCCCCCCSc1cccnn1 62a_100015922095_100016991348 [0,1,0,0,0,1|2,0,0]=4 9857 B14R1.123 FCCCCCCSc1cccnn1 62a_100016991348_100015922095 [0,1,0,0,0,1|2,0,0]=4 9858 B14R1.123 FCCCCCCSc1ccncc1 62a_100000728582_100015922095 [0,1,0,0,0,1|2,0,0]=4 9859 B14R1.123 FCCCCCCSc1ccncc1 62a_100015922095_100000728582 [0,1,0,0,0,1|2,0,0]=4 9860 B14R1.123 FCCCCCCSc1ccncn1 62a_100000703185_100015922095 [0,1,0,0,0,1|2,0,0]=4 9861 B14R1.123 FCCCCCCSc1ccncn1 62a_100015922095_100000703185 [0,1,0,0,0,1|2,0,0]=4 9862 B14R1.123 FCCCCCCSc1cnccn1 62a_100000211759_100015922095 [0,1,0,0,0,1|2,0,0]=4 9863 B14R1.123 FCCCCCCSc1cnccn1 62a_100015922095_100000211759 [0,1,0,0,0,1|2,0,0]=4 9864 B14R1.123 FCCCCCCSc1ncccn1 62a_100000211032_100015922095 [0,1,0,0,0,1|2,0,0]=4 9865 B14R1.123 FCCCCCCSc1ncccn1 62a_100015922095_100000211032 [0,1,0,0,0,1|2,0,0]=4 9866 B14R1.123 FCCCCCNCc1ccccc1 2230a_100015324214_100000729378 [0,1,0,0,0,1|2,0,0]=4 9867 B14R1.123 FCCCCCNCc1ccccc1 34a_100015324214_100000729378 [0,1,0,0,0,1|2,0,0]=4 9868 B14R1.123 FCCCCCNCc1cccnn1 2230a_100159270163_100000729378 [0,1,0,0,0,1|2,0,0]=4 9869 B14R1.123 FCCCCCOCc1ccccc1 34a_100000210790_100000729378 [0,1,0,0,0,1|2,0,0]=4 9870 B14R1.123 FCCCCCOCc1ccccc1 7a_100000210790_100000729378 [0,1,0,0,0,1|2,0,0]=4 9871 B14R1.123 FCCCCCSCc1ccccc1 62a_100000211182_100000729378 [0,1,0,0,0,1|2,0,0]=4 9872 B14R1.123 FCCCCCSCc1ccccc1 62a_100000729378_100015291786 [0,1,0,0,0,1|2,0,0]=4 9873 B14R1.123 FCCCCCSCc1ccccn1 62a_100000721315_100000729378 [0,1,0,0,0,1|2,0,0]=4 9874 B14R1.123 FCCCCCSCc1ccccn1 62a_100000729378_100000721315 [0,1,0,0,0,1|2,0,0]=4 9875 B14R1.123 FCCCCCSCc1cccnc1 62a_100000729378_100000741622 [0,1,0,0,0,1|2,0,0]=4 9876 B14R1.123 FCCCCCSCc1cccnc1 62a_100000741622_100000729378 [0,1,0,0,0,1|2,0,0]=4 9877 B14R1.123 FCCCCCSCc1cccnn1 62a_100000729378_100016990269 [0,1,0,0,0,1|2,0,0]=4 9878 B14R1.123 FCCCCCSCc1cccnn1 62a_100016990269_100000729378 [0,1,0,0,0,1|2,0,0]=4 9879 B14R1.123 FCCCCCSCc1ccncc1 62a_100000729378_100015193705 [0,1,0,0,0,1|2,0,0]=4 9880 B14R1.123 FCCCCCSCc1ccncc1 62a_100015193705_100000729378 [0,1,0,0,0,1|2,0,0]=4 9881 B14R1.123 FCCCCCSCc1cnccn1 62a_100000729378_100016995436 [0,1,0,0,0,1|2,0,0]=4 9882 B14R1.123 FCCCCCSCc1cnccn1 62a_100016995436_100000729378 [0,1,0,0,0,1|2,0,0]=4 9883 B14R1.123 FCCCCCSCc1ncccn1 62a_100000703007_100000729378 [0,1,0,0,0,1|2,0,0]=4 9884 B14R1.123 FCCCCCSCc1ncccn1 62a_100000729378_100000703007 [0,1,0,0,0,1|2,0,0]=4 9885 B14R1.123 FCCCCNCCc1ccccc1 2230a_100000106460_100000729493 [0,1,0,0,0,1|2,0,0]=4 9886 B14R1.123 FCCCCNCCc1ccccc1 34a_100000106460_100000729493 [0,1,0,0,0,1|2,0,0]=4 9887 B14R1.123 FCCCCNCCc1cccnc1 2230a_100000736294_100000729493 [0,1,0,0,0,1|2,0,0]=4 9888 B14R1.123 FCCCCOCCc1ccccc1 34a_100000210268_100000729493 [0,1,0,0,0,1|2,0,0]=4 9889 B14R1.123 FCCCCOCCc1ccccc1 34a_100011995726_100000765856 [0,1,0,0,0,1|2,0,0]=4 9890 B14R1.123 FCCCCOCCc1ccccc1 7a_100000210268_100000729493 [0,1,0,0,0,1|2,0,0]=4 9891 B14R1.123 FCCCCOCCc1ccccc1 7a_100011995726_100000765856 [0,1,0,0,0,1|2,0,0]=4 9892 B14R1.123 FCCCCOCCc1ccccn1 34a_100000210271_100000729493 [0,1,0,0,0,1|2,0,0]=4 9893 B14R1.123 FCCCCOCCc1ccccn1 7a_100011995726_100015183660 [0,1,0,0,0,1|2,0,0]=4 9894 B14R1.123 FCCCCOCCc1cccnc1 34a_100011217484_100000729493 [0,1,0,0,0,1|2,0,0]=4 9895 B14R1.123 FCCCCOCCc1cccnc1 7a_100011995726_200011713674 [0,1,0,0,0,1|2,0,0]=4 9896 B14R1.123 FCCCCOCCc1ccncc1 34a_100011216225_100000729493 [0,1,0,0,0,1|2,0,0]=4 9897 B14R1.123 FCCCCOCCc1ccncc1 7a_100011995726_100000723409 [0,1,0,0,0,1|2,0,0]=4 9898 B14R1.123 FCCCCOCCc1cnccn1 34a_100011349526_100000729493 [0,1,0,0,0,1|2,0,0]=4 9899 B14R1.123 FCCCCSCCc1ccccc1 62a_100000729493_100011218657 [0,1,0,0,0,1|2,0,0]=4 9900 B14R1.123 FCCCCSCCc1ccccc1 62a_100000765856_100000729493 [0,1,0,0,0,1|2,0,0]=4 9901 B14R1.123 FCCCCSCCc1ccccn1 62a_100000729493_100015183660 [0,1,0,0,0,1|2,0,0]=4 9902 B14R1.123 FCCCCSCCc1ccccn1 62a_100015183660_100000729493 [0,1,0,0,0,1|2,0,0]=4 9903 B14R1.123 FCCCCSCCc1cccnc1 62a_100000729493_200011713674 [0,1,0,0,0,1|2,0,0]=4 9904 B14R1.123 FCCCCSCCc1cccnc1 62a_200011713674_100000729493 [0,1,0,0,0,1|2,0,0]=4 9905 B14R1.123 FCCCCSCCc1ccncc1 62a_100000723409_100000729493 [0,1,0,0,0,1|2,0,0]=4 9906 B14R1.123 FCCCCSCCc1ccncc1 62a_100000729493_100000723409 [0,1,0,0,0,1|2,0,0]=4 9907 B14R1.123 FCCCNCCCc1ccccc1 2230a_100000211184_100011934791 [0,1,0,0,0,1|2,0,0]=4 9908 B14R1.123 FCCCNCCCc1ccccc1 2230a_100015189416_100000211621 [0,1,0,0,0,1|2,0,0]=4 9909 B14R1.123 FCCCNCCCc1ccccc1 34a_100000211184_100011934791 [0,1,0,0,0,1|2,0,0]=4 9910 B14R1.123 FCCCNCCCc1ccccc1 34a_100015189416_100000211621 [0,1,0,0,0,1|2,0,0]=4 9911 B14R1.123 FCCCNCCCc1cccnc1 2230a_100011532358_100011934791 [0,1,0,0,0,1|2,0,0]=4 9912 B14R1.123 FCCCNCCCc1cccnc1 34a_100011532358_100011934791 [0,1,0,0,0,1|2,0,0]=4 9913 B14R1.123 FCCCNCCCc1ccncc1 2230a_100011275580_100011934791 [0,1,0,0,0,1|2,0,0]=4 9914 B14R1.123 FCCCOCCCC1=CCC=CC1 34a_100020667889_100011934791 [0,1,0,0,0,1|2,0,0]=4 9915 B14R1.123 FCCCOCCCc1ccccc1 34a_100000210828_100011934791 [0,1,0,0,0,1|2,0,0]=4 9916 B14R1.123 FCCCOCCCc1ccccc1 34a_100000759539_100000211621 [0,1,0,0,0,1|2,0,0]=4 9917 B14R1.123 FCCCOCCCc1ccccc1 7a_100000210828_100011934791 [0,1,0,0,0,1|2,0,0]=4 9918 B14R1.123 FCCCOCCCc1ccccn1 34a_100011215068_100011934791 [0,1,0,0,0,1|2,0,0]=4 9919 B14R1.123 FCCCOCCCc1cccnc1 34a_100000211284_100011934791 [0,1,0,0,0,1|2,0,0]=4 9920 B14R1.123 FCCCOCCCc1ccncc1 34a_100000210659_100011934791 [0,1,0,0,0,1|2,0,0]=4 9921 B14R1.123 FCCCSCCCc1ccccc1 62a_100000211621_100011934791 [0,1,0,0,0,1|2,0,0]=4 9922 B14R1.123 FCCCSCCCc1ccccc1 62a_100011934791_100000211621 [0,1,0,0,0,1|2,0,0]=4 9923 B14R1.123 FCCNCCCCc1ccccc1 2230a_100015280158_100011217306 [0,1,0,0,0,1|2,0,0]=4 9924 B14R1.123 FCCNCCCCc1ccccc1 34a_100000724931_100000701786 [0,1,0,0,0,1|2,0,0]=4 9925 B14R1.123 FCCNCCCCc1ccccc1 34a_100015280158_100011217306 [0,1,0,0,0,1|2,0,0]=4 9926 B14R1.123 FCCOCCCCc1ccccc1 34a_100000703073_100011217306 [0,1,0,0,0,1|2,0,0]=4 9927 B14R1.123 FCCOCCCCc1ccccc1 7a_100000703073_100011217306 [0,1,0,0,0,1|2,0,0]=4 9928 B14R1.123 FCCOCCCCc1ccccn1 34a_100012186994_100011217306 [0,1,0,0,0,1|2,0,0]=4 9929 B14R1.123 FCCOCCCCc1cccnc1 34a_100012039607_100011217306 [0,1,0,0,0,1|2,0,0]=4 9930 B14R1.123 FCCOCCCCc1cccnc1 7a_100012039607_100011217306 [0,1,0,0,0,1|2,0,0]=4 9931 B14R1.123 FCCOCCCCc1ccncc1 34a_100011787716_100011217306 [0,1,0,0,0,1|2,0,0]=4 9932 B14R1.123 FCCSCCCCc1ccccc1 62a_100000701786_100011217306 [0,1,0,0,0,1|2,0,0]=4 9933 B14R1.123 FCCSCCCCc1ccccc1 62a_100011217306_100000701786 [0,1,0,0,0,1|2,0,0]=4 9934 B14R1.123 FCCSCCCCc1ccncc1 62a_100011217306_100020630000 [0,1,0,0,0,1|2,0,0]=4 9935 B14R1.123 FCCSCCCCc1ccncc1 62a_100020630000_100011217306 [0,1,0,0,0,1|2,0,0]=4 9936 B14R1.123 FCNCCCCCc1ccccc1 34a_100000750932_100015361967 [0,1,0,0,0,1|2,0,0]=4 9937 B14R1.123 FCOCCCCCc1ccccc1 34a_200011219639_100015361967 [0,1,0,0,0,1|2,0,0]=4 9938 B14R1.123 FCOCCCCCc1ccccc1 7a_200011219639_100015361967 [0,1,0,0,0,1|2,0,0]=4 9939 B14R1.123 FCSCCCCCc1ccccc1 62a_100015361967_200011217138 [0,1,0,0,0,1|2,0,0]=4 9940 B14R1.123 FCSCCCCCc1ccccc1 62a_200011217138_100015361967 [0,1,0,0,0,1|2,0,0]=4 9941 B14R1.123 ICCCCCOCc1ccccc1 34a_200012148887_100015291786 [0,1,0,0,0,1|2,0,0]=4 9942 B14R1.123 ICCCCCOCc1ccccc1 7a_200012148887_100000211182 [0,1,0,0,0,1|2,0,0]=4 9943 B14R1.123 ICCCCCOCc1ccccn1 34a_200012148887_100000721315 [0,1,0,0,0,1|2,0,0]=4 9944 B14R1.123 ICCCCCOCc1ccccn1 7a_200012148887_100000721315 [0,1,0,0,0,1|2,0,0]=4 9945 B14R1.123 ICCCCCOCc1cccnc1 34a_200012148887_100000733263 [0,1,0,0,0,1|2,0,0]=4 9946 B14R1.123 ICCCCCOCc1cccnc1 7a_200012148887_100000741622 [0,1,0,0,0,1|2,0,0]=4 9947 B14R1.123 ICCCCCOCc1cccnn1 34a_200012148887_100016990269 [0,1,0,0,0,1|2,0,0]=4 9948 B14R1.123 ICCCCCOCc1cccnn1 7a_200012148887_100016990269 [0,1,0,0,0,1|2,0,0]=4 9949 B14R1.123 ICCCCCOCc1ccncc1 7a_200012148887_100015193705 [0,1,0,0,0,1|2,0,0]=4 9950 B14R1.123 ICCCCCOCc1cnccn1 34a_200012148887_100016995436 [0,1,0,0,0,1|2,0,0]=4 9951 B14R1.123 ICCCCCOCc1cnccn1 7a_200012148887_100016995436 [0,1,0,0,0,1|2,0,0]=4 9952 B14R1.123 ICCCCCOCc1ncccn1 34a_200012148887_100000703007 [0,1,0,0,0,1|2,0,0]=4 9953 B14R1.123 ICCCCCOCc1ncccn1 7a_200012148887_100000703007 [0,1,0,0,0,1|2,0,0]=4 9954 B14R1.123 ICCCCOCCc1ccccc1 34a_200012148704_100000765856 [0,1,0,0,0,1|2,0,0]=4 9955 B14R1.123 NCCCCCOCc1ccccc1 34a_100000762737_100015291786 [0,1,0,0,0,1|2,0,0]=4 9956 B14R1.123 NCCCCCOCc1ccccn1 34a_100000762737_100000721315 [0,1,0,0,0,1|2,0,0]=4 9957 B14R1.123 NCCCCCOCc1cccnc1 34a_100000762737_100000733263 [0,1,0,0,0,1|2,0,0]=4 9958 B14R1.123 NCCCCCOCc1cccnn1 34a_100000762737_100016990269 [0,1,0,0,0,1|2,0,0]=4 9959 B14R1.123 NCCCCCOCc1cnccn1 34a_100000762737_100016995436 [0,1,0,0,0,1|2,0,0]=4 9960 B14R1.123 NCCCCCOCc1ncccn1 34a_100000762737_100000703007 [0,1,0,0,0,1|2,0,0]=4 9961 B14R1.123 NCCCCOCCc1ccccc1 34a_100000750430_100000765856 [0,1,0,0,0,1|2,0,0]=4 9962 B14R1.123 NCCCOCCCc1ccccc1 34a_100000182051_100000211621 [0,1,0,0,0,1|2,0,0]=4 9963 B14R1.123 NCCOCCCCc1ccccc1 34a_100000210304_100000701786 [0,1,0,0,0,1|2,0,0]=4 9964 B14R1.123 OCCCCCCNc1ccccc1 34a_100000106764_100000766143 [0,1,0,0,0,1|2,0,0]=4 9965 B14R1.123 OCCCCCCNc1cccnn1 27a_100000686447_100016991348 [0,1,0,0,0,1|2,0,0]=4 9966 B14R1.123 OCCCCCCNc1ccncn1 27a_100000686447_100000703185 [0,1,0,0,0,1|2,0,0]=4 9967 B14R1.123 OCCCCCCNc1cnccn1 27a_100000686447_100000211759 [0,1,0,0,0,1|2,0,0]=4 9968 B14R1.123 OCCCCCCNc1ncccn1 27a_100000686447_100000211032 [0,1,0,0,0,1|2,0,0]=4 9969 B14R1.123 OCCCCCCOc1ccccc1 34a_100000210340_100000766143 [0,1,0,0,0,1|2,0,0]=4 9970 B14R1.123 OCCCCCCOc1ccccc1 7a_100000210340_100000766143 [0,1,0,0,0,1|2,0,0]=4 9971 B14R1.123 OCCCCCCOc1cccnc1 34a_100000210849_100000766143 [0,1,0,0,0,1|2,0,0]=4 9972 B14R1.123 OCCCCCCOc1cccnc1 7a_100000210849_100000766143 [0,1,0,0,0,1|2,0,0]=4 9973 B14R1.123 OCCCCCCOc1ccncc1 34a_100000212176_100000766143 [0,1,0,0,0,1|2,0,0]=4 9974 B14R1.123 OCCCCCCSc1ccccc1 62a_100000719477_100000766143 [0,1,0,0,0,1|2,0,0]=4 9975 B14R1.123 OCCCCCCSc1ccccc1 62a_100000766143_100000041952 [0,1,0,0,0,1|2,0,0]=4 9976 B14R1.123 OCCCCCCSc1ccccn1 62a_100000766143_100011216584 [0,1,0,0,0,1|2,0,0]=4 9977 B14R1.123 OCCCCCCSc1ccccn1 62a_100011216584_100000766143 [0,1,0,0,0,1|2,0,0]=4 9978 B14R1.123 OCCCCCCSc1cccnc1 62a_100000210063_100000766143 [0,1,0,0,0,1|2,0,0]=4 9979 B14R1.123 OCCCCCCSc1cccnc1 62a_100000766143_100000210063 [0,1,0,0,0,1|2,0,0]=4 9980 B14R1.123 OCCCCCCSc1cccnn1 62a_100000766143_100016991348 [0,1,0,0,0,1|2,0,0]=4 9981 B14R1.123 OCCCCCCSc1cccnn1 62a_100016991348_100000766143 [0,1,0,0,0,1|2,0,0]=4 9982 B14R1.123 OCCCCCCSc1ccncc1 62a_100000728582_100000766143 [0,1,0,0,0,1|2,0,0]=4 9983 B14R1.123 OCCCCCCSc1ccncc1 62a_100000766143_100000728582 [0,1,0,0,0,1|2,0,0]=4 9984 B14R1.123 OCCCCCCSc1ccncn1 62a_100000703185_100000766143 [0,1,0,0,0,1|2,0,0]=4 9985 B14R1.123 OCCCCCCSc1ccncn1 62a_100000766143_100000703185 [0,1,0,0,0,1|2,0,0]=4 9986 B14R1.123 OCCCCCCSc1cnccn1 62a_100000211759_100000766143 [0,1,0,0,0,1|2,0,0]=4 9987 B14R1.123 OCCCCCCSc1cnccn1 62a_100000766143_100000211759 [0,1,0,0,0,1|2,0,0]=4 9988 B14R1.123 OCCCCCCSc1ncccn1 62a_100000211032_100000766143 [0,1,0,0,0,1|2,0,0]=4 9989 B14R1.123 OCCCCCCSc1ncccn1 62a_100000766143_100000211032 [0,1,0,0,0,1|2,0,0]=4 9990 B14R1.123 OCCCCCNCc1ccccc1 207a_100000762737_100015611070 [0,1,0,0,0,1|2,0,0]=4 9991 B14R1.123 OCCCCCNCc1ccccc1 2230a_100000762737_100015291786 [0,1,0,0,0,1|2,0,0]=4 9992 B14R1.123 OCCCCCNCc1ccccc1 2230a_100015324214_100000746330 [0,1,0,0,0,1|2,0,0]=4 9993 B14R1.123 OCCCCCNCc1ccccc1 270004a_100000762737_100015611070 [0,1,0,0,0,1|2,0,0]=4 9994 B14R1.123 OCCCCCNCc1ccccc1 34a_100000762737_100015291786 [0,1,0,0,0,1|2,0,0]=4 9995 B14R1.123 OCCCCCNCc1ccccc1 34a_100015324214_100000746330 [0,1,0,0,0,1|2,0,0]=4 9996 B14R1.123 OCCCCCNCc1ccccn1 207a_100000762737_100000209966 [0,1,0,0,0,1|2,0,0]=4 9997 B14R1.123 OCCCCCNCc1ccccn1 2230a_100000762737_100000721315 [0,1,0,0,0,1|2,0,0]=4 9998 B14R1.123 OCCCCCNCc1ccccn1 270004a_100000762737_100000209966 [0,1,0,0,0,1|2,0,0]=4 9999 B14R1.123 OCCCCCNCc1ccccn1 34a_100000762737_100000721315 [0,1,0,0,0,1|2,0,0]=4 10000 B14R1.123 OCCCCCNCc1cccnc1 207a_100000762737_100000209961 [0,1,0,0,0,1|2,0,0]=4 10001 B14R1.123 OCCCCCNCc1cccnc1 2230a_100000762737_100000741622 [0,1,0,0,0,1|2,0,0]=4 10002 B14R1.123 OCCCCCNCc1cccnc1 270004a_100000762737_100000209961 [0,1,0,0,0,1|2,0,0]=4 10003 B14R1.123 OCCCCCNCc1cccnc1 34a_100000762737_100000733263 [0,1,0,0,0,1|2,0,0]=4 10004 B14R1.123 OCCCCCNCc1cccnn1 2230a_100000762737_100016990269 [0,1,0,0,0,1|2,0,0]=4 10005 B14R1.123 OCCCCCNCc1cccnn1 2230a_100159270163_100000746330 [0,1,0,0,0,1|2,0,0]=4 10006 B14R1.123 OCCCCCNCc1cccnn1 34a_100000762737_100016990269 [0,1,0,0,0,1|2,0,0]=4 10007 B14R1.123 OCCCCCNCc1ccncc1 207a_100000762737_100000186114 [0,1,0,0,0,1|2,0,0]=4 10008 B14R1.123 OCCCCCNCc1ccncc1 2230a_100000762737_100015193705 [0,1,0,0,0,1|2,0,0]=4 10009 B14R1.123 OCCCCCNCc1cnccn1 2230a_100000762737_100016995436 [0,1,0,0,0,1|2,0,0]=4 10010 B14R1.123 OCCCCCNCc1cnccn1 270004a_100000762737_100000749867 [0,1,0,0,0,1|2,0,0]=4 10011 B14R1.123 OCCCCCNCc1cnccn1 34a_100000762737_100016995436 [0,1,0,0,0,1|2,0,0]=4 10012 B14R1.123 OCCCCCNCc1ncccn1 2230a_100000762737_100000703007 [0,1,0,0,0,1|2,0,0]=4 10013 B14R1.123 OCCCCCNCc1ncccn1 270004a_100000762737_100011532527 [0,1,0,0,0,1|2,0,0]=4 10014 B14R1.123 OCCCCCNCc1ncccn1 34a_100000762737_100000703007 [0,1,0,0,0,1|2,0,0]=4 10015 B14R1.123 OCCCCCOCc1ccccc1 34a_100000210790_100000746330 [0,1,0,0,0,1|2,0,0]=4 10016 B14R1.123 OCCCCCOCc1ccccc1 7a_100000210790_100000746330 [0,1,0,0,0,1|2,0,0]=4 10017 B14R1.123 OCCCCCSCc1ccccc1 62a_100000211182_100000746330 [0,1,0,0,0,1|2,0,0]=4 10018 B14R1.123 OCCCCCSCc1ccccc1 62a_100000746330_100015291786 [0,1,0,0,0,1|2,0,0]=4 10019 B14R1.123 OCCCCCSCc1ccccn1 62a_100000721315_100000746330 [0,1,0,0,0,1|2,0,0]=4 10020 B14R1.123 OCCCCCSCc1ccccn1 62a_100000746330_100000721315 [0,1,0,0,0,1|2,0,0]=4 10021 B14R1.123 OCCCCCSCc1cccnc1 62a_100000741622_100000746330 [0,1,0,0,0,1|2,0,0]=4 10022 B14R1.123 OCCCCCSCc1cccnc1 62a_100000746330_100000741622 [0,1,0,0,0,1|2,0,0]=4 10023 B14R1.123 OCCCCCSCc1cccnn1 62a_100000746330_100016990269 [0,1,0,0,0,1|2,0,0]=4 10024 B14R1.123 OCCCCCSCc1cccnn1 62a_100016990269_100000746330 [0,1,0,0,0,1|2,0,0]=4 10025 B14R1.123 OCCCCCSCc1ccncc1 62a_100000746330_100015193705 [0,1,0,0,0,1|2,0,0]=4 10026 B14R1.123 OCCCCCSCc1ccncc1 62a_100015193705_100000746330 [0,1,0,0,0,1|2,0,0]=4 10027 B14R1.123 OCCCCCSCc1cnccn1 62a_100000746330_100016995436 [0,1,0,0,0,1|2,0,0]=4 10028 B14R1.123 OCCCCCSCc1cnccn1 62a_100016995436_100000746330 [0,1,0,0,0,1|2,0,0]=4 10029 B14R1.123 OCCCCCSCc1ncccn1 62a_100000703007_100000746330 [0,1,0,0,0,1|2,0,0]=4 10030 B14R1.123 OCCCCCSCc1ncccn1 62a_100000746330_100000703007 [0,1,0,0,0,1|2,0,0]=4 10031 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000106460_100000210776 [0,1,0,0,0,1|2,0,0]=4 10032 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000750430_100000765856 [0,1,0,0,0,1|2,0,0]=4 10033 B14R1.123 OCCCCNCCc1ccccc1 34a_100000106460_100011216708 [0,1,0,0,0,1|2,0,0]=4 10034 B14R1.123 OCCCCNCCc1ccccc1 34a_100000750430_100000765856 [0,1,0,0,0,1|2,0,0]=4 10035 B14R1.123 OCCCCNCCc1ccccn1 2230a_100000750430_100015183660 [0,1,0,0,0,1|2,0,0]=4 10036 B14R1.123 OCCCCNCCc1cccnc1 2230a_100000736294_100000210776 [0,1,0,0,0,1|2,0,0]=4 10037 B14R1.123 OCCCCNCCc1cccnc1 2230a_100000750430_200011713674 [0,1,0,0,0,1|2,0,0]=4 10038 B14R1.123 OCCCCNCCc1ccncc1 2230a_100000750430_100000723409 [0,1,0,0,0,1|2,0,0]=4 10039 B14R1.123 OCCCCOCCc1ccccc1 34a_100000210268_100011216708 [0,1,0,0,0,1|2,0,0]=4 10040 B14R1.123 OCCCCOCCc1ccccc1 7a_100000210268_100000210776 [0,1,0,0,0,1|2,0,0]=4 10041 B14R1.123 OCCCCOCCc1ccccn1 34a_100000210271_100011216708 [0,1,0,0,0,1|2,0,0]=4 10042 B14R1.123 OCCCCOCCc1cccnc1 34a_100011217484_100011216708 [0,1,0,0,0,1|2,0,0]=4 10043 B14R1.123 OCCCCOCCc1ccncc1 34a_100011216225_100011216708 [0,1,0,0,0,1|2,0,0]=4 10044 B14R1.123 OCCCCOCCc1cnccn1 34a_100011349526_100011216708 [0,1,0,0,0,1|2,0,0]=4 10045 B14R1.123 OCCCCSCCc1ccccc1 62a_100000210776_100011218657 [0,1,0,0,0,1|2,0,0]=4 10046 B14R1.123 OCCCCSCCc1ccccc1 62a_100000765856_100000210776 [0,1,0,0,0,1|2,0,0]=4 10047 B14R1.123 OCCCCSCCc1ccccn1 62a_100000210776_100015183660 [0,1,0,0,0,1|2,0,0]=4 10048 B14R1.123 OCCCCSCCc1ccccn1 62a_100015183660_100000210776 [0,1,0,0,0,1|2,0,0]=4 10049 B14R1.123 OCCCCSCCc1cccnc1 62a_100000210776_200011713674 [0,1,0,0,0,1|2,0,0]=4 10050 B14R1.123 OCCCCSCCc1cccnc1 62a_200011713674_100000210776 [0,1,0,0,0,1|2,0,0]=4 10051 B14R1.123 OCCCCSCCc1ccncc1 62a_100000210776_100000723409 [0,1,0,0,0,1|2,0,0]=4 10052 B14R1.123 OCCCCSCCc1ccncc1 62a_100000723409_100000210776 [0,1,0,0,0,1|2,0,0]=4 10053 B14R1.123 OCCCNCCCc1ccccc1 2230a_100000211184_100000230001 [0,1,0,0,0,1|2,0,0]=4 10054 B14R1.123 OCCCNCCCc1ccccc1 34a_100000211184_100000230001 [0,1,0,0,0,1|2,0,0]=4 10055 B14R1.123 OCCCNCCCc1cccnc1 2230a_100011532358_100000230001 [0,1,0,0,0,1|2,0,0]=4 10056 B14R1.123 OCCCNCCCc1cccnc1 34a_100011532358_100000230001 [0,1,0,0,0,1|2,0,0]=4 10057 B14R1.123 OCCCNCCCc1ccncc1 2230a_100011275580_100000230001 [0,1,0,0,0,1|2,0,0]=4 10058 B14R1.123 OCCCOCCCC1=CCC=CC1 34a_100020667889_100000230001 [0,1,0,0,0,1|2,0,0]=4 10059 B14R1.123 OCCCOCCCc1ccccc1 34a_100000210828_100000230001 [0,1,0,0,0,1|2,0,0]=4 10060 B14R1.123 OCCCOCCCc1ccccc1 7a_100000210828_100011215043 [0,1,0,0,0,1|2,0,0]=4 10061 B14R1.123 OCCCOCCCc1ccccn1 34a_100011215068_100000230001 [0,1,0,0,0,1|2,0,0]=4 10062 B14R1.123 OCCCOCCCc1cccnc1 34a_100000211284_100000230001 [0,1,0,0,0,1|2,0,0]=4 10063 B14R1.123 OCCCOCCCc1ccncc1 34a_100000210659_100000230001 [0,1,0,0,0,1|2,0,0]=4 10064 B14R1.123 OCCCSCCCc1ccccc1 62a_100000211621_100011215043 [0,1,0,0,0,1|2,0,0]=4 10065 B14R1.123 OCCCSCCCc1ccccc1 62a_100011215043_100000211621 [0,1,0,0,0,1|2,0,0]=4 10066 B14R1.123 OCCNCCCCc1ccccc1 2230a_100015280158_100000211926 [0,1,0,0,0,1|2,0,0]=4 10067 B14R1.123 OCCNCCCCc1ccccc1 2230a_100016997473_100000701786 [0,1,0,0,0,1|2,0,0]=4 10068 B14R1.123 OCCNCCCCc1ccccc1 34a_100015280158_100000211926 [0,1,0,0,0,1|2,0,0]=4 10069 B14R1.123 OCCNCCCCc1ccccc1 34a_100016990907_100000701786 [0,1,0,0,0,1|2,0,0]=4 10070 B14R1.123 OCCNCCCCc1ccncc1 2230a_100016997473_100020630000 [0,1,0,0,0,1|2,0,0]=4 10071 B14R1.123 OCCOCCCCc1ccccc1 34a_100000703073_100000211926 [0,1,0,0,0,1|2,0,0]=4 10072 B14R1.123 OCCOCCCCc1ccccc1 7a_100000703073_100000211926 [0,1,0,0,0,1|2,0,0]=4 10073 B14R1.123 OCCOCCCCc1ccccn1 34a_100012186994_100000211926 [0,1,0,0,0,1|2,0,0]=4 10074 B14R1.123 OCCOCCCCc1cccnc1 34a_100012039607_100000211926 [0,1,0,0,0,1|2,0,0]=4 10075 B14R1.123 OCCOCCCCc1cccnc1 7a_100012039607_100000211926 [0,1,0,0,0,1|2,0,0]=4 10076 B14R1.123 OCCOCCCCc1ccncc1 34a_100011787716_100000211926 [0,1,0,0,0,1|2,0,0]=4 10077 B14R1.123 OCCSCCCCc1ccccc1 62a_100000211926_100000701786 [0,1,0,0,0,1|2,0,0]=4 10078 B14R1.123 OCCSCCCCc1ccccc1 62a_100000701786_100000211926 [0,1,0,0,0,1|2,0,0]=4 10079 B14R1.123 OCCSCCCCc1ccncc1 62a_100000211926_100020630000 [0,1,0,0,0,1|2,0,0]=4 10080 B14R1.123 OCCSCCCCc1ccncc1 62a_100020630000_100000211926 [0,1,0,0,0,1|2,0,0]=4 10081 B14R1.123 [13CH3]NCCCCOCc1ccccc1 2230a_100000748060_200025704644 [0,1,0,0,0,1|2,0,0]=4 10082 B14R1.123 [13CH3]NCCCCOCc1ccccc1 34a_100000748060_200025704644 [0,1,0,0,0,1|2,0,0]=4 10083 B14R1.123 [13CH3]OCCCCCCc1ccccc1 34a_100011215581_200025704644 [0,1,0,0,0,1|1,0,0]=3 10084 B14R1.123 [13CH3]OCCCCCCc1ccccc1 7a_100011215581_200025704644 [0,1,0,0,0,1|1,0,0]=3 10085 B14R1.123 [13CH3]OCCCCNCc1ccccc1 34a_100000186360_200025704644 [0,1,0,0,0,1|2,0,0]=4 10086 B14R1.123 [13CH3]OCCCCOCc1ccccc1 34a_100011215074_200025704644 [0,1,0,0,0,1|2,0,0]=4 10087 B14R1.123 [13CH3]OCCCCOCc1ccccc1 7a_100011215074_200025704644 [0,1,0,0,0,1|2,0,0]=4 10088 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_100011218729_200025704644 [0,1,0,0,0,1|1,0,0]=3 10089 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_200025704644_100011218729 [0,1,0,0,0,1|1,0,0]=3 10090 B14R1.123 [13CH3]SCCCCCOc1ccccc1 62a_200011777167_200025704644 [0,1,0,0,0,1|2,0,0]=4 10091 B14R1.123 [13CH3]SCCCCCOc1ccccc1 62a_200025704644_200011777167 [0,1,0,0,0,1|2,0,0]=4 10092 B14R1.123 [13CH3]SCCCCOCc1ccccc1 62a_100011219843_200025704644 [0,1,0,0,0,1|2,0,0]=4 10093 B14R1.123 [13CH3]SCCCCOCc1ccccc1 62a_200025704644_100011219843 [0,1,0,0,0,1|2,0,0]=4 10094 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,1,0,0,0,1|1,0,1]=4 10095 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,1,0,0,0,1|1,0,1]=4 10096 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100000210183_100015183660 [0,1,0,0,0,1|1,0,1]=4 10097 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210211 [0,1,0,0,0,1|1,0,1]=4 10098 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210211 [0,1,0,0,0,1|1,0,1]=4 10099 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000210183_200011713674 [0,1,0,0,0,1|1,0,1]=4 10100 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100000210183_100000723409 [0,1,0,0,0,1|1,0,1]=4 10101 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210211 [0,1,0,0,0,1|1,0,1]=4 10102 B14R1.156 CCCCC(C)NCc1ccccc1 207a_100000126638_100015611070 [0,1,0,0,0,1|2,0,0]=4 10103 B14R1.156 CCCCC(C)NCc1ccccc1 2230a_100000126638_100015291786 [0,1,0,0,0,1|2,0,0]=4 10104 B14R1.156 CCCCC(C)NCc1ccccc1 2230a_100015324214_200011215066 [0,1,0,0,0,1|2,0,0]=4 10105 B14R1.156 CCCCC(C)NCc1ccccc1 270004a_100000126638_100015611070 [0,1,0,0,0,1|2,0,0]=4 10106 B14R1.156 CCCCC(C)NCc1ccccc1 270004a_100015324214_100000210087 [0,1,0,0,0,1|2,0,0]=4 10107 B14R1.156 CCCCC(C)NCc1ccccc1 34a_100015324214_200011215066 [0,1,0,0,0,1|2,0,0]=4 10108 B14R1.156 CCCCC(C)NCc1ccccn1 207a_100000126638_100000209966 [0,1,0,0,0,1|2,0,0]=4 10109 B14R1.156 CCCCC(C)NCc1ccccn1 2230a_100000126638_100000721315 [0,1,0,0,0,1|2,0,0]=4 10110 B14R1.156 CCCCC(C)NCc1ccccn1 270004a_100000126638_100000209966 [0,1,0,0,0,1|2,0,0]=4 10111 B14R1.156 CCCCC(C)NCc1ccccn1 270004a_100000210449_100000210087 [0,1,0,0,0,1|2,0,0]=4 10112 B14R1.156 CCCCC(C)NCc1cccnc1 207a_100000126638_100000209961 [0,1,0,0,0,1|2,0,0]=4 10113 B14R1.156 CCCCC(C)NCc1cccnc1 2230a_100000126638_100000741622 [0,1,0,0,0,1|2,0,0]=4 10114 B14R1.156 CCCCC(C)NCc1cccnc1 270004a_100000126638_100000209961 [0,1,0,0,0,1|2,0,0]=4 10115 B14R1.156 CCCCC(C)NCc1cccnc1 270004a_100000210453_100000210087 [0,1,0,0,0,1|2,0,0]=4 10116 B14R1.156 CCCCC(C)NCc1cccnn1 2230a_100000126638_100016990269 [0,1,0,0,0,1|2,0,0]=4 10117 B14R1.156 CCCCC(C)NCc1cccnn1 2230a_100159270163_200011215066 [0,1,0,0,0,1|2,0,0]=4 10118 B14R1.156 CCCCC(C)NCc1ccncc1 207a_100000126638_100000186114 [0,1,0,0,0,1|2,0,0]=4 10119 B14R1.156 CCCCC(C)NCc1ccncc1 2230a_100000126638_100015193705 [0,1,0,0,0,1|2,0,0]=4 10120 B14R1.156 CCCCC(C)NCc1cnccn1 2230a_100000126638_100016995436 [0,1,0,0,0,1|2,0,0]=4 10121 B14R1.156 CCCCC(C)NCc1cnccn1 270004a_100000126638_100000749867 [0,1,0,0,0,1|2,0,0]=4 10122 B14R1.156 CCCCC(C)NCc1ncccn1 2230a_100000126638_100000703007 [0,1,0,0,0,1|2,0,0]=4 10123 B14R1.156 CCCCC(C)NCc1ncccn1 270004a_100000126638_100011532527 [0,1,0,0,0,1|2,0,0]=4 10124 B14R1.156 CCCCC(C)OCc1ccccc1 34a_100000210790_200011215066 [0,1,0,0,0,1|2,0,0]=4 10125 B14R1.156 CCCCC(C)OCc1ccccc1 34a_100000687866_100015291786 [0,1,0,0,0,1|2,0,0]=4 10126 B14R1.156 CCCCC(C)OCc1ccccc1 7a_100000210790_200011215066 [0,1,0,0,0,1|2,0,0]=4 10127 B14R1.156 CCCCC(C)OCc1ccccc1 7a_100000687866_100000211182 [0,1,0,0,0,1|2,0,0]=4 10128 B14R1.156 CCCCC(C)OCc1ccccn1 34a_100000687866_100000721315 [0,1,0,0,0,1|2,0,0]=4 10129 B14R1.156 CCCCC(C)OCc1ccccn1 7a_100000687866_100000721315 [0,1,0,0,0,1|2,0,0]=4 10130 B14R1.156 CCCCC(C)OCc1cccnc1 34a_100000687866_100000733263 [0,1,0,0,0,1|2,0,0]=4 10131 B14R1.156 CCCCC(C)OCc1cccnc1 7a_100000687866_100000741622 [0,1,0,0,0,1|2,0,0]=4 10132 B14R1.156 CCCCC(C)OCc1cccnn1 34a_100000687866_100016990269 [0,1,0,0,0,1|2,0,0]=4 10133 B14R1.156 CCCCC(C)OCc1cccnn1 7a_100000687866_100016990269 [0,1,0,0,0,1|2,0,0]=4 10134 B14R1.156 CCCCC(C)OCc1ccncc1 7a_100000687866_100015193705 [0,1,0,0,0,1|2,0,0]=4 10135 B14R1.156 CCCCC(C)OCc1cnccn1 34a_100000687866_100016995436 [0,1,0,0,0,1|2,0,0]=4 10136 B14R1.156 CCCCC(C)OCc1cnccn1 7a_100000687866_100016995436 [0,1,0,0,0,1|2,0,0]=4 10137 B14R1.156 CCCCC(C)OCc1ncccn1 34a_100000687866_100000703007 [0,1,0,0,0,1|2,0,0]=4 10138 B14R1.156 CCCCC(C)OCc1ncccn1 7a_100000687866_100000703007 [0,1,0,0,0,1|2,0,0]=4 10139 B14R1.156 CCCCC(C)SCc1ccccc1 62a_100000211182_200011215066 [0,1,0,0,0,1|2,0,0]=4 10140 B14R1.156 CCCCC(C)SCc1ccccc1 62a_200011215066_100015291786 [0,1,0,0,0,1|2,0,0]=4 10141 B14R1.156 CCCCC(C)SCc1ccccn1 62a_100000721315_200011215066 [0,1,0,0,0,1|2,0,0]=4 10142 B14R1.156 CCCCC(C)SCc1ccccn1 62a_200011215066_100000721315 [0,1,0,0,0,1|2,0,0]=4 10143 B14R1.156 CCCCC(C)SCc1cccnc1 62a_100000741622_200011215066 [0,1,0,0,0,1|2,0,0]=4 10144 B14R1.156 CCCCC(C)SCc1cccnc1 62a_200011215066_100000741622 [0,1,0,0,0,1|2,0,0]=4 10145 B14R1.156 CCCCC(C)SCc1cccnn1 62a_100016990269_200011215066 [0,1,0,0,0,1|2,0,0]=4 10146 B14R1.156 CCCCC(C)SCc1cccnn1 62a_200011215066_100016990269 [0,1,0,0,0,1|2,0,0]=4 10147 B14R1.156 CCCCC(C)SCc1ccncc1 62a_100015193705_200011215066 [0,1,0,0,0,1|2,0,0]=4 10148 B14R1.156 CCCCC(C)SCc1ccncc1 62a_200011215066_100015193705 [0,1,0,0,0,1|2,0,0]=4 10149 B14R1.156 CCCCC(C)SCc1cnccn1 62a_100016995436_200011215066 [0,1,0,0,0,1|2,0,0]=4 10150 B14R1.156 CCCCC(C)SCc1cnccn1 62a_200011215066_100016995436 [0,1,0,0,0,1|2,0,0]=4 10151 B14R1.156 CCCCC(C)SCc1ncccn1 62a_100000703007_200011215066 [0,1,0,0,0,1|2,0,0]=4 10152 B14R1.156 CCCCC(C)SCc1ncccn1 62a_200011215066_100000703007 [0,1,0,0,0,1|2,0,0]=4 10153 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207497_100000210211 [0,1,0,0,0,1|2,0,0]=4 10154 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207549_100000765856 [0,1,0,0,0,1|2,0,0]=4 10155 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207497_100000210211 [0,1,0,0,0,1|2,0,0]=4 10156 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207549_100000765856 [0,1,0,0,0,1|2,0,0]=4 10157 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000207549_100015183660 [0,1,0,0,0,1|2,0,0]=4 10158 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000737206_100000210211 [0,1,0,0,0,1|2,0,0]=4 10159 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000207549_100015183660 [0,1,0,0,0,1|2,0,0]=4 10160 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000737206_100000210211 [0,1,0,0,0,1|2,0,0]=4 10161 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000207549_200011713674 [0,1,0,0,0,1|2,0,0]=4 10162 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000763209_100000210211 [0,1,0,0,0,1|2,0,0]=4 10163 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000207549_200011713674 [0,1,0,0,0,1|2,0,0]=4 10164 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000763209_100000210211 [0,1,0,0,0,1|2,0,0]=4 10165 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000207549_100000723409 [0,1,0,0,0,1|2,0,0]=4 10166 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000742850_100000210211 [0,1,0,0,0,1|2,0,0]=4 10167 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000207549_100000723409 [0,1,0,0,0,1|2,0,0]=4 10168 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000742850_100000210211 [0,1,0,0,0,1|2,0,0]=4 10169 B14R1.156 CCCNC(C)CCc1ccccc1 2230a_100000210798_100000210303 [0,1,0,0,0,1|2,0,0]=4 10170 B14R1.156 CCCNC(C)CCc1ccccc1 270004a_100020643023_100000210092 [0,1,0,0,0,1|2,0,0]=4 10171 B14R1.156 CCCNC(C)CCc1ccccc1 34a_100000210798_100000210303 [0,1,0,0,0,1|2,0,0]=4 10172 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210303 [0,1,0,0,0,1|2,0,0]=4 10173 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210303 [0,1,0,0,0,1|2,0,0]=4 10174 B14R1.156 CNCCC(C)CCc1ccccc1 269862a_106832991636_200000075208 [0,1,0,0,0,1|2,0,0]=4 10175 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,1,0,0,0,1|1,0,1]=4 10176 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [0,1,0,0,0,1|1,0,1]=4 10177 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [0,1,0,0,0,1|1,0,1]=4 10178 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [0,1,0,0,0,1|1,0,1]=4 10179 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [0,1,0,0,0,1|1,0,1]=4 10180 B14R1.158 CCCCCC(=O)Cc1cccnn1 1458a_100000212188_100016990269 [0,1,0,0,0,1|1,0,1]=4 10181 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [0,1,0,0,0,1|1,0,1]=4 10182 B14R1.158 CCCCCC(=O)Cc1cnccn1 1458a_100000212188_100016995436 [0,1,0,0,0,1|1,0,1]=4 10183 B14R1.158 CCCCCC(=O)Cc1ncccn1 1458a_100000212188_100000703007 [0,1,0,0,0,1|1,0,1]=4 10184 B14R1.158 CCCCCC(C)Nc1ccccc1 34a_100000106764_200011218191 [0,1,0,0,0,1|2,0,0]=4 10185 B14R1.158 CCCCCC(C)Nc1cccnn1 27a_100000211957_100016991348 [0,1,0,0,0,1|2,0,0]=4 10186 B14R1.158 CCCCCC(C)Nc1ccncn1 27a_100000211957_100000703185 [0,1,0,0,0,1|2,0,0]=4 10187 B14R1.158 CCCCCC(C)Nc1cnccn1 27a_100000211957_100000211759 [0,1,0,0,0,1|2,0,0]=4 10188 B14R1.158 CCCCCC(C)Nc1ncccn1 27a_100000211957_100000211032 [0,1,0,0,0,1|2,0,0]=4 10189 B14R1.158 CCCCCC(C)Oc1ccccc1 34a_100000210340_200011218191 [0,1,0,0,0,1|2,0,0]=4 10190 B14R1.158 CCCCCC(C)Oc1ccccc1 7a_100000210340_200011218191 [0,1,0,0,0,1|2,0,0]=4 10191 B14R1.158 CCCCCC(C)Oc1cccnc1 34a_100000210849_200011218191 [0,1,0,0,0,1|2,0,0]=4 10192 B14R1.158 CCCCCC(C)Oc1cccnc1 7a_100000210849_200011218191 [0,1,0,0,0,1|2,0,0]=4 10193 B14R1.158 CCCCCC(C)Oc1ccncc1 34a_100000212176_200011218191 [0,1,0,0,0,1|2,0,0]=4 10194 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_100000719477_200011218191 [0,1,0,0,0,1|2,0,0]=4 10195 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_200011218191_100000041952 [0,1,0,0,0,1|2,0,0]=4 10196 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_100011216584_200011218191 [0,1,0,0,0,1|2,0,0]=4 10197 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_200011218191_100011216584 [0,1,0,0,0,1|2,0,0]=4 10198 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_100000210063_200011218191 [0,1,0,0,0,1|2,0,0]=4 10199 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_200011218191_100000210063 [0,1,0,0,0,1|2,0,0]=4 10200 B14R1.158 CCCCCC(C)Sc1cccnn1 62a_100016991348_200011218191 [0,1,0,0,0,1|2,0,0]=4 10201 B14R1.158 CCCCCC(C)Sc1cccnn1 62a_200011218191_100016991348 [0,1,0,0,0,1|2,0,0]=4 10202 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_100000728582_200011218191 [0,1,0,0,0,1|2,0,0]=4 10203 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_200011218191_100000728582 [0,1,0,0,0,1|2,0,0]=4 10204 B14R1.158 CCCCCC(C)Sc1ccncn1 62a_100000703185_200011218191 [0,1,0,0,0,1|2,0,0]=4 10205 B14R1.158 CCCCCC(C)Sc1ccncn1 62a_200011218191_100000703185 [0,1,0,0,0,1|2,0,0]=4 10206 B14R1.158 CCCCCC(C)Sc1cnccn1 62a_100000211759_200011218191 [0,1,0,0,0,1|2,0,0]=4 10207 B14R1.158 CCCCCC(C)Sc1cnccn1 62a_200011218191_100000211759 [0,1,0,0,0,1|2,0,0]=4 10208 B14R1.158 CCCCCC(C)Sc1ncccn1 62a_100000211032_200011218191 [0,1,0,0,0,1|2,0,0]=4 10209 B14R1.158 CCCCCC(C)Sc1ncccn1 62a_200011218191_100000211032 [0,1,0,0,0,1|2,0,0]=4 10210 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210326 [0,1,0,0,0,1|2,0,0]=4 10211 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000223495_100015291786 [0,1,0,0,0,1|2,0,0]=4 10212 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210215 [0,1,0,0,0,1|2,0,0]=4 10213 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000223495_100000211182 [0,1,0,0,0,1|2,0,0]=4 10214 B14R1.158 CCCCCN(C)Cc1ccccc1 270004a_100000223495_100015611070 [0,1,0,0,0,1|2,0,0]=4 10215 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000207498_100000210326 [0,1,0,0,0,1|2,0,0]=4 10216 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000223495_100000721315 [0,1,0,0,0,1|2,0,0]=4 10217 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000207498_100000210215 [0,1,0,0,0,1|2,0,0]=4 10218 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000223495_100000721315 [0,1,0,0,0,1|2,0,0]=4 10219 B14R1.158 CCCCCN(C)Cc1ccccn1 270004a_100000223495_100000209966 [0,1,0,0,0,1|2,0,0]=4 10220 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000184577_100000210326 [0,1,0,0,0,1|2,0,0]=4 10221 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000223495_100000741622 [0,1,0,0,0,1|2,0,0]=4 10222 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000184577_100000210215 [0,1,0,0,0,1|2,0,0]=4 10223 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000223495_100000733263 [0,1,0,0,0,1|2,0,0]=4 10224 B14R1.158 CCCCCN(C)Cc1cccnc1 270004a_100000223495_100000209961 [0,1,0,0,0,1|2,0,0]=4 10225 B14R1.158 CCCCCN(C)Cc1cccnn1 2230a_100000223495_100016990269 [0,1,0,0,0,1|2,0,0]=4 10226 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000187231_100000210326 [0,1,0,0,0,1|2,0,0]=4 10227 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000223495_100015193705 [0,1,0,0,0,1|2,0,0]=4 10228 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000187231_100000210215 [0,1,0,0,0,1|2,0,0]=4 10229 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000223495_100015193705 [0,1,0,0,0,1|2,0,0]=4 10230 B14R1.158 CCCCCN(C)Cc1cnccn1 2230a_100000223495_100016995436 [0,1,0,0,0,1|2,0,0]=4 10231 B14R1.158 CCCCCN(C)Cc1cnccn1 2230a_100011269079_100000210326 [0,1,0,0,0,1|2,0,0]=4 10232 B14R1.158 CCCCCN(C)Cc1cnccn1 269982a_100000223495_100016995436 [0,1,0,0,0,1|2,0,0]=4 10233 B14R1.158 CCCCCN(C)Cc1cnccn1 269982a_100011269079_100000210215 [0,1,0,0,0,1|2,0,0]=4 10234 B14R1.158 CCCCCN(C)Cc1cnccn1 270004a_100000223495_100000749867 [0,1,0,0,0,1|2,0,0]=4 10235 B14R1.158 CCCCCN(C)Cc1ncccn1 2230a_100000223495_100000703007 [0,1,0,0,0,1|2,0,0]=4 10236 B14R1.158 CCCCCN(C)Cc1ncccn1 2230a_100025716638_100000210326 [0,1,0,0,0,1|2,0,0]=4 10237 B14R1.158 CCCCCN(C)Cc1ncccn1 269982a_100000223495_100000703007 [0,1,0,0,0,1|2,0,0]=4 10238 B14R1.158 CCCCCN(C)Cc1ncccn1 269982a_100025716638_100000210215 [0,1,0,0,0,1|2,0,0]=4 10239 B14R1.158 CCCCCN(C)Cc1ncccn1 270004a_100000223495_100011532527 [0,1,0,0,0,1|2,0,0]=4 10240 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [0,1,0,0,0,1|2,0,0]=4 10241 B14R1.158 CCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210211 [0,1,0,0,0,1|2,0,0]=4 10242 B14R1.158 CCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210211 [0,1,0,0,0,1|2,0,0]=4 10243 B14R1.158 CCCCNC(C)Cc1cccnc1 270004a_100000102301_100015187140 [0,1,0,0,0,1|2,0,0]=4 10244 B14R1.158 CCCCNC(C)Cc1ccncc1 270004a_100000102301_100000238508 [0,1,0,0,0,1|2,0,0]=4 10245 B14R1.158 CCCCNC(C)Cc1cnccn1 2230a_100011277835_100000210211 [0,1,0,0,0,1|2,0,0]=4 10246 B14R1.158 CCCCNC(C)Cc1cnccn1 270004a_100000102301_100015184882 [0,1,0,0,0,1|2,0,0]=4 10247 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,1,0,0,0,1|2,0,0]=4 10248 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,1,0,0,0,1|2,0,0]=4 10249 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,1,0,0,0,1|2,0,0]=4 10250 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,1,0,0,0,1|2,0,0]=4 10251 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_100000210211_200011218536 [0,1,0,0,0,1|2,0,0]=4 10252 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_200011218536_100000210210 [0,1,0,0,0,1|2,0,0]=4 10253 B14R1.158 CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210303 [0,1,0,0,0,1|2,0,0]=4 10254 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [0,1,0,0,0,1|2,0,0]=4 10255 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [0,1,0,0,0,1|2,0,0]=4 10256 B14R1.158 CCCOCC(N)Cc1ccccc1 34a_100000739027_100000210303 [0,1,0,0,0,1|2,0,0]=4 10257 B14R1.158 CCCOC[C@@H](O)Cc1ccccc1 34a_100000210258_100000729385 [0,1,0,0,0,1|2,0,0]=4 10258 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000210303_100000729385 [0,1,0,0,0,1|2,0,0]=4 10259 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210303 [0,1,0,0,0,1|2,0,0]=4 10260 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [0,1,0,0,0,1|1,0,1]=4 10261 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [0,1,0,0,0,1|1,0,1]=4 10262 B14R1.422 CC(Br)CCOCCc1ccccc1 34a_100009893172_100000765856 [0,1,0,0,0,1|2,0,0]=4 10263 B14R1.422 CC(Br)COCCCc1ccccc1 34a_100012180447_100000211621 [0,1,0,0,0,1|2,0,0]=4 10264 B14R1.422 CC(C)CCCCNc1ccccc1 34a_100000106764_100011216152 [0,1,0,0,0,1|2,0,0]=4 10265 B14R1.422 CC(C)CCCCOc1ccccc1 34a_100000210340_100011216152 [0,1,0,0,0,1|2,0,0]=4 10266 B14R1.422 CC(C)CCCCOc1ccccc1 7a_100000210340_100011216152 [0,1,0,0,0,1|2,0,0]=4 10267 B14R1.422 CC(C)CCCCOc1cccnc1 34a_100000210849_100011216152 [0,1,0,0,0,1|2,0,0]=4 10268 B14R1.422 CC(C)CCCCOc1cccnc1 7a_100000210849_100011216152 [0,1,0,0,0,1|2,0,0]=4 10269 B14R1.422 CC(C)CCCCOc1ccncc1 34a_100000212176_100011216152 [0,1,0,0,0,1|2,0,0]=4 10270 B14R1.422 CC(C)CCCCSc1ccccc1 62a_100000719477_100011216152 [0,1,0,0,0,1|2,0,0]=4 10271 B14R1.422 CC(C)CCCCSc1ccccc1 62a_100011216152_100000041952 [0,1,0,0,0,1|2,0,0]=4 10272 B14R1.422 CC(C)CCCCSc1ccccn1 62a_100011216152_100011216584 [0,1,0,0,0,1|2,0,0]=4 10273 B14R1.422 CC(C)CCCCSc1ccccn1 62a_100011216584_100011216152 [0,1,0,0,0,1|2,0,0]=4 10274 B14R1.422 CC(C)CCCCSc1cccnc1 62a_100000210063_100011216152 [0,1,0,0,0,1|2,0,0]=4 10275 B14R1.422 CC(C)CCCCSc1cccnc1 62a_100011216152_100000210063 [0,1,0,0,0,1|2,0,0]=4 10276 B14R1.422 CC(C)CCCCSc1cccnn1 62a_100011216152_100016991348 [0,1,0,0,0,1|2,0,0]=4 10277 B14R1.422 CC(C)CCCCSc1cccnn1 62a_100016991348_100011216152 [0,1,0,0,0,1|2,0,0]=4 10278 B14R1.422 CC(C)CCCCSc1ccncc1 62a_100000728582_100011216152 [0,1,0,0,0,1|2,0,0]=4 10279 B14R1.422 CC(C)CCCCSc1ccncc1 62a_100011216152_100000728582 [0,1,0,0,0,1|2,0,0]=4 10280 B14R1.422 CC(C)CCCCSc1ccncn1 62a_100000703185_100011216152 [0,1,0,0,0,1|2,0,0]=4 10281 B14R1.422 CC(C)CCCCSc1ccncn1 62a_100011216152_100000703185 [0,1,0,0,0,1|2,0,0]=4 10282 B14R1.422 CC(C)CCCCSc1cnccn1 62a_100000211759_100011216152 [0,1,0,0,0,1|2,0,0]=4 10283 B14R1.422 CC(C)CCCCSc1cnccn1 62a_100011216152_100000211759 [0,1,0,0,0,1|2,0,0]=4 10284 B14R1.422 CC(C)CCCCSc1ncccn1 62a_100000211032_100011216152 [0,1,0,0,0,1|2,0,0]=4 10285 B14R1.422 CC(C)CCCCSc1ncccn1 62a_100011216152_100000211032 [0,1,0,0,0,1|2,0,0]=4 10286 B14R1.422 CC(C)CCCNCc1ccccc1 207a_200000737386_100015611070 [0,1,0,0,0,1|2,0,0]=4 10287 B14R1.422 CC(C)CCCNCc1ccccc1 2230a_100015324214_100011214892 [0,1,0,0,0,1|2,0,0]=4 10288 B14R1.422 CC(C)CCCNCc1ccccc1 2230a_200000737386_100015291786 [0,1,0,0,0,1|2,0,0]=4 10289 B14R1.422 CC(C)CCCNCc1ccccc1 270004a_200000737386_100015611070 [0,1,0,0,0,1|2,0,0]=4 10290 B14R1.422 CC(C)CCCNCc1ccccc1 34a_100015324214_100011214892 [0,1,0,0,0,1|2,0,0]=4 10291 B14R1.422 CC(C)CCCNCc1ccccc1 34a_200000737386_100015291786 [0,1,0,0,0,1|2,0,0]=4 10292 B14R1.422 CC(C)CCCNCc1ccccn1 207a_200000737386_100000209966 [0,1,0,0,0,1|2,0,0]=4 10293 B14R1.422 CC(C)CCCNCc1ccccn1 2230a_200000737386_100000721315 [0,1,0,0,0,1|2,0,0]=4 10294 B14R1.422 CC(C)CCCNCc1ccccn1 270004a_200000737386_100000209966 [0,1,0,0,0,1|2,0,0]=4 10295 B14R1.422 CC(C)CCCNCc1ccccn1 34a_200000737386_100000721315 [0,1,0,0,0,1|2,0,0]=4 10296 B14R1.422 CC(C)CCCNCc1cccnc1 207a_200000737386_100000209961 [0,1,0,0,0,1|2,0,0]=4 10297 B14R1.422 CC(C)CCCNCc1cccnc1 2230a_200000737386_100000741622 [0,1,0,0,0,1|2,0,0]=4 10298 B14R1.422 CC(C)CCCNCc1cccnc1 270004a_200000737386_100000209961 [0,1,0,0,0,1|2,0,0]=4 10299 B14R1.422 CC(C)CCCNCc1cccnc1 34a_200000737386_100000733263 [0,1,0,0,0,1|2,0,0]=4 10300 B14R1.422 CC(C)CCCNCc1cccnn1 2230a_100159270163_100011214892 [0,1,0,0,0,1|2,0,0]=4 10301 B14R1.422 CC(C)CCCNCc1cccnn1 2230a_200000737386_100016990269 [0,1,0,0,0,1|2,0,0]=4 10302 B14R1.422 CC(C)CCCNCc1cccnn1 34a_200000737386_100016990269 [0,1,0,0,0,1|2,0,0]=4 10303 B14R1.422 CC(C)CCCNCc1ccncc1 207a_200000737386_100000186114 [0,1,0,0,0,1|2,0,0]=4 10304 B14R1.422 CC(C)CCCNCc1ccncc1 2230a_200000737386_100015193705 [0,1,0,0,0,1|2,0,0]=4 10305 B14R1.422 CC(C)CCCNCc1cnccn1 2230a_200000737386_100016995436 [0,1,0,0,0,1|2,0,0]=4 10306 B14R1.422 CC(C)CCCNCc1cnccn1 270004a_200000737386_100000749867 [0,1,0,0,0,1|2,0,0]=4 10307 B14R1.422 CC(C)CCCNCc1cnccn1 34a_200000737386_100016995436 [0,1,0,0,0,1|2,0,0]=4 10308 B14R1.422 CC(C)CCCNCc1ncccn1 2230a_200000737386_100000703007 [0,1,0,0,0,1|2,0,0]=4 10309 B14R1.422 CC(C)CCCNCc1ncccn1 270004a_200000737386_100011532527 [0,1,0,0,0,1|2,0,0]=4 10310 B14R1.422 CC(C)CCCNCc1ncccn1 34a_200000737386_100000703007 [0,1,0,0,0,1|2,0,0]=4 10311 B14R1.422 CC(C)CCCOCc1ccccc1 34a_100000210774_100015291786 [0,1,0,0,0,1|2,0,0]=4 10312 B14R1.422 CC(C)CCCOCc1ccccc1 34a_100000210790_100011214892 [0,1,0,0,0,1|2,0,0]=4 10313 B14R1.422 CC(C)CCCOCc1ccccc1 7a_100000210774_100000211182 [0,1,0,0,0,1|2,0,0]=4 10314 B14R1.422 CC(C)CCCOCc1ccccc1 7a_100000210790_100011214892 [0,1,0,0,0,1|2,0,0]=4 10315 B14R1.422 CC(C)CCCOCc1ccccn1 34a_100000210774_100000721315 [0,1,0,0,0,1|2,0,0]=4 10316 B14R1.422 CC(C)CCCOCc1ccccn1 7a_100000210774_100000721315 [0,1,0,0,0,1|2,0,0]=4 10317 B14R1.422 CC(C)CCCOCc1cccnc1 34a_100000210774_100000733263 [0,1,0,0,0,1|2,0,0]=4 10318 B14R1.422 CC(C)CCCOCc1cccnc1 7a_100000210774_100000741622 [0,1,0,0,0,1|2,0,0]=4 10319 B14R1.422 CC(C)CCCOCc1cccnn1 34a_100000210774_100016990269 [0,1,0,0,0,1|2,0,0]=4 10320 B14R1.422 CC(C)CCCOCc1cccnn1 7a_100000210774_100016990269 [0,1,0,0,0,1|2,0,0]=4 10321 B14R1.422 CC(C)CCCOCc1ccncc1 7a_100000210774_100015193705 [0,1,0,0,0,1|2,0,0]=4 10322 B14R1.422 CC(C)CCCOCc1cnccn1 34a_100000210774_100016995436 [0,1,0,0,0,1|2,0,0]=4 10323 B14R1.422 CC(C)CCCOCc1cnccn1 7a_100000210774_100016995436 [0,1,0,0,0,1|2,0,0]=4 10324 B14R1.422 CC(C)CCCOCc1ncccn1 34a_100000210774_100000703007 [0,1,0,0,0,1|2,0,0]=4 10325 B14R1.422 CC(C)CCCOCc1ncccn1 7a_100000210774_100000703007 [0,1,0,0,0,1|2,0,0]=4 10326 B14R1.422 CC(C)CCCSCc1ccccc1 62a_100000211182_100011214892 [0,1,0,0,0,1|2,0,0]=4 10327 B14R1.422 CC(C)CCCSCc1ccccc1 62a_100011214892_100015291786 [0,1,0,0,0,1|2,0,0]=4 10328 B14R1.422 CC(C)CCCSCc1ccccn1 62a_100000721315_100011214892 [0,1,0,0,0,1|2,0,0]=4 10329 B14R1.422 CC(C)CCCSCc1ccccn1 62a_100011214892_100000721315 [0,1,0,0,0,1|2,0,0]=4 10330 B14R1.422 CC(C)CCCSCc1cccnc1 62a_100000741622_100011214892 [0,1,0,0,0,1|2,0,0]=4 10331 B14R1.422 CC(C)CCCSCc1cccnc1 62a_100011214892_100000741622 [0,1,0,0,0,1|2,0,0]=4 10332 B14R1.422 CC(C)CCCSCc1cccnn1 62a_100011214892_100016990269 [0,1,0,0,0,1|2,0,0]=4 10333 B14R1.422 CC(C)CCCSCc1cccnn1 62a_100016990269_100011214892 [0,1,0,0,0,1|2,0,0]=4 10334 B14R1.422 CC(C)CCCSCc1ccncc1 62a_100011214892_100015193705 [0,1,0,0,0,1|2,0,0]=4 10335 B14R1.422 CC(C)CCCSCc1ccncc1 62a_100015193705_100011214892 [0,1,0,0,0,1|2,0,0]=4 10336 B14R1.422 CC(C)CCCSCc1cnccn1 62a_100011214892_100016995436 [0,1,0,0,0,1|2,0,0]=4 10337 B14R1.422 CC(C)CCCSCc1cnccn1 62a_100016995436_100011214892 [0,1,0,0,0,1|2,0,0]=4 10338 B14R1.422 CC(C)CCCSCc1ncccn1 62a_100000703007_100011214892 [0,1,0,0,0,1|2,0,0]=4 10339 B14R1.422 CC(C)CCCSCc1ncccn1 62a_100011214892_100000703007 [0,1,0,0,0,1|2,0,0]=4 10340 B14R1.422 CC(C)CCNCCc1ccccc1 2230a_100000106460_100000210312 [0,1,0,0,0,1|2,0,0]=4 10341 B14R1.422 CC(C)CCNCCc1ccccc1 269862a_100000106460_100000185833 [0,1,0,0,0,1|2,0,0]=4 10342 B14R1.422 CC(C)CCNCCc1ccccc1 34a_100000106460_100000210312 [0,1,0,0,0,1|2,0,0]=4 10343 B14R1.422 CC(C)CCNCCc1ccccn1 269862a_100000211156_100000185833 [0,1,0,0,0,1|2,0,0]=4 10344 B14R1.422 CC(C)CCNCCc1cccnc1 2230a_100000736294_100000210312 [0,1,0,0,0,1|2,0,0]=4 10345 B14R1.422 CC(C)CCNCCc1cccnc1 269862a_100000736294_100000185833 [0,1,0,0,0,1|2,0,0]=4 10346 B14R1.422 CC(C)CCNCCc1ccncc1 269862a_100000742849_100000185833 [0,1,0,0,0,1|2,0,0]=4 10347 B14R1.422 CC(C)CCNCCc1cnccn1 269862a_100000723456_100000185833 [0,1,0,0,0,1|2,0,0]=4 10348 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210254_100000765856 [0,1,0,0,0,1|2,0,0]=4 10349 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210268_100000210312 [0,1,0,0,0,1|2,0,0]=4 10350 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210254_100000765856 [0,1,0,0,0,1|2,0,0]=4 10351 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210268_100000210626 [0,1,0,0,0,1|2,0,0]=4 10352 B14R1.422 CC(C)CCOCCc1ccccn1 34a_100000210271_100000210312 [0,1,0,0,0,1|2,0,0]=4 10353 B14R1.422 CC(C)CCOCCc1ccccn1 7a_100000210254_100015183660 [0,1,0,0,0,1|2,0,0]=4 10354 B14R1.422 CC(C)CCOCCc1cccnc1 34a_100011217484_100000210312 [0,1,0,0,0,1|2,0,0]=4 10355 B14R1.422 CC(C)CCOCCc1cccnc1 7a_100000210254_200011713674 [0,1,0,0,0,1|2,0,0]=4 10356 B14R1.422 CC(C)CCOCCc1ccncc1 34a_100011216225_100000210312 [0,1,0,0,0,1|2,0,0]=4 10357 B14R1.422 CC(C)CCOCCc1ccncc1 7a_100000210254_100000723409 [0,1,0,0,0,1|2,0,0]=4 10358 B14R1.422 CC(C)CCOCCc1cnccn1 34a_100011349526_100000210312 [0,1,0,0,0,1|2,0,0]=4 10359 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000210312_100011218657 [0,1,0,0,0,1|2,0,0]=4 10360 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000765856_100000210312 [0,1,0,0,0,1|2,0,0]=4 10361 B14R1.422 CC(C)CCSCCc1ccccn1 62a_100000210312_100015183660 [0,1,0,0,0,1|2,0,0]=4 10362 B14R1.422 CC(C)CCSCCc1ccccn1 62a_100015183660_100000210312 [0,1,0,0,0,1|2,0,0]=4 10363 B14R1.422 CC(C)CCSCCc1cccnc1 62a_100000210312_200011713674 [0,1,0,0,0,1|2,0,0]=4 10364 B14R1.422 CC(C)CCSCCc1cccnc1 62a_200011713674_100000210312 [0,1,0,0,0,1|2,0,0]=4 10365 B14R1.422 CC(C)CCSCCc1ccncc1 62a_100000210312_100000723409 [0,1,0,0,0,1|2,0,0]=4 10366 B14R1.422 CC(C)CCSCCc1ccncc1 62a_100000723409_100000210312 [0,1,0,0,0,1|2,0,0]=4 10367 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000210953_100000211621 [0,1,0,0,0,1|2,0,0]=4 10368 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000211184_100000210760 [0,1,0,0,0,1|2,0,0]=4 10369 B14R1.422 CC(C)CNCCCc1ccccc1 270004a_100000211184_100000210432 [0,1,0,0,0,1|2,0,0]=4 10370 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000210953_100000211621 [0,1,0,0,0,1|2,0,0]=4 10371 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000211184_100000210624 [0,1,0,0,0,1|2,0,0]=4 10372 B14R1.422 CC(C)CNCCCc1ccccn1 270004a_100000689020_100000210432 [0,1,0,0,0,1|2,0,0]=4 10373 B14R1.422 CC(C)CNCCCc1cccnc1 2230a_100011532358_100000210760 [0,1,0,0,0,1|2,0,0]=4 10374 B14R1.422 CC(C)CNCCCc1cccnc1 270004a_100011532358_100000210432 [0,1,0,0,0,1|2,0,0]=4 10375 B14R1.422 CC(C)CNCCCc1cccnc1 34a_100011532358_100000210624 [0,1,0,0,0,1|2,0,0]=4 10376 B14R1.422 CC(C)CNCCCc1ccncc1 2230a_100011275580_100000210760 [0,1,0,0,0,1|2,0,0]=4 10377 B14R1.422 CC(C)CNCCCc1ccncc1 270004a_100011275580_100000210432 [0,1,0,0,0,1|2,0,0]=4 10378 B14R1.422 CC(C)COCCCC1=CCC=CC1 34a_100020667889_100000210624 [0,1,0,0,0,1|2,0,0]=4 10379 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210257_100000211621 [0,1,0,0,0,1|2,0,0]=4 10380 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210828_100000210624 [0,1,0,0,0,1|2,0,0]=4 10381 B14R1.422 CC(C)COCCCc1ccccc1 7a_100000210828_100000210760 [0,1,0,0,0,1|2,0,0]=4 10382 B14R1.422 CC(C)COCCCc1ccccn1 34a_100011215068_100000210624 [0,1,0,0,0,1|2,0,0]=4 10383 B14R1.422 CC(C)COCCCc1cccnc1 34a_100000211284_100000210624 [0,1,0,0,0,1|2,0,0]=4 10384 B14R1.422 CC(C)COCCCc1ccncc1 34a_100000210659_100000210624 [0,1,0,0,0,1|2,0,0]=4 10385 B14R1.422 CC(C)CSCCCc1ccccc1 62a_100000210624_100000211621 [0,1,0,0,0,1|2,0,0]=4 10386 B14R1.422 CC(C)CSCCCc1ccccc1 62a_100000211621_100000210760 [0,1,0,0,0,1|2,0,0]=4 10387 B14R1.422 CC(C)NCCCCc1ccccc1 2230a_100015280158_100000210206 [0,1,0,0,0,1|2,0,0]=4 10388 B14R1.422 CC(C)NCCCCc1ccccc1 2230a_100138425928_100000701786 [0,1,0,0,0,1|2,0,0]=4 10389 B14R1.422 CC(C)NCCCCc1ccccc1 34a_100015280158_100000210206 [0,1,0,0,0,1|2,0,0]=4 10390 B14R1.422 CC(C)NCCCCc1ccccc1 34a_100138425928_100000701786 [0,1,0,0,0,1|2,0,0]=4 10391 B14R1.422 CC(C)NCCCCc1ccncc1 2230a_100138425928_100020630000 [0,1,0,0,0,1|2,0,0]=4 10392 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000212225_100000701786 [0,1,0,0,0,1|2,0,0]=4 10393 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000703073_100000210206 [0,1,0,0,0,1|2,0,0]=4 10394 B14R1.422 CC(C)OCCCCc1ccccc1 7a_100000703073_100000210206 [0,1,0,0,0,1|2,0,0]=4 10395 B14R1.422 CC(C)OCCCCc1ccccn1 34a_100012186994_100000210206 [0,1,0,0,0,1|2,0,0]=4 10396 B14R1.422 CC(C)OCCCCc1cccnc1 34a_100012039607_100000210206 [0,1,0,0,0,1|2,0,0]=4 10397 B14R1.422 CC(C)OCCCCc1cccnc1 7a_100012039607_100000210206 [0,1,0,0,0,1|2,0,0]=4 10398 B14R1.422 CC(C)OCCCCc1ccncc1 34a_100011787716_100000210206 [0,1,0,0,0,1|2,0,0]=4 10399 B14R1.422 CC(C)SCCCCc1ccccc1 62a_100000210206_100000701786 [0,1,0,0,0,1|2,0,0]=4 10400 B14R1.422 CC(C)SCCCCc1ccccc1 62a_100000701786_100000210206 [0,1,0,0,0,1|2,0,0]=4 10401 B14R1.422 CC(C)SCCCCc1ccncc1 62a_100000210206_100020630000 [0,1,0,0,0,1|2,0,0]=4 10402 B14R1.422 CC(C)SCCCCc1ccncc1 62a_100020630000_100000210206 [0,1,0,0,0,1|2,0,0]=4 10403 B14R1.422 CC(F)COCCCc1ccccc1 34a_100015925927_100000211621 [0,1,0,0,0,1|2,0,0]=4 10404 B14R1.422 CC(O)CCCNCc1ccccc1 2230a_100015324214_200000718107 [0,1,0,0,0,1|2,0,0]=4 10405 B14R1.422 CC(O)CCCNCc1ccccc1 34a_100015324214_200000718107 [0,1,0,0,0,1|2,0,0]=4 10406 B14R1.422 CC(O)CCCNCc1cccnn1 2230a_100159270163_200000718107 [0,1,0,0,0,1|2,0,0]=4 10407 B14R1.422 CC(O)CCCOCc1ccccc1 34a_100000210790_200000718107 [0,1,0,0,0,1|2,0,0]=4 10408 B14R1.422 CC(O)CCCOCc1ccccc1 7a_100000210790_200000718107 [0,1,0,0,0,1|2,0,0]=4 10409 B14R1.422 CC(O)CCCSCc1ccccc1 62a_100000211182_200000718107 [0,1,0,0,0,1|2,0,0]=4 10410 B14R1.422 CC(O)CCCSCc1ccccc1 62a_200000718107_100015291786 [0,1,0,0,0,1|2,0,0]=4 10411 B14R1.422 CC(O)CCCSCc1ccccn1 62a_100000721315_200000718107 [0,1,0,0,0,1|2,0,0]=4 10412 B14R1.422 CC(O)CCCSCc1ccccn1 62a_200000718107_100000721315 [0,1,0,0,0,1|2,0,0]=4 10413 B14R1.422 CC(O)CCCSCc1cccnc1 62a_100000741622_200000718107 [0,1,0,0,0,1|2,0,0]=4 10414 B14R1.422 CC(O)CCCSCc1cccnc1 62a_200000718107_100000741622 [0,1,0,0,0,1|2,0,0]=4 10415 B14R1.422 CC(O)CCCSCc1cccnn1 62a_100016990269_200000718107 [0,1,0,0,0,1|2,0,0]=4 10416 B14R1.422 CC(O)CCCSCc1cccnn1 62a_200000718107_100016990269 [0,1,0,0,0,1|2,0,0]=4 10417 B14R1.422 CC(O)CCCSCc1ccncc1 62a_100015193705_200000718107 [0,1,0,0,0,1|2,0,0]=4 10418 B14R1.422 CC(O)CCCSCc1ccncc1 62a_200000718107_100015193705 [0,1,0,0,0,1|2,0,0]=4 10419 B14R1.422 CC(O)CCCSCc1cnccn1 62a_100016995436_200000718107 [0,1,0,0,0,1|2,0,0]=4 10420 B14R1.422 CC(O)CCCSCc1cnccn1 62a_200000718107_100016995436 [0,1,0,0,0,1|2,0,0]=4 10421 B14R1.422 CC(O)CCCSCc1ncccn1 62a_100000703007_200000718107 [0,1,0,0,0,1|2,0,0]=4 10422 B14R1.422 CC(O)CCCSCc1ncccn1 62a_200000718107_100000703007 [0,1,0,0,0,1|2,0,0]=4 10423 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_100000106460_100012276601 [0,1,0,0,0,1|2,0,0]=4 10424 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_200000755665_100000765856 [0,1,0,0,0,1|2,0,0]=4 10425 B14R1.422 CC(O)CCNCCc1ccccc1 34a_100000106460_100012276601 [0,1,0,0,0,1|2,0,0]=4 10426 B14R1.422 CC(O)CCNCCc1ccccn1 2230a_200000755665_100015183660 [0,1,0,0,0,1|2,0,0]=4 10427 B14R1.422 CC(O)CCNCCc1cccnc1 2230a_100000736294_100012276601 [0,1,0,0,0,1|2,0,0]=4 10428 B14R1.422 CC(O)CCNCCc1cccnc1 2230a_200000755665_200011713674 [0,1,0,0,0,1|2,0,0]=4 10429 B14R1.422 CC(O)CCNCCc1ccncc1 2230a_200000755665_100000723409 [0,1,0,0,0,1|2,0,0]=4 10430 B14R1.422 CC(O)CCOCCc1ccccc1 34a_100000210268_100012276601 [0,1,0,0,0,1|2,0,0]=4 10431 B14R1.422 CC(O)CCOCCc1ccccc1 7a_100000210268_100012276601 [0,1,0,0,0,1|2,0,0]=4 10432 B14R1.422 CC(O)CCOCCc1ccccn1 34a_100000210271_100012276601 [0,1,0,0,0,1|2,0,0]=4 10433 B14R1.422 CC(O)CCOCCc1cccnc1 34a_100011217484_100012276601 [0,1,0,0,0,1|2,0,0]=4 10434 B14R1.422 CC(O)CCOCCc1ccncc1 34a_100011216225_100012276601 [0,1,0,0,0,1|2,0,0]=4 10435 B14R1.422 CC(O)CCOCCc1cnccn1 34a_100011349526_100012276601 [0,1,0,0,0,1|2,0,0]=4 10436 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100000765856_100012276601 [0,1,0,0,0,1|2,0,0]=4 10437 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100012276601_100011218657 [0,1,0,0,0,1|2,0,0]=4 10438 B14R1.422 CC(O)CCSCCc1ccccn1 62a_100012276601_100015183660 [0,1,0,0,0,1|2,0,0]=4 10439 B14R1.422 CC(O)CCSCCc1ccccn1 62a_100015183660_100012276601 [0,1,0,0,0,1|2,0,0]=4 10440 B14R1.422 CC(O)CCSCCc1cccnc1 62a_100012276601_200011713674 [0,1,0,0,0,1|2,0,0]=4 10441 B14R1.422 CC(O)CCSCCc1cccnc1 62a_200011713674_100012276601 [0,1,0,0,0,1|2,0,0]=4 10442 B14R1.422 CC(O)CCSCCc1ccncc1 62a_100000723409_100012276601 [0,1,0,0,0,1|2,0,0]=4 10443 B14R1.422 CC(O)CCSCCc1ccncc1 62a_100012276601_100000723409 [0,1,0,0,0,1|2,0,0]=4 10444 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000210904_100000211621 [0,1,0,0,0,1|2,0,0]=4 10445 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000211184_100011218427 [0,1,0,0,0,1|2,0,0]=4 10446 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000210904_100000211621 [0,1,0,0,0,1|2,0,0]=4 10447 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000211184_100011218427 [0,1,0,0,0,1|2,0,0]=4 10448 B14R1.422 CC(O)CNCCCc1cccnc1 2230a_100011532358_100011218427 [0,1,0,0,0,1|2,0,0]=4 10449 B14R1.422 CC(O)CNCCCc1cccnc1 34a_100011532358_100011218427 [0,1,0,0,0,1|2,0,0]=4 10450 B14R1.422 CC(O)CNCCCc1ccncc1 2230a_100011275580_100011218427 [0,1,0,0,0,1|2,0,0]=4 10451 B14R1.422 CC(O)COCCCC1=CCC=CC1 34a_100020667889_100011218427 [0,1,0,0,0,1|2,0,0]=4 10452 B14R1.422 CC(O)COCCCc1ccccc1 34a_100000210828_100011218427 [0,1,0,0,0,1|2,0,0]=4 10453 B14R1.422 CC(O)COCCCc1ccccc1 7a_100000210828_100011218427 [0,1,0,0,0,1|2,0,0]=4 10454 B14R1.422 CC(O)COCCCc1ccccn1 34a_100011215068_100011218427 [0,1,0,0,0,1|2,0,0]=4 10455 B14R1.422 CC(O)COCCCc1cccnc1 34a_100000211284_100011218427 [0,1,0,0,0,1|2,0,0]=4 10456 B14R1.422 CC(O)COCCCc1ccncc1 34a_100000210659_100011218427 [0,1,0,0,0,1|2,0,0]=4 10457 B14R1.422 CC(O)CSCCCc1ccccc1 62a_100000211621_100011218427 [0,1,0,0,0,1|2,0,0]=4 10458 B14R1.422 CC(O)CSCCCc1ccccc1 62a_100011218427_100000211621 [0,1,0,0,0,1|2,0,0]=4 10459 B14R1.422 CN(C)CCCCCc1ccccc1 2230a_100102631434_200011217138 [0,1,0,0,0,1|2,0,0]=4 10460 B14R1.422 CN(C)CCCCCc1ccccc1 269982a_100102631434_200011217138 [0,1,0,0,0,1|2,0,0]=4 10461 B14R1.422 C[C@@H](Cl)COCCCc1ccccc1 34a_100016084084_100000211621 [0,1,0,0,0,1|2,0,0]=4 10462 B14R1.422 C[C@@H](N)CCOCCc1ccccc1 34a_100000706166_100000765856 [0,1,0,0,0,1|2,0,0]=4 10463 B14R1.422 C[C@@H](N)COCCCc1ccccc1 34a_100000737577_100000211621 [0,1,0,0,0,1|2,0,0]=4 10464 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 2230a_100000211184_100009817552 [0,1,0,0,0,1|2,0,0]=4 10465 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 34a_100000211184_100009817552 [0,1,0,0,0,1|2,0,0]=4 10466 B14R1.422 C[C@@H](O)CNCCCc1cccnc1 2230a_100011532358_100009817552 [0,1,0,0,0,1|2,0,0]=4 10467 B14R1.422 C[C@@H](O)CNCCCc1cccnc1 34a_100011532358_100009817552 [0,1,0,0,0,1|2,0,0]=4 10468 B14R1.422 C[C@@H](O)CNCCCc1ccncc1 2230a_100011275580_100009817552 [0,1,0,0,0,1|2,0,0]=4 10469 B14R1.422 C[C@@H](O)COCCCC1=CCC=CC1 34a_100020667889_100009817552 [0,1,0,0,0,1|2,0,0]=4 10470 B14R1.422 C[C@@H](O)COCCCc1ccccc1 34a_100000210828_100009817552 [0,1,0,0,0,1|2,0,0]=4 10471 B14R1.422 C[C@@H](O)COCCCc1ccccc1 7a_100000210828_100009817552 [0,1,0,0,0,1|2,0,0]=4 10472 B14R1.422 C[C@@H](O)COCCCc1ccccn1 34a_100011215068_100009817552 [0,1,0,0,0,1|2,0,0]=4 10473 B14R1.422 C[C@@H](O)COCCCc1cccnc1 34a_100000211284_100009817552 [0,1,0,0,0,1|2,0,0]=4 10474 B14R1.422 C[C@@H](O)COCCCc1ccncc1 34a_100000210659_100009817552 [0,1,0,0,0,1|2,0,0]=4 10475 B14R1.422 C[C@@H](O)CSCCCc1ccccc1 62a_100000211621_100009817552 [0,1,0,0,0,1|2,0,0]=4 10476 B14R1.422 C[C@@H](O)CSCCCc1ccccc1 62a_100009817552_100000211621 [0,1,0,0,0,1|2,0,0]=4 10477 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [0,1,0,0,0,1|1,0,1]=4 10478 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,1,0,0,0,1|1,0,1]=4 10479 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,1,0,0,0,1|1,0,1]=4 10480 B14R1.520 CCCC(=O)CCCc1ccccn1 1458a_100000752327_100000210303 [0,1,0,0,0,1|1,0,1]=4 10481 B14R1.520 CCCC(=O)CCCc1ccncc1 1458a_100020654287_100000210303 [0,1,0,0,0,1|1,0,1]=4 10482 B14R1.520 CCCC(C)CNCc1ccccc1 2230a_100015324214_100011216630 [0,1,0,0,0,1|2,0,0]=4 10483 B14R1.520 CCCC(C)CNCc1ccccc1 270004a_100015324214_100000243154 [0,1,0,0,0,1|2,0,0]=4 10484 B14R1.520 CCCC(C)CNCc1ccccc1 34a_100015324214_100011216630 [0,1,0,0,0,1|2,0,0]=4 10485 B14R1.520 CCCC(C)CNCc1ccccn1 270004a_100000210449_100000243154 [0,1,0,0,0,1|2,0,0]=4 10486 B14R1.520 CCCC(C)CNCc1cccnc1 270004a_100000210453_100000243154 [0,1,0,0,0,1|2,0,0]=4 10487 B14R1.520 CCCC(C)CNCc1cccnn1 2230a_100159270163_100011216630 [0,1,0,0,0,1|2,0,0]=4 10488 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000210790_100011216630 [0,1,0,0,0,1|2,0,0]=4 10489 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000688023_100015291786 [0,1,0,0,0,1|2,0,0]=4 10490 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000210790_100011216630 [0,1,0,0,0,1|2,0,0]=4 10491 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000688023_100000211182 [0,1,0,0,0,1|2,0,0]=4 10492 B14R1.520 CCCC(C)COCc1ccccn1 34a_100000688023_100000721315 [0,1,0,0,0,1|2,0,0]=4 10493 B14R1.520 CCCC(C)COCc1ccccn1 7a_100000688023_100000721315 [0,1,0,0,0,1|2,0,0]=4 10494 B14R1.520 CCCC(C)COCc1cccnc1 34a_100000688023_100000733263 [0,1,0,0,0,1|2,0,0]=4 10495 B14R1.520 CCCC(C)COCc1cccnc1 7a_100000688023_100000741622 [0,1,0,0,0,1|2,0,0]=4 10496 B14R1.520 CCCC(C)COCc1cccnn1 34a_100000688023_100016990269 [0,1,0,0,0,1|2,0,0]=4 10497 B14R1.520 CCCC(C)COCc1cccnn1 7a_100000688023_100016990269 [0,1,0,0,0,1|2,0,0]=4 10498 B14R1.520 CCCC(C)COCc1ccncc1 7a_100000688023_100015193705 [0,1,0,0,0,1|2,0,0]=4 10499 B14R1.520 CCCC(C)COCc1cnccn1 34a_100000688023_100016995436 [0,1,0,0,0,1|2,0,0]=4 10500 B14R1.520 CCCC(C)COCc1cnccn1 7a_100000688023_100016995436 [0,1,0,0,0,1|2,0,0]=4 10501 B14R1.520 CCCC(C)COCc1ncccn1 34a_100000688023_100000703007 [0,1,0,0,0,1|2,0,0]=4 10502 B14R1.520 CCCC(C)COCc1ncccn1 7a_100000688023_100000703007 [0,1,0,0,0,1|2,0,0]=4 10503 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100000211182_100011216630 [0,1,0,0,0,1|2,0,0]=4 10504 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100011216630_100015291786 [0,1,0,0,0,1|2,0,0]=4 10505 B14R1.520 CCCC(C)CSCc1ccccn1 62a_100000721315_100011216630 [0,1,0,0,0,1|2,0,0]=4 10506 B14R1.520 CCCC(C)CSCc1ccccn1 62a_100011216630_100000721315 [0,1,0,0,0,1|2,0,0]=4 10507 B14R1.520 CCCC(C)CSCc1cccnc1 62a_100000741622_100011216630 [0,1,0,0,0,1|2,0,0]=4 10508 B14R1.520 CCCC(C)CSCc1cccnc1 62a_100011216630_100000741622 [0,1,0,0,0,1|2,0,0]=4 10509 B14R1.520 CCCC(C)CSCc1cccnn1 62a_100011216630_100016990269 [0,1,0,0,0,1|2,0,0]=4 10510 B14R1.520 CCCC(C)CSCc1cccnn1 62a_100016990269_100011216630 [0,1,0,0,0,1|2,0,0]=4 10511 B14R1.520 CCCC(C)CSCc1ccncc1 62a_100011216630_100015193705 [0,1,0,0,0,1|2,0,0]=4 10512 B14R1.520 CCCC(C)CSCc1ccncc1 62a_100015193705_100011216630 [0,1,0,0,0,1|2,0,0]=4 10513 B14R1.520 CCCC(C)CSCc1cnccn1 62a_100011216630_100016995436 [0,1,0,0,0,1|2,0,0]=4 10514 B14R1.520 CCCC(C)CSCc1cnccn1 62a_100016995436_100011216630 [0,1,0,0,0,1|2,0,0]=4 10515 B14R1.520 CCCC(C)CSCc1ncccn1 62a_100000703007_100011216630 [0,1,0,0,0,1|2,0,0]=4 10516 B14R1.520 CCCC(C)CSCc1ncccn1 62a_100011216630_100000703007 [0,1,0,0,0,1|2,0,0]=4 10517 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000106460_100000766640 [0,1,0,0,0,1|2,0,0]=4 10518 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000741246_100000765856 [0,1,0,0,0,1|2,0,0]=4 10519 B14R1.520 CCCC(C)NCCc1ccccc1 270004a_100000106460_100000211909 [0,1,0,0,0,1|2,0,0]=4 10520 B14R1.520 CCCC(C)NCCc1ccccc1 34a_100000106460_100000766640 [0,1,0,0,0,1|2,0,0]=4 10521 B14R1.520 CCCC(C)NCCc1ccccn1 2230a_100000741246_100015183660 [0,1,0,0,0,1|2,0,0]=4 10522 B14R1.520 CCCC(C)NCCc1ccccn1 270004a_100000211156_100000211909 [0,1,0,0,0,1|2,0,0]=4 10523 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000736294_100000766640 [0,1,0,0,0,1|2,0,0]=4 10524 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000741246_200011713674 [0,1,0,0,0,1|2,0,0]=4 10525 B14R1.520 CCCC(C)NCCc1cccnc1 270004a_100000736294_100000211909 [0,1,0,0,0,1|2,0,0]=4 10526 B14R1.520 CCCC(C)NCCc1ccncc1 2230a_100000741246_100000723409 [0,1,0,0,0,1|2,0,0]=4 10527 B14R1.520 CCCC(C)NCCc1ccncc1 270004a_100000742849_100000211909 [0,1,0,0,0,1|2,0,0]=4 10528 B14R1.520 CCCC(C)NCCc1cnccn1 270004a_100000723456_100000211909 [0,1,0,0,0,1|2,0,0]=4 10529 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000210268_100000766640 [0,1,0,0,0,1|2,0,0]=4 10530 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000764384_100000765856 [0,1,0,0,0,1|2,0,0]=4 10531 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000210268_100000766640 [0,1,0,0,0,1|2,0,0]=4 10532 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000764384_100000765856 [0,1,0,0,0,1|2,0,0]=4 10533 B14R1.520 CCCC(C)OCCc1ccccn1 34a_100000210271_100000766640 [0,1,0,0,0,1|2,0,0]=4 10534 B14R1.520 CCCC(C)OCCc1ccccn1 7a_100000764384_100015183660 [0,1,0,0,0,1|2,0,0]=4 10535 B14R1.520 CCCC(C)OCCc1cccnc1 34a_100011217484_100000766640 [0,1,0,0,0,1|2,0,0]=4 10536 B14R1.520 CCCC(C)OCCc1cccnc1 7a_100000764384_200011713674 [0,1,0,0,0,1|2,0,0]=4 10537 B14R1.520 CCCC(C)OCCc1ccncc1 34a_100011216225_100000766640 [0,1,0,0,0,1|2,0,0]=4 10538 B14R1.520 CCCC(C)OCCc1ccncc1 7a_100000764384_100000723409 [0,1,0,0,0,1|2,0,0]=4 10539 B14R1.520 CCCC(C)OCCc1cnccn1 34a_100011349526_100000766640 [0,1,0,0,0,1|2,0,0]=4 10540 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000765856_100000766640 [0,1,0,0,0,1|2,0,0]=4 10541 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000766640_100011218657 [0,1,0,0,0,1|2,0,0]=4 10542 B14R1.520 CCCC(C)SCCc1ccccn1 62a_100000766640_100015183660 [0,1,0,0,0,1|2,0,0]=4 10543 B14R1.520 CCCC(C)SCCc1ccccn1 62a_100015183660_100000766640 [0,1,0,0,0,1|2,0,0]=4 10544 B14R1.520 CCCC(C)SCCc1cccnc1 62a_100000766640_200011713674 [0,1,0,0,0,1|2,0,0]=4 10545 B14R1.520 CCCC(C)SCCc1cccnc1 62a_200011713674_100000766640 [0,1,0,0,0,1|2,0,0]=4 10546 B14R1.520 CCCC(C)SCCc1ccncc1 62a_100000723409_100000766640 [0,1,0,0,0,1|2,0,0]=4 10547 B14R1.520 CCCC(C)SCCc1ccncc1 62a_100000766640_100000723409 [0,1,0,0,0,1|2,0,0]=4 10548 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000693637_100000210303 [0,1,0,0,0,1|2,0,0]=4 10549 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000747261_100000211621 [0,1,0,0,0,1|2,0,0]=4 10550 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000693637_100000210303 [0,1,0,0,0,1|2,0,0]=4 10551 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000747261_100000211621 [0,1,0,0,0,1|2,0,0]=4 10552 B14R1.520 CCC[C@H](N)COCc1ccccc1 34a_100000732646_100015291786 [0,1,0,0,0,1|2,0,0]=4 10553 B14R1.520 CCC[C@H](N)COCc1ccccn1 34a_100000732646_100000721315 [0,1,0,0,0,1|2,0,0]=4 10554 B14R1.520 CCC[C@H](N)COCc1cccnc1 34a_100000732646_100000733263 [0,1,0,0,0,1|2,0,0]=4 10555 B14R1.520 CCC[C@H](N)COCc1cccnn1 34a_100000732646_100016990269 [0,1,0,0,0,1|2,0,0]=4 10556 B14R1.520 CCC[C@H](N)COCc1cnccn1 34a_100000732646_100016995436 [0,1,0,0,0,1|2,0,0]=4 10557 B14R1.520 CCC[C@H](N)COCc1ncccn1 34a_100000732646_100000703007 [0,1,0,0,0,1|2,0,0]=4 10558 B14R1.520 CCNC(C)CCCc1ccccc1 2230a_100015525214_200010759516 [0,1,0,0,0,1|2,0,0]=4 10559 B14R1.520 CCOC(C)CCCc1ccccc1 34a_100121572206_200010759516 [0,1,0,0,0,1|2,0,0]=4 10560 B14R1.520 CCSC(C)CCCc1ccccc1 62a_100000210202_200010759516 [0,1,0,0,0,1|2,0,0]=4 10561 B14R1.520 CCSC(C)CCCc1ccccc1 62a_200010759516_100000210202 [0,1,0,0,0,1|2,0,0]=4 10562 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,1,0,0,0,1|1,0,1]=4 10563 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,1,0,0,0,1|1,0,1]=4 10564 B14R1.716 CCC(=O)CCCCc1ccncc1 1458a_100000210414_100020630000 [0,1,0,0,0,1|1,0,1]=4 10565 B14R1.716 CCC(C)CCNCc1ccccc1 207a_100020591266_100015611070 [0,1,0,0,0,1|2,0,0]=4 10566 B14R1.716 CCC(C)CCNCc1ccccc1 2230a_100020591266_100015291786 [0,1,0,0,0,1|2,0,0]=4 10567 B14R1.716 CCC(C)CCNCc1ccccc1 270004a_100020591266_100015611070 [0,1,0,0,0,1|2,0,0]=4 10568 B14R1.716 CCC(C)CCNCc1ccccn1 207a_100020591266_100000209966 [0,1,0,0,0,1|2,0,0]=4 10569 B14R1.716 CCC(C)CCNCc1ccccn1 2230a_100020591266_100000721315 [0,1,0,0,0,1|2,0,0]=4 10570 B14R1.716 CCC(C)CCNCc1ccccn1 270004a_100020591266_100000209966 [0,1,0,0,0,1|2,0,0]=4 10571 B14R1.716 CCC(C)CCNCc1cccnc1 207a_100020591266_100000209961 [0,1,0,0,0,1|2,0,0]=4 10572 B14R1.716 CCC(C)CCNCc1cccnc1 2230a_100020591266_100000741622 [0,1,0,0,0,1|2,0,0]=4 10573 B14R1.716 CCC(C)CCNCc1cccnc1 270004a_100020591266_100000209961 [0,1,0,0,0,1|2,0,0]=4 10574 B14R1.716 CCC(C)CCNCc1cccnn1 2230a_100020591266_100016990269 [0,1,0,0,0,1|2,0,0]=4 10575 B14R1.716 CCC(C)CCNCc1ccncc1 207a_100020591266_100000186114 [0,1,0,0,0,1|2,0,0]=4 10576 B14R1.716 CCC(C)CCNCc1ccncc1 2230a_100020591266_100015193705 [0,1,0,0,0,1|2,0,0]=4 10577 B14R1.716 CCC(C)CCNCc1cnccn1 2230a_100020591266_100016995436 [0,1,0,0,0,1|2,0,0]=4 10578 B14R1.716 CCC(C)CCNCc1cnccn1 270004a_100020591266_100000749867 [0,1,0,0,0,1|2,0,0]=4 10579 B14R1.716 CCC(C)CCNCc1ncccn1 2230a_100020591266_100000703007 [0,1,0,0,0,1|2,0,0]=4 10580 B14R1.716 CCC(C)CCNCc1ncccn1 270004a_100020591266_100011532527 [0,1,0,0,0,1|2,0,0]=4 10581 B14R1.716 CCC(C)CCOCc1ccccc1 7a_100011215188_100000211182 [0,1,0,0,0,1|2,0,0]=4 10582 B14R1.716 CCC(C)CCOCc1ccccn1 7a_100011215188_100000721315 [0,1,0,0,0,1|2,0,0]=4 10583 B14R1.716 CCC(C)CCOCc1cccnc1 7a_100011215188_100000741622 [0,1,0,0,0,1|2,0,0]=4 10584 B14R1.716 CCC(C)CCOCc1cccnn1 7a_100011215188_100016990269 [0,1,0,0,0,1|2,0,0]=4 10585 B14R1.716 CCC(C)CCOCc1ccncc1 7a_100011215188_100015193705 [0,1,0,0,0,1|2,0,0]=4 10586 B14R1.716 CCC(C)CCOCc1cnccn1 7a_100011215188_100016995436 [0,1,0,0,0,1|2,0,0]=4 10587 B14R1.716 CCC(C)CCOCc1ncccn1 7a_100011215188_100000703007 [0,1,0,0,0,1|2,0,0]=4 10588 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100000106460_100000748023 [0,1,0,0,0,1|2,0,0]=4 10589 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100020588543_100000765856 [0,1,0,0,0,1|2,0,0]=4 10590 B14R1.716 CCC(C)CNCCc1ccccc1 270004a_100000106460_100000243153 [0,1,0,0,0,1|2,0,0]=4 10591 B14R1.716 CCC(C)CNCCc1ccccc1 34a_100000106460_100000748023 [0,1,0,0,0,1|2,0,0]=4 10592 B14R1.716 CCC(C)CNCCc1ccccn1 2230a_100020588543_100015183660 [0,1,0,0,0,1|2,0,0]=4 10593 B14R1.716 CCC(C)CNCCc1ccccn1 270004a_100000211156_100000243153 [0,1,0,0,0,1|2,0,0]=4 10594 B14R1.716 CCC(C)CNCCc1cccnc1 2230a_100000736294_100000748023 [0,1,0,0,0,1|2,0,0]=4 10595 B14R1.716 CCC(C)CNCCc1cccnc1 2230a_100020588543_200011713674 [0,1,0,0,0,1|2,0,0]=4 10596 B14R1.716 CCC(C)CNCCc1cccnc1 270004a_100000736294_100000243153 [0,1,0,0,0,1|2,0,0]=4 10597 B14R1.716 CCC(C)CNCCc1ccncc1 2230a_100020588543_100000723409 [0,1,0,0,0,1|2,0,0]=4 10598 B14R1.716 CCC(C)CNCCc1ccncc1 270004a_100000742849_100000243153 [0,1,0,0,0,1|2,0,0]=4 10599 B14R1.716 CCC(C)CNCCc1cnccn1 270004a_100000723456_100000243153 [0,1,0,0,0,1|2,0,0]=4 10600 B14R1.716 CCC(C)COCCc1ccccc1 34a_100000210268_100000748023 [0,1,0,0,0,1|2,0,0]=4 10601 B14R1.716 CCC(C)COCCc1ccccc1 7a_100000210268_100000748023 [0,1,0,0,0,1|2,0,0]=4 10602 B14R1.716 CCC(C)COCCc1ccccn1 34a_100000210271_100000748023 [0,1,0,0,0,1|2,0,0]=4 10603 B14R1.716 CCC(C)COCCc1cccnc1 34a_100011217484_100000748023 [0,1,0,0,0,1|2,0,0]=4 10604 B14R1.716 CCC(C)COCCc1ccncc1 34a_100011216225_100000748023 [0,1,0,0,0,1|2,0,0]=4 10605 B14R1.716 CCC(C)COCCc1cnccn1 34a_100011349526_100000748023 [0,1,0,0,0,1|2,0,0]=4 10606 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000748023_100011218657 [0,1,0,0,0,1|2,0,0]=4 10607 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000765856_100000748023 [0,1,0,0,0,1|2,0,0]=4 10608 B14R1.716 CCC(C)CSCCc1ccccn1 62a_100000748023_100015183660 [0,1,0,0,0,1|2,0,0]=4 10609 B14R1.716 CCC(C)CSCCc1ccccn1 62a_100015183660_100000748023 [0,1,0,0,0,1|2,0,0]=4 10610 B14R1.716 CCC(C)CSCCc1cccnc1 62a_100000748023_200011713674 [0,1,0,0,0,1|2,0,0]=4 10611 B14R1.716 CCC(C)CSCCc1cccnc1 62a_200011713674_100000748023 [0,1,0,0,0,1|2,0,0]=4 10612 B14R1.716 CCC(C)CSCCc1ccncc1 62a_100000723409_100000748023 [0,1,0,0,0,1|2,0,0]=4 10613 B14R1.716 CCC(C)CSCCc1ccncc1 62a_100000748023_100000723409 [0,1,0,0,0,1|2,0,0]=4 10614 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000209981_100000211621 [0,1,0,0,0,1|2,0,0]=4 10615 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000211184_100000758301 [0,1,0,0,0,1|2,0,0]=4 10616 B14R1.716 CCC(C)NCCCc1ccccc1 34a_100000211184_100011215416 [0,1,0,0,0,1|2,0,0]=4 10617 B14R1.716 CCC(C)NCCCc1cccnc1 2230a_100011532358_100000758301 [0,1,0,0,0,1|2,0,0]=4 10618 B14R1.716 CCC(C)NCCCc1cccnc1 34a_100011532358_100011215416 [0,1,0,0,0,1|2,0,0]=4 10619 B14R1.716 CCC(C)NCCCc1ccncc1 2230a_100011275580_100000758301 [0,1,0,0,0,1|2,0,0]=4 10620 B14R1.716 CCC(C)OCCCC1=CCC=CC1 34a_100020667889_100011215416 [0,1,0,0,0,1|2,0,0]=4 10621 B14R1.716 CCC(C)OCCCc1ccccc1 34a_100000210828_100011215416 [0,1,0,0,0,1|2,0,0]=4 10622 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210228_100000211621 [0,1,0,0,0,1|2,0,0]=4 10623 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210828_100000758301 [0,1,0,0,0,1|2,0,0]=4 10624 B14R1.716 CCC(C)OCCCc1ccccn1 34a_100011215068_100011215416 [0,1,0,0,0,1|2,0,0]=4 10625 B14R1.716 CCC(C)OCCCc1cccnc1 34a_100000211284_100011215416 [0,1,0,0,0,1|2,0,0]=4 10626 B14R1.716 CCC(C)OCCCc1ccncc1 34a_100000210659_100011215416 [0,1,0,0,0,1|2,0,0]=4 10627 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000211621_100000758301 [0,1,0,0,0,1|2,0,0]=4 10628 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000758301_100000211621 [0,1,0,0,0,1|2,0,0]=4 10629 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100000106460_100011218378 [0,1,0,0,0,1|2,0,0]=4 10630 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100011218483_100000765856 [0,1,0,0,0,1|2,0,0]=4 10631 B14R1.716 CCC(O)CNCCc1ccccc1 34a_100000106460_100011218378 [0,1,0,0,0,1|2,0,0]=4 10632 B14R1.716 CCC(O)CNCCc1ccccn1 2230a_100011218483_100015183660 [0,1,0,0,0,1|2,0,0]=4 10633 B14R1.716 CCC(O)CNCCc1cccnc1 2230a_100000736294_100011218378 [0,1,0,0,0,1|2,0,0]=4 10634 B14R1.716 CCC(O)CNCCc1cccnc1 2230a_100011218483_200011713674 [0,1,0,0,0,1|2,0,0]=4 10635 B14R1.716 CCC(O)CNCCc1ccncc1 2230a_100011218483_100000723409 [0,1,0,0,0,1|2,0,0]=4 10636 B14R1.716 CCC(O)COCCc1ccccc1 34a_100000210268_100011218378 [0,1,0,0,0,1|2,0,0]=4 10637 B14R1.716 CCC(O)COCCc1ccccc1 7a_100000210268_100011218378 [0,1,0,0,0,1|2,0,0]=4 10638 B14R1.716 CCC(O)COCCc1ccccn1 34a_100000210271_100011218378 [0,1,0,0,0,1|2,0,0]=4 10639 B14R1.716 CCC(O)COCCc1cccnc1 34a_100011217484_100011218378 [0,1,0,0,0,1|2,0,0]=4 10640 B14R1.716 CCC(O)COCCc1ccncc1 34a_100011216225_100011218378 [0,1,0,0,0,1|2,0,0]=4 10641 B14R1.716 CCC(O)COCCc1cnccn1 34a_100011349526_100011218378 [0,1,0,0,0,1|2,0,0]=4 10642 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100000765856_100011218378 [0,1,0,0,0,1|2,0,0]=4 10643 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100011218378_100011218657 [0,1,0,0,0,1|2,0,0]=4 10644 B14R1.716 CCC(O)CSCCc1ccccn1 62a_100011218378_100015183660 [0,1,0,0,0,1|2,0,0]=4 10645 B14R1.716 CCC(O)CSCCc1ccccn1 62a_100015183660_100011218378 [0,1,0,0,0,1|2,0,0]=4 10646 B14R1.716 CCC(O)CSCCc1cccnc1 62a_100011218378_200011713674 [0,1,0,0,0,1|2,0,0]=4 10647 B14R1.716 CCC(O)CSCCc1cccnc1 62a_200011713674_100011218378 [0,1,0,0,0,1|2,0,0]=4 10648 B14R1.716 CCC(O)CSCCc1ccncc1 62a_100000723409_100011218378 [0,1,0,0,0,1|2,0,0]=4 10649 B14R1.716 CCC(O)CSCCc1ccncc1 62a_100011218378_100000723409 [0,1,0,0,0,1|2,0,0]=4 10650 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000225621_100000701786 [0,1,0,0,0,1|2,0,0]=4 10651 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000741445_100000210202 [0,1,0,0,0,1|2,0,0]=4 10652 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000225621_100000701786 [0,1,0,0,0,1|2,0,0]=4 10653 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000741445_100000204670 [0,1,0,0,0,1|2,0,0]=4 10654 B14R1.716 CCN(C)CCCCc1ccccc1 34a_100000741445_100000210202 [0,1,0,0,0,1|2,0,0]=4 10655 B14R1.716 CCN(C)CCCCc1ccncc1 2230a_100000225621_100020630000 [0,1,0,0,0,1|2,0,0]=4 10656 B14R1.716 CCN(C)CCCCc1ccncc1 269982a_100000225621_100020630000 [0,1,0,0,0,1|2,0,0]=4 10657 B14R1.716 CC[C@H](C)CNCCc1ccccc1 2230a_100000106460_100009816398 [0,1,0,0,0,1|2,0,0]=4 10658 B14R1.716 CC[C@H](C)CNCCc1ccccc1 34a_100000106460_100009816398 [0,1,0,0,0,1|2,0,0]=4 10659 B14R1.716 CC[C@H](C)CNCCc1cccnc1 2230a_100000736294_100009816398 [0,1,0,0,0,1|2,0,0]=4 10660 B14R1.716 CC[C@H](C)COCCc1ccccc1 34a_100000210268_100009816398 [0,1,0,0,0,1|2,0,0]=4 10661 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100000210268_100009816398 [0,1,0,0,0,1|2,0,0]=4 10662 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100009816381_100000765856 [0,1,0,0,0,1|2,0,0]=4 10663 B14R1.716 CC[C@H](C)COCCc1ccccn1 34a_100000210271_100009816398 [0,1,0,0,0,1|2,0,0]=4 10664 B14R1.716 CC[C@H](C)COCCc1ccccn1 7a_100009816381_100015183660 [0,1,0,0,0,1|2,0,0]=4 10665 B14R1.716 CC[C@H](C)COCCc1cccnc1 34a_100011217484_100009816398 [0,1,0,0,0,1|2,0,0]=4 10666 B14R1.716 CC[C@H](C)COCCc1cccnc1 7a_100009816381_200011713674 [0,1,0,0,0,1|2,0,0]=4 10667 B14R1.716 CC[C@H](C)COCCc1ccncc1 34a_100011216225_100009816398 [0,1,0,0,0,1|2,0,0]=4 10668 B14R1.716 CC[C@H](C)COCCc1ccncc1 7a_100009816381_100000723409 [0,1,0,0,0,1|2,0,0]=4 10669 B14R1.716 CC[C@H](C)COCCc1cnccn1 34a_100011349526_100009816398 [0,1,0,0,0,1|2,0,0]=4 10670 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100000765856_100009816398 [0,1,0,0,0,1|2,0,0]=4 10671 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100009816398_100011218657 [0,1,0,0,0,1|2,0,0]=4 10672 B14R1.716 CC[C@H](C)CSCCc1ccccn1 62a_100009816398_100015183660 [0,1,0,0,0,1|2,0,0]=4 10673 B14R1.716 CC[C@H](C)CSCCc1ccccn1 62a_100015183660_100009816398 [0,1,0,0,0,1|2,0,0]=4 10674 B14R1.716 CC[C@H](C)CSCCc1cccnc1 62a_100009816398_200011713674 [0,1,0,0,0,1|2,0,0]=4 10675 B14R1.716 CC[C@H](C)CSCCc1cccnc1 62a_200011713674_100009816398 [0,1,0,0,0,1|2,0,0]=4 10676 B14R1.716 CC[C@H](C)CSCCc1ccncc1 62a_100000723409_100009816398 [0,1,0,0,0,1|2,0,0]=4 10677 B14R1.716 CC[C@H](C)CSCCc1ccncc1 62a_100009816398_100000723409 [0,1,0,0,0,1|2,0,0]=4 10678 B14R1.716 CNC(C)CCCCc1ccccc1 270004a_106832991635_200011485782 [0,1,0,0,0,1|2,0,0]=4 10679 B14R1.882 CCCCCCCc1ncncc1O 271570a_203496583355_200010208268 [0,1,0,0,0,1|1,0,0]=3 10680 B14R1.882 CCCCCCNc1ccccc1Br 34a_100000210017_100000210314 [0,1,0,0,0,1|2,0,0]=4 10681 B14R1.882 CCCCCCNc1ccccc1C 34a_100015192222_100000210314 [0,1,0,0,0,1|2,0,0]=4 10682 B14R1.882 CCCCCCNc1ccccc1Cl 34a_100000185783_100000210314 [0,1,0,0,0,1|2,0,0]=4 10683 B14R1.882 CCCCCCNc1ccccc1F 34a_100000210422_100000210314 [0,1,0,0,0,1|2,0,0]=4 10684 B14R1.882 CCCCCCNc1ccccc1I 34a_100000210053_100000210314 [0,1,0,0,0,1|2,0,0]=4 10685 B14R1.882 CCCCCCNc1ccccc1O 34a_100000185747_100000210314 [0,1,0,0,0,1|2,0,0]=4 10686 B14R1.882 CCCCCCNc1ccncc1Br 27a_100000210581_100000726257 [0,1,0,0,0,1|2,0,0]=4 10687 B14R1.882 CCCCCCNc1ccncc1C 27a_100000210581_100000765111 [0,1,0,0,0,1|2,0,0]=4 10688 B14R1.882 CCCCCCNc1ccncc1F 27a_100000210581_100000035921 [0,1,0,0,0,1|2,0,0]=4 10689 B14R1.882 CCCCCCNc1ncccc1Br 27a_100000210581_100000696092 [0,1,0,0,0,1|2,0,0]=4 10690 B14R1.882 CCCCCCNc1nccnc1C 27a_100000210581_100011999405 [0,1,0,0,0,1|2,0,0]=4 10691 B14R1.882 CCCCCCNc1nccnc1F 27a_100000210581_200010125657 [0,1,0,0,0,1|2,0,0]=4 10692 B14R1.882 CCCCCCNc1ncncc1C 27a_100000210581_100011998708 [0,1,0,0,0,1|2,0,0]=4 10693 B14R1.882 CCCCCCNc1ncncc1F 27a_100000210581_100000069762 [0,1,0,0,0,1|2,0,0]=4 10694 B14R1.882 CCCCCCNc1ncncc1N 27a_100000210581_100000709731 [0,1,0,0,0,1|2,0,0]=4 10695 B14R1.882 CCCCCCNc1nnccc1C 27a_100000210581_100000089043 [0,1,0,0,0,1|2,0,0]=4 10696 B14R1.882 CCCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210314 [0,1,0,0,0,1|2,0,0]=4 10697 B14R1.882 CCCCCCOc1ccccc1Br 34a_100000181306_100000210314 [0,1,0,0,0,1|2,0,0]=4 10698 B14R1.882 CCCCCCOc1ccccc1Br 7a_100000181306_100000210314 [0,1,0,0,0,1|2,0,0]=4 10699 B14R1.882 CCCCCCOc1ccccc1C 34a_100000210338_100000210314 [0,1,0,0,0,1|2,0,0]=4 10700 B14R1.882 CCCCCCOc1ccccc1C 7a_100000210338_100000210314 [0,1,0,0,0,1|2,0,0]=4 10701 B14R1.882 CCCCCCOc1ccccc1Cl 34a_100000210172_100000210314 [0,1,0,0,0,1|2,0,0]=4 10702 B14R1.882 CCCCCCOc1ccccc1Cl 7a_100000210172_100000210314 [0,1,0,0,0,1|2,0,0]=4 10703 B14R1.882 CCCCCCOc1ccccc1F 34a_100000210171_100000210314 [0,1,0,0,0,1|2,0,0]=4 10704 B14R1.882 CCCCCCOc1ccccc1F 7a_100000210171_100000210314 [0,1,0,0,0,1|2,0,0]=4 10705 B14R1.882 CCCCCCOc1ccccc1I 34a_100000739446_100000210314 [0,1,0,0,0,1|2,0,0]=4 10706 B14R1.882 CCCCCCOc1ccccc1I 7a_100000739446_100000210314 [0,1,0,0,0,1|2,0,0]=4 10707 B14R1.882 CCCCCCOc1ccccc1N 34a_100000185747_100000210314 [0,1,0,0,0,1|2,0,0]=4 10708 B14R1.882 CCCCCCOc1ccccc1N 7a_100000185747_100000210314 [0,1,0,0,0,1|2,0,0]=4 10709 B14R1.882 CCCCCCOc1cccnc1Br 34a_100000744436_100000210314 [0,1,0,0,0,1|2,0,0]=4 10710 B14R1.882 CCCCCCOc1cccnc1Br 7a_100000744436_100000210314 [0,1,0,0,0,1|2,0,0]=4 10711 B14R1.882 CCCCCCOc1cccnc1C 34a_100000745507_100000210314 [0,1,0,0,0,1|2,0,0]=4 10712 B14R1.882 CCCCCCOc1cccnc1C 7a_100000745507_100000210314 [0,1,0,0,0,1|2,0,0]=4 10713 B14R1.882 CCCCCCOc1cccnc1Cl 34a_100000757616_100000210314 [0,1,0,0,0,1|2,0,0]=4 10714 B14R1.882 CCCCCCOc1cccnc1Cl 7a_100000757616_100000210314 [0,1,0,0,0,1|2,0,0]=4 10715 B14R1.882 CCCCCCOc1cccnc1F 34a_100000061740_100000210314 [0,1,0,0,0,1|2,0,0]=4 10716 B14R1.882 CCCCCCOc1cccnc1F 7a_100000061740_100000210314 [0,1,0,0,0,1|2,0,0]=4 10717 B14R1.882 CCCCCCOc1cccnc1I 34a_100000034122_100000210314 [0,1,0,0,0,1|2,0,0]=4 10718 B14R1.882 CCCCCCOc1cccnc1I 7a_100000034122_100000210314 [0,1,0,0,0,1|2,0,0]=4 10719 B14R1.882 CCCCCCOc1cccnc1N 34a_100000211975_100000210314 [0,1,0,0,0,1|2,0,0]=4 10720 B14R1.882 CCCCCCOc1cccnc1N 7a_100000211975_100000210314 [0,1,0,0,0,1|2,0,0]=4 10721 B14R1.882 CCCCCCOc1cccoc1=O 34a_100000077404_100000210314 [0,1,0,0,0,1|1,0,0]=3 10722 B14R1.882 CCCCCCOc1cccoc1=O 7a_100000077404_100000210314 [0,1,0,0,0,1|1,0,0]=3 10723 B14R1.882 CCCCCCOc1ccncc1Br 34a_100011996408_100000210314 [0,1,0,0,0,1|2,0,0]=4 10724 B14R1.882 CCCCCCOc1ccncc1C 34a_100000694293_100000210314 [0,1,0,0,0,1|2,0,0]=4 10725 B14R1.882 CCCCCCOc1ccncc1Cl 34a_100011997054_100000210314 [0,1,0,0,0,1|2,0,0]=4 10726 B14R1.882 CCCCCCOc1ccncc1F 34a_200000081243_100000210314 [0,1,0,0,0,1|2,0,0]=4 10727 B14R1.882 CCCCCCOc1cnccc1C 34a_100011997053_100000210314 [0,1,0,0,0,1|2,0,0]=4 10728 B14R1.882 CCCCCCOc1cnccc1C 7a_100011997053_100000210314 [0,1,0,0,0,1|2,0,0]=4 10729 B14R1.882 CCCCCCOc1cnccc1Cl 34a_100011996695_100000210314 [0,1,0,0,0,1|2,0,0]=4 10730 B14R1.882 CCCCCCOc1cnccc1I 34a_100000050107_100000210314 [0,1,0,0,0,1|2,0,0]=4 10731 B14R1.882 CCCCCCOc1cnccc1N 34a_100000753702_100000210314 [0,1,0,0,0,1|2,0,0]=4 10732 B14R1.882 CCCCCCOc1coccc1=O 34a_100000060831_100000210314 [0,1,0,0,0,1|1,0,0]=3 10733 B14R1.882 CCCCCCOc1ncccc1Cl 34a_100011290957_100000210314 [0,1,0,0,0,1|2,0,0]=4 10734 B14R1.882 CCCCCCOc1ncccc1F 34a_100011219419_100000210314 [0,1,0,0,0,1|2,0,0]=4 10735 B14R1.882 CCCCCCOc1ncccc1N 34a_100000746358_100000210314 [0,1,0,0,0,1|2,0,0]=4 10736 B14R1.882 CCCCCCOc1nccnc1C 34a_100000766352_100000210314 [0,1,0,0,0,1|2,0,0]=4 10737 B14R1.882 CCCCCCSc1c[nH]ccc1=O 62a_100000210314_100009998708 [0,1,0,0,0,1|2,0,0]=4 10738 B14R1.882 CCCCCCSc1c[nH]ccc1=O 62a_100009998708_100000210757 [0,1,0,0,0,1|2,0,0]=4 10739 B14R1.882 CCCCCCSc1c[nH]ccc1=S 62a_100000210314_200012280681 [0,1,0,0,0,1|2,0,0]=4 10740 B14R1.882 CCCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210757 [0,1,0,0,0,1|2,0,0]=4 10741 B14R1.882 CCCCCCSc1cccc[n+]1C 62a_100000210314_100000212160 [0,1,0,0,0,1|2,0,0]=4 10742 B14R1.882 CCCCCCSc1cccc[n+]1[O-] 62a_100000210314_200000042595 [0,1,0,0,0,1|2,0,0]=4 10743 B14R1.882 CCCCCCSc1ccccc1Br 62a_100000210314_100000695589 [0,1,0,0,0,1|2,0,0]=4 10744 B14R1.882 CCCCCCSc1ccccc1Br 62a_100000695589_100000210757 [0,1,0,0,0,1|2,0,0]=4 10745 B14R1.882 CCCCCCSc1ccccc1C 62a_100000210314_100000210755 [0,1,0,0,0,1|2,0,0]=4 10746 B14R1.882 CCCCCCSc1ccccc1C 62a_100000210755_100000210757 [0,1,0,0,0,1|2,0,0]=4 10747 B14R1.882 CCCCCCSc1ccccc1Cl 62a_100000210314_100000764095 [0,1,0,0,0,1|2,0,0]=4 10748 B14R1.882 CCCCCCSc1ccccc1Cl 62a_100000764095_100000210757 [0,1,0,0,0,1|2,0,0]=4 10749 B14R1.882 CCCCCCSc1ccccc1F 62a_100000210314_100011215700 [0,1,0,0,0,1|2,0,0]=4 10750 B14R1.882 CCCCCCSc1ccccc1F 62a_100011215700_100000210757 [0,1,0,0,0,1|2,0,0]=4 10751 B14R1.882 CCCCCCSc1ccccc1N 62a_100000210017_100000210757 [0,1,0,0,0,1|2,0,0]=4 10752 B14R1.882 CCCCCCSc1ccccc1N 62a_100000210314_100000210017 [0,1,0,0,0,1|2,0,0]=4 10753 B14R1.882 CCCCCCSc1ccccc1O 62a_100000210314_100000739446 [0,1,0,0,0,1|2,0,0]=4 10754 B14R1.882 CCCCCCSc1ccccc1O 62a_100000739446_100000210757 [0,1,0,0,0,1|2,0,0]=4 10755 B14R1.882 CCCCCCSc1cccnc1Br 62a_100000210314_100010202626 [0,1,0,0,0,1|2,0,0]=4 10756 B14R1.882 CCCCCCSc1cccnc1Br 62a_100010202626_100000210757 [0,1,0,0,0,1|2,0,0]=4 10757 B14R1.882 CCCCCCSc1cccnc1C 62a_100000210314_100000751574 [0,1,0,0,0,1|2,0,0]=4 10758 B14R1.882 CCCCCCSc1cccnc1C 62a_100000751574_100000210757 [0,1,0,0,0,1|2,0,0]=4 10759 B14R1.882 CCCCCCSc1cccnc1Cl 62a_100000036424_100000210757 [0,1,0,0,0,1|2,0,0]=4 10760 B14R1.882 CCCCCCSc1cccnc1Cl 62a_100000210314_100000036424 [0,1,0,0,0,1|2,0,0]=4 10761 B14R1.882 CCCCCCSc1cccnc1F 62a_100000210314_100009816115 [0,1,0,0,0,1|2,0,0]=4 10762 B14R1.882 CCCCCCSc1cccnc1F 62a_100009816115_100000210757 [0,1,0,0,0,1|2,0,0]=4 10763 B14R1.882 CCCCCCSc1cccnc1N 62a_100000045569_100000210757 [0,1,0,0,0,1|2,0,0]=4 10764 B14R1.882 CCCCCCSc1cccnc1N 62a_100000210314_100000045569 [0,1,0,0,0,1|2,0,0]=4 10765 B14R1.882 CCCCCCSc1cccnc1O 62a_100000210314_100000760158 [0,1,0,0,0,1|2,0,0]=4 10766 B14R1.882 CCCCCCSc1cccnc1O 62a_100000760158_100000210757 [0,1,0,0,0,1|2,0,0]=4 10767 B14R1.882 CCCCCCSc1ccncc1Br 62a_100000210314_100000726257 [0,1,0,0,0,1|2,0,0]=4 10768 B14R1.882 CCCCCCSc1ccncc1Br 62a_100000726257_100000210757 [0,1,0,0,0,1|2,0,0]=4 10769 B14R1.882 CCCCCCSc1ccncc1C 62a_100000210314_100000765111 [0,1,0,0,0,1|2,0,0]=4 10770 B14R1.882 CCCCCCSc1ccncc1C 62a_100000765111_100000210757 [0,1,0,0,0,1|2,0,0]=4 10771 B14R1.882 CCCCCCSc1ccncc1Cl 62a_100000210314_100000708259 [0,1,0,0,0,1|2,0,0]=4 10772 B14R1.882 CCCCCCSc1ccncc1Cl 62a_100000708259_100000210757 [0,1,0,0,0,1|2,0,0]=4 10773 B14R1.882 CCCCCCSc1ccncc1F 62a_100000047030_100000210757 [0,1,0,0,0,1|2,0,0]=4 10774 B14R1.882 CCCCCCSc1ccncc1F 62a_100000210314_100000047030 [0,1,0,0,0,1|2,0,0]=4 10775 B14R1.882 CCCCCCSc1ccncc1N 62a_100000210314_100000756074 [0,1,0,0,0,1|2,0,0]=4 10776 B14R1.882 CCCCCCSc1ccncc1N 62a_100000756074_100000210757 [0,1,0,0,0,1|2,0,0]=4 10777 B14R1.882 CCCCCCSc1ccncc1O 62a_100000210314_100009817591 [0,1,0,0,0,1|2,0,0]=4 10778 B14R1.882 CCCCCCSc1ccncc1O 62a_100009817591_100000210757 [0,1,0,0,0,1|2,0,0]=4 10779 B14R1.882 CCCCCCSc1cnccc1Br 62a_100000210314_100010138639 [0,1,0,0,0,1|2,0,0]=4 10780 B14R1.882 CCCCCCSc1cnccc1Br 62a_100010138639_100000210757 [0,1,0,0,0,1|2,0,0]=4 10781 B14R1.882 CCCCCCSc1cnccc1C 62a_100000210314_100000761580 [0,1,0,0,0,1|2,0,0]=4 10782 B14R1.882 CCCCCCSc1cnccc1C 62a_100000761580_100000210757 [0,1,0,0,0,1|2,0,0]=4 10783 B14R1.882 CCCCCCSc1cnccc1Cl 62a_100000210314_100009995489 [0,1,0,0,0,1|2,0,0]=4 10784 B14R1.882 CCCCCCSc1cnccc1Cl 62a_100009995489_100000210757 [0,1,0,0,0,1|2,0,0]=4 10785 B14R1.882 CCCCCCSc1cnccc1F 62a_100000210314_100009820683 [0,1,0,0,0,1|2,0,0]=4 10786 B14R1.882 CCCCCCSc1cnccc1F 62a_100009820683_100000210757 [0,1,0,0,0,1|2,0,0]=4 10787 B14R1.882 CCCCCCSc1cnccc1N 62a_100000047001_100000210757 [0,1,0,0,0,1|2,0,0]=4 10788 B14R1.882 CCCCCCSc1cnccc1N 62a_100000210314_100000047001 [0,1,0,0,0,1|2,0,0]=4 10789 B14R1.882 CCCCCCSc1ncc[nH]c1=O 62a_100000210314_100000763361 [0,1,0,0,0,1|2,0,0]=4 10790 B14R1.882 CCCCCCSc1ncccc1Br 62a_100000210314_100000696092 [0,1,0,0,0,1|2,0,0]=4 10791 B14R1.882 CCCCCCSc1ncccc1Br 62a_100000696092_100000210757 [0,1,0,0,0,1|2,0,0]=4 10792 B14R1.882 CCCCCCSc1ncccc1C 62a_100000210314_100000751373 [0,1,0,0,0,1|2,0,0]=4 10793 B14R1.882 CCCCCCSc1ncccc1C 62a_100000751373_100000210757 [0,1,0,0,0,1|2,0,0]=4 10794 B14R1.882 CCCCCCSc1ncccc1Cl 62a_100000210314_100011356963 [0,1,0,0,0,1|2,0,0]=4 10795 B14R1.882 CCCCCCSc1ncccc1Cl 62a_100011356963_100000210757 [0,1,0,0,0,1|2,0,0]=4 10796 B14R1.882 CCCCCCSc1ncccc1F 62a_100000210314_100000685392 [0,1,0,0,0,1|2,0,0]=4 10797 B14R1.882 CCCCCCSc1ncccc1F 62a_100000685392_100000210757 [0,1,0,0,0,1|2,0,0]=4 10798 B14R1.882 CCCCCCSc1ncccc1N 62a_100000210314_100000688686 [0,1,0,0,0,1|2,0,0]=4 10799 B14R1.882 CCCCCCSc1ncccc1N 62a_100000688686_100000210757 [0,1,0,0,0,1|2,0,0]=4 10800 B14R1.882 CCCCCCSc1ncccc1O 62a_100000034122_100000210757 [0,1,0,0,0,1|2,0,0]=4 10801 B14R1.882 CCCCCCSc1ncccc1O 62a_100000210314_100000034122 [0,1,0,0,0,1|2,0,0]=4 10802 B14R1.882 CCCCCCSc1nccnc1C 62a_100000210314_100011999405 [0,1,0,0,0,1|2,0,0]=4 10803 B14R1.882 CCCCCCSc1nccnc1C 62a_100011999405_100000210757 [0,1,0,0,0,1|2,0,0]=4 10804 B14R1.882 CCCCCCSc1nccnc1Cl 62a_100000210314_100010886584 [0,1,0,0,0,1|2,0,0]=4 10805 B14R1.882 CCCCCCSc1nccnc1Cl 62a_100010886584_100000210757 [0,1,0,0,0,1|2,0,0]=4 10806 B14R1.882 CCCCCCSc1nccnc1F 62a_100000210314_200010125657 [0,1,0,0,0,1|2,0,0]=4 10807 B14R1.882 CCCCCCSc1nccnc1F 62a_200010125657_100000210757 [0,1,0,0,0,1|2,0,0]=4 10808 B14R1.882 CCCCCCSc1nccnc1N 62a_100000210314_100000747729 [0,1,0,0,0,1|2,0,0]=4 10809 B14R1.882 CCCCCCSc1nccnc1N 62a_100000747729_100000210757 [0,1,0,0,0,1|2,0,0]=4 10810 B14R1.882 CCCCCCSc1ncncc1C 62a_100000210314_100011998708 [0,1,0,0,0,1|2,0,0]=4 10811 B14R1.882 CCCCCCSc1ncncc1C 62a_100011998708_100000210757 [0,1,0,0,0,1|2,0,0]=4 10812 B14R1.882 CCCCCCSc1ncncc1F 62a_100000069762_100000210757 [0,1,0,0,0,1|2,0,0]=4 10813 B14R1.882 CCCCCCSc1ncncc1F 62a_100000210314_100000069762 [0,1,0,0,0,1|2,0,0]=4 10814 B14R1.882 CCCCCCSc1ncncc1N 62a_100000210314_100000709731 [0,1,0,0,0,1|2,0,0]=4 10815 B14R1.882 CCCCCCSc1ncncc1N 62a_100000709731_100000210757 [0,1,0,0,0,1|2,0,0]=4 10816 B14R1.882 CCCCCCSc1nnccc1C 62a_100000210314_100000089043 [0,1,0,0,0,1|2,0,0]=4 10817 B14R1.882 CCCCCNCc1ccccc1Br 207a_100000209983_100000211189 [0,1,0,0,0,1|2,0,0]=4 10818 B14R1.882 CCCCCNCc1ccccc1Br 2230a_100000209983_100000184730 [0,1,0,0,0,1|2,0,0]=4 10819 B14R1.882 CCCCCNCc1ccccc1Br 2230a_100000689332_100000210326 [0,1,0,0,0,1|2,0,0]=4 10820 B14R1.882 CCCCCNCc1ccccc1Br 270004a_100000209983_100000211189 [0,1,0,0,0,1|2,0,0]=4 10821 B14R1.882 CCCCCNCc1ccccc1Br 34a_100000689332_100000718602 [0,1,0,0,0,1|2,0,0]=4 10822 B14R1.882 CCCCCNCc1ccccc1C 207a_100000209983_100000211143 [0,1,0,0,0,1|2,0,0]=4 10823 B14R1.882 CCCCCNCc1ccccc1C 2230a_100000209983_100000211839 [0,1,0,0,0,1|2,0,0]=4 10824 B14R1.882 CCCCCNCc1ccccc1C 270004a_100000209983_100000211143 [0,1,0,0,0,1|2,0,0]=4 10825 B14R1.882 CCCCCNCc1ccccc1C 34a_100000174972_100000718602 [0,1,0,0,0,1|2,0,0]=4 10826 B14R1.882 CCCCCNCc1ccccc1Cl 207a_100000209983_100000210073 [0,1,0,0,0,1|2,0,0]=4 10827 B14R1.882 CCCCCNCc1ccccc1Cl 2230a_100000174879_100000210326 [0,1,0,0,0,1|2,0,0]=4 10828 B14R1.882 CCCCCNCc1ccccc1Cl 2230a_100000209983_100000187162 [0,1,0,0,0,1|2,0,0]=4 10829 B14R1.882 CCCCCNCc1ccccc1Cl 270004a_100000209983_100000210073 [0,1,0,0,0,1|2,0,0]=4 10830 B14R1.882 CCCCCNCc1ccccc1Cl 34a_100000174879_100000718602 [0,1,0,0,0,1|2,0,0]=4 10831 B14R1.882 CCCCCNCc1ccccc1F 207a_100000209983_100000210811 [0,1,0,0,0,1|2,0,0]=4 10832 B14R1.882 CCCCCNCc1ccccc1F 2230a_100000209983_100000211605 [0,1,0,0,0,1|2,0,0]=4 10833 B14R1.882 CCCCCNCc1ccccc1F 270004a_100000209983_100000210811 [0,1,0,0,0,1|2,0,0]=4 10834 B14R1.882 CCCCCNCc1ccccc1F 34a_100000174869_100000718602 [0,1,0,0,0,1|2,0,0]=4 10835 B14R1.882 CCCCCNCc1ccccc1I 207a_100000209983_100000010305 [0,1,0,0,0,1|2,0,0]=4 10836 B14R1.882 CCCCCNCc1ccccc1I 2230a_100000209983_100011215278 [0,1,0,0,0,1|2,0,0]=4 10837 B14R1.882 CCCCCNCc1ccccc1I 270004a_100000209983_100000010305 [0,1,0,0,0,1|2,0,0]=4 10838 B14R1.882 CCCCCNCc1ccccc1O 34a_100000185550_100000718602 [0,1,0,0,0,1|2,0,0]=4 10839 B14R1.882 CCCCCNCc1cccnc1Br 2230a_100000209983_100010140945 [0,1,0,0,0,1|2,0,0]=4 10840 B14R1.882 CCCCCNCc1cccnc1Br 2230a_100009818023_100000210326 [0,1,0,0,0,1|2,0,0]=4 10841 B14R1.882 CCCCCNCc1cccnc1Br 34a_100009818023_100000718602 [0,1,0,0,0,1|2,0,0]=4 10842 B14R1.882 CCCCCNCc1cccnc1C 207a_100000209983_100000751968 [0,1,0,0,0,1|2,0,0]=4 10843 B14R1.882 CCCCCNCc1cccnc1C 2230a_100000209983_100000732876 [0,1,0,0,0,1|2,0,0]=4 10844 B14R1.882 CCCCCNCc1cccnc1C 270004a_100000209983_100000751968 [0,1,0,0,0,1|2,0,0]=4 10845 B14R1.882 CCCCCNCc1cccnc1Cl 2230a_100000209983_100000045678 [0,1,0,0,0,1|2,0,0]=4 10846 B14R1.882 CCCCCNCc1cccnc1Cl 2230a_100015189234_100000210326 [0,1,0,0,0,1|2,0,0]=4 10847 B14R1.882 CCCCCNCc1cccnc1Cl 34a_100015189234_100000718602 [0,1,0,0,0,1|2,0,0]=4 10848 B14R1.882 CCCCCNCc1cccnc1F 2230a_100000209983_100000099810 [0,1,0,0,0,1|2,0,0]=4 10849 B14R1.882 CCCCCNCc1cccnc1F 34a_100000724633_100000718602 [0,1,0,0,0,1|2,0,0]=4 10850 B14R1.882 CCCCCNCc1cccnc1O 207a_100000209983_100011998315 [0,1,0,0,0,1|2,0,0]=4 10851 B14R1.882 CCCCCNCc1cccnc1O 270004a_100000209983_100011998315 [0,1,0,0,0,1|2,0,0]=4 10852 B14R1.882 CCCCCNCc1ccncc1Br 270004a_100000209983_100000755692 [0,1,0,0,0,1|2,0,0]=4 10853 B14R1.882 CCCCCNCc1ccncc1C 2230a_100000209983_100020672808 [0,1,0,0,0,1|2,0,0]=4 10854 B14R1.882 CCCCCNCc1ccncc1Cl 207a_100000209983_100011934409 [0,1,0,0,0,1|2,0,0]=4 10855 B14R1.882 CCCCCNCc1ccncc1Cl 2230a_100000209983_100000763264 [0,1,0,0,0,1|2,0,0]=4 10856 B14R1.882 CCCCCNCc1ccncc1Cl 270004a_100000209983_100011934409 [0,1,0,0,0,1|2,0,0]=4 10857 B14R1.882 CCCCCNCc1ccncc1F 34a_100011935246_100000718602 [0,1,0,0,0,1|2,0,0]=4 10858 B14R1.882 CCCCCNCc1cnccc1Br 270004a_100000209983_100009816821 [0,1,0,0,0,1|2,0,0]=4 10859 B14R1.882 CCCCCNCc1cnccc1C 207a_100000209983_100000685662 [0,1,0,0,0,1|2,0,0]=4 10860 B14R1.882 CCCCCNCc1cnccc1C 2230a_100000209983_100000690890 [0,1,0,0,0,1|2,0,0]=4 10861 B14R1.882 CCCCCNCc1cnccc1C 270004a_100000209983_100000685662 [0,1,0,0,0,1|2,0,0]=4 10862 B14R1.882 CCCCCNCc1cnccc1Cl 270004a_100000209983_100000050567 [0,1,0,0,0,1|2,0,0]=4 10863 B14R1.882 CCCCCNCc1ncccc1Br 207a_100000209983_100011934733 [0,1,0,0,0,1|2,0,0]=4 10864 B14R1.882 CCCCCNCc1ncccc1Br 2230a_100000209983_100025702911 [0,1,0,0,0,1|2,0,0]=4 10865 B14R1.882 CCCCCNCc1ncccc1Br 270004a_100000209983_100011934733 [0,1,0,0,0,1|2,0,0]=4 10866 B14R1.882 CCCCCNCc1ncccc1C 207a_100000209983_100000698913 [0,1,0,0,0,1|2,0,0]=4 10867 B14R1.882 CCCCCNCc1ncccc1C 2230a_100000209983_100000696600 [0,1,0,0,0,1|2,0,0]=4 10868 B14R1.882 CCCCCNCc1ncccc1C 270004a_100000209983_100000698913 [0,1,0,0,0,1|2,0,0]=4 10869 B14R1.882 CCCCCNCc1ncccc1C 34a_100011223789_100000718602 [0,1,0,0,0,1|2,0,0]=4 10870 B14R1.882 CCCCCNCc1ncccc1Cl 207a_100000209983_100012001307 [0,1,0,0,0,1|2,0,0]=4 10871 B14R1.882 CCCCCNCc1ncccc1Cl 2230a_100000209983_100000099807 [0,1,0,0,0,1|2,0,0]=4 10872 B14R1.882 CCCCCNCc1ncccc1Cl 2230a_100015189233_100000210326 [0,1,0,0,0,1|2,0,0]=4 10873 B14R1.882 CCCCCNCc1ncccc1Cl 270004a_100000209983_100012001307 [0,1,0,0,0,1|2,0,0]=4 10874 B14R1.882 CCCCCNCc1ncccc1F 207a_100000209983_100011934734 [0,1,0,0,0,1|2,0,0]=4 10875 B14R1.882 CCCCCNCc1ncccc1F 2230a_100000209983_100000104219 [0,1,0,0,0,1|2,0,0]=4 10876 B14R1.882 CCCCCNCc1ncccc1F 270004a_100000209983_100011934734 [0,1,0,0,0,1|2,0,0]=4 10877 B14R1.882 CCCCCNCc1ncccc1F 34a_100000690088_100000718602 [0,1,0,0,0,1|2,0,0]=4 10878 B14R1.882 CCCCCNCc1nccnc1C 2230a_100020641712_100000210326 [0,1,0,0,0,1|2,0,0]=4 10879 B14R1.882 CCCCCNCc1nccnc1C 270004a_100000209983_100000050726 [0,1,0,0,0,1|2,0,0]=4 10880 B14R1.882 CCCCCNCc1nccnc1C 34a_100020641712_100000718602 [0,1,0,0,0,1|2,0,0]=4 10881 B14R1.882 CCCCCNCc1nccnc1Cl 2230a_100000729963_100000210326 [0,1,0,0,0,1|2,0,0]=4 10882 B14R1.882 CCCCCOCc1ccccc1Br 34a_100000210253_100000184730 [0,1,0,0,0,1|2,0,0]=4 10883 B14R1.882 CCCCCOCc1ccccc1Br 34a_100000756307_100000718602 [0,1,0,0,0,1|2,0,0]=4 10884 B14R1.882 CCCCCOCc1ccccc1Br 7a_100000210253_100000184730 [0,1,0,0,0,1|2,0,0]=4 10885 B14R1.882 CCCCCOCc1ccccc1Br 7a_100000756307_100000210326 [0,1,0,0,0,1|2,0,0]=4 10886 B14R1.882 CCCCCOCc1ccccc1C 34a_100000210253_100000211839 [0,1,0,0,0,1|2,0,0]=4 10887 B14R1.882 CCCCCOCc1ccccc1C 34a_100000698903_100000718602 [0,1,0,0,0,1|2,0,0]=4 10888 B14R1.882 CCCCCOCc1ccccc1C 7a_100000210253_100000211839 [0,1,0,0,0,1|2,0,0]=4 10889 B14R1.882 CCCCCOCc1ccccc1C 7a_100000698903_100000210326 [0,1,0,0,0,1|2,0,0]=4 10890 B14R1.882 CCCCCOCc1ccccc1Cl 34a_100000210253_100000187162 [0,1,0,0,0,1|2,0,0]=4 10891 B14R1.882 CCCCCOCc1ccccc1Cl 34a_100000210847_100000718602 [0,1,0,0,0,1|2,0,0]=4 10892 B14R1.882 CCCCCOCc1ccccc1Cl 7a_100000210253_100000187162 [0,1,0,0,0,1|2,0,0]=4 10893 B14R1.882 CCCCCOCc1ccccc1Cl 7a_100000210847_100000210326 [0,1,0,0,0,1|2,0,0]=4 10894 B14R1.882 CCCCCOCc1ccccc1F 34a_100000210253_100000211605 [0,1,0,0,0,1|2,0,0]=4 10895 B14R1.882 CCCCCOCc1ccccc1F 34a_100000211962_100000718602 [0,1,0,0,0,1|2,0,0]=4 10896 B14R1.882 CCCCCOCc1ccccc1F 7a_100000210253_100000211605 [0,1,0,0,0,1|2,0,0]=4 10897 B14R1.882 CCCCCOCc1ccccc1F 7a_100000211962_100000210326 [0,1,0,0,0,1|2,0,0]=4 10898 B14R1.882 CCCCCOCc1ccccc1I 34a_100000187465_100000718602 [0,1,0,0,0,1|2,0,0]=4 10899 B14R1.882 CCCCCOCc1ccccc1I 34a_100000210253_100011215278 [0,1,0,0,0,1|2,0,0]=4 10900 B14R1.882 CCCCCOCc1ccccc1I 7a_100000187465_100000210326 [0,1,0,0,0,1|2,0,0]=4 10901 B14R1.882 CCCCCOCc1ccccc1I 7a_100000210253_100011215278 [0,1,0,0,0,1|2,0,0]=4 10902 B14R1.882 CCCCCOCc1ccccc1N 34a_100000212039_100000718602 [0,1,0,0,0,1|2,0,0]=4 10903 B14R1.882 CCCCCOCc1cccnc1Br 34a_100000210253_100010140945 [0,1,0,0,0,1|2,0,0]=4 10904 B14R1.882 CCCCCOCc1cccnc1Br 34a_100000719692_100000718602 [0,1,0,0,0,1|2,0,0]=4 10905 B14R1.882 CCCCCOCc1cccnc1Br 7a_100000210253_100010140945 [0,1,0,0,0,1|2,0,0]=4 10906 B14R1.882 CCCCCOCc1cccnc1Br 7a_100000719692_100000210326 [0,1,0,0,0,1|2,0,0]=4 10907 B14R1.882 CCCCCOCc1cccnc1C 34a_100000210253_100000732876 [0,1,0,0,0,1|2,0,0]=4 10908 B14R1.882 CCCCCOCc1cccnc1C 34a_100000729262_100000718602 [0,1,0,0,0,1|2,0,0]=4 10909 B14R1.882 CCCCCOCc1cccnc1C 7a_100000210253_100000732876 [0,1,0,0,0,1|2,0,0]=4 10910 B14R1.882 CCCCCOCc1cccnc1C 7a_100000729262_100000210326 [0,1,0,0,0,1|2,0,0]=4 10911 B14R1.882 CCCCCOCc1cccnc1Cl 34a_100000210253_100000045678 [0,1,0,0,0,1|2,0,0]=4 10912 B14R1.882 CCCCCOCc1cccnc1Cl 34a_100000748726_100000718602 [0,1,0,0,0,1|2,0,0]=4 10913 B14R1.882 CCCCCOCc1cccnc1Cl 7a_100000210253_100000045678 [0,1,0,0,0,1|2,0,0]=4 10914 B14R1.882 CCCCCOCc1cccnc1Cl 7a_100000748726_100000210326 [0,1,0,0,0,1|2,0,0]=4 10915 B14R1.882 CCCCCOCc1cccnc1F 34a_100000079888_100000718602 [0,1,0,0,0,1|2,0,0]=4 10916 B14R1.882 CCCCCOCc1cccnc1F 34a_100000210253_100000099810 [0,1,0,0,0,1|2,0,0]=4 10917 B14R1.882 CCCCCOCc1cccnc1F 7a_100000079888_100000210326 [0,1,0,0,0,1|2,0,0]=4 10918 B14R1.882 CCCCCOCc1cccnc1F 7a_100000210253_100000099810 [0,1,0,0,0,1|2,0,0]=4 10919 B14R1.882 CCCCCOCc1ccncc1C 34a_100000210253_100020672809 [0,1,0,0,0,1|2,0,0]=4 10920 B14R1.882 CCCCCOCc1ccncc1C 34a_100011997032_100000718602 [0,1,0,0,0,1|2,0,0]=4 10921 B14R1.882 CCCCCOCc1ccncc1C 7a_100000210253_100020672808 [0,1,0,0,0,1|2,0,0]=4 10922 B14R1.882 CCCCCOCc1ccncc1Cl 7a_100000210253_100000763264 [0,1,0,0,0,1|2,0,0]=4 10923 B14R1.882 CCCCCOCc1ccncc1F 34a_100012172863_100000718602 [0,1,0,0,0,1|2,0,0]=4 10924 B14R1.882 CCCCCOCc1cnccc1C 34a_100000210253_100000690890 [0,1,0,0,0,1|2,0,0]=4 10925 B14R1.882 CCCCCOCc1cnccc1C 34a_100011996381_100000718602 [0,1,0,0,0,1|2,0,0]=4 10926 B14R1.882 CCCCCOCc1cnccc1C 7a_100000210253_100000690890 [0,1,0,0,0,1|2,0,0]=4 10927 B14R1.882 CCCCCOCc1cnccc1Cl 34a_100000117392_100000718602 [0,1,0,0,0,1|2,0,0]=4 10928 B14R1.882 CCCCCOCc1ncccc1Br 34a_100000210253_100025702911 [0,1,0,0,0,1|2,0,0]=4 10929 B14R1.882 CCCCCOCc1ncccc1Br 34a_100011996772_100000718602 [0,1,0,0,0,1|2,0,0]=4 10930 B14R1.882 CCCCCOCc1ncccc1Br 7a_100000210253_100025702911 [0,1,0,0,0,1|2,0,0]=4 10931 B14R1.882 CCCCCOCc1ncccc1C 34a_100000210253_100000696600 [0,1,0,0,0,1|2,0,0]=4 10932 B14R1.882 CCCCCOCc1ncccc1C 34a_100000698912_100000718602 [0,1,0,0,0,1|2,0,0]=4 10933 B14R1.882 CCCCCOCc1ncccc1C 7a_100000210253_100000696600 [0,1,0,0,0,1|2,0,0]=4 10934 B14R1.882 CCCCCOCc1ncccc1Cl 34a_100012002383_100000718602 [0,1,0,0,0,1|2,0,0]=4 10935 B14R1.882 CCCCCOCc1ncccc1Cl 7a_100000210253_100000099807 [0,1,0,0,0,1|2,0,0]=4 10936 B14R1.882 CCCCCOCc1ncccc1F 34a_100000210253_100000104219 [0,1,0,0,0,1|2,0,0]=4 10937 B14R1.882 CCCCCOCc1ncccc1F 34a_100011934865_100000718602 [0,1,0,0,0,1|2,0,0]=4 10938 B14R1.882 CCCCCOCc1ncccc1F 7a_100000210253_100000104219 [0,1,0,0,0,1|2,0,0]=4 10939 B14R1.882 CCCCCOCc1ncccc1N 34a_114873767017_100000718602 [0,1,0,0,0,1|2,0,0]=4 10940 B14R1.882 CCCCCOCc1ncccc1O 34a_100000210253_200020655725 [0,1,0,0,0,1|2,0,0]=4 10941 B14R1.882 CCCCCOCc1ncccc1O 7a_100000210253_200020655725 [0,1,0,0,0,1|2,0,0]=4 10942 B14R1.882 CCCCCOCc1nccnc1Cl 34a_100000057004_100000718602 [0,1,0,0,0,1|2,0,0]=4 10943 B14R1.882 CCCCCSCc1ccccc1Br 62a_100000184730_100000210326 [0,1,0,0,0,1|2,0,0]=4 10944 B14R1.882 CCCCCSCc1ccccc1Br 62a_100000210326_100000184730 [0,1,0,0,0,1|2,0,0]=4 10945 B14R1.882 CCCCCSCc1ccccc1C 62a_100000210326_100000211839 [0,1,0,0,0,1|2,0,0]=4 10946 B14R1.882 CCCCCSCc1ccccc1C 62a_100000211839_100000210326 [0,1,0,0,0,1|2,0,0]=4 10947 B14R1.882 CCCCCSCc1ccccc1Cl 62a_100000187162_100000210326 [0,1,0,0,0,1|2,0,0]=4 10948 B14R1.882 CCCCCSCc1ccccc1Cl 62a_100000210326_100000187162 [0,1,0,0,0,1|2,0,0]=4 10949 B14R1.882 CCCCCSCc1ccccc1F 62a_100000210326_100000211605 [0,1,0,0,0,1|2,0,0]=4 10950 B14R1.882 CCCCCSCc1ccccc1F 62a_100000211605_100000210326 [0,1,0,0,0,1|2,0,0]=4 10951 B14R1.882 CCCCCSCc1ccccc1I 62a_100000210326_100011216222 [0,1,0,0,0,1|2,0,0]=4 10952 B14R1.882 CCCCCSCc1ccccc1I 62a_100011216222_100000210326 [0,1,0,0,0,1|2,0,0]=4 10953 B14R1.882 CCCCCSCc1cccnc1Br 62a_100000210326_100010140945 [0,1,0,0,0,1|2,0,0]=4 10954 B14R1.882 CCCCCSCc1cccnc1Br 62a_100010140945_100000210326 [0,1,0,0,0,1|2,0,0]=4 10955 B14R1.882 CCCCCSCc1cccnc1C 62a_100000210326_100000732876 [0,1,0,0,0,1|2,0,0]=4 10956 B14R1.882 CCCCCSCc1cccnc1C 62a_100000732876_100000210326 [0,1,0,0,0,1|2,0,0]=4 10957 B14R1.882 CCCCCSCc1cccnc1Cl 62a_100000045678_100000210326 [0,1,0,0,0,1|2,0,0]=4 10958 B14R1.882 CCCCCSCc1cccnc1Cl 62a_100000210326_100000045678 [0,1,0,0,0,1|2,0,0]=4 10959 B14R1.882 CCCCCSCc1cccnc1F 62a_100000099810_100000210326 [0,1,0,0,0,1|2,0,0]=4 10960 B14R1.882 CCCCCSCc1cccnc1F 62a_100000210326_100000099810 [0,1,0,0,0,1|2,0,0]=4 10961 B14R1.882 CCCCCSCc1ccncc1C 62a_100000210326_100020672808 [0,1,0,0,0,1|2,0,0]=4 10962 B14R1.882 CCCCCSCc1ccncc1C 62a_100020672808_100000210326 [0,1,0,0,0,1|2,0,0]=4 10963 B14R1.882 CCCCCSCc1ccncc1Cl 62a_100000210326_100000763264 [0,1,0,0,0,1|2,0,0]=4 10964 B14R1.882 CCCCCSCc1ccncc1Cl 62a_100000763264_100000210326 [0,1,0,0,0,1|2,0,0]=4 10965 B14R1.882 CCCCCSCc1cnccc1C 62a_100000210326_100000690890 [0,1,0,0,0,1|2,0,0]=4 10966 B14R1.882 CCCCCSCc1cnccc1C 62a_100000690890_100000210326 [0,1,0,0,0,1|2,0,0]=4 10967 B14R1.882 CCCCCSCc1ncccc1Br 62a_100000210326_100025702911 [0,1,0,0,0,1|2,0,0]=4 10968 B14R1.882 CCCCCSCc1ncccc1Br 62a_100025702911_100000210326 [0,1,0,0,0,1|2,0,0]=4 10969 B14R1.882 CCCCCSCc1ncccc1C 62a_100000210326_100000696600 [0,1,0,0,0,1|2,0,0]=4 10970 B14R1.882 CCCCCSCc1ncccc1C 62a_100000696600_100000210326 [0,1,0,0,0,1|2,0,0]=4 10971 B14R1.882 CCCCCSCc1ncccc1Cl 62a_100000099807_100000210326 [0,1,0,0,0,1|2,0,0]=4 10972 B14R1.882 CCCCCSCc1ncccc1Cl 62a_100000210326_100000099807 [0,1,0,0,0,1|2,0,0]=4 10973 B14R1.882 CCCCCSCc1ncccc1F 62a_100000104219_100000210326 [0,1,0,0,0,1|2,0,0]=4 10974 B14R1.882 CCCCCSCc1ncccc1F 62a_100000210326_100000104219 [0,1,0,0,0,1|2,0,0]=4 10975 B14R1.882 CCCCCSCc1ncccc1O 62a_100000210326_200020655725 [0,1,0,0,0,1|2,0,0]=4 10976 B14R1.882 CCCCCSCc1ncccc1O 62a_200020655725_100000210326 [0,1,0,0,0,1|2,0,0]=4 10977 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000102301_100012161201 [0,1,0,0,0,1|2,0,0]=4 10978 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000747383_100000210211 [0,1,0,0,0,1|2,0,0]=4 10979 B14R1.882 CCCCNCCc1ccccc1Br 34a_100000747383_100000210210 [0,1,0,0,0,1|2,0,0]=4 10980 B14R1.882 CCCCNCCc1ccccc1Br 7a_106832991798_100012161201 [0,1,0,0,0,1|2,0,0]=4 10981 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000102301_100011713688 [0,1,0,0,0,1|2,0,0]=4 10982 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000685071_100000210211 [0,1,0,0,0,1|2,0,0]=4 10983 B14R1.882 CCCCNCCc1ccccc1C 34a_100000685071_100000210210 [0,1,0,0,0,1|2,0,0]=4 10984 B14R1.882 CCCCNCCc1ccccc1C 7a_106832991798_100011713688 [0,1,0,0,0,1|2,0,0]=4 10985 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100000102301_100011713703 [0,1,0,0,0,1|2,0,0]=4 10986 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100011207228_100000210211 [0,1,0,0,0,1|2,0,0]=4 10987 B14R1.882 CCCCNCCc1ccccc1Cl 270004a_100000102301_200011713468 [0,1,0,0,0,1|2,0,0]=4 10988 B14R1.882 CCCCNCCc1ccccc1Cl 34a_100011207228_100000210210 [0,1,0,0,0,1|2,0,0]=4 10989 B14R1.882 CCCCNCCc1ccccc1Cl 7a_106832991798_100011713703 [0,1,0,0,0,1|2,0,0]=4 10990 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000102301_100011713696 [0,1,0,0,0,1|2,0,0]=4 10991 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000185272_100000210211 [0,1,0,0,0,1|2,0,0]=4 10992 B14R1.882 CCCCNCCc1ccccc1F 34a_100000185272_100000210210 [0,1,0,0,0,1|2,0,0]=4 10993 B14R1.882 CCCCNCCc1ccccc1F 7a_106832991798_100000720011 [0,1,0,0,0,1|2,0,0]=4 10994 B14R1.882 CCCCNCCc1ccccc1O 34a_100011207237_100000210210 [0,1,0,0,0,1|2,0,0]=4 10995 B14R1.882 CCCCNCCc1ccccc1O 7a_106832991798_100000722297 [0,1,0,0,0,1|2,0,0]=4 10996 B14R1.882 CCCCOCCc1ccccc1Br 34a_100000210227_100012161201 [0,1,0,0,0,1|2,0,0]=4 10997 B14R1.882 CCCCOCCc1ccccc1Br 34a_100000731337_100000210210 [0,1,0,0,0,1|2,0,0]=4 10998 B14R1.882 CCCCOCCc1ccccc1Br 7a_100000210227_100012161201 [0,1,0,0,0,1|2,0,0]=4 10999 B14R1.882 CCCCOCCc1ccccc1Br 7a_100000731337_100000210211 [0,1,0,0,0,1|2,0,0]=4 11000 B14R1.882 CCCCOCCc1ccccc1C 34a_100000210227_100011713688 [0,1,0,0,0,1|2,0,0]=4 11001 B14R1.882 CCCCOCCc1ccccc1C 34a_100011220023_100000210210 [0,1,0,0,0,1|2,0,0]=4 11002 B14R1.882 CCCCOCCc1ccccc1C 7a_100000210227_100011713688 [0,1,0,0,0,1|2,0,0]=4 11003 B14R1.882 CCCCOCCc1ccccc1C 7a_100011220023_100000210211 [0,1,0,0,0,1|2,0,0]=4 11004 B14R1.882 CCCCOCCc1ccccc1Cl 34a_100000210227_100011713703 [0,1,0,0,0,1|2,0,0]=4 11005 B14R1.882 CCCCOCCc1ccccc1Cl 34a_100011215284_100000210210 [0,1,0,0,0,1|2,0,0]=4 11006 B14R1.882 CCCCOCCc1ccccc1Cl 7a_100000210227_100011713703 [0,1,0,0,0,1|2,0,0]=4 11007 B14R1.882 CCCCOCCc1ccccc1Cl 7a_100011215284_100000210211 [0,1,0,0,0,1|2,0,0]=4 11008 B14R1.882 CCCCOCCc1ccccc1F 34a_100000210227_100000720011 [0,1,0,0,0,1|2,0,0]=4 11009 B14R1.882 CCCCOCCc1ccccc1F 34a_100000753711_100000210210 [0,1,0,0,0,1|2,0,0]=4 11010 B14R1.882 CCCCOCCc1ccccc1F 7a_100000210227_100000720011 [0,1,0,0,0,1|2,0,0]=4 11011 B14R1.882 CCCCOCCc1ccccc1F 7a_100000753711_100000210211 [0,1,0,0,0,1|2,0,0]=4 11012 B14R1.882 CCCCOCCc1ccccc1I 34a_100010255290_100000210210 [0,1,0,0,0,1|2,0,0]=4 11013 B14R1.882 CCCCOCCc1ccccc1I 7a_100010255290_100000210211 [0,1,0,0,0,1|2,0,0]=4 11014 B14R1.882 CCCCOCCc1ccccc1N 34a_100011215289_100000210210 [0,1,0,0,0,1|2,0,0]=4 11015 B14R1.882 CCCCOCCc1ccccc1O 34a_100000210227_100000722297 [0,1,0,0,0,1|2,0,0]=4 11016 B14R1.882 CCCCOCCc1ccccc1O 7a_100000210227_100000722297 [0,1,0,0,0,1|2,0,0]=4 11017 B14R1.882 CCCCOCCc1ncccc1C 34a_100011997706_100000210210 [0,1,0,0,0,1|2,0,0]=4 11018 B14R1.882 CCCCOCCc1ncccc1C 7a_100011997706_100000210211 [0,1,0,0,0,1|2,0,0]=4 11019 B14R1.882 CCCCOCOc1cccoc1=O 34a_100000077404_100011995733 [0,1,0,0,0,1|2,0,0]=4 11020 B14R1.882 CCCCOCOc1coccc1=O 34a_100000060831_100011995733 [0,1,0,0,0,1|2,0,0]=4 11021 B14R1.882 CCCCSCCc1ccccc1Br 62a_100000210211_100012161201 [0,1,0,0,0,1|2,0,0]=4 11022 B14R1.882 CCCCSCCc1ccccc1Br 62a_100012161201_100000210210 [0,1,0,0,0,1|2,0,0]=4 11023 B14R1.882 CCCCSCCc1ccccc1C 62a_100000210211_100011713688 [0,1,0,0,0,1|2,0,0]=4 11024 B14R1.882 CCCCSCCc1ccccc1C 62a_100011713688_100000210210 [0,1,0,0,0,1|2,0,0]=4 11025 B14R1.882 CCCCSCCc1ccccc1Cl 62a_100000210211_100011713703 [0,1,0,0,0,1|2,0,0]=4 11026 B14R1.882 CCCCSCCc1ccccc1Cl 62a_100011713703_100000210210 [0,1,0,0,0,1|2,0,0]=4 11027 B14R1.882 CCCCSCCc1ccccc1F 62a_100000210211_100011713696 [0,1,0,0,0,1|2,0,0]=4 11028 B14R1.882 CCCCSCCc1ccccc1F 62a_100011713696_100000210210 [0,1,0,0,0,1|2,0,0]=4 11029 B14R1.882 CCCCSCCc1ccccc1O 62a_100000210211_100000722297 [0,1,0,0,0,1|2,0,0]=4 11030 B14R1.882 CCCCSCCc1ccccc1O 62a_100000722297_100000210210 [0,1,0,0,0,1|2,0,0]=4 11031 B14R1.882 CCCNCCCc1ccccc1F 2230a_100000724733_100000210303 [0,1,0,0,0,1|2,0,0]=4 11032 B14R1.882 CCCNCCCc1ccccc1F 34a_100000724733_100000210303 [0,1,0,0,0,1|2,0,0]=4 11033 B14R1.882 CCCOCCCc1ccccc1Br 34a_100000210258_200011713681 [0,1,0,0,0,1|2,0,0]=4 11034 B14R1.882 CCCOCCCc1ccccc1Br 34a_100000699526_100000210303 [0,1,0,0,0,1|2,0,0]=4 11035 B14R1.882 CCCOCCCc1ccccc1Br 7a_100000699526_100000210303 [0,1,0,0,0,1|2,0,0]=4 11036 B14R1.882 CCCOCCCc1ccccc1Cl 34a_100011709251_100000210303 [0,1,0,0,0,1|2,0,0]=4 11037 B14R1.882 CCCOCCCc1ccccc1Cl 7a_100011709251_100000210303 [0,1,0,0,0,1|2,0,0]=4 11038 B14R1.882 CCCOCCCc1ccccc1F 34a_100011709249_100000210303 [0,1,0,0,0,1|2,0,0]=4 11039 B14R1.882 CCCOCCCc1ccccc1F 7a_100011709249_100000210303 [0,1,0,0,0,1|2,0,0]=4 11040 B14R1.882 CCCOCCOc1cccoc1=O 34a_100000077404_100011215938 [0,1,0,0,0,1|2,0,0]=4 11041 B14R1.882 CCCOCCOc1cccoc1=O 7a_100000077404_100011215938 [0,1,0,0,0,1|2,0,0]=4 11042 B14R1.882 CCCOCCOc1coccc1=O 34a_100000060831_100011215938 [0,1,0,0,0,1|2,0,0]=4 11043 B14R1.882 CCCSCCCc1ccccc1Br 62a_100000210303_200011713681 [0,1,0,0,0,1|2,0,0]=4 11044 B14R1.882 CCCSCCCc1ccccc1Br 62a_200011713681_100000210303 [0,1,0,0,0,1|2,0,0]=4 11045 B14R1.882 CCOCCCCc1ccccc1Br 34a_100012092669_100000210202 [0,1,0,0,0,1|2,0,0]=4 11046 B14R1.882 CCOCCCCc1ccccc1Br 7a_100012092669_100000210202 [0,1,0,0,0,1|2,0,0]=4 11047 B14R1.882 CCOCCCOc1cccoc1=O 34a_100000077404_100012232248 [0,1,0,0,0,1|2,0,0]=4 11048 B14R1.882 CCOCCCOc1cccoc1=O 7a_100000077404_100012232248 [0,1,0,0,0,1|2,0,0]=4 11049 B14R1.882 CCOCCCOc1coccc1=O 34a_100000060831_100012232248 [0,1,0,0,0,1|2,0,0]=4 11050 B14R1.882 COCCCCOc1cccoc1=O 34a_100000077404_100000755781 [0,1,0,0,0,1|2,0,0]=4 11051 B14R1.882 COCCCCOc1cccoc1=O 7a_100000077404_100000730899 [0,1,0,0,0,1|2,0,0]=4 11052 B14R1.882 COCCCCOc1coccc1=O 34a_100000060831_100000755781 [0,1,0,0,0,1|2,0,0]=4 11053 B14R1.882 O=c1ccocc1OCCCCCF 34a_100000060831_100000729378 [0,1,0,0,0,1|2,0,0]=4 11054 B14R1.882 O=c1ccocc1OCCCCCO 34a_100000060831_100000746330 [0,1,0,0,0,1|2,0,0]=4 11055 B14R1.882 O=c1occcc1OCCCCCF 34a_100000077404_100000729378 [0,1,0,0,0,1|2,0,0]=4 11056 B14R1.882 O=c1occcc1OCCCCCF 7a_100000077404_100000729378 [0,1,0,0,0,1|2,0,0]=4 11057 B14R1.882 O=c1occcc1OCCCCCO 34a_100000077404_100000746330 [0,1,0,0,0,1|2,0,0]=4 11058 B14R1.882 O=c1occcc1OCCCCCO 7a_100000077404_100000746330 [0,1,0,0,0,1|2,0,0]=4 11059 B14R1.37 CCCCCCC(O)c1nc(no1)C 270196a_100000212224_100011215828 [0,2,0,0,0,0|2,0,0]=4 11060 B14R1.37 CCCCCNC(C)c1cc(cs1)Br 2230a_100159270200_100000210326 [0,2,0,0,0,0|1,1,0]=4 11061 B14R1.37 CCCCCNC(C)c1cc(cs1)Br 269862a_100000209983_100000718618 [0,2,0,0,0,0|1,1,0]=4 11062 B14R1.37 CCCCCNC(C)c1cc(cs1)Br 34a_100159270200_100000718602 [0,2,0,0,0,0|1,1,0]=4 11063 B14R1.37 CCCCCNC(C)c1cc(cs1)C 269862a_100000209983_100000034720 [0,2,0,0,0,0|1,1,0]=4 11064 B14R1.37 CCCCCNC(C)c1cc(cs1)Cl 269862a_100000209983_100000061699 [0,2,0,0,0,0|1,1,0]=4 11065 B14R1.37 CCCCCNC(C)c1ccc([nH]1)Br 269862a_100000209983_200010494458 [0,2,0,0,0,0|2,0,0]=4 11066 B14R1.37 CCCCCNC(C)c1ccc(o1)C 269862a_100000209983_100000204583 [0,2,0,0,0,0|1,0,0]=3 11067 B14R1.37 CCCCCNC(C)c1ccc(s1)Br 2230a_100102723530_100000210326 [0,2,0,0,0,0|1,1,0]=4 11068 B14R1.37 CCCCCNC(C)c1ccc(s1)Br 269862a_100000209983_100000183331 [0,2,0,0,0,0|1,1,0]=4 11069 B14R1.37 CCCCCNC(C)c1ccc(s1)C 269862a_100000209983_100000195387 [0,2,0,0,0,0|1,1,0]=4 11070 B14R1.37 CCCCCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000210326 [0,2,0,0,0,0|1,1,0]=4 11071 B14R1.37 CCCCCNC(C)c1ccc(s1)Cl 269862a_100000209983_100000182421 [0,2,0,0,0,0|1,1,0]=4 11072 B14R1.37 CCCCCNC(C)c1ccc(s1)I 269862a_100000209983_200000034408 [0,2,0,0,0,0|1,1,0]=4 11073 B14R1.37 CCCCCNC(C)c1nc(co1)C 270004a_100000209983_100009826828 [0,2,0,0,0,0|2,0,0]=4 11074 B14R1.37 CCCNCCC(C)c1ccc(o1)C 270004a_100020643023_200000043041 [0,2,0,0,0,0|1,0,0]=3 11075 B14R1.37 CCOCCNC(C)c1ccc(o1)C 269862a_100011200944_100000204583 [0,2,0,0,0,0|2,0,0]=4 11076 B14R1.37 CCSCCNC(C)c1ccc(o1)C 269862a_100000106463_100000204583 [0,2,0,0,0,0|2,0,0]=4 11077 B14R1.37 COCCCNC(C)c1ccc(o1)C 269862a_100150723488_100000204583 [0,2,0,0,0,0|2,0,0]=4 11078 B14R1.37 CSCCCNC(C)c1ccc(o1)C 269862a_100000749238_100000204583 [0,2,0,0,0,0|2,0,0]=4 11079 B14R1.37 Cc1ccc(o1)C(C)CCNCCO 270004a_100000210304_200000043041 [0,2,0,0,0,0|2,0,0]=4 11080 B14R1.37 Cc1ccc(o1)C(C)NCCCCO 269862a_100000750430_100000204583 [0,2,0,0,0,0|2,0,0]=4 11081 B14R1.122 BrCCCCCOCc1cc(cs1)Br 34a_100000746331_100000746031 [0,2,0,0,0,0|1,1,0]=4 11082 B14R1.122 BrCCCCCOCc1cc(cs1)Br 7a_100000746331_100000746031 [0,2,0,0,0,0|1,1,0]=4 11083 B14R1.122 BrCCCCCOCc1cc(no1)Br 7a_100000746331_100000709089 [0,2,0,0,0,0|2,0,0]=4 11084 B14R1.122 BrCCCCCOCc1ccc(s1)Br 34a_100000746331_100000708592 [0,2,0,0,0,0|1,1,0]=4 11085 B14R1.122 BrCCCCCOCc1ccc(s1)Br 7a_100000746331_100000708592 [0,2,0,0,0,0|1,1,0]=4 11086 B14R1.122 Brc1cc(on1)COCCCCCI 7a_200012148887_100000709089 [0,2,0,0,0,0|2,0,0]=4 11087 B14R1.122 Brc1ccc(s1)COCCCCCI 34a_200012148887_100000708592 [0,2,0,0,0,0|1,1,0]=4 11088 B14R1.122 Brc1ccc(s1)COCCCCCI 7a_200012148887_100000708592 [0,2,0,0,0,0|1,1,0]=4 11089 B14R1.122 Brc1csc(c1)COCCCCCI 34a_200012148887_100000746031 [0,2,0,0,0,0|1,1,0]=4 11090 B14R1.122 Brc1csc(c1)COCCCCCI 7a_200012148887_100000746031 [0,2,0,0,0,0|1,1,0]=4 11091 B14R1.122 C#CCCCCNCc1ccc(o1)Br 207a_100000706060_100000185145 [0,2,0,0,0,0|0,0,2]=4 11092 B14R1.122 C#CCCCCNCc1ccc(o1)Br 34a_100000708654_100010269958 [0,2,0,0,0,0|0,0,2]=4 11093 B14R1.122 C#CCCCCNCc1ccc(o1)C 207a_100000706060_100000183696 [0,2,0,0,0,0|0,0,2]=4 11094 B14R1.122 C#CCCCCNCc1ccc(o1)C 34a_100011194323_100010269958 [0,2,0,0,0,0|0,0,2]=4 11095 B14R1.122 C#CCCCCNCc1ccc(o1)Cl 207a_100000706060_100000188459 [0,2,0,0,0,0|0,0,2]=4 11096 B14R1.122 C#CCCCCNCc1ccc(o1)I 207a_100000706060_100000186757 [0,2,0,0,0,0|0,0,2]=4 11097 B14R1.122 C#CCCCCOCc1ccc(o1)Br 34a_100000246276_100010269958 [0,2,0,0,0,0|0,0,2]=4 11098 B14R1.122 C#CCCCCOCc1ccc(o1)Br 7a_100000246276_100010269958 [0,2,0,0,0,0|0,0,2]=4 11099 B14R1.122 C#CCCCCOCc1ccc(o1)C 34a_100011232665_100010269958 [0,2,0,0,0,0|0,0,2]=4 11100 B14R1.122 C#CCCCCOCc1ccc(o1)C 7a_100011232665_100010269958 [0,2,0,0,0,0|0,0,2]=4 11101 B14R1.122 C#CCCCNCCc1ccc(o1)C 2230a_100000739271_100000731252 [0,2,0,0,0,0|0,0,2]=4 11102 B14R1.122 C#CCCCNCCc1ccc(o1)C 34a_100000739271_100000695029 [0,2,0,0,0,0|0,0,2]=4 11103 B14R1.122 C#CCCCOCCc1ccc(o1)C 34a_100012161071_100000695029 [0,2,0,0,0,0|0,0,2]=4 11104 B14R1.122 C#CCCCOCCc1ccc(o1)C 7a_100012161071_100011215417 [0,2,0,0,0,0|0,0,2]=4 11105 B14R1.122 C=CCCCCNCc1cc(co1)Br 270004a_100000703577_100000747035 [0,2,0,0,0,0|0,0,2]=4 11106 B14R1.122 C=CCCCCNCc1ccc(o1)Br 207a_100000703577_100000185145 [0,2,0,0,0,0|0,0,2]=4 11107 B14R1.122 C=CCCCCNCc1ccc(o1)Br 270004a_100000703577_100000185145 [0,2,0,0,0,0|0,0,2]=4 11108 B14R1.122 C=CCCCCNCc1ccc(o1)Br 34a_100000708654_100011215482 [0,2,0,0,0,0|0,0,2]=4 11109 B14R1.122 C=CCCCCNCc1ccc(o1)C 207a_100000703577_100000183696 [0,2,0,0,0,0|0,0,2]=4 11110 B14R1.122 C=CCCCCNCc1ccc(o1)C 270004a_100000703577_100000183696 [0,2,0,0,0,0|0,0,2]=4 11111 B14R1.122 C=CCCCCNCc1ccc(o1)C 34a_100011194323_100011215482 [0,2,0,0,0,0|0,0,2]=4 11112 B14R1.122 C=CCCCCNCc1ccc(o1)Cl 207a_100000703577_100000188459 [0,2,0,0,0,0|0,0,2]=4 11113 B14R1.122 C=CCCCCNCc1ccc(o1)Cl 270004a_100000703577_100000188459 [0,2,0,0,0,0|0,0,2]=4 11114 B14R1.122 C=CCCCCNCc1ccc(o1)I 207a_100000703577_100000186757 [0,2,0,0,0,0|0,0,2]=4 11115 B14R1.122 C=CCCCCOCc1ccc(o1)Br 34a_100000246276_100011215482 [0,2,0,0,0,0|0,0,2]=4 11116 B14R1.122 C=CCCCCOCc1ccc(o1)Br 7a_100000246276_100011215482 [0,2,0,0,0,0|0,0,2]=4 11117 B14R1.122 C=CCCCCOCc1ccc(o1)C 34a_100011232665_100011215482 [0,2,0,0,0,0|0,0,2]=4 11118 B14R1.122 C=CCCCCOCc1ccc(o1)C 7a_100011232665_100011215482 [0,2,0,0,0,0|0,0,2]=4 11119 B14R1.122 C=CCCCNCCc1ccc(o1)C 2230a_100000739271_100011713584 [0,2,0,0,0,0|0,0,2]=4 11120 B14R1.122 C=CCCCNCCc1ccc(o1)C 34a_100000739271_100000757094 [0,2,0,0,0,0|0,0,2]=4 11121 B14R1.122 C=CCCCOCCc1ccc(o1)C 34a_100012161071_100000757094 [0,2,0,0,0,0|0,0,2]=4 11122 B14R1.122 C=CCCCOCCc1ccc(o1)C 7a_100012161071_100000757094 [0,2,0,0,0,0|0,0,2]=4 11123 B14R1.122 CC/C=C\CCNCc1ccc(o1)Br 34a_100000708654_100015370543 [0,2,0,0,0,0|0,0,2]=4 11124 B14R1.122 CC/C=C\CCNCc1ccc(o1)C 34a_100011194323_100015370543 [0,2,0,0,0,0|0,0,2]=4 11125 B14R1.122 CC/C=C\CCOCc1ccc(o1)Br 34a_100000246276_100015370543 [0,2,0,0,0,0|0,0,2]=4 11126 B14R1.122 CC/C=C\CCOCc1ccc(o1)Br 7a_100000246276_100015370543 [0,2,0,0,0,0|0,0,2]=4 11127 B14R1.122 CC/C=C\CCOCc1ccc(o1)C 34a_100011232665_100015370543 [0,2,0,0,0,0|0,0,2]=4 11128 B14R1.122 CC/C=C\CCOCc1ccc(o1)C 7a_100011232665_100015370543 [0,2,0,0,0,0|0,0,2]=4 11129 B14R1.122 CC/C=C\CNCCc1ccc(o1)C 2230a_100000739271_100103147603 [0,2,0,0,0,0|0,0,2]=4 11130 B14R1.122 CC/C=C\CNCCc1ccc(o1)C 34a_100000739271_100103147603 [0,2,0,0,0,0|0,0,2]=4 11131 B14R1.122 CC/C=C\COCCc1ccc(o1)C 34a_100012161071_100103147603 [0,2,0,0,0,0|0,0,2]=4 11132 B14R1.122 CC/C=C\COCCc1ccc(o1)C 7a_100012161071_100103147603 [0,2,0,0,0,0|0,0,2]=4 11133 B14R1.122 CCC#CCNCCc1ccc(o1)C 2230a_100000739271_100009813939 [0,2,0,0,0,0|0,0,2]=4 11134 B14R1.122 CCC#CCNCCc1ccc(o1)C 34a_100000739271_100009813939 [0,2,0,0,0,0|0,0,2]=4 11135 B14R1.122 CCC#CCOCCc1ccc(o1)C 34a_100012161071_100009813939 [0,2,0,0,0,0|0,0,2]=4 11136 B14R1.122 CCC#CCOCCc1ccc(o1)C 7a_100012161071_100009813939 [0,2,0,0,0,0|0,0,2]=4 11137 B14R1.122 CCCCCCC=Cc1cc(cs1)C 271570a_200015348155_100009876951 [0,2,0,0,0,0|0,1,1]=4 11138 B14R1.122 CCCCCCC=Cc1ccc(s1)Br 271570a_200015348155_100010197418 [0,2,0,0,0,0|0,1,1]=4 11139 B14R1.122 CCCCCCC=Cc1ccc(s1)C 271570a_200015348155_100000761539 [0,2,0,0,0,0|0,1,1]=4 11140 B14R1.122 CCCCCCCCc1nc(no1)C 270196a_100000212224_100000210188 [0,2,0,0,0,0|2,0,0]=4 11141 B14R1.122 CCCCCCCNc1nnc(o1)C 27a_100000229938_100000708914 [0,2,0,0,0,0|2,0,0]=4 11142 B14R1.122 CCCCCCCOc1ccn(n1)C 34a_100012642153_100000210614 [0,2,0,0,0,0|2,0,0]=4 11143 B14R1.122 CCCCCCCSc1c[nH]c(n1)C 62a_100000210614_100009814057 [0,2,0,0,0,0|2,0,0]=4 11144 B14R1.122 CCCCCCCSc1c[nH]c(n1)C 62a_100009814057_100000210316 [0,2,0,0,0,0|2,0,0]=4 11145 B14R1.122 CCCCCCCSc1cc([nH]n1)C 62a_100000210614_100009819999 [0,2,0,0,0,0|2,0,0]=4 11146 B14R1.122 CCCCCCCSc1cc([nH]n1)C 62a_100009819999_100000210316 [0,2,0,0,0,0|2,0,0]=4 11147 B14R1.122 CCCCCCCSc1cc([nH]n1)N 62a_100000210614_100009822546 [0,2,0,0,0,0|2,0,0]=4 11148 B14R1.122 CCCCCCCSc1cc([nH]n1)N 62a_100009822546_100000210316 [0,2,0,0,0,0|2,0,0]=4 11149 B14R1.122 CCCCCCCSc1cc(cs1)C 62a_100000210614_100009876951 [0,2,0,0,0,0|0,1,0]=3 11150 B14R1.122 CCCCCCCSc1cc(cs1)C 62a_100009876951_100000210316 [0,2,0,0,0,0|0,1,0]=3 11151 B14R1.122 CCCCCCCSc1cc(n[nH]1)Br 62a_100000210614_100160470719 [0,2,0,0,0,0|2,0,0]=4 11152 B14R1.122 CCCCCCCSc1cc(n[nH]1)Br 62a_100160470719_100000210316 [0,2,0,0,0,0|2,0,0]=4 11153 B14R1.122 CCCCCCCSc1cc(ns1)C 62a_100000210614_100009815735 [0,2,0,0,0,0|1,1,0]=4 11154 B14R1.122 CCCCCCCSc1cc(ns1)C 62a_100009815735_100000210316 [0,2,0,0,0,0|1,1,0]=4 11155 B14R1.122 CCCCCCCSc1cc(on1)C 62a_100000210614_100000716708 [0,2,0,0,0,0|2,0,0]=4 11156 B14R1.122 CCCCCCCSc1cc(on1)C 62a_100000716708_100000210316 [0,2,0,0,0,0|2,0,0]=4 11157 B14R1.122 CCCCCCCSc1ccc(s1)Br 62a_100000210614_100010197418 [0,2,0,0,0,0|0,1,0]=3 11158 B14R1.122 CCCCCCCSc1ccc(s1)Br 62a_100010197418_100000210316 [0,2,0,0,0,0|0,1,0]=3 11159 B14R1.122 CCCCCCCSc1ccc(s1)C 62a_100000031368_100000210316 [0,2,0,0,0,0|0,1,0]=3 11160 B14R1.122 CCCCCCCSc1ccc(s1)C 62a_100000210614_100000031368 [0,2,0,0,0,0|0,1,0]=3 11161 B14R1.122 CCCCCCCSc1ccn(n1)C 62a_100000210614_100000752436 [0,2,0,0,0,0|2,0,0]=4 11162 B14R1.122 CCCCCCCSc1ccn(n1)C 62a_100000752436_100000210316 [0,2,0,0,0,0|2,0,0]=4 11163 B14R1.122 CCCCCCCSc1cn(cn1)C 62a_100000040308_100000210316 [0,2,0,0,0,0|2,0,0]=4 11164 B14R1.122 CCCCCCCSc1cn(cn1)C 62a_100000210614_100000040308 [0,2,0,0,0,0|2,0,0]=4 11165 B14R1.122 CCCCCCCSc1cnc(s1)Br 62a_100000210614_100012357534 [0,2,0,0,0,0|1,1,0]=4 11166 B14R1.122 CCCCCCCSc1cnc(s1)Br 62a_100012357534_100000210316 [0,2,0,0,0,0|1,1,0]=4 11167 B14R1.122 CCCCCCCSc1cnc(s1)C 62a_100000210614_100000764884 [0,2,0,0,0,0|1,1,0]=4 11168 B14R1.122 CCCCCCCSc1cnc(s1)C 62a_100000764884_100000210316 [0,2,0,0,0,0|1,1,0]=4 11169 B14R1.122 CCCCCCCSc1cnc(s1)N 62a_100000210614_100000718969 [0,2,0,0,0,0|1,1,0]=4 11170 B14R1.122 CCCCCCCSc1cnc(s1)N 62a_100000718969_100000210316 [0,2,0,0,0,0|1,1,0]=4 11171 B14R1.122 CCCCCCCSc1csc(c1)C 62a_100000210614_100000759034 [0,2,0,0,0,0|2,0,0]=4 11172 B14R1.122 CCCCCCCSc1csc(c1)C 62a_100000759034_100000210316 [0,2,0,0,0,0|2,0,0]=4 11173 B14R1.122 CCCCCCCSc1csc(n1)C 62a_100000210614_100011934587 [0,2,0,0,0,0|2,0,0]=4 11174 B14R1.122 CCCCCCCSc1csc(n1)C 62a_100011934587_100000210316 [0,2,0,0,0,0|2,0,0]=4 11175 B14R1.122 CCCCCCCSc1csc(n1)N 62a_100000210614_100011998049 [0,2,0,0,0,0|2,0,0]=4 11176 B14R1.122 CCCCCCCSc1csc(n1)N 62a_100011998049_100000210316 [0,2,0,0,0,0|2,0,0]=4 11177 B14R1.122 CCCCCCCSc1nc(c[nH]1)C 62a_100000210614_100161115468 [0,2,0,0,0,0|2,0,0]=4 11178 B14R1.122 CCCCCCCSc1nc(c[nH]1)C 62a_100161115468_100000210316 [0,2,0,0,0,0|2,0,0]=4 11179 B14R1.122 CCCCCCCSc1nc(cs1)Br 62a_100000210614_200016082925 [0,2,0,0,0,0|1,1,0]=4 11180 B14R1.122 CCCCCCCSc1nc(cs1)Br 62a_200016082925_100000210316 [0,2,0,0,0,0|1,1,0]=4 11181 B14R1.122 CCCCCCCSc1nc(cs1)C 62a_100000210614_100011291629 [0,2,0,0,0,0|1,1,0]=4 11182 B14R1.122 CCCCCCCSc1nc(cs1)C 62a_100011291629_100000210316 [0,2,0,0,0,0|1,1,0]=4 11183 B14R1.122 CCCCCCCSc1nc(cs1)N 62a_100000210614_200015188442 [0,2,0,0,0,0|1,1,0]=4 11184 B14R1.122 CCCCCCCSc1nc(cs1)N 62a_200015188442_100000210316 [0,2,0,0,0,0|1,1,0]=4 11185 B14R1.122 CCCCCCCSc1ncc(s1)C 62a_100000210614_100000690809 [0,2,0,0,0,0|1,1,0]=4 11186 B14R1.122 CCCCCCCSc1ncc(s1)C 62a_100000690809_100000210316 [0,2,0,0,0,0|1,1,0]=4 11187 B14R1.122 CCCCCCCSc1nnc(o1)C 62a_100000210614_100000708914 [0,2,0,0,0,0|2,0,0]=4 11188 B14R1.122 CCCCCCNCc1c[nH]c(n1)C 207a_100000210581_100011219055 [0,2,0,0,0,0|2,0,0]=4 11189 B14R1.122 CCCCCCNCc1cc(c[nH]1)Br 270004a_100000210581_100000720742 [0,2,0,0,0,0|1,0,0]=3 11190 B14R1.122 CCCCCCNCc1cc(co1)Br 270004a_100000210581_100000747035 [0,2,0,0,0,0|0,0,0]=2 11191 B14R1.122 CCCCCCNCc1cc(cs1)Br 207a_100000210581_100000211722 [0,2,0,0,0,0|0,1,0]=3 11192 B14R1.122 CCCCCCNCc1cc(cs1)Br 2230a_100000210581_100000746031 [0,2,0,0,0,0|0,1,0]=3 11193 B14R1.122 CCCCCCNCc1cc(cs1)Br 2230a_100000741024_100000210314 [0,2,0,0,0,0|0,1,0]=3 11194 B14R1.122 CCCCCCNCc1cc(cs1)Br 270004a_100000210581_100000211722 [0,2,0,0,0,0|0,1,0]=3 11195 B14R1.122 CCCCCCNCc1cc(cs1)Br 34a_100000741024_100000210314 [0,2,0,0,0,0|0,1,0]=3 11196 B14R1.122 CCCCCCNCc1cc(cs1)C 207a_100000210581_100102525248 [0,2,0,0,0,0|0,1,0]=3 11197 B14R1.122 CCCCCCNCc1cc(cs1)C 2230a_100015204214_100000210314 [0,2,0,0,0,0|0,1,0]=3 11198 B14R1.122 CCCCCCNCc1cc(cs1)C 270004a_100000210581_100102525248 [0,2,0,0,0,0|0,1,0]=3 11199 B14R1.122 CCCCCCNCc1cc(cs1)C 34a_100015204214_100000210314 [0,2,0,0,0,0|0,1,0]=3 11200 B14R1.122 CCCCCCNCc1cc(cs1)Cl 207a_100000210581_100000102487 [0,2,0,0,0,0|0,1,0]=3 11201 B14R1.122 CCCCCCNCc1cc(cs1)Cl 270004a_100000210581_100000102487 [0,2,0,0,0,0|0,1,0]=3 11202 B14R1.122 CCCCCCNCc1cc(cs1)I 207a_100000210581_100010179861 [0,2,0,0,0,0|0,1,0]=3 11203 B14R1.122 CCCCCCNCc1cc(n[nH]1)C 207a_100000210581_100000028150 [0,2,0,0,0,0|2,0,0]=4 11204 B14R1.122 CCCCCCNCc1cc(n[nH]1)C 270004a_100000210581_100000028150 [0,2,0,0,0,0|2,0,0]=4 11205 B14R1.122 CCCCCCNCc1cc(no1)Br 2230a_100015193020_100000210314 [0,2,0,0,0,0|1,0,0]=3 11206 B14R1.122 CCCCCCNCc1cc(no1)Br 270004a_100000210581_100009819588 [0,2,0,0,0,0|1,0,0]=3 11207 B14R1.122 CCCCCCNCc1cc(no1)Br 34a_100015193020_100000210314 [0,2,0,0,0,0|1,0,0]=3 11208 B14R1.122 CCCCCCNCc1cc(no1)C 207a_100000210581_100011794430 [0,2,0,0,0,0|1,0,0]=3 11209 B14R1.122 CCCCCCNCc1cc(no1)C 2230a_100000210581_100000707947 [0,2,0,0,0,0|1,0,0]=3 11210 B14R1.122 CCCCCCNCc1cc(no1)C 2230a_100000745748_100000210314 [0,2,0,0,0,0|1,0,0]=3 11211 B14R1.122 CCCCCCNCc1cc(no1)C 270004a_100000210581_100011794430 [0,2,0,0,0,0|1,0,0]=3 11212 B14R1.122 CCCCCCNCc1cc(no1)C 34a_100000745748_100000210314 [0,2,0,0,0,0|1,0,0]=3 11213 B14R1.122 CCCCCCNCc1cc(on1)C 207a_100000210581_100011217994 [0,2,0,0,0,0|2,0,0]=4 11214 B14R1.122 CCCCCCNCc1cc(on1)C 2230a_100000210581_100000199038 [0,2,0,0,0,0|2,0,0]=4 11215 B14R1.122 CCCCCCNCc1cc(on1)C 2230a_100000745230_100000210314 [0,2,0,0,0,0|2,0,0]=4 11216 B14R1.122 CCCCCCNCc1cc(on1)C 270004a_100000210581_100011217994 [0,2,0,0,0,0|2,0,0]=4 11217 B14R1.122 CCCCCCNCc1cc(on1)C 34a_100000745230_100000210314 [0,2,0,0,0,0|2,0,0]=4 11218 B14R1.122 CCCCCCNCc1cc(sn1)C 207a_100000210581_200000100279 [0,2,0,0,0,0|2,0,0]=4 11219 B14R1.122 CCCCCCNCc1cc(sn1)C 270004a_100000210581_200000100279 [0,2,0,0,0,0|2,0,0]=4 11220 B14R1.122 CCCCCCNCc1ccc(o1)Br 207a_100000210581_100000185145 [0,2,0,0,0,0|0,0,0]=2 11221 B14R1.122 CCCCCCNCc1ccc(o1)Br 270004a_100000210581_100000185145 [0,2,0,0,0,0|0,0,0]=2 11222 B14R1.122 CCCCCCNCc1ccc(o1)Br 34a_100000708654_100000210314 [0,2,0,0,0,0|0,0,0]=2 11223 B14R1.122 CCCCCCNCc1ccc(o1)C 207a_100000210581_100000183696 [0,2,0,0,0,0|0,0,0]=2 11224 B14R1.122 CCCCCCNCc1ccc(o1)C 270004a_100000210581_100000183696 [0,2,0,0,0,0|0,0,0]=2 11225 B14R1.122 CCCCCCNCc1ccc(o1)C 34a_100011194323_100000210314 [0,2,0,0,0,0|0,0,0]=2 11226 B14R1.122 CCCCCCNCc1ccc(o1)Cl 207a_100000210581_100000188459 [0,2,0,0,0,0|0,0,0]=2 11227 B14R1.122 CCCCCCNCc1ccc(o1)Cl 270004a_100000210581_100000188459 [0,2,0,0,0,0|0,0,0]=2 11228 B14R1.122 CCCCCCNCc1ccc(o1)I 207a_100000210581_100000186757 [0,2,0,0,0,0|0,0,0]=2 11229 B14R1.122 CCCCCCNCc1ccc(s1)Br 207a_100000210581_100000179771 [0,2,0,0,0,0|0,1,0]=3 11230 B14R1.122 CCCCCCNCc1ccc(s1)Br 2230a_100000210581_100000708592 [0,2,0,0,0,0|0,1,0]=3 11231 B14R1.122 CCCCCCNCc1ccc(s1)Br 270004a_100000210581_100000179771 [0,2,0,0,0,0|0,1,0]=3 11232 B14R1.122 CCCCCCNCc1ccc(s1)C 207a_100000210581_100000211121 [0,2,0,0,0,0|0,1,0]=3 11233 B14R1.122 CCCCCCNCc1ccc(s1)C 2230a_100000238518_100000210314 [0,2,0,0,0,0|0,1,0]=3 11234 B14R1.122 CCCCCCNCc1ccc(s1)C 270004a_100000210581_100000211121 [0,2,0,0,0,0|0,1,0]=3 11235 B14R1.122 CCCCCCNCc1ccc(s1)Cl 207a_100000210581_100000242774 [0,2,0,0,0,0|0,1,0]=3 11236 B14R1.122 CCCCCCNCc1ccc(s1)Cl 2230a_100000210581_100000185097 [0,2,0,0,0,0|0,1,0]=3 11237 B14R1.122 CCCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000210314 [0,2,0,0,0,0|0,1,0]=3 11238 B14R1.122 CCCCCCNCc1ccc(s1)Cl 270004a_100000210581_100000242774 [0,2,0,0,0,0|0,1,0]=3 11239 B14R1.122 CCCCCCNCc1ccn(n1)C 207a_100000210581_100000750880 [0,2,0,0,0,0|2,0,0]=4 11240 B14R1.122 CCCCCCNCc1ccn(n1)C 2230a_100000210581_100000726502 [0,2,0,0,0,0|2,0,0]=4 11241 B14R1.122 CCCCCCNCc1ccn(n1)C 2230a_100020636201_100000210314 [0,2,0,0,0,0|2,0,0]=4 11242 B14R1.122 CCCCCCNCc1ccn(n1)C 270004a_100000210581_100000750880 [0,2,0,0,0,0|2,0,0]=4 11243 B14R1.122 CCCCCCNCc1ccn(n1)C 34a_100020636201_100000210314 [0,2,0,0,0,0|2,0,0]=4 11244 B14R1.122 CCCCCCNCc1cn(cn1)C 207a_100000210581_100000684808 [0,2,0,0,0,0|2,0,0]=4 11245 B14R1.122 CCCCCCNCc1cn(cn1)C 2230a_100000210581_100000717665 [0,2,0,0,0,0|2,0,0]=4 11246 B14R1.122 CCCCCCNCc1cn(cn1)C 270004a_100000210581_100000684808 [0,2,0,0,0,0|2,0,0]=4 11247 B14R1.122 CCCCCCNCc1cnc(o1)C 207a_100000210581_100000084308 [0,2,0,0,0,0|1,0,0]=3 11248 B14R1.122 CCCCCCNCc1cnc(o1)C 270004a_100000210581_100000084308 [0,2,0,0,0,0|1,0,0]=3 11249 B14R1.122 CCCCCCNCc1cnc(s1)Br 2230a_100000210581_100000717027 [0,2,0,0,0,0|1,1,0]=4 11250 B14R1.122 CCCCCCNCc1cnc(s1)Br 2230a_100000726991_100000210314 [0,2,0,0,0,0|1,1,0]=4 11251 B14R1.122 CCCCCCNCc1cnc(s1)Br 270004a_100000210581_100009814069 [0,2,0,0,0,0|1,1,0]=4 11252 B14R1.122 CCCCCCNCc1cnc(s1)C 207a_100000210581_100000740557 [0,2,0,0,0,0|1,1,0]=4 11253 B14R1.122 CCCCCCNCc1cnc(s1)C 2230a_100000210581_100020635045 [0,2,0,0,0,0|1,1,0]=4 11254 B14R1.122 CCCCCCNCc1cnc(s1)C 2230a_200000743601_100000210314 [0,2,0,0,0,0|1,1,0]=4 11255 B14R1.122 CCCCCCNCc1cnc(s1)C 270004a_100000210581_100000740557 [0,2,0,0,0,0|1,1,0]=4 11256 B14R1.122 CCCCCCNCc1cnc(s1)Cl 2230a_100000210581_100000058068 [0,2,0,0,0,0|1,1,0]=4 11257 B14R1.122 CCCCCCNCc1cnc(s1)Cl 2230a_100000726635_100000210314 [0,2,0,0,0,0|1,1,0]=4 11258 B14R1.122 CCCCCCNCc1cnc(s1)Cl 270004a_100000210581_100000696999 [0,2,0,0,0,0|1,1,0]=4 11259 B14R1.122 CCCCCCNCc1coc(n1)C 207a_100000210581_100011361629 [0,2,0,0,0,0|2,0,0]=4 11260 B14R1.122 CCCCCCNCc1coc(n1)C 270004a_100000210581_100011361629 [0,2,0,0,0,0|2,0,0]=4 11261 B14R1.122 CCCCCCNCc1csc(c1)Br 207a_100000210581_100000737087 [0,2,0,0,0,0|2,0,0]=4 11262 B14R1.122 CCCCCCNCc1csc(c1)Br 270004a_100000210581_100000737087 [0,2,0,0,0,0|2,0,0]=4 11263 B14R1.122 CCCCCCNCc1csc(c1)C 207a_100000210581_100011998532 [0,2,0,0,0,0|2,0,0]=4 11264 B14R1.122 CCCCCCNCc1csc(c1)C 270004a_100000210581_100011998532 [0,2,0,0,0,0|2,0,0]=4 11265 B14R1.122 CCCCCCNCc1csc(c1)Cl 207a_100000210581_100009844934 [0,2,0,0,0,0|2,0,0]=4 11266 B14R1.122 CCCCCCNCc1csc(c1)Cl 270004a_100000210581_100009844934 [0,2,0,0,0,0|2,0,0]=4 11267 B14R1.122 CCCCCCNCc1csc(n1)Br 270004a_100000210581_100009816748 [0,2,0,0,0,0|2,0,0]=4 11268 B14R1.122 CCCCCCNCc1csc(n1)C 207a_100000210581_100000203724 [0,2,0,0,0,0|2,0,0]=4 11269 B14R1.122 CCCCCCNCc1csc(n1)C 2230a_100000210581_100015186478 [0,2,0,0,0,0|2,0,0]=4 11270 B14R1.122 CCCCCCNCc1csc(n1)C 270004a_100000210581_100000203724 [0,2,0,0,0,0|2,0,0]=4 11271 B14R1.122 CCCCCCNCc1csc(n1)C 34a_100000707933_100000210314 [0,2,0,0,0,0|2,0,0]=4 11272 B14R1.122 CCCCCCNCc1csc(n1)Cl 2230a_100000210581_100000024076 [0,2,0,0,0,0|2,0,0]=4 11273 B14R1.122 CCCCCCNCc1csc(n1)Cl 270004a_100000210581_100011935135 [0,2,0,0,0,0|2,0,0]=4 11274 B14R1.122 CCCCCCNCc1nc(c[nH]1)C 207a_100000210581_100000082322 [0,2,0,0,0,0|2,0,0]=4 11275 B14R1.122 CCCCCCNCc1nc(c[nH]1)C 270004a_100000210581_100000082322 [0,2,0,0,0,0|2,0,0]=4 11276 B14R1.122 CCCCCCNCc1nc(cs1)Br 270004a_100000210581_100009816814 [0,2,0,0,0,0|1,1,0]=4 11277 B14R1.122 CCCCCCNCc1nc(cs1)C 207a_100000210581_100000756994 [0,2,0,0,0,0|1,1,0]=4 11278 B14R1.122 CCCCCCNCc1nc(cs1)C 2230a_100015183719_100000210314 [0,2,0,0,0,0|1,1,0]=4 11279 B14R1.122 CCCCCCNCc1nc(cs1)C 270004a_100000210581_100000756994 [0,2,0,0,0,0|1,1,0]=4 11280 B14R1.122 CCCCCCNCc1nc(no1)C 2230a_100000210581_100000735555 [0,2,0,0,0,0|2,0,0]=4 11281 B14R1.122 CCCCCCNCc1ncc(o1)C 2230a_100138411809_100000210314 [0,2,0,0,0,0|1,0,0]=3 11282 B14R1.122 CCCCCCNCc1ncc(o1)C 34a_100138411809_100000210314 [0,2,0,0,0,0|1,0,0]=3 11283 B14R1.122 CCCCCCNCc1ncc(s1)Br 270004a_100000210581_100000699580 [0,2,0,0,0,0|1,1,0]=4 11284 B14R1.122 CCCCCCNCc1ncc(s1)C 207a_100000210581_100011361622 [0,2,0,0,0,0|1,1,0]=4 11285 B14R1.122 CCCCCCNCc1ncc(s1)C 270004a_100000210581_100011361622 [0,2,0,0,0,0|1,1,0]=4 11286 B14R1.122 CCCCCCNCc1ncc(s1)Cl 270004a_100000210581_100000699884 [0,2,0,0,0,0|1,1,0]=4 11287 B14R1.122 CCCCCCNCc1nnc(o1)C 2230a_100000210581_100000181450 [0,2,0,0,0,0|2,0,0]=4 11288 B14R1.122 CCCCCCNCc1nnc(o1)C 2230a_200000236979_100000210314 [0,2,0,0,0,0|2,0,0]=4 11289 B14R1.122 CCCCCCNCc1nnc(o1)C 34a_200000236979_100000210314 [0,2,0,0,0,0|2,0,0]=4 11290 B14R1.122 CCCCCCOCC1=CC(=O)OC1 34a_100000210259_100000716558 [0,2,0,0,0,0|2,0,0]=4 11291 B14R1.122 CCCCCCOCc1cc(cs1)Br 34a_100000210259_100000746031 [0,2,0,0,0,0|0,1,0]=3 11292 B14R1.122 CCCCCCOCc1cc(cs1)Br 34a_100000238369_100000210314 [0,2,0,0,0,0|0,1,0]=3 11293 B14R1.122 CCCCCCOCc1cc(cs1)Br 7a_100000210259_100000746031 [0,2,0,0,0,0|0,1,0]=3 11294 B14R1.122 CCCCCCOCc1cc(cs1)Br 7a_100000238369_100000210314 [0,2,0,0,0,0|0,1,0]=3 11295 B14R1.122 CCCCCCOCc1cc(cs1)C 34a_200000068372_100000210314 [0,2,0,0,0,0|0,1,0]=3 11296 B14R1.122 CCCCCCOCc1cc(cs1)C 7a_200000068372_100000210314 [0,2,0,0,0,0|0,1,0]=3 11297 B14R1.122 CCCCCCOCc1cc(no1)Br 34a_100009816691_100000210314 [0,2,0,0,0,0|1,0,0]=3 11298 B14R1.122 CCCCCCOCc1cc(no1)Br 7a_100000210259_100000709089 [0,2,0,0,0,0|1,0,0]=3 11299 B14R1.122 CCCCCCOCc1cc(no1)C 34a_100000210259_100000707947 [0,2,0,0,0,0|1,0,0]=3 11300 B14R1.122 CCCCCCOCc1cc(no1)C 34a_100000684692_100000210314 [0,2,0,0,0,0|1,0,0]=3 11301 B14R1.122 CCCCCCOCc1cc(no1)C 7a_100000210259_100000707947 [0,2,0,0,0,0|1,0,0]=3 11302 B14R1.122 CCCCCCOCc1cc(on1)C 34a_100000210259_100000199038 [0,2,0,0,0,0|2,0,0]=4 11303 B14R1.122 CCCCCCOCc1cc(on1)C 34a_100011216401_100000210314 [0,2,0,0,0,0|2,0,0]=4 11304 B14R1.122 CCCCCCOCc1cc(on1)C 7a_100000210259_100000199038 [0,2,0,0,0,0|2,0,0]=4 11305 B14R1.122 CCCCCCOCc1ccc(o1)Br 34a_100000246276_100000210314 [0,2,0,0,0,0|0,0,0]=2 11306 B14R1.122 CCCCCCOCc1ccc(o1)Br 7a_100000246276_100000210314 [0,2,0,0,0,0|0,0,0]=2 11307 B14R1.122 CCCCCCOCc1ccc(o1)C 34a_100011232665_100000210314 [0,2,0,0,0,0|0,0,0]=2 11308 B14R1.122 CCCCCCOCc1ccc(o1)C 7a_100011232665_100000210314 [0,2,0,0,0,0|0,0,0]=2 11309 B14R1.122 CCCCCCOCc1ccc(s1)Br 34a_100000210259_100000708592 [0,2,0,0,0,0|0,1,0]=3 11310 B14R1.122 CCCCCCOCc1ccc(s1)Br 7a_100000210259_100000708592 [0,2,0,0,0,0|0,1,0]=3 11311 B14R1.122 CCCCCCOCc1ccc(s1)C 34a_100000238367_100000210314 [0,2,0,0,0,0|0,1,0]=3 11312 B14R1.122 CCCCCCOCc1ccc(s1)Cl 34a_100000210259_100000185097 [0,2,0,0,0,0|0,1,0]=3 11313 B14R1.122 CCCCCCOCc1ccc(s1)Cl 7a_100000210259_100000185097 [0,2,0,0,0,0|0,1,0]=3 11314 B14R1.122 CCCCCCOCc1ccn(n1)C 34a_100000210259_100000726502 [0,2,0,0,0,0|2,0,0]=4 11315 B14R1.122 CCCCCCOCc1ccn(n1)C 34a_100000744484_100000210314 [0,2,0,0,0,0|2,0,0]=4 11316 B14R1.122 CCCCCCOCc1ccn(n1)C 7a_100000210259_100000726502 [0,2,0,0,0,0|2,0,0]=4 11317 B14R1.122 CCCCCCOCc1cn(cn1)C 34a_100000210259_100000717665 [0,2,0,0,0,0|2,0,0]=4 11318 B14R1.122 CCCCCCOCc1cn(cn1)C 34a_100000710007_100000210314 [0,2,0,0,0,0|2,0,0]=4 11319 B14R1.122 CCCCCCOCc1cn(cn1)C 7a_100000210259_100000717665 [0,2,0,0,0,0|2,0,0]=4 11320 B14R1.122 CCCCCCOCc1cnc(s1)Br 34a_100000210259_100000717027 [0,2,0,0,0,0|1,1,0]=4 11321 B14R1.122 CCCCCCOCc1cnc(s1)Br 7a_100000210259_100000717027 [0,2,0,0,0,0|1,1,0]=4 11322 B14R1.122 CCCCCCOCc1cnc(s1)Br 7a_100009816753_100000210314 [0,2,0,0,0,0|1,1,0]=4 11323 B14R1.122 CCCCCCOCc1cnc(s1)C 34a_100000210259_100020635045 [0,2,0,0,0,0|1,1,0]=4 11324 B14R1.122 CCCCCCOCc1cnc(s1)C 7a_100000210259_100020635045 [0,2,0,0,0,0|1,1,0]=4 11325 B14R1.122 CCCCCCOCc1cnc(s1)C 7a_100000743366_100000210314 [0,2,0,0,0,0|1,1,0]=4 11326 B14R1.122 CCCCCCOCc1cnc(s1)Cl 34a_100000210259_100000058068 [0,2,0,0,0,0|1,1,0]=4 11327 B14R1.122 CCCCCCOCc1cnc(s1)Cl 7a_100000210259_100000058068 [0,2,0,0,0,0|1,1,0]=4 11328 B14R1.122 CCCCCCOCc1cnc(s1)Cl 7a_100000697714_100000210314 [0,2,0,0,0,0|1,1,0]=4 11329 B14R1.122 CCCCCCOCc1cnc(s1)N 7a_100011997359_100000210314 [0,2,0,0,0,0|1,1,0]=4 11330 B14R1.122 CCCCCCOCc1coc(n1)C 34a_100012017233_100000210314 [0,2,0,0,0,0|2,0,0]=4 11331 B14R1.122 CCCCCCOCc1csc(c1)Cl 34a_100009863405_100000210314 [0,2,0,0,0,0|2,0,0]=4 11332 B14R1.122 CCCCCCOCc1csc(c1)Cl 7a_100009863405_100000210314 [0,2,0,0,0,0|2,0,0]=4 11333 B14R1.122 CCCCCCOCc1csc(n1)C 34a_100000210259_100015186478 [0,2,0,0,0,0|2,0,0]=4 11334 B14R1.122 CCCCCCOCc1csc(n1)C 34a_100000735831_100000210314 [0,2,0,0,0,0|2,0,0]=4 11335 B14R1.122 CCCCCCOCc1csc(n1)C 7a_100000210259_100015186478 [0,2,0,0,0,0|2,0,0]=4 11336 B14R1.122 CCCCCCOCc1csc(n1)Cl 34a_100000210259_100000024076 [0,2,0,0,0,0|2,0,0]=4 11337 B14R1.122 CCCCCCOCc1csc(n1)Cl 7a_100000210259_100000024076 [0,2,0,0,0,0|2,0,0]=4 11338 B14R1.122 CCCCCCOCc1nc(cs1)Br 7a_100012000107_100000210314 [0,2,0,0,0,0|1,1,0]=4 11339 B14R1.122 CCCCCCOCc1nc(no1)C 34a_100000210259_100000735555 [0,2,0,0,0,0|2,0,0]=4 11340 B14R1.122 CCCCCCOCc1nc(no1)C 34a_100000749583_100000210314 [0,2,0,0,0,0|2,0,0]=4 11341 B14R1.122 CCCCCCOCc1nc(no1)C 7a_100000210259_100000735555 [0,2,0,0,0,0|2,0,0]=4 11342 B14R1.122 CCCCCCOCc1nnc(o1)C 34a_100000749586_100000210314 [0,2,0,0,0,0|2,0,0]=4 11343 B14R1.122 CCCCCCOCc1nnc(o1)C 7a_100000210259_100000181450 [0,2,0,0,0,0|2,0,0]=4 11344 B14R1.122 CCCCCCOCn1cc(cn1)Cl 34a_100000732729_100000210314 [0,2,0,0,0,0|2,0,0]=4 11345 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000210314_100000716558 [0,2,0,0,0,0|2,0,0]=4 11346 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210757 [0,2,0,0,0,0|2,0,0]=4 11347 B14R1.122 CCCCCCSCc1cc(cs1)Br 62a_100000210314_100000746031 [0,2,0,0,0,0|0,1,0]=3 11348 B14R1.122 CCCCCCSCc1cc(cs1)Br 62a_100000746031_100000210757 [0,2,0,0,0,0|0,1,0]=3 11349 B14R1.122 CCCCCCSCc1cc(no1)Br 62a_100000210314_100000709089 [0,2,0,0,0,0|1,0,0]=3 11350 B14R1.122 CCCCCCSCc1cc(no1)Br 62a_100000709089_100000210757 [0,2,0,0,0,0|1,0,0]=3 11351 B14R1.122 CCCCCCSCc1cc(no1)C 62a_100000210314_100000707947 [0,2,0,0,0,0|1,0,0]=3 11352 B14R1.122 CCCCCCSCc1cc(no1)C 62a_100000707947_100000210757 [0,2,0,0,0,0|1,0,0]=3 11353 B14R1.122 CCCCCCSCc1cc(on1)C 62a_100000199038_100000210757 [0,2,0,0,0,0|2,0,0]=4 11354 B14R1.122 CCCCCCSCc1cc(on1)C 62a_100000210314_100000199038 [0,2,0,0,0,0|2,0,0]=4 11355 B14R1.122 CCCCCCSCc1ccc(s1)Br 62a_100000210314_100000708592 [0,2,0,0,0,0|0,1,0]=3 11356 B14R1.122 CCCCCCSCc1ccc(s1)Br 62a_100000708592_100000210757 [0,2,0,0,0,0|0,1,0]=3 11357 B14R1.122 CCCCCCSCc1ccc(s1)Cl 62a_100000185097_100000210757 [0,2,0,0,0,0|0,1,0]=3 11358 B14R1.122 CCCCCCSCc1ccc(s1)Cl 62a_100000210314_100000185097 [0,2,0,0,0,0|0,1,0]=3 11359 B14R1.122 CCCCCCSCc1ccn(n1)C 62a_100000210314_100000726502 [0,2,0,0,0,0|2,0,0]=4 11360 B14R1.122 CCCCCCSCc1ccn(n1)C 62a_100000726502_100000210757 [0,2,0,0,0,0|2,0,0]=4 11361 B14R1.122 CCCCCCSCc1cn(cn1)C 62a_100000210314_100000717665 [0,2,0,0,0,0|2,0,0]=4 11362 B14R1.122 CCCCCCSCc1cn(cn1)C 62a_100000717665_100000210757 [0,2,0,0,0,0|2,0,0]=4 11363 B14R1.122 CCCCCCSCc1cnc(s1)Br 62a_100000210314_100000717027 [0,2,0,0,0,0|1,1,0]=4 11364 B14R1.122 CCCCCCSCc1cnc(s1)Br 62a_100000717027_100000210757 [0,2,0,0,0,0|1,1,0]=4 11365 B14R1.122 CCCCCCSCc1cnc(s1)C 62a_100000210314_100020635045 [0,2,0,0,0,0|1,1,0]=4 11366 B14R1.122 CCCCCCSCc1cnc(s1)C 62a_100020635045_100000210757 [0,2,0,0,0,0|1,1,0]=4 11367 B14R1.122 CCCCCCSCc1cnc(s1)Cl 62a_100000058068_100000210757 [0,2,0,0,0,0|1,1,0]=4 11368 B14R1.122 CCCCCCSCc1cnc(s1)Cl 62a_100000210314_100000058068 [0,2,0,0,0,0|1,1,0]=4 11369 B14R1.122 CCCCCCSCc1csc(n1)C 62a_100000210314_100015186478 [0,2,0,0,0,0|2,0,0]=4 11370 B14R1.122 CCCCCCSCc1csc(n1)C 62a_100015186478_100000210757 [0,2,0,0,0,0|2,0,0]=4 11371 B14R1.122 CCCCCCSCc1csc(n1)Cl 62a_100000024076_100000210757 [0,2,0,0,0,0|2,0,0]=4 11372 B14R1.122 CCCCCCSCc1csc(n1)Cl 62a_100000210314_100000024076 [0,2,0,0,0,0|2,0,0]=4 11373 B14R1.122 CCCCCCSCc1nc(no1)C 62a_100000210314_100000735555 [0,2,0,0,0,0|2,0,0]=4 11374 B14R1.122 CCCCCCSCc1nc(no1)C 62a_100000735555_100000210757 [0,2,0,0,0,0|2,0,0]=4 11375 B14R1.122 CCCCCCSCc1nnc(o1)C 62a_100000181450_100000210757 [0,2,0,0,0,0|2,0,0]=4 11376 B14R1.122 CCCCCCSCc1nnc(o1)C 62a_100000210314_100000181450 [0,2,0,0,0,0|2,0,0]=4 11377 B14R1.122 CCCCCNCCc1ccc(o1)C 2230a_100000739271_100000210326 [0,2,0,0,0,0|0,0,0]=2 11378 B14R1.122 CCCCCNCCc1ccc(o1)C 34a_100000739271_100000718602 [0,2,0,0,0,0|0,0,0]=2 11379 B14R1.122 CCCCCNCCc1ccc(s1)Br 2230a_100000217605_100000210326 [0,2,0,0,0,0|0,1,0]=3 11380 B14R1.122 CCCCCNCCc1csc(n1)C 2230a_100000209983_100000695623 [0,2,0,0,0,0|2,0,0]=4 11381 B14R1.122 CCCCCNCCc1csc(n1)C 2230a_102495365028_100000210326 [0,2,0,0,0,0|2,0,0]=4 11382 B14R1.122 CCCCCNCCc1csc(n1)C 34a_102495365028_100000718602 [0,2,0,0,0,0|2,0,0]=4 11383 B14R1.122 CCCCCNCCc1nc(cs1)C 2230a_100000736835_100000210326 [0,2,0,0,0,0|1,1,0]=4 11384 B14R1.122 CCCCCNCCc1nc(no1)C 34a_100000747544_100000718602 [0,2,0,0,0,0|2,0,0]=4 11385 B14R1.122 CCCCCNCCn1cc(cn1)Br 2230a_100000730845_100000210326 [0,2,0,0,0,0|2,0,0]=4 11386 B14R1.122 CCCCCNCCn1cc(cn1)Br 34a_100000730845_100000718602 [0,2,0,0,0,0|2,0,0]=4 11387 B14R1.122 CCCCCNCCn1cc(cn1)Cl 2230a_100000209983_100011353933 [0,2,0,0,0,0|2,0,0]=4 11388 B14R1.122 CCCCCNCCn1cc(cn1)Cl 34a_200000238484_100000718602 [0,2,0,0,0,0|2,0,0]=4 11389 B14R1.122 CCCCCNCCn1ccc(n1)C 2230a_100000209983_200011934056 [0,2,0,0,0,0|2,0,0]=4 11390 B14R1.122 CCCCCNN=Cc1cc(co1)Br 4a_100000694160_100000747035 [0,2,0,0,0,0|1,0,1]=4 11391 B14R1.122 CCCCCNN=Cc1ccc(o1)Br 4a_100000694160_100000185145 [0,2,0,0,0,0|1,0,1]=4 11392 B14R1.122 CCCCCNN=Cc1ccc(o1)C 4a_100000694160_100000183696 [0,2,0,0,0,0|1,0,1]=4 11393 B14R1.122 CCCCCNN=Cc1ccc(o1)Cl 4a_100000694160_100000188459 [0,2,0,0,0,0|1,0,1]=4 11394 B14R1.122 CCCCCNN=Cc1ccc(o1)I 4a_100000694160_100000186757 [0,2,0,0,0,0|1,0,1]=4 11395 B14R1.122 CCCCCOCCc1cc(no1)Br 34a_100009816916_100000718602 [0,2,0,0,0,0|1,0,0]=3 11396 B14R1.122 CCCCCOCCc1ccc(o1)C 34a_100012161071_100000718602 [0,2,0,0,0,0|0,0,0]=2 11397 B14R1.122 CCCCCOCCc1ccc(o1)C 7a_100012161071_100000210326 [0,2,0,0,0,0|0,0,0]=2 11398 B14R1.122 CCCCCOCCc1cnc(s1)N 7a_100000124125_100000210326 [0,2,0,0,0,0|1,1,0]=4 11399 B14R1.122 CCCCCOCCc1csc(n1)C 34a_100000210253_100000695623 [0,2,0,0,0,0|2,0,0]=4 11400 B14R1.122 CCCCCOCCc1csc(n1)C 34a_100011934828_100000718602 [0,2,0,0,0,0|2,0,0]=4 11401 B14R1.122 CCCCCOCCc1csc(n1)C 7a_100000210253_100000695623 [0,2,0,0,0,0|2,0,0]=4 11402 B14R1.122 CCCCCOCCn1cc(cn1)Br 34a_100011236722_100000718602 [0,2,0,0,0,0|2,0,0]=4 11403 B14R1.122 CCCCCOCCn1cc(cn1)C 34a_100011363705_100000718602 [0,2,0,0,0,0|2,0,0]=4 11404 B14R1.122 CCCCCOCCn1cc(cn1)Cl 34a_100011398116_100000718602 [0,2,0,0,0,0|2,0,0]=4 11405 B14R1.122 CCCCCOCCn1cc(cn1)Cl 7a_100000210253_100011353933 [0,2,0,0,0,0|2,0,0]=4 11406 B14R1.122 CCCCCOCCn1cc(cn1)I 34a_100012072722_100000718602 [0,2,0,0,0,0|2,0,0]=4 11407 B14R1.122 CCCCCOCCn1cc(cn1)N 34a_100000743930_100000718602 [0,2,0,0,0,0|2,0,0]=4 11408 B14R1.122 CCCCCOCCn1ccc(n1)Br 34a_200010732121_100000718602 [0,2,0,0,0,0|2,0,0]=4 11409 B14R1.122 CCCCCOCCn1ccc(n1)C 7a_100000210253_200011934056 [0,2,0,0,0,0|2,0,0]=4 11410 B14R1.122 CCCCCOCCn1ccc(n1)N 34a_100000752724_100000718602 [0,2,0,0,0,0|2,0,0]=4 11411 B14R1.122 CCCCCSCCc1csc(n1)C 62a_100000210326_100000695623 [0,2,0,0,0,0|2,0,0]=4 11412 B14R1.122 CCCCCSCCc1csc(n1)C 62a_100000695623_100000210326 [0,2,0,0,0,0|2,0,0]=4 11413 B14R1.122 CCCCCSCCn1cc(cn1)Cl 62a_100000210326_100011353933 [0,2,0,0,0,0|2,0,0]=4 11414 B14R1.122 CCCCCSCCn1cc(cn1)Cl 62a_100011353933_100000210326 [0,2,0,0,0,0|2,0,0]=4 11415 B14R1.122 CCCCCSCCn1ccc(n1)C 62a_100000210326_200011934056 [0,2,0,0,0,0|2,0,0]=4 11416 B14R1.122 CCCCCSCCn1ccc(n1)C 62a_200011934056_100000210326 [0,2,0,0,0,0|2,0,0]=4 11417 B14R1.122 CCCCNCCCc1nc(cs1)C 2230a_100000749783_100000210211 [0,2,0,0,0,0|1,1,0]=4 11418 B14R1.122 CCCCNCCCc1nc(no1)C 34a_100000750606_100000210210 [0,2,0,0,0,0|2,0,0]=4 11419 B14R1.122 CCCCNCCCn1cc(cn1)C 2230a_100000102301_200015186932 [0,2,0,0,0,0|2,0,0]=4 11420 B14R1.122 CCCCNCCCn1cc(cn1)C 2230a_100000748464_100000210211 [0,2,0,0,0,0|2,0,0]=4 11421 B14R1.122 CCCCNCCCn1cc(cn1)C 34a_100000748464_100000210210 [0,2,0,0,0,0|2,0,0]=4 11422 B14R1.122 CCCCNCCCn1cc(cn1)C 7a_106832991798_200015186932 [0,2,0,0,0,0|2,0,0]=4 11423 B14R1.122 CCCCNCCCn1cc(cn1)Cl 34a_100011353932_100000210210 [0,2,0,0,0,0|2,0,0]=4 11424 B14R1.122 CCCCOCCCn1cc(cn1)Br 34a_100011398341_100000210210 [0,2,0,0,0,0|2,0,0]=4 11425 B14R1.122 CCCCOCCCn1cc(cn1)C 7a_100000210227_200015186932 [0,2,0,0,0,0|2,0,0]=4 11426 B14R1.122 CCCCOCCSc1cc(cs1)C 62a_100000743108_100009876951 [0,2,0,0,0,0|1,1,0]=4 11427 B14R1.122 CCCCOCCSc1cc(cs1)C 62a_100009876951_100000743108 [0,2,0,0,0,0|1,1,0]=4 11428 B14R1.122 CCCCOCCSc1ccc(s1)Br 62a_100000743108_100010197418 [0,2,0,0,0,0|1,1,0]=4 11429 B14R1.122 CCCCOCCSc1ccc(s1)Br 62a_100010197418_100000743108 [0,2,0,0,0,0|1,1,0]=4 11430 B14R1.122 CCCCOCCSc1ccc(s1)C 62a_100000031368_100000743108 [0,2,0,0,0,0|1,1,0]=4 11431 B14R1.122 CCCCOCCSc1ccc(s1)C 62a_100000743108_100000031368 [0,2,0,0,0,0|1,1,0]=4 11432 B14R1.122 CCCCOCNCc1cc(cs1)Br 2230a_100000741024_100011995733 [0,2,0,0,0,0|1,1,0]=4 11433 B14R1.122 CCCCOCNCc1cc(cs1)Br 34a_100000741024_100011995733 [0,2,0,0,0,0|1,1,0]=4 11434 B14R1.122 CCCCOCNCc1cc(cs1)C 2230a_100015204214_100011995733 [0,2,0,0,0,0|1,1,0]=4 11435 B14R1.122 CCCCOCNCc1cc(cs1)C 34a_100015204214_100011995733 [0,2,0,0,0,0|1,1,0]=4 11436 B14R1.122 CCCCOCNCc1cc(no1)Br 2230a_100015193020_100011995733 [0,2,0,0,0,0|2,0,0]=4 11437 B14R1.122 CCCCOCNCc1cc(no1)Br 34a_100015193020_100011995733 [0,2,0,0,0,0|2,0,0]=4 11438 B14R1.122 CCCCOCNCc1cc(no1)C 2230a_100000745748_100011995733 [0,2,0,0,0,0|2,0,0]=4 11439 B14R1.122 CCCCOCNCc1cc(no1)C 34a_100000745748_100011995733 [0,2,0,0,0,0|2,0,0]=4 11440 B14R1.122 CCCCOCNCc1ccc(o1)Br 34a_100000708654_100011995733 [0,2,0,0,0,0|1,0,0]=3 11441 B14R1.122 CCCCOCNCc1ccc(o1)C 34a_100011194323_100011995733 [0,2,0,0,0,0|1,0,0]=3 11442 B14R1.122 CCCCOCNCc1ccc(s1)C 2230a_100000238518_100011995733 [0,2,0,0,0,0|1,1,0]=4 11443 B14R1.122 CCCCOCNCc1ccc(s1)Cl 2230a_100000737310_100011995733 [0,2,0,0,0,0|1,1,0]=4 11444 B14R1.122 CCCCOCNCc1ncc(o1)C 2230a_100138411809_100011995733 [0,2,0,0,0,0|2,0,0]=4 11445 B14R1.122 CCCCOCNCc1ncc(o1)C 34a_100138411809_100011995733 [0,2,0,0,0,0|2,0,0]=4 11446 B14R1.122 CCCCOCOCc1cc(cs1)Br 34a_100000238369_100011995733 [0,2,0,0,0,0|1,1,0]=4 11447 B14R1.122 CCCCOCOCc1cc(cs1)C 34a_200000068372_100011995733 [0,2,0,0,0,0|1,1,0]=4 11448 B14R1.122 CCCCOCOCc1cc(no1)Br 34a_100009816691_100011995733 [0,2,0,0,0,0|2,0,0]=4 11449 B14R1.122 CCCCOCOCc1cc(no1)C 34a_100000684692_100011995733 [0,2,0,0,0,0|2,0,0]=4 11450 B14R1.122 CCCCOCOCc1ccc(o1)Br 34a_100000246276_100011995733 [0,2,0,0,0,0|1,0,0]=3 11451 B14R1.122 CCCCOCOCc1ccc(o1)C 34a_100011232665_100011995733 [0,2,0,0,0,0|1,0,0]=3 11452 B14R1.122 CCCCOCOCc1ccc(s1)C 34a_100000238367_100011995733 [0,2,0,0,0,0|1,1,0]=4 11453 B14R1.122 CCCCOCSCc1cc(cs1)Br 62a_100000746031_100011995733 [0,2,0,0,0,0|1,1,0]=4 11454 B14R1.122 CCCCOCSCc1cc(cs1)Br 62a_100011995733_100000746031 [0,2,0,0,0,0|1,1,0]=4 11455 B14R1.122 CCCCOCSCc1cc(no1)Br 62a_100000709089_100011995733 [0,2,0,0,0,0|2,0,0]=4 11456 B14R1.122 CCCCOCSCc1cc(no1)Br 62a_100011995733_100000709089 [0,2,0,0,0,0|2,0,0]=4 11457 B14R1.122 CCCCOCSCc1cc(no1)C 62a_100000707947_100011995733 [0,2,0,0,0,0|2,0,0]=4 11458 B14R1.122 CCCCOCSCc1cc(no1)C 62a_100011995733_100000707947 [0,2,0,0,0,0|2,0,0]=4 11459 B14R1.122 CCCCOCSCc1ccc(s1)Br 62a_100000708592_100011995733 [0,2,0,0,0,0|1,1,0]=4 11460 B14R1.122 CCCCOCSCc1ccc(s1)Br 62a_100011995733_100000708592 [0,2,0,0,0,0|1,1,0]=4 11461 B14R1.122 CCCCOCSCc1ccc(s1)Cl 62a_100000185097_100011995733 [0,2,0,0,0,0|1,1,0]=4 11462 B14R1.122 CCCCOCSCc1ccc(s1)Cl 62a_100011995733_100000185097 [0,2,0,0,0,0|1,1,0]=4 11463 B14R1.122 CCCCSCCCn1cc(cn1)C 62a_100000210211_200015186932 [0,2,0,0,0,0|2,0,0]=4 11464 B14R1.122 CCCCSCCCn1cc(cn1)C 62a_200015186932_100000210210 [0,2,0,0,0,0|2,0,0]=4 11465 B14R1.122 CCCNCCSCc1ccc(s1)Br 2230a_100000198568_100000210303 [0,2,0,0,0,0|1,1,0]=4 11466 B14R1.122 CCCNCCSCc1ccc(s1)Br 7a_100000198568_100000210303 [0,2,0,0,0,0|1,1,0]=4 11467 B14R1.122 CCCNN=CCCc1ccc(o1)C 4a_100000740057_100000078719 [0,2,0,0,0,0|1,0,1]=4 11468 B14R1.122 CCCOCCNCc1cc(c[nH]1)Br 270004a_100161115042_100000720742 [0,2,0,0,0,0|2,0,0]=4 11469 B14R1.122 CCCOCCNCc1cc(co1)Br 270004a_100161115042_100000747035 [0,2,0,0,0,0|1,0,0]=3 11470 B14R1.122 CCCOCCNCc1cc(cs1)Br 207a_100161115042_100000211722 [0,2,0,0,0,0|1,1,0]=4 11471 B14R1.122 CCCOCCNCc1cc(cs1)Br 2230a_100000741024_100011215938 [0,2,0,0,0,0|1,1,0]=4 11472 B14R1.122 CCCOCCNCc1cc(cs1)Br 2230a_100161115042_100000746031 [0,2,0,0,0,0|1,1,0]=4 11473 B14R1.122 CCCOCCNCc1cc(cs1)Br 270004a_100161115042_100000211722 [0,2,0,0,0,0|1,1,0]=4 11474 B14R1.122 CCCOCCNCc1cc(cs1)Br 34a_100000741024_100011215938 [0,2,0,0,0,0|1,1,0]=4 11475 B14R1.122 CCCOCCNCc1cc(cs1)Br 34a_100161115042_100000746031 [0,2,0,0,0,0|1,1,0]=4 11476 B14R1.122 CCCOCCNCc1cc(cs1)C 207a_100161115042_100102525248 [0,2,0,0,0,0|1,1,0]=4 11477 B14R1.122 CCCOCCNCc1cc(cs1)C 2230a_100015204214_100011215938 [0,2,0,0,0,0|1,1,0]=4 11478 B14R1.122 CCCOCCNCc1cc(cs1)C 270004a_100161115042_100102525248 [0,2,0,0,0,0|1,1,0]=4 11479 B14R1.122 CCCOCCNCc1cc(cs1)C 34a_100015204214_100011215938 [0,2,0,0,0,0|1,1,0]=4 11480 B14R1.122 CCCOCCNCc1cc(cs1)Cl 207a_100161115042_100000102487 [0,2,0,0,0,0|1,1,0]=4 11481 B14R1.122 CCCOCCNCc1cc(cs1)Cl 270004a_100161115042_100000102487 [0,2,0,0,0,0|1,1,0]=4 11482 B14R1.122 CCCOCCNCc1cc(cs1)I 207a_100161115042_100010179861 [0,2,0,0,0,0|1,1,0]=4 11483 B14R1.122 CCCOCCNCc1cc(no1)Br 2230a_100015193020_100011215938 [0,2,0,0,0,0|2,0,0]=4 11484 B14R1.122 CCCOCCNCc1cc(no1)Br 270004a_100161115042_100009819588 [0,2,0,0,0,0|2,0,0]=4 11485 B14R1.122 CCCOCCNCc1cc(no1)Br 34a_100015193020_100011215938 [0,2,0,0,0,0|2,0,0]=4 11486 B14R1.122 CCCOCCNCc1cc(no1)C 207a_100161115042_100011794430 [0,2,0,0,0,0|2,0,0]=4 11487 B14R1.122 CCCOCCNCc1cc(no1)C 2230a_100000745748_100011215938 [0,2,0,0,0,0|2,0,0]=4 11488 B14R1.122 CCCOCCNCc1cc(no1)C 2230a_100161115042_100000707947 [0,2,0,0,0,0|2,0,0]=4 11489 B14R1.122 CCCOCCNCc1cc(no1)C 270004a_100161115042_100011794430 [0,2,0,0,0,0|2,0,0]=4 11490 B14R1.122 CCCOCCNCc1cc(no1)C 34a_100000745748_100011215938 [0,2,0,0,0,0|2,0,0]=4 11491 B14R1.122 CCCOCCNCc1cc(no1)C 34a_100161115042_100000707947 [0,2,0,0,0,0|2,0,0]=4 11492 B14R1.122 CCCOCCNCc1ccc(o1)Br 207a_100161115042_100000185145 [0,2,0,0,0,0|1,0,0]=3 11493 B14R1.122 CCCOCCNCc1ccc(o1)Br 270004a_100161115042_100000185145 [0,2,0,0,0,0|1,0,0]=3 11494 B14R1.122 CCCOCCNCc1ccc(o1)Br 34a_100000708654_100011215938 [0,2,0,0,0,0|1,0,0]=3 11495 B14R1.122 CCCOCCNCc1ccc(o1)C 207a_100161115042_100000183696 [0,2,0,0,0,0|1,0,0]=3 11496 B14R1.122 CCCOCCNCc1ccc(o1)C 270004a_100161115042_100000183696 [0,2,0,0,0,0|1,0,0]=3 11497 B14R1.122 CCCOCCNCc1ccc(o1)C 34a_100011194323_100011215938 [0,2,0,0,0,0|1,0,0]=3 11498 B14R1.122 CCCOCCNCc1ccc(o1)Cl 207a_100161115042_100000188459 [0,2,0,0,0,0|1,0,0]=3 11499 B14R1.122 CCCOCCNCc1ccc(o1)Cl 270004a_100161115042_100000188459 [0,2,0,0,0,0|1,0,0]=3 11500 B14R1.122 CCCOCCNCc1ccc(o1)I 207a_100161115042_100000186757 [0,2,0,0,0,0|1,0,0]=3 11501 B14R1.122 CCCOCCNCc1ccc(s1)Br 207a_100161115042_100000179771 [0,2,0,0,0,0|1,1,0]=4 11502 B14R1.122 CCCOCCNCc1ccc(s1)Br 2230a_100161115042_100000708592 [0,2,0,0,0,0|1,1,0]=4 11503 B14R1.122 CCCOCCNCc1ccc(s1)Br 270004a_100161115042_100000179771 [0,2,0,0,0,0|1,1,0]=4 11504 B14R1.122 CCCOCCNCc1ccc(s1)Br 34a_100161115042_100000708592 [0,2,0,0,0,0|1,1,0]=4 11505 B14R1.122 CCCOCCNCc1ccc(s1)C 207a_100161115042_100000211121 [0,2,0,0,0,0|1,1,0]=4 11506 B14R1.122 CCCOCCNCc1ccc(s1)C 2230a_100000238518_100011215938 [0,2,0,0,0,0|1,1,0]=4 11507 B14R1.122 CCCOCCNCc1ccc(s1)C 270004a_100161115042_100000211121 [0,2,0,0,0,0|1,1,0]=4 11508 B14R1.122 CCCOCCNCc1ccc(s1)Cl 207a_100161115042_100000242774 [0,2,0,0,0,0|1,1,0]=4 11509 B14R1.122 CCCOCCNCc1ccc(s1)Cl 2230a_100000737310_100011215938 [0,2,0,0,0,0|1,1,0]=4 11510 B14R1.122 CCCOCCNCc1ccc(s1)Cl 2230a_100161115042_100000185097 [0,2,0,0,0,0|1,1,0]=4 11511 B14R1.122 CCCOCCNCc1ccc(s1)Cl 270004a_100161115042_100000242774 [0,2,0,0,0,0|1,1,0]=4 11512 B14R1.122 CCCOCCNCc1ccc(s1)Cl 34a_100161115042_100000185097 [0,2,0,0,0,0|1,1,0]=4 11513 B14R1.122 CCCOCCNCc1cnc(o1)C 207a_100161115042_100000084308 [0,2,0,0,0,0|2,0,0]=4 11514 B14R1.122 CCCOCCNCc1cnc(o1)C 270004a_100161115042_100000084308 [0,2,0,0,0,0|2,0,0]=4 11515 B14R1.122 CCCOCCNCc1ncc(o1)C 2230a_100138411809_100011215938 [0,2,0,0,0,0|2,0,0]=4 11516 B14R1.122 CCCOCCNCc1ncc(o1)C 34a_100138411809_100011215938 [0,2,0,0,0,0|2,0,0]=4 11517 B14R1.122 CCCOCCOCc1cc(cs1)Br 34a_100000238369_100011215938 [0,2,0,0,0,0|1,1,0]=4 11518 B14R1.122 CCCOCCOCc1cc(cs1)Br 34a_100000752267_100000746031 [0,2,0,0,0,0|1,1,0]=4 11519 B14R1.122 CCCOCCOCc1cc(cs1)Br 7a_100000238369_100011215938 [0,2,0,0,0,0|1,1,0]=4 11520 B14R1.122 CCCOCCOCc1cc(cs1)Br 7a_100000752267_100000746031 [0,2,0,0,0,0|1,1,0]=4 11521 B14R1.122 CCCOCCOCc1cc(cs1)C 34a_200000068372_100011215938 [0,2,0,0,0,0|1,1,0]=4 11522 B14R1.122 CCCOCCOCc1cc(cs1)C 7a_200000068372_100011215938 [0,2,0,0,0,0|1,1,0]=4 11523 B14R1.122 CCCOCCOCc1cc(no1)Br 34a_100009816691_100011215938 [0,2,0,0,0,0|2,0,0]=4 11524 B14R1.122 CCCOCCOCc1cc(no1)Br 7a_100000752267_100000709089 [0,2,0,0,0,0|2,0,0]=4 11525 B14R1.122 CCCOCCOCc1cc(no1)C 34a_100000684692_100011215938 [0,2,0,0,0,0|2,0,0]=4 11526 B14R1.122 CCCOCCOCc1cc(no1)C 34a_100000752267_100000707947 [0,2,0,0,0,0|2,0,0]=4 11527 B14R1.122 CCCOCCOCc1cc(no1)C 7a_100000752267_100000707947 [0,2,0,0,0,0|2,0,0]=4 11528 B14R1.122 CCCOCCOCc1ccc(o1)Br 34a_100000246276_100011215938 [0,2,0,0,0,0|1,0,0]=3 11529 B14R1.122 CCCOCCOCc1ccc(o1)Br 7a_100000246276_100011215938 [0,2,0,0,0,0|1,0,0]=3 11530 B14R1.122 CCCOCCOCc1ccc(o1)C 34a_100011232665_100011215938 [0,2,0,0,0,0|1,0,0]=3 11531 B14R1.122 CCCOCCOCc1ccc(o1)C 7a_100011232665_100011215938 [0,2,0,0,0,0|1,0,0]=3 11532 B14R1.122 CCCOCCOCc1ccc(s1)Br 34a_100000752267_100000708592 [0,2,0,0,0,0|1,1,0]=4 11533 B14R1.122 CCCOCCOCc1ccc(s1)Br 7a_100000752267_100000708592 [0,2,0,0,0,0|1,1,0]=4 11534 B14R1.122 CCCOCCOCc1ccc(s1)C 34a_100000238367_100011215938 [0,2,0,0,0,0|1,1,0]=4 11535 B14R1.122 CCCOCCOCc1ccc(s1)Cl 34a_100000752267_100000185097 [0,2,0,0,0,0|1,1,0]=4 11536 B14R1.122 CCCOCCOCc1ccc(s1)Cl 7a_100000752267_100000185097 [0,2,0,0,0,0|1,1,0]=4 11537 B14R1.122 CCCOCCSCc1cc(cs1)Br 62a_100000746031_100011215938 [0,2,0,0,0,0|1,1,0]=4 11538 B14R1.122 CCCOCCSCc1cc(cs1)Br 62a_100011215938_100000746031 [0,2,0,0,0,0|1,1,0]=4 11539 B14R1.122 CCCOCCSCc1cc(no1)Br 62a_100000709089_100011215938 [0,2,0,0,0,0|2,0,0]=4 11540 B14R1.122 CCCOCCSCc1cc(no1)Br 62a_100011215938_100000709089 [0,2,0,0,0,0|2,0,0]=4 11541 B14R1.122 CCCOCCSCc1cc(no1)C 62a_100000707947_100011215938 [0,2,0,0,0,0|2,0,0]=4 11542 B14R1.122 CCCOCCSCc1cc(no1)C 62a_100011215938_100000707947 [0,2,0,0,0,0|2,0,0]=4 11543 B14R1.122 CCCOCCSCc1ccc(s1)Br 62a_100000708592_100011215938 [0,2,0,0,0,0|1,1,0]=4 11544 B14R1.122 CCCOCCSCc1ccc(s1)Br 62a_100011215938_100000708592 [0,2,0,0,0,0|1,1,0]=4 11545 B14R1.122 CCCOCCSCc1ccc(s1)Cl 62a_100000185097_100011215938 [0,2,0,0,0,0|1,1,0]=4 11546 B14R1.122 CCCOCCSCc1ccc(s1)Cl 62a_100011215938_100000185097 [0,2,0,0,0,0|1,1,0]=4 11547 B14R1.122 CCCSCCNCc1cc(c[nH]1)Br 270004a_100020603323_100000720742 [0,2,0,0,0,0|2,0,0]=4 11548 B14R1.122 CCCSCCNCc1cc(co1)Br 270004a_100020603323_100000747035 [0,2,0,0,0,0|1,0,0]=3 11549 B14R1.122 CCCSCCNCc1cc(cs1)Br 207a_100020603323_100000211722 [0,2,0,0,0,0|1,1,0]=4 11550 B14R1.122 CCCSCCNCc1cc(cs1)Br 2230a_100020603323_100000746031 [0,2,0,0,0,0|1,1,0]=4 11551 B14R1.122 CCCSCCNCc1cc(cs1)Br 270004a_100020603323_100000211722 [0,2,0,0,0,0|1,1,0]=4 11552 B14R1.122 CCCSCCNCc1cc(cs1)C 207a_100020603323_100102525248 [0,2,0,0,0,0|1,1,0]=4 11553 B14R1.122 CCCSCCNCc1cc(cs1)C 270004a_100020603323_100102525248 [0,2,0,0,0,0|1,1,0]=4 11554 B14R1.122 CCCSCCNCc1cc(cs1)Cl 207a_100020603323_100000102487 [0,2,0,0,0,0|1,1,0]=4 11555 B14R1.122 CCCSCCNCc1cc(cs1)Cl 270004a_100020603323_100000102487 [0,2,0,0,0,0|1,1,0]=4 11556 B14R1.122 CCCSCCNCc1cc(cs1)I 207a_100020603323_100010179861 [0,2,0,0,0,0|1,1,0]=4 11557 B14R1.122 CCCSCCNCc1cc(no1)Br 270004a_100020603323_100009819588 [0,2,0,0,0,0|2,0,0]=4 11558 B14R1.122 CCCSCCNCc1cc(no1)C 207a_100020603323_100011794430 [0,2,0,0,0,0|2,0,0]=4 11559 B14R1.122 CCCSCCNCc1cc(no1)C 2230a_100020603323_100000707947 [0,2,0,0,0,0|2,0,0]=4 11560 B14R1.122 CCCSCCNCc1cc(no1)C 270004a_100020603323_100011794430 [0,2,0,0,0,0|2,0,0]=4 11561 B14R1.122 CCCSCCNCc1ccc(o1)Br 207a_100020603323_100000185145 [0,2,0,0,0,0|1,0,0]=3 11562 B14R1.122 CCCSCCNCc1ccc(o1)Br 270004a_100020603323_100000185145 [0,2,0,0,0,0|1,0,0]=3 11563 B14R1.122 CCCSCCNCc1ccc(o1)C 207a_100020603323_100000183696 [0,2,0,0,0,0|1,0,0]=3 11564 B14R1.122 CCCSCCNCc1ccc(o1)C 270004a_100020603323_100000183696 [0,2,0,0,0,0|1,0,0]=3 11565 B14R1.122 CCCSCCNCc1ccc(o1)Cl 207a_100020603323_100000188459 [0,2,0,0,0,0|1,0,0]=3 11566 B14R1.122 CCCSCCNCc1ccc(o1)Cl 270004a_100020603323_100000188459 [0,2,0,0,0,0|1,0,0]=3 11567 B14R1.122 CCCSCCNCc1ccc(o1)I 207a_100020603323_100000186757 [0,2,0,0,0,0|1,0,0]=3 11568 B14R1.122 CCCSCCNCc1ccc(s1)Br 207a_100020603323_100000179771 [0,2,0,0,0,0|1,1,0]=4 11569 B14R1.122 CCCSCCNCc1ccc(s1)Br 2230a_100020603323_100000708592 [0,2,0,0,0,0|1,1,0]=4 11570 B14R1.122 CCCSCCNCc1ccc(s1)Br 270004a_100020603323_100000179771 [0,2,0,0,0,0|1,1,0]=4 11571 B14R1.122 CCCSCCNCc1ccc(s1)C 207a_100020603323_100000211121 [0,2,0,0,0,0|1,1,0]=4 11572 B14R1.122 CCCSCCNCc1ccc(s1)C 270004a_100020603323_100000211121 [0,2,0,0,0,0|1,1,0]=4 11573 B14R1.122 CCCSCCNCc1ccc(s1)Cl 207a_100020603323_100000242774 [0,2,0,0,0,0|1,1,0]=4 11574 B14R1.122 CCCSCCNCc1ccc(s1)Cl 2230a_100020603323_100000185097 [0,2,0,0,0,0|1,1,0]=4 11575 B14R1.122 CCCSCCNCc1ccc(s1)Cl 270004a_100020603323_100000242774 [0,2,0,0,0,0|1,1,0]=4 11576 B14R1.122 CCCSCCNCc1cnc(o1)C 207a_100020603323_100000084308 [0,2,0,0,0,0|2,0,0]=4 11577 B14R1.122 CCCSCCNCc1cnc(o1)C 270004a_100020603323_100000084308 [0,2,0,0,0,0|2,0,0]=4 11578 B14R1.122 CCCSCCOCc1cc(cs1)Br 34a_200000230433_100000746031 [0,2,0,0,0,0|1,1,0]=4 11579 B14R1.122 CCCSCCOCc1cc(cs1)Br 7a_200000230433_100000746031 [0,2,0,0,0,0|1,1,0]=4 11580 B14R1.122 CCCSCCOCc1cc(no1)Br 7a_200000230433_100000709089 [0,2,0,0,0,0|2,0,0]=4 11581 B14R1.122 CCCSCCOCc1cc(no1)C 34a_200000230433_100000707947 [0,2,0,0,0,0|2,0,0]=4 11582 B14R1.122 CCCSCCOCc1cc(no1)C 7a_200000230433_100000707947 [0,2,0,0,0,0|2,0,0]=4 11583 B14R1.122 CCCSCCOCc1ccc(s1)Br 34a_200000230433_100000708592 [0,2,0,0,0,0|1,1,0]=4 11584 B14R1.122 CCCSCCOCc1ccc(s1)Br 7a_200000230433_100000708592 [0,2,0,0,0,0|1,1,0]=4 11585 B14R1.122 CCCSCCOCc1ccc(s1)Cl 34a_200000230433_100000185097 [0,2,0,0,0,0|1,1,0]=4 11586 B14R1.122 CCCSCCOCc1ccc(s1)Cl 7a_200000230433_100000185097 [0,2,0,0,0,0|1,1,0]=4 11587 B14R1.122 CCOCCCNCc1cc(c[nH]1)Br 270004a_100000210961_100000720742 [0,2,0,0,0,0|2,0,0]=4 11588 B14R1.122 CCOCCCNCc1cc(co1)Br 270004a_100000210961_100000747035 [0,2,0,0,0,0|1,0,0]=3 11589 B14R1.122 CCOCCCNCc1cc(cs1)Br 207a_100000210961_100000211722 [0,2,0,0,0,0|1,1,0]=4 11590 B14R1.122 CCOCCCNCc1cc(cs1)Br 2230a_100000210961_100000746031 [0,2,0,0,0,0|1,1,0]=4 11591 B14R1.122 CCOCCCNCc1cc(cs1)Br 2230a_100000741024_100012232248 [0,2,0,0,0,0|1,1,0]=4 11592 B14R1.122 CCOCCCNCc1cc(cs1)Br 270004a_100000210961_100000211722 [0,2,0,0,0,0|1,1,0]=4 11593 B14R1.122 CCOCCCNCc1cc(cs1)Br 34a_100000210961_100000746031 [0,2,0,0,0,0|1,1,0]=4 11594 B14R1.122 CCOCCCNCc1cc(cs1)Br 34a_100000741024_100012232248 [0,2,0,0,0,0|1,1,0]=4 11595 B14R1.122 CCOCCCNCc1cc(cs1)C 207a_100000210961_100102525248 [0,2,0,0,0,0|1,1,0]=4 11596 B14R1.122 CCOCCCNCc1cc(cs1)C 2230a_100015204214_100012232248 [0,2,0,0,0,0|1,1,0]=4 11597 B14R1.122 CCOCCCNCc1cc(cs1)C 270004a_100000210961_100102525248 [0,2,0,0,0,0|1,1,0]=4 11598 B14R1.122 CCOCCCNCc1cc(cs1)C 34a_100015204214_100012232248 [0,2,0,0,0,0|1,1,0]=4 11599 B14R1.122 CCOCCCNCc1cc(cs1)Cl 207a_100000210961_100000102487 [0,2,0,0,0,0|1,1,0]=4 11600 B14R1.122 CCOCCCNCc1cc(cs1)Cl 270004a_100000210961_100000102487 [0,2,0,0,0,0|1,1,0]=4 11601 B14R1.122 CCOCCCNCc1cc(cs1)I 207a_100000210961_100010179861 [0,2,0,0,0,0|1,1,0]=4 11602 B14R1.122 CCOCCCNCc1cc(no1)Br 2230a_100015193020_100012232248 [0,2,0,0,0,0|2,0,0]=4 11603 B14R1.122 CCOCCCNCc1cc(no1)Br 270004a_100000210961_100009819588 [0,2,0,0,0,0|2,0,0]=4 11604 B14R1.122 CCOCCCNCc1cc(no1)Br 34a_100015193020_100012232248 [0,2,0,0,0,0|2,0,0]=4 11605 B14R1.122 CCOCCCNCc1cc(no1)C 207a_100000210961_100011794430 [0,2,0,0,0,0|2,0,0]=4 11606 B14R1.122 CCOCCCNCc1cc(no1)C 2230a_100000210961_100000707947 [0,2,0,0,0,0|2,0,0]=4 11607 B14R1.122 CCOCCCNCc1cc(no1)C 2230a_100000745748_100012232248 [0,2,0,0,0,0|2,0,0]=4 11608 B14R1.122 CCOCCCNCc1cc(no1)C 270004a_100000210961_100011794430 [0,2,0,0,0,0|2,0,0]=4 11609 B14R1.122 CCOCCCNCc1cc(no1)C 34a_100000210961_100000707947 [0,2,0,0,0,0|2,0,0]=4 11610 B14R1.122 CCOCCCNCc1cc(no1)C 34a_100000745748_100012232248 [0,2,0,0,0,0|2,0,0]=4 11611 B14R1.122 CCOCCCNCc1ccc(o1)Br 207a_100000210961_100000185145 [0,2,0,0,0,0|1,0,0]=3 11612 B14R1.122 CCOCCCNCc1ccc(o1)Br 270004a_100000210961_100000185145 [0,2,0,0,0,0|1,0,0]=3 11613 B14R1.122 CCOCCCNCc1ccc(o1)Br 34a_100000708654_100012232248 [0,2,0,0,0,0|1,0,0]=3 11614 B14R1.122 CCOCCCNCc1ccc(o1)C 207a_100000210961_100000183696 [0,2,0,0,0,0|1,0,0]=3 11615 B14R1.122 CCOCCCNCc1ccc(o1)C 270004a_100000210961_100000183696 [0,2,0,0,0,0|1,0,0]=3 11616 B14R1.122 CCOCCCNCc1ccc(o1)C 34a_100011194323_100012232248 [0,2,0,0,0,0|1,0,0]=3 11617 B14R1.122 CCOCCCNCc1ccc(o1)Cl 207a_100000210961_100000188459 [0,2,0,0,0,0|1,0,0]=3 11618 B14R1.122 CCOCCCNCc1ccc(o1)Cl 270004a_100000210961_100000188459 [0,2,0,0,0,0|1,0,0]=3 11619 B14R1.122 CCOCCCNCc1ccc(o1)I 207a_100000210961_100000186757 [0,2,0,0,0,0|1,0,0]=3 11620 B14R1.122 CCOCCCNCc1ccc(s1)Br 207a_100000210961_100000179771 [0,2,0,0,0,0|1,1,0]=4 11621 B14R1.122 CCOCCCNCc1ccc(s1)Br 2230a_100000210961_100000708592 [0,2,0,0,0,0|1,1,0]=4 11622 B14R1.122 CCOCCCNCc1ccc(s1)Br 270004a_100000210961_100000179771 [0,2,0,0,0,0|1,1,0]=4 11623 B14R1.122 CCOCCCNCc1ccc(s1)Br 34a_100000210961_100000708592 [0,2,0,0,0,0|1,1,0]=4 11624 B14R1.122 CCOCCCNCc1ccc(s1)C 207a_100000210961_100000211121 [0,2,0,0,0,0|1,1,0]=4 11625 B14R1.122 CCOCCCNCc1ccc(s1)C 2230a_100000238518_100012232248 [0,2,0,0,0,0|1,1,0]=4 11626 B14R1.122 CCOCCCNCc1ccc(s1)C 270004a_100000210961_100000211121 [0,2,0,0,0,0|1,1,0]=4 11627 B14R1.122 CCOCCCNCc1ccc(s1)Cl 207a_100000210961_100000242774 [0,2,0,0,0,0|1,1,0]=4 11628 B14R1.122 CCOCCCNCc1ccc(s1)Cl 2230a_100000210961_100000185097 [0,2,0,0,0,0|1,1,0]=4 11629 B14R1.122 CCOCCCNCc1ccc(s1)Cl 2230a_100000737310_100012232248 [0,2,0,0,0,0|1,1,0]=4 11630 B14R1.122 CCOCCCNCc1ccc(s1)Cl 270004a_100000210961_100000242774 [0,2,0,0,0,0|1,1,0]=4 11631 B14R1.122 CCOCCCNCc1ccc(s1)Cl 34a_100000210961_100000185097 [0,2,0,0,0,0|1,1,0]=4 11632 B14R1.122 CCOCCCNCc1cnc(o1)C 207a_100000210961_100000084308 [0,2,0,0,0,0|2,0,0]=4 11633 B14R1.122 CCOCCCNCc1cnc(o1)C 270004a_100000210961_100000084308 [0,2,0,0,0,0|2,0,0]=4 11634 B14R1.122 CCOCCCNCc1ncc(o1)C 2230a_100138411809_100012232248 [0,2,0,0,0,0|2,0,0]=4 11635 B14R1.122 CCOCCCNCc1ncc(o1)C 34a_100138411809_100012232248 [0,2,0,0,0,0|2,0,0]=4 11636 B14R1.122 CCOCCCOCc1cc(cs1)Br 34a_100000238369_100012232248 [0,2,0,0,0,0|1,1,0]=4 11637 B14R1.122 CCOCCCOCc1cc(cs1)Br 34a_100000757476_100000746031 [0,2,0,0,0,0|1,1,0]=4 11638 B14R1.122 CCOCCCOCc1cc(cs1)Br 7a_100000238369_100012232248 [0,2,0,0,0,0|1,1,0]=4 11639 B14R1.122 CCOCCCOCc1cc(cs1)Br 7a_100000757476_100000746031 [0,2,0,0,0,0|1,1,0]=4 11640 B14R1.122 CCOCCCOCc1cc(cs1)C 34a_200000068372_100012232248 [0,2,0,0,0,0|1,1,0]=4 11641 B14R1.122 CCOCCCOCc1cc(cs1)C 7a_200000068372_100012232248 [0,2,0,0,0,0|1,1,0]=4 11642 B14R1.122 CCOCCCOCc1cc(no1)Br 34a_100009816691_100012232248 [0,2,0,0,0,0|2,0,0]=4 11643 B14R1.122 CCOCCCOCc1cc(no1)Br 7a_100000757476_100000709089 [0,2,0,0,0,0|2,0,0]=4 11644 B14R1.122 CCOCCCOCc1cc(no1)C 34a_100000684692_100012232248 [0,2,0,0,0,0|2,0,0]=4 11645 B14R1.122 CCOCCCOCc1cc(no1)C 34a_100000757476_100000707947 [0,2,0,0,0,0|2,0,0]=4 11646 B14R1.122 CCOCCCOCc1cc(no1)C 7a_100000757476_100000707947 [0,2,0,0,0,0|2,0,0]=4 11647 B14R1.122 CCOCCCOCc1ccc(o1)Br 34a_100000246276_100012232248 [0,2,0,0,0,0|1,0,0]=3 11648 B14R1.122 CCOCCCOCc1ccc(o1)Br 7a_100000246276_100012232248 [0,2,0,0,0,0|1,0,0]=3 11649 B14R1.122 CCOCCCOCc1ccc(o1)C 34a_100011232665_100012232248 [0,2,0,0,0,0|1,0,0]=3 11650 B14R1.122 CCOCCCOCc1ccc(o1)C 7a_100011232665_100012232248 [0,2,0,0,0,0|1,0,0]=3 11651 B14R1.122 CCOCCCOCc1ccc(s1)Br 34a_100000757476_100000708592 [0,2,0,0,0,0|1,1,0]=4 11652 B14R1.122 CCOCCCOCc1ccc(s1)Br 7a_100000757476_100000708592 [0,2,0,0,0,0|1,1,0]=4 11653 B14R1.122 CCOCCCOCc1ccc(s1)C 34a_100000238367_100012232248 [0,2,0,0,0,0|1,1,0]=4 11654 B14R1.122 CCOCCCOCc1ccc(s1)Cl 34a_100000757476_100000185097 [0,2,0,0,0,0|1,1,0]=4 11655 B14R1.122 CCOCCCOCc1ccc(s1)Cl 7a_100000757476_100000185097 [0,2,0,0,0,0|1,1,0]=4 11656 B14R1.122 CCOCCCSCc1cc(cs1)Br 62a_100000746031_100012232248 [0,2,0,0,0,0|1,1,0]=4 11657 B14R1.122 CCOCCCSCc1cc(cs1)Br 62a_100012232248_100000746031 [0,2,0,0,0,0|1,1,0]=4 11658 B14R1.122 CCOCCCSCc1cc(no1)Br 62a_100000709089_100012232248 [0,2,0,0,0,0|2,0,0]=4 11659 B14R1.122 CCOCCCSCc1cc(no1)Br 62a_100012232248_100000709089 [0,2,0,0,0,0|2,0,0]=4 11660 B14R1.122 CCOCCCSCc1cc(no1)C 62a_100000707947_100012232248 [0,2,0,0,0,0|2,0,0]=4 11661 B14R1.122 CCOCCCSCc1cc(no1)C 62a_100012232248_100000707947 [0,2,0,0,0,0|2,0,0]=4 11662 B14R1.122 CCOCCCSCc1ccc(s1)Br 62a_100000708592_100012232248 [0,2,0,0,0,0|1,1,0]=4 11663 B14R1.122 CCOCCCSCc1ccc(s1)Br 62a_100012232248_100000708592 [0,2,0,0,0,0|1,1,0]=4 11664 B14R1.122 CCOCCCSCc1ccc(s1)Cl 62a_100000185097_100012232248 [0,2,0,0,0,0|1,1,0]=4 11665 B14R1.122 CCOCCCSCc1ccc(s1)Cl 62a_100012232248_100000185097 [0,2,0,0,0,0|1,1,0]=4 11666 B14R1.122 CCOCCNCCc1ccc(o1)C 2230a_100000739271_100011215890 [0,2,0,0,0,0|1,0,0]=3 11667 B14R1.122 CCOCCNCCc1ccc(o1)C 34a_100000739271_100000210147 [0,2,0,0,0,0|1,0,0]=3 11668 B14R1.122 CCOCCNCCc1ccc(s1)Br 2230a_100000217605_100011215890 [0,2,0,0,0,0|1,1,0]=4 11669 B14R1.122 CCOCCOCCc1cc(no1)Br 34a_100009816916_100000210147 [0,2,0,0,0,0|2,0,0]=4 11670 B14R1.122 CCOCCOCCc1ccc(o1)C 34a_100012161071_100000210147 [0,2,0,0,0,0|1,0,0]=3 11671 B14R1.122 CCOCCOCCc1ccc(o1)C 7a_100012161071_100011215890 [0,2,0,0,0,0|1,0,0]=3 11672 B14R1.122 CCSCCCOCc1cc(cs1)Br 34a_100011216438_100000746031 [0,2,0,0,0,0|1,1,0]=4 11673 B14R1.122 CCSCCCOCc1cc(cs1)Br 7a_100011216438_100000746031 [0,2,0,0,0,0|1,1,0]=4 11674 B14R1.122 CCSCCCOCc1cc(no1)Br 7a_100011216438_100000709089 [0,2,0,0,0,0|2,0,0]=4 11675 B14R1.122 CCSCCCOCc1cc(no1)C 34a_100011216438_100000707947 [0,2,0,0,0,0|2,0,0]=4 11676 B14R1.122 CCSCCCOCc1cc(no1)C 7a_100011216438_100000707947 [0,2,0,0,0,0|2,0,0]=4 11677 B14R1.122 CCSCCCOCc1ccc(s1)Br 34a_100011216438_100000708592 [0,2,0,0,0,0|1,1,0]=4 11678 B14R1.122 CCSCCCOCc1ccc(s1)Br 7a_100011216438_100000708592 [0,2,0,0,0,0|1,1,0]=4 11679 B14R1.122 CCSCCCOCc1ccc(s1)Cl 34a_100011216438_100000185097 [0,2,0,0,0,0|1,1,0]=4 11680 B14R1.122 CCSCCCOCc1ccc(s1)Cl 7a_100011216438_100000185097 [0,2,0,0,0,0|1,1,0]=4 11681 B14R1.122 CCSCCNCCc1ccc(o1)C 2230a_100000739271_100000757381 [0,2,0,0,0,0|1,0,0]=3 11682 B14R1.122 CCSCCNCCc1ccc(o1)C 34a_100000739271_100000757381 [0,2,0,0,0,0|1,0,0]=3 11683 B14R1.122 CCSCCNCCc1ccc(s1)Br 2230a_100000217605_100000757381 [0,2,0,0,0,0|1,1,0]=4 11684 B14R1.122 CCSCCOCCc1cc(no1)Br 34a_100009816916_100000757381 [0,2,0,0,0,0|2,0,0]=4 11685 B14R1.122 CCSCCOCCc1ccc(o1)C 34a_100012161071_100000757381 [0,2,0,0,0,0|1,0,0]=3 11686 B14R1.122 CCSCCOCCc1ccc(o1)C 7a_100012161071_100000757381 [0,2,0,0,0,0|1,0,0]=3 11687 B14R1.122 COCCCCNCc1cc(cs1)Br 2230a_100000741024_100000730899 [0,2,0,0,0,0|1,1,0]=4 11688 B14R1.122 COCCCCNCc1cc(cs1)Br 34a_100000741024_100000755781 [0,2,0,0,0,0|1,1,0]=4 11689 B14R1.122 COCCCCNCc1cc(cs1)C 2230a_100015204214_100000730899 [0,2,0,0,0,0|1,1,0]=4 11690 B14R1.122 COCCCCNCc1cc(cs1)C 34a_100015204214_100000755781 [0,2,0,0,0,0|1,1,0]=4 11691 B14R1.122 COCCCCNCc1cc(no1)Br 2230a_100015193020_100000730899 [0,2,0,0,0,0|2,0,0]=4 11692 B14R1.122 COCCCCNCc1cc(no1)Br 34a_100015193020_100000755781 [0,2,0,0,0,0|2,0,0]=4 11693 B14R1.122 COCCCCNCc1cc(no1)C 2230a_100000745748_100000730899 [0,2,0,0,0,0|2,0,0]=4 11694 B14R1.122 COCCCCNCc1cc(no1)C 34a_100000745748_100000755781 [0,2,0,0,0,0|2,0,0]=4 11695 B14R1.122 COCCCCNCc1ccc(o1)Br 34a_100000708654_100000755781 [0,2,0,0,0,0|1,0,0]=3 11696 B14R1.122 COCCCCNCc1ccc(o1)C 34a_100011194323_100000755781 [0,2,0,0,0,0|1,0,0]=3 11697 B14R1.122 COCCCCNCc1ccc(s1)C 2230a_100000238518_100000730899 [0,2,0,0,0,0|1,1,0]=4 11698 B14R1.122 COCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000730899 [0,2,0,0,0,0|1,1,0]=4 11699 B14R1.122 COCCCCNCc1ncc(o1)C 2230a_100138411809_100000730899 [0,2,0,0,0,0|2,0,0]=4 11700 B14R1.122 COCCCCNCc1ncc(o1)C 34a_100138411809_100000755781 [0,2,0,0,0,0|2,0,0]=4 11701 B14R1.122 COCCCCOCc1cc(cs1)Br 34a_100000238369_100000755781 [0,2,0,0,0,0|1,1,0]=4 11702 B14R1.122 COCCCCOCc1cc(cs1)Br 34a_100000740925_100000746031 [0,2,0,0,0,0|1,1,0]=4 11703 B14R1.122 COCCCCOCc1cc(cs1)Br 7a_100000238369_100000730899 [0,2,0,0,0,0|1,1,0]=4 11704 B14R1.122 COCCCCOCc1cc(cs1)C 34a_200000068372_100000755781 [0,2,0,0,0,0|1,1,0]=4 11705 B14R1.122 COCCCCOCc1cc(cs1)C 7a_200000068372_100000730899 [0,2,0,0,0,0|1,1,0]=4 11706 B14R1.122 COCCCCOCc1cc(no1)Br 34a_100009816691_100000755781 [0,2,0,0,0,0|2,0,0]=4 11707 B14R1.122 COCCCCOCc1cc(no1)C 34a_100000684692_100000755781 [0,2,0,0,0,0|2,0,0]=4 11708 B14R1.122 COCCCCOCc1cc(no1)C 34a_100000740925_100000707947 [0,2,0,0,0,0|2,0,0]=4 11709 B14R1.122 COCCCCOCc1ccc(o1)Br 34a_100000246276_100000755781 [0,2,0,0,0,0|1,0,0]=3 11710 B14R1.122 COCCCCOCc1ccc(o1)Br 7a_100000246276_100000730899 [0,2,0,0,0,0|1,0,0]=3 11711 B14R1.122 COCCCCOCc1ccc(o1)C 34a_100011232665_100000755781 [0,2,0,0,0,0|1,0,0]=3 11712 B14R1.122 COCCCCOCc1ccc(o1)C 7a_100011232665_100000730899 [0,2,0,0,0,0|1,0,0]=3 11713 B14R1.122 COCCCCOCc1ccc(s1)Br 34a_100000740925_100000708592 [0,2,0,0,0,0|1,1,0]=4 11714 B14R1.122 COCCCCOCc1ccc(s1)C 34a_100000238367_100000755781 [0,2,0,0,0,0|1,1,0]=4 11715 B14R1.122 COCCCCOCc1ccc(s1)Cl 34a_100000740925_100000185097 [0,2,0,0,0,0|1,1,0]=4 11716 B14R1.122 COCCCCSCc1cc(cs1)Br 62a_100000730899_100000746031 [0,2,0,0,0,0|1,1,0]=4 11717 B14R1.122 COCCCCSCc1cc(cs1)Br 62a_100000746031_100000730899 [0,2,0,0,0,0|1,1,0]=4 11718 B14R1.122 COCCCCSCc1cc(no1)Br 62a_100000709089_100000730899 [0,2,0,0,0,0|2,0,0]=4 11719 B14R1.122 COCCCCSCc1cc(no1)Br 62a_100000730899_100000709089 [0,2,0,0,0,0|2,0,0]=4 11720 B14R1.122 COCCCCSCc1cc(no1)C 62a_100000707947_100000730899 [0,2,0,0,0,0|2,0,0]=4 11721 B14R1.122 COCCCCSCc1cc(no1)C 62a_100000730899_100000707947 [0,2,0,0,0,0|2,0,0]=4 11722 B14R1.122 COCCCCSCc1ccc(s1)Br 62a_100000708592_100000730899 [0,2,0,0,0,0|1,1,0]=4 11723 B14R1.122 COCCCCSCc1ccc(s1)Br 62a_100000730899_100000708592 [0,2,0,0,0,0|1,1,0]=4 11724 B14R1.122 COCCCCSCc1ccc(s1)Cl 62a_100000185097_100000730899 [0,2,0,0,0,0|1,1,0]=4 11725 B14R1.122 COCCCCSCc1ccc(s1)Cl 62a_100000730899_100000185097 [0,2,0,0,0,0|1,1,0]=4 11726 B14R1.122 COCCCNCCc1ccc(o1)C 2230a_100000739271_100000740836 [0,2,0,0,0,0|1,0,0]=3 11727 B14R1.122 COCCCNCCc1ccc(o1)C 34a_100000739271_100000740836 [0,2,0,0,0,0|1,0,0]=3 11728 B14R1.122 COCCCNCCc1ccc(s1)Br 2230a_100000217605_100000740836 [0,2,0,0,0,0|1,1,0]=4 11729 B14R1.122 COCCCOCCc1cc(no1)Br 34a_100009816916_100000740836 [0,2,0,0,0,0|2,0,0]=4 11730 B14R1.122 COCCCOCCc1ccc(o1)C 34a_100012161071_100000740836 [0,2,0,0,0,0|1,0,0]=3 11731 B14R1.122 COCCCOCCc1ccc(o1)C 7a_100012161071_100000740836 [0,2,0,0,0,0|1,0,0]=3 11732 B14R1.122 CSCCCCOCc1cc(cs1)Br 34a_100011217163_100000746031 [0,2,0,0,0,0|1,1,0]=4 11733 B14R1.122 CSCCCCOCc1cc(cs1)Br 7a_100011217163_100000746031 [0,2,0,0,0,0|1,1,0]=4 11734 B14R1.122 CSCCCCOCc1cc(no1)Br 7a_100011217163_100000709089 [0,2,0,0,0,0|2,0,0]=4 11735 B14R1.122 CSCCCCOCc1cc(no1)C 34a_100011217163_100000707947 [0,2,0,0,0,0|2,0,0]=4 11736 B14R1.122 CSCCCCOCc1cc(no1)C 7a_100011217163_100000707947 [0,2,0,0,0,0|2,0,0]=4 11737 B14R1.122 CSCCCCOCc1ccc(s1)Br 34a_100011217163_100000708592 [0,2,0,0,0,0|1,1,0]=4 11738 B14R1.122 CSCCCCOCc1ccc(s1)Br 7a_100011217163_100000708592 [0,2,0,0,0,0|1,1,0]=4 11739 B14R1.122 CSCCCCOCc1ccc(s1)Cl 34a_100011217163_100000185097 [0,2,0,0,0,0|1,1,0]=4 11740 B14R1.122 CSCCCCOCc1ccc(s1)Cl 7a_100011217163_100000185097 [0,2,0,0,0,0|1,1,0]=4 11741 B14R1.122 Cc1cc(on1)CNCCCCCF 2230a_100000745748_100000729378 [0,2,0,0,0,0|2,0,0]=4 11742 B14R1.122 Cc1cc(on1)CNCCCCCF 34a_100000745748_100000729378 [0,2,0,0,0,0|2,0,0]=4 11743 B14R1.122 Cc1cc(on1)CNCCCCCO 207a_100000762737_100011794430 [0,2,0,0,0,0|2,0,0]=4 11744 B14R1.122 Cc1cc(on1)CNCCCCCO 2230a_100000745748_100000746330 [0,2,0,0,0,0|2,0,0]=4 11745 B14R1.122 Cc1cc(on1)CNCCCCCO 2230a_100000762737_100000707947 [0,2,0,0,0,0|2,0,0]=4 11746 B14R1.122 Cc1cc(on1)CNCCCCCO 270004a_100000762737_100011794430 [0,2,0,0,0,0|2,0,0]=4 11747 B14R1.122 Cc1cc(on1)CNCCCCCO 34a_100000745748_100000746330 [0,2,0,0,0,0|2,0,0]=4 11748 B14R1.122 Cc1cc(on1)CNCCCCCO 34a_100000762737_100000707947 [0,2,0,0,0,0|2,0,0]=4 11749 B14R1.122 Cc1cc(on1)COCCCCCBr 34a_100000746331_100000707947 [0,2,0,0,0,0|2,0,0]=4 11750 B14R1.122 Cc1cc(on1)COCCCCCBr 7a_100000746331_100000707947 [0,2,0,0,0,0|2,0,0]=4 11751 B14R1.122 Cc1cc(on1)COCCCCCCl 34a_100000746330_100000707947 [0,2,0,0,0,0|2,0,0]=4 11752 B14R1.122 Cc1cc(on1)COCCCCCCl 7a_100000746330_100000707947 [0,2,0,0,0,0|2,0,0]=4 11753 B14R1.122 Cc1cc(on1)COCCCCCF 34a_100000684692_100000729378 [0,2,0,0,0,0|2,0,0]=4 11754 B14R1.122 Cc1cc(on1)COCCCCCI 34a_200012148887_100000707947 [0,2,0,0,0,0|2,0,0]=4 11755 B14R1.122 Cc1cc(on1)COCCCCCI 7a_200012148887_100000707947 [0,2,0,0,0,0|2,0,0]=4 11756 B14R1.122 Cc1cc(on1)COCCCCCN 34a_100000762737_100000707947 [0,2,0,0,0,0|2,0,0]=4 11757 B14R1.122 Cc1cc(on1)COCCCCCO 34a_100000684692_100000746330 [0,2,0,0,0,0|2,0,0]=4 11758 B14R1.122 Cc1cc(on1)CSCCCCCF 62a_100000707947_100000729378 [0,2,0,0,0,0|2,0,0]=4 11759 B14R1.122 Cc1cc(on1)CSCCCCCF 62a_100000729378_100000707947 [0,2,0,0,0,0|2,0,0]=4 11760 B14R1.122 Cc1cc(on1)CSCCCCCO 62a_100000707947_100000746330 [0,2,0,0,0,0|2,0,0]=4 11761 B14R1.122 Cc1cc(on1)CSCCCCCO 62a_100000746330_100000707947 [0,2,0,0,0,0|2,0,0]=4 11762 B14R1.122 Cc1ccc(o1)CCNCCCC#N 2230a_100000739271_100000687738 [0,2,0,0,0,0|1,0,1]=4 11763 B14R1.122 Cc1ccc(o1)CCNCCCC=O 2230a_100000739271_200011292268 [0,2,0,0,0,0|1,0,1]=4 11764 B14R1.122 Cc1ccc(o1)CCNCCCCF 2230a_100000739271_100000729493 [0,2,0,0,0,0|1,0,0]=3 11765 B14R1.122 Cc1ccc(o1)CCNCCCCF 34a_100000739271_100000729493 [0,2,0,0,0,0|1,0,0]=3 11766 B14R1.122 Cc1ccc(o1)CCNCCCCO 2230a_100000739271_100000210776 [0,2,0,0,0,0|1,0,0]=3 11767 B14R1.122 Cc1ccc(o1)CCNCCCCO 34a_100000739271_100011216708 [0,2,0,0,0,0|1,0,0]=3 11768 B14R1.122 Cc1ccc(o1)CCOCCCC#N 7a_100012161071_100000687738 [0,2,0,0,0,0|1,0,1]=4 11769 B14R1.122 Cc1ccc(o1)CCOCCCC=O 7a_100012161071_200011292268 [0,2,0,0,0,0|1,0,1]=4 11770 B14R1.122 Cc1ccc(o1)CCOCCCCF 34a_100012161071_100000729493 [0,2,0,0,0,0|1,0,0]=3 11771 B14R1.122 Cc1ccc(o1)CCOCCCCF 7a_100012161071_100000729493 [0,2,0,0,0,0|1,0,0]=3 11772 B14R1.122 Cc1ccc(o1)CCOCCCCO 34a_100012161071_100011216708 [0,2,0,0,0,0|1,0,0]=3 11773 B14R1.122 Cc1ccc(o1)CCOCCCCO 7a_100012161071_100000210776 [0,2,0,0,0,0|1,0,0]=3 11774 B14R1.122 Cc1ccc(o1)CNCCCCC#N 270004a_100000751965_100000183696 [0,2,0,0,0,0|1,0,1]=4 11775 B14R1.122 Cc1ccc(o1)CNCCCCCF 34a_100011194323_100000729378 [0,2,0,0,0,0|1,0,0]=3 11776 B14R1.122 Cc1ccc(o1)CNCCCCCO 207a_100000762737_100000183696 [0,2,0,0,0,0|1,0,0]=3 11777 B14R1.122 Cc1ccc(o1)CNCCCCCO 270004a_100000762737_100000183696 [0,2,0,0,0,0|1,0,0]=3 11778 B14R1.122 Cc1ccc(o1)CNCCCCCO 34a_100011194323_100000746330 [0,2,0,0,0,0|1,0,0]=3 11779 B14R1.122 Cc1ccc(o1)CNCCOCCO 207a_100000211614_100000183696 [0,2,0,0,0,0|2,0,0]=4 11780 B14R1.122 Cc1ccc(o1)CNCCOCCO 270004a_100000211614_100000183696 [0,2,0,0,0,0|2,0,0]=4 11781 B14R1.122 Cc1ccc(o1)CNCCOCCO 34a_100011194323_100000692535 [0,2,0,0,0,0|2,0,0]=4 11782 B14R1.122 Cc1ccc(o1)CNCCSCCO 207a_100011219999_100000183696 [0,2,0,0,0,0|2,0,0]=4 11783 B14R1.122 Cc1ccc(o1)CNCCSCCO 270004a_100011219999_100000183696 [0,2,0,0,0,0|2,0,0]=4 11784 B14R1.122 Cc1ccc(o1)COCCCCC#N 7a_100011232665_100000211819 [0,2,0,0,0,0|1,0,1]=4 11785 B14R1.122 Cc1ccc(o1)COCCCCC=O 7a_100011232665_100000139335 [0,2,0,0,0,0|1,0,1]=4 11786 B14R1.122 Cc1ccc(o1)COCCCCCF 34a_100011232665_100000729378 [0,2,0,0,0,0|1,0,0]=3 11787 B14R1.122 Cc1ccc(o1)COCCCCCF 7a_100011232665_100000729378 [0,2,0,0,0,0|1,0,0]=3 11788 B14R1.122 Cc1ccc(o1)COCCCCCO 34a_100011232665_100000746330 [0,2,0,0,0,0|1,0,0]=3 11789 B14R1.122 Cc1ccc(o1)COCCCCCO 7a_100011232665_100000746330 [0,2,0,0,0,0|1,0,0]=3 11790 B14R1.122 Cc1ccc(o1)COCCOCCO 34a_100011232665_100000692535 [0,2,0,0,0,0|2,0,0]=4 11791 B14R1.122 Cc1ccc(o1)COCCOCCO 7a_100011232665_100011215305 [0,2,0,0,0,0|2,0,0]=4 11792 B14R1.122 Cc1ccc(s1)CNCCCCCF 2230a_100000238518_100000729378 [0,2,0,0,0,0|1,1,0]=4 11793 B14R1.122 Cc1ccc(s1)CNCCCCCO 207a_100000762737_100000211121 [0,2,0,0,0,0|1,1,0]=4 11794 B14R1.122 Cc1ccc(s1)CNCCCCCO 2230a_100000238518_100000746330 [0,2,0,0,0,0|1,1,0]=4 11795 B14R1.122 Cc1ccc(s1)CNCCCCCO 270004a_100000762737_100000211121 [0,2,0,0,0,0|1,1,0]=4 11796 B14R1.122 Cc1ccc(s1)COCCCCCF 34a_100000238367_100000729378 [0,2,0,0,0,0|1,1,0]=4 11797 B14R1.122 Cc1ccc(s1)COCCCCCO 34a_100000238367_100000746330 [0,2,0,0,0,0|1,1,0]=4 11798 B14R1.122 Cc1ccc(s1)SCCCCCCF 62a_100000031368_100015922095 [0,2,0,0,0,0|1,1,0]=4 11799 B14R1.122 Cc1ccc(s1)SCCCCCCF 62a_100015922095_100000031368 [0,2,0,0,0,0|1,1,0]=4 11800 B14R1.122 Cc1ccc(s1)SCCCCCCO 62a_100000031368_100000766143 [0,2,0,0,0,0|1,1,0]=4 11801 B14R1.122 Cc1ccc(s1)SCCCCCCO 62a_100000766143_100000031368 [0,2,0,0,0,0|1,1,0]=4 11802 B14R1.122 Cc1cnc(o1)CNCCCCCF 2230a_100138411809_100000729378 [0,2,0,0,0,0|2,0,0]=4 11803 B14R1.122 Cc1cnc(o1)CNCCCCCF 34a_100138411809_100000729378 [0,2,0,0,0,0|2,0,0]=4 11804 B14R1.122 Cc1cnc(o1)CNCCCCCO 2230a_100138411809_100000746330 [0,2,0,0,0,0|2,0,0]=4 11805 B14R1.122 Cc1cnc(o1)CNCCCCCO 34a_100138411809_100000746330 [0,2,0,0,0,0|2,0,0]=4 11806 B14R1.122 Cc1csc(c1)CNCCCCCF 2230a_100015204214_100000729378 [0,2,0,0,0,0|1,1,0]=4 11807 B14R1.122 Cc1csc(c1)CNCCCCCF 34a_100015204214_100000729378 [0,2,0,0,0,0|1,1,0]=4 11808 B14R1.122 Cc1csc(c1)CNCCCCCO 207a_100000762737_100102525248 [0,2,0,0,0,0|1,1,0]=4 11809 B14R1.122 Cc1csc(c1)CNCCCCCO 2230a_100015204214_100000746330 [0,2,0,0,0,0|1,1,0]=4 11810 B14R1.122 Cc1csc(c1)CNCCCCCO 270004a_100000762737_100102525248 [0,2,0,0,0,0|1,1,0]=4 11811 B14R1.122 Cc1csc(c1)CNCCCCCO 34a_100015204214_100000746330 [0,2,0,0,0,0|1,1,0]=4 11812 B14R1.122 Cc1csc(c1)COCCCCCF 34a_200000068372_100000729378 [0,2,0,0,0,0|1,1,0]=4 11813 B14R1.122 Cc1csc(c1)COCCCCCF 7a_200000068372_100000729378 [0,2,0,0,0,0|1,1,0]=4 11814 B14R1.122 Cc1csc(c1)COCCCCCO 34a_200000068372_100000746330 [0,2,0,0,0,0|1,1,0]=4 11815 B14R1.122 Cc1csc(c1)COCCCCCO 7a_200000068372_100000746330 [0,2,0,0,0,0|1,1,0]=4 11816 B14R1.122 Cc1csc(c1)SCCCCCCF 62a_100009876951_100015922095 [0,2,0,0,0,0|1,1,0]=4 11817 B14R1.122 Cc1csc(c1)SCCCCCCF 62a_100015922095_100009876951 [0,2,0,0,0,0|1,1,0]=4 11818 B14R1.122 Cc1csc(c1)SCCCCCCO 62a_100000766143_100009876951 [0,2,0,0,0,0|1,1,0]=4 11819 B14R1.122 Cc1csc(c1)SCCCCCCO 62a_100009876951_100000766143 [0,2,0,0,0,0|1,1,0]=4 11820 B14R1.122 Cc1ncc(o1)CNCCCCCO 207a_100000762737_100000084308 [0,2,0,0,0,0|2,0,0]=4 11821 B14R1.122 Cc1ncc(o1)CNCCCCCO 270004a_100000762737_100000084308 [0,2,0,0,0,0|2,0,0]=4 11822 B14R1.122 Cc1noc(n1)CCCCCCCO 270196a_100000212224_100011219782 [0,2,0,0,0,0|2,0,0]=4 11823 B14R1.122 ClCCCCCOCc1cc(cs1)Br 34a_100000746330_100000746031 [0,2,0,0,0,0|1,1,0]=4 11824 B14R1.122 ClCCCCCOCc1cc(cs1)Br 7a_100000746330_100000746031 [0,2,0,0,0,0|1,1,0]=4 11825 B14R1.122 ClCCCCCOCc1cc(no1)Br 7a_100000746330_100000709089 [0,2,0,0,0,0|2,0,0]=4 11826 B14R1.122 ClCCCCCOCc1ccc(s1)Br 34a_100000746330_100000708592 [0,2,0,0,0,0|1,1,0]=4 11827 B14R1.122 ClCCCCCOCc1ccc(s1)Br 7a_100000746330_100000708592 [0,2,0,0,0,0|1,1,0]=4 11828 B14R1.122 ClCCCCCOCc1ccc(s1)Cl 34a_100000746330_100000185097 [0,2,0,0,0,0|1,1,0]=4 11829 B14R1.122 ClCCCCCOCc1ccc(s1)Cl 7a_100000746330_100000185097 [0,2,0,0,0,0|1,1,0]=4 11830 B14R1.122 Clc1ccc(s1)COCCCCCBr 34a_100000746331_100000185097 [0,2,0,0,0,0|1,1,0]=4 11831 B14R1.122 Clc1ccc(s1)COCCCCCBr 7a_100000746331_100000185097 [0,2,0,0,0,0|1,1,0]=4 11832 B14R1.122 Clc1ccc(s1)COCCCCCI 34a_200012148887_100000185097 [0,2,0,0,0,0|1,1,0]=4 11833 B14R1.122 Clc1ccc(s1)COCCCCCI 7a_200012148887_100000185097 [0,2,0,0,0,0|1,1,0]=4 11834 B14R1.122 FCCCCCCSc1ccc(s1)Br 62a_100010197418_100015922095 [0,2,0,0,0,0|1,1,0]=4 11835 B14R1.122 FCCCCCCSc1ccc(s1)Br 62a_100015922095_100010197418 [0,2,0,0,0,0|1,1,0]=4 11836 B14R1.122 FCCCCCNCc1cc(cs1)Br 2230a_100000741024_100000729378 [0,2,0,0,0,0|1,1,0]=4 11837 B14R1.122 FCCCCCNCc1cc(cs1)Br 34a_100000741024_100000729378 [0,2,0,0,0,0|1,1,0]=4 11838 B14R1.122 FCCCCCNCc1cc(no1)Br 2230a_100015193020_100000729378 [0,2,0,0,0,0|2,0,0]=4 11839 B14R1.122 FCCCCCNCc1cc(no1)Br 34a_100015193020_100000729378 [0,2,0,0,0,0|2,0,0]=4 11840 B14R1.122 FCCCCCNCc1ccc(o1)Br 34a_100000708654_100000729378 [0,2,0,0,0,0|1,0,0]=3 11841 B14R1.122 FCCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000729378 [0,2,0,0,0,0|1,1,0]=4 11842 B14R1.122 FCCCCCOCc1cc(cs1)Br 34a_100000238369_100000729378 [0,2,0,0,0,0|1,1,0]=4 11843 B14R1.122 FCCCCCOCc1cc(cs1)Br 7a_100000238369_100000729378 [0,2,0,0,0,0|1,1,0]=4 11844 B14R1.122 FCCCCCOCc1cc(no1)Br 34a_100009816691_100000729378 [0,2,0,0,0,0|2,0,0]=4 11845 B14R1.122 FCCCCCOCc1ccc(o1)Br 34a_100000246276_100000729378 [0,2,0,0,0,0|1,0,0]=3 11846 B14R1.122 FCCCCCOCc1ccc(o1)Br 7a_100000246276_100000729378 [0,2,0,0,0,0|1,0,0]=3 11847 B14R1.122 FCCCCCSCc1cc(cs1)Br 62a_100000729378_100000746031 [0,2,0,0,0,0|1,1,0]=4 11848 B14R1.122 FCCCCCSCc1cc(cs1)Br 62a_100000746031_100000729378 [0,2,0,0,0,0|1,1,0]=4 11849 B14R1.122 FCCCCCSCc1cc(no1)Br 62a_100000709089_100000729378 [0,2,0,0,0,0|2,0,0]=4 11850 B14R1.122 FCCCCCSCc1cc(no1)Br 62a_100000729378_100000709089 [0,2,0,0,0,0|2,0,0]=4 11851 B14R1.122 FCCCCCSCc1ccc(s1)Br 62a_100000708592_100000729378 [0,2,0,0,0,0|1,1,0]=4 11852 B14R1.122 FCCCCCSCc1ccc(s1)Br 62a_100000729378_100000708592 [0,2,0,0,0,0|1,1,0]=4 11853 B14R1.122 FCCCCCSCc1ccc(s1)Cl 62a_100000185097_100000729378 [0,2,0,0,0,0|1,1,0]=4 11854 B14R1.122 FCCCCCSCc1ccc(s1)Cl 62a_100000729378_100000185097 [0,2,0,0,0,0|1,1,0]=4 11855 B14R1.122 FCCCCNCCc1ccc(s1)Br 2230a_100000217605_100000729493 [0,2,0,0,0,0|1,1,0]=4 11856 B14R1.122 FCCCCOCCc1cc(no1)Br 34a_100009816916_100000729493 [0,2,0,0,0,0|2,0,0]=4 11857 B14R1.122 N#CCCCCNCc1cc(co1)Br 270004a_100000751965_100000747035 [0,2,0,0,0,0|1,0,1]=4 11858 B14R1.122 N#CCCCCNCc1ccc(o1)Br 270004a_100000751965_100000185145 [0,2,0,0,0,0|1,0,1]=4 11859 B14R1.122 N#CCCCCNCc1ccc(o1)Cl 270004a_100000751965_100000188459 [0,2,0,0,0,0|1,0,1]=4 11860 B14R1.122 N#CCCCCOCc1ccc(o1)Br 7a_100000246276_100000211819 [0,2,0,0,0,0|1,0,1]=4 11861 B14R1.122 NCCCCCOCc1cc(cs1)Br 34a_100000762737_100000746031 [0,2,0,0,0,0|1,1,0]=4 11862 B14R1.122 NCCCCCOCc1ccc(s1)Br 34a_100000762737_100000708592 [0,2,0,0,0,0|1,1,0]=4 11863 B14R1.122 NCCCCCOCc1ccc(s1)Cl 34a_100000762737_100000185097 [0,2,0,0,0,0|1,1,0]=4 11864 B14R1.122 O=CCCCCOCc1ccc(o1)Br 7a_100000246276_100000139335 [0,2,0,0,0,0|1,0,1]=4 11865 B14R1.122 OCCCCCCSc1ccc(s1)Br 62a_100000766143_100010197418 [0,2,0,0,0,0|1,1,0]=4 11866 B14R1.122 OCCCCCCSc1ccc(s1)Br 62a_100010197418_100000766143 [0,2,0,0,0,0|1,1,0]=4 11867 B14R1.122 OCCCCCNCc1cc(c[nH]1)Br 270004a_100000762737_100000720742 [0,2,0,0,0,0|2,0,0]=4 11868 B14R1.122 OCCCCCNCc1cc(co1)Br 270004a_100000762737_100000747035 [0,2,0,0,0,0|1,0,0]=3 11869 B14R1.122 OCCCCCNCc1cc(cs1)Br 207a_100000762737_100000211722 [0,2,0,0,0,0|1,1,0]=4 11870 B14R1.122 OCCCCCNCc1cc(cs1)Br 2230a_100000741024_100000746330 [0,2,0,0,0,0|1,1,0]=4 11871 B14R1.122 OCCCCCNCc1cc(cs1)Br 2230a_100000762737_100000746031 [0,2,0,0,0,0|1,1,0]=4 11872 B14R1.122 OCCCCCNCc1cc(cs1)Br 270004a_100000762737_100000211722 [0,2,0,0,0,0|1,1,0]=4 11873 B14R1.122 OCCCCCNCc1cc(cs1)Br 34a_100000741024_100000746330 [0,2,0,0,0,0|1,1,0]=4 11874 B14R1.122 OCCCCCNCc1cc(cs1)Br 34a_100000762737_100000746031 [0,2,0,0,0,0|1,1,0]=4 11875 B14R1.122 OCCCCCNCc1cc(cs1)Cl 207a_100000762737_100000102487 [0,2,0,0,0,0|1,1,0]=4 11876 B14R1.122 OCCCCCNCc1cc(cs1)Cl 270004a_100000762737_100000102487 [0,2,0,0,0,0|1,1,0]=4 11877 B14R1.122 OCCCCCNCc1cc(cs1)I 207a_100000762737_100010179861 [0,2,0,0,0,0|1,1,0]=4 11878 B14R1.122 OCCCCCNCc1cc(no1)Br 2230a_100015193020_100000746330 [0,2,0,0,0,0|2,0,0]=4 11879 B14R1.122 OCCCCCNCc1cc(no1)Br 270004a_100000762737_100009819588 [0,2,0,0,0,0|2,0,0]=4 11880 B14R1.122 OCCCCCNCc1cc(no1)Br 34a_100015193020_100000746330 [0,2,0,0,0,0|2,0,0]=4 11881 B14R1.122 OCCCCCNCc1ccc(o1)Br 207a_100000762737_100000185145 [0,2,0,0,0,0|1,0,0]=3 11882 B14R1.122 OCCCCCNCc1ccc(o1)Br 270004a_100000762737_100000185145 [0,2,0,0,0,0|1,0,0]=3 11883 B14R1.122 OCCCCCNCc1ccc(o1)Br 34a_100000708654_100000746330 [0,2,0,0,0,0|1,0,0]=3 11884 B14R1.122 OCCCCCNCc1ccc(o1)Cl 207a_100000762737_100000188459 [0,2,0,0,0,0|1,0,0]=3 11885 B14R1.122 OCCCCCNCc1ccc(o1)Cl 270004a_100000762737_100000188459 [0,2,0,0,0,0|1,0,0]=3 11886 B14R1.122 OCCCCCNCc1ccc(o1)I 207a_100000762737_100000186757 [0,2,0,0,0,0|1,0,0]=3 11887 B14R1.122 OCCCCCNCc1ccc(s1)Br 207a_100000762737_100000179771 [0,2,0,0,0,0|1,1,0]=4 11888 B14R1.122 OCCCCCNCc1ccc(s1)Br 2230a_100000762737_100000708592 [0,2,0,0,0,0|1,1,0]=4 11889 B14R1.122 OCCCCCNCc1ccc(s1)Br 270004a_100000762737_100000179771 [0,2,0,0,0,0|1,1,0]=4 11890 B14R1.122 OCCCCCNCc1ccc(s1)Br 34a_100000762737_100000708592 [0,2,0,0,0,0|1,1,0]=4 11891 B14R1.122 OCCCCCNCc1ccc(s1)Cl 207a_100000762737_100000242774 [0,2,0,0,0,0|1,1,0]=4 11892 B14R1.122 OCCCCCNCc1ccc(s1)Cl 2230a_100000737310_100000746330 [0,2,0,0,0,0|1,1,0]=4 11893 B14R1.122 OCCCCCNCc1ccc(s1)Cl 2230a_100000762737_100000185097 [0,2,0,0,0,0|1,1,0]=4 11894 B14R1.122 OCCCCCNCc1ccc(s1)Cl 270004a_100000762737_100000242774 [0,2,0,0,0,0|1,1,0]=4 11895 B14R1.122 OCCCCCNCc1ccc(s1)Cl 34a_100000762737_100000185097 [0,2,0,0,0,0|1,1,0]=4 11896 B14R1.122 OCCCCCOCc1cc(cs1)Br 34a_100000238369_100000746330 [0,2,0,0,0,0|1,1,0]=4 11897 B14R1.122 OCCCCCOCc1cc(cs1)Br 7a_100000238369_100000746330 [0,2,0,0,0,0|1,1,0]=4 11898 B14R1.122 OCCCCCOCc1cc(no1)Br 34a_100009816691_100000746330 [0,2,0,0,0,0|2,0,0]=4 11899 B14R1.122 OCCCCCOCc1ccc(o1)Br 34a_100000246276_100000746330 [0,2,0,0,0,0|1,0,0]=3 11900 B14R1.122 OCCCCCOCc1ccc(o1)Br 7a_100000246276_100000746330 [0,2,0,0,0,0|1,0,0]=3 11901 B14R1.122 OCCCCCSCc1cc(cs1)Br 62a_100000746031_100000746330 [0,2,0,0,0,0|1,1,0]=4 11902 B14R1.122 OCCCCCSCc1cc(cs1)Br 62a_100000746330_100000746031 [0,2,0,0,0,0|1,1,0]=4 11903 B14R1.122 OCCCCCSCc1cc(no1)Br 62a_100000709089_100000746330 [0,2,0,0,0,0|2,0,0]=4 11904 B14R1.122 OCCCCCSCc1cc(no1)Br 62a_100000746330_100000709089 [0,2,0,0,0,0|2,0,0]=4 11905 B14R1.122 OCCCCCSCc1ccc(s1)Br 62a_100000708592_100000746330 [0,2,0,0,0,0|1,1,0]=4 11906 B14R1.122 OCCCCCSCc1ccc(s1)Br 62a_100000746330_100000708592 [0,2,0,0,0,0|1,1,0]=4 11907 B14R1.122 OCCCCCSCc1ccc(s1)Cl 62a_100000185097_100000746330 [0,2,0,0,0,0|1,1,0]=4 11908 B14R1.122 OCCCCCSCc1ccc(s1)Cl 62a_100000746330_100000185097 [0,2,0,0,0,0|1,1,0]=4 11909 B14R1.122 OCCCCNCCc1ccc(s1)Br 2230a_100000217605_100000210776 [0,2,0,0,0,0|1,1,0]=4 11910 B14R1.122 OCCCCOCCc1cc(no1)Br 34a_100009816916_100011216708 [0,2,0,0,0,0|2,0,0]=4 11911 B14R1.122 OCCOCCNCc1cc(co1)Br 270004a_100000211614_100000747035 [0,2,0,0,0,0|2,0,0]=4 11912 B14R1.122 OCCOCCNCc1ccc(o1)Br 207a_100000211614_100000185145 [0,2,0,0,0,0|2,0,0]=4 11913 B14R1.122 OCCOCCNCc1ccc(o1)Br 270004a_100000211614_100000185145 [0,2,0,0,0,0|2,0,0]=4 11914 B14R1.122 OCCOCCNCc1ccc(o1)Br 34a_100000708654_100000692535 [0,2,0,0,0,0|2,0,0]=4 11915 B14R1.122 OCCOCCNCc1ccc(o1)Cl 207a_100000211614_100000188459 [0,2,0,0,0,0|2,0,0]=4 11916 B14R1.122 OCCOCCNCc1ccc(o1)Cl 270004a_100000211614_100000188459 [0,2,0,0,0,0|2,0,0]=4 11917 B14R1.122 OCCOCCNCc1ccc(o1)I 207a_100000211614_100000186757 [0,2,0,0,0,0|2,0,0]=4 11918 B14R1.122 OCCOCCOCc1ccc(o1)Br 34a_100000246276_100000692535 [0,2,0,0,0,0|2,0,0]=4 11919 B14R1.122 OCCOCCOCc1ccc(o1)Br 7a_100000246276_100011215305 [0,2,0,0,0,0|2,0,0]=4 11920 B14R1.122 OCCSCCNCc1cc(co1)Br 270004a_100011219999_100000747035 [0,2,0,0,0,0|2,0,0]=4 11921 B14R1.122 OCCSCCNCc1ccc(o1)Br 207a_100011219999_100000185145 [0,2,0,0,0,0|2,0,0]=4 11922 B14R1.122 OCCSCCNCc1ccc(o1)Br 270004a_100011219999_100000185145 [0,2,0,0,0,0|2,0,0]=4 11923 B14R1.122 OCCSCCNCc1ccc(o1)Cl 207a_100011219999_100000188459 [0,2,0,0,0,0|2,0,0]=4 11924 B14R1.122 OCCSCCNCc1ccc(o1)Cl 270004a_100011219999_100000188459 [0,2,0,0,0,0|2,0,0]=4 11925 B14R1.122 OCCSCCNCc1ccc(o1)I 207a_100011219999_100000186757 [0,2,0,0,0,0|2,0,0]=4 11926 B14R1.128 C=C(C)CCNCCc1ccc(o1)C 2230a_100000739271_100000730704 [0,2,0,0,0,0|1,0,1]=4 11927 B14R1.128 C=C(C)CCNCCc1ccc(o1)C 34a_100000739271_100000730704 [0,2,0,0,0,0|1,0,1]=4 11928 B14R1.128 C=C(C)CCOCCc1ccc(o1)C 34a_100012161071_100000730704 [0,2,0,0,0,0|1,0,1]=4 11929 B14R1.128 C=C(C)CCOCCc1ccc(o1)C 7a_100012161071_100000730704 [0,2,0,0,0,0|1,0,1]=4 11930 B14R1.128 CC(=O)CCCNCc1ccc(o1)Br 34a_100000708654_100000685027 [0,2,0,0,0,0|1,0,1]=4 11931 B14R1.128 CC(=O)CCCNCc1ccc(o1)C 34a_100011194323_100000685027 [0,2,0,0,0,0|1,0,1]=4 11932 B14R1.128 CC(=O)CCCOCc1ccc(o1)Br 34a_100000246276_100000685027 [0,2,0,0,0,0|1,0,1]=4 11933 B14R1.128 CC(=O)CCCOCc1ccc(o1)Br 7a_100000246276_100011215641 [0,2,0,0,0,0|1,0,1]=4 11934 B14R1.128 CC(=O)CCCOCc1ccc(o1)C 34a_100011232665_100000685027 [0,2,0,0,0,0|1,0,1]=4 11935 B14R1.128 CC(=O)CCCOCc1ccc(o1)C 7a_100011232665_100011215641 [0,2,0,0,0,0|1,0,1]=4 11936 B14R1.128 CC(=O)CCOCCc1ccc(o1)C 7a_100012161071_100000053229 [0,2,0,0,0,0|1,0,1]=4 11937 B14R1.128 CC(C)CCCCSc1ccc(s1)Br 62a_100010197418_100011216152 [0,2,0,0,0,0|1,1,0]=4 11938 B14R1.128 CC(C)CCCCSc1ccc(s1)Br 62a_100011216152_100010197418 [0,2,0,0,0,0|1,1,0]=4 11939 B14R1.128 CC(C)CCCNCc1cc(c[nH]1)Br 270004a_200000737386_100000720742 [0,2,0,0,0,0|2,0,0]=4 11940 B14R1.128 CC(C)CCCNCc1cc(co1)Br 270004a_200000737386_100000747035 [0,2,0,0,0,0|1,0,0]=3 11941 B14R1.128 CC(C)CCCNCc1cc(cs1)Br 207a_200000737386_100000211722 [0,2,0,0,0,0|1,1,0]=4 11942 B14R1.128 CC(C)CCCNCc1cc(cs1)Br 2230a_100000741024_100011214892 [0,2,0,0,0,0|1,1,0]=4 11943 B14R1.128 CC(C)CCCNCc1cc(cs1)Br 2230a_200000737386_100000746031 [0,2,0,0,0,0|1,1,0]=4 11944 B14R1.128 CC(C)CCCNCc1cc(cs1)Br 270004a_200000737386_100000211722 [0,2,0,0,0,0|1,1,0]=4 11945 B14R1.128 CC(C)CCCNCc1cc(cs1)Br 34a_100000741024_100011214892 [0,2,0,0,0,0|1,1,0]=4 11946 B14R1.128 CC(C)CCCNCc1cc(cs1)Br 34a_200000737386_100000746031 [0,2,0,0,0,0|1,1,0]=4 11947 B14R1.128 CC(C)CCCNCc1cc(cs1)Cl 207a_200000737386_100000102487 [0,2,0,0,0,0|1,1,0]=4 11948 B14R1.128 CC(C)CCCNCc1cc(cs1)Cl 270004a_200000737386_100000102487 [0,2,0,0,0,0|1,1,0]=4 11949 B14R1.128 CC(C)CCCNCc1cc(cs1)I 207a_200000737386_100010179861 [0,2,0,0,0,0|1,1,0]=4 11950 B14R1.128 CC(C)CCCNCc1cc(no1)Br 2230a_100015193020_100011214892 [0,2,0,0,0,0|2,0,0]=4 11951 B14R1.128 CC(C)CCCNCc1cc(no1)Br 270004a_200000737386_100009819588 [0,2,0,0,0,0|2,0,0]=4 11952 B14R1.128 CC(C)CCCNCc1cc(no1)Br 34a_100015193020_100011214892 [0,2,0,0,0,0|2,0,0]=4 11953 B14R1.128 CC(C)CCCNCc1ccc(o1)Br 207a_200000737386_100000185145 [0,2,0,0,0,0|1,0,0]=3 11954 B14R1.128 CC(C)CCCNCc1ccc(o1)Br 270004a_200000737386_100000185145 [0,2,0,0,0,0|1,0,0]=3 11955 B14R1.128 CC(C)CCCNCc1ccc(o1)Br 34a_100000708654_100011214892 [0,2,0,0,0,0|1,0,0]=3 11956 B14R1.128 CC(C)CCCNCc1ccc(o1)Cl 207a_200000737386_100000188459 [0,2,0,0,0,0|1,0,0]=3 11957 B14R1.128 CC(C)CCCNCc1ccc(o1)Cl 270004a_200000737386_100000188459 [0,2,0,0,0,0|1,0,0]=3 11958 B14R1.128 CC(C)CCCNCc1ccc(o1)I 207a_200000737386_100000186757 [0,2,0,0,0,0|1,0,0]=3 11959 B14R1.128 CC(C)CCCNCc1ccc(s1)Br 207a_200000737386_100000179771 [0,2,0,0,0,0|1,1,0]=4 11960 B14R1.128 CC(C)CCCNCc1ccc(s1)Br 2230a_200000737386_100000708592 [0,2,0,0,0,0|1,1,0]=4 11961 B14R1.128 CC(C)CCCNCc1ccc(s1)Br 270004a_200000737386_100000179771 [0,2,0,0,0,0|1,1,0]=4 11962 B14R1.128 CC(C)CCCNCc1ccc(s1)Br 34a_200000737386_100000708592 [0,2,0,0,0,0|1,1,0]=4 11963 B14R1.128 CC(C)CCCNCc1ccc(s1)Cl 207a_200000737386_100000242774 [0,2,0,0,0,0|1,1,0]=4 11964 B14R1.128 CC(C)CCCNCc1ccc(s1)Cl 2230a_100000737310_100011214892 [0,2,0,0,0,0|1,1,0]=4 11965 B14R1.128 CC(C)CCCNCc1ccc(s1)Cl 2230a_200000737386_100000185097 [0,2,0,0,0,0|1,1,0]=4 11966 B14R1.128 CC(C)CCCNCc1ccc(s1)Cl 270004a_200000737386_100000242774 [0,2,0,0,0,0|1,1,0]=4 11967 B14R1.128 CC(C)CCCNCc1ccc(s1)Cl 34a_200000737386_100000185097 [0,2,0,0,0,0|1,1,0]=4 11968 B14R1.128 CC(C)CCCOCc1cc(cs1)Br 34a_100000210774_100000746031 [0,2,0,0,0,0|1,1,0]=4 11969 B14R1.128 CC(C)CCCOCc1cc(cs1)Br 34a_100000238369_100011214892 [0,2,0,0,0,0|1,1,0]=4 11970 B14R1.128 CC(C)CCCOCc1cc(cs1)Br 7a_100000210774_100000746031 [0,2,0,0,0,0|1,1,0]=4 11971 B14R1.128 CC(C)CCCOCc1cc(cs1)Br 7a_100000238369_100011214892 [0,2,0,0,0,0|1,1,0]=4 11972 B14R1.128 CC(C)CCCOCc1cc(no1)Br 34a_100009816691_100011214892 [0,2,0,0,0,0|2,0,0]=4 11973 B14R1.128 CC(C)CCCOCc1cc(no1)Br 7a_100000210774_100000709089 [0,2,0,0,0,0|2,0,0]=4 11974 B14R1.128 CC(C)CCCOCc1ccc(o1)Br 34a_100000246276_100011214892 [0,2,0,0,0,0|1,0,0]=3 11975 B14R1.128 CC(C)CCCOCc1ccc(o1)Br 7a_100000246276_100011214892 [0,2,0,0,0,0|1,0,0]=3 11976 B14R1.128 CC(C)CCCOCc1ccc(s1)Br 34a_100000210774_100000708592 [0,2,0,0,0,0|1,1,0]=4 11977 B14R1.128 CC(C)CCCOCc1ccc(s1)Br 7a_100000210774_100000708592 [0,2,0,0,0,0|1,1,0]=4 11978 B14R1.128 CC(C)CCCOCc1ccc(s1)Cl 34a_100000210774_100000185097 [0,2,0,0,0,0|1,1,0]=4 11979 B14R1.128 CC(C)CCCOCc1ccc(s1)Cl 7a_100000210774_100000185097 [0,2,0,0,0,0|1,1,0]=4 11980 B14R1.128 CC(C)CCCSCc1cc(cs1)Br 62a_100000746031_100011214892 [0,2,0,0,0,0|1,1,0]=4 11981 B14R1.128 CC(C)CCCSCc1cc(cs1)Br 62a_100011214892_100000746031 [0,2,0,0,0,0|1,1,0]=4 11982 B14R1.128 CC(C)CCCSCc1cc(no1)Br 62a_100000709089_100011214892 [0,2,0,0,0,0|2,0,0]=4 11983 B14R1.128 CC(C)CCCSCc1cc(no1)Br 62a_100011214892_100000709089 [0,2,0,0,0,0|2,0,0]=4 11984 B14R1.128 CC(C)CCCSCc1ccc(s1)Br 62a_100000708592_100011214892 [0,2,0,0,0,0|1,1,0]=4 11985 B14R1.128 CC(C)CCCSCc1ccc(s1)Br 62a_100011214892_100000708592 [0,2,0,0,0,0|1,1,0]=4 11986 B14R1.128 CC(C)CCCSCc1ccc(s1)Cl 62a_100000185097_100011214892 [0,2,0,0,0,0|1,1,0]=4 11987 B14R1.128 CC(C)CCCSCc1ccc(s1)Cl 62a_100011214892_100000185097 [0,2,0,0,0,0|1,1,0]=4 11988 B14R1.128 CC(C)CCNCCc1ccc(s1)Br 2230a_100000217605_100000210312 [0,2,0,0,0,0|1,1,0]=4 11989 B14R1.128 CC(C)CCNCCc1ccc(s1)Br 269862a_100000217605_100000185833 [0,2,0,0,0,0|1,1,0]=4 11990 B14R1.128 CC(C)CCOCCc1cc(no1)Br 34a_100009816916_100000210312 [0,2,0,0,0,0|2,0,0]=4 11991 B14R1.128 CC(C)OCCNCc1cc(co1)Br 270004a_100000701111_100000747035 [0,2,0,0,0,0|2,0,0]=4 11992 B14R1.128 CC(C)OCCNCc1ccc(o1)Br 207a_100000701111_100000185145 [0,2,0,0,0,0|2,0,0]=4 11993 B14R1.128 CC(C)OCCNCc1ccc(o1)Br 270004a_100000701111_100000185145 [0,2,0,0,0,0|2,0,0]=4 11994 B14R1.128 CC(C)OCCNCc1ccc(o1)Br 34a_100000708654_100000211751 [0,2,0,0,0,0|2,0,0]=4 11995 B14R1.128 CC(C)OCCNCc1ccc(o1)Cl 207a_100000701111_100000188459 [0,2,0,0,0,0|2,0,0]=4 11996 B14R1.128 CC(C)OCCNCc1ccc(o1)Cl 270004a_100000701111_100000188459 [0,2,0,0,0,0|2,0,0]=4 11997 B14R1.128 CC(C)OCCNCc1ccc(o1)I 207a_100000701111_100000186757 [0,2,0,0,0,0|2,0,0]=4 11998 B14R1.128 CC(C)OCCOCc1ccc(o1)Br 34a_100000246276_100000211751 [0,2,0,0,0,0|2,0,0]=4 11999 B14R1.128 CC(C)OCCOCc1ccc(o1)Br 7a_100000246276_100000211751 [0,2,0,0,0,0|2,0,0]=4 12000 B14R1.128 CC(C)SCCNCc1cc(co1)Br 270004a_100000731138_100000747035 [0,2,0,0,0,0|2,0,0]=4 12001 B14R1.128 CC(C)SCCNCc1ccc(o1)Br 207a_100000731138_100000185145 [0,2,0,0,0,0|2,0,0]=4 12002 B14R1.128 CC(C)SCCNCc1ccc(o1)Br 270004a_100000731138_100000185145 [0,2,0,0,0,0|2,0,0]=4 12003 B14R1.128 CC(C)SCCNCc1ccc(o1)Br 34a_100000708654_100000730970 [0,2,0,0,0,0|2,0,0]=4 12004 B14R1.128 CC(C)SCCNCc1ccc(o1)Cl 207a_100000731138_100000188459 [0,2,0,0,0,0|2,0,0]=4 12005 B14R1.128 CC(C)SCCNCc1ccc(o1)Cl 270004a_100000731138_100000188459 [0,2,0,0,0,0|2,0,0]=4 12006 B14R1.128 CC(C)SCCNCc1ccc(o1)I 207a_100000731138_100000186757 [0,2,0,0,0,0|2,0,0]=4 12007 B14R1.128 CC(C)SCCOCc1ccc(o1)Br 34a_100000246276_100000730970 [0,2,0,0,0,0|2,0,0]=4 12008 B14R1.128 CC(C)SCCOCc1ccc(o1)Br 7a_100000246276_100000730970 [0,2,0,0,0,0|2,0,0]=4 12009 B14R1.128 CC(O)CCCNCc1cc(cs1)Br 2230a_100000741024_200000718107 [0,2,0,0,0,0|1,1,0]=4 12010 B14R1.128 CC(O)CCCNCc1cc(cs1)Br 34a_100000741024_200000718107 [0,2,0,0,0,0|1,1,0]=4 12011 B14R1.128 CC(O)CCCNCc1cc(no1)Br 2230a_100015193020_200000718107 [0,2,0,0,0,0|2,0,0]=4 12012 B14R1.128 CC(O)CCCNCc1cc(no1)Br 34a_100015193020_200000718107 [0,2,0,0,0,0|2,0,0]=4 12013 B14R1.128 CC(O)CCCNCc1ccc(o1)Br 34a_100000708654_200000718107 [0,2,0,0,0,0|1,0,0]=3 12014 B14R1.128 CC(O)CCCNCc1ccc(s1)Cl 2230a_100000737310_200000718107 [0,2,0,0,0,0|1,1,0]=4 12015 B14R1.128 CC(O)CCCOCc1cc(cs1)Br 34a_100000238369_200000718107 [0,2,0,0,0,0|1,1,0]=4 12016 B14R1.128 CC(O)CCCOCc1cc(cs1)Br 7a_100000238369_200000718107 [0,2,0,0,0,0|1,1,0]=4 12017 B14R1.128 CC(O)CCCOCc1cc(no1)Br 34a_100009816691_200000718107 [0,2,0,0,0,0|2,0,0]=4 12018 B14R1.128 CC(O)CCCOCc1ccc(o1)Br 34a_100000246276_200000718107 [0,2,0,0,0,0|1,0,0]=3 12019 B14R1.128 CC(O)CCCOCc1ccc(o1)Br 7a_100000246276_200000718107 [0,2,0,0,0,0|1,0,0]=3 12020 B14R1.128 CC(O)CCCSCc1cc(cs1)Br 62a_100000746031_200000718107 [0,2,0,0,0,0|1,1,0]=4 12021 B14R1.128 CC(O)CCCSCc1cc(cs1)Br 62a_200000718107_100000746031 [0,2,0,0,0,0|1,1,0]=4 12022 B14R1.128 CC(O)CCCSCc1cc(no1)Br 62a_100000709089_200000718107 [0,2,0,0,0,0|2,0,0]=4 12023 B14R1.128 CC(O)CCCSCc1cc(no1)Br 62a_200000718107_100000709089 [0,2,0,0,0,0|2,0,0]=4 12024 B14R1.128 CC(O)CCCSCc1ccc(s1)Br 62a_100000708592_200000718107 [0,2,0,0,0,0|1,1,0]=4 12025 B14R1.128 CC(O)CCCSCc1ccc(s1)Br 62a_200000718107_100000708592 [0,2,0,0,0,0|1,1,0]=4 12026 B14R1.128 CC(O)CCCSCc1ccc(s1)Cl 62a_100000185097_200000718107 [0,2,0,0,0,0|1,1,0]=4 12027 B14R1.128 CC(O)CCCSCc1ccc(s1)Cl 62a_200000718107_100000185097 [0,2,0,0,0,0|1,1,0]=4 12028 B14R1.128 CC(O)CCNCCc1ccc(s1)Br 2230a_100000217605_100012276601 [0,2,0,0,0,0|1,1,0]=4 12029 B14R1.128 CC(O)CCOCCc1cc(no1)Br 34a_100009816916_100012276601 [0,2,0,0,0,0|2,0,0]=4 12030 B14R1.128 CN(C)CCCNCc1cc(co1)Br 270004a_102531767803_100000747035 [0,2,0,0,0,0|2,0,0]=4 12031 B14R1.128 CN(C)CCCNCc1ccc(o1)Br 207a_102531767803_100000185145 [0,2,0,0,0,0|2,0,0]=4 12032 B14R1.128 CN(C)CCCNCc1ccc(o1)Br 270004a_102531767803_100000185145 [0,2,0,0,0,0|2,0,0]=4 12033 B14R1.128 CN(C)CCCNCc1ccc(o1)Cl 207a_102531767803_100000188459 [0,2,0,0,0,0|2,0,0]=4 12034 B14R1.128 CN(C)CCCNCc1ccc(o1)Cl 270004a_102531767803_100000188459 [0,2,0,0,0,0|2,0,0]=4 12035 B14R1.128 CN(C)CCCNCc1ccc(o1)I 207a_102531767803_100000186757 [0,2,0,0,0,0|2,0,0]=4 12036 B14R1.128 CN(C)CCCOCc1ccc(o1)Br 7a_100000246276_100000757444 [0,2,0,0,0,0|2,0,0]=4 12037 B14R1.128 CS(=O)CCCNCc1cc(co1)Br 270004a_200000753449_100000747035 [0,2,0,0,0,0|2,0,0]=4 12038 B14R1.128 CS(=O)CCCNCc1ccc(o1)Br 207a_200000753449_100000185145 [0,2,0,0,0,0|2,0,0]=4 12039 B14R1.128 CS(=O)CCCNCc1ccc(o1)Br 270004a_200000753449_100000185145 [0,2,0,0,0,0|2,0,0]=4 12040 B14R1.128 CS(=O)CCCNCc1ccc(o1)Cl 207a_200000753449_100000188459 [0,2,0,0,0,0|2,0,0]=4 12041 B14R1.128 CS(=O)CCCNCc1ccc(o1)Cl 270004a_200000753449_100000188459 [0,2,0,0,0,0|2,0,0]=4 12042 B14R1.128 CS(=O)CCCNCc1ccc(o1)I 207a_200000753449_100000186757 [0,2,0,0,0,0|2,0,0]=4 12043 B14R1.128 Cc1cc(on1)CNCCCC(C)C 207a_200000737386_100011794430 [0,2,0,0,0,0|2,0,0]=4 12044 B14R1.128 Cc1cc(on1)CNCCCC(C)C 2230a_100000745748_100011214892 [0,2,0,0,0,0|2,0,0]=4 12045 B14R1.128 Cc1cc(on1)CNCCCC(C)C 2230a_200000737386_100000707947 [0,2,0,0,0,0|2,0,0]=4 12046 B14R1.128 Cc1cc(on1)CNCCCC(C)C 270004a_200000737386_100011794430 [0,2,0,0,0,0|2,0,0]=4 12047 B14R1.128 Cc1cc(on1)CNCCCC(C)C 34a_100000745748_100011214892 [0,2,0,0,0,0|2,0,0]=4 12048 B14R1.128 Cc1cc(on1)CNCCCC(C)C 34a_200000737386_100000707947 [0,2,0,0,0,0|2,0,0]=4 12049 B14R1.128 Cc1cc(on1)CNCCCC(C)O 2230a_100000745748_200000718107 [0,2,0,0,0,0|2,0,0]=4 12050 B14R1.128 Cc1cc(on1)CNCCCC(C)O 34a_100000745748_200000718107 [0,2,0,0,0,0|2,0,0]=4 12051 B14R1.128 Cc1cc(on1)COCCCC(C)C 34a_100000210774_100000707947 [0,2,0,0,0,0|2,0,0]=4 12052 B14R1.128 Cc1cc(on1)COCCCC(C)C 34a_100000684692_100011214892 [0,2,0,0,0,0|2,0,0]=4 12053 B14R1.128 Cc1cc(on1)COCCCC(C)C 7a_100000210774_100000707947 [0,2,0,0,0,0|2,0,0]=4 12054 B14R1.128 Cc1cc(on1)COCCCC(C)O 34a_100000684692_200000718107 [0,2,0,0,0,0|2,0,0]=4 12055 B14R1.128 Cc1cc(on1)CSCCCC(C)C 62a_100000707947_100011214892 [0,2,0,0,0,0|2,0,0]=4 12056 B14R1.128 Cc1cc(on1)CSCCCC(C)C 62a_100011214892_100000707947 [0,2,0,0,0,0|2,0,0]=4 12057 B14R1.128 Cc1cc(on1)CSCCCC(C)O 62a_100000707947_200000718107 [0,2,0,0,0,0|2,0,0]=4 12058 B14R1.128 Cc1cc(on1)CSCCCC(C)O 62a_200000718107_100000707947 [0,2,0,0,0,0|2,0,0]=4 12059 B14R1.128 Cc1ccc(o1)CCNCCC(C)C 2230a_100000739271_100000210312 [0,2,0,0,0,0|1,0,0]=3 12060 B14R1.128 Cc1ccc(o1)CCNCCC(C)C 269862a_100000739271_100000185833 [0,2,0,0,0,0|1,0,0]=3 12061 B14R1.128 Cc1ccc(o1)CCNCCC(C)C 34a_100000739271_100000210312 [0,2,0,0,0,0|1,0,0]=3 12062 B14R1.128 Cc1ccc(o1)CCNCCC(C)O 2230a_100000739271_100012276601 [0,2,0,0,0,0|1,0,0]=3 12063 B14R1.128 Cc1ccc(o1)CCNCCC(C)O 34a_100000739271_100012276601 [0,2,0,0,0,0|1,0,0]=3 12064 B14R1.128 Cc1ccc(o1)CCNCOC(C)C 2230a_100000739271_100000709892 [0,2,0,0,0,0|2,0,0]=4 12065 B14R1.128 Cc1ccc(o1)CCNCOC(C)C 34a_100000739271_100000709892 [0,2,0,0,0,0|2,0,0]=4 12066 B14R1.128 Cc1ccc(o1)CCOCCC(C)C 34a_100012161071_100000210312 [0,2,0,0,0,0|1,0,0]=3 12067 B14R1.128 Cc1ccc(o1)CCOCCC(C)C 7a_100012161071_100000210626 [0,2,0,0,0,0|1,0,0]=3 12068 B14R1.128 Cc1ccc(o1)CCOCCC(C)O 34a_100012161071_100012276601 [0,2,0,0,0,0|1,0,0]=3 12069 B14R1.128 Cc1ccc(o1)CCOCCC(C)O 7a_100012161071_100012276601 [0,2,0,0,0,0|1,0,0]=3 12070 B14R1.128 Cc1ccc(o1)CCOCCN(C)C 7a_100012161071_100000755713 [0,2,0,0,0,0|2,0,0]=4 12071 B14R1.128 Cc1ccc(o1)CCOCOC(C)C 34a_100012161071_100000709892 [0,2,0,0,0,0|2,0,0]=4 12072 B14R1.128 Cc1ccc(o1)CNCCCC(C)C 207a_200000737386_100000183696 [0,2,0,0,0,0|1,0,0]=3 12073 B14R1.128 Cc1ccc(o1)CNCCCC(C)C 270004a_200000737386_100000183696 [0,2,0,0,0,0|1,0,0]=3 12074 B14R1.128 Cc1ccc(o1)CNCCCC(C)C 34a_100011194323_100011214892 [0,2,0,0,0,0|1,0,0]=3 12075 B14R1.128 Cc1ccc(o1)CNCCCC(C)O 34a_100011194323_200000718107 [0,2,0,0,0,0|1,0,0]=3 12076 B14R1.128 Cc1ccc(o1)CNCCCN(C)C 207a_102531767803_100000183696 [0,2,0,0,0,0|2,0,0]=4 12077 B14R1.128 Cc1ccc(o1)CNCCCN(C)C 270004a_102531767803_100000183696 [0,2,0,0,0,0|2,0,0]=4 12078 B14R1.128 Cc1ccc(o1)CNCCCS(=O)C 207a_200000753449_100000183696 [0,2,0,0,0,0|2,0,0]=4 12079 B14R1.128 Cc1ccc(o1)CNCCCS(=O)C 270004a_200000753449_100000183696 [0,2,0,0,0,0|2,0,0]=4 12080 B14R1.128 Cc1ccc(o1)CNCCOC(C)C 207a_100000701111_100000183696 [0,2,0,0,0,0|2,0,0]=4 12081 B14R1.128 Cc1ccc(o1)CNCCOC(C)C 270004a_100000701111_100000183696 [0,2,0,0,0,0|2,0,0]=4 12082 B14R1.128 Cc1ccc(o1)CNCCOC(C)C 34a_100011194323_100000211751 [0,2,0,0,0,0|2,0,0]=4 12083 B14R1.128 Cc1ccc(o1)CNCCSC(C)C 207a_100000731138_100000183696 [0,2,0,0,0,0|2,0,0]=4 12084 B14R1.128 Cc1ccc(o1)CNCCSC(C)C 270004a_100000731138_100000183696 [0,2,0,0,0,0|2,0,0]=4 12085 B14R1.128 Cc1ccc(o1)CNCCSC(C)C 34a_100011194323_100000730970 [0,2,0,0,0,0|2,0,0]=4 12086 B14R1.128 Cc1ccc(o1)COCCCC(C)C 34a_100011232665_100011214892 [0,2,0,0,0,0|1,0,0]=3 12087 B14R1.128 Cc1ccc(o1)COCCCC(C)C 7a_100011232665_100011214892 [0,2,0,0,0,0|1,0,0]=3 12088 B14R1.128 Cc1ccc(o1)COCCCC(C)O 34a_100011232665_200000718107 [0,2,0,0,0,0|1,0,0]=3 12089 B14R1.128 Cc1ccc(o1)COCCCC(C)O 7a_100011232665_200000718107 [0,2,0,0,0,0|1,0,0]=3 12090 B14R1.128 Cc1ccc(o1)COCCCN(C)C 7a_100011232665_100000757444 [0,2,0,0,0,0|2,0,0]=4 12091 B14R1.128 Cc1ccc(o1)COCCOC(C)C 34a_100011232665_100000211751 [0,2,0,0,0,0|2,0,0]=4 12092 B14R1.128 Cc1ccc(o1)COCCOC(C)C 7a_100011232665_100000211751 [0,2,0,0,0,0|2,0,0]=4 12093 B14R1.128 Cc1ccc(o1)COCCSC(C)C 34a_100011232665_100000730970 [0,2,0,0,0,0|2,0,0]=4 12094 B14R1.128 Cc1ccc(o1)COCCSC(C)C 7a_100011232665_100000730970 [0,2,0,0,0,0|2,0,0]=4 12095 B14R1.128 Cc1ccc(s1)CNCCCC(C)C 207a_200000737386_100000211121 [0,2,0,0,0,0|1,1,0]=4 12096 B14R1.128 Cc1ccc(s1)CNCCCC(C)C 2230a_100000238518_100011214892 [0,2,0,0,0,0|1,1,0]=4 12097 B14R1.128 Cc1ccc(s1)CNCCCC(C)C 270004a_200000737386_100000211121 [0,2,0,0,0,0|1,1,0]=4 12098 B14R1.128 Cc1ccc(s1)CNCCCC(C)O 2230a_100000238518_200000718107 [0,2,0,0,0,0|1,1,0]=4 12099 B14R1.128 Cc1ccc(s1)COCCCC(C)C 34a_100000238367_100011214892 [0,2,0,0,0,0|1,1,0]=4 12100 B14R1.128 Cc1ccc(s1)COCCCC(C)O 34a_100000238367_200000718107 [0,2,0,0,0,0|1,1,0]=4 12101 B14R1.128 Cc1ccc(s1)SCCCCC(C)C 62a_100000031368_100011216152 [0,2,0,0,0,0|1,1,0]=4 12102 B14R1.128 Cc1ccc(s1)SCCCCC(C)C 62a_100011216152_100000031368 [0,2,0,0,0,0|1,1,0]=4 12103 B14R1.128 Cc1cnc(o1)CNCCCC(C)C 2230a_100138411809_100011214892 [0,2,0,0,0,0|2,0,0]=4 12104 B14R1.128 Cc1cnc(o1)CNCCCC(C)C 34a_100138411809_100011214892 [0,2,0,0,0,0|2,0,0]=4 12105 B14R1.128 Cc1cnc(o1)CNCCCC(C)O 2230a_100138411809_200000718107 [0,2,0,0,0,0|2,0,0]=4 12106 B14R1.128 Cc1cnc(o1)CNCCCC(C)O 34a_100138411809_200000718107 [0,2,0,0,0,0|2,0,0]=4 12107 B14R1.128 Cc1csc(c1)CNCCCC(C)C 207a_200000737386_100102525248 [0,2,0,0,0,0|1,1,0]=4 12108 B14R1.128 Cc1csc(c1)CNCCCC(C)C 2230a_100015204214_100011214892 [0,2,0,0,0,0|1,1,0]=4 12109 B14R1.128 Cc1csc(c1)CNCCCC(C)C 270004a_200000737386_100102525248 [0,2,0,0,0,0|1,1,0]=4 12110 B14R1.128 Cc1csc(c1)CNCCCC(C)C 34a_100015204214_100011214892 [0,2,0,0,0,0|1,1,0]=4 12111 B14R1.128 Cc1csc(c1)CNCCCC(C)O 2230a_100015204214_200000718107 [0,2,0,0,0,0|1,1,0]=4 12112 B14R1.128 Cc1csc(c1)CNCCCC(C)O 34a_100015204214_200000718107 [0,2,0,0,0,0|1,1,0]=4 12113 B14R1.128 Cc1csc(c1)COCCCC(C)C 34a_200000068372_100011214892 [0,2,0,0,0,0|1,1,0]=4 12114 B14R1.128 Cc1csc(c1)COCCCC(C)C 7a_200000068372_100011214892 [0,2,0,0,0,0|1,1,0]=4 12115 B14R1.128 Cc1csc(c1)COCCCC(C)O 34a_200000068372_200000718107 [0,2,0,0,0,0|1,1,0]=4 12116 B14R1.128 Cc1csc(c1)COCCCC(C)O 7a_200000068372_200000718107 [0,2,0,0,0,0|1,1,0]=4 12117 B14R1.128 Cc1csc(c1)SCCCCC(C)C 62a_100009876951_100011216152 [0,2,0,0,0,0|1,1,0]=4 12118 B14R1.128 Cc1csc(c1)SCCCCC(C)C 62a_100011216152_100009876951 [0,2,0,0,0,0|1,1,0]=4 12119 B14R1.128 Cc1ncc(o1)CNCCCC(C)C 207a_200000737386_100000084308 [0,2,0,0,0,0|2,0,0]=4 12120 B14R1.128 Cc1ncc(o1)CNCCCC(C)C 270004a_200000737386_100000084308 [0,2,0,0,0,0|2,0,0]=4 12121 B14R1.128 Cc1noc(n1)CCCCCC(C)C 270196a_100000212224_100000766313 [0,2,0,0,0,0|2,0,0]=4 12122 B14R1.155 CCCCC(=O)CCc1cc(no1)Cl 1458a_100000022696_100000210211 [0,2,0,0,0,0|1,0,1]=4 12123 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 11a_100000708654_100000210183 [0,2,0,0,0,0|1,0,1]=4 12124 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 1626a_100000708654_100000210183 [0,2,0,0,0,0|1,0,1]=4 12125 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000210183 [0,2,0,0,0,0|1,0,1]=4 12126 B14R1.155 CCCCC(=O)NCc1ccc(o1)Br 527a_100000708654_100000210183 [0,2,0,0,0,0|1,0,1]=4 12127 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 11a_100011194323_100000210183 [0,2,0,0,0,0|1,0,1]=4 12128 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 1626a_100011194323_100000210183 [0,2,0,0,0,0|1,0,1]=4 12129 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 240690a_100011194323_100000210183 [0,2,0,0,0,0|1,0,1]=4 12130 B14R1.155 CCCCC(=O)NCc1ccc(o1)C 527a_100011194323_100000210183 [0,2,0,0,0,0|1,0,1]=4 12131 B14R1.155 CCCCC(C)CCc1nc(no1)C 270196a_100000212224_100000033779 [0,2,0,0,0,0|2,0,0]=4 12132 B14R1.155 CCCCC(C)NCc1cc(c[nH]1)Br 270004a_100000126638_100000720742 [0,2,0,0,0,0|2,0,0]=4 12133 B14R1.155 CCCCC(C)NCc1cc(co1)Br 270004a_100000126638_100000747035 [0,2,0,0,0,0|1,0,0]=3 12134 B14R1.155 CCCCC(C)NCc1cc(cs1)Br 207a_100000126638_100000211722 [0,2,0,0,0,0|1,1,0]=4 12135 B14R1.155 CCCCC(C)NCc1cc(cs1)Br 2230a_100000126638_100000746031 [0,2,0,0,0,0|1,1,0]=4 12136 B14R1.155 CCCCC(C)NCc1cc(cs1)Br 2230a_100000741024_200011215066 [0,2,0,0,0,0|1,1,0]=4 12137 B14R1.155 CCCCC(C)NCc1cc(cs1)Br 270004a_100000126638_100000211722 [0,2,0,0,0,0|1,1,0]=4 12138 B14R1.155 CCCCC(C)NCc1cc(cs1)Br 270004a_100000741024_100000210087 [0,2,0,0,0,0|1,1,0]=4 12139 B14R1.155 CCCCC(C)NCc1cc(cs1)Br 34a_100000741024_200011215066 [0,2,0,0,0,0|1,1,0]=4 12140 B14R1.155 CCCCC(C)NCc1cc(cs1)C 207a_100000126638_100102525248 [0,2,0,0,0,0|1,1,0]=4 12141 B14R1.155 CCCCC(C)NCc1cc(cs1)C 2230a_100015204214_200011215066 [0,2,0,0,0,0|1,1,0]=4 12142 B14R1.155 CCCCC(C)NCc1cc(cs1)C 270004a_100000126638_100102525248 [0,2,0,0,0,0|1,1,0]=4 12143 B14R1.155 CCCCC(C)NCc1cc(cs1)C 270004a_100015204214_100000210087 [0,2,0,0,0,0|1,1,0]=4 12144 B14R1.155 CCCCC(C)NCc1cc(cs1)C 34a_100015204214_200011215066 [0,2,0,0,0,0|1,1,0]=4 12145 B14R1.155 CCCCC(C)NCc1cc(cs1)Cl 207a_100000126638_100000102487 [0,2,0,0,0,0|1,1,0]=4 12146 B14R1.155 CCCCC(C)NCc1cc(cs1)Cl 270004a_100000126638_100000102487 [0,2,0,0,0,0|1,1,0]=4 12147 B14R1.155 CCCCC(C)NCc1cc(cs1)I 207a_100000126638_100010179861 [0,2,0,0,0,0|1,1,0]=4 12148 B14R1.155 CCCCC(C)NCc1cc(no1)Br 2230a_100015193020_200011215066 [0,2,0,0,0,0|2,0,0]=4 12149 B14R1.155 CCCCC(C)NCc1cc(no1)Br 270004a_100000126638_100009819588 [0,2,0,0,0,0|2,0,0]=4 12150 B14R1.155 CCCCC(C)NCc1cc(no1)Br 34a_100015193020_200011215066 [0,2,0,0,0,0|2,0,0]=4 12151 B14R1.155 CCCCC(C)NCc1cc(no1)C 207a_100000126638_100011794430 [0,2,0,0,0,0|2,0,0]=4 12152 B14R1.155 CCCCC(C)NCc1cc(no1)C 2230a_100000126638_100000707947 [0,2,0,0,0,0|2,0,0]=4 12153 B14R1.155 CCCCC(C)NCc1cc(no1)C 2230a_100000745748_200011215066 [0,2,0,0,0,0|2,0,0]=4 12154 B14R1.155 CCCCC(C)NCc1cc(no1)C 270004a_100000126638_100011794430 [0,2,0,0,0,0|2,0,0]=4 12155 B14R1.155 CCCCC(C)NCc1cc(no1)C 270004a_100000745748_100000210087 [0,2,0,0,0,0|2,0,0]=4 12156 B14R1.155 CCCCC(C)NCc1cc(no1)C 34a_100000745748_200011215066 [0,2,0,0,0,0|2,0,0]=4 12157 B14R1.155 CCCCC(C)NCc1ccc(o1)Br 207a_100000126638_100000185145 [0,2,0,0,0,0|1,0,0]=3 12158 B14R1.155 CCCCC(C)NCc1ccc(o1)Br 270004a_100000126638_100000185145 [0,2,0,0,0,0|1,0,0]=3 12159 B14R1.155 CCCCC(C)NCc1ccc(o1)Br 270004a_100000708654_100000210087 [0,2,0,0,0,0|1,0,0]=3 12160 B14R1.155 CCCCC(C)NCc1ccc(o1)Br 34a_100000708654_200011215066 [0,2,0,0,0,0|1,0,0]=3 12161 B14R1.155 CCCCC(C)NCc1ccc(o1)C 207a_100000126638_100000183696 [0,2,0,0,0,0|1,0,0]=3 12162 B14R1.155 CCCCC(C)NCc1ccc(o1)C 270004a_100000126638_100000183696 [0,2,0,0,0,0|1,0,0]=3 12163 B14R1.155 CCCCC(C)NCc1ccc(o1)C 270004a_100011194323_100000210087 [0,2,0,0,0,0|1,0,0]=3 12164 B14R1.155 CCCCC(C)NCc1ccc(o1)C 34a_100011194323_200011215066 [0,2,0,0,0,0|1,0,0]=3 12165 B14R1.155 CCCCC(C)NCc1ccc(o1)Cl 207a_100000126638_100000188459 [0,2,0,0,0,0|1,0,0]=3 12166 B14R1.155 CCCCC(C)NCc1ccc(o1)Cl 270004a_100000126638_100000188459 [0,2,0,0,0,0|1,0,0]=3 12167 B14R1.155 CCCCC(C)NCc1ccc(o1)I 207a_100000126638_100000186757 [0,2,0,0,0,0|1,0,0]=3 12168 B14R1.155 CCCCC(C)NCc1ccc(s1)Br 207a_100000126638_100000179771 [0,2,0,0,0,0|1,1,0]=4 12169 B14R1.155 CCCCC(C)NCc1ccc(s1)Br 2230a_100000126638_100000708592 [0,2,0,0,0,0|1,1,0]=4 12170 B14R1.155 CCCCC(C)NCc1ccc(s1)Br 270004a_100000126638_100000179771 [0,2,0,0,0,0|1,1,0]=4 12171 B14R1.155 CCCCC(C)NCc1ccc(s1)Br 270004a_100000737305_100000210087 [0,2,0,0,0,0|1,1,0]=4 12172 B14R1.155 CCCCC(C)NCc1ccc(s1)C 207a_100000126638_100000211121 [0,2,0,0,0,0|1,1,0]=4 12173 B14R1.155 CCCCC(C)NCc1ccc(s1)C 2230a_100000238518_200011215066 [0,2,0,0,0,0|1,1,0]=4 12174 B14R1.155 CCCCC(C)NCc1ccc(s1)C 270004a_100000126638_100000211121 [0,2,0,0,0,0|1,1,0]=4 12175 B14R1.155 CCCCC(C)NCc1ccc(s1)C 270004a_100000238518_100000210087 [0,2,0,0,0,0|1,1,0]=4 12176 B14R1.155 CCCCC(C)NCc1ccc(s1)Cl 207a_100000126638_100000242774 [0,2,0,0,0,0|1,1,0]=4 12177 B14R1.155 CCCCC(C)NCc1ccc(s1)Cl 2230a_100000126638_100000185097 [0,2,0,0,0,0|1,1,0]=4 12178 B14R1.155 CCCCC(C)NCc1ccc(s1)Cl 2230a_100000737310_200011215066 [0,2,0,0,0,0|1,1,0]=4 12179 B14R1.155 CCCCC(C)NCc1ccc(s1)Cl 270004a_100000126638_100000242774 [0,2,0,0,0,0|1,1,0]=4 12180 B14R1.155 CCCCC(C)NCc1ccc(s1)Cl 270004a_100000737310_100000210087 [0,2,0,0,0,0|1,1,0]=4 12181 B14R1.155 CCCCC(C)NCc1cnc(o1)C 207a_100000126638_100000084308 [0,2,0,0,0,0|2,0,0]=4 12182 B14R1.155 CCCCC(C)NCc1cnc(o1)C 270004a_100000126638_100000084308 [0,2,0,0,0,0|2,0,0]=4 12183 B14R1.155 CCCCC(C)NCc1ncc(o1)C 2230a_100138411809_200011215066 [0,2,0,0,0,0|2,0,0]=4 12184 B14R1.155 CCCCC(C)NCc1ncc(o1)C 34a_100138411809_200011215066 [0,2,0,0,0,0|2,0,0]=4 12185 B14R1.155 CCCCC(C)OCc1cc(cs1)Br 34a_100000238369_200011215066 [0,2,0,0,0,0|1,1,0]=4 12186 B14R1.155 CCCCC(C)OCc1cc(cs1)Br 34a_100000687866_100000746031 [0,2,0,0,0,0|1,1,0]=4 12187 B14R1.155 CCCCC(C)OCc1cc(cs1)Br 7a_100000238369_200011215066 [0,2,0,0,0,0|1,1,0]=4 12188 B14R1.155 CCCCC(C)OCc1cc(cs1)Br 7a_100000687866_100000746031 [0,2,0,0,0,0|1,1,0]=4 12189 B14R1.155 CCCCC(C)OCc1cc(cs1)C 34a_200000068372_200011215066 [0,2,0,0,0,0|1,1,0]=4 12190 B14R1.155 CCCCC(C)OCc1cc(cs1)C 7a_200000068372_200011215066 [0,2,0,0,0,0|1,1,0]=4 12191 B14R1.155 CCCCC(C)OCc1cc(no1)Br 34a_100009816691_200011215066 [0,2,0,0,0,0|2,0,0]=4 12192 B14R1.155 CCCCC(C)OCc1cc(no1)Br 7a_100000687866_100000709089 [0,2,0,0,0,0|2,0,0]=4 12193 B14R1.155 CCCCC(C)OCc1cc(no1)C 34a_100000684692_200011215066 [0,2,0,0,0,0|2,0,0]=4 12194 B14R1.155 CCCCC(C)OCc1cc(no1)C 34a_100000687866_100000707947 [0,2,0,0,0,0|2,0,0]=4 12195 B14R1.155 CCCCC(C)OCc1cc(no1)C 7a_100000687866_100000707947 [0,2,0,0,0,0|2,0,0]=4 12196 B14R1.155 CCCCC(C)OCc1ccc(o1)Br 34a_100000246276_200011215066 [0,2,0,0,0,0|1,0,0]=3 12197 B14R1.155 CCCCC(C)OCc1ccc(o1)Br 7a_100000246276_200011215066 [0,2,0,0,0,0|1,0,0]=3 12198 B14R1.155 CCCCC(C)OCc1ccc(o1)C 34a_100011232665_200011215066 [0,2,0,0,0,0|1,0,0]=3 12199 B14R1.155 CCCCC(C)OCc1ccc(o1)C 7a_100011232665_200011215066 [0,2,0,0,0,0|1,0,0]=3 12200 B14R1.155 CCCCC(C)OCc1ccc(s1)Br 34a_100000687866_100000708592 [0,2,0,0,0,0|1,1,0]=4 12201 B14R1.155 CCCCC(C)OCc1ccc(s1)Br 7a_100000687866_100000708592 [0,2,0,0,0,0|1,1,0]=4 12202 B14R1.155 CCCCC(C)OCc1ccc(s1)C 34a_100000238367_200011215066 [0,2,0,0,0,0|1,1,0]=4 12203 B14R1.155 CCCCC(C)OCc1ccc(s1)Cl 34a_100000687866_100000185097 [0,2,0,0,0,0|1,1,0]=4 12204 B14R1.155 CCCCC(C)OCc1ccc(s1)Cl 7a_100000687866_100000185097 [0,2,0,0,0,0|1,1,0]=4 12205 B14R1.155 CCCCC(C)SCc1cc(cs1)Br 62a_100000746031_200011215066 [0,2,0,0,0,0|1,1,0]=4 12206 B14R1.155 CCCCC(C)SCc1cc(cs1)Br 62a_200011215066_100000746031 [0,2,0,0,0,0|1,1,0]=4 12207 B14R1.155 CCCCC(C)SCc1cc(no1)Br 62a_100000709089_200011215066 [0,2,0,0,0,0|2,0,0]=4 12208 B14R1.155 CCCCC(C)SCc1cc(no1)Br 62a_200011215066_100000709089 [0,2,0,0,0,0|2,0,0]=4 12209 B14R1.155 CCCCC(C)SCc1cc(no1)C 62a_100000707947_200011215066 [0,2,0,0,0,0|2,0,0]=4 12210 B14R1.155 CCCCC(C)SCc1cc(no1)C 62a_200011215066_100000707947 [0,2,0,0,0,0|2,0,0]=4 12211 B14R1.155 CCCCC(C)SCc1ccc(s1)Br 62a_100000708592_200011215066 [0,2,0,0,0,0|1,1,0]=4 12212 B14R1.155 CCCCC(C)SCc1ccc(s1)Br 62a_200011215066_100000708592 [0,2,0,0,0,0|1,1,0]=4 12213 B14R1.155 CCCCC(C)SCc1ccc(s1)Cl 62a_100000185097_200011215066 [0,2,0,0,0,0|1,1,0]=4 12214 B14R1.155 CCCCC(C)SCc1ccc(s1)Cl 62a_200011215066_100000185097 [0,2,0,0,0,0|1,1,0]=4 12215 B14R1.155 CCSCC(C)NCc1ccc(o1)Br 270004a_100000708654_200011216171 [0,2,0,0,0,0|2,0,0]=4 12216 B14R1.155 CCSCC(C)NCc1ccc(o1)C 270004a_100011194323_200011216171 [0,2,0,0,0,0|2,0,0]=4 12217 B14R1.155 COCCC(C)NCc1ccc(o1)Br 270004a_100000708654_100000742357 [0,2,0,0,0,0|2,0,0]=4 12218 B14R1.155 COCCC(C)NCc1ccc(o1)C 270004a_100011194323_100000742357 [0,2,0,0,0,0|2,0,0]=4 12219 B14R1.155 CSCCC(C)NCc1ccc(o1)Br 270004a_100000708654_100011217047 [0,2,0,0,0,0|2,0,0]=4 12220 B14R1.155 CSCCC(C)NCc1ccc(o1)C 270004a_100011194323_100011217047 [0,2,0,0,0,0|2,0,0]=4 12221 B14R1.157 CCCCCC(=O)Cc1cc(cs1)Br 1458a_100000212188_100000746031 [0,2,0,0,0,0|0,1,1]=4 12222 B14R1.157 CCCCCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210326 [0,2,0,0,0,0|0,1,1]=4 12223 B14R1.157 CCCCCC(=O)Cc1cc(no1)Br 1458a_100000212188_100000709089 [0,2,0,0,0,0|1,0,1]=4 12224 B14R1.157 CCCCCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210326 [0,2,0,0,0,0|1,0,1]=4 12225 B14R1.157 CCCCCC(=O)Cc1cc(no1)C 1458a_100000212188_100000707947 [0,2,0,0,0,0|1,0,1]=4 12226 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Br 1458a_100000212188_100000708592 [0,2,0,0,0,0|0,1,1]=4 12227 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210326 [0,2,0,0,0,0|0,1,1]=4 12228 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Cl 1458a_100000212188_100000185097 [0,2,0,0,0,0|0,1,1]=4 12229 B14R1.157 CCCCCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210326 [0,2,0,0,0,0|0,1,1]=4 12230 B14R1.157 CCCCCC(C)Sc1cc(cs1)C 62a_100009876951_200011218191 [0,2,0,0,0,0|1,1,0]=4 12231 B14R1.157 CCCCCC(C)Sc1cc(cs1)C 62a_200011218191_100009876951 [0,2,0,0,0,0|1,1,0]=4 12232 B14R1.157 CCCCCC(C)Sc1ccc(s1)Br 62a_100010197418_200011218191 [0,2,0,0,0,0|1,1,0]=4 12233 B14R1.157 CCCCCC(C)Sc1ccc(s1)Br 62a_200011218191_100010197418 [0,2,0,0,0,0|1,1,0]=4 12234 B14R1.157 CCCCCC(C)Sc1ccc(s1)C 62a_100000031368_200011218191 [0,2,0,0,0,0|1,1,0]=4 12235 B14R1.157 CCCCCC(C)Sc1ccc(s1)C 62a_200011218191_100000031368 [0,2,0,0,0,0|1,1,0]=4 12236 B14R1.157 CCCCCN(C)Cc1cc(c[nH]1)Br 270004a_100000223495_100000720742 [0,2,0,0,0,0|2,0,0]=4 12237 B14R1.157 CCCCCN(C)Cc1cc(co1)Br 270004a_100000223495_100000747035 [0,2,0,0,0,0|1,0,0]=3 12238 B14R1.157 CCCCCN(C)Cc1cc(cs1)Br 2230a_100000207611_100000210326 [0,2,0,0,0,0|1,1,0]=4 12239 B14R1.157 CCCCCN(C)Cc1cc(cs1)Br 2230a_100000223495_100000746031 [0,2,0,0,0,0|1,1,0]=4 12240 B14R1.157 CCCCCN(C)Cc1cc(cs1)Br 269982a_100000207611_100000210215 [0,2,0,0,0,0|1,1,0]=4 12241 B14R1.157 CCCCCN(C)Cc1cc(cs1)Br 269982a_100000223495_100000746031 [0,2,0,0,0,0|1,1,0]=4 12242 B14R1.157 CCCCCN(C)Cc1cc(cs1)Br 270004a_100000223495_100000211722 [0,2,0,0,0,0|1,1,0]=4 12243 B14R1.157 CCCCCN(C)Cc1cc(cs1)C 2230a_100011502060_100000210326 [0,2,0,0,0,0|1,1,0]=4 12244 B14R1.157 CCCCCN(C)Cc1cc(cs1)C 269982a_100011502060_100000210215 [0,2,0,0,0,0|1,1,0]=4 12245 B14R1.157 CCCCCN(C)Cc1cc(cs1)C 270004a_100000223495_100102525248 [0,2,0,0,0,0|1,1,0]=4 12246 B14R1.157 CCCCCN(C)Cc1cc(cs1)Cl 270004a_100000223495_100000102487 [0,2,0,0,0,0|1,1,0]=4 12247 B14R1.157 CCCCCN(C)Cc1cc(no1)Br 269982a_100000223495_100000709089 [0,2,0,0,0,0|2,0,0]=4 12248 B14R1.157 CCCCCN(C)Cc1cc(no1)Br 270004a_100000223495_100009819588 [0,2,0,0,0,0|2,0,0]=4 12249 B14R1.157 CCCCCN(C)Cc1cc(no1)C 2230a_100000223495_100000707947 [0,2,0,0,0,0|2,0,0]=4 12250 B14R1.157 CCCCCN(C)Cc1cc(no1)C 269982a_100000223495_100000707947 [0,2,0,0,0,0|2,0,0]=4 12251 B14R1.157 CCCCCN(C)Cc1cc(no1)C 270004a_100000223495_100011794430 [0,2,0,0,0,0|2,0,0]=4 12252 B14R1.157 CCCCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210326 [0,2,0,0,0,0|1,0,0]=3 12253 B14R1.157 CCCCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000210215 [0,2,0,0,0,0|1,0,0]=3 12254 B14R1.157 CCCCCN(C)Cc1ccc(o1)Br 270004a_100000223495_100000185145 [0,2,0,0,0,0|1,0,0]=3 12255 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210326 [0,2,0,0,0,0|1,0,0]=3 12256 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000210215 [0,2,0,0,0,0|1,0,0]=3 12257 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 270004a_100000223495_100000183696 [0,2,0,0,0,0|1,0,0]=3 12258 B14R1.157 CCCCCN(C)Cc1ccc(o1)C 34a_100000184526_100000718602 [0,2,0,0,0,0|1,0,0]=3 12259 B14R1.157 CCCCCN(C)Cc1ccc(o1)Cl 270004a_100000223495_100000188459 [0,2,0,0,0,0|1,0,0]=3 12260 B14R1.157 CCCCCN(C)Cc1ccc(s1)Br 2230a_100000223495_100000708592 [0,2,0,0,0,0|1,1,0]=4 12261 B14R1.157 CCCCCN(C)Cc1ccc(s1)Br 269982a_100000223495_100000708592 [0,2,0,0,0,0|1,1,0]=4 12262 B14R1.157 CCCCCN(C)Cc1ccc(s1)Br 270004a_100000223495_100000179771 [0,2,0,0,0,0|1,1,0]=4 12263 B14R1.157 CCCCCN(C)Cc1ccc(s1)C 2230a_100000751125_100000210326 [0,2,0,0,0,0|1,1,0]=4 12264 B14R1.157 CCCCCN(C)Cc1ccc(s1)C 269982a_100000751125_100000210215 [0,2,0,0,0,0|1,1,0]=4 12265 B14R1.157 CCCCCN(C)Cc1ccc(s1)C 270004a_100000223495_100000211121 [0,2,0,0,0,0|1,1,0]=4 12266 B14R1.157 CCCCCN(C)Cc1ccc(s1)Cl 2230a_100000223495_100000185097 [0,2,0,0,0,0|1,1,0]=4 12267 B14R1.157 CCCCCN(C)Cc1ccc(s1)Cl 269982a_100000223495_100000185097 [0,2,0,0,0,0|1,1,0]=4 12268 B14R1.157 CCCCCN(C)Cc1ccc(s1)Cl 270004a_100000223495_100000242774 [0,2,0,0,0,0|1,1,0]=4 12269 B14R1.157 CCCCCN(C)Cc1cnc(o1)C 270004a_100000223495_100000084308 [0,2,0,0,0,0|2,0,0]=4 12270 B14R1.157 CCOCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100011215890 [0,2,0,0,0,0|2,0,0]=4 12271 B14R1.157 CCOCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100011215890 [0,2,0,0,0,0|2,0,0]=4 12272 B14R1.157 CCOCCN(C)Cc1ccc(o1)C 2230a_100000184526_100011215890 [0,2,0,0,0,0|2,0,0]=4 12273 B14R1.157 CCOCCN(C)Cc1ccc(o1)C 269982a_100000184526_100011215890 [0,2,0,0,0,0|2,0,0]=4 12274 B14R1.157 CCOCCN(C)Cc1ccc(o1)C 34a_100000184526_100000210147 [0,2,0,0,0,0|2,0,0]=4 12275 B14R1.157 CCSCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000757381 [0,2,0,0,0,0|2,0,0]=4 12276 B14R1.157 CCSCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000757381 [0,2,0,0,0,0|2,0,0]=4 12277 B14R1.157 CCSCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000757381 [0,2,0,0,0,0|2,0,0]=4 12278 B14R1.157 CCSCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000757381 [0,2,0,0,0,0|2,0,0]=4 12279 B14R1.157 CCSCCN(C)Cc1ccc(o1)C 34a_100000184526_100000757381 [0,2,0,0,0,0|2,0,0]=4 12280 B14R1.157 CN(CCCCF)Cc1ccc(o1)Br 2230a_100000207588_100000729493 [0,2,0,0,0,0|2,0,0]=4 12281 B14R1.157 CN(CCCCF)Cc1ccc(o1)Br 269982a_100000207588_100000729493 [0,2,0,0,0,0|2,0,0]=4 12282 B14R1.157 CN(CCCCO)Cc1cc(co1)Br 270004a_100000717598_100000747035 [0,2,0,0,0,0|2,0,0]=4 12283 B14R1.157 CN(CCCCO)Cc1ccc(o1)Br 2230a_100000207588_100000210776 [0,2,0,0,0,0|2,0,0]=4 12284 B14R1.157 CN(CCCCO)Cc1ccc(o1)Br 269982a_100000207588_100000210776 [0,2,0,0,0,0|2,0,0]=4 12285 B14R1.157 CN(CCCCO)Cc1ccc(o1)Br 270004a_100000717598_100000185145 [0,2,0,0,0,0|2,0,0]=4 12286 B14R1.157 CN(CCCCO)Cc1ccc(o1)Cl 270004a_100000717598_100000188459 [0,2,0,0,0,0|2,0,0]=4 12287 B14R1.157 COCCCN(C)Cc1cc(co1)Br 270004a_100000224831_100000747035 [0,2,0,0,0,0|2,0,0]=4 12288 B14R1.157 COCCCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000740836 [0,2,0,0,0,0|2,0,0]=4 12289 B14R1.157 COCCCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000740836 [0,2,0,0,0,0|2,0,0]=4 12290 B14R1.157 COCCCN(C)Cc1ccc(o1)Br 270004a_100000224831_100000185145 [0,2,0,0,0,0|2,0,0]=4 12291 B14R1.157 COCCCN(C)Cc1ccc(o1)C 2230a_100000184526_100000740836 [0,2,0,0,0,0|2,0,0]=4 12292 B14R1.157 COCCCN(C)Cc1ccc(o1)C 269982a_100000184526_100000740836 [0,2,0,0,0,0|2,0,0]=4 12293 B14R1.157 COCCCN(C)Cc1ccc(o1)C 270004a_100000224831_100000183696 [0,2,0,0,0,0|2,0,0]=4 12294 B14R1.157 COCCCN(C)Cc1ccc(o1)C 34a_100000184526_100000740836 [0,2,0,0,0,0|2,0,0]=4 12295 B14R1.157 COCCCN(C)Cc1ccc(o1)Cl 270004a_100000224831_100000188459 [0,2,0,0,0,0|2,0,0]=4 12296 B14R1.157 Cc1ccc(o1)CN(C)CCCCF 2230a_100000184526_100000729493 [0,2,0,0,0,0|2,0,0]=4 12297 B14R1.157 Cc1ccc(o1)CN(C)CCCCF 269982a_100000184526_100000729493 [0,2,0,0,0,0|2,0,0]=4 12298 B14R1.157 Cc1ccc(o1)CN(C)CCCCF 34a_100000184526_100000729493 [0,2,0,0,0,0|2,0,0]=4 12299 B14R1.157 Cc1ccc(o1)CN(C)CCCCO 2230a_100000184526_100000210776 [0,2,0,0,0,0|2,0,0]=4 12300 B14R1.157 Cc1ccc(o1)CN(C)CCCCO 269982a_100000184526_100000210776 [0,2,0,0,0,0|2,0,0]=4 12301 B14R1.157 Cc1ccc(o1)CN(C)CCCCO 270004a_100000717598_100000183696 [0,2,0,0,0,0|2,0,0]=4 12302 B14R1.157 Cc1ccc(o1)CN(C)CCCCO 34a_100000184526_100011216708 [0,2,0,0,0,0|2,0,0]=4 12303 B14R1.519 CCCC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747444 [0,2,0,0,0,0|1,0,1]=4 12304 B14R1.519 CCCC(=O)COCc1ccc(o1)C 7a_100011232665_100000747444 [0,2,0,0,0,0|1,0,1]=4 12305 B14R1.519 CCCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000211992 [0,2,0,0,0,0|1,0,1]=4 12306 B14R1.519 CCCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000211992 [0,2,0,0,0,0|1,0,1]=4 12307 B14R1.519 CCCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000211992 [0,2,0,0,0,0|1,0,1]=4 12308 B14R1.519 CCCC(C)CNCc1cc(cs1)Br 2230a_100000741024_100011216630 [0,2,0,0,0,0|1,1,0]=4 12309 B14R1.519 CCCC(C)CNCc1cc(cs1)Br 270004a_100000741024_100000243154 [0,2,0,0,0,0|1,1,0]=4 12310 B14R1.519 CCCC(C)CNCc1cc(cs1)Br 34a_100000741024_100011216630 [0,2,0,0,0,0|1,1,0]=4 12311 B14R1.519 CCCC(C)CNCc1cc(cs1)C 2230a_100015204214_100011216630 [0,2,0,0,0,0|1,1,0]=4 12312 B14R1.519 CCCC(C)CNCc1cc(cs1)C 270004a_100015204214_100000243154 [0,2,0,0,0,0|1,1,0]=4 12313 B14R1.519 CCCC(C)CNCc1cc(cs1)C 34a_100015204214_100011216630 [0,2,0,0,0,0|1,1,0]=4 12314 B14R1.519 CCCC(C)CNCc1cc(no1)Br 2230a_100015193020_100011216630 [0,2,0,0,0,0|2,0,0]=4 12315 B14R1.519 CCCC(C)CNCc1cc(no1)Br 34a_100015193020_100011216630 [0,2,0,0,0,0|2,0,0]=4 12316 B14R1.519 CCCC(C)CNCc1cc(no1)C 2230a_100000745748_100011216630 [0,2,0,0,0,0|2,0,0]=4 12317 B14R1.519 CCCC(C)CNCc1cc(no1)C 270004a_100000745748_100000243154 [0,2,0,0,0,0|2,0,0]=4 12318 B14R1.519 CCCC(C)CNCc1cc(no1)C 34a_100000745748_100011216630 [0,2,0,0,0,0|2,0,0]=4 12319 B14R1.519 CCCC(C)CNCc1ccc(o1)Br 270004a_100000708654_100000243154 [0,2,0,0,0,0|1,0,0]=3 12320 B14R1.519 CCCC(C)CNCc1ccc(o1)Br 34a_100000708654_100011216630 [0,2,0,0,0,0|1,0,0]=3 12321 B14R1.519 CCCC(C)CNCc1ccc(o1)C 270004a_100011194323_100000243154 [0,2,0,0,0,0|1,0,0]=3 12322 B14R1.519 CCCC(C)CNCc1ccc(o1)C 34a_100011194323_100011216630 [0,2,0,0,0,0|1,0,0]=3 12323 B14R1.519 CCCC(C)CNCc1ccc(s1)Br 270004a_100000737305_100000243154 [0,2,0,0,0,0|1,1,0]=4 12324 B14R1.519 CCCC(C)CNCc1ccc(s1)C 2230a_100000238518_100011216630 [0,2,0,0,0,0|1,1,0]=4 12325 B14R1.519 CCCC(C)CNCc1ccc(s1)C 270004a_100000238518_100000243154 [0,2,0,0,0,0|1,1,0]=4 12326 B14R1.519 CCCC(C)CNCc1ccc(s1)Cl 2230a_100000737310_100011216630 [0,2,0,0,0,0|1,1,0]=4 12327 B14R1.519 CCCC(C)CNCc1ccc(s1)Cl 270004a_100000737310_100000243154 [0,2,0,0,0,0|1,1,0]=4 12328 B14R1.519 CCCC(C)CNCc1ncc(o1)C 2230a_100138411809_100011216630 [0,2,0,0,0,0|2,0,0]=4 12329 B14R1.519 CCCC(C)CNCc1ncc(o1)C 34a_100138411809_100011216630 [0,2,0,0,0,0|2,0,0]=4 12330 B14R1.519 CCCC(C)COCc1cc(cs1)Br 34a_100000238369_100011216630 [0,2,0,0,0,0|1,1,0]=4 12331 B14R1.519 CCCC(C)COCc1cc(cs1)Br 34a_100000688023_100000746031 [0,2,0,0,0,0|1,1,0]=4 12332 B14R1.519 CCCC(C)COCc1cc(cs1)Br 7a_100000238369_100011216630 [0,2,0,0,0,0|1,1,0]=4 12333 B14R1.519 CCCC(C)COCc1cc(cs1)Br 7a_100000688023_100000746031 [0,2,0,0,0,0|1,1,0]=4 12334 B14R1.519 CCCC(C)COCc1cc(cs1)C 34a_200000068372_100011216630 [0,2,0,0,0,0|1,1,0]=4 12335 B14R1.519 CCCC(C)COCc1cc(cs1)C 7a_200000068372_100011216630 [0,2,0,0,0,0|1,1,0]=4 12336 B14R1.519 CCCC(C)COCc1cc(no1)Br 34a_100009816691_100011216630 [0,2,0,0,0,0|2,0,0]=4 12337 B14R1.519 CCCC(C)COCc1cc(no1)Br 7a_100000688023_100000709089 [0,2,0,0,0,0|2,0,0]=4 12338 B14R1.519 CCCC(C)COCc1cc(no1)C 34a_100000684692_100011216630 [0,2,0,0,0,0|2,0,0]=4 12339 B14R1.519 CCCC(C)COCc1cc(no1)C 34a_100000688023_100000707947 [0,2,0,0,0,0|2,0,0]=4 12340 B14R1.519 CCCC(C)COCc1cc(no1)C 7a_100000688023_100000707947 [0,2,0,0,0,0|2,0,0]=4 12341 B14R1.519 CCCC(C)COCc1ccc(o1)Br 34a_100000246276_100011216630 [0,2,0,0,0,0|1,0,0]=3 12342 B14R1.519 CCCC(C)COCc1ccc(o1)Br 7a_100000246276_100011216630 [0,2,0,0,0,0|1,0,0]=3 12343 B14R1.519 CCCC(C)COCc1ccc(o1)C 34a_100011232665_100011216630 [0,2,0,0,0,0|1,0,0]=3 12344 B14R1.519 CCCC(C)COCc1ccc(o1)C 7a_100011232665_100011216630 [0,2,0,0,0,0|1,0,0]=3 12345 B14R1.519 CCCC(C)COCc1ccc(s1)Br 34a_100000688023_100000708592 [0,2,0,0,0,0|1,1,0]=4 12346 B14R1.519 CCCC(C)COCc1ccc(s1)Br 7a_100000688023_100000708592 [0,2,0,0,0,0|1,1,0]=4 12347 B14R1.519 CCCC(C)COCc1ccc(s1)C 34a_100000238367_100011216630 [0,2,0,0,0,0|1,1,0]=4 12348 B14R1.519 CCCC(C)COCc1ccc(s1)Cl 34a_100000688023_100000185097 [0,2,0,0,0,0|1,1,0]=4 12349 B14R1.519 CCCC(C)COCc1ccc(s1)Cl 7a_100000688023_100000185097 [0,2,0,0,0,0|1,1,0]=4 12350 B14R1.519 CCCC(C)CSCc1cc(cs1)Br 62a_100000746031_100011216630 [0,2,0,0,0,0|1,1,0]=4 12351 B14R1.519 CCCC(C)CSCc1cc(cs1)Br 62a_100011216630_100000746031 [0,2,0,0,0,0|1,1,0]=4 12352 B14R1.519 CCCC(C)CSCc1cc(no1)Br 62a_100000709089_100011216630 [0,2,0,0,0,0|2,0,0]=4 12353 B14R1.519 CCCC(C)CSCc1cc(no1)Br 62a_100011216630_100000709089 [0,2,0,0,0,0|2,0,0]=4 12354 B14R1.519 CCCC(C)CSCc1cc(no1)C 62a_100000707947_100011216630 [0,2,0,0,0,0|2,0,0]=4 12355 B14R1.519 CCCC(C)CSCc1cc(no1)C 62a_100011216630_100000707947 [0,2,0,0,0,0|2,0,0]=4 12356 B14R1.519 CCCC(C)CSCc1ccc(s1)Br 62a_100000708592_100011216630 [0,2,0,0,0,0|1,1,0]=4 12357 B14R1.519 CCCC(C)CSCc1ccc(s1)Br 62a_100011216630_100000708592 [0,2,0,0,0,0|1,1,0]=4 12358 B14R1.519 CCCC(C)CSCc1ccc(s1)Cl 62a_100000185097_100011216630 [0,2,0,0,0,0|1,1,0]=4 12359 B14R1.519 CCCC(C)CSCc1ccc(s1)Cl 62a_100011216630_100000185097 [0,2,0,0,0,0|1,1,0]=4 12360 B14R1.519 CCCC(C)NCCc1ccc(o1)C 2230a_100000739271_100000766640 [0,2,0,0,0,0|1,0,0]=3 12361 B14R1.519 CCCC(C)NCCc1ccc(o1)C 270004a_100000739271_100000211909 [0,2,0,0,0,0|1,0,0]=3 12362 B14R1.519 CCCC(C)NCCc1ccc(o1)C 34a_100000739271_100000766640 [0,2,0,0,0,0|1,0,0]=3 12363 B14R1.519 CCCC(C)NCCc1ccc(s1)Br 2230a_100000217605_100000766640 [0,2,0,0,0,0|1,1,0]=4 12364 B14R1.519 CCCC(C)NCCc1ccc(s1)Br 270004a_100000217605_100000211909 [0,2,0,0,0,0|1,1,0]=4 12365 B14R1.519 CCCC(C)OCCc1cc(no1)Br 34a_100009816916_100000766640 [0,2,0,0,0,0|2,0,0]=4 12366 B14R1.519 CCCC(C)OCCc1ccc(o1)C 34a_100012161071_100000766640 [0,2,0,0,0,0|1,0,0]=3 12367 B14R1.519 CCCC(C)OCCc1ccc(o1)C 7a_100012161071_100000766640 [0,2,0,0,0,0|1,0,0]=3 12368 B14R1.519 CCC[C@H](N)COCc1cc(cs1)Br 34a_100000732646_100000746031 [0,2,0,0,0,0|1,1,0]=4 12369 B14R1.519 CCC[C@H](N)COCc1cc(no1)C 34a_100000732646_100000707947 [0,2,0,0,0,0|2,0,0]=4 12370 B14R1.519 CCC[C@H](N)COCc1ccc(s1)Br 34a_100000732646_100000708592 [0,2,0,0,0,0|1,1,0]=4 12371 B14R1.519 CCC[C@H](N)COCc1ccc(s1)Cl 34a_100000732646_100000185097 [0,2,0,0,0,0|1,1,0]=4 12372 B14R1.519 COCC(C)NCCc1ccc(o1)C 2230a_100000739271_100000765312 [0,2,0,0,0,0|2,0,0]=4 12373 B14R1.519 COCC(C)NCCc1ccc(o1)C 270004a_100000739271_100000749346 [0,2,0,0,0,0|2,0,0]=4 12374 B14R1.519 COCC(C)NCCc1ccc(o1)C 34a_100000739271_100000765312 [0,2,0,0,0,0|2,0,0]=4 12375 B14R1.519 COCC(C)OCCc1ccc(o1)C 34a_100012161071_100000765312 [0,2,0,0,0,0|2,0,0]=4 12376 B14R1.519 COCC(C)OCCc1ccc(o1)C 7a_100012161071_100000765312 [0,2,0,0,0,0|2,0,0]=4 12377 B14R1.519 COCC(O)CNCc1cc(co1)Br 270004a_100000756049_100000747035 [0,2,0,0,0,0|2,0,0]=4 12378 B14R1.519 COCC(O)CNCc1ccc(o1)Br 207a_100000756049_100000185145 [0,2,0,0,0,0|2,0,0]=4 12379 B14R1.519 COCC(O)CNCc1ccc(o1)Br 270004a_100000756049_100000185145 [0,2,0,0,0,0|2,0,0]=4 12380 B14R1.519 COCC(O)CNCc1ccc(o1)Br 34a_100000708654_100011215053 [0,2,0,0,0,0|2,0,0]=4 12381 B14R1.519 COCC(O)CNCc1ccc(o1)C 207a_100000756049_100000183696 [0,2,0,0,0,0|2,0,0]=4 12382 B14R1.519 COCC(O)CNCc1ccc(o1)C 270004a_100000756049_100000183696 [0,2,0,0,0,0|2,0,0]=4 12383 B14R1.519 COCC(O)CNCc1ccc(o1)C 34a_100011194323_100011215053 [0,2,0,0,0,0|2,0,0]=4 12384 B14R1.519 COCC(O)CNCc1ccc(o1)Cl 207a_100000756049_100000188459 [0,2,0,0,0,0|2,0,0]=4 12385 B14R1.519 COCC(O)CNCc1ccc(o1)Cl 270004a_100000756049_100000188459 [0,2,0,0,0,0|2,0,0]=4 12386 B14R1.519 COCC(O)CNCc1ccc(o1)I 207a_100000756049_100000186757 [0,2,0,0,0,0|2,0,0]=4 12387 B14R1.519 COCC(O)COCc1ccc(o1)Br 34a_100000246276_100011215053 [0,2,0,0,0,0|2,0,0]=4 12388 B14R1.519 COCC(O)COCc1ccc(o1)Br 7a_100000246276_100011215053 [0,2,0,0,0,0|2,0,0]=4 12389 B14R1.519 COCC(O)COCc1ccc(o1)C 34a_100011232665_100011215053 [0,2,0,0,0,0|2,0,0]=4 12390 B14R1.519 COCC(O)COCc1ccc(o1)C 7a_100011232665_100011215053 [0,2,0,0,0,0|2,0,0]=4 12391 B14R1.519 CSCC(C)NCCc1ccc(o1)C 270004a_100000739271_100011216314 [0,2,0,0,0,0|2,0,0]=4 12392 B14R1.519 Cc1ccc(o1)CCNC(C)CCO 2230a_100000739271_100009893172 [0,2,0,0,0,0|2,0,0]=4 12393 B14R1.519 Cc1ccc(o1)CCNC(C)CCO 34a_100000739271_100009893172 [0,2,0,0,0,0|2,0,0]=4 12394 B14R1.519 Cc1ccc(o1)CCOC(C)CCO 34a_100012161071_100009893172 [0,2,0,0,0,0|2,0,0]=4 12395 B14R1.519 Cc1ccc(o1)CCOC(C)CCO 7a_100012161071_100009893172 [0,2,0,0,0,0|2,0,0]=4 12396 B14R1.715 CC(CO)CCNCc1cc(co1)Br 270004a_106354213184_100000747035 [0,2,0,0,0,0|2,0,0]=4 12397 B14R1.715 CC(CO)CCNCc1ccc(o1)Br 207a_106354213184_100000185145 [0,2,0,0,0,0|2,0,0]=4 12398 B14R1.715 CC(CO)CCNCc1ccc(o1)Br 270004a_106354213184_100000185145 [0,2,0,0,0,0|2,0,0]=4 12399 B14R1.715 CC(CO)CCNCc1ccc(o1)Cl 207a_106354213184_100000188459 [0,2,0,0,0,0|2,0,0]=4 12400 B14R1.715 CC(CO)CCNCc1ccc(o1)Cl 270004a_106354213184_100000188459 [0,2,0,0,0,0|2,0,0]=4 12401 B14R1.715 CC(CO)CCNCc1ccc(o1)I 207a_106354213184_100000186757 [0,2,0,0,0,0|2,0,0]=4 12402 B14R1.715 CCC(=O)COCCc1ccc(o1)C 7a_100012161071_100000747405 [0,2,0,0,0,0|1,0,1]=4 12403 B14R1.715 CCC(C)CCNCc1cc(c[nH]1)Br 270004a_100020591266_100000720742 [0,2,0,0,0,0|2,0,0]=4 12404 B14R1.715 CCC(C)CCNCc1cc(co1)Br 270004a_100020591266_100000747035 [0,2,0,0,0,0|1,0,0]=3 12405 B14R1.715 CCC(C)CCNCc1cc(cs1)Br 207a_100020591266_100000211722 [0,2,0,0,0,0|1,1,0]=4 12406 B14R1.715 CCC(C)CCNCc1cc(cs1)Br 2230a_100020591266_100000746031 [0,2,0,0,0,0|1,1,0]=4 12407 B14R1.715 CCC(C)CCNCc1cc(cs1)Br 270004a_100020591266_100000211722 [0,2,0,0,0,0|1,1,0]=4 12408 B14R1.715 CCC(C)CCNCc1cc(cs1)C 207a_100020591266_100102525248 [0,2,0,0,0,0|1,1,0]=4 12409 B14R1.715 CCC(C)CCNCc1cc(cs1)C 270004a_100020591266_100102525248 [0,2,0,0,0,0|1,1,0]=4 12410 B14R1.715 CCC(C)CCNCc1cc(cs1)Cl 207a_100020591266_100000102487 [0,2,0,0,0,0|1,1,0]=4 12411 B14R1.715 CCC(C)CCNCc1cc(cs1)Cl 270004a_100020591266_100000102487 [0,2,0,0,0,0|1,1,0]=4 12412 B14R1.715 CCC(C)CCNCc1cc(cs1)I 207a_100020591266_100010179861 [0,2,0,0,0,0|1,1,0]=4 12413 B14R1.715 CCC(C)CCNCc1cc(no1)Br 270004a_100020591266_100009819588 [0,2,0,0,0,0|2,0,0]=4 12414 B14R1.715 CCC(C)CCNCc1cc(no1)C 207a_100020591266_100011794430 [0,2,0,0,0,0|2,0,0]=4 12415 B14R1.715 CCC(C)CCNCc1cc(no1)C 2230a_100020591266_100000707947 [0,2,0,0,0,0|2,0,0]=4 12416 B14R1.715 CCC(C)CCNCc1cc(no1)C 270004a_100020591266_100011794430 [0,2,0,0,0,0|2,0,0]=4 12417 B14R1.715 CCC(C)CCNCc1ccc(o1)Br 207a_100020591266_100000185145 [0,2,0,0,0,0|1,0,0]=3 12418 B14R1.715 CCC(C)CCNCc1ccc(o1)Br 270004a_100020591266_100000185145 [0,2,0,0,0,0|1,0,0]=3 12419 B14R1.715 CCC(C)CCNCc1ccc(o1)C 207a_100020591266_100000183696 [0,2,0,0,0,0|1,0,0]=3 12420 B14R1.715 CCC(C)CCNCc1ccc(o1)C 270004a_100020591266_100000183696 [0,2,0,0,0,0|1,0,0]=3 12421 B14R1.715 CCC(C)CCNCc1ccc(o1)Cl 207a_100020591266_100000188459 [0,2,0,0,0,0|1,0,0]=3 12422 B14R1.715 CCC(C)CCNCc1ccc(o1)Cl 270004a_100020591266_100000188459 [0,2,0,0,0,0|1,0,0]=3 12423 B14R1.715 CCC(C)CCNCc1ccc(o1)I 207a_100020591266_100000186757 [0,2,0,0,0,0|1,0,0]=3 12424 B14R1.715 CCC(C)CCNCc1ccc(s1)Br 207a_100020591266_100000179771 [0,2,0,0,0,0|1,1,0]=4 12425 B14R1.715 CCC(C)CCNCc1ccc(s1)Br 2230a_100020591266_100000708592 [0,2,0,0,0,0|1,1,0]=4 12426 B14R1.715 CCC(C)CCNCc1ccc(s1)Br 270004a_100020591266_100000179771 [0,2,0,0,0,0|1,1,0]=4 12427 B14R1.715 CCC(C)CCNCc1ccc(s1)C 207a_100020591266_100000211121 [0,2,0,0,0,0|1,1,0]=4 12428 B14R1.715 CCC(C)CCNCc1ccc(s1)C 270004a_100020591266_100000211121 [0,2,0,0,0,0|1,1,0]=4 12429 B14R1.715 CCC(C)CCNCc1ccc(s1)Cl 207a_100020591266_100000242774 [0,2,0,0,0,0|1,1,0]=4 12430 B14R1.715 CCC(C)CCNCc1ccc(s1)Cl 2230a_100020591266_100000185097 [0,2,0,0,0,0|1,1,0]=4 12431 B14R1.715 CCC(C)CCNCc1ccc(s1)Cl 270004a_100020591266_100000242774 [0,2,0,0,0,0|1,1,0]=4 12432 B14R1.715 CCC(C)CCNCc1cnc(o1)C 207a_100020591266_100000084308 [0,2,0,0,0,0|2,0,0]=4 12433 B14R1.715 CCC(C)CCNCc1cnc(o1)C 270004a_100020591266_100000084308 [0,2,0,0,0,0|2,0,0]=4 12434 B14R1.715 CCC(C)CCOCc1cc(cs1)Br 7a_100011215188_100000746031 [0,2,0,0,0,0|1,1,0]=4 12435 B14R1.715 CCC(C)CCOCc1cc(no1)Br 7a_100011215188_100000709089 [0,2,0,0,0,0|2,0,0]=4 12436 B14R1.715 CCC(C)CCOCc1cc(no1)C 7a_100011215188_100000707947 [0,2,0,0,0,0|2,0,0]=4 12437 B14R1.715 CCC(C)CCOCc1ccc(s1)Br 7a_100011215188_100000708592 [0,2,0,0,0,0|1,1,0]=4 12438 B14R1.715 CCC(C)CCOCc1ccc(s1)Cl 7a_100011215188_100000185097 [0,2,0,0,0,0|1,1,0]=4 12439 B14R1.715 CCC(C)CNCCc1ccc(o1)C 2230a_100000739271_100000748023 [0,2,0,0,0,0|1,0,0]=3 12440 B14R1.715 CCC(C)CNCCc1ccc(o1)C 270004a_100000739271_100000243153 [0,2,0,0,0,0|1,0,0]=3 12441 B14R1.715 CCC(C)CNCCc1ccc(o1)C 34a_100000739271_100000748023 [0,2,0,0,0,0|1,0,0]=3 12442 B14R1.715 CCC(C)CNCCc1ccc(s1)Br 2230a_100000217605_100000748023 [0,2,0,0,0,0|1,1,0]=4 12443 B14R1.715 CCC(C)CNCCc1ccc(s1)Br 270004a_100000217605_100000243153 [0,2,0,0,0,0|1,1,0]=4 12444 B14R1.715 CCC(C)COCCc1cc(no1)Br 34a_100009816916_100000748023 [0,2,0,0,0,0|2,0,0]=4 12445 B14R1.715 CCC(C)COCCc1ccc(o1)C 34a_100012161071_100000748023 [0,2,0,0,0,0|1,0,0]=3 12446 B14R1.715 CCC(C)COCCc1ccc(o1)C 7a_100012161071_100000748023 [0,2,0,0,0,0|1,0,0]=3 12447 B14R1.715 CCC(O)CNCCc1ccc(o1)C 2230a_100000739271_100011218378 [0,2,0,0,0,0|1,0,0]=3 12448 B14R1.715 CCC(O)CNCCc1ccc(o1)C 34a_100000739271_100011218378 [0,2,0,0,0,0|1,0,0]=3 12449 B14R1.715 CCC(O)CNCCc1ccc(s1)Br 2230a_100000217605_100011218378 [0,2,0,0,0,0|1,1,0]=4 12450 B14R1.715 CCC(O)COCCc1cc(no1)Br 34a_100009816916_100011218378 [0,2,0,0,0,0|2,0,0]=4 12451 B14R1.715 CCC(O)COCCc1ccc(o1)C 34a_100012161071_100011218378 [0,2,0,0,0,0|1,0,0]=3 12452 B14R1.715 CCC(O)COCCc1ccc(o1)C 7a_100012161071_100011218378 [0,2,0,0,0,0|1,0,0]=3 12453 B14R1.715 CC[C@H](C)CNCCc1ccc(o1)C 2230a_100000739271_100009816398 [0,2,0,0,0,0|1,0,0]=3 12454 B14R1.715 CC[C@H](C)CNCCc1ccc(o1)C 34a_100000739271_100009816398 [0,2,0,0,0,0|1,0,0]=3 12455 B14R1.715 CC[C@H](C)CNCCc1ccc(s1)Br 2230a_100000217605_100009816398 [0,2,0,0,0,0|1,1,0]=4 12456 B14R1.715 CC[C@H](C)COCCc1cc(no1)Br 34a_100009816916_100009816398 [0,2,0,0,0,0|2,0,0]=4 12457 B14R1.715 CC[C@H](C)COCCc1ccc(o1)C 34a_100012161071_100009816398 [0,2,0,0,0,0|1,0,0]=3 12458 B14R1.715 CC[C@H](C)COCCc1ccc(o1)C 7a_100012161071_100009816398 [0,2,0,0,0,0|1,0,0]=3 12459 B14R1.715 Cc1ccc(o1)CCNCC(O)CO 2230a_100000739271_100011219619 [0,2,0,0,0,0|2,0,0]=4 12460 B14R1.715 Cc1ccc(o1)CCNCC(O)CO 34a_100000739271_100011219619 [0,2,0,0,0,0|2,0,0]=4 12461 B14R1.715 Cc1ccc(o1)CCNC[C@@H](C)CO 2230a_100000739271_100000059175 [0,2,0,0,0,0|2,0,0]=4 12462 B14R1.715 Cc1ccc(o1)CCNC[C@@H](C)CO 34a_100000739271_100000059175 [0,2,0,0,0,0|2,0,0]=4 12463 B14R1.715 Cc1ccc(o1)CCNC[C@@H](O)CF 2230a_100000739271_100015614560 [0,2,0,0,0,0|2,0,0]=4 12464 B14R1.715 Cc1ccc(o1)CCNC[C@@H](O)CF 34a_100000739271_100015614560 [0,2,0,0,0,0|2,0,0]=4 12465 B14R1.715 Cc1ccc(o1)CCNC[C@@H](O)CO 2230a_100000739271_100009815848 [0,2,0,0,0,0|2,0,0]=4 12466 B14R1.715 Cc1ccc(o1)CCNC[C@@H](O)CO 34a_100000739271_100009815848 [0,2,0,0,0,0|2,0,0]=4 12467 B14R1.715 Cc1ccc(o1)CCOCC(O)CO 34a_100012161071_100011219619 [0,2,0,0,0,0|2,0,0]=4 12468 B14R1.715 Cc1ccc(o1)CCOCC(O)CO 7a_100012161071_100011219619 [0,2,0,0,0,0|2,0,0]=4 12469 B14R1.715 Cc1ccc(o1)CCOC[C@@H](C)CO 34a_100012161071_100000059175 [0,2,0,0,0,0|2,0,0]=4 12470 B14R1.715 Cc1ccc(o1)CCOC[C@@H](C)CO 7a_100012161071_100000059175 [0,2,0,0,0,0|2,0,0]=4 12471 B14R1.715 Cc1ccc(o1)CCOC[C@@H](O)CF 34a_100012161071_100015614560 [0,2,0,0,0,0|2,0,0]=4 12472 B14R1.715 Cc1ccc(o1)CCOC[C@@H](O)CF 7a_100012161071_100015614560 [0,2,0,0,0,0|2,0,0]=4 12473 B14R1.715 Cc1ccc(o1)CCOC[C@@H](O)CO 34a_100012161071_100009815848 [0,2,0,0,0,0|2,0,0]=4 12474 B14R1.715 Cc1ccc(o1)CCOC[C@@H](O)CO 7a_100012161071_100009815848 [0,2,0,0,0,0|2,0,0]=4 12475 B14R1.715 Cc1ccc(o1)CNCCC(C)CO 207a_106354213184_100000183696 [0,2,0,0,0,0|2,0,0]=4 12476 B14R1.715 Cc1ccc(o1)CNCCC(C)CO 270004a_106354213184_100000183696 [0,2,0,0,0,0|2,0,0]=4 12477 B14R1.3126 CCCCCCSc1sc(cc1C)C 62a_100000210314_100000689295 [0,2,0,0,0,0|1,1,0]=4 12478 B14R1.3126 CCCCCCSc1sc(cc1C)C 62a_100000689295_100000210757 [0,2,0,0,0,0|1,1,0]=4 12479 B14R1.3126 CCCCCNCc1oc(nc1C)C 207a_100000209983_100000734261 [0,2,0,0,0,0|2,0,0]=4 12480 B14R1.3126 CCCCCNCc1sc(cc1Br)C 207a_100000209983_100011361552 [0,2,0,0,0,0|1,1,0]=4 12481 B14R1.3126 CCCCCNCc1sc(cc1Br)C 270004a_100000209983_100011361552 [0,2,0,0,0,0|1,1,0]=4 12482 B14R1.3126 CCCCCNCc1sc(cc1Br)Cl 207a_100000209983_100021366026 [0,2,0,0,0,0|1,1,0]=4 12483 B14R1.3126 CCCCCNCc1sc(cc1Br)Cl 270004a_100000209983_100021366026 [0,2,0,0,0,0|1,1,0]=4 12484 B14R1.3126 CCCCCNCc1sc(cc1C)Br 207a_100000209983_100010221198 [0,2,0,0,0,0|1,1,0]=4 12485 B14R1.3126 CCCCCNCc1sc(cc1C)Br 270004a_100000209983_100010221198 [0,2,0,0,0,0|1,1,0]=4 12486 B14R1.3126 CCCCCNCc1sc(cc1Cl)Br 207a_100000209983_100015463987 [0,2,0,0,0,0|1,1,0]=4 12487 B14R1.3126 CCCCCNCc1sc(cc1Cl)Br 270004a_100000209983_100015463987 [0,2,0,0,0,0|1,1,0]=4 12488 B14R1.3126 CCCCCSCc1oc(=O)oc1C 62a_100000210326_100000068490 [0,2,0,0,0,0|2,0,0]=4 12489 B14R1.3127 CCCCCCNC1C=C(C(=O)O1)C 2230a_100000210581_200009893386 [0,2,0,0,0,0|1,0,1]=4 12490 B14R1.3127 CCCCCCSC1C=C(C(=O)O1)C 62a_100000210314_200009893386 [0,2,0,0,0,0|1,0,1]=4 12491 B14R1.3127 CCCCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210757 [0,2,0,0,0,0|1,0,1]=4 12492 B14R1.3127 CCCCCCSc1cc(c(s1)C)C 62a_100000210314_100009850898 [0,2,0,0,0,0|1,1,0]=4 12493 B14R1.3127 CCCCCCSc1cc(c(s1)C)C 62a_100009850898_100000210757 [0,2,0,0,0,0|1,1,0]=4 12494 B14R1.3127 CCCCCNCc1cc(c(o1)Br)Br 207a_100000209983_100000188521 [0,2,0,0,0,0|1,0,0]=3 12495 B14R1.3127 CCCCCNCc1cc(c(o1)Br)Br 270004a_100000209983_100000188521 [0,2,0,0,0,0|1,0,0]=3 12496 B14R1.3127 CCCCCNCc1cc(c(s1)Br)Br 207a_100000209983_100000763650 [0,2,0,0,0,0|1,1,0]=4 12497 B14R1.3127 CCCCCNCc1cc(c(s1)Br)Br 270004a_100000209983_100000763650 [0,2,0,0,0,0|1,1,0]=4 12498 B14R1.3127 CCCCCNCc1cc(c(s1)Br)C 207a_100000209983_100000761930 [0,2,0,0,0,0|1,1,0]=4 12499 B14R1.3127 CCCCCNCc1cc(c(s1)Br)C 270004a_100000209983_100000761930 [0,2,0,0,0,0|1,1,0]=4 12500 B14R1.3127 CCCCCNCc1cc(c(s1)C)Br 207a_100000209983_100000708457 [0,2,0,0,0,0|1,1,0]=4 12501 B14R1.3127 CCCCCNCc1cc(c(s1)C)Br 270004a_100000209983_100000708457 [0,2,0,0,0,0|1,1,0]=4 12502 B14R1.3127 CCCCCNCc1cc(c(s1)C)C 207a_100000209983_100011830369 [0,2,0,0,0,0|1,1,0]=4 12503 B14R1.3127 CCCCCNCc1cc(c(s1)C)C 270004a_100000209983_100011830369 [0,2,0,0,0,0|1,1,0]=4 12504 B14R1.3127 CCOCCNCc1cc(c(o1)Br)Br 207a_100011200944_100000188521 [0,2,0,0,0,0|2,0,0]=4 12505 B14R1.3127 CCOCCNCc1cc(c(o1)Br)Br 270004a_102516460346_100000188521 [0,2,0,0,0,0|2,0,0]=4 12506 B14R1.3127 CCSCCNCc1cc(c(o1)Br)Br 207a_100000106463_100000188521 [0,2,0,0,0,0|2,0,0]=4 12507 B14R1.3127 CCSCCNCc1cc(c(o1)Br)Br 270004a_100000106463_100000188521 [0,2,0,0,0,0|2,0,0]=4 12508 B14R1.3127 COCCCNCc1cc(c(o1)Br)Br 207a_100150723488_100000188521 [0,2,0,0,0,0|2,0,0]=4 12509 B14R1.3127 COCCCNCc1cc(c(o1)Br)Br 270004a_100150723488_100000188521 [0,2,0,0,0,0|2,0,0]=4 12510 B14R1.3127 CSCCCNCc1cc(c(o1)Br)Br 207a_100000749238_100000188521 [0,2,0,0,0,0|2,0,0]=4 12511 B14R1.3127 CSCCCNCc1cc(c(o1)Br)Br 270004a_100000749238_100000188521 [0,2,0,0,0,0|2,0,0]=4 12512 B14R1.3127 OCCCCNCc1cc(c(o1)Br)Br 207a_100000750430_100000188521 [0,2,0,0,0,0|2,0,0]=4 12513 B14R1.3127 OCCCCNCc1cc(c(o1)Br)Br 270004a_100000750430_100000188521 [0,2,0,0,0,0|2,0,0]=4 12514 B14R1.3452 CCCCCNCc1ccc(n1C)C 34a_100000744627_100000718602 [0,2,0,0,0,0|2,0,0]=4 12515 B14R1.3452 CCCCCNCc1scc(c1Br)Br 207a_100000209983_100012354027 [0,2,0,0,0,0|1,1,0]=4 12516 B14R1.3454 CCCCCC=Cc1ccc(o1)C#N 271570a_100000062253_100000764468 [0,2,0,0,0,0|0,0,2]=4 12517 B14R1.3454 CCCCCC=Cc1ccc(o1)C=O 271570a_100000062253_100000185145 [0,2,0,0,0,0|0,0,2]=4 12518 B14R1.3454 CCCCCC=Cc1ccc(o1)CN 271570a_100000062253_100000708654 [0,2,0,0,0,0|0,0,2]=4 12519 B14R1.3454 CCCCCC=Cc1ccc(o1)CO 271570a_100000062253_100000246276 [0,2,0,0,0,0|0,0,2]=4 12520 B14R1.3454 CCCCCCCc1nc(no1)CC 270196a_200000212204_100000211969 [0,2,0,0,0,0|2,0,0]=4 12521 B14R1.3454 CCCCCCCc1nc(no1)CF 270196a_200000032654_100000211969 [0,2,0,0,0,0|2,0,0]=4 12522 B14R1.3454 CCCCCCSc1cc(c[nH]1)C=O 62a_100000210314_100009882863 [0,2,0,0,0,0|2,0,0]=4 12523 B14R1.3454 CCCCCCSc1cc(c[nH]1)C=O 62a_100009882863_100000210757 [0,2,0,0,0,0|2,0,0]=4 12524 B14R1.3454 CCCCCCSc1cc(cs1)C=O 62a_100000210314_100000737087 [0,2,0,0,0,0|1,1,0]=4 12525 B14R1.3454 CCCCCCSc1cc(cs1)C=O 62a_100000737087_100000210757 [0,2,0,0,0,0|1,1,0]=4 12526 B14R1.3454 CCCCCCSc1ccc([nH]1)C=O 62a_100000210314_100009875417 [0,2,0,0,0,0|2,0,0]=4 12527 B14R1.3454 CCCCCCSc1ccc(o1)C#N 62a_100000210314_100000764468 [0,2,0,0,0,0|1,0,0]=3 12528 B14R1.3454 CCCCCCSc1ccc(o1)C=O 62a_100000210314_100000186757 [0,2,0,0,0,0|1,0,0]=3 12529 B14R1.3454 CCCCCCSc1ccc(o1)CN 62a_100000210314_100000708654 [0,2,0,0,0,0|1,0,0]=3 12530 B14R1.3454 CCCCCCSc1ccc(o1)CO 62a_100000210314_100000246276 [0,2,0,0,0,0|1,0,0]=3 12531 B14R1.3454 CCCCCCSc1ccc(o1)CO 62a_100000246276_100000210757 [0,2,0,0,0,0|1,0,0]=3 12532 B14R1.3454 CCCCCCSc1ccc(s1)C#N 62a_100000210314_100000737243 [0,2,0,0,0,0|1,1,0]=4 12533 B14R1.3454 CCCCCCSc1ccc(s1)C=O 62a_100000179771_100000210757 [0,2,0,0,0,0|1,1,0]=4 12534 B14R1.3454 CCCCCCSc1ccc(s1)C=O 62a_100000210314_100000179771 [0,2,0,0,0,0|1,1,0]=4 12535 B14R1.3454 CCCCCCSc1ccc(s1)CC 62a_100000210314_100009844052 [0,2,0,0,0,0|1,1,0]=4 12536 B14R1.3454 CCCCCCSc1ccc(s1)CC 62a_100009844052_100000210757 [0,2,0,0,0,0|1,1,0]=4 12537 B14R1.3454 CCCCCCSc1ccc(s1)CN 62a_100000210314_100000737305 [0,2,0,0,0,0|1,1,0]=4 12538 B14R1.3454 CCCCCCSc1ccc(s1)CN 62a_100000737305_100000210757 [0,2,0,0,0,0|1,1,0]=4 12539 B14R1.3454 CCCCCCSc1ccc(s1)CO 62a_100000210314_100000246291 [0,2,0,0,0,0|1,1,0]=4 12540 B14R1.3454 CCCCCCSc1ccc(s1)CO 62a_100000246291_100000210757 [0,2,0,0,0,0|1,1,0]=4 12541 B14R1.3454 CCCCCNCc1cc(no1)CC 207a_100000209983_100000118199 [0,2,0,0,0,0|2,0,0]=4 12542 B14R1.3454 CCCCCNCc1cc(no1)CC 2230a_100000209983_100012000519 [0,2,0,0,0,0|2,0,0]=4 12543 B14R1.3454 CCCCCNCc1cc(no1)CC 270004a_100000209983_100000118199 [0,2,0,0,0,0|2,0,0]=4 12544 B14R1.3454 CCCCCNCc1ccc(o1)C#N 2230a_100000209983_100009822536 [0,2,0,0,0,0|1,0,0]=3 12545 B14R1.3454 CCCCCNCc1ccc(o1)C=O 2230a_100000209983_200000079136 [0,2,0,0,0,0|1,0,0]=3 12546 B14R1.3454 CCCCCNCc1ccc(o1)CC 207a_100000209983_100000743199 [0,2,0,0,0,0|1,0,0]=3 12547 B14R1.3454 CCCCCNCc1ccc(o1)CC 270004a_100000209983_100000743199 [0,2,0,0,0,0|1,0,0]=3 12548 B14R1.3454 CCCCCNCc1ccc(o1)CO 207a_100000209983_100000758743 [0,2,0,0,0,0|1,0,0]=3 12549 B14R1.3454 CCCCCNCc1ccc(o1)CO 270004a_100000209983_100000758743 [0,2,0,0,0,0|1,0,0]=3 12550 B14R1.3454 CCCCCNCc1ccc(s1)C#N 207a_100000209983_100000091605 [0,2,0,0,0,0|1,1,0]=4 12551 B14R1.3454 CCCCCNCc1ccc(s1)C#N 2230a_100000209983_100010188212 [0,2,0,0,0,0|1,1,0]=4 12552 B14R1.3454 CCCCCNCc1ccc(s1)CC 207a_100000209983_100000746206 [0,2,0,0,0,0|1,1,0]=4 12553 B14R1.3454 CCCCCNCc1ccc(s1)CC 270004a_100000209983_100000746206 [0,2,0,0,0,0|1,1,0]=4 12554 B14R1.3454 CCCCCNCc1ccc(s1)SC 207a_100000209983_100000720245 [0,2,0,0,0,0|1,1,0]=4 12555 B14R1.3454 CCCCCNCc1ccc(s1)SC 270004a_100000209983_100000720245 [0,2,0,0,0,0|1,1,0]=4 12556 B14R1.3454 CCCCCOCc1cc(no1)CC 34a_100000210253_100012000519 [0,2,0,0,0,0|2,0,0]=4 12557 B14R1.3454 CCCCCOCc1cc(no1)CC 34a_100012002152_100000718602 [0,2,0,0,0,0|2,0,0]=4 12558 B14R1.3454 CCCCCOCc1cc(no1)CC 7a_100000210253_100012000519 [0,2,0,0,0,0|2,0,0]=4 12559 B14R1.3454 CCCCCOCc1ccc(o1)C#N 34a_100000210253_100009822536 [0,2,0,0,0,0|1,0,0]=3 12560 B14R1.3454 CCCCCOCc1ccc(o1)C#N 7a_100000210253_100009822536 [0,2,0,0,0,0|1,0,0]=3 12561 B14R1.3454 CCCCCOCc1ccc(o1)C=O 34a_100000210253_200000079136 [0,2,0,0,0,0|1,0,0]=3 12562 B14R1.3454 CCCCCOCc1ccc(o1)C=O 7a_100000210253_200000079136 [0,2,0,0,0,0|1,0,0]=3 12563 B14R1.3454 CCCCCOCc1ccc(s1)C#N 34a_100000210253_100010188212 [0,2,0,0,0,0|1,1,0]=4 12564 B14R1.3454 CCCCCOCc1ccc(s1)C#N 7a_100000210253_100010188212 [0,2,0,0,0,0|1,1,0]=4 12565 B14R1.3454 CCCCCSCc1cc(no1)CC 62a_100000210326_100012000519 [0,2,0,0,0,0|2,0,0]=4 12566 B14R1.3454 CCCCCSCc1cc(no1)CC 62a_100012000519_100000210326 [0,2,0,0,0,0|2,0,0]=4 12567 B14R1.3454 CCCCCSCc1ccc(o1)C#N 62a_100000210326_100009822536 [0,2,0,0,0,0|1,0,0]=3 12568 B14R1.3454 CCCCCSCc1ccc(o1)C=O 62a_100000210326_200000079136 [0,2,0,0,0,0|1,0,0]=3 12569 B14R1.3454 CCCCCSCc1ccc(s1)C#N 62a_100000210326_100010188212 [0,2,0,0,0,0|1,1,0]=4 12570 B14R1.3454 CCCCOCSc1ccc(o1)C#N 62a_100011995733_100000764468 [0,2,0,0,0,0|2,0,0]=4 12571 B14R1.3454 CCCCOCSc1ccc(o1)C=O 62a_100011995733_100000186757 [0,2,0,0,0,0|2,0,0]=4 12572 B14R1.3454 CCCCOCSc1ccc(o1)CN 62a_100011995733_100000708654 [0,2,0,0,0,0|2,0,0]=4 12573 B14R1.3454 CCCCOCSc1ccc(o1)CO 62a_100000246276_100011995733 [0,2,0,0,0,0|2,0,0]=4 12574 B14R1.3454 CCCCOCSc1ccc(o1)CO 62a_100011995733_100000246276 [0,2,0,0,0,0|2,0,0]=4 12575 B14R1.3454 CCCOCCSc1ccc(o1)C#N 62a_100011215938_100000764468 [0,2,0,0,0,0|2,0,0]=4 12576 B14R1.3454 CCCOCCSc1ccc(o1)C=O 62a_100011215938_100000186757 [0,2,0,0,0,0|2,0,0]=4 12577 B14R1.3454 CCCOCCSc1ccc(o1)CN 62a_100011215938_100000708654 [0,2,0,0,0,0|2,0,0]=4 12578 B14R1.3454 CCCOCCSc1ccc(o1)CO 62a_100000246276_100011215938 [0,2,0,0,0,0|2,0,0]=4 12579 B14R1.3454 CCCOCCSc1ccc(o1)CO 62a_100011215938_100000246276 [0,2,0,0,0,0|2,0,0]=4 12580 B14R1.3454 CCOCCCSc1ccc(o1)C#N 62a_100012232248_100000764468 [0,2,0,0,0,0|2,0,0]=4 12581 B14R1.3454 CCOCCCSc1ccc(o1)C=O 62a_100012232248_100000186757 [0,2,0,0,0,0|2,0,0]=4 12582 B14R1.3454 CCOCCCSc1ccc(o1)CN 62a_100012232248_100000708654 [0,2,0,0,0,0|2,0,0]=4 12583 B14R1.3454 CCOCCCSc1ccc(o1)CO 62a_100000246276_100012232248 [0,2,0,0,0,0|2,0,0]=4 12584 B14R1.3454 CCOCCCSc1ccc(o1)CO 62a_100012232248_100000246276 [0,2,0,0,0,0|2,0,0]=4 12585 B14R1.3454 CCOCCNCc1ccc(o1)C#N 2230a_102516460346_100009822536 [0,2,0,0,0,0|2,0,0]=4 12586 B14R1.3454 CCOCCNCc1ccc(o1)C#N 34a_102516460346_100009822536 [0,2,0,0,0,0|2,0,0]=4 12587 B14R1.3454 CCOCCNCc1ccc(o1)C=O 2230a_102516460346_200000079136 [0,2,0,0,0,0|2,0,0]=4 12588 B14R1.3454 CCOCCNCc1ccc(o1)C=O 34a_102516460346_200000079136 [0,2,0,0,0,0|2,0,0]=4 12589 B14R1.3454 CCOCCNCc1ccc(o1)CC 207a_100011200944_100000743199 [0,2,0,0,0,0|2,0,0]=4 12590 B14R1.3454 CCOCCNCc1ccc(o1)CC 270004a_102516460346_100000743199 [0,2,0,0,0,0|2,0,0]=4 12591 B14R1.3454 CCOCCNCc1ccc(o1)CO 207a_100011200944_100000758743 [0,2,0,0,0,0|2,0,0]=4 12592 B14R1.3454 CCOCCNCc1ccc(o1)CO 270004a_102516460346_100000758743 [0,2,0,0,0,0|2,0,0]=4 12593 B14R1.3454 CCOCCOCc1ccc(o1)C#N 34a_100000210136_100009822536 [0,2,0,0,0,0|2,0,0]=4 12594 B14R1.3454 CCOCCOCc1ccc(o1)C#N 7a_100000210136_100009822536 [0,2,0,0,0,0|2,0,0]=4 12595 B14R1.3454 CCOCCOCc1ccc(o1)C=O 34a_100000210136_200000079136 [0,2,0,0,0,0|2,0,0]=4 12596 B14R1.3454 CCOCCOCc1ccc(o1)C=O 7a_100000210136_200000079136 [0,2,0,0,0,0|2,0,0]=4 12597 B14R1.3454 CCOCCSCc1ccc(o1)C#N 62a_100000210147_100009822536 [0,2,0,0,0,0|2,0,0]=4 12598 B14R1.3454 CCOCCSCc1ccc(o1)C=O 62a_100000210147_200000079136 [0,2,0,0,0,0|2,0,0]=4 12599 B14R1.3454 CCSCCNCc1ccc(o1)C#N 2230a_100000106463_100009822536 [0,2,0,0,0,0|2,0,0]=4 12600 B14R1.3454 CCSCCNCc1ccc(o1)C=O 2230a_100000106463_200000079136 [0,2,0,0,0,0|2,0,0]=4 12601 B14R1.3454 CCSCCNCc1ccc(o1)CC 207a_100000106463_100000743199 [0,2,0,0,0,0|2,0,0]=4 12602 B14R1.3454 CCSCCNCc1ccc(o1)CC 270004a_100000106463_100000743199 [0,2,0,0,0,0|2,0,0]=4 12603 B14R1.3454 CCSCCNCc1ccc(o1)CO 207a_100000106463_100000758743 [0,2,0,0,0,0|2,0,0]=4 12604 B14R1.3454 CCSCCNCc1ccc(o1)CO 270004a_100000106463_100000758743 [0,2,0,0,0,0|2,0,0]=4 12605 B14R1.3454 CCSCCOCc1ccc(o1)C#N 34a_100000212035_100009822536 [0,2,0,0,0,0|2,0,0]=4 12606 B14R1.3454 CCSCCOCc1ccc(o1)C#N 7a_100000212035_100009822536 [0,2,0,0,0,0|2,0,0]=4 12607 B14R1.3454 CCSCCOCc1ccc(o1)C=O 34a_100000212035_200000079136 [0,2,0,0,0,0|2,0,0]=4 12608 B14R1.3454 CCSCCOCc1ccc(o1)C=O 7a_100000212035_200000079136 [0,2,0,0,0,0|2,0,0]=4 12609 B14R1.3454 CCSCCSCc1ccc(o1)C#N 62a_100000757381_100009822536 [0,2,0,0,0,0|2,0,0]=4 12610 B14R1.3454 CCSCCSCc1ccc(o1)C=O 62a_100000757381_200000079136 [0,2,0,0,0,0|2,0,0]=4 12611 B14R1.3454 CCc1ccc(o1)CNCCCCO 207a_100000750430_100000743199 [0,2,0,0,0,0|2,0,0]=4 12612 B14R1.3454 CCc1ccc(o1)CNCCCCO 270004a_100000750430_100000743199 [0,2,0,0,0,0|2,0,0]=4 12613 B14R1.3454 CCc1ccc(o1)CNCCCOC 207a_100150723488_100000743199 [0,2,0,0,0,0|2,0,0]=4 12614 B14R1.3454 CCc1ccc(o1)CNCCCOC 270004a_100150723488_100000743199 [0,2,0,0,0,0|2,0,0]=4 12615 B14R1.3454 CCc1ccc(o1)CNCCCSC 207a_100000749238_100000743199 [0,2,0,0,0,0|2,0,0]=4 12616 B14R1.3454 CCc1ccc(o1)CNCCCSC 270004a_100000749238_100000743199 [0,2,0,0,0,0|2,0,0]=4 12617 B14R1.3454 CNCCCOCc1ccc(o1)C#N 34a_100000213112_100009822536 [0,2,0,0,0,0|2,0,0]=4 12618 B14R1.3454 CNCCCOCc1ccc(o1)C=O 34a_100000213112_200000079136 [0,2,0,0,0,0|2,0,0]=4 12619 B14R1.3454 COCCCCSc1ccc(o1)C#N 62a_100000730899_100000764468 [0,2,0,0,0,0|2,0,0]=4 12620 B14R1.3454 COCCCCSc1ccc(o1)C=O 62a_100000730899_100000186757 [0,2,0,0,0,0|2,0,0]=4 12621 B14R1.3454 COCCCCSc1ccc(o1)CN 62a_100000730899_100000708654 [0,2,0,0,0,0|2,0,0]=4 12622 B14R1.3454 COCCCCSc1ccc(o1)CO 62a_100000246276_100000730899 [0,2,0,0,0,0|2,0,0]=4 12623 B14R1.3454 COCCCCSc1ccc(o1)CO 62a_100000730899_100000246276 [0,2,0,0,0,0|2,0,0]=4 12624 B14R1.3454 COCCCNCc1ccc(o1)C#N 34a_100150723488_100009822536 [0,2,0,0,0,0|2,0,0]=4 12625 B14R1.3454 COCCCNCc1ccc(o1)C=O 34a_100150723488_200000079136 [0,2,0,0,0,0|2,0,0]=4 12626 B14R1.3454 COCCCNCc1ccc(o1)CO 207a_100150723488_100000758743 [0,2,0,0,0,0|2,0,0]=4 12627 B14R1.3454 COCCCNCc1ccc(o1)CO 270004a_100150723488_100000758743 [0,2,0,0,0,0|2,0,0]=4 12628 B14R1.3454 COCCCOCc1ccc(o1)C#N 34a_100000740835_100009822536 [0,2,0,0,0,0|2,0,0]=4 12629 B14R1.3454 COCCCOCc1ccc(o1)C=O 34a_100000740835_200000079136 [0,2,0,0,0,0|2,0,0]=4 12630 B14R1.3454 COCCCSCc1ccc(o1)C#N 62a_100000709357_100009822536 [0,2,0,0,0,0|2,0,0]=4 12631 B14R1.3454 COCCCSCc1ccc(o1)C=O 62a_100000709357_200000079136 [0,2,0,0,0,0|2,0,0]=4 12632 B14R1.3454 CSCCCNCc1ccc(o1)C#N 2230a_100000749238_100009822536 [0,2,0,0,0,0|2,0,0]=4 12633 B14R1.3454 CSCCCNCc1ccc(o1)C=O 2230a_100000749238_200000079136 [0,2,0,0,0,0|2,0,0]=4 12634 B14R1.3454 CSCCCNCc1ccc(o1)CO 207a_100000749238_100000758743 [0,2,0,0,0,0|2,0,0]=4 12635 B14R1.3454 CSCCCNCc1ccc(o1)CO 270004a_100000749238_100000758743 [0,2,0,0,0,0|2,0,0]=4 12636 B14R1.3454 CSCCCOCc1ccc(o1)C#N 34a_100000690336_100009822536 [0,2,0,0,0,0|2,0,0]=4 12637 B14R1.3454 CSCCCOCc1ccc(o1)C#N 7a_100000690336_100009822536 [0,2,0,0,0,0|2,0,0]=4 12638 B14R1.3454 CSCCCOCc1ccc(o1)C=O 34a_100000690336_200000079136 [0,2,0,0,0,0|2,0,0]=4 12639 B14R1.3454 CSCCCOCc1ccc(o1)C=O 7a_100000690336_200000079136 [0,2,0,0,0,0|2,0,0]=4 12640 B14R1.3454 N#Cc1ccc(o1)CNCCCCO 2230a_100000750430_100009822536 [0,2,0,0,0,0|2,0,0]=4 12641 B14R1.3454 N#Cc1ccc(o1)CNCCCCO 34a_100000750430_100009822536 [0,2,0,0,0,0|2,0,0]=4 12642 B14R1.3454 N#Cc1ccc(o1)COCCCCBr 34a_100011216708_100009822536 [0,2,0,0,0,0|2,0,0]=4 12643 B14R1.3454 N#Cc1ccc(o1)COCCCCCl 34a_100000210776_100009822536 [0,2,0,0,0,0|2,0,0]=4 12644 B14R1.3454 N#Cc1ccc(o1)COCCCCCl 7a_100000210776_100009822536 [0,2,0,0,0,0|2,0,0]=4 12645 B14R1.3454 N#Cc1ccc(o1)COCCCCF 34a_100011995726_100009822536 [0,2,0,0,0,0|2,0,0]=4 12646 B14R1.3454 N#Cc1ccc(o1)COCCCCF 7a_100011995726_100009822536 [0,2,0,0,0,0|2,0,0]=4 12647 B14R1.3454 N#Cc1ccc(o1)COCCCCI 34a_200012148704_100009822536 [0,2,0,0,0,0|2,0,0]=4 12648 B14R1.3454 N#Cc1ccc(o1)COCCCCN 34a_100000750430_100009822536 [0,2,0,0,0,0|2,0,0]=4 12649 B14R1.3454 N#Cc1ccc(o1)CSCCCCF 62a_100000729493_100009822536 [0,2,0,0,0,0|2,0,0]=4 12650 B14R1.3454 N#Cc1ccc(o1)CSCCCCO 62a_100000210776_100009822536 [0,2,0,0,0,0|2,0,0]=4 12651 B14R1.3454 N#Cc1ccc(o1)SCCCCCF 62a_100000729378_100000764468 [0,2,0,0,0,0|2,0,0]=4 12652 B14R1.3454 N#Cc1ccc(o1)SCCCCCO 62a_100000746330_100000764468 [0,2,0,0,0,0|2,0,0]=4 12653 B14R1.3454 NCCCCOCc1ccc(o1)C=O 34a_100000750430_200000079136 [0,2,0,0,0,0|2,0,0]=4 12654 B14R1.3454 NCc1ccc(o1)SCCCCCF 62a_100000729378_100000708654 [0,2,0,0,0,0|2,0,0]=4 12655 B14R1.3454 NCc1ccc(o1)SCCCCCO 62a_100000746330_100000708654 [0,2,0,0,0,0|2,0,0]=4 12656 B14R1.3454 O=Cc1ccc(o1)CNCCCCO 2230a_100000750430_200000079136 [0,2,0,0,0,0|2,0,0]=4 12657 B14R1.3454 O=Cc1ccc(o1)CNCCCCO 34a_100000750430_200000079136 [0,2,0,0,0,0|2,0,0]=4 12658 B14R1.3454 O=Cc1ccc(o1)COCCCCBr 34a_100011216708_200000079136 [0,2,0,0,0,0|2,0,0]=4 12659 B14R1.3454 O=Cc1ccc(o1)COCCCCCl 34a_100000210776_200000079136 [0,2,0,0,0,0|2,0,0]=4 12660 B14R1.3454 O=Cc1ccc(o1)COCCCCCl 7a_100000210776_200000079136 [0,2,0,0,0,0|2,0,0]=4 12661 B14R1.3454 O=Cc1ccc(o1)COCCCCF 34a_100011995726_200000079136 [0,2,0,0,0,0|2,0,0]=4 12662 B14R1.3454 O=Cc1ccc(o1)COCCCCF 7a_100011995726_200000079136 [0,2,0,0,0,0|2,0,0]=4 12663 B14R1.3454 O=Cc1ccc(o1)COCCCCI 34a_200012148704_200000079136 [0,2,0,0,0,0|2,0,0]=4 12664 B14R1.3454 O=Cc1ccc(o1)CSCCCCF 62a_100000729493_200000079136 [0,2,0,0,0,0|2,0,0]=4 12665 B14R1.3454 O=Cc1ccc(o1)CSCCCCO 62a_100000210776_200000079136 [0,2,0,0,0,0|2,0,0]=4 12666 B14R1.3454 O=Cc1ccc(o1)SCCCCCF 62a_100000729378_100000186757 [0,2,0,0,0,0|2,0,0]=4 12667 B14R1.3454 O=Cc1ccc(o1)SCCCCCO 62a_100000746330_100000186757 [0,2,0,0,0,0|2,0,0]=4 12668 B14R1.3454 OCCCCCSc1ccc(o1)CO 62a_100000246276_100000746330 [0,2,0,0,0,0|2,0,0]=4 12669 B14R1.3454 OCCCCCSc1ccc(o1)CO 62a_100000746330_100000246276 [0,2,0,0,0,0|2,0,0]=4 12670 B14R1.3454 OCCCCNCc1ccc(o1)CO 207a_100000750430_100000758743 [0,2,0,0,0,0|2,0,0]=4 12671 B14R1.3454 OCCCCNCc1ccc(o1)CO 270004a_100000750430_100000758743 [0,2,0,0,0,0|2,0,0]=4 12672 B14R1.3454 OCc1ccc(o1)SCCCCCF 62a_100000246276_100000729378 [0,2,0,0,0,0|2,0,0]=4 12673 B14R1.3454 OCc1ccc(o1)SCCCCCF 62a_100000729378_100000246276 [0,2,0,0,0,0|2,0,0]=4 12674 B14R1.39 CCC(NCCCCF)c1ccco1 2230a_100015202707_100000729493 [0,2,0,0,0,0|2,0,0]=4 12675 B14R1.39 CCC(NCCCCO)c1ccco1 2230a_100015202707_100000210776 [0,2,0,0,0,0|2,0,0]=4 12676 B14R1.39 CCC(NCCCCO)c1ccco1 269862a_100000750430_100000749595 [0,2,0,0,0,0|2,0,0]=4 12677 B14R1.39 CCC(NCCCOC)c1ccco1 2230a_100015202707_100000740836 [0,2,0,0,0,0|2,0,0]=4 12678 B14R1.39 CCC(NCCCOC)c1ccco1 269862a_100150723488_100000749595 [0,2,0,0,0,0|2,0,0]=4 12679 B14R1.39 CCC(NCCCSC)c1ccco1 269862a_100000749238_100000749595 [0,2,0,0,0,0|2,0,0]=4 12680 B14R1.39 CCCCCCC(NC)c1cccs1 269862a_106832991636_200011217069 [0,2,0,0,0,0|0,1,0]=3 12681 B14R1.39 CCCCCNC(CC)c1ccc[nH]1 269862a_100000209983_200000242565 [0,2,0,0,0,0|2,0,0]=4 12682 B14R1.39 CCCCCNC(CC)c1ccco1 2230a_100015202707_100000210326 [0,2,0,0,0,0|1,0,0]=3 12683 B14R1.39 CCCCCNC(CC)c1ccco1 269862a_100000209983_100000749595 [0,2,0,0,0,0|1,0,0]=3 12684 B14R1.39 CCCCCNC(CC)c1cccs1 2230a_100000743277_100000210326 [0,2,0,0,0,0|1,1,0]=4 12685 B14R1.39 CCCCCNC(CC)c1cccs1 269862a_100000209983_100000211688 [0,2,0,0,0,0|1,1,0]=4 12686 B14R1.39 CCCCCNC(CO)c1cccs1 2230a_100102422791_100000210326 [0,2,0,0,0,0|1,1,0]=4 12687 B14R1.39 CCCCCOC(CN)c1ccco1 34a_100000738650_100000718602 [0,2,0,0,0,0|1,0,0]=3 12688 B14R1.39 CCOCCNC(CC)c1ccco1 2230a_100015202707_100011215890 [0,2,0,0,0,0|2,0,0]=4 12689 B14R1.39 CCOCCNC(CC)c1ccco1 269862a_100011200944_100000749595 [0,2,0,0,0,0|2,0,0]=4 12690 B14R1.39 CCOCCOC(CN)c1ccco1 34a_100000738650_100000210147 [0,2,0,0,0,0|2,0,0]=4 12691 B14R1.39 CCSCCNC(CC)c1ccco1 2230a_100015202707_100000757381 [0,2,0,0,0,0|2,0,0]=4 12692 B14R1.39 CCSCCNC(CC)c1ccco1 269862a_100000106463_100000749595 [0,2,0,0,0,0|2,0,0]=4 12693 B14R1.39 CCSCCOC(CN)c1ccco1 34a_100000738650_100000757381 [0,2,0,0,0,0|2,0,0]=4 12694 B14R1.39 COCCCOC(CN)c1ccco1 34a_100000738650_100000740836 [0,2,0,0,0,0|2,0,0]=4 12695 B14R1.39 NCC(OCCCCF)c1ccco1 34a_100000738650_100000729493 [0,2,0,0,0,0|2,0,0]=4 12696 B14R1.39 NCC(OCCCCO)c1ccco1 34a_100000738650_100011216708 [0,2,0,0,0,0|2,0,0]=4 12697 B14R1.100 CC(CCO)NCC(O)c1ccco1 2230a_100000738650_100009893172 [0,2,0,0,0,0|2,0,0]=4 12698 B14R1.100 CCCC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000747444 [0,2,0,0,0,0|1,0,1]=4 12699 B14R1.100 CCCC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747444 [0,2,0,0,0,0|1,0,1]=4 12700 B14R1.100 CCCC(=O)NCC(O)c1ccco1 527a_100000738650_100000211992 [0,2,0,0,0,0|1,0,1]=4 12701 B14R1.100 CCCC(C)CNC(C)c1cccs1 2230a_100000703493_100011216630 [0,2,0,0,0,0|1,1,0]=4 12702 B14R1.100 CCCC(C)CNC(C)c1cccs1 270004a_100000703493_100000243154 [0,2,0,0,0,0|1,1,0]=4 12703 B14R1.100 CCCC(C)CN[C@H](C)c1ccco1 2230a_100160469435_100011216630 [0,2,0,0,0,0|1,0,0]=3 12704 B14R1.100 CCCC(C)CN[C@H](C)c1ccco1 270004a_100160469435_100000243154 [0,2,0,0,0,0|1,0,0]=3 12705 B14R1.100 CCCC(C)CO[C@@H](C)c1ccco1 34a_100000755270_100011216630 [0,2,0,0,0,0|1,0,0]=3 12706 B14R1.100 CCCC(C)CO[C@@H](C)c1ccco1 7a_100000755270_100011216630 [0,2,0,0,0,0|1,0,0]=3 12707 B14R1.100 CCCC(C)CO[C@H](C)c1cccs1 7a_100000750433_100011216630 [0,2,0,0,0,0|1,1,0]=4 12708 B14R1.100 CCCC(C)NCC(O)c1ccco1 2230a_100000738650_100000766640 [0,2,0,0,0,0|1,0,0]=3 12709 B14R1.100 CCCC(C)NCC(O)c1ccco1 270004a_100000738650_100000211909 [0,2,0,0,0,0|1,0,0]=3 12710 B14R1.100 CCCC(C)OCC(=O)c1ccco1 7a_100000764384_100000211439 [0,2,0,0,0,0|1,0,1]=4 12711 B14R1.100 CCCC(C)OCC(N)c1cccs1 34a_100102422791_100000766640 [0,2,0,0,0,0|1,1,0]=4 12712 B14R1.100 CCCC(C)SCC(=O)c1ccco1 62a_100000211439_100000766640 [0,2,0,0,0,0|1,0,1]=4 12713 B14R1.100 CCCC(C)SCC(=O)c1ccco1 62a_100000766640_100000211439 [0,2,0,0,0,0|1,0,1]=4 12714 B14R1.100 CCCN(C)CC[C@H](O)c1cccs1 2230a_100016247842_100000210303 [0,2,0,0,0,0|1,1,0]=4 12715 B14R1.100 COCC(C)NCC(O)c1ccco1 2230a_100000738650_100000765312 [0,2,0,0,0,0|2,0,0]=4 12716 B14R1.100 COCC(C)NCC(O)c1ccco1 270004a_100000738650_100000749346 [0,2,0,0,0,0|2,0,0]=4 12717 B14R1.100 COCC(O)CO[C@@H](C)c1ccco1 34a_100000755270_100011215053 [0,2,0,0,0,0|2,0,0]=4 12718 B14R1.100 COCC(O)CO[C@@H](C)c1ccco1 7a_100000755270_100011215053 [0,2,0,0,0,0|2,0,0]=4 12719 B14R1.100 CSCC(C)NCC(O)c1ccco1 270004a_100000738650_100011216314 [0,2,0,0,0,0|2,0,0]=4 12720 B14R1.107 CC(c1ccco1)N(C)CCCCF 2230a_100000232712_100000729493 [0,2,0,0,0,0|2,0,0]=4 12721 B14R1.107 CC(c1ccco1)N(C)CCCCF 269982a_100000232712_100000729493 [0,2,0,0,0,0|2,0,0]=4 12722 B14R1.107 CC(c1ccco1)N(C)CCCCO 2230a_100000232712_100000210776 [0,2,0,0,0,0|2,0,0]=4 12723 B14R1.107 CC(c1ccco1)N(C)CCCCO 269982a_100000232712_100000210776 [0,2,0,0,0,0|2,0,0]=4 12724 B14R1.107 CCCCCN(C)C(C)c1ccco1 2230a_100000232712_100000210326 [0,2,0,0,0,0|1,0,0]=3 12725 B14R1.107 CCCCCN(C)C(C)c1ccco1 269982a_100000232712_100000210215 [0,2,0,0,0,0|1,0,0]=3 12726 B14R1.107 CCCCCN(C)C(C)c1cccs1 2230a_100000186410_100000210326 [0,2,0,0,0,0|1,1,0]=4 12727 B14R1.107 CCCCCN(C)C(C)c1cccs1 269982a_100000186410_100000210215 [0,2,0,0,0,0|1,1,0]=4 12728 B14R1.107 CCOCCN(C)C(C)c1ccco1 2230a_100000232712_100011215890 [0,2,0,0,0,0|2,0,0]=4 12729 B14R1.107 CCOCCN(C)C(C)c1ccco1 269982a_100000232712_100011215890 [0,2,0,0,0,0|2,0,0]=4 12730 B14R1.107 CCSCCN(C)C(C)c1ccco1 2230a_100000232712_100000757381 [0,2,0,0,0,0|2,0,0]=4 12731 B14R1.107 CCSCCN(C)C(C)c1ccco1 269982a_100000232712_100000757381 [0,2,0,0,0,0|2,0,0]=4 12732 B14R1.107 COCCCN(C)C(C)c1ccco1 2230a_100000232712_100000740836 [0,2,0,0,0,0|2,0,0]=4 12733 B14R1.107 COCCCN(C)C(C)c1ccco1 269982a_100000232712_100000740836 [0,2,0,0,0,0|2,0,0]=4 12734 B14R1.137 CCCCC(=O)CC(=O)c1ccco1 1458a_100000210183_100000211439 [0,2,0,0,0,0|0,0,2]=4 12735 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 11a_100160469435_100000210183 [0,2,0,0,0,0|1,0,1]=4 12736 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100000210183 [0,2,0,0,0,0|1,0,1]=4 12737 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000210183 [0,2,0,0,0,0|1,0,1]=4 12738 B14R1.137 CCCCC(=O)N[C@H](C)c1ccco1 527a_100160469435_100000210183 [0,2,0,0,0,0|1,0,1]=4 12739 B14R1.137 CCCCC(C)NC(C)c1ccc[nH]1 269862a_100000126638_100000183661 [0,2,0,0,0,0|2,0,0]=4 12740 B14R1.137 CCCCC(C)NC(C)c1cccs1 2230a_100000703493_200011215066 [0,2,0,0,0,0|1,1,0]=4 12741 B14R1.137 CCCCC(C)NC(C)c1cccs1 269862a_100000126638_100000185736 [0,2,0,0,0,0|1,1,0]=4 12742 B14R1.137 CCCCC(C)NC(C)c1cccs1 270004a_100000703493_100000210087 [0,2,0,0,0,0|1,1,0]=4 12743 B14R1.137 CCCCC(C)N[C@H](C)c1ccco1 2230a_100160469435_200011215066 [0,2,0,0,0,0|1,0,0]=3 12744 B14R1.137 CCCCC(C)N[C@H](C)c1ccco1 270004a_100160469435_100000210087 [0,2,0,0,0,0|1,0,0]=3 12745 B14R1.137 CCCCC(C)O[C@@H](C)c1ccco1 34a_100000755270_200011215066 [0,2,0,0,0,0|1,0,0]=3 12746 B14R1.137 CCCCC(C)O[C@@H](C)c1ccco1 7a_100000755270_200011215066 [0,2,0,0,0,0|1,0,0]=3 12747 B14R1.137 CCCCC(C)O[C@H](C)c1cccs1 7a_100000750433_200011215066 [0,2,0,0,0,0|1,1,0]=4 12748 B14R1.137 CCCCN(C)CC(=O)c1ccco1 269982a_100000207549_100000211439 [0,2,0,0,0,0|1,0,1]=4 12749 B14R1.137 CCSCC(C)N[C@H](C)c1ccco1 270004a_100160469435_200011216171 [0,2,0,0,0,0|2,0,0]=4 12750 B14R1.137 COCCC(C)N[C@H](C)c1ccco1 270004a_100160469435_100000742357 [0,2,0,0,0,0|2,0,0]=4 12751 B14R1.137 CSCCC(C)N[C@H](C)c1ccco1 270004a_100160469435_100011217047 [0,2,0,0,0,0|2,0,0]=4 12752 B14R1.169 C#CCCCCN[C@H](C)c1ccco1 2230a_100160469435_100010269958 [0,2,0,0,0,0|0,0,2]=4 12753 B14R1.169 C#CCCCCO[C@@H](C)c1ccco1 34a_100000755270_100010269958 [0,2,0,0,0,0|0,0,2]=4 12754 B14R1.169 C#CCCCCO[C@@H](C)c1ccco1 7a_100000755270_100010269958 [0,2,0,0,0,0|0,0,2]=4 12755 B14R1.169 C#CCCCNCC(O)c1ccco1 2230a_100000738650_100000731252 [0,2,0,0,0,0|0,0,2]=4 12756 B14R1.169 C=CCCCCN[C@H](C)c1ccco1 2230a_100160469435_100011215482 [0,2,0,0,0,0|0,0,2]=4 12757 B14R1.169 C=CCCCCO[C@@H](C)c1ccco1 34a_100000755270_100011215482 [0,2,0,0,0,0|0,0,2]=4 12758 B14R1.169 C=CCCCCO[C@@H](C)c1ccco1 7a_100000755270_100011215482 [0,2,0,0,0,0|0,0,2]=4 12759 B14R1.169 C=CCCCNCC(O)c1ccco1 2230a_100000738650_100011713584 [0,2,0,0,0,0|0,0,2]=4 12760 B14R1.169 CC(NCCCCCF)c1cccs1 2230a_100000703493_100000729378 [0,2,0,0,0,0|1,1,0]=4 12761 B14R1.169 CC(NCCCCCO)c1ccc[nH]1 269862a_100000762737_100000183661 [0,2,0,0,0,0|2,0,0]=4 12762 B14R1.169 CC(NCCCCCO)c1cccs1 2230a_100000703493_100000746330 [0,2,0,0,0,0|1,1,0]=4 12763 B14R1.169 CC(NCCCCCO)c1cccs1 269862a_100000762737_100000185736 [0,2,0,0,0,0|1,1,0]=4 12764 B14R1.169 CC/C=C\CCN[C@H](C)c1ccco1 2230a_100160469435_100015370543 [0,2,0,0,0,0|0,0,2]=4 12765 B14R1.169 CC/C=C\CCO[C@@H](C)c1ccco1 34a_100000755270_100015370543 [0,2,0,0,0,0|0,0,2]=4 12766 B14R1.169 CC/C=C\CCO[C@@H](C)c1ccco1 7a_100000755270_100015370543 [0,2,0,0,0,0|0,0,2]=4 12767 B14R1.169 CC/C=C\CNCC(O)c1ccco1 2230a_100000738650_100103147603 [0,2,0,0,0,0|0,0,2]=4 12768 B14R1.169 CCC#CCNCC(O)c1ccco1 2230a_100000738650_100009813939 [0,2,0,0,0,0|0,0,2]=4 12769 B14R1.169 CCCCCCNC(C)c1cc[nH]c1 269862a_100000210581_100000753940 [0,2,0,0,0,0|2,0,0]=4 12770 B14R1.169 CCCCCCNC(C)c1ccc[nH]1 269862a_100000210581_100000183661 [0,2,0,0,0,0|1,0,0]=3 12771 B14R1.169 CCCCCCNC(C)c1cccs1 2230a_100000703493_100000210314 [0,2,0,0,0,0|0,1,0]=3 12772 B14R1.169 CCCCCCNC(C)c1cccs1 269862a_100000210581_100000185736 [0,2,0,0,0,0|0,1,0]=3 12773 B14R1.169 CCCCCCNC(C)c1ccn[nH]1 269862a_100000210581_100000747476 [0,2,0,0,0,0|2,0,0]=4 12774 B14R1.169 CCCCCCNC(C)c1ccoc1 2230a_100000690049_100000210314 [0,2,0,0,0,0|2,0,0]=4 12775 B14R1.169 CCCCCCNC(C)c1ccsc1 2230a_100000748604_100000210314 [0,2,0,0,0,0|2,0,0]=4 12776 B14R1.169 CCCCCCNC(C)c1ccsc1 269862a_100000210581_100000747891 [0,2,0,0,0,0|2,0,0]=4 12777 B14R1.169 CCCCCCNC(C)c1cscn1 269862a_100000210581_100000693406 [0,2,0,0,0,0|2,0,0]=4 12778 B14R1.169 CCCCCCNC(C)c1ncc[nH]1 269862a_100000210581_100000718901 [0,2,0,0,0,0|2,0,0]=4 12779 B14R1.169 CCCCCCNC(C)c1nccs1 2230a_100000725601_100000210314 [0,2,0,0,0,0|1,1,0]=4 12780 B14R1.169 CCCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000210314 [0,2,0,0,0,0|0,0,0]=2 12781 B14R1.169 CCCCCCOC(C)c1ccsc1 34a_100011350980_100000210314 [0,2,0,0,0,0|2,0,0]=4 12782 B14R1.169 CCCCCCOC(C)c1ccsc1 7a_100011350980_100000210314 [0,2,0,0,0,0|2,0,0]=4 12783 B14R1.169 CCCCCCOC(C)c1nccs1 7a_100000751044_100000210314 [0,2,0,0,0,0|1,1,0]=4 12784 B14R1.169 CCCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210314 [0,2,0,0,0,0|0,0,0]=2 12785 B14R1.169 CCCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210314 [0,2,0,0,0,0|0,0,0]=2 12786 B14R1.169 CCCCCCO[C@H](C)c1cccs1 7a_100000750433_100000210314 [0,2,0,0,0,0|0,1,0]=3 12787 B14R1.169 CCCCCNCC(=O)c1cccs1 2230a_100000209983_100000211436 [0,2,0,0,0,0|0,1,1]=4 12788 B14R1.169 CCCCCNCC(O)c1ccco1 2230a_100000738650_100000210326 [0,2,0,0,0,0|0,0,0]=2 12789 B14R1.169 CCCCCNCC(O)c1ccsc1 2230a_100000758718_100000210326 [0,2,0,0,0,0|2,0,0]=4 12790 B14R1.169 CCCCCNCC(O)c1ccsc1 34a_100000758718_100000718602 [0,2,0,0,0,0|2,0,0]=4 12791 B14R1.169 CCCCCNN=C(C)c1ccco1 4a_100000694160_100000210965 [0,2,0,0,0,0|1,0,1]=4 12792 B14R1.169 CCCCCOCC(=O)c1ccc[nH]1 7a_100000210253_200011262396 [0,2,0,0,0,0|1,0,1]=4 12793 B14R1.169 CCCCCOCC(=O)c1ccco1 7a_100000210253_100000211439 [0,2,0,0,0,0|0,0,1]=3 12794 B14R1.169 CCCCCOCC(=O)c1cccs1 7a_100000210253_100000211436 [0,2,0,0,0,0|0,1,1]=4 12795 B14R1.169 CCCCCOCC(C)n1cccn1 34a_100011935049_100000718602 [0,2,0,0,0,0|2,0,0]=4 12796 B14R1.169 CCCCCOCC(N)c1cccs1 34a_100102422791_100000718602 [0,2,0,0,0,0|0,1,0]=3 12797 B14R1.169 CCCCCSCC(=O)c1ccc[nH]1 62a_100000210326_200011262396 [0,2,0,0,0,0|1,0,1]=4 12798 B14R1.169 CCCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210326 [0,2,0,0,0,0|1,0,1]=4 12799 B14R1.169 CCCCCSCC(=O)c1ccco1 62a_100000210326_100000211439 [0,2,0,0,0,0|0,0,1]=3 12800 B14R1.169 CCCCCSCC(=O)c1ccco1 62a_100000211439_100000210326 [0,2,0,0,0,0|0,0,1]=3 12801 B14R1.169 CCCCCSCC(=O)c1cccs1 62a_100000210326_100000211436 [0,2,0,0,0,0|0,1,1]=4 12802 B14R1.169 CCCCCSCC(=O)c1cccs1 62a_100000211436_100000210326 [0,2,0,0,0,0|0,1,1]=4 12803 B14R1.169 CCCCNCCC(=O)c1cccs1 2230a_100000102301_100011290775 [0,2,0,0,0,0|0,1,1]=4 12804 B14R1.169 CCCCNCCC(=O)c1cccs1 7a_106832991798_100011290775 [0,2,0,0,0,0|0,1,1]=4 12805 B14R1.169 CCCCOCCC(=O)c1cccs1 7a_100000210227_100011290775 [0,2,0,0,0,0|0,1,1]=4 12806 B14R1.169 CCCCOCCC(C)n1cccn1 34a_100000090012_100000210210 [0,2,0,0,0,0|2,0,0]=4 12807 B14R1.169 CCCCOCCC(C)n1cccn1 7a_100000090012_100000210211 [0,2,0,0,0,0|2,0,0]=4 12808 B14R1.169 CCCCOCNC(C)c1cccs1 2230a_100000703493_100011995733 [0,2,0,0,0,0|1,1,0]=4 12809 B14R1.169 CCCCOCN[C@H](C)c1ccco1 2230a_100160469435_100011995733 [0,2,0,0,0,0|1,0,0]=3 12810 B14R1.169 CCCCOCO[C@@H](C)c1ccco1 34a_100000755270_100011995733 [0,2,0,0,0,0|1,0,0]=3 12811 B14R1.169 CCCCSCCC(=O)c1cccs1 62a_100000210211_100011290775 [0,2,0,0,0,0|0,1,1]=4 12812 B14R1.169 CCCCSCCC(=O)c1cccs1 62a_100011290775_100000210210 [0,2,0,0,0,0|0,1,1]=4 12813 B14R1.169 CCCOCCNC(C)c1ccc[nH]1 269862a_100161115042_100000183661 [0,2,0,0,0,0|2,0,0]=4 12814 B14R1.169 CCCOCCNC(C)c1cccs1 2230a_100000703493_100011215938 [0,2,0,0,0,0|1,1,0]=4 12815 B14R1.169 CCCOCCNC(C)c1cccs1 269862a_100161115042_100000185736 [0,2,0,0,0,0|1,1,0]=4 12816 B14R1.169 CCCOCCN[C@H](C)c1ccco1 2230a_100160469435_100011215938 [0,2,0,0,0,0|1,0,0]=3 12817 B14R1.169 CCCOCCO[C@@H](C)c1ccco1 34a_100000755270_100011215938 [0,2,0,0,0,0|1,0,0]=3 12818 B14R1.169 CCCOCCO[C@@H](C)c1ccco1 7a_100000755270_100011215938 [0,2,0,0,0,0|1,0,0]=3 12819 B14R1.169 CCCOCCO[C@H](C)c1cccs1 7a_100000750433_100011215938 [0,2,0,0,0,0|1,1,0]=4 12820 B14R1.169 CCCSCCNC(C)c1ccc[nH]1 269862a_100020603323_100000183661 [0,2,0,0,0,0|2,0,0]=4 12821 B14R1.169 CCCSCCNC(C)c1cccs1 269862a_100020603323_100000185736 [0,2,0,0,0,0|1,1,0]=4 12822 B14R1.169 CCNCCCNC(=O)c1ccco1 34a_100025751042_100000210202 [0,2,0,0,0,0|1,0,1]=4 12823 B14R1.169 CCOCCCNC(C)c1ccc[nH]1 269862a_100000210961_100000183661 [0,2,0,0,0,0|2,0,0]=4 12824 B14R1.169 CCOCCCNC(C)c1cccs1 2230a_100000703493_100012232248 [0,2,0,0,0,0|1,1,0]=4 12825 B14R1.169 CCOCCCNC(C)c1cccs1 269862a_100000210961_100000185736 [0,2,0,0,0,0|1,1,0]=4 12826 B14R1.169 CCOCCCN[C@H](C)c1ccco1 2230a_100160469435_100012232248 [0,2,0,0,0,0|1,0,0]=3 12827 B14R1.169 CCOCCCO[C@@H](C)c1ccco1 34a_100000755270_100012232248 [0,2,0,0,0,0|1,0,0]=3 12828 B14R1.169 CCOCCCO[C@@H](C)c1ccco1 7a_100000755270_100012232248 [0,2,0,0,0,0|1,0,0]=3 12829 B14R1.169 CCOCCCO[C@H](C)c1cccs1 7a_100000750433_100012232248 [0,2,0,0,0,0|1,1,0]=4 12830 B14R1.169 CCOCCNCC(O)c1ccco1 2230a_100000738650_100011215890 [0,2,0,0,0,0|1,0,0]=3 12831 B14R1.169 CCOCCOCC(=O)c1ccco1 7a_100000210136_100000211439 [0,2,0,0,0,0|1,0,1]=4 12832 B14R1.169 CCOCCOCC(N)c1cccs1 34a_100102422791_100000210147 [0,2,0,0,0,0|1,1,0]=4 12833 B14R1.169 CCOCCSCC(=O)c1ccco1 62a_100000210147_100000211439 [0,2,0,0,0,0|1,0,1]=4 12834 B14R1.169 CCOCCSCC(=O)c1ccco1 62a_100000211439_100011215890 [0,2,0,0,0,0|1,0,1]=4 12835 B14R1.169 CCSCCNCC(O)c1ccco1 2230a_100000738650_100000757381 [0,2,0,0,0,0|1,0,0]=3 12836 B14R1.169 CCSCCOCC(=O)c1ccco1 7a_100000212035_100000211439 [0,2,0,0,0,0|1,0,1]=4 12837 B14R1.169 CCSCCOCC(N)c1cccs1 34a_100102422791_100000757381 [0,2,0,0,0,0|1,1,0]=4 12838 B14R1.169 CCSCCSCC(=O)c1ccco1 62a_100000211439_100000757381 [0,2,0,0,0,0|1,0,1]=4 12839 B14R1.169 CCSCCSCC(=O)c1ccco1 62a_100000757381_100000211439 [0,2,0,0,0,0|1,0,1]=4 12840 B14R1.169 COCCCCNC(C)c1cccs1 2230a_100000703493_100000730899 [0,2,0,0,0,0|1,1,0]=4 12841 B14R1.169 COCCCCN[C@H](C)c1ccco1 2230a_100160469435_100000730899 [0,2,0,0,0,0|1,0,0]=3 12842 B14R1.169 COCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000755781 [0,2,0,0,0,0|1,0,0]=3 12843 B14R1.169 COCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000730899 [0,2,0,0,0,0|1,0,0]=3 12844 B14R1.169 COCCCCO[C@H](C)c1cccs1 7a_100000750433_100000730899 [0,2,0,0,0,0|1,1,0]=4 12845 B14R1.169 COCCCNCC(O)c1ccco1 2230a_100000738650_100000740836 [0,2,0,0,0,0|1,0,0]=3 12846 B14R1.169 COCCCOCC(N)c1cccs1 34a_100102422791_100000740836 [0,2,0,0,0,0|1,1,0]=4 12847 B14R1.169 COCCCSCC(=O)c1ccco1 62a_100000211439_100000709357 [0,2,0,0,0,0|1,0,1]=4 12848 B14R1.169 COCCCSCC(=O)c1ccco1 62a_100000709357_100000211439 [0,2,0,0,0,0|1,0,1]=4 12849 B14R1.169 COCCOCN[C@H](C)c1ccco1 2230a_100160469435_100000231047 [0,2,0,0,0,0|2,0,0]=4 12850 B14R1.169 CSCCCOCC(=O)c1ccco1 7a_100000690336_100000211439 [0,2,0,0,0,0|1,0,1]=4 12851 B14R1.169 C[C@@H](NCCCCC#N)c1ccco1 2230a_100160469435_100000211819 [0,2,0,0,0,0|1,0,1]=4 12852 B14R1.169 C[C@@H](NCCCCC=O)c1ccco1 2230a_100160469435_100000139335 [0,2,0,0,0,0|1,0,1]=4 12853 B14R1.169 C[C@@H](NCCCCCF)c1ccco1 2230a_100160469435_100000729378 [0,2,0,0,0,0|1,0,0]=3 12854 B14R1.169 C[C@@H](NCCCCCO)c1ccco1 2230a_100160469435_100000746330 [0,2,0,0,0,0|1,0,0]=3 12855 B14R1.169 C[C@@H](NCCOCCO)c1ccco1 2230a_100160469435_100011215305 [0,2,0,0,0,0|2,0,0]=4 12856 B14R1.169 C[C@@H](OCCCCCF)c1cccs1 7a_100000750433_100000729378 [0,2,0,0,0,0|1,1,0]=4 12857 B14R1.169 C[C@@H](OCCCCCO)c1cccs1 7a_100000750433_100000746330 [0,2,0,0,0,0|1,1,0]=4 12858 B14R1.169 C[C@H](OCCCCC#N)c1ccco1 7a_100000755270_100000211819 [0,2,0,0,0,0|1,0,1]=4 12859 B14R1.169 C[C@H](OCCCCC=O)c1ccco1 7a_100000755270_100000139335 [0,2,0,0,0,0|1,0,1]=4 12860 B14R1.169 C[C@H](OCCCCCF)c1ccco1 34a_100000755270_100000729378 [0,2,0,0,0,0|1,0,0]=3 12861 B14R1.169 C[C@H](OCCCCCF)c1ccco1 7a_100000755270_100000729378 [0,2,0,0,0,0|1,0,0]=3 12862 B14R1.169 C[C@H](OCCCCCO)c1ccco1 34a_100000755270_100000746330 [0,2,0,0,0,0|1,0,0]=3 12863 B14R1.169 C[C@H](OCCCCCO)c1ccco1 7a_100000755270_100000746330 [0,2,0,0,0,0|1,0,0]=3 12864 B14R1.169 C[C@H](OCCOCCO)c1ccco1 34a_100000755270_100000692535 [0,2,0,0,0,0|2,0,0]=4 12865 B14R1.169 C[C@H](OCCOCCO)c1ccco1 7a_100000755270_100011215305 [0,2,0,0,0,0|2,0,0]=4 12866 B14R1.169 N#CCCCNCC(O)c1ccco1 2230a_100000738650_100000687738 [0,2,0,0,0,0|1,0,1]=4 12867 B14R1.169 NC(COCCCCF)c1cccs1 34a_100102422791_100000729493 [0,2,0,0,0,0|1,1,0]=4 12868 B14R1.169 NC(COCCCCO)c1cccs1 34a_100102422791_100011216708 [0,2,0,0,0,0|1,1,0]=4 12869 B14R1.169 O=C(COCCCCCl)c1ccco1 7a_100000210776_100000211439 [0,2,0,0,0,0|1,0,1]=4 12870 B14R1.169 O=C(COCCCCF)c1ccco1 7a_100011995726_100000211439 [0,2,0,0,0,0|1,0,1]=4 12871 B14R1.169 O=C(CSCCCCF)c1ccco1 62a_100000211439_100000729493 [0,2,0,0,0,0|1,0,1]=4 12872 B14R1.169 O=C(CSCCCCF)c1ccco1 62a_100000729493_100000211439 [0,2,0,0,0,0|1,0,1]=4 12873 B14R1.169 O=C(CSCCCCO)c1ccco1 62a_100000210776_100000211439 [0,2,0,0,0,0|1,0,1]=4 12874 B14R1.169 O=C(CSCCCCO)c1ccco1 62a_100000211439_100000210776 [0,2,0,0,0,0|1,0,1]=4 12875 B14R1.169 O=CCCCNCC(O)c1ccco1 2230a_100000738650_200011292268 [0,2,0,0,0,0|1,0,1]=4 12876 B14R1.169 OC(CNCCCCF)c1ccco1 2230a_100000738650_100000729493 [0,2,0,0,0,0|1,0,0]=3 12877 B14R1.169 OCCCCNCC(O)c1ccco1 2230a_100000738650_100000210776 [0,2,0,0,0,0|1,0,0]=3 12878 B14R1.418 C=C(C)CCNCC(O)c1ccco1 2230a_100000738650_100000730704 [0,2,0,0,0,0|1,0,1]=4 12879 B14R1.418 CC(=O)CCCO[C@@H](C)c1ccco1 34a_100000755270_100000685027 [0,2,0,0,0,0|1,0,1]=4 12880 B14R1.418 CC(=O)CCCO[C@@H](C)c1ccco1 7a_100000755270_100011215641 [0,2,0,0,0,0|1,0,1]=4 12881 B14R1.418 CC(C)CCCNC(C)c1ccc[nH]1 269862a_200000737386_100000183661 [0,2,0,0,0,0|2,0,0]=4 12882 B14R1.418 CC(C)CCCNC(C)c1cccs1 2230a_100000703493_100011214892 [0,2,0,0,0,0|1,1,0]=4 12883 B14R1.418 CC(C)CCCNC(C)c1cccs1 269862a_200000737386_100000185736 [0,2,0,0,0,0|1,1,0]=4 12884 B14R1.418 CC(C)CCCN[C@H](C)c1ccco1 2230a_100160469435_100011214892 [0,2,0,0,0,0|1,0,0]=3 12885 B14R1.418 CC(C)CCCO[C@@H](C)c1ccco1 34a_100000755270_100011214892 [0,2,0,0,0,0|1,0,0]=3 12886 B14R1.418 CC(C)CCCO[C@@H](C)c1ccco1 7a_100000755270_100011214892 [0,2,0,0,0,0|1,0,0]=3 12887 B14R1.418 CC(C)CCCO[C@H](C)c1cccs1 7a_100000750433_100011214892 [0,2,0,0,0,0|1,1,0]=4 12888 B14R1.418 CC(C)CCNCC(O)c1ccco1 2230a_100000738650_100000210312 [0,2,0,0,0,0|1,0,0]=3 12889 B14R1.418 CC(C)CCNCC(O)c1ccco1 269862a_100000738650_100000185833 [0,2,0,0,0,0|1,0,0]=3 12890 B14R1.418 CC(C)CCOCC(=O)c1ccco1 7a_100000210254_100000211439 [0,2,0,0,0,0|1,0,1]=4 12891 B14R1.418 CC(C)CCOCC(N)c1cccs1 34a_100102422791_100000210312 [0,2,0,0,0,0|1,1,0]=4 12892 B14R1.418 CC(C)CCSCC(=O)c1ccco1 62a_100000210312_100000211439 [0,2,0,0,0,0|1,0,1]=4 12893 B14R1.418 CC(C)CCSCC(=O)c1ccco1 62a_100000211439_100000210312 [0,2,0,0,0,0|1,0,1]=4 12894 B14R1.418 CC(C)OCCN[C@H](C)c1ccco1 2230a_100160469435_100000211751 [0,2,0,0,0,0|2,0,0]=4 12895 B14R1.418 CC(C)OCCO[C@@H](C)c1ccco1 34a_100000755270_100000211751 [0,2,0,0,0,0|2,0,0]=4 12896 B14R1.418 CC(C)OCCO[C@@H](C)c1ccco1 7a_100000755270_100000211751 [0,2,0,0,0,0|2,0,0]=4 12897 B14R1.418 CC(C)OCNCC(O)c1ccco1 2230a_100000738650_100000709892 [0,2,0,0,0,0|2,0,0]=4 12898 B14R1.418 CC(C)SCCN[C@H](C)c1ccco1 2230a_100160469435_100000730970 [0,2,0,0,0,0|2,0,0]=4 12899 B14R1.418 CC(C)SCCO[C@@H](C)c1ccco1 34a_100000755270_100000730970 [0,2,0,0,0,0|2,0,0]=4 12900 B14R1.418 CC(C)SCCO[C@@H](C)c1ccco1 7a_100000755270_100000730970 [0,2,0,0,0,0|2,0,0]=4 12901 B14R1.418 CC(O)CCCNC(C)c1cccs1 2230a_100000703493_200000718107 [0,2,0,0,0,0|1,1,0]=4 12902 B14R1.418 CC(O)CCCN[C@H](C)c1ccco1 2230a_100160469435_200000718107 [0,2,0,0,0,0|1,0,0]=3 12903 B14R1.418 CC(O)CCCO[C@@H](C)c1ccco1 34a_100000755270_200000718107 [0,2,0,0,0,0|1,0,0]=3 12904 B14R1.418 CC(O)CCCO[C@@H](C)c1ccco1 7a_100000755270_200000718107 [0,2,0,0,0,0|1,0,0]=3 12905 B14R1.418 CC(O)CCCO[C@H](C)c1cccs1 7a_100000750433_200000718107 [0,2,0,0,0,0|1,1,0]=4 12906 B14R1.418 CC(O)CCNCC(O)c1ccco1 2230a_100000738650_100012276601 [0,2,0,0,0,0|1,0,0]=3 12907 B14R1.418 CC(O)CCOCC(N)c1cccs1 34a_100102422791_100012276601 [0,2,0,0,0,0|1,1,0]=4 12908 B14R1.418 CC(O)CCSCC(=O)c1ccco1 62a_100000211439_100012276601 [0,2,0,0,0,0|1,0,1]=4 12909 B14R1.418 CC(O)CCSCC(=O)c1ccco1 62a_100012276601_100000211439 [0,2,0,0,0,0|1,0,1]=4 12910 B14R1.418 C[C@H](OCCCN(C)C)c1ccco1 7a_100000755270_100000757444 [0,2,0,0,0,0|2,0,0]=4 12911 B14R1.442 CCCCCNC(C)(C)c1cccs1 2230a_100000757009_100000210326 [0,2,0,0,0,0|1,1,0]=4 12912 B14R1.442 CCCCCNS(=O)(=O)c1ccco1 270084a_100000209983_200000702926 [0,2,0,0,0,0|2,0,0]=4 12913 B14R1.442 CCCCCNS(=O)(=O)c1ccco1 274078a_100000209983_200000702926 [0,2,0,0,0,0|2,0,0]=4 12914 B14R1.442 CCCCCOC(C)(C)c1cccs1 7a_100011410533_100000210326 [0,2,0,0,0,0|1,1,0]=4 12915 B14R1.729 CCC(C)CCNC(C)c1ccc[nH]1 269862a_100020591266_100000183661 [0,2,0,0,0,0|2,0,0]=4 12916 B14R1.729 CCC(C)CCNC(C)c1cccs1 269862a_100020591266_100000185736 [0,2,0,0,0,0|1,1,0]=4 12917 B14R1.729 CCC(C)CNCC(O)c1ccco1 2230a_100000738650_100000748023 [0,2,0,0,0,0|1,0,0]=3 12918 B14R1.729 CCC(C)CNCC(O)c1ccco1 270004a_100000738650_100000243153 [0,2,0,0,0,0|1,0,0]=3 12919 B14R1.729 CCC(C)COCC(N)c1cccs1 34a_100102422791_100000748023 [0,2,0,0,0,0|1,1,0]=4 12920 B14R1.729 CCC(C)CSCC(=O)c1ccco1 62a_100000211439_100000748023 [0,2,0,0,0,0|1,0,1]=4 12921 B14R1.729 CCC(C)CSCC(=O)c1ccco1 62a_100000748023_100000211439 [0,2,0,0,0,0|1,0,1]=4 12922 B14R1.729 CCC(O)CNCC(O)c1ccco1 2230a_100000738650_100011218378 [0,2,0,0,0,0|1,0,0]=3 12923 B14R1.729 CCC(O)COCC(N)c1cccs1 34a_100102422791_100011218378 [0,2,0,0,0,0|1,1,0]=4 12924 B14R1.729 CCC(O)CSCC(=O)c1ccco1 62a_100000211439_100011218378 [0,2,0,0,0,0|1,0,1]=4 12925 B14R1.729 CCC(O)CSCC(=O)c1ccco1 62a_100011218378_100000211439 [0,2,0,0,0,0|1,0,1]=4 12926 B14R1.729 CC[C@H](C)CNCC(O)c1ccco1 2230a_100000738650_100009816398 [0,2,0,0,0,0|1,0,0]=3 12927 B14R1.729 CC[C@H](C)COCC(=O)c1ccco1 7a_100009816381_100000211439 [0,2,0,0,0,0|1,0,1]=4 12928 B14R1.729 CC[C@H](C)COCC(N)c1cccs1 34a_100102422791_100009816398 [0,2,0,0,0,0|1,1,0]=4 12929 B14R1.729 CC[C@H](C)CSCC(=O)c1ccco1 62a_100000211439_100009816398 [0,2,0,0,0,0|1,0,1]=4 12930 B14R1.729 CC[C@H](C)CSCC(=O)c1ccco1 62a_100009816398_100000211439 [0,2,0,0,0,0|1,0,1]=4 12931 B14R1.729 C[C@@H](CO)CNCC(O)c1ccco1 2230a_100000738650_100000059175 [0,2,0,0,0,0|2,0,0]=4 12932 B14R1.729 OC(CNC[C@@H](O)CF)c1ccco1 2230a_100000738650_100015614560 [0,2,0,0,0,0|2,0,0]=4 12933 B14R1.729 OCC(O)CNCC(O)c1ccco1 2230a_100000738650_100011219619 [0,2,0,0,0,0|2,0,0]=4 12934 B14R1.729 OC[C@H](O)CNCC(O)c1ccco1 2230a_100000738650_100009815848 [0,2,0,0,0,0|2,0,0]=4 12935 B14R1.3360 CCCCCNC(C)c1cccn1C 269862a_100000209983_100000709046 [0,2,0,0,0,0|2,0,0]=4 12936 B14R1.3360 CCCCCNC(C)c1sccc1Br 269862a_100000209983_100000738688 [0,2,0,0,0,0|1,1,0]=4 12937 B14R1.40 BrCCCCCCOCc1c[nH]cn1 34a_100011215345_100000707719 [0,2,0,0,0,0|2,0,0]=4 12938 B14R1.40 BrCCCCCCOCc1ccn[nH]1 34a_100011215345_100000728653 [0,2,0,0,0,0|2,0,0]=4 12939 B14R1.40 BrCCCCCCOCc1ccn[nH]1 7a_100011215345_100000728653 [0,2,0,0,0,0|2,0,0]=4 12940 B14R1.40 BrCCCCCCOCc1ccon1 34a_100011215345_100000234950 [0,2,0,0,0,0|2,0,0]=4 12941 B14R1.40 BrCCCCCCOCc1ccon1 7a_100011215345_100000234950 [0,2,0,0,0,0|2,0,0]=4 12942 B14R1.40 BrCCCCCCOCc1ccsc1 34a_100011215345_100011261437 [0,2,0,0,0,0|2,0,0]=4 12943 B14R1.40 BrCCCCCCOCc1ccsc1 7a_100011215345_100011261437 [0,2,0,0,0,0|2,0,0]=4 12944 B14R1.40 BrCCCCCCOCc1cncs1 34a_100011215345_100015185245 [0,2,0,0,0,0|1,1,0]=4 12945 B14R1.40 BrCCCCCCOCc1cncs1 7a_100011215345_100015185245 [0,2,0,0,0,0|1,1,0]=4 12946 B14R1.40 BrCCCCCCOCc1cscn1 34a_100011215345_100000205941 [0,2,0,0,0,0|2,0,0]=4 12947 B14R1.40 BrCCCCCCOCc1cscn1 7a_100011215345_100000205941 [0,2,0,0,0,0|2,0,0]=4 12948 B14R1.40 BrCCCCCCOCc1ncc[nH]1 34a_100011215345_100016991755 [0,2,0,0,0,0|2,0,0]=4 12949 B14R1.40 BrCCCCCCOCc1ncc[nH]1 7a_100011215345_100000753453 [0,2,0,0,0,0|2,0,0]=4 12950 B14R1.40 BrCCCCCCOCc1ncco1 34a_100011215345_103436540062 [0,2,0,0,0,0|1,0,0]=3 12951 B14R1.40 BrCCCCCCOCc1ncco1 7a_100011215345_103436540062 [0,2,0,0,0,0|1,0,0]=3 12952 B14R1.40 BrCCCCCCOCc1nccs1 34a_100011215345_100015184050 [0,2,0,0,0,0|1,1,0]=4 12953 B14R1.40 BrCCCCCCOCc1nccs1 7a_100011215345_100015184050 [0,2,0,0,0,0|1,1,0]=4 12954 B14R1.40 BrCCCCCOCCc1c[nH]cn1 7a_100000746331_100020628418 [0,2,0,0,0,0|2,0,0]=4 12955 B14R1.40 BrCCCCCOCCc1cccs1 34a_100000746331_100000748579 [0,2,0,0,0,0|0,1,0]=3 12956 B14R1.40 BrCCCCCOCCc1cccs1 7a_100000746331_100000748579 [0,2,0,0,0,0|0,1,0]=3 12957 B14R1.40 BrCCCCCOCCn1cccc1 7a_100000746331_200000035178 [0,2,0,0,0,0|2,0,0]=4 12958 B14R1.40 BrCCCCCOCCn1cccn1 34a_100000746331_100015204718 [0,2,0,0,0,0|2,0,0]=4 12959 B14R1.40 BrCCCCCOCCn1cccn1 7a_100000746331_100000685285 [0,2,0,0,0,0|2,0,0]=4 12960 B14R1.40 BrCCCCOCCCc1cccs1 34a_100011216708_100010992444 [0,2,0,0,0,0|0,1,0]=3 12961 B14R1.40 BrCCCCOCCCn1cccc1 34a_100011216708_200009814367 [0,2,0,0,0,0|2,0,0]=4 12962 B14R1.40 BrCCOCCOCCc1cccs1 34a_100000692535_100000748579 [0,2,0,0,0,0|1,1,0]=4 12963 B14R1.40 BrCCOCCOCCc1cccs1 7a_100000692535_100000748579 [0,2,0,0,0,0|1,1,0]=4 12964 B14R1.40 C#CCCCCCCSc1ccco1 62a_100009814098_100012276617 [0,2,0,0,0,0|0,0,1]=3 12965 B14R1.40 C#CCCCCCCSc1ccco1 62a_100012276617_100009814098 [0,2,0,0,0,0|0,0,1]=3 12966 B14R1.40 C#CCCCCCCSc1cccs1 62a_100011215356_100012276617 [0,2,0,0,0,0|0,1,1]=4 12967 B14R1.40 C#CCCCCCCSc1cccs1 62a_100012276617_100011215356 [0,2,0,0,0,0|0,1,1]=4 12968 B14R1.40 C#CCCCCCCSc1cnco1 62a_100012276617_100020591547 [0,2,0,0,0,0|1,0,1]=4 12969 B14R1.40 C#CCCCCCCSc1cnco1 62a_100020591547_100012276617 [0,2,0,0,0,0|1,0,1]=4 12970 B14R1.40 C#CCCCCCCSc1ncco1 62a_100011787736_100012276617 [0,2,0,0,0,0|1,0,1]=4 12971 B14R1.40 C#CCCCCCCSc1ncco1 62a_100012276617_100011787736 [0,2,0,0,0,0|1,0,1]=4 12972 B14R1.40 C#CCCCCCNCc1ccco1 2230a_100000185738_100012094781 [0,2,0,0,0,0|0,0,1]=3 12973 B14R1.40 C#CCCCCCNCc1ccco1 34a_100000185738_100012094781 [0,2,0,0,0,0|0,0,1]=3 12974 B14R1.40 C#CCCCCCNCc1cccs1 2230a_100000211653_100012094781 [0,2,0,0,0,0|0,1,1]=4 12975 B14R1.40 C#CCCCCCNCc1ncco1 2230a_100016994969_100012094781 [0,2,0,0,0,0|1,0,1]=4 12976 B14R1.40 C#CCCCCCOCc1ccco1 34a_100000210059_100012094781 [0,2,0,0,0,0|0,0,1]=3 12977 B14R1.40 C#CCCCCCOCc1cccs1 34a_100000211240_100012094781 [0,2,0,0,0,0|0,1,1]=4 12978 B14R1.40 C#CCCCCCOCc1ccno1 34a_100000740478_100012094781 [0,2,0,0,0,0|1,0,1]=4 12979 B14R1.40 C#CCCCCCOCc1ncco1 34a_100000062594_100012094781 [0,2,0,0,0,0|1,0,1]=4 12980 B14R1.40 C#CCCCCCOCc1ncco1 34a_100000766912_103436540062 [0,2,0,0,0,0|1,0,1]=4 12981 B14R1.40 C#CCCCCCOCc1ncco1 7a_100000766912_103436540062 [0,2,0,0,0,0|1,0,1]=4 12982 B14R1.40 C#CCCCCCSCc1ncco1 62a_100012094781_103436540062 [0,2,0,0,0,0|1,0,1]=4 12983 B14R1.40 C#CCCCCCSCc1ncco1 62a_103436540062_100012094781 [0,2,0,0,0,0|1,0,1]=4 12984 B14R1.40 C#CCCCCNCCc1ccco1 2230a_100000694680_100010269958 [0,2,0,0,0,0|0,0,1]=3 12985 B14R1.40 C#CCCCCNCCc1ccco1 34a_100000694680_100010269958 [0,2,0,0,0,0|0,0,1]=3 12986 B14R1.40 C#CCCCCNCCc1cccs1 2230a_100000203755_100010269958 [0,2,0,0,0,0|0,1,1]=4 12987 B14R1.40 C#CCCCCNCCc1cccs1 2230a_100000706060_100000748579 [0,2,0,0,0,0|0,1,1]=4 12988 B14R1.40 C#CCCCCNCCc1cccs1 34a_100000203755_100010269958 [0,2,0,0,0,0|0,1,1]=4 12989 B14R1.40 C#CCCCCNCCc1cccs1 34a_100000706060_100000748579 [0,2,0,0,0,0|0,1,1]=4 12990 B14R1.40 C#CCCCCOCCc1cccs1 34a_100000766709_100000748579 [0,2,0,0,0,0|0,1,1]=4 12991 B14R1.40 C#CCCCCOCCc1cccs1 34a_100011216825_100010269958 [0,2,0,0,0,0|0,1,1]=4 12992 B14R1.40 C#CCCCCOCCc1cccs1 7a_100000766709_100000748579 [0,2,0,0,0,0|0,1,1]=4 12993 B14R1.40 C#CCCCCOCCc1cccs1 7a_100011216825_100010269958 [0,2,0,0,0,0|0,1,1]=4 12994 B14R1.40 C#CCCCCSCCc1cccs1 62a_100000748579_100010269958 [0,2,0,0,0,0|0,1,1]=4 12995 B14R1.40 C#CCCCCSCCc1cccs1 62a_100010269958_100000748579 [0,2,0,0,0,0|0,1,1]=4 12996 B14R1.40 C#CCCCNCCCc1cccs1 34a_100000718082_100010992444 [0,2,0,0,0,0|0,1,1]=4 12997 B14R1.40 C#CCCCOCCCc1cccs1 34a_100000215630_100010992444 [0,2,0,0,0,0|0,1,1]=4 12998 B14R1.40 C#CCCCOCCCc1cccs1 34a_100011713143_100000695029 [0,2,0,0,0,0|0,1,1]=4 12999 B14R1.40 C#CCCCOCCCc1cccs1 7a_100000215630_100010992444 [0,2,0,0,0,0|0,1,1]=4 13000 B14R1.40 C#CCCCOCCCc1cccs1 7a_100011713143_100011215417 [0,2,0,0,0,0|0,1,1]=4 13001 B14R1.40 C#CCCCSCCCc1cccs1 62a_100010992444_100011215417 [0,2,0,0,0,0|0,1,1]=4 13002 B14R1.40 C#CCCCSCCCc1cccs1 62a_100011215417_100010992444 [0,2,0,0,0,0|0,1,1]=4 13003 B14R1.40 C#CCCNCCSCc1ccco1 2230a_100000184675_100000688953 [0,2,0,0,0,0|0,0,2]=4 13004 B14R1.40 C#CCCNCCSCc1ccco1 7a_100000184675_100000688953 [0,2,0,0,0,0|0,0,2]=4 13005 B14R1.40 C#CCOCCNCCc1ccco1 2230a_100000694680_100010402529 [0,2,0,0,0,0|0,0,2]=4 13006 B14R1.40 C#CCOCCNCCc1ccco1 34a_100000694680_100010402529 [0,2,0,0,0,0|0,0,2]=4 13007 B14R1.40 C/C=C/CCOCCCc1cccs1 34a_100016278192_100010992444 [0,2,0,0,0,0|0,1,1]=4 13008 B14R1.40 C/C=C/CNCCSCc1ccco1 7a_100000184675_100102629194 [0,2,0,0,0,0|0,0,2]=4 13009 B14R1.40 C=CCCCCCCSc1ccco1 62a_100009814098_100011215473 [0,2,0,0,0,0|0,0,1]=3 13010 B14R1.40 C=CCCCCCCSc1ccco1 62a_100011215473_100009814098 [0,2,0,0,0,0|0,0,1]=3 13011 B14R1.40 C=CCCCCCCSc1cccs1 62a_100011215356_100011215473 [0,2,0,0,0,0|0,1,1]=4 13012 B14R1.40 C=CCCCCCCSc1cccs1 62a_100011215473_100011215356 [0,2,0,0,0,0|0,1,1]=4 13013 B14R1.40 C=CCCCCCCSc1cnco1 62a_100011215473_100020591547 [0,2,0,0,0,0|1,0,1]=4 13014 B14R1.40 C=CCCCCCCSc1cnco1 62a_100020591547_100011215473 [0,2,0,0,0,0|1,0,1]=4 13015 B14R1.40 C=CCCCCCCSc1ncco1 62a_100011215473_100011787736 [0,2,0,0,0,0|1,0,1]=4 13016 B14R1.40 C=CCCCCCCSc1ncco1 62a_100011787736_100011215473 [0,2,0,0,0,0|1,0,1]=4 13017 B14R1.40 C=CCCCCCNCc1ccco1 2230a_100000185738_100000700193 [0,2,0,0,0,0|0,0,1]=3 13018 B14R1.40 C=CCCCCCNCc1ccco1 34a_100000185738_100000700193 [0,2,0,0,0,0|0,0,1]=3 13019 B14R1.40 C=CCCCCCNCc1cccs1 2230a_100000211653_100000700193 [0,2,0,0,0,0|0,1,1]=4 13020 B14R1.40 C=CCCCCCNCc1ncco1 2230a_100016994969_100000700193 [0,2,0,0,0,0|1,0,1]=4 13021 B14R1.40 C=CCCCCCOCc1ccco1 34a_100000210059_100000700193 [0,2,0,0,0,0|0,0,1]=3 13022 B14R1.40 C=CCCCCCOCc1cccs1 34a_100000211240_100000700193 [0,2,0,0,0,0|0,1,1]=4 13023 B14R1.40 C=CCCCCCOCc1ccno1 34a_100000740478_100000700193 [0,2,0,0,0,0|1,0,1]=4 13024 B14R1.40 C=CCCCCCOCc1ncco1 34a_100000062594_100000700193 [0,2,0,0,0,0|1,0,1]=4 13025 B14R1.40 C=CCCCCCOCc1ncco1 34a_100011216702_103436540062 [0,2,0,0,0,0|1,0,1]=4 13026 B14R1.40 C=CCCCCCOCc1ncco1 7a_100011216702_103436540062 [0,2,0,0,0,0|1,0,1]=4 13027 B14R1.40 C=CCCCCCSCc1ncco1 62a_100000700193_103436540062 [0,2,0,0,0,0|1,0,1]=4 13028 B14R1.40 C=CCCCCCSCc1ncco1 62a_103436540062_100000700193 [0,2,0,0,0,0|1,0,1]=4 13029 B14R1.40 C=CCCCCNCCc1ccco1 2230a_100000694680_100011215482 [0,2,0,0,0,0|0,0,1]=3 13030 B14R1.40 C=CCCCCNCCc1ccco1 34a_100000694680_100011215482 [0,2,0,0,0,0|0,0,1]=3 13031 B14R1.40 C=CCCCCNCCc1cccs1 2230a_100000203755_100011215482 [0,2,0,0,0,0|0,1,1]=4 13032 B14R1.40 C=CCCCCNCCc1cccs1 2230a_100000703577_100000748579 [0,2,0,0,0,0|0,1,1]=4 13033 B14R1.40 C=CCCCCNCCc1cccs1 34a_100000203755_100011215482 [0,2,0,0,0,0|0,1,1]=4 13034 B14R1.40 C=CCCCCNCCc1cccs1 34a_100000703577_100000748579 [0,2,0,0,0,0|0,1,1]=4 13035 B14R1.40 C=CCCCCOCCc1cccs1 34a_100000766645_100000748579 [0,2,0,0,0,0|0,1,1]=4 13036 B14R1.40 C=CCCCCOCCc1cccs1 34a_100011216825_100011215482 [0,2,0,0,0,0|0,1,1]=4 13037 B14R1.40 C=CCCCCOCCc1cccs1 7a_100000766645_100000748579 [0,2,0,0,0,0|0,1,1]=4 13038 B14R1.40 C=CCCCCOCCc1cccs1 7a_100011216825_100011215482 [0,2,0,0,0,0|0,1,1]=4 13039 B14R1.40 C=CCCCCSCCc1cccs1 62a_100000748579_100011215482 [0,2,0,0,0,0|0,1,1]=4 13040 B14R1.40 C=CCCCCSCCc1cccs1 62a_100011215482_100000748579 [0,2,0,0,0,0|0,1,1]=4 13041 B14R1.40 C=CCCCNCCCc1cccs1 2230a_100000700776_100010992444 [0,2,0,0,0,0|0,1,1]=4 13042 B14R1.40 C=CCCCNCCCc1cccs1 34a_100000700776_100010992444 [0,2,0,0,0,0|0,1,1]=4 13043 B14R1.40 C=CCCCOCCCc1cccs1 34a_100000758997_100010992444 [0,2,0,0,0,0|0,1,1]=4 13044 B14R1.40 C=CCCCOCCCc1cccs1 34a_100011713143_100000757094 [0,2,0,0,0,0|0,1,1]=4 13045 B14R1.40 C=CCCCOCCCc1cccs1 7a_100000758997_100010992444 [0,2,0,0,0,0|0,1,1]=4 13046 B14R1.40 C=CCCCOCCCc1cccs1 7a_100011713143_100000757094 [0,2,0,0,0,0|0,1,1]=4 13047 B14R1.40 C=CCCCSCCCc1cccs1 62a_100010992444_100000757094 [0,2,0,0,0,0|0,1,1]=4 13048 B14R1.40 C=CCCCSCCCc1cccs1 62a_100011713584_100010992444 [0,2,0,0,0,0|0,1,1]=4 13049 B14R1.40 C=CCCNCCSCc1ccco1 2230a_100000184675_100000754431 [0,2,0,0,0,0|0,0,2]=4 13050 B14R1.40 C=CCCNCCSCc1ccco1 7a_100000184675_100000754431 [0,2,0,0,0,0|0,0,2]=4 13051 B14R1.40 CC#CCCOCCCc1cccs1 34a_100000750427_100010992444 [0,2,0,0,0,0|0,1,1]=4 13052 B14R1.40 CC#CCNCCSCc1ccco1 2230a_100000184675_100000748600 [0,2,0,0,0,0|0,0,2]=4 13053 B14R1.40 CC#CCNCCSCc1ccco1 7a_100000184675_100000748600 [0,2,0,0,0,0|0,0,2]=4 13054 B14R1.40 CC/C=C/CCCOCc1ncco1 34a_100016287902_103436540062 [0,2,0,0,0,0|1,0,1]=4 13055 B14R1.40 CC/C=C/CCCOCc1ncco1 7a_100016287902_103436540062 [0,2,0,0,0,0|1,0,1]=4 13056 B14R1.40 CC/C=C\CCNCCc1ccco1 2230a_100000694680_100015370543 [0,2,0,0,0,0|0,0,1]=3 13057 B14R1.40 CC/C=C\CCNCCc1ccco1 34a_100000694680_100015370543 [0,2,0,0,0,0|0,0,1]=3 13058 B14R1.40 CC/C=C\CCNCCc1cccs1 2230a_100000203755_100015370543 [0,2,0,0,0,0|0,1,1]=4 13059 B14R1.40 CC/C=C\CCNCCc1cccs1 34a_100000203755_100015370543 [0,2,0,0,0,0|0,1,1]=4 13060 B14R1.40 CC/C=C\CCOCCc1cccs1 34a_100011216825_100015370543 [0,2,0,0,0,0|0,1,1]=4 13061 B14R1.40 CC/C=C\CCOCCc1cccs1 34a_100016288707_100000748579 [0,2,0,0,0,0|0,1,1]=4 13062 B14R1.40 CC/C=C\CCOCCc1cccs1 7a_100011216825_100015370543 [0,2,0,0,0,0|0,1,1]=4 13063 B14R1.40 CC/C=C\CCOCCc1cccs1 7a_100016288707_100000748579 [0,2,0,0,0,0|0,1,1]=4 13064 B14R1.40 CC/C=C\CCSCCc1cccs1 62a_100000748579_100015370543 [0,2,0,0,0,0|0,1,1]=4 13065 B14R1.40 CC/C=C\CCSCCc1cccs1 62a_100015370543_100000748579 [0,2,0,0,0,0|0,1,1]=4 13066 B14R1.40 CC/C=C\COCCCc1cccs1 34a_100011713143_100103147603 [0,2,0,0,0,0|0,1,1]=4 13067 B14R1.40 CC/C=C\COCCCc1cccs1 34a_100016268518_100010992444 [0,2,0,0,0,0|0,1,1]=4 13068 B14R1.40 CC/C=C\COCCCc1cccs1 7a_100011713143_100103147603 [0,2,0,0,0,0|0,1,1]=4 13069 B14R1.40 CC/C=C\CSCCCc1cccs1 62a_100010992444_100103147603 [0,2,0,0,0,0|0,1,1]=4 13070 B14R1.40 CC/C=C\CSCCCc1cccs1 62a_100103147603_100010992444 [0,2,0,0,0,0|0,1,1]=4 13071 B14R1.40 CC=CCCCOCCc1cccs1 34a_100020645299_100000748579 [0,2,0,0,0,0|0,1,1]=4 13072 B14R1.40 CC=CCNCCSCc1ccco1 2230a_100000184675_100000070051 [0,2,0,0,0,0|0,0,2]=4 13073 B14R1.40 CC=CCNCCSCc1ccco1 7a_100000184675_100000070051 [0,2,0,0,0,0|0,0,2]=4 13074 B14R1.40 CCC#CCCOCCc1cccs1 34a_100000036655_100000748579 [0,2,0,0,0,0|0,1,1]=4 13075 B14R1.40 CCC#CCCOCCc1cccs1 7a_100000036655_100000748579 [0,2,0,0,0,0|0,1,1]=4 13076 B14R1.40 CCC#CCOCCCc1cccs1 34a_100000032950_100010992444 [0,2,0,0,0,0|0,1,1]=4 13077 B14R1.40 CCC#CCOCCCc1cccs1 34a_100011713143_100009813939 [0,2,0,0,0,0|0,1,1]=4 13078 B14R1.40 CCC#CCOCCCc1cccs1 7a_100011713143_100009813939 [0,2,0,0,0,0|0,1,1]=4 13079 B14R1.40 CCC#CCSCCCc1cccs1 62a_100009813939_100010992444 [0,2,0,0,0,0|0,1,1]=4 13080 B14R1.40 CCC#CCSCCCc1cccs1 62a_100010992444_100009813939 [0,2,0,0,0,0|0,1,1]=4 13081 B14R1.40 CCC/C=C/COCCc1cccs1 34a_100016278788_100000748579 [0,2,0,0,0,0|0,1,1]=4 13082 B14R1.40 CCC/C=C/COCCc1cccs1 7a_100016278788_100000748579 [0,2,0,0,0,0|0,1,1]=4 13083 B14R1.40 CCCC#CCCOCc1ncco1 34a_100000042726_103436540062 [0,2,0,0,0,0|1,0,1]=4 13084 B14R1.40 CCCC#CCCOCc1ncco1 7a_100000042726_103436540062 [0,2,0,0,0,0|1,0,1]=4 13085 B14R1.40 CCCC#CCOCCc1cccs1 34a_100000034806_100000748579 [0,2,0,0,0,0|0,1,1]=4 13086 B14R1.40 CCCC#CCOCCc1cccs1 7a_100000034806_100000748579 [0,2,0,0,0,0|0,1,1]=4 13087 B14R1.40 CCCC/C=C/COCc1ncco1 34a_200016272032_103436540062 [0,2,0,0,0,0|1,0,1]=4 13088 B14R1.40 CCCC/C=C/COCc1ncco1 7a_200016272032_103436540062 [0,2,0,0,0,0|1,0,1]=4 13089 B14R1.40 CCCCC#CCOCc1ncco1 34a_200000034558_103436540062 [0,2,0,0,0,0|1,0,1]=4 13090 B14R1.40 CCCCC#CCOCc1ncco1 7a_200000034558_103436540062 [0,2,0,0,0,0|1,0,1]=4 13091 B14R1.40 CCCCCC#CCSc1ccco1 62a_100009814098_100009816472 [0,2,0,0,0,0|0,0,1]=3 13092 B14R1.40 CCCCCC#CCSc1ccco1 62a_100009816472_100009814098 [0,2,0,0,0,0|0,0,1]=3 13093 B14R1.40 CCCCCC#CCSc1cccs1 62a_100009816472_100011215356 [0,2,0,0,0,0|0,1,1]=4 13094 B14R1.40 CCCCCC#CCSc1cccs1 62a_100011215356_100009816472 [0,2,0,0,0,0|0,1,1]=4 13095 B14R1.40 CCCCCC#CCSc1cnco1 62a_100009816472_100020591547 [0,2,0,0,0,0|1,0,1]=4 13096 B14R1.40 CCCCCC#CCSc1cnco1 62a_100020591547_100009816472 [0,2,0,0,0,0|1,0,1]=4 13097 B14R1.40 CCCCCC#CCSc1ncco1 62a_100009816472_100011787736 [0,2,0,0,0,0|1,0,1]=4 13098 B14R1.40 CCCCCC#CCSc1ncco1 62a_100011787736_100009816472 [0,2,0,0,0,0|1,0,1]=4 13099 B14R1.40 CCCCCCCC=Cc1c[nH]cn1 271570a_100134823654_100000756875 [0,2,0,0,0,0|2,0,0]=4 13100 B14R1.40 CCCCCCCC=Cc1cc[nH]n1 271570a_100134823654_100000062575 [0,2,0,0,0,0|2,0,0]=4 13101 B14R1.40 CCCCCCCC=Cc1ccco1 271570a_100134823654_100009814098 [0,2,0,0,0,0|0,0,0]=2 13102 B14R1.40 CCCCCCCC=Cc1cccs1 271570a_100134823654_100011215356 [0,2,0,0,0,0|0,1,0]=3 13103 B14R1.40 CCCCCCCC=Cc1ccoc1 271570a_100134823654_100011215275 [0,2,0,0,0,0|2,0,0]=4 13104 B14R1.40 CCCCCCCC=Cc1ccsc1 271570a_100134823654_100000738268 [0,2,0,0,0,0|2,0,0]=4 13105 B14R1.40 CCCCCCCC=Cc1ccsn1 271570a_100134823654_100009818082 [0,2,0,0,0,0|2,0,0]=4 13106 B14R1.40 CCCCCCCC=Cc1cnco1 271570a_100134823654_100020591547 [0,2,0,0,0,0|1,0,0]=3 13107 B14R1.40 CCCCCCCC=Cc1cncs1 271570a_100134823654_100011934649 [0,2,0,0,0,0|1,1,0]=4 13108 B14R1.40 CCCCCCCC=Cc1cscn1 271570a_100134823654_100000751502 [0,2,0,0,0,0|2,0,0]=4 13109 B14R1.40 CCCCCCCC=Cc1ncc[nH]1 271570a_100134823654_100025796157 [0,2,0,0,0,0|2,0,0]=4 13110 B14R1.40 CCCCCCCC=Cc1ncco1 271570a_100134823654_100011787736 [0,2,0,0,0,0|1,0,0]=3 13111 B14R1.40 CCCCCCCC=Cc1nccs1 271570a_100134823654_100000211983 [0,2,0,0,0,0|1,1,0]=4 13112 B14R1.40 CCCCCCCCOc1ccsc1 34a_100000106738_100000210759 [0,2,0,0,0,0|2,0,0]=4 13113 B14R1.40 CCCCCCCCOc1ccsc1 7a_100000106738_100000210759 [0,2,0,0,0,0|2,0,0]=4 13114 B14R1.40 CCCCCCCCSc1c[nH]cn1 62a_100000210759_100000756875 [0,2,0,0,0,0|2,0,0]=4 13115 B14R1.40 CCCCCCCCSc1c[nH]cn1 62a_100000756875_100000210317 [0,2,0,0,0,0|2,0,0]=4 13116 B14R1.40 CCCCCCCCSc1cc[nH]n1 62a_100000062575_100000210317 [0,2,0,0,0,0|2,0,0]=4 13117 B14R1.40 CCCCCCCCSc1cc[nH]n1 62a_100000210759_100000062575 [0,2,0,0,0,0|2,0,0]=4 13118 B14R1.40 CCCCCCCCSc1ccco1 62a_100000210759_100009814098 [0,2,0,0,0,0|0,0,0]=2 13119 B14R1.40 CCCCCCCCSc1ccco1 62a_100009814098_100000210317 [0,2,0,0,0,0|0,0,0]=2 13120 B14R1.40 CCCCCCCCSc1cccs1 62a_100000210759_100011215356 [0,2,0,0,0,0|0,1,0]=3 13121 B14R1.40 CCCCCCCCSc1cccs1 62a_100011215356_100000210317 [0,2,0,0,0,0|0,1,0]=3 13122 B14R1.40 CCCCCCCCSc1ccoc1 62a_100000210759_100011215275 [0,2,0,0,0,0|2,0,0]=4 13123 B14R1.40 CCCCCCCCSc1ccoc1 62a_100011215275_100000210317 [0,2,0,0,0,0|2,0,0]=4 13124 B14R1.40 CCCCCCCCSc1ccon1 62a_100000210759_100009818083 [0,2,0,0,0,0|2,0,0]=4 13125 B14R1.40 CCCCCCCCSc1ccon1 62a_100009818083_100000210317 [0,2,0,0,0,0|2,0,0]=4 13126 B14R1.40 CCCCCCCCSc1ccsc1 62a_100000210759_100000738268 [0,2,0,0,0,0|2,0,0]=4 13127 B14R1.40 CCCCCCCCSc1ccsc1 62a_100000738268_100000210317 [0,2,0,0,0,0|2,0,0]=4 13128 B14R1.40 CCCCCCCCSc1ccsn1 62a_100000210759_100009818082 [0,2,0,0,0,0|2,0,0]=4 13129 B14R1.40 CCCCCCCCSc1ccsn1 62a_100009818082_100000210317 [0,2,0,0,0,0|2,0,0]=4 13130 B14R1.40 CCCCCCCCSc1cnco1 62a_100000210759_100020591547 [0,2,0,0,0,0|1,0,0]=3 13131 B14R1.40 CCCCCCCCSc1cnco1 62a_100020591547_100000210317 [0,2,0,0,0,0|1,0,0]=3 13132 B14R1.40 CCCCCCCCSc1cncs1 62a_100000210759_100011934649 [0,2,0,0,0,0|1,1,0]=4 13133 B14R1.40 CCCCCCCCSc1cncs1 62a_100011934649_100000210317 [0,2,0,0,0,0|1,1,0]=4 13134 B14R1.40 CCCCCCCCSc1cscn1 62a_100000210759_100000751502 [0,2,0,0,0,0|2,0,0]=4 13135 B14R1.40 CCCCCCCCSc1cscn1 62a_100000751502_100000210317 [0,2,0,0,0,0|2,0,0]=4 13136 B14R1.40 CCCCCCCCSc1ncc[nH]1 62a_100000210759_100025796157 [0,2,0,0,0,0|2,0,0]=4 13137 B14R1.40 CCCCCCCCSc1ncc[nH]1 62a_100025796157_100000210317 [0,2,0,0,0,0|2,0,0]=4 13138 B14R1.40 CCCCCCCCSc1ncco1 62a_100000210759_100011787736 [0,2,0,0,0,0|1,0,0]=3 13139 B14R1.40 CCCCCCCCSc1ncco1 62a_100011787736_100000210317 [0,2,0,0,0,0|1,0,0]=3 13140 B14R1.40 CCCCCCCCSc1nccs1 62a_100000210759_100000211983 [0,2,0,0,0,0|1,1,0]=4 13141 B14R1.40 CCCCCCCCSc1nccs1 62a_100000211983_100000210317 [0,2,0,0,0,0|1,1,0]=4 13142 B14R1.40 CCCCCCCNCc1c[nH]cn1 2230a_100000229938_100000707719 [0,2,0,0,0,0|2,0,0]=4 13143 B14R1.40 CCCCCCCNCc1cc[nH]n1 207a_100000229938_100000738523 [0,2,0,0,0,0|2,0,0]=4 13144 B14R1.40 CCCCCCCNCc1cc[nH]n1 270004a_100000229938_100000738523 [0,2,0,0,0,0|2,0,0]=4 13145 B14R1.40 CCCCCCCNCc1ccco1 207a_100000229938_100000186105 [0,2,0,0,0,0|0,0,0]=2 13146 B14R1.40 CCCCCCCNCc1ccco1 2230a_100000185738_100000210681 [0,2,0,0,0,0|0,0,0]=2 13147 B14R1.40 CCCCCCCNCc1ccco1 270004a_100000229938_100000186105 [0,2,0,0,0,0|0,0,0]=2 13148 B14R1.40 CCCCCCCNCc1ccco1 34a_100000185738_100000210614 [0,2,0,0,0,0|0,0,0]=2 13149 B14R1.40 CCCCCCCNCc1cccs1 207a_100000229938_100000209959 [0,2,0,0,0,0|0,1,0]=3 13150 B14R1.40 CCCCCCCNCc1cccs1 2230a_100000211653_100000210681 [0,2,0,0,0,0|0,1,0]=3 13151 B14R1.40 CCCCCCCNCc1cccs1 270004a_100000229938_100000209959 [0,2,0,0,0,0|0,1,0]=3 13152 B14R1.40 CCCCCCCNCc1ccn[nH]1 2230a_100000229938_100000728653 [0,2,0,0,0,0|2,0,0]=4 13153 B14R1.40 CCCCCCCNCc1ccoc1 207a_100000229938_100011215517 [0,2,0,0,0,0|2,0,0]=4 13154 B14R1.40 CCCCCCCNCc1ccoc1 2230a_100015206860_100000210681 [0,2,0,0,0,0|2,0,0]=4 13155 B14R1.40 CCCCCCCNCc1ccoc1 270004a_100000229938_100011215517 [0,2,0,0,0,0|2,0,0]=4 13156 B14R1.40 CCCCCCCNCc1ccoc1 34a_100015206860_100000210614 [0,2,0,0,0,0|2,0,0]=4 13157 B14R1.40 CCCCCCCNCc1ccon1 2230a_100000229938_100000234950 [0,2,0,0,0,0|2,0,0]=4 13158 B14R1.40 CCCCCCCNCc1ccsc1 207a_100000229938_100000188534 [0,2,0,0,0,0|2,0,0]=4 13159 B14R1.40 CCCCCCCNCc1ccsc1 2230a_100000186416_100000210681 [0,2,0,0,0,0|2,0,0]=4 13160 B14R1.40 CCCCCCCNCc1ccsc1 2230a_100000229938_100011261437 [0,2,0,0,0,0|2,0,0]=4 13161 B14R1.40 CCCCCCCNCc1ccsc1 270004a_100000229938_100000188534 [0,2,0,0,0,0|2,0,0]=4 13162 B14R1.40 CCCCCCCNCc1ccsc1 34a_100000186416_100000210614 [0,2,0,0,0,0|2,0,0]=4 13163 B14R1.40 CCCCCCCNCc1cnc[nH]1 207a_100000229938_100000742939 [0,2,0,0,0,0|2,0,0]=4 13164 B14R1.40 CCCCCCCNCc1cnco1 270004a_100000229938_100000064291 [0,2,0,0,0,0|1,0,0]=3 13165 B14R1.40 CCCCCCCNCc1cncs1 207a_100000229938_100000749870 [0,2,0,0,0,0|1,1,0]=4 13166 B14R1.40 CCCCCCCNCc1cncs1 2230a_100000229938_100015185245 [0,2,0,0,0,0|1,1,0]=4 13167 B14R1.40 CCCCCCCNCc1cncs1 2230a_100016987365_100000210681 [0,2,0,0,0,0|1,1,0]=4 13168 B14R1.40 CCCCCCCNCc1cncs1 270004a_100000229938_100000749870 [0,2,0,0,0,0|1,1,0]=4 13169 B14R1.40 CCCCCCCNCc1cocn1 270004a_100000229938_100000050382 [0,2,0,0,0,0|2,0,0]=4 13170 B14R1.40 CCCCCCCNCc1cscn1 207a_100000229938_100000743575 [0,2,0,0,0,0|2,0,0]=4 13171 B14R1.40 CCCCCCCNCc1cscn1 2230a_100000229938_100000205941 [0,2,0,0,0,0|2,0,0]=4 13172 B14R1.40 CCCCCCCNCc1cscn1 2230a_100015185402_100000210681 [0,2,0,0,0,0|2,0,0]=4 13173 B14R1.40 CCCCCCCNCc1cscn1 270004a_100000229938_100000743575 [0,2,0,0,0,0|2,0,0]=4 13174 B14R1.40 CCCCCCCNCc1ncc[nH]1 207a_100000229938_100000743867 [0,2,0,0,0,0|2,0,0]=4 13175 B14R1.40 CCCCCCCNCc1ncc[nH]1 2230a_100000229938_100016991755 [0,2,0,0,0,0|2,0,0]=4 13176 B14R1.40 CCCCCCCNCc1ncco1 2230a_100000229938_103436540062 [0,2,0,0,0,0|1,0,0]=3 13177 B14R1.40 CCCCCCCNCc1ncco1 2230a_100016994969_100000210681 [0,2,0,0,0,0|1,0,0]=3 13178 B14R1.40 CCCCCCCNCc1ncco1 270004a_100000229938_100000064290 [0,2,0,0,0,0|1,0,0]=3 13179 B14R1.40 CCCCCCCNCc1nccs1 207a_100000229938_100000750902 [0,2,0,0,0,0|1,1,0]=4 13180 B14R1.40 CCCCCCCNCc1nccs1 2230a_100000229938_100015184050 [0,2,0,0,0,0|1,1,0]=4 13181 B14R1.40 CCCCCCCNCc1nccs1 2230a_100000740555_100000210681 [0,2,0,0,0,0|1,1,0]=4 13182 B14R1.40 CCCCCCCNCc1nccs1 270004a_100000229938_100000750902 [0,2,0,0,0,0|1,1,0]=4 13183 B14R1.40 CCCCCCCOCc1c[nH]cn1 34a_100000210272_100000707719 [0,2,0,0,0,0|2,0,0]=4 13184 B14R1.40 CCCCCCCOCc1ccco1 34a_100000210059_100000210614 [0,2,0,0,0,0|0,0,0]=2 13185 B14R1.40 CCCCCCCOCc1cccs1 34a_100000211240_100000210614 [0,2,0,0,0,0|0,1,0]=3 13186 B14R1.40 CCCCCCCOCc1ccn[nH]1 34a_100000210272_100000728653 [0,2,0,0,0,0|2,0,0]=4 13187 B14R1.40 CCCCCCCOCc1ccn[nH]1 7a_100000210272_100000728653 [0,2,0,0,0,0|2,0,0]=4 13188 B14R1.40 CCCCCCCOCc1ccno1 34a_100000740478_100000210614 [0,2,0,0,0,0|1,0,0]=3 13189 B14R1.40 CCCCCCCOCc1ccoc1 34a_100011215357_100000210614 [0,2,0,0,0,0|2,0,0]=4 13190 B14R1.40 CCCCCCCOCc1ccon1 34a_100000210272_100000234950 [0,2,0,0,0,0|2,0,0]=4 13191 B14R1.40 CCCCCCCOCc1ccon1 7a_100000210272_100000234950 [0,2,0,0,0,0|2,0,0]=4 13192 B14R1.40 CCCCCCCOCc1ccsc1 34a_100000210272_100011261437 [0,2,0,0,0,0|2,0,0]=4 13193 B14R1.40 CCCCCCCOCc1ccsc1 34a_100011215551_100000210614 [0,2,0,0,0,0|2,0,0]=4 13194 B14R1.40 CCCCCCCOCc1ccsc1 7a_100000210272_100011261437 [0,2,0,0,0,0|2,0,0]=4 13195 B14R1.40 CCCCCCCOCc1cncs1 34a_100000210272_100015185245 [0,2,0,0,0,0|1,1,0]=4 13196 B14R1.40 CCCCCCCOCc1cncs1 7a_100000210272_100015185245 [0,2,0,0,0,0|1,1,0]=4 13197 B14R1.40 CCCCCCCOCc1cscn1 34a_100000210272_100000205941 [0,2,0,0,0,0|2,0,0]=4 13198 B14R1.40 CCCCCCCOCc1cscn1 7a_100000210272_100000205941 [0,2,0,0,0,0|2,0,0]=4 13199 B14R1.40 CCCCCCCOCc1ncc[nH]1 34a_100000210272_100016991755 [0,2,0,0,0,0|2,0,0]=4 13200 B14R1.40 CCCCCCCOCc1ncc[nH]1 7a_100000210272_100000753453 [0,2,0,0,0,0|2,0,0]=4 13201 B14R1.40 CCCCCCCOCc1ncco1 34a_100000062594_100000210614 [0,2,0,0,0,0|1,0,0]=3 13202 B14R1.40 CCCCCCCOCc1ncco1 34a_100000210272_103436540062 [0,2,0,0,0,0|1,0,0]=3 13203 B14R1.40 CCCCCCCOCc1ncco1 7a_100000210272_103436540062 [0,2,0,0,0,0|1,0,0]=3 13204 B14R1.40 CCCCCCCOCc1nccs1 34a_100000210272_100015184050 [0,2,0,0,0,0|1,1,0]=4 13205 B14R1.40 CCCCCCCOCc1nccs1 7a_100000210272_100015184050 [0,2,0,0,0,0|1,1,0]=4 13206 B14R1.40 CCCCCCCOCn1cccn1 34a_100000731028_100000210614 [0,2,0,0,0,0|2,0,0]=4 13207 B14R1.40 CCCCCCCSCc1c[nH]cn1 62a_100000210614_100000707719 [0,2,0,0,0,0|2,0,0]=4 13208 B14R1.40 CCCCCCCSCc1c[nH]cn1 62a_100000707719_100000210316 [0,2,0,0,0,0|2,0,0]=4 13209 B14R1.40 CCCCCCCSCc1ccn[nH]1 62a_100000210614_100000728653 [0,2,0,0,0,0|2,0,0]=4 13210 B14R1.40 CCCCCCCSCc1ccn[nH]1 62a_100000728653_100000210316 [0,2,0,0,0,0|2,0,0]=4 13211 B14R1.40 CCCCCCCSCc1ccon1 62a_100000210614_100000234950 [0,2,0,0,0,0|2,0,0]=4 13212 B14R1.40 CCCCCCCSCc1ccon1 62a_100000234950_100000210316 [0,2,0,0,0,0|2,0,0]=4 13213 B14R1.40 CCCCCCCSCc1ccsc1 62a_100000210614_100011233845 [0,2,0,0,0,0|2,0,0]=4 13214 B14R1.40 CCCCCCCSCc1ccsc1 62a_100011261437_100000210316 [0,2,0,0,0,0|2,0,0]=4 13215 B14R1.40 CCCCCCCSCc1cncs1 62a_100000210614_100015185245 [0,2,0,0,0,0|1,1,0]=4 13216 B14R1.40 CCCCCCCSCc1cncs1 62a_100015185245_100000210316 [0,2,0,0,0,0|1,1,0]=4 13217 B14R1.40 CCCCCCCSCc1cscn1 62a_100000205941_100000210316 [0,2,0,0,0,0|2,0,0]=4 13218 B14R1.40 CCCCCCCSCc1cscn1 62a_100000210614_100000205941 [0,2,0,0,0,0|2,0,0]=4 13219 B14R1.40 CCCCCCCSCc1ncc[nH]1 62a_100000210614_100016991755 [0,2,0,0,0,0|2,0,0]=4 13220 B14R1.40 CCCCCCCSCc1ncc[nH]1 62a_100016991755_100000210316 [0,2,0,0,0,0|2,0,0]=4 13221 B14R1.40 CCCCCCCSCc1ncco1 62a_100000210614_103436540062 [0,2,0,0,0,0|1,0,0]=3 13222 B14R1.40 CCCCCCCSCc1ncco1 62a_103436540062_100000210316 [0,2,0,0,0,0|1,0,0]=3 13223 B14R1.40 CCCCCCCSCc1nccs1 62a_100000210614_100015184050 [0,2,0,0,0,0|1,1,0]=4 13224 B14R1.40 CCCCCCCSCc1nccs1 62a_100015184050_100000210316 [0,2,0,0,0,0|1,1,0]=4 13225 B14R1.40 CCCCCCNCCc1c[nH]cn1 2230a_100000210581_100020628418 [0,2,0,0,0,0|2,0,0]=4 13226 B14R1.40 CCCCCCNCCc1ccco1 2230a_100000694680_100000210314 [0,2,0,0,0,0|0,0,0]=2 13227 B14R1.40 CCCCCCNCCc1ccco1 34a_100000694680_100000210314 [0,2,0,0,0,0|0,0,0]=2 13228 B14R1.40 CCCCCCNCCc1cccs1 2230a_100000203755_100000210314 [0,2,0,0,0,0|0,1,0]=3 13229 B14R1.40 CCCCCCNCCc1cccs1 2230a_100000210581_100000748579 [0,2,0,0,0,0|0,1,0]=3 13230 B14R1.40 CCCCCCNCCc1cccs1 34a_100000203755_100000210314 [0,2,0,0,0,0|0,1,0]=3 13231 B14R1.40 CCCCCCNCCc1ccsc1 2230a_100000692642_100000210314 [0,2,0,0,0,0|2,0,0]=4 13232 B14R1.40 CCCCCCNCCc1ccsc1 34a_100000692642_100000210314 [0,2,0,0,0,0|2,0,0]=4 13233 B14R1.40 CCCCCCNCCc1cncs1 2230a_100016991637_100000210314 [0,2,0,0,0,0|1,1,0]=4 13234 B14R1.40 CCCCCCNCCc1nccs1 2230a_100015186391_100000210314 [0,2,0,0,0,0|1,1,0]=4 13235 B14R1.40 CCCCCCNCCn1cccc1 2230a_100000210581_200009811947 [0,2,0,0,0,0|2,0,0]=4 13236 B14R1.40 CCCCCCNCCn1cccc1 34a_100011368172_100000210314 [0,2,0,0,0,0|2,0,0]=4 13237 B14R1.40 CCCCCCNCCn1cccn1 2230a_100000210581_100000685285 [0,2,0,0,0,0|2,0,0]=4 13238 B14R1.40 CCCCCCNCCn1cccn1 2230a_100011200920_100000210314 [0,2,0,0,0,0|2,0,0]=4 13239 B14R1.40 CCCCCCOCCc1c[nH]cn1 7a_100000210259_100020628418 [0,2,0,0,0,0|2,0,0]=4 13240 B14R1.40 CCCCCCOCCc1cccs1 34a_100000210259_100000748579 [0,2,0,0,0,0|0,1,0]=3 13241 B14R1.40 CCCCCCOCCc1cccs1 34a_100011216825_100000210314 [0,2,0,0,0,0|0,1,0]=3 13242 B14R1.40 CCCCCCOCCc1cccs1 7a_100000210259_100000748579 [0,2,0,0,0,0|0,1,0]=3 13243 B14R1.40 CCCCCCOCCc1cccs1 7a_100011216825_100000210314 [0,2,0,0,0,0|0,1,0]=3 13244 B14R1.40 CCCCCCOCCc1ccsc1 34a_100000748821_100000210314 [0,2,0,0,0,0|2,0,0]=4 13245 B14R1.40 CCCCCCOCCc1ncc[nH]1 34a_103549771195_100000210314 [0,2,0,0,0,0|2,0,0]=4 13246 B14R1.40 CCCCCCOCCn1cccc1 34a_100000179382_100000210314 [0,2,0,0,0,0|2,0,0]=4 13247 B14R1.40 CCCCCCOCCn1cccc1 7a_100000210259_200000035178 [0,2,0,0,0,0|2,0,0]=4 13248 B14R1.40 CCCCCCOCCn1cccn1 34a_100000210259_100015204718 [0,2,0,0,0,0|2,0,0]=4 13249 B14R1.40 CCCCCCOCCn1cccn1 34a_100000743371_100000210314 [0,2,0,0,0,0|2,0,0]=4 13250 B14R1.40 CCCCCCOCCn1cccn1 7a_100000210259_100000685285 [0,2,0,0,0,0|2,0,0]=4 13251 B14R1.40 CCCCCCSCCc1c[nH]cn1 62a_100000210314_100020628418 [0,2,0,0,0,0|2,0,0]=4 13252 B14R1.40 CCCCCCSCCc1c[nH]cn1 62a_100020628418_100000210757 [0,2,0,0,0,0|2,0,0]=4 13253 B14R1.40 CCCCCCSCCc1cccs1 62a_100000210314_100000748579 [0,2,0,0,0,0|0,1,0]=3 13254 B14R1.40 CCCCCCSCCc1cccs1 62a_100000748579_100000210757 [0,2,0,0,0,0|0,1,0]=3 13255 B14R1.40 CCCCCCSCCn1cccc1 62a_100000210314_200000035178 [0,2,0,0,0,0|2,0,0]=4 13256 B14R1.40 CCCCCCSCCn1cccc1 62a_200009811947_100000210757 [0,2,0,0,0,0|2,0,0]=4 13257 B14R1.40 CCCCCCSCCn1cccn1 62a_100000210314_100000685285 [0,2,0,0,0,0|2,0,0]=4 13258 B14R1.40 CCCCCCSCCn1cccn1 62a_100015204718_100000210757 [0,2,0,0,0,0|2,0,0]=4 13259 B14R1.40 CCCCCNCC=Cc1ccco1 270004a_100000209983_100000185671 [0,2,0,0,0,0|0,0,1]=3 13260 B14R1.40 CCCCCNCCCc1cccs1 2230a_100000209983_100010992444 [0,2,0,0,0,0|0,1,0]=3 13261 B14R1.40 CCCCCNCCCn1cccc1 2230a_100000209983_200009814367 [0,2,0,0,0,0|2,0,0]=4 13262 B14R1.40 CCCCCNCCCn1cccn1 2230a_100000209983_100000739983 [0,2,0,0,0,0|2,0,0]=4 13263 B14R1.40 CCCCCOCCCc1cccs1 34a_100000210253_100010992444 [0,2,0,0,0,0|0,1,0]=3 13264 B14R1.40 CCCCCOCCCc1cccs1 34a_100011713143_100000718602 [0,2,0,0,0,0|0,1,0]=3 13265 B14R1.40 CCCCCOCCCc1cccs1 7a_100000210253_100010992444 [0,2,0,0,0,0|0,1,0]=3 13266 B14R1.40 CCCCCOCCCc1cccs1 7a_100011713143_100000210326 [0,2,0,0,0,0|0,1,0]=3 13267 B14R1.40 CCCCCOCCCc1ccsc1 34a_200000699776_100000718602 [0,2,0,0,0,0|2,0,0]=4 13268 B14R1.40 CCCCCOCCCc1ccsc1 7a_200000699776_100000210326 [0,2,0,0,0,0|2,0,0]=4 13269 B14R1.40 CCCCCOCCCn1cccc1 34a_100000179399_100000718602 [0,2,0,0,0,0|2,0,0]=4 13270 B14R1.40 CCCCCOCCCn1cccc1 34a_100000210253_200009814367 [0,2,0,0,0,0|2,0,0]=4 13271 B14R1.40 CCCCCOCCCn1cccc1 7a_100000179399_100000210326 [0,2,0,0,0,0|2,0,0]=4 13272 B14R1.40 CCCCCOCCCn1cccc1 7a_100000210253_200009814367 [0,2,0,0,0,0|2,0,0]=4 13273 B14R1.40 CCCCCOCCCn1cccn1 34a_100000753614_100000718602 [0,2,0,0,0,0|2,0,0]=4 13274 B14R1.40 CCCCCOCCCn1cccn1 7a_100000210253_100000739983 [0,2,0,0,0,0|2,0,0]=4 13275 B14R1.40 CCCCCSCCCc1cccs1 62a_100000210326_100010992444 [0,2,0,0,0,0|0,1,0]=3 13276 B14R1.40 CCCCCSCCCc1cccs1 62a_100010992444_100000210326 [0,2,0,0,0,0|0,1,0]=3 13277 B14R1.40 CCCCCSCCCn1cccc1 62a_100000210326_200009814367 [0,2,0,0,0,0|2,0,0]=4 13278 B14R1.40 CCCCCSCCCn1cccc1 62a_200009814367_100000210326 [0,2,0,0,0,0|2,0,0]=4 13279 B14R1.40 CCCCCSCCCn1cccn1 62a_100000210326_100000739983 [0,2,0,0,0,0|2,0,0]=4 13280 B14R1.40 CCCCCSCCCn1cccn1 62a_100000739983_100000210326 [0,2,0,0,0,0|2,0,0]=4 13281 B14R1.40 CCCCNCCSCc1ccco1 2230a_100000184675_100000210211 [0,2,0,0,0,0|0,0,0]=2 13282 B14R1.40 CCCCNCCSCc1ccco1 7a_100000184675_100000210211 [0,2,0,0,0,0|0,0,0]=2 13283 B14R1.40 CCCCOCCNCc1ccco1 2230a_100000185738_100000743108 [0,2,0,0,0,0|0,0,0]=2 13284 B14R1.40 CCCCOCCNCc1ccco1 34a_100000185738_100000743108 [0,2,0,0,0,0|0,0,0]=2 13285 B14R1.40 CCCCOCCNCc1cccs1 2230a_100000211653_100000743108 [0,2,0,0,0,0|0,1,0]=3 13286 B14R1.40 CCCCOCCNCc1ccoc1 2230a_100015206860_100000743108 [0,2,0,0,0,0|2,0,0]=4 13287 B14R1.40 CCCCOCCNCc1ccoc1 34a_100015206860_100000743108 [0,2,0,0,0,0|2,0,0]=4 13288 B14R1.40 CCCCOCCNCc1ccsc1 2230a_100000186416_100000743108 [0,2,0,0,0,0|2,0,0]=4 13289 B14R1.40 CCCCOCCNCc1ccsc1 34a_100000186416_100000743108 [0,2,0,0,0,0|2,0,0]=4 13290 B14R1.40 CCCCOCCNCc1cncs1 2230a_100016987365_100000743108 [0,2,0,0,0,0|1,1,0]=4 13291 B14R1.40 CCCCOCCNCc1cscn1 2230a_100015185402_100000743108 [0,2,0,0,0,0|2,0,0]=4 13292 B14R1.40 CCCCOCCNCc1ncco1 2230a_100016994969_100000743108 [0,2,0,0,0,0|1,0,0]=3 13293 B14R1.40 CCCCOCCNCc1nccs1 2230a_100000740555_100000743108 [0,2,0,0,0,0|1,1,0]=4 13294 B14R1.40 CCCCOCCOCc1c[nH]cn1 34a_100000210238_100000707719 [0,2,0,0,0,0|2,0,0]=4 13295 B14R1.40 CCCCOCCOCc1ccco1 34a_100000210059_100000743108 [0,2,0,0,0,0|0,0,0]=2 13296 B14R1.40 CCCCOCCOCc1cccs1 34a_100000211240_100000743108 [0,2,0,0,0,0|0,1,0]=3 13297 B14R1.40 CCCCOCCOCc1ccn[nH]1 34a_100000210238_100000728653 [0,2,0,0,0,0|2,0,0]=4 13298 B14R1.40 CCCCOCCOCc1ccn[nH]1 7a_100000210238_100000728653 [0,2,0,0,0,0|2,0,0]=4 13299 B14R1.40 CCCCOCCOCc1ccno1 34a_100000740478_100000743108 [0,2,0,0,0,0|1,0,0]=3 13300 B14R1.40 CCCCOCCOCc1ccoc1 34a_100011215357_100000743108 [0,2,0,0,0,0|2,0,0]=4 13301 B14R1.40 CCCCOCCOCc1ccon1 34a_100000210238_100000234950 [0,2,0,0,0,0|2,0,0]=4 13302 B14R1.40 CCCCOCCOCc1ccon1 7a_100000210238_100000234950 [0,2,0,0,0,0|2,0,0]=4 13303 B14R1.40 CCCCOCCOCc1ccsc1 34a_100000210238_100011261437 [0,2,0,0,0,0|2,0,0]=4 13304 B14R1.40 CCCCOCCOCc1ccsc1 34a_100011215551_100000743108 [0,2,0,0,0,0|2,0,0]=4 13305 B14R1.40 CCCCOCCOCc1ccsc1 7a_100000210238_100011261437 [0,2,0,0,0,0|2,0,0]=4 13306 B14R1.40 CCCCOCCOCc1cncs1 34a_100000210238_100015185245 [0,2,0,0,0,0|1,1,0]=4 13307 B14R1.40 CCCCOCCOCc1cncs1 7a_100000210238_100015185245 [0,2,0,0,0,0|1,1,0]=4 13308 B14R1.40 CCCCOCCOCc1cscn1 34a_100000210238_100000205941 [0,2,0,0,0,0|2,0,0]=4 13309 B14R1.40 CCCCOCCOCc1cscn1 7a_100000210238_100000205941 [0,2,0,0,0,0|2,0,0]=4 13310 B14R1.40 CCCCOCCOCc1ncc[nH]1 34a_100000210238_100016991755 [0,2,0,0,0,0|2,0,0]=4 13311 B14R1.40 CCCCOCCOCc1ncc[nH]1 7a_100000210238_100000753453 [0,2,0,0,0,0|2,0,0]=4 13312 B14R1.40 CCCCOCCOCc1ncco1 34a_100000062594_100000743108 [0,2,0,0,0,0|1,0,0]=3 13313 B14R1.40 CCCCOCCOCc1ncco1 34a_100000210238_103436540062 [0,2,0,0,0,0|1,0,0]=3 13314 B14R1.40 CCCCOCCOCc1ncco1 7a_100000210238_103436540062 [0,2,0,0,0,0|1,0,0]=3 13315 B14R1.40 CCCCOCCOCc1nccs1 34a_100000210238_100015184050 [0,2,0,0,0,0|1,1,0]=4 13316 B14R1.40 CCCCOCCOCc1nccs1 7a_100000210238_100015184050 [0,2,0,0,0,0|1,1,0]=4 13317 B14R1.40 CCCCOCCOCn1cccn1 34a_100000731028_100000743108 [0,2,0,0,0,0|2,0,0]=4 13318 B14R1.40 CCCCOCCSCc1c[nH]cn1 62a_100000707719_100000743108 [0,2,0,0,0,0|2,0,0]=4 13319 B14R1.40 CCCCOCCSCc1c[nH]cn1 62a_100000743108_100000707719 [0,2,0,0,0,0|2,0,0]=4 13320 B14R1.40 CCCCOCCSCc1ccn[nH]1 62a_100000728653_100000743108 [0,2,0,0,0,0|2,0,0]=4 13321 B14R1.40 CCCCOCCSCc1ccn[nH]1 62a_100000743108_100000728653 [0,2,0,0,0,0|2,0,0]=4 13322 B14R1.40 CCCCOCCSCc1ccon1 62a_100000234950_100000743108 [0,2,0,0,0,0|2,0,0]=4 13323 B14R1.40 CCCCOCCSCc1ccon1 62a_100000743108_100000234950 [0,2,0,0,0,0|2,0,0]=4 13324 B14R1.40 CCCCOCCSCc1ccsc1 62a_100000743108_100011233845 [0,2,0,0,0,0|2,0,0]=4 13325 B14R1.40 CCCCOCCSCc1ccsc1 62a_100011261437_100000743108 [0,2,0,0,0,0|2,0,0]=4 13326 B14R1.40 CCCCOCCSCc1cncs1 62a_100000743108_100015185245 [0,2,0,0,0,0|1,1,0]=4 13327 B14R1.40 CCCCOCCSCc1cncs1 62a_100015185245_100000743108 [0,2,0,0,0,0|1,1,0]=4 13328 B14R1.40 CCCCOCCSCc1cscn1 62a_100000205941_100000743108 [0,2,0,0,0,0|2,0,0]=4 13329 B14R1.40 CCCCOCCSCc1cscn1 62a_100000743108_100000205941 [0,2,0,0,0,0|2,0,0]=4 13330 B14R1.40 CCCCOCCSCc1ncc[nH]1 62a_100000743108_100016991755 [0,2,0,0,0,0|2,0,0]=4 13331 B14R1.40 CCCCOCCSCc1ncc[nH]1 62a_100016991755_100000743108 [0,2,0,0,0,0|2,0,0]=4 13332 B14R1.40 CCCCOCCSCc1ncco1 62a_100000743108_103436540062 [0,2,0,0,0,0|1,0,0]=3 13333 B14R1.40 CCCCOCCSCc1ncco1 62a_103436540062_100000743108 [0,2,0,0,0,0|1,0,0]=3 13334 B14R1.40 CCCCOCCSCc1nccs1 62a_100000743108_100015184050 [0,2,0,0,0,0|1,1,0]=4 13335 B14R1.40 CCCCOCCSCc1nccs1 62a_100015184050_100000743108 [0,2,0,0,0,0|1,1,0]=4 13336 B14R1.40 CCCCOCNCCc1ccco1 2230a_100000694680_100011995733 [0,2,0,0,0,0|0,0,0]=2 13337 B14R1.40 CCCCOCNCCc1ccco1 34a_100000694680_100011995733 [0,2,0,0,0,0|0,0,0]=2 13338 B14R1.40 CCCCOCNCCc1cccs1 2230a_100000203755_100011995733 [0,2,0,0,0,0|0,1,0]=3 13339 B14R1.40 CCCCOCNCCc1cccs1 34a_100000203755_100011995733 [0,2,0,0,0,0|0,1,0]=3 13340 B14R1.40 CCCCOCNCCc1ccsc1 2230a_100000692642_100011995733 [0,2,0,0,0,0|2,0,0]=4 13341 B14R1.40 CCCCOCNCCc1ccsc1 34a_100000692642_100011995733 [0,2,0,0,0,0|2,0,0]=4 13342 B14R1.40 CCCCOCNCCc1cncs1 2230a_100016991637_100011995733 [0,2,0,0,0,0|1,1,0]=4 13343 B14R1.40 CCCCOCNCCc1nccs1 2230a_100015186391_100011995733 [0,2,0,0,0,0|1,1,0]=4 13344 B14R1.40 CCCCOCNCCn1cccc1 34a_100011368172_100011995733 [0,2,0,0,0,0|2,0,0]=4 13345 B14R1.40 CCCCOCNCCn1cccn1 2230a_100011200920_100011995733 [0,2,0,0,0,0|2,0,0]=4 13346 B14R1.40 CCCCOCOCCc1cccs1 34a_100011216825_100011995733 [0,2,0,0,0,0|0,1,0]=3 13347 B14R1.40 CCCCOCOCCc1ccsc1 34a_100000748821_100011995733 [0,2,0,0,0,0|2,0,0]=4 13348 B14R1.40 CCCCOCOCCc1ncc[nH]1 34a_103549771195_100011995733 [0,2,0,0,0,0|2,0,0]=4 13349 B14R1.40 CCCCOCOCCn1cccc1 34a_100000179382_100011995733 [0,2,0,0,0,0|2,0,0]=4 13350 B14R1.40 CCCCOCOCCn1cccn1 34a_100000743371_100011995733 [0,2,0,0,0,0|2,0,0]=4 13351 B14R1.40 CCCCOCSCCc1c[nH]cn1 62a_100011995733_100020628418 [0,2,0,0,0,0|2,0,0]=4 13352 B14R1.40 CCCCOCSCCc1c[nH]cn1 62a_100020628418_100011995733 [0,2,0,0,0,0|2,0,0]=4 13353 B14R1.40 CCCCOCSCCc1cccs1 62a_100000748579_100011995733 [0,2,0,0,0,0|0,1,0]=3 13354 B14R1.40 CCCCOCSCCc1cccs1 62a_100011995733_100000748579 [0,2,0,0,0,0|0,1,0]=3 13355 B14R1.40 CCCCOCSCCn1cccc1 62a_100011995733_200000035178 [0,2,0,0,0,0|2,0,0]=4 13356 B14R1.40 CCCCOCSCCn1cccc1 62a_200009811947_100011995733 [0,2,0,0,0,0|2,0,0]=4 13357 B14R1.40 CCCCOCSCCn1cccn1 62a_100011995733_100000685285 [0,2,0,0,0,0|2,0,0]=4 13358 B14R1.40 CCCCOCSCCn1cccn1 62a_100015204718_100011995733 [0,2,0,0,0,0|2,0,0]=4 13359 B14R1.40 CCCCSCCNCc1c[nH]cn1 2230a_100025743550_100000707719 [0,2,0,0,0,0|2,0,0]=4 13360 B14R1.40 CCCCSCCNCc1cc[nH]n1 207a_100025743550_100000738523 [0,2,0,0,0,0|2,0,0]=4 13361 B14R1.40 CCCCSCCNCc1cc[nH]n1 270004a_100025743550_100000738523 [0,2,0,0,0,0|2,0,0]=4 13362 B14R1.40 CCCCSCCNCc1ccco1 207a_100025743550_100000186105 [0,2,0,0,0,0|0,0,0]=2 13363 B14R1.40 CCCCSCCNCc1ccco1 270004a_100025743550_100000186105 [0,2,0,0,0,0|0,0,0]=2 13364 B14R1.40 CCCCSCCNCc1cccs1 207a_100025743550_100000209959 [0,2,0,0,0,0|0,1,0]=3 13365 B14R1.40 CCCCSCCNCc1cccs1 270004a_100025743550_100000209959 [0,2,0,0,0,0|0,1,0]=3 13366 B14R1.40 CCCCSCCNCc1ccn[nH]1 2230a_100025743550_100000728653 [0,2,0,0,0,0|2,0,0]=4 13367 B14R1.40 CCCCSCCNCc1ccoc1 207a_100025743550_100011215517 [0,2,0,0,0,0|2,0,0]=4 13368 B14R1.40 CCCCSCCNCc1ccoc1 270004a_100025743550_100011215517 [0,2,0,0,0,0|2,0,0]=4 13369 B14R1.40 CCCCSCCNCc1ccon1 2230a_100025743550_100000234950 [0,2,0,0,0,0|2,0,0]=4 13370 B14R1.40 CCCCSCCNCc1ccsc1 207a_100025743550_100000188534 [0,2,0,0,0,0|2,0,0]=4 13371 B14R1.40 CCCCSCCNCc1ccsc1 2230a_100025743550_100011261437 [0,2,0,0,0,0|2,0,0]=4 13372 B14R1.40 CCCCSCCNCc1ccsc1 270004a_100025743550_100000188534 [0,2,0,0,0,0|2,0,0]=4 13373 B14R1.40 CCCCSCCNCc1cnc[nH]1 207a_100025743550_100000742939 [0,2,0,0,0,0|2,0,0]=4 13374 B14R1.40 CCCCSCCNCc1cnco1 270004a_100025743550_100000064291 [0,2,0,0,0,0|1,0,0]=3 13375 B14R1.40 CCCCSCCNCc1cncs1 207a_100025743550_100000749870 [0,2,0,0,0,0|1,1,0]=4 13376 B14R1.40 CCCCSCCNCc1cncs1 2230a_100025743550_100015185245 [0,2,0,0,0,0|1,1,0]=4 13377 B14R1.40 CCCCSCCNCc1cncs1 270004a_100025743550_100000749870 [0,2,0,0,0,0|1,1,0]=4 13378 B14R1.40 CCCCSCCNCc1cocn1 270004a_100025743550_100000050382 [0,2,0,0,0,0|2,0,0]=4 13379 B14R1.40 CCCCSCCNCc1cscn1 207a_100025743550_100000743575 [0,2,0,0,0,0|2,0,0]=4 13380 B14R1.40 CCCCSCCNCc1cscn1 2230a_100025743550_100000205941 [0,2,0,0,0,0|2,0,0]=4 13381 B14R1.40 CCCCSCCNCc1cscn1 270004a_100025743550_100000743575 [0,2,0,0,0,0|2,0,0]=4 13382 B14R1.40 CCCCSCCNCc1ncc[nH]1 207a_100025743550_100000743867 [0,2,0,0,0,0|2,0,0]=4 13383 B14R1.40 CCCCSCCNCc1ncc[nH]1 2230a_100025743550_100016991755 [0,2,0,0,0,0|2,0,0]=4 13384 B14R1.40 CCCCSCCNCc1ncco1 2230a_100025743550_103436540062 [0,2,0,0,0,0|1,0,0]=3 13385 B14R1.40 CCCCSCCNCc1ncco1 270004a_100025743550_100000064290 [0,2,0,0,0,0|1,0,0]=3 13386 B14R1.40 CCCCSCCNCc1nccs1 207a_100025743550_100000750902 [0,2,0,0,0,0|1,1,0]=4 13387 B14R1.40 CCCCSCCNCc1nccs1 2230a_100025743550_100015184050 [0,2,0,0,0,0|1,1,0]=4 13388 B14R1.40 CCCCSCCNCc1nccs1 270004a_100025743550_100000750902 [0,2,0,0,0,0|1,1,0]=4 13389 B14R1.40 CCCCSCCOCc1c[nH]cn1 34a_200000230436_100000707719 [0,2,0,0,0,0|2,0,0]=4 13390 B14R1.40 CCCCSCCOCc1ccn[nH]1 34a_200000230436_100000728653 [0,2,0,0,0,0|2,0,0]=4 13391 B14R1.40 CCCCSCCOCc1ccn[nH]1 7a_200000230436_100000728653 [0,2,0,0,0,0|2,0,0]=4 13392 B14R1.40 CCCCSCCOCc1ccon1 34a_200000230436_100000234950 [0,2,0,0,0,0|2,0,0]=4 13393 B14R1.40 CCCCSCCOCc1ccon1 7a_200000230436_100000234950 [0,2,0,0,0,0|2,0,0]=4 13394 B14R1.40 CCCCSCCOCc1ccsc1 34a_200000230436_100011261437 [0,2,0,0,0,0|2,0,0]=4 13395 B14R1.40 CCCCSCCOCc1ccsc1 7a_200000230436_100011261437 [0,2,0,0,0,0|2,0,0]=4 13396 B14R1.40 CCCCSCCOCc1cncs1 34a_200000230436_100015185245 [0,2,0,0,0,0|1,1,0]=4 13397 B14R1.40 CCCCSCCOCc1cncs1 7a_200000230436_100015185245 [0,2,0,0,0,0|1,1,0]=4 13398 B14R1.40 CCCCSCCOCc1cscn1 34a_200000230436_100000205941 [0,2,0,0,0,0|2,0,0]=4 13399 B14R1.40 CCCCSCCOCc1cscn1 7a_200000230436_100000205941 [0,2,0,0,0,0|2,0,0]=4 13400 B14R1.40 CCCCSCCOCc1ncc[nH]1 34a_200000230436_100016991755 [0,2,0,0,0,0|2,0,0]=4 13401 B14R1.40 CCCCSCCOCc1ncc[nH]1 7a_200000230436_100000753453 [0,2,0,0,0,0|2,0,0]=4 13402 B14R1.40 CCCCSCCOCc1ncco1 34a_200000230436_103436540062 [0,2,0,0,0,0|1,0,0]=3 13403 B14R1.40 CCCCSCCOCc1ncco1 7a_200000230436_103436540062 [0,2,0,0,0,0|1,0,0]=3 13404 B14R1.40 CCCCSCCOCc1nccs1 34a_200000230436_100015184050 [0,2,0,0,0,0|1,1,0]=4 13405 B14R1.40 CCCCSCCOCc1nccs1 7a_200000230436_100015184050 [0,2,0,0,0,0|1,1,0]=4 13406 B14R1.40 CCCOCCCNCc1c[nH]cn1 2230a_100011217757_100000707719 [0,2,0,0,0,0|2,0,0]=4 13407 B14R1.40 CCCOCCCNCc1c[nH]cn1 34a_100011217757_100000707719 [0,2,0,0,0,0|2,0,0]=4 13408 B14R1.40 CCCOCCCNCc1cc[nH]n1 207a_100011217757_100000738523 [0,2,0,0,0,0|2,0,0]=4 13409 B14R1.40 CCCOCCCNCc1cc[nH]n1 270004a_100011217757_100000738523 [0,2,0,0,0,0|2,0,0]=4 13410 B14R1.40 CCCOCCCNCc1ccco1 207a_100011217757_100000186105 [0,2,0,0,0,0|0,0,0]=2 13411 B14R1.40 CCCOCCCNCc1ccco1 270004a_100011217757_100000186105 [0,2,0,0,0,0|0,0,0]=2 13412 B14R1.40 CCCOCCCNCc1cccs1 207a_100011217757_100000209959 [0,2,0,0,0,0|0,1,0]=3 13413 B14R1.40 CCCOCCCNCc1cccs1 270004a_100011217757_100000209959 [0,2,0,0,0,0|0,1,0]=3 13414 B14R1.40 CCCOCCCNCc1cccs1 34a_100015187169_100000210303 [0,2,0,0,0,0|0,1,0]=3 13415 B14R1.40 CCCOCCCNCc1ccn[nH]1 2230a_100011217757_100000728653 [0,2,0,0,0,0|2,0,0]=4 13416 B14R1.40 CCCOCCCNCc1ccn[nH]1 34a_100011217757_100000728653 [0,2,0,0,0,0|2,0,0]=4 13417 B14R1.40 CCCOCCCNCc1ccoc1 207a_100011217757_100011215517 [0,2,0,0,0,0|2,0,0]=4 13418 B14R1.40 CCCOCCCNCc1ccoc1 270004a_100011217757_100011215517 [0,2,0,0,0,0|2,0,0]=4 13419 B14R1.40 CCCOCCCNCc1ccon1 2230a_100011217757_100000234950 [0,2,0,0,0,0|2,0,0]=4 13420 B14R1.40 CCCOCCCNCc1ccon1 34a_100011217757_100000234950 [0,2,0,0,0,0|2,0,0]=4 13421 B14R1.40 CCCOCCCNCc1ccsc1 207a_100011217757_100000188534 [0,2,0,0,0,0|2,0,0]=4 13422 B14R1.40 CCCOCCCNCc1ccsc1 2230a_100011217757_100011261437 [0,2,0,0,0,0|2,0,0]=4 13423 B14R1.40 CCCOCCCNCc1ccsc1 270004a_100011217757_100000188534 [0,2,0,0,0,0|2,0,0]=4 13424 B14R1.40 CCCOCCCNCc1ccsc1 34a_100011217757_100011261437 [0,2,0,0,0,0|2,0,0]=4 13425 B14R1.40 CCCOCCCNCc1cnc[nH]1 207a_100011217757_100000742939 [0,2,0,0,0,0|2,0,0]=4 13426 B14R1.40 CCCOCCCNCc1cnco1 270004a_100011217757_100000064291 [0,2,0,0,0,0|1,0,0]=3 13427 B14R1.40 CCCOCCCNCc1cncs1 207a_100011217757_100000749870 [0,2,0,0,0,0|1,1,0]=4 13428 B14R1.40 CCCOCCCNCc1cncs1 2230a_100011217757_100015185245 [0,2,0,0,0,0|1,1,0]=4 13429 B14R1.40 CCCOCCCNCc1cncs1 270004a_100011217757_100000749870 [0,2,0,0,0,0|1,1,0]=4 13430 B14R1.40 CCCOCCCNCc1cncs1 34a_100011217757_100015185245 [0,2,0,0,0,0|1,1,0]=4 13431 B14R1.40 CCCOCCCNCc1cocn1 270004a_100011217757_100000050382 [0,2,0,0,0,0|2,0,0]=4 13432 B14R1.40 CCCOCCCNCc1cscn1 207a_100011217757_100000743575 [0,2,0,0,0,0|2,0,0]=4 13433 B14R1.40 CCCOCCCNCc1cscn1 2230a_100011217757_100000205941 [0,2,0,0,0,0|2,0,0]=4 13434 B14R1.40 CCCOCCCNCc1cscn1 270004a_100011217757_100000743575 [0,2,0,0,0,0|2,0,0]=4 13435 B14R1.40 CCCOCCCNCc1cscn1 34a_100011217757_100000205941 [0,2,0,0,0,0|2,0,0]=4 13436 B14R1.40 CCCOCCCNCc1ncc[nH]1 207a_100011217757_100000743867 [0,2,0,0,0,0|2,0,0]=4 13437 B14R1.40 CCCOCCCNCc1ncc[nH]1 2230a_100011217757_100016991755 [0,2,0,0,0,0|2,0,0]=4 13438 B14R1.40 CCCOCCCNCc1ncc[nH]1 34a_100011217757_100016991755 [0,2,0,0,0,0|2,0,0]=4 13439 B14R1.40 CCCOCCCNCc1ncco1 2230a_100011217757_103436540062 [0,2,0,0,0,0|1,0,0]=3 13440 B14R1.40 CCCOCCCNCc1ncco1 270004a_100011217757_100000064290 [0,2,0,0,0,0|1,0,0]=3 13441 B14R1.40 CCCOCCCNCc1ncco1 34a_100011217757_103436540062 [0,2,0,0,0,0|1,0,0]=3 13442 B14R1.40 CCCOCCCNCc1nccs1 207a_100011217757_100000750902 [0,2,0,0,0,0|1,1,0]=4 13443 B14R1.40 CCCOCCCNCc1nccs1 2230a_100011217757_100015184050 [0,2,0,0,0,0|1,1,0]=4 13444 B14R1.40 CCCOCCCNCc1nccs1 270004a_100011217757_100000750902 [0,2,0,0,0,0|1,1,0]=4 13445 B14R1.40 CCCOCCCNCc1nccs1 34a_100011217757_100015184050 [0,2,0,0,0,0|1,1,0]=4 13446 B14R1.40 CCCOCCNCCc1c[nH]cn1 2230a_100161115042_100020628418 [0,2,0,0,0,0|2,0,0]=4 13447 B14R1.40 CCCOCCNCCc1ccco1 2230a_100000694680_100011215938 [0,2,0,0,0,0|0,0,0]=2 13448 B14R1.40 CCCOCCNCCc1ccco1 34a_100000694680_100011215938 [0,2,0,0,0,0|0,0,0]=2 13449 B14R1.40 CCCOCCNCCc1cccs1 2230a_100000203755_100011215938 [0,2,0,0,0,0|0,1,0]=3 13450 B14R1.40 CCCOCCNCCc1cccs1 2230a_100161115042_100000748579 [0,2,0,0,0,0|0,1,0]=3 13451 B14R1.40 CCCOCCNCCc1cccs1 34a_100000203755_100011215938 [0,2,0,0,0,0|0,1,0]=3 13452 B14R1.40 CCCOCCNCCc1cccs1 34a_100161115042_100000748579 [0,2,0,0,0,0|0,1,0]=3 13453 B14R1.40 CCCOCCNCCc1ccsc1 2230a_100000692642_100011215938 [0,2,0,0,0,0|2,0,0]=4 13454 B14R1.40 CCCOCCNCCc1ccsc1 34a_100000692642_100011215938 [0,2,0,0,0,0|2,0,0]=4 13455 B14R1.40 CCCOCCNCCc1cncs1 2230a_100016991637_100011215938 [0,2,0,0,0,0|1,1,0]=4 13456 B14R1.40 CCCOCCNCCc1nccs1 2230a_100015186391_100011215938 [0,2,0,0,0,0|1,1,0]=4 13457 B14R1.40 CCCOCCNCCn1cccc1 2230a_100161115042_200009811947 [0,2,0,0,0,0|2,0,0]=4 13458 B14R1.40 CCCOCCNCCn1cccc1 34a_100011368172_100011215938 [0,2,0,0,0,0|2,0,0]=4 13459 B14R1.40 CCCOCCNCCn1cccn1 2230a_100011200920_100011215938 [0,2,0,0,0,0|2,0,0]=4 13460 B14R1.40 CCCOCCNCCn1cccn1 2230a_100161115042_100000685285 [0,2,0,0,0,0|2,0,0]=4 13461 B14R1.40 CCCOCCNCCn1cccn1 34a_100161115042_100015204718 [0,2,0,0,0,0|2,0,0]=4 13462 B14R1.40 CCCOCCOCCc1c[nH]cn1 7a_100000752267_100020628418 [0,2,0,0,0,0|2,0,0]=4 13463 B14R1.40 CCCOCCOCCc1cccs1 34a_100000752267_100000748579 [0,2,0,0,0,0|0,1,0]=3 13464 B14R1.40 CCCOCCOCCc1cccs1 34a_100011216825_100011215938 [0,2,0,0,0,0|0,1,0]=3 13465 B14R1.40 CCCOCCOCCc1cccs1 7a_100000752267_100000748579 [0,2,0,0,0,0|0,1,0]=3 13466 B14R1.40 CCCOCCOCCc1cccs1 7a_100011216825_100011215938 [0,2,0,0,0,0|0,1,0]=3 13467 B14R1.40 CCCOCCOCCc1ccsc1 34a_100000748821_100011215938 [0,2,0,0,0,0|2,0,0]=4 13468 B14R1.40 CCCOCCOCCc1ncc[nH]1 34a_103549771195_100011215938 [0,2,0,0,0,0|2,0,0]=4 13469 B14R1.40 CCCOCCOCCn1cccc1 34a_100000179382_100011215938 [0,2,0,0,0,0|2,0,0]=4 13470 B14R1.40 CCCOCCOCCn1cccc1 7a_100000752267_200000035178 [0,2,0,0,0,0|2,0,0]=4 13471 B14R1.40 CCCOCCOCCn1cccn1 34a_100000743371_100011215938 [0,2,0,0,0,0|2,0,0]=4 13472 B14R1.40 CCCOCCOCCn1cccn1 34a_100000752267_100015204718 [0,2,0,0,0,0|2,0,0]=4 13473 B14R1.40 CCCOCCOCCn1cccn1 7a_100000752267_100000685285 [0,2,0,0,0,0|2,0,0]=4 13474 B14R1.40 CCCOCCSCCc1c[nH]cn1 62a_100011215938_100020628418 [0,2,0,0,0,0|2,0,0]=4 13475 B14R1.40 CCCOCCSCCc1c[nH]cn1 62a_100020628418_100011215938 [0,2,0,0,0,0|2,0,0]=4 13476 B14R1.40 CCCOCCSCCc1cccs1 62a_100000748579_100011215938 [0,2,0,0,0,0|0,1,0]=3 13477 B14R1.40 CCCOCCSCCc1cccs1 62a_100011215938_100000748579 [0,2,0,0,0,0|0,1,0]=3 13478 B14R1.40 CCCOCCSCCn1cccc1 62a_100011215938_200000035178 [0,2,0,0,0,0|2,0,0]=4 13479 B14R1.40 CCCOCCSCCn1cccc1 62a_200009811947_100011215938 [0,2,0,0,0,0|2,0,0]=4 13480 B14R1.40 CCCOCCSCCn1cccn1 62a_100011215938_100000685285 [0,2,0,0,0,0|2,0,0]=4 13481 B14R1.40 CCCOCCSCCn1cccn1 62a_100015204718_100011215938 [0,2,0,0,0,0|2,0,0]=4 13482 B14R1.40 CCCSCCNCCc1c[nH]cn1 2230a_100020603323_100020628418 [0,2,0,0,0,0|2,0,0]=4 13483 B14R1.40 CCCSCCNCCc1cccs1 2230a_100020603323_100000748579 [0,2,0,0,0,0|0,1,0]=3 13484 B14R1.40 CCCSCCNCCn1cccc1 2230a_100020603323_200009811947 [0,2,0,0,0,0|2,0,0]=4 13485 B14R1.40 CCCSCCNCCn1cccn1 2230a_100020603323_100000685285 [0,2,0,0,0,0|2,0,0]=4 13486 B14R1.40 CCCSCCOCCc1c[nH]cn1 7a_200000230433_100020628418 [0,2,0,0,0,0|2,0,0]=4 13487 B14R1.40 CCCSCCOCCc1cccs1 34a_200000230433_100000748579 [0,2,0,0,0,0|0,1,0]=3 13488 B14R1.40 CCCSCCOCCc1cccs1 7a_200000230433_100000748579 [0,2,0,0,0,0|0,1,0]=3 13489 B14R1.40 CCCSCCOCCn1cccc1 7a_200000230433_200000035178 [0,2,0,0,0,0|2,0,0]=4 13490 B14R1.40 CCCSCCOCCn1cccn1 34a_200000230433_100015204718 [0,2,0,0,0,0|2,0,0]=4 13491 B14R1.40 CCCSCCOCCn1cccn1 7a_200000230433_100000685285 [0,2,0,0,0,0|2,0,0]=4 13492 B14R1.40 CCOCCCNCCc1c[nH]cn1 2230a_100000210961_100020628418 [0,2,0,0,0,0|2,0,0]=4 13493 B14R1.40 CCOCCCNCCc1ccco1 2230a_100000694680_100012232248 [0,2,0,0,0,0|0,0,0]=2 13494 B14R1.40 CCOCCCNCCc1ccco1 34a_100000694680_100012232248 [0,2,0,0,0,0|0,0,0]=2 13495 B14R1.40 CCOCCCNCCc1cccs1 2230a_100000203755_100012232248 [0,2,0,0,0,0|0,1,0]=3 13496 B14R1.40 CCOCCCNCCc1cccs1 2230a_100000210961_100000748579 [0,2,0,0,0,0|0,1,0]=3 13497 B14R1.40 CCOCCCNCCc1cccs1 34a_100000203755_100012232248 [0,2,0,0,0,0|0,1,0]=3 13498 B14R1.40 CCOCCCNCCc1cccs1 34a_100000210961_100000748579 [0,2,0,0,0,0|0,1,0]=3 13499 B14R1.40 CCOCCCNCCc1ccsc1 2230a_100000692642_100012232248 [0,2,0,0,0,0|2,0,0]=4 13500 B14R1.40 CCOCCCNCCc1ccsc1 34a_100000692642_100012232248 [0,2,0,0,0,0|2,0,0]=4 13501 B14R1.40 CCOCCCNCCc1cncs1 2230a_100016991637_100012232248 [0,2,0,0,0,0|1,1,0]=4 13502 B14R1.40 CCOCCCNCCc1nccs1 2230a_100015186391_100012232248 [0,2,0,0,0,0|1,1,0]=4 13503 B14R1.40 CCOCCCNCCn1cccc1 2230a_100000210961_200009811947 [0,2,0,0,0,0|2,0,0]=4 13504 B14R1.40 CCOCCCNCCn1cccc1 34a_100011368172_100012232248 [0,2,0,0,0,0|2,0,0]=4 13505 B14R1.40 CCOCCCNCCn1cccn1 2230a_100000210961_100000685285 [0,2,0,0,0,0|2,0,0]=4 13506 B14R1.40 CCOCCCNCCn1cccn1 2230a_100011200920_100012232248 [0,2,0,0,0,0|2,0,0]=4 13507 B14R1.40 CCOCCCNCCn1cccn1 34a_100000210961_100015204718 [0,2,0,0,0,0|2,0,0]=4 13508 B14R1.40 CCOCCCOCCc1c[nH]cn1 7a_100000757476_100020628418 [0,2,0,0,0,0|2,0,0]=4 13509 B14R1.40 CCOCCCOCCc1cccs1 34a_100000757476_100000748579 [0,2,0,0,0,0|0,1,0]=3 13510 B14R1.40 CCOCCCOCCc1cccs1 34a_100011216825_100012232248 [0,2,0,0,0,0|0,1,0]=3 13511 B14R1.40 CCOCCCOCCc1cccs1 7a_100000757476_100000748579 [0,2,0,0,0,0|0,1,0]=3 13512 B14R1.40 CCOCCCOCCc1cccs1 7a_100011216825_100012232248 [0,2,0,0,0,0|0,1,0]=3 13513 B14R1.40 CCOCCCOCCc1ccsc1 34a_100000748821_100012232248 [0,2,0,0,0,0|2,0,0]=4 13514 B14R1.40 CCOCCCOCCc1ncc[nH]1 34a_103549771195_100012232248 [0,2,0,0,0,0|2,0,0]=4 13515 B14R1.40 CCOCCCOCCn1cccc1 34a_100000179382_100012232248 [0,2,0,0,0,0|2,0,0]=4 13516 B14R1.40 CCOCCCOCCn1cccc1 7a_100000757476_200000035178 [0,2,0,0,0,0|2,0,0]=4 13517 B14R1.40 CCOCCCOCCn1cccn1 34a_100000743371_100012232248 [0,2,0,0,0,0|2,0,0]=4 13518 B14R1.40 CCOCCCOCCn1cccn1 34a_100000757476_100015204718 [0,2,0,0,0,0|2,0,0]=4 13519 B14R1.40 CCOCCCOCCn1cccn1 7a_100000757476_100000685285 [0,2,0,0,0,0|2,0,0]=4 13520 B14R1.40 CCOCCCSCCc1c[nH]cn1 62a_100012232248_100020628418 [0,2,0,0,0,0|2,0,0]=4 13521 B14R1.40 CCOCCCSCCc1c[nH]cn1 62a_100020628418_100012232248 [0,2,0,0,0,0|2,0,0]=4 13522 B14R1.40 CCOCCCSCCc1cccs1 62a_100000748579_100012232248 [0,2,0,0,0,0|0,1,0]=3 13523 B14R1.40 CCOCCCSCCc1cccs1 62a_100012232248_100000748579 [0,2,0,0,0,0|0,1,0]=3 13524 B14R1.40 CCOCCCSCCn1cccc1 62a_100012232248_200000035178 [0,2,0,0,0,0|2,0,0]=4 13525 B14R1.40 CCOCCCSCCn1cccc1 62a_200009811947_100012232248 [0,2,0,0,0,0|2,0,0]=4 13526 B14R1.40 CCOCCCSCCn1cccn1 62a_100012232248_100000685285 [0,2,0,0,0,0|2,0,0]=4 13527 B14R1.40 CCOCCCSCCn1cccn1 62a_100015204718_100012232248 [0,2,0,0,0,0|2,0,0]=4 13528 B14R1.40 CCOCCNCC=Cc1ccco1 270004a_102516460346_100000185671 [0,2,0,0,0,0|0,0,2]=4 13529 B14R1.40 CCOCCNCCCc1cccs1 2230a_102516460346_100010992444 [0,2,0,0,0,0|0,1,0]=3 13530 B14R1.40 CCOCCNCCCc1cccs1 34a_102516460346_100010992444 [0,2,0,0,0,0|0,1,0]=3 13531 B14R1.40 CCOCCNCCCn1cccc1 2230a_102516460346_200009814367 [0,2,0,0,0,0|2,0,0]=4 13532 B14R1.40 CCOCCNCCCn1cccc1 34a_102516460346_200009814367 [0,2,0,0,0,0|2,0,0]=4 13533 B14R1.40 CCOCCNCCCn1cccn1 2230a_102516460346_100000739983 [0,2,0,0,0,0|2,0,0]=4 13534 B14R1.40 CCOCCOCCCc1cccs1 34a_100000210136_100010992444 [0,2,0,0,0,0|0,1,0]=3 13535 B14R1.40 CCOCCOCCCc1cccs1 34a_100011713143_100000210147 [0,2,0,0,0,0|0,1,0]=3 13536 B14R1.40 CCOCCOCCCc1cccs1 7a_100000210136_100010992444 [0,2,0,0,0,0|0,1,0]=3 13537 B14R1.40 CCOCCOCCCc1cccs1 7a_100011713143_100011215890 [0,2,0,0,0,0|0,1,0]=3 13538 B14R1.40 CCOCCOCCCc1ccsc1 34a_200000699776_100000210147 [0,2,0,0,0,0|2,0,0]=4 13539 B14R1.40 CCOCCOCCCc1ccsc1 7a_200000699776_100011215890 [0,2,0,0,0,0|2,0,0]=4 13540 B14R1.40 CCOCCOCCCn1cccc1 34a_100000179399_100000210147 [0,2,0,0,0,0|2,0,0]=4 13541 B14R1.40 CCOCCOCCCn1cccc1 34a_100000210136_200009814367 [0,2,0,0,0,0|2,0,0]=4 13542 B14R1.40 CCOCCOCCCn1cccc1 7a_100000179399_100011215890 [0,2,0,0,0,0|2,0,0]=4 13543 B14R1.40 CCOCCOCCCn1cccc1 7a_100000210136_200009814367 [0,2,0,0,0,0|2,0,0]=4 13544 B14R1.40 CCOCCOCCCn1cccn1 34a_100000753614_100000210147 [0,2,0,0,0,0|2,0,0]=4 13545 B14R1.40 CCOCCOCCCn1cccn1 7a_100000210136_100000739983 [0,2,0,0,0,0|2,0,0]=4 13546 B14R1.40 CCOCCOCCSc1ccco1 62a_100009814098_100011211534 [0,2,0,0,0,0|1,0,0]=3 13547 B14R1.40 CCOCCOCCSc1ccco1 62a_100011211534_100009814098 [0,2,0,0,0,0|1,0,0]=3 13548 B14R1.40 CCOCCOCCSc1cccs1 62a_100011211534_100011215356 [0,2,0,0,0,0|1,1,0]=4 13549 B14R1.40 CCOCCOCCSc1cccs1 62a_100011215356_100011211534 [0,2,0,0,0,0|1,1,0]=4 13550 B14R1.40 CCOCCOCCSc1cnco1 62a_100011211534_100020591547 [0,2,0,0,0,0|2,0,0]=4 13551 B14R1.40 CCOCCOCCSc1cnco1 62a_100020591547_100011211534 [0,2,0,0,0,0|2,0,0]=4 13552 B14R1.40 CCOCCOCCSc1ncco1 62a_100011211534_100011787736 [0,2,0,0,0,0|2,0,0]=4 13553 B14R1.40 CCOCCOCCSc1ncco1 62a_100011787736_100011211534 [0,2,0,0,0,0|2,0,0]=4 13554 B14R1.40 CCOCCSCCCc1cccs1 62a_100000210147_100010992444 [0,2,0,0,0,0|0,1,0]=3 13555 B14R1.40 CCOCCSCCCc1cccs1 62a_100010992444_100011215890 [0,2,0,0,0,0|0,1,0]=3 13556 B14R1.40 CCOCCSCCCn1cccc1 62a_100000210147_200009814367 [0,2,0,0,0,0|2,0,0]=4 13557 B14R1.40 CCOCCSCCCn1cccc1 62a_200009814367_100011215890 [0,2,0,0,0,0|2,0,0]=4 13558 B14R1.40 CCOCCSCCCn1cccn1 62a_100000210147_100000739983 [0,2,0,0,0,0|2,0,0]=4 13559 B14R1.40 CCOCCSCCCn1cccn1 62a_100000739983_100011215890 [0,2,0,0,0,0|2,0,0]=4 13560 B14R1.40 CCSCCCOCCc1c[nH]cn1 7a_100011216438_100020628418 [0,2,0,0,0,0|2,0,0]=4 13561 B14R1.40 CCSCCCOCCc1cccs1 34a_100011216438_100000748579 [0,2,0,0,0,0|0,1,0]=3 13562 B14R1.40 CCSCCCOCCc1cccs1 7a_100011216438_100000748579 [0,2,0,0,0,0|0,1,0]=3 13563 B14R1.40 CCSCCCOCCn1cccc1 7a_100011216438_200000035178 [0,2,0,0,0,0|2,0,0]=4 13564 B14R1.40 CCSCCCOCCn1cccn1 34a_100011216438_100015204718 [0,2,0,0,0,0|2,0,0]=4 13565 B14R1.40 CCSCCCOCCn1cccn1 7a_100011216438_100000685285 [0,2,0,0,0,0|2,0,0]=4 13566 B14R1.40 CCSCCNCC=Cc1ccco1 270004a_100000106463_100000185671 [0,2,0,0,0,0|0,0,2]=4 13567 B14R1.40 CCSCCNCCCc1cccs1 2230a_100000106463_100010992444 [0,2,0,0,0,0|0,1,0]=3 13568 B14R1.40 CCSCCNCCCn1cccc1 2230a_100000106463_200009814367 [0,2,0,0,0,0|2,0,0]=4 13569 B14R1.40 CCSCCNCCCn1cccn1 2230a_100000106463_100000739983 [0,2,0,0,0,0|2,0,0]=4 13570 B14R1.40 CCSCCOCCCc1cccs1 34a_100000212035_100010992444 [0,2,0,0,0,0|0,1,0]=3 13571 B14R1.40 CCSCCOCCCc1cccs1 34a_100011713143_100000757381 [0,2,0,0,0,0|0,1,0]=3 13572 B14R1.40 CCSCCOCCCc1cccs1 7a_100000212035_100010992444 [0,2,0,0,0,0|0,1,0]=3 13573 B14R1.40 CCSCCOCCCc1cccs1 7a_100011713143_100000757381 [0,2,0,0,0,0|0,1,0]=3 13574 B14R1.40 CCSCCOCCCc1ccsc1 34a_200000699776_100000757381 [0,2,0,0,0,0|2,0,0]=4 13575 B14R1.40 CCSCCOCCCc1ccsc1 7a_200000699776_100000757381 [0,2,0,0,0,0|2,0,0]=4 13576 B14R1.40 CCSCCOCCCn1cccc1 34a_100000179399_100000757381 [0,2,0,0,0,0|2,0,0]=4 13577 B14R1.40 CCSCCOCCCn1cccc1 34a_100000212035_200009814367 [0,2,0,0,0,0|2,0,0]=4 13578 B14R1.40 CCSCCOCCCn1cccc1 7a_100000179399_100000757381 [0,2,0,0,0,0|2,0,0]=4 13579 B14R1.40 CCSCCOCCCn1cccc1 7a_100000212035_200009814367 [0,2,0,0,0,0|2,0,0]=4 13580 B14R1.40 CCSCCOCCCn1cccn1 34a_100000753614_100000757381 [0,2,0,0,0,0|2,0,0]=4 13581 B14R1.40 CCSCCOCCCn1cccn1 7a_100000212035_100000739983 [0,2,0,0,0,0|2,0,0]=4 13582 B14R1.40 CCSCCSCCCc1cccs1 62a_100000757381_100010992444 [0,2,0,0,0,0|0,1,0]=3 13583 B14R1.40 CCSCCSCCCc1cccs1 62a_100010992444_100000757381 [0,2,0,0,0,0|0,1,0]=3 13584 B14R1.40 CCSCCSCCCn1cccc1 62a_100000757381_200009814367 [0,2,0,0,0,0|2,0,0]=4 13585 B14R1.40 CCSCCSCCCn1cccc1 62a_200009814367_100000757381 [0,2,0,0,0,0|2,0,0]=4 13586 B14R1.40 CCSCCSCCCn1cccn1 62a_100000739983_100000757381 [0,2,0,0,0,0|2,0,0]=4 13587 B14R1.40 CCSCCSCCCn1cccn1 62a_100000757381_100000739983 [0,2,0,0,0,0|2,0,0]=4 13588 B14R1.40 CNCCCCCOCc1c[nH]cn1 34a_100000722520_100000707719 [0,2,0,0,0,0|2,0,0]=4 13589 B14R1.40 CNCCCCCOCc1ccn[nH]1 34a_100000722520_100000728653 [0,2,0,0,0,0|2,0,0]=4 13590 B14R1.40 CNCCCCCOCc1ccon1 34a_100000722520_100000234950 [0,2,0,0,0,0|2,0,0]=4 13591 B14R1.40 CNCCCCCOCc1ccsc1 34a_100000722520_100011261437 [0,2,0,0,0,0|2,0,0]=4 13592 B14R1.40 CNCCCCCOCc1cncs1 34a_100000722520_100015185245 [0,2,0,0,0,0|1,1,0]=4 13593 B14R1.40 CNCCCCCOCc1cscn1 34a_100000722520_100000205941 [0,2,0,0,0,0|2,0,0]=4 13594 B14R1.40 CNCCCCCOCc1ncc[nH]1 34a_100000722520_100016991755 [0,2,0,0,0,0|2,0,0]=4 13595 B14R1.40 CNCCCCCOCc1ncco1 34a_100000722520_103436540062 [0,2,0,0,0,0|1,0,0]=3 13596 B14R1.40 CNCCCCCOCc1nccs1 34a_100000722520_100015184050 [0,2,0,0,0,0|1,1,0]=4 13597 B14R1.40 CNCCCOCCCc1cccs1 34a_100000213112_100010992444 [0,2,0,0,0,0|0,1,0]=3 13598 B14R1.40 CNCCCOCCCn1cccc1 34a_100000213112_200009814367 [0,2,0,0,0,0|2,0,0]=4 13599 B14R1.40 CNCCOCCOCc1ncco1 34a_100000228057_103436540062 [0,2,0,0,0,0|2,0,0]=4 13600 B14R1.40 COCCCCCCOc1ccsc1 34a_100000106738_100011998445 [0,2,0,0,0,0|2,0,0]=4 13601 B14R1.40 COCCCCCCOc1ccsc1 7a_100000106738_100011998445 [0,2,0,0,0,0|2,0,0]=4 13602 B14R1.40 COCCCCCCSc1c[nH]cn1 62a_100000756875_100011998445 [0,2,0,0,0,0|2,0,0]=4 13603 B14R1.40 COCCCCCCSc1c[nH]cn1 62a_100011998445_100000756875 [0,2,0,0,0,0|2,0,0]=4 13604 B14R1.40 COCCCCCCSc1cc[nH]n1 62a_100000062575_100011998445 [0,2,0,0,0,0|2,0,0]=4 13605 B14R1.40 COCCCCCCSc1cc[nH]n1 62a_100011998445_100000062575 [0,2,0,0,0,0|2,0,0]=4 13606 B14R1.40 COCCCCCCSc1ccco1 62a_100009814098_100011998445 [0,2,0,0,0,0|0,0,0]=2 13607 B14R1.40 COCCCCCCSc1ccco1 62a_100011998445_100009814098 [0,2,0,0,0,0|0,0,0]=2 13608 B14R1.40 COCCCCCCSc1cccs1 62a_100011215356_100011998445 [0,2,0,0,0,0|0,1,0]=3 13609 B14R1.40 COCCCCCCSc1cccs1 62a_100011998445_100011215356 [0,2,0,0,0,0|0,1,0]=3 13610 B14R1.40 COCCCCCCSc1ccoc1 62a_100011215275_100011998445 [0,2,0,0,0,0|2,0,0]=4 13611 B14R1.40 COCCCCCCSc1ccoc1 62a_100011998445_100011215275 [0,2,0,0,0,0|2,0,0]=4 13612 B14R1.40 COCCCCCCSc1ccon1 62a_100009818083_100011998445 [0,2,0,0,0,0|2,0,0]=4 13613 B14R1.40 COCCCCCCSc1ccon1 62a_100011998445_100009818083 [0,2,0,0,0,0|2,0,0]=4 13614 B14R1.40 COCCCCCCSc1ccsc1 62a_100000738268_100011998445 [0,2,0,0,0,0|2,0,0]=4 13615 B14R1.40 COCCCCCCSc1ccsc1 62a_100011998445_100000738268 [0,2,0,0,0,0|2,0,0]=4 13616 B14R1.40 COCCCCCCSc1ccsn1 62a_100009818082_100011998445 [0,2,0,0,0,0|2,0,0]=4 13617 B14R1.40 COCCCCCCSc1ccsn1 62a_100011998445_100009818082 [0,2,0,0,0,0|2,0,0]=4 13618 B14R1.40 COCCCCCCSc1cnco1 62a_100011998445_100020591547 [0,2,0,0,0,0|1,0,0]=3 13619 B14R1.40 COCCCCCCSc1cnco1 62a_100020591547_100011998445 [0,2,0,0,0,0|1,0,0]=3 13620 B14R1.40 COCCCCCCSc1cncs1 62a_100011934649_100011998445 [0,2,0,0,0,0|1,1,0]=4 13621 B14R1.40 COCCCCCCSc1cncs1 62a_100011998445_100011934649 [0,2,0,0,0,0|1,1,0]=4 13622 B14R1.40 COCCCCCCSc1cscn1 62a_100000751502_100011998445 [0,2,0,0,0,0|2,0,0]=4 13623 B14R1.40 COCCCCCCSc1cscn1 62a_100011998445_100000751502 [0,2,0,0,0,0|2,0,0]=4 13624 B14R1.40 COCCCCCCSc1ncc[nH]1 62a_100011998445_100025796157 [0,2,0,0,0,0|2,0,0]=4 13625 B14R1.40 COCCCCCCSc1ncc[nH]1 62a_100025796157_100011998445 [0,2,0,0,0,0|2,0,0]=4 13626 B14R1.40 COCCCCCCSc1ncco1 62a_100011787736_100011998445 [0,2,0,0,0,0|1,0,0]=3 13627 B14R1.40 COCCCCCCSc1ncco1 62a_100011998445_100011787736 [0,2,0,0,0,0|1,0,0]=3 13628 B14R1.40 COCCCCCCSc1nccs1 62a_100000211983_100011998445 [0,2,0,0,0,0|1,1,0]=4 13629 B14R1.40 COCCCCCCSc1nccs1 62a_100011998445_100000211983 [0,2,0,0,0,0|1,1,0]=4 13630 B14R1.40 COCCCCCNCc1c[nH]cn1 2230a_100000747528_100000707719 [0,2,0,0,0,0|2,0,0]=4 13631 B14R1.40 COCCCCCNCc1c[nH]cn1 34a_100000747528_100000707719 [0,2,0,0,0,0|2,0,0]=4 13632 B14R1.40 COCCCCCNCc1cc[nH]n1 207a_100000747528_100000738523 [0,2,0,0,0,0|2,0,0]=4 13633 B14R1.40 COCCCCCNCc1cc[nH]n1 270004a_100000747528_100000738523 [0,2,0,0,0,0|2,0,0]=4 13634 B14R1.40 COCCCCCNCc1ccco1 207a_100000747528_100000186105 [0,2,0,0,0,0|0,0,0]=2 13635 B14R1.40 COCCCCCNCc1ccco1 270004a_100000747528_100000186105 [0,2,0,0,0,0|0,0,0]=2 13636 B14R1.40 COCCCCCNCc1cccs1 207a_100000747528_100000209959 [0,2,0,0,0,0|0,1,0]=3 13637 B14R1.40 COCCCCCNCc1cccs1 270004a_100000747528_100000209959 [0,2,0,0,0,0|0,1,0]=3 13638 B14R1.40 COCCCCCNCc1ccn[nH]1 2230a_100000747528_100000728653 [0,2,0,0,0,0|2,0,0]=4 13639 B14R1.40 COCCCCCNCc1ccn[nH]1 34a_100000747528_100000728653 [0,2,0,0,0,0|2,0,0]=4 13640 B14R1.40 COCCCCCNCc1ccoc1 207a_100000747528_100011215517 [0,2,0,0,0,0|2,0,0]=4 13641 B14R1.40 COCCCCCNCc1ccoc1 270004a_100000747528_100011215517 [0,2,0,0,0,0|2,0,0]=4 13642 B14R1.40 COCCCCCNCc1ccon1 2230a_100000747528_100000234950 [0,2,0,0,0,0|2,0,0]=4 13643 B14R1.40 COCCCCCNCc1ccon1 34a_100000747528_100000234950 [0,2,0,0,0,0|2,0,0]=4 13644 B14R1.40 COCCCCCNCc1ccsc1 207a_100000747528_100000188534 [0,2,0,0,0,0|2,0,0]=4 13645 B14R1.40 COCCCCCNCc1ccsc1 2230a_100000747528_100011261437 [0,2,0,0,0,0|2,0,0]=4 13646 B14R1.40 COCCCCCNCc1ccsc1 270004a_100000747528_100000188534 [0,2,0,0,0,0|2,0,0]=4 13647 B14R1.40 COCCCCCNCc1ccsc1 34a_100000747528_100011261437 [0,2,0,0,0,0|2,0,0]=4 13648 B14R1.40 COCCCCCNCc1cnc[nH]1 207a_100000747528_100000742939 [0,2,0,0,0,0|2,0,0]=4 13649 B14R1.40 COCCCCCNCc1cnco1 270004a_100000747528_100000064291 [0,2,0,0,0,0|1,0,0]=3 13650 B14R1.40 COCCCCCNCc1cncs1 207a_100000747528_100000749870 [0,2,0,0,0,0|1,1,0]=4 13651 B14R1.40 COCCCCCNCc1cncs1 2230a_100000747528_100015185245 [0,2,0,0,0,0|1,1,0]=4 13652 B14R1.40 COCCCCCNCc1cncs1 270004a_100000747528_100000749870 [0,2,0,0,0,0|1,1,0]=4 13653 B14R1.40 COCCCCCNCc1cncs1 34a_100000747528_100015185245 [0,2,0,0,0,0|1,1,0]=4 13654 B14R1.40 COCCCCCNCc1cocn1 270004a_100000747528_100000050382 [0,2,0,0,0,0|2,0,0]=4 13655 B14R1.40 COCCCCCNCc1cscn1 207a_100000747528_100000743575 [0,2,0,0,0,0|2,0,0]=4 13656 B14R1.40 COCCCCCNCc1cscn1 2230a_100000747528_100000205941 [0,2,0,0,0,0|2,0,0]=4 13657 B14R1.40 COCCCCCNCc1cscn1 270004a_100000747528_100000743575 [0,2,0,0,0,0|2,0,0]=4 13658 B14R1.40 COCCCCCNCc1cscn1 34a_100000747528_100000205941 [0,2,0,0,0,0|2,0,0]=4 13659 B14R1.40 COCCCCCNCc1ncc[nH]1 207a_100000747528_100000743867 [0,2,0,0,0,0|2,0,0]=4 13660 B14R1.40 COCCCCCNCc1ncc[nH]1 2230a_100000747528_100016991755 [0,2,0,0,0,0|2,0,0]=4 13661 B14R1.40 COCCCCCNCc1ncc[nH]1 34a_100000747528_100016991755 [0,2,0,0,0,0|2,0,0]=4 13662 B14R1.40 COCCCCCNCc1ncco1 2230a_100000747528_103436540062 [0,2,0,0,0,0|1,0,0]=3 13663 B14R1.40 COCCCCCNCc1ncco1 270004a_100000747528_100000064290 [0,2,0,0,0,0|1,0,0]=3 13664 B14R1.40 COCCCCCNCc1ncco1 34a_100000747528_103436540062 [0,2,0,0,0,0|1,0,0]=3 13665 B14R1.40 COCCCCCNCc1nccs1 207a_100000747528_100000750902 [0,2,0,0,0,0|1,1,0]=4 13666 B14R1.40 COCCCCCNCc1nccs1 2230a_100000747528_100015184050 [0,2,0,0,0,0|1,1,0]=4 13667 B14R1.40 COCCCCCNCc1nccs1 270004a_100000747528_100000750902 [0,2,0,0,0,0|1,1,0]=4 13668 B14R1.40 COCCCCCNCc1nccs1 34a_100000747528_100015184050 [0,2,0,0,0,0|1,1,0]=4 13669 B14R1.40 COCCCCNCCc1ccco1 2230a_100000694680_100000730899 [0,2,0,0,0,0|0,0,0]=2 13670 B14R1.40 COCCCCNCCc1ccco1 34a_100000694680_100000755781 [0,2,0,0,0,0|0,0,0]=2 13671 B14R1.40 COCCCCNCCc1cccs1 2230a_100000203755_100000730899 [0,2,0,0,0,0|0,1,0]=3 13672 B14R1.40 COCCCCNCCc1cccs1 34a_100000203755_100000755781 [0,2,0,0,0,0|0,1,0]=3 13673 B14R1.40 COCCCCNCCc1ccsc1 2230a_100000692642_100000730899 [0,2,0,0,0,0|2,0,0]=4 13674 B14R1.40 COCCCCNCCc1ccsc1 34a_100000692642_100000755781 [0,2,0,0,0,0|2,0,0]=4 13675 B14R1.40 COCCCCNCCc1cncs1 2230a_100016991637_100000730899 [0,2,0,0,0,0|1,1,0]=4 13676 B14R1.40 COCCCCNCCc1nccs1 2230a_100015186391_100000730899 [0,2,0,0,0,0|1,1,0]=4 13677 B14R1.40 COCCCCNCCn1cccc1 34a_100011368172_100000755781 [0,2,0,0,0,0|2,0,0]=4 13678 B14R1.40 COCCCCNCCn1cccn1 2230a_100011200920_100000730899 [0,2,0,0,0,0|2,0,0]=4 13679 B14R1.40 COCCCCOCCc1cccs1 34a_100000740925_100000748579 [0,2,0,0,0,0|0,1,0]=3 13680 B14R1.40 COCCCCOCCc1cccs1 34a_100011216825_100000755781 [0,2,0,0,0,0|0,1,0]=3 13681 B14R1.40 COCCCCOCCc1cccs1 7a_100011216825_100000730899 [0,2,0,0,0,0|0,1,0]=3 13682 B14R1.40 COCCCCOCCc1ccsc1 34a_100000748821_100000755781 [0,2,0,0,0,0|2,0,0]=4 13683 B14R1.40 COCCCCOCCc1ncc[nH]1 34a_103549771195_100000755781 [0,2,0,0,0,0|2,0,0]=4 13684 B14R1.40 COCCCCOCCn1cccc1 34a_100000179382_100000755781 [0,2,0,0,0,0|2,0,0]=4 13685 B14R1.40 COCCCCOCCn1cccn1 34a_100000740925_100015204718 [0,2,0,0,0,0|2,0,0]=4 13686 B14R1.40 COCCCCOCCn1cccn1 34a_100000743371_100000755781 [0,2,0,0,0,0|2,0,0]=4 13687 B14R1.40 COCCCCSCCc1c[nH]cn1 62a_100000730899_100020628418 [0,2,0,0,0,0|2,0,0]=4 13688 B14R1.40 COCCCCSCCc1c[nH]cn1 62a_100020628418_100000730899 [0,2,0,0,0,0|2,0,0]=4 13689 B14R1.40 COCCCCSCCc1cccs1 62a_100000730899_100000748579 [0,2,0,0,0,0|0,1,0]=3 13690 B14R1.40 COCCCCSCCc1cccs1 62a_100000748579_100000730899 [0,2,0,0,0,0|0,1,0]=3 13691 B14R1.40 COCCCCSCCn1cccc1 62a_100000730899_200000035178 [0,2,0,0,0,0|2,0,0]=4 13692 B14R1.40 COCCCCSCCn1cccc1 62a_200009811947_100000730899 [0,2,0,0,0,0|2,0,0]=4 13693 B14R1.40 COCCCCSCCn1cccn1 62a_100000730899_100000685285 [0,2,0,0,0,0|2,0,0]=4 13694 B14R1.40 COCCCCSCCn1cccn1 62a_100015204718_100000730899 [0,2,0,0,0,0|2,0,0]=4 13695 B14R1.40 COCCCNCC=Cc1ccco1 270004a_100150723488_100000185671 [0,2,0,0,0,0|0,0,2]=4 13696 B14R1.40 COCCCNCCCc1cccs1 34a_100150723488_100010992444 [0,2,0,0,0,0|0,1,0]=3 13697 B14R1.40 COCCCNCCCn1cccc1 34a_100150723488_200009814367 [0,2,0,0,0,0|2,0,0]=4 13698 B14R1.40 COCCCOCCCc1cccs1 34a_100000740835_100010992444 [0,2,0,0,0,0|0,1,0]=3 13699 B14R1.40 COCCCOCCCc1cccs1 34a_100011713143_100000740836 [0,2,0,0,0,0|0,1,0]=3 13700 B14R1.40 COCCCOCCCc1cccs1 7a_100011713143_100000740836 [0,2,0,0,0,0|0,1,0]=3 13701 B14R1.40 COCCCOCCCc1ccsc1 34a_200000699776_100000740836 [0,2,0,0,0,0|2,0,0]=4 13702 B14R1.40 COCCCOCCCc1ccsc1 7a_200000699776_100000740836 [0,2,0,0,0,0|2,0,0]=4 13703 B14R1.40 COCCCOCCCn1cccc1 34a_100000179399_100000740836 [0,2,0,0,0,0|2,0,0]=4 13704 B14R1.40 COCCCOCCCn1cccc1 34a_100000740835_200009814367 [0,2,0,0,0,0|2,0,0]=4 13705 B14R1.40 COCCCOCCCn1cccc1 7a_100000179399_100000740836 [0,2,0,0,0,0|2,0,0]=4 13706 B14R1.40 COCCCOCCCn1cccn1 34a_100000753614_100000740836 [0,2,0,0,0,0|2,0,0]=4 13707 B14R1.40 COCCCSCCCc1cccs1 62a_100000709357_100010992444 [0,2,0,0,0,0|0,1,0]=3 13708 B14R1.40 COCCCSCCCc1cccs1 62a_100010992444_100000709357 [0,2,0,0,0,0|0,1,0]=3 13709 B14R1.40 COCCCSCCCn1cccc1 62a_100000709357_200009814367 [0,2,0,0,0,0|2,0,0]=4 13710 B14R1.40 COCCCSCCCn1cccc1 62a_200009814367_100000709357 [0,2,0,0,0,0|2,0,0]=4 13711 B14R1.40 COCCCSCCCn1cccn1 62a_100000709357_100000739983 [0,2,0,0,0,0|2,0,0]=4 13712 B14R1.40 COCCCSCCCn1cccn1 62a_100000739983_100000709357 [0,2,0,0,0,0|2,0,0]=4 13713 B14R1.40 COCCNCCSCc1ccco1 2230a_100000184675_100011201679 [0,2,0,0,0,0|1,0,0]=3 13714 B14R1.40 COCCNCCSCc1ccco1 7a_100000184675_100000233755 [0,2,0,0,0,0|1,0,0]=3 13715 B14R1.40 COCCOCCCSc1ccco1 62a_100009814098_100011216529 [0,2,0,0,0,0|1,0,0]=3 13716 B14R1.40 COCCOCCCSc1ccco1 62a_100011216529_100009814098 [0,2,0,0,0,0|1,0,0]=3 13717 B14R1.40 COCCOCCCSc1cccs1 62a_100011215356_100011216529 [0,2,0,0,0,0|1,1,0]=4 13718 B14R1.40 COCCOCCCSc1cccs1 62a_100011216529_100011215356 [0,2,0,0,0,0|1,1,0]=4 13719 B14R1.40 COCCOCCCSc1cnco1 62a_100011216529_100020591547 [0,2,0,0,0,0|2,0,0]=4 13720 B14R1.40 COCCOCCCSc1cnco1 62a_100020591547_100011216529 [0,2,0,0,0,0|2,0,0]=4 13721 B14R1.40 COCCOCCCSc1ncco1 62a_100011216529_100011787736 [0,2,0,0,0,0|2,0,0]=4 13722 B14R1.40 COCCOCCCSc1ncco1 62a_100011787736_100011216529 [0,2,0,0,0,0|2,0,0]=4 13723 B14R1.40 COCCOCCNCc1ccco1 207a_100000745349_100000186105 [0,2,0,0,0,0|1,0,0]=3 13724 B14R1.40 COCCOCCNCc1ccco1 2230a_100000185738_100000695917 [0,2,0,0,0,0|1,0,0]=3 13725 B14R1.40 COCCOCCNCc1ccco1 270004a_100000745349_100000186105 [0,2,0,0,0,0|1,0,0]=3 13726 B14R1.40 COCCOCCNCc1ccco1 34a_100000185738_100000695917 [0,2,0,0,0,0|1,0,0]=3 13727 B14R1.40 COCCOCCNCc1cccs1 207a_100000745349_100000209959 [0,2,0,0,0,0|1,1,0]=4 13728 B14R1.40 COCCOCCNCc1cccs1 2230a_100000211653_100000695917 [0,2,0,0,0,0|1,1,0]=4 13729 B14R1.40 COCCOCCNCc1cccs1 270004a_100000745349_100000209959 [0,2,0,0,0,0|1,1,0]=4 13730 B14R1.40 COCCOCCNCc1cnco1 270004a_100000745349_100000064291 [0,2,0,0,0,0|2,0,0]=4 13731 B14R1.40 COCCOCCNCc1ncco1 2230a_100000745349_103436540062 [0,2,0,0,0,0|2,0,0]=4 13732 B14R1.40 COCCOCCNCc1ncco1 2230a_100016994969_100000695917 [0,2,0,0,0,0|2,0,0]=4 13733 B14R1.40 COCCOCCNCc1ncco1 270004a_100000745349_100000064290 [0,2,0,0,0,0|2,0,0]=4 13734 B14R1.40 COCCOCCNCc1ncco1 34a_100000745349_103436540062 [0,2,0,0,0,0|2,0,0]=4 13735 B14R1.40 COCCOCCOCc1ccco1 34a_100000210059_100000695917 [0,2,0,0,0,0|1,0,0]=3 13736 B14R1.40 COCCOCCOCc1cccs1 34a_100000211240_100000695917 [0,2,0,0,0,0|1,1,0]=4 13737 B14R1.40 COCCOCCOCc1ccno1 34a_100000740478_100000695917 [0,2,0,0,0,0|2,0,0]=4 13738 B14R1.40 COCCOCCOCc1ncco1 34a_100000062594_100000695917 [0,2,0,0,0,0|2,0,0]=4 13739 B14R1.40 COCCOCCOCc1ncco1 34a_100011215163_103436540062 [0,2,0,0,0,0|2,0,0]=4 13740 B14R1.40 COCCOCCOCc1ncco1 7a_100011215163_103436540062 [0,2,0,0,0,0|2,0,0]=4 13741 B14R1.40 COCCOCCSCc1ncco1 62a_100000695917_103436540062 [0,2,0,0,0,0|2,0,0]=4 13742 B14R1.40 COCCOCCSCc1ncco1 62a_103436540062_100000695917 [0,2,0,0,0,0|2,0,0]=4 13743 B14R1.40 COCCOCNCCc1ccco1 2230a_100000694680_100000231047 [0,2,0,0,0,0|1,0,0]=3 13744 B14R1.40 COCCOCNCCc1cccs1 2230a_100000203755_100000231047 [0,2,0,0,0,0|1,1,0]=4 13745 B14R1.40 COCCOCSCCc1cccs1 62a_100000231047_100000748579 [0,2,0,0,0,0|1,1,0]=4 13746 B14R1.40 COCCOCSCCc1cccs1 62a_100000748579_100000231047 [0,2,0,0,0,0|1,1,0]=4 13747 B14R1.40 CSCCCCOCCc1c[nH]cn1 7a_100011217163_100020628418 [0,2,0,0,0,0|2,0,0]=4 13748 B14R1.40 CSCCCCOCCc1cccs1 34a_100011217163_100000748579 [0,2,0,0,0,0|0,1,0]=3 13749 B14R1.40 CSCCCCOCCc1cccs1 7a_100011217163_100000748579 [0,2,0,0,0,0|0,1,0]=3 13750 B14R1.40 CSCCCCOCCn1cccc1 7a_100011217163_200000035178 [0,2,0,0,0,0|2,0,0]=4 13751 B14R1.40 CSCCCCOCCn1cccn1 34a_100011217163_100015204718 [0,2,0,0,0,0|2,0,0]=4 13752 B14R1.40 CSCCCCOCCn1cccn1 7a_100011217163_100000685285 [0,2,0,0,0,0|2,0,0]=4 13753 B14R1.40 CSCCCNCC=Cc1ccco1 270004a_100000749238_100000185671 [0,2,0,0,0,0|0,0,2]=4 13754 B14R1.40 CSCCCNCCCc1cccs1 2230a_100000749238_100010992444 [0,2,0,0,0,0|0,1,0]=3 13755 B14R1.40 CSCCCNCCCn1cccc1 2230a_100000749238_200009814367 [0,2,0,0,0,0|2,0,0]=4 13756 B14R1.40 CSCCCNCCCn1cccn1 2230a_100000749238_100000739983 [0,2,0,0,0,0|2,0,0]=4 13757 B14R1.40 CSCCCOCCCc1cccs1 34a_100000690336_100010992444 [0,2,0,0,0,0|0,1,0]=3 13758 B14R1.40 CSCCCOCCCc1cccs1 7a_100000690336_100010992444 [0,2,0,0,0,0|0,1,0]=3 13759 B14R1.40 CSCCCOCCCn1cccc1 34a_100000690336_200009814367 [0,2,0,0,0,0|2,0,0]=4 13760 B14R1.40 CSCCCOCCCn1cccc1 7a_100000690336_200009814367 [0,2,0,0,0,0|2,0,0]=4 13761 B14R1.40 CSCCCOCCCn1cccn1 7a_100000690336_100000739983 [0,2,0,0,0,0|2,0,0]=4 13762 B14R1.40 CSCCNCCSCc1ccco1 2230a_100000184675_100000751147 [0,2,0,0,0,0|1,0,0]=3 13763 B14R1.40 CSCCNCCSCc1ccco1 7a_100000184675_100000212216 [0,2,0,0,0,0|1,0,0]=3 13764 B14R1.40 CSCOCCCNCc1cccs1 34a_100015187169_100011218213 [0,2,0,0,0,0|1,1,0]=4 13765 B14R1.40 ClCCCCCCOCc1c[nH]cn1 34a_100000766143_100000707719 [0,2,0,0,0,0|2,0,0]=4 13766 B14R1.40 ClCCCCCCOCc1ccn[nH]1 34a_100000766143_100000728653 [0,2,0,0,0,0|2,0,0]=4 13767 B14R1.40 ClCCCCCCOCc1ccn[nH]1 7a_100000766143_100000728653 [0,2,0,0,0,0|2,0,0]=4 13768 B14R1.40 ClCCCCCCOCc1ccon1 34a_100000766143_100000234950 [0,2,0,0,0,0|2,0,0]=4 13769 B14R1.40 ClCCCCCCOCc1ccon1 7a_100000766143_100000234950 [0,2,0,0,0,0|2,0,0]=4 13770 B14R1.40 ClCCCCCCOCc1ccsc1 34a_100000766143_100011261437 [0,2,0,0,0,0|2,0,0]=4 13771 B14R1.40 ClCCCCCCOCc1ccsc1 7a_100000766143_100011261437 [0,2,0,0,0,0|2,0,0]=4 13772 B14R1.40 ClCCCCCCOCc1cncs1 34a_100000766143_100015185245 [0,2,0,0,0,0|1,1,0]=4 13773 B14R1.40 ClCCCCCCOCc1cncs1 7a_100000766143_100015185245 [0,2,0,0,0,0|1,1,0]=4 13774 B14R1.40 ClCCCCCCOCc1cscn1 34a_100000766143_100000205941 [0,2,0,0,0,0|2,0,0]=4 13775 B14R1.40 ClCCCCCCOCc1cscn1 7a_100000766143_100000205941 [0,2,0,0,0,0|2,0,0]=4 13776 B14R1.40 ClCCCCCCOCc1ncc[nH]1 34a_100000766143_100016991755 [0,2,0,0,0,0|2,0,0]=4 13777 B14R1.40 ClCCCCCCOCc1ncc[nH]1 7a_100000766143_100000753453 [0,2,0,0,0,0|2,0,0]=4 13778 B14R1.40 ClCCCCCCOCc1ncco1 34a_100000766143_103436540062 [0,2,0,0,0,0|1,0,0]=3 13779 B14R1.40 ClCCCCCCOCc1ncco1 7a_100000766143_103436540062 [0,2,0,0,0,0|1,0,0]=3 13780 B14R1.40 ClCCCCCCOCc1nccs1 34a_100000766143_100015184050 [0,2,0,0,0,0|1,1,0]=4 13781 B14R1.40 ClCCCCCCOCc1nccs1 7a_100000766143_100015184050 [0,2,0,0,0,0|1,1,0]=4 13782 B14R1.40 ClCCCCCOCCc1c[nH]cn1 7a_100000746330_100020628418 [0,2,0,0,0,0|2,0,0]=4 13783 B14R1.40 ClCCCCCOCCc1cccs1 34a_100000746330_100000748579 [0,2,0,0,0,0|0,1,0]=3 13784 B14R1.40 ClCCCCCOCCc1cccs1 7a_100000746330_100000748579 [0,2,0,0,0,0|0,1,0]=3 13785 B14R1.40 ClCCCCCOCCn1cccc1 7a_100000746330_200000035178 [0,2,0,0,0,0|2,0,0]=4 13786 B14R1.40 ClCCCCCOCCn1cccn1 34a_100000746330_100015204718 [0,2,0,0,0,0|2,0,0]=4 13787 B14R1.40 ClCCCCCOCCn1cccn1 7a_100000746330_100000685285 [0,2,0,0,0,0|2,0,0]=4 13788 B14R1.40 ClCCCCOCCCc1cccs1 34a_100000210776_100010992444 [0,2,0,0,0,0|0,1,0]=3 13789 B14R1.40 ClCCCCOCCCc1cccs1 7a_100000210776_100010992444 [0,2,0,0,0,0|0,1,0]=3 13790 B14R1.40 ClCCCCOCCCn1cccc1 34a_100000210776_200009814367 [0,2,0,0,0,0|2,0,0]=4 13791 B14R1.40 ClCCCCOCCCn1cccc1 7a_100000210776_200009814367 [0,2,0,0,0,0|2,0,0]=4 13792 B14R1.40 ClCCCCOCCCn1cccn1 7a_100000210776_100000739983 [0,2,0,0,0,0|2,0,0]=4 13793 B14R1.40 ClCCOCCOCCc1cccs1 34a_100011215305_100000748579 [0,2,0,0,0,0|1,1,0]=4 13794 B14R1.40 ClCCOCCOCCc1cccs1 7a_100011215305_100000748579 [0,2,0,0,0,0|1,1,0]=4 13795 B14R1.40 FCCCCCCNCc1ccco1 2230a_100000185738_100015922095 [0,2,0,0,0,0|0,0,0]=2 13796 B14R1.40 FCCCCCCNCc1ccco1 34a_100000185738_100015922095 [0,2,0,0,0,0|0,0,0]=2 13797 B14R1.40 FCCCCCCNCc1cccs1 2230a_100000211653_100015922095 [0,2,0,0,0,0|0,1,0]=3 13798 B14R1.40 FCCCCCCNCc1ccoc1 2230a_100015206860_100015922095 [0,2,0,0,0,0|2,0,0]=4 13799 B14R1.40 FCCCCCCNCc1ccoc1 34a_100015206860_100015922095 [0,2,0,0,0,0|2,0,0]=4 13800 B14R1.40 FCCCCCCNCc1ccsc1 2230a_100000186416_100015922095 [0,2,0,0,0,0|2,0,0]=4 13801 B14R1.40 FCCCCCCNCc1ccsc1 34a_100000186416_100015922095 [0,2,0,0,0,0|2,0,0]=4 13802 B14R1.40 FCCCCCCNCc1cncs1 2230a_100016987365_100015922095 [0,2,0,0,0,0|1,1,0]=4 13803 B14R1.40 FCCCCCCNCc1cscn1 2230a_100015185402_100015922095 [0,2,0,0,0,0|2,0,0]=4 13804 B14R1.40 FCCCCCCNCc1ncco1 2230a_100016994969_100015922095 [0,2,0,0,0,0|1,0,0]=3 13805 B14R1.40 FCCCCCCNCc1nccs1 2230a_100000740555_100015922095 [0,2,0,0,0,0|1,1,0]=4 13806 B14R1.40 FCCCCCCOCc1c[nH]cn1 34a_100000732779_100000707719 [0,2,0,0,0,0|2,0,0]=4 13807 B14R1.40 FCCCCCCOCc1ccco1 34a_100000210059_100015922095 [0,2,0,0,0,0|0,0,0]=2 13808 B14R1.40 FCCCCCCOCc1cccs1 34a_100000211240_100015922095 [0,2,0,0,0,0|0,1,0]=3 13809 B14R1.40 FCCCCCCOCc1ccn[nH]1 34a_100000732779_100000728653 [0,2,0,0,0,0|2,0,0]=4 13810 B14R1.40 FCCCCCCOCc1ccn[nH]1 7a_100000732779_100000728653 [0,2,0,0,0,0|2,0,0]=4 13811 B14R1.40 FCCCCCCOCc1ccno1 34a_100000740478_100015922095 [0,2,0,0,0,0|1,0,0]=3 13812 B14R1.40 FCCCCCCOCc1ccoc1 34a_100011215357_100015922095 [0,2,0,0,0,0|2,0,0]=4 13813 B14R1.40 FCCCCCCOCc1ccon1 34a_100000732779_100000234950 [0,2,0,0,0,0|2,0,0]=4 13814 B14R1.40 FCCCCCCOCc1ccon1 7a_100000732779_100000234950 [0,2,0,0,0,0|2,0,0]=4 13815 B14R1.40 FCCCCCCOCc1ccsc1 34a_100000732779_100011261437 [0,2,0,0,0,0|2,0,0]=4 13816 B14R1.40 FCCCCCCOCc1ccsc1 34a_100011215551_100015922095 [0,2,0,0,0,0|2,0,0]=4 13817 B14R1.40 FCCCCCCOCc1ccsc1 7a_100000732779_100011261437 [0,2,0,0,0,0|2,0,0]=4 13818 B14R1.40 FCCCCCCOCc1cncs1 34a_100000732779_100015185245 [0,2,0,0,0,0|1,1,0]=4 13819 B14R1.40 FCCCCCCOCc1cncs1 7a_100000732779_100015185245 [0,2,0,0,0,0|1,1,0]=4 13820 B14R1.40 FCCCCCCOCc1cscn1 34a_100000732779_100000205941 [0,2,0,0,0,0|2,0,0]=4 13821 B14R1.40 FCCCCCCOCc1cscn1 7a_100000732779_100000205941 [0,2,0,0,0,0|2,0,0]=4 13822 B14R1.40 FCCCCCCOCc1ncc[nH]1 34a_100000732779_100016991755 [0,2,0,0,0,0|2,0,0]=4 13823 B14R1.40 FCCCCCCOCc1ncc[nH]1 7a_100000732779_100000753453 [0,2,0,0,0,0|2,0,0]=4 13824 B14R1.40 FCCCCCCOCc1ncco1 34a_100000062594_100015922095 [0,2,0,0,0,0|1,0,0]=3 13825 B14R1.40 FCCCCCCOCc1ncco1 34a_100000732779_103436540062 [0,2,0,0,0,0|1,0,0]=3 13826 B14R1.40 FCCCCCCOCc1ncco1 7a_100000732779_103436540062 [0,2,0,0,0,0|1,0,0]=3 13827 B14R1.40 FCCCCCCOCc1nccs1 34a_100000732779_100015184050 [0,2,0,0,0,0|1,1,0]=4 13828 B14R1.40 FCCCCCCOCc1nccs1 7a_100000732779_100015184050 [0,2,0,0,0,0|1,1,0]=4 13829 B14R1.40 FCCCCCCOCn1cccn1 34a_100000731028_100015922095 [0,2,0,0,0,0|2,0,0]=4 13830 B14R1.40 FCCCCCCSCc1c[nH]cn1 62a_100000707719_100015922095 [0,2,0,0,0,0|2,0,0]=4 13831 B14R1.40 FCCCCCCSCc1c[nH]cn1 62a_100015922095_100000707719 [0,2,0,0,0,0|2,0,0]=4 13832 B14R1.40 FCCCCCCSCc1ccn[nH]1 62a_100000728653_100015922095 [0,2,0,0,0,0|2,0,0]=4 13833 B14R1.40 FCCCCCCSCc1ccn[nH]1 62a_100015922095_100000728653 [0,2,0,0,0,0|2,0,0]=4 13834 B14R1.40 FCCCCCCSCc1ccon1 62a_100000234950_100015922095 [0,2,0,0,0,0|2,0,0]=4 13835 B14R1.40 FCCCCCCSCc1ccon1 62a_100015922095_100000234950 [0,2,0,0,0,0|2,0,0]=4 13836 B14R1.40 FCCCCCCSCc1ccsc1 62a_100011261437_100015922095 [0,2,0,0,0,0|2,0,0]=4 13837 B14R1.40 FCCCCCCSCc1ccsc1 62a_100015922095_100011233845 [0,2,0,0,0,0|2,0,0]=4 13838 B14R1.40 FCCCCCCSCc1cncs1 62a_100015185245_100015922095 [0,2,0,0,0,0|1,1,0]=4 13839 B14R1.40 FCCCCCCSCc1cncs1 62a_100015922095_100015185245 [0,2,0,0,0,0|1,1,0]=4 13840 B14R1.40 FCCCCCCSCc1cscn1 62a_100000205941_100015922095 [0,2,0,0,0,0|2,0,0]=4 13841 B14R1.40 FCCCCCCSCc1cscn1 62a_100015922095_100000205941 [0,2,0,0,0,0|2,0,0]=4 13842 B14R1.40 FCCCCCCSCc1ncc[nH]1 62a_100015922095_100016991755 [0,2,0,0,0,0|2,0,0]=4 13843 B14R1.40 FCCCCCCSCc1ncc[nH]1 62a_100016991755_100015922095 [0,2,0,0,0,0|2,0,0]=4 13844 B14R1.40 FCCCCCCSCc1ncco1 62a_100015922095_103436540062 [0,2,0,0,0,0|1,0,0]=3 13845 B14R1.40 FCCCCCCSCc1ncco1 62a_103436540062_100015922095 [0,2,0,0,0,0|1,0,0]=3 13846 B14R1.40 FCCCCCCSCc1nccs1 62a_100015184050_100015922095 [0,2,0,0,0,0|1,1,0]=4 13847 B14R1.40 FCCCCCCSCc1nccs1 62a_100015922095_100015184050 [0,2,0,0,0,0|1,1,0]=4 13848 B14R1.40 FCCCCCNCCc1ccco1 2230a_100000694680_100000729378 [0,2,0,0,0,0|0,0,0]=2 13849 B14R1.40 FCCCCCNCCc1ccco1 34a_100000694680_100000729378 [0,2,0,0,0,0|0,0,0]=2 13850 B14R1.40 FCCCCCNCCc1cccs1 2230a_100000203755_100000729378 [0,2,0,0,0,0|0,1,0]=3 13851 B14R1.40 FCCCCCNCCc1cccs1 34a_100000203755_100000729378 [0,2,0,0,0,0|0,1,0]=3 13852 B14R1.40 FCCCCCNCCc1ccsc1 2230a_100000692642_100000729378 [0,2,0,0,0,0|2,0,0]=4 13853 B14R1.40 FCCCCCNCCc1ccsc1 34a_100000692642_100000729378 [0,2,0,0,0,0|2,0,0]=4 13854 B14R1.40 FCCCCCNCCc1cncs1 2230a_100016991637_100000729378 [0,2,0,0,0,0|1,1,0]=4 13855 B14R1.40 FCCCCCNCCc1nccs1 2230a_100015186391_100000729378 [0,2,0,0,0,0|1,1,0]=4 13856 B14R1.40 FCCCCCNCCn1cccc1 34a_100011368172_100000729378 [0,2,0,0,0,0|2,0,0]=4 13857 B14R1.40 FCCCCCNCCn1cccn1 2230a_100011200920_100000729378 [0,2,0,0,0,0|2,0,0]=4 13858 B14R1.40 FCCCCCOCCc1cccs1 34a_100011216825_100000729378 [0,2,0,0,0,0|0,1,0]=3 13859 B14R1.40 FCCCCCOCCc1cccs1 7a_100011216825_100000729378 [0,2,0,0,0,0|0,1,0]=3 13860 B14R1.40 FCCCCCOCCc1ccsc1 34a_100000748821_100000729378 [0,2,0,0,0,0|2,0,0]=4 13861 B14R1.40 FCCCCCOCCc1ncc[nH]1 34a_103549771195_100000729378 [0,2,0,0,0,0|2,0,0]=4 13862 B14R1.40 FCCCCCOCCn1cccc1 34a_100000179382_100000729378 [0,2,0,0,0,0|2,0,0]=4 13863 B14R1.40 FCCCCCOCCn1cccn1 34a_100000743371_100000729378 [0,2,0,0,0,0|2,0,0]=4 13864 B14R1.40 FCCCCCSCCc1c[nH]cn1 62a_100000729378_100020628418 [0,2,0,0,0,0|2,0,0]=4 13865 B14R1.40 FCCCCCSCCc1c[nH]cn1 62a_100020628418_100000729378 [0,2,0,0,0,0|2,0,0]=4 13866 B14R1.40 FCCCCCSCCc1cccs1 62a_100000729378_100000748579 [0,2,0,0,0,0|0,1,0]=3 13867 B14R1.40 FCCCCCSCCc1cccs1 62a_100000748579_100000729378 [0,2,0,0,0,0|0,1,0]=3 13868 B14R1.40 FCCCCCSCCn1cccc1 62a_100000729378_200000035178 [0,2,0,0,0,0|2,0,0]=4 13869 B14R1.40 FCCCCCSCCn1cccc1 62a_200009811947_100000729378 [0,2,0,0,0,0|2,0,0]=4 13870 B14R1.40 FCCCCCSCCn1cccn1 62a_100000729378_100000685285 [0,2,0,0,0,0|2,0,0]=4 13871 B14R1.40 FCCCCCSCCn1cccn1 62a_100015204718_100000729378 [0,2,0,0,0,0|2,0,0]=4 13872 B14R1.40 FCCCCOCCCc1cccs1 34a_100011713143_100000729493 [0,2,0,0,0,0|0,1,0]=3 13873 B14R1.40 FCCCCOCCCc1cccs1 34a_100011995726_100010992444 [0,2,0,0,0,0|0,1,0]=3 13874 B14R1.40 FCCCCOCCCc1cccs1 7a_100011713143_100000729493 [0,2,0,0,0,0|0,1,0]=3 13875 B14R1.40 FCCCCOCCCc1cccs1 7a_100011995726_100010992444 [0,2,0,0,0,0|0,1,0]=3 13876 B14R1.40 FCCCCOCCCc1ccsc1 34a_200000699776_100000729493 [0,2,0,0,0,0|2,0,0]=4 13877 B14R1.40 FCCCCOCCCc1ccsc1 7a_200000699776_100000729493 [0,2,0,0,0,0|2,0,0]=4 13878 B14R1.40 FCCCCOCCCn1cccc1 34a_100000179399_100000729493 [0,2,0,0,0,0|2,0,0]=4 13879 B14R1.40 FCCCCOCCCn1cccc1 34a_100011995726_200009814367 [0,2,0,0,0,0|2,0,0]=4 13880 B14R1.40 FCCCCOCCCn1cccc1 7a_100000179399_100000729493 [0,2,0,0,0,0|2,0,0]=4 13881 B14R1.40 FCCCCOCCCn1cccc1 7a_100011995726_200009814367 [0,2,0,0,0,0|2,0,0]=4 13882 B14R1.40 FCCCCOCCCn1cccn1 34a_100000753614_100000729493 [0,2,0,0,0,0|2,0,0]=4 13883 B14R1.40 FCCCCOCCCn1cccn1 7a_100011995726_100000739983 [0,2,0,0,0,0|2,0,0]=4 13884 B14R1.40 FCCCCSCCCc1cccs1 62a_100000729493_100010992444 [0,2,0,0,0,0|0,1,0]=3 13885 B14R1.40 FCCCCSCCCc1cccs1 62a_100010992444_100000729493 [0,2,0,0,0,0|0,1,0]=3 13886 B14R1.40 FCCCCSCCCn1cccc1 62a_100000729493_200009814367 [0,2,0,0,0,0|2,0,0]=4 13887 B14R1.40 FCCCCSCCCn1cccc1 62a_200009814367_100000729493 [0,2,0,0,0,0|2,0,0]=4 13888 B14R1.40 FCCCCSCCCn1cccn1 62a_100000729493_100000739983 [0,2,0,0,0,0|2,0,0]=4 13889 B14R1.40 FCCCCSCCCn1cccn1 62a_100000739983_100000729493 [0,2,0,0,0,0|2,0,0]=4 13890 B14R1.40 FCCCNCCSCc1ccco1 2230a_100000184675_100011934791 [0,2,0,0,0,0|1,0,0]=3 13891 B14R1.40 FCCCNCCSCc1ccco1 7a_100000184675_100011934791 [0,2,0,0,0,0|1,0,0]=3 13892 B14R1.40 FCCOCCCNCc1cccs1 34a_100015187169_100011217306 [0,2,0,0,0,0|1,1,0]=4 13893 B14R1.40 FCCOCCOCCc1cccs1 34a_200015357709_100000748579 [0,2,0,0,0,0|1,1,0]=4 13894 B14R1.40 FCCOCCOCCc1cccs1 7a_200015357709_100000748579 [0,2,0,0,0,0|1,1,0]=4 13895 B14R1.40 ICCCCCOCCc1c[nH]cn1 7a_200012148887_100020628418 [0,2,0,0,0,0|2,0,0]=4 13896 B14R1.40 ICCCCCOCCc1cccs1 34a_200012148887_100000748579 [0,2,0,0,0,0|0,1,0]=3 13897 B14R1.40 ICCCCCOCCc1cccs1 7a_200012148887_100000748579 [0,2,0,0,0,0|0,1,0]=3 13898 B14R1.40 ICCCCCOCCn1cccc1 7a_200012148887_200000035178 [0,2,0,0,0,0|2,0,0]=4 13899 B14R1.40 ICCCCCOCCn1cccn1 34a_200012148887_100015204718 [0,2,0,0,0,0|2,0,0]=4 13900 B14R1.40 ICCCCCOCCn1cccn1 7a_200012148887_100000685285 [0,2,0,0,0,0|2,0,0]=4 13901 B14R1.40 ICCCCOCCCc1cccs1 34a_200012148704_100010992444 [0,2,0,0,0,0|0,1,0]=3 13902 B14R1.40 ICCCCOCCCn1cccc1 34a_200012148704_200009814367 [0,2,0,0,0,0|2,0,0]=4 13903 B14R1.40 ICCOCCOCCc1cccs1 34a_100012149058_100000748579 [0,2,0,0,0,0|1,1,0]=4 13904 B14R1.40 ICCOCCOCCc1cccs1 7a_100012149058_100000748579 [0,2,0,0,0,0|1,1,0]=4 13905 B14R1.40 N#CCCCCCCSc1ccco1 62a_100009813337_100009814098 [0,2,0,0,0,0|0,0,1]=3 13906 B14R1.40 N#CCCCCCCSc1ccco1 62a_100009814098_100009813337 [0,2,0,0,0,0|0,0,1]=3 13907 B14R1.40 N#CCCCCCCSc1cccs1 62a_100009813337_100011215356 [0,2,0,0,0,0|0,1,1]=4 13908 B14R1.40 N#CCCCCCCSc1cccs1 62a_100011215356_100009813337 [0,2,0,0,0,0|0,1,1]=4 13909 B14R1.40 N#CCCCCCCSc1cnco1 62a_100009813337_100020591547 [0,2,0,0,0,0|1,0,1]=4 13910 B14R1.40 N#CCCCCCCSc1cnco1 62a_100020591547_100009813337 [0,2,0,0,0,0|1,0,1]=4 13911 B14R1.40 N#CCCCCCCSc1ncco1 62a_100009813337_100011787736 [0,2,0,0,0,0|1,0,1]=4 13912 B14R1.40 N#CCCCCCCSc1ncco1 62a_100011787736_100009813337 [0,2,0,0,0,0|1,0,1]=4 13913 B14R1.40 N#CCCCCCNCc1ccco1 2230a_100000185738_100009813376 [0,2,0,0,0,0|0,0,1]=3 13914 B14R1.40 N#CCCCCCNCc1ccco1 270004a_100000061152_100000186105 [0,2,0,0,0,0|0,0,1]=3 13915 B14R1.40 N#CCCCCCNCc1cccs1 2230a_100000211653_100009813376 [0,2,0,0,0,0|0,1,1]=4 13916 B14R1.40 N#CCCCCCNCc1cccs1 270004a_100000061152_100000209959 [0,2,0,0,0,0|0,1,1]=4 13917 B14R1.40 N#CCCCCCNCc1cnco1 270004a_100000061152_100000064291 [0,2,0,0,0,0|1,0,1]=4 13918 B14R1.40 N#CCCCCCNCc1ncco1 2230a_100016994969_100009813376 [0,2,0,0,0,0|1,0,1]=4 13919 B14R1.40 N#CCCCCCNCc1ncco1 270004a_100000061152_100000064290 [0,2,0,0,0,0|1,0,1]=4 13920 B14R1.40 N#CCCCCCSCc1ncco1 62a_100009813376_103436540062 [0,2,0,0,0,0|1,0,1]=4 13921 B14R1.40 N#CCCCCCSCc1ncco1 62a_103436540062_100009813376 [0,2,0,0,0,0|1,0,1]=4 13922 B14R1.40 N#CCCCCNCCc1ccco1 2230a_100000694680_100000211819 [0,2,0,0,0,0|0,0,1]=3 13923 B14R1.40 N#CCCCCNCCc1cccs1 2230a_100000203755_100000211819 [0,2,0,0,0,0|0,1,1]=4 13924 B14R1.40 N#CCCCCOCCc1cccs1 7a_100011216825_100000211819 [0,2,0,0,0,0|0,1,1]=4 13925 B14R1.40 N#CCCCCSCCc1cccs1 62a_100000748579_100000211819 [0,2,0,0,0,0|0,1,1]=4 13926 B14R1.40 N#CCCCCSCCc1cccs1 62a_100011219923_100000748579 [0,2,0,0,0,0|0,1,1]=4 13927 B14R1.40 N#CCCCOCCCc1cccs1 7a_100011713143_100000687738 [0,2,0,0,0,0|0,1,1]=4 13928 B14R1.40 N#CCCCSCCCc1cccs1 62a_100000687738_100010992444 [0,2,0,0,0,0|0,1,1]=4 13929 B14R1.40 N#CCCCSCCCc1cccs1 62a_100010992444_100000687738 [0,2,0,0,0,0|0,1,1]=4 13930 B14R1.40 N#CCCNCCSCc1ccco1 2230a_100000184675_100011215226 [0,2,0,0,0,0|1,0,1]=4 13931 B14R1.40 N#CCCNCCSCc1ccco1 7a_100000184675_100000184422 [0,2,0,0,0,0|1,0,1]=4 13932 B14R1.40 N#CCOCCNCCc1ccco1 2230a_100000694680_200000047693 [0,2,0,0,0,0|1,0,1]=4 13933 B14R1.40 NCCCCCCOCc1c[nH]cn1 34a_100000686447_100000707719 [0,2,0,0,0,0|2,0,0]=4 13934 B14R1.40 NCCCCCCOCc1ccn[nH]1 34a_100000686447_100000728653 [0,2,0,0,0,0|2,0,0]=4 13935 B14R1.40 NCCCCCCOCc1ccon1 34a_100000686447_100000234950 [0,2,0,0,0,0|2,0,0]=4 13936 B14R1.40 NCCCCCCOCc1ccsc1 34a_100000686447_100011261437 [0,2,0,0,0,0|2,0,0]=4 13937 B14R1.40 NCCCCCCOCc1cncs1 34a_100000686447_100015185245 [0,2,0,0,0,0|1,1,0]=4 13938 B14R1.40 NCCCCCCOCc1cscn1 34a_100000686447_100000205941 [0,2,0,0,0,0|2,0,0]=4 13939 B14R1.40 NCCCCCCOCc1ncc[nH]1 34a_100000686447_100016991755 [0,2,0,0,0,0|2,0,0]=4 13940 B14R1.40 NCCCCCCOCc1ncco1 34a_100000686447_103436540062 [0,2,0,0,0,0|1,0,0]=3 13941 B14R1.40 NCCCCCCOCc1nccs1 34a_100000686447_100015184050 [0,2,0,0,0,0|1,1,0]=4 13942 B14R1.40 NCCCCCOCCc1cccs1 34a_100000762737_100000748579 [0,2,0,0,0,0|0,1,0]=3 13943 B14R1.40 NCCCCCOCCn1cccn1 34a_100000762737_100015204718 [0,2,0,0,0,0|2,0,0]=4 13944 B14R1.40 NCCCCOCCCc1cccs1 34a_100000750430_100010992444 [0,2,0,0,0,0|0,1,0]=3 13945 B14R1.40 NCCCCOCCCn1cccc1 34a_100000750430_200009814367 [0,2,0,0,0,0|2,0,0]=4 13946 B14R1.40 NCCOCCOCCc1cccs1 34a_100000211614_100000748579 [0,2,0,0,0,0|1,1,0]=4 13947 B14R1.40 O=CCCCCCNCc1ccco1 2230a_100000185738_100000139337 [0,2,0,0,0,0|0,0,1]=3 13948 B14R1.40 O=CCCCCCNCc1cccs1 2230a_100000211653_100000139337 [0,2,0,0,0,0|0,1,1]=4 13949 B14R1.40 O=CCCCCCNCc1ncco1 2230a_100016994969_100000139337 [0,2,0,0,0,0|1,0,1]=4 13950 B14R1.40 O=CCCCCCSCc1ncco1 62a_100000139337_103436540062 [0,2,0,0,0,0|1,0,1]=4 13951 B14R1.40 O=CCCCCCSCc1ncco1 62a_103436540062_100000139337 [0,2,0,0,0,0|1,0,1]=4 13952 B14R1.40 O=CCCCCNCCc1ccco1 2230a_100000694680_100000139335 [0,2,0,0,0,0|0,0,1]=3 13953 B14R1.40 O=CCCCCNCCc1cccs1 2230a_100000203755_100000139335 [0,2,0,0,0,0|0,1,1]=4 13954 B14R1.40 O=CCCCCOCCc1cccs1 7a_100011216825_100000139335 [0,2,0,0,0,0|0,1,1]=4 13955 B14R1.40 O=CCCCCSCCc1cccs1 62a_100000139335_100000748579 [0,2,0,0,0,0|0,1,1]=4 13956 B14R1.40 O=CCCCCSCCc1cccs1 62a_100000748579_100000139335 [0,2,0,0,0,0|0,1,1]=4 13957 B14R1.40 O=CCCCOCCCc1cccs1 7a_100011713143_200011292268 [0,2,0,0,0,0|0,1,1]=4 13958 B14R1.40 O=CCCCSCCCc1cccs1 62a_100010992444_200011292268 [0,2,0,0,0,0|0,1,1]=4 13959 B14R1.40 O=CCCCSCCCc1cccs1 62a_200011292268_100010992444 [0,2,0,0,0,0|0,1,1]=4 13960 B14R1.40 OCCCCCCCOc1ccsc1 34a_100000106738_100000760002 [0,2,0,0,0,0|2,0,0]=4 13961 B14R1.40 OCCCCCCCOc1ccsc1 7a_100000106738_100000760002 [0,2,0,0,0,0|2,0,0]=4 13962 B14R1.40 OCCCCCCCSc1c[nH]cn1 62a_100000756875_100000760002 [0,2,0,0,0,0|2,0,0]=4 13963 B14R1.40 OCCCCCCCSc1c[nH]cn1 62a_100000760002_100000756875 [0,2,0,0,0,0|2,0,0]=4 13964 B14R1.40 OCCCCCCCSc1cc[nH]n1 62a_100000062575_100000760002 [0,2,0,0,0,0|2,0,0]=4 13965 B14R1.40 OCCCCCCCSc1cc[nH]n1 62a_100000760002_100000062575 [0,2,0,0,0,0|2,0,0]=4 13966 B14R1.40 OCCCCCCCSc1ccco1 62a_100000760002_100009814098 [0,2,0,0,0,0|0,0,0]=2 13967 B14R1.40 OCCCCCCCSc1ccco1 62a_100009814098_100000760002 [0,2,0,0,0,0|0,0,0]=2 13968 B14R1.40 OCCCCCCCSc1cccs1 62a_100000760002_100011215356 [0,2,0,0,0,0|0,1,0]=3 13969 B14R1.40 OCCCCCCCSc1cccs1 62a_100011215356_100000760002 [0,2,0,0,0,0|0,1,0]=3 13970 B14R1.40 OCCCCCCCSc1ccoc1 62a_100000760002_100011215275 [0,2,0,0,0,0|2,0,0]=4 13971 B14R1.40 OCCCCCCCSc1ccoc1 62a_100011215275_100000760002 [0,2,0,0,0,0|2,0,0]=4 13972 B14R1.40 OCCCCCCCSc1ccon1 62a_100000760002_100009818083 [0,2,0,0,0,0|2,0,0]=4 13973 B14R1.40 OCCCCCCCSc1ccon1 62a_100009818083_100000760002 [0,2,0,0,0,0|2,0,0]=4 13974 B14R1.40 OCCCCCCCSc1ccsc1 62a_100000738268_100000760002 [0,2,0,0,0,0|2,0,0]=4 13975 B14R1.40 OCCCCCCCSc1ccsc1 62a_100000760002_100000738268 [0,2,0,0,0,0|2,0,0]=4 13976 B14R1.40 OCCCCCCCSc1ccsn1 62a_100000760002_100009818082 [0,2,0,0,0,0|2,0,0]=4 13977 B14R1.40 OCCCCCCCSc1ccsn1 62a_100009818082_100000760002 [0,2,0,0,0,0|2,0,0]=4 13978 B14R1.40 OCCCCCCCSc1cnco1 62a_100000760002_100020591547 [0,2,0,0,0,0|1,0,0]=3 13979 B14R1.40 OCCCCCCCSc1cnco1 62a_100020591547_100000760002 [0,2,0,0,0,0|1,0,0]=3 13980 B14R1.40 OCCCCCCCSc1cncs1 62a_100000760002_100011934649 [0,2,0,0,0,0|1,1,0]=4 13981 B14R1.40 OCCCCCCCSc1cncs1 62a_100011934649_100000760002 [0,2,0,0,0,0|1,1,0]=4 13982 B14R1.40 OCCCCCCCSc1cscn1 62a_100000751502_100000760002 [0,2,0,0,0,0|2,0,0]=4 13983 B14R1.40 OCCCCCCCSc1cscn1 62a_100000760002_100000751502 [0,2,0,0,0,0|2,0,0]=4 13984 B14R1.40 OCCCCCCCSc1ncc[nH]1 62a_100000760002_100025796157 [0,2,0,0,0,0|2,0,0]=4 13985 B14R1.40 OCCCCCCCSc1ncc[nH]1 62a_100025796157_100000760002 [0,2,0,0,0,0|2,0,0]=4 13986 B14R1.40 OCCCCCCCSc1ncco1 62a_100000760002_100011787736 [0,2,0,0,0,0|1,0,0]=3 13987 B14R1.40 OCCCCCCCSc1ncco1 62a_100011787736_100000760002 [0,2,0,0,0,0|1,0,0]=3 13988 B14R1.40 OCCCCCCCSc1nccs1 62a_100000211983_100000760002 [0,2,0,0,0,0|1,1,0]=4 13989 B14R1.40 OCCCCCCCSc1nccs1 62a_100000760002_100000211983 [0,2,0,0,0,0|1,1,0]=4 13990 B14R1.40 OCCCCCCNCc1c[nH]cn1 2230a_100000686447_100000707719 [0,2,0,0,0,0|2,0,0]=4 13991 B14R1.40 OCCCCCCNCc1c[nH]cn1 34a_100000686447_100000707719 [0,2,0,0,0,0|2,0,0]=4 13992 B14R1.40 OCCCCCCNCc1cc[nH]n1 207a_100000686447_100000738523 [0,2,0,0,0,0|2,0,0]=4 13993 B14R1.40 OCCCCCCNCc1cc[nH]n1 270004a_100000686447_100000738523 [0,2,0,0,0,0|2,0,0]=4 13994 B14R1.40 OCCCCCCNCc1ccco1 207a_100000686447_100000186105 [0,2,0,0,0,0|0,0,0]=2 13995 B14R1.40 OCCCCCCNCc1ccco1 2230a_100000185738_100000766143 [0,2,0,0,0,0|0,0,0]=2 13996 B14R1.40 OCCCCCCNCc1ccco1 270004a_100000686447_100000186105 [0,2,0,0,0,0|0,0,0]=2 13997 B14R1.40 OCCCCCCNCc1ccco1 34a_100000185738_100000766143 [0,2,0,0,0,0|0,0,0]=2 13998 B14R1.40 OCCCCCCNCc1cccs1 207a_100000686447_100000209959 [0,2,0,0,0,0|0,1,0]=3 13999 B14R1.40 OCCCCCCNCc1cccs1 2230a_100000211653_100000766143 [0,2,0,0,0,0|0,1,0]=3 14000 B14R1.40 OCCCCCCNCc1cccs1 270004a_100000686447_100000209959 [0,2,0,0,0,0|0,1,0]=3 14001 B14R1.40 OCCCCCCNCc1ccn[nH]1 2230a_100000686447_100000728653 [0,2,0,0,0,0|2,0,0]=4 14002 B14R1.40 OCCCCCCNCc1ccn[nH]1 34a_100000686447_100000728653 [0,2,0,0,0,0|2,0,0]=4 14003 B14R1.40 OCCCCCCNCc1ccoc1 207a_100000686447_100011215517 [0,2,0,0,0,0|2,0,0]=4 14004 B14R1.40 OCCCCCCNCc1ccoc1 2230a_100015206860_100000766143 [0,2,0,0,0,0|2,0,0]=4 14005 B14R1.40 OCCCCCCNCc1ccoc1 270004a_100000686447_100011215517 [0,2,0,0,0,0|2,0,0]=4 14006 B14R1.40 OCCCCCCNCc1ccoc1 34a_100015206860_100000766143 [0,2,0,0,0,0|2,0,0]=4 14007 B14R1.40 OCCCCCCNCc1ccon1 2230a_100000686447_100000234950 [0,2,0,0,0,0|2,0,0]=4 14008 B14R1.40 OCCCCCCNCc1ccon1 34a_100000686447_100000234950 [0,2,0,0,0,0|2,0,0]=4 14009 B14R1.40 OCCCCCCNCc1ccsc1 207a_100000686447_100000188534 [0,2,0,0,0,0|2,0,0]=4 14010 B14R1.40 OCCCCCCNCc1ccsc1 2230a_100000186416_100000766143 [0,2,0,0,0,0|2,0,0]=4 14011 B14R1.40 OCCCCCCNCc1ccsc1 2230a_100000686447_100011261437 [0,2,0,0,0,0|2,0,0]=4 14012 B14R1.40 OCCCCCCNCc1ccsc1 270004a_100000686447_100000188534 [0,2,0,0,0,0|2,0,0]=4 14013 B14R1.40 OCCCCCCNCc1ccsc1 34a_100000186416_100000766143 [0,2,0,0,0,0|2,0,0]=4 14014 B14R1.40 OCCCCCCNCc1ccsc1 34a_100000686447_100011261437 [0,2,0,0,0,0|2,0,0]=4 14015 B14R1.40 OCCCCCCNCc1cnc[nH]1 207a_100000686447_100000742939 [0,2,0,0,0,0|2,0,0]=4 14016 B14R1.40 OCCCCCCNCc1cnco1 270004a_100000686447_100000064291 [0,2,0,0,0,0|1,0,0]=3 14017 B14R1.40 OCCCCCCNCc1cncs1 207a_100000686447_100000749870 [0,2,0,0,0,0|1,1,0]=4 14018 B14R1.40 OCCCCCCNCc1cncs1 2230a_100000686447_100015185245 [0,2,0,0,0,0|1,1,0]=4 14019 B14R1.40 OCCCCCCNCc1cncs1 2230a_100016987365_100000766143 [0,2,0,0,0,0|1,1,0]=4 14020 B14R1.40 OCCCCCCNCc1cncs1 270004a_100000686447_100000749870 [0,2,0,0,0,0|1,1,0]=4 14021 B14R1.40 OCCCCCCNCc1cncs1 34a_100000686447_100015185245 [0,2,0,0,0,0|1,1,0]=4 14022 B14R1.40 OCCCCCCNCc1cocn1 270004a_100000686447_100000050382 [0,2,0,0,0,0|2,0,0]=4 14023 B14R1.40 OCCCCCCNCc1cscn1 207a_100000686447_100000743575 [0,2,0,0,0,0|2,0,0]=4 14024 B14R1.40 OCCCCCCNCc1cscn1 2230a_100000686447_100000205941 [0,2,0,0,0,0|2,0,0]=4 14025 B14R1.40 OCCCCCCNCc1cscn1 2230a_100015185402_100000766143 [0,2,0,0,0,0|2,0,0]=4 14026 B14R1.40 OCCCCCCNCc1cscn1 270004a_100000686447_100000743575 [0,2,0,0,0,0|2,0,0]=4 14027 B14R1.40 OCCCCCCNCc1cscn1 34a_100000686447_100000205941 [0,2,0,0,0,0|2,0,0]=4 14028 B14R1.40 OCCCCCCNCc1ncc[nH]1 207a_100000686447_100000743867 [0,2,0,0,0,0|2,0,0]=4 14029 B14R1.40 OCCCCCCNCc1ncc[nH]1 2230a_100000686447_100016991755 [0,2,0,0,0,0|2,0,0]=4 14030 B14R1.40 OCCCCCCNCc1ncc[nH]1 34a_100000686447_100016991755 [0,2,0,0,0,0|2,0,0]=4 14031 B14R1.40 OCCCCCCNCc1ncco1 2230a_100000686447_103436540062 [0,2,0,0,0,0|1,0,0]=3 14032 B14R1.40 OCCCCCCNCc1ncco1 2230a_100016994969_100000766143 [0,2,0,0,0,0|1,0,0]=3 14033 B14R1.40 OCCCCCCNCc1ncco1 270004a_100000686447_100000064290 [0,2,0,0,0,0|1,0,0]=3 14034 B14R1.40 OCCCCCCNCc1ncco1 34a_100000686447_103436540062 [0,2,0,0,0,0|1,0,0]=3 14035 B14R1.40 OCCCCCCNCc1nccs1 207a_100000686447_100000750902 [0,2,0,0,0,0|1,1,0]=4 14036 B14R1.40 OCCCCCCNCc1nccs1 2230a_100000686447_100015184050 [0,2,0,0,0,0|1,1,0]=4 14037 B14R1.40 OCCCCCCNCc1nccs1 2230a_100000740555_100000766143 [0,2,0,0,0,0|1,1,0]=4 14038 B14R1.40 OCCCCCCNCc1nccs1 270004a_100000686447_100000750902 [0,2,0,0,0,0|1,1,0]=4 14039 B14R1.40 OCCCCCCNCc1nccs1 34a_100000686447_100015184050 [0,2,0,0,0,0|1,1,0]=4 14040 B14R1.40 OCCCCCCOCc1ccco1 34a_100000210059_100000766143 [0,2,0,0,0,0|0,0,0]=2 14041 B14R1.40 OCCCCCCOCc1cccs1 34a_100000211240_100000766143 [0,2,0,0,0,0|0,1,0]=3 14042 B14R1.40 OCCCCCCOCc1ccno1 34a_100000740478_100000766143 [0,2,0,0,0,0|1,0,0]=3 14043 B14R1.40 OCCCCCCOCc1ccoc1 34a_100011215357_100000766143 [0,2,0,0,0,0|2,0,0]=4 14044 B14R1.40 OCCCCCCOCc1ccsc1 34a_100011215551_100000766143 [0,2,0,0,0,0|2,0,0]=4 14045 B14R1.40 OCCCCCCOCc1ncco1 34a_100000062594_100000766143 [0,2,0,0,0,0|1,0,0]=3 14046 B14R1.40 OCCCCCCOCn1cccn1 34a_100000731028_100000766143 [0,2,0,0,0,0|2,0,0]=4 14047 B14R1.40 OCCCCCCSCc1c[nH]cn1 62a_100000707719_100000766143 [0,2,0,0,0,0|2,0,0]=4 14048 B14R1.40 OCCCCCCSCc1c[nH]cn1 62a_100000766143_100000707719 [0,2,0,0,0,0|2,0,0]=4 14049 B14R1.40 OCCCCCCSCc1ccn[nH]1 62a_100000728653_100000766143 [0,2,0,0,0,0|2,0,0]=4 14050 B14R1.40 OCCCCCCSCc1ccn[nH]1 62a_100000766143_100000728653 [0,2,0,0,0,0|2,0,0]=4 14051 B14R1.40 OCCCCCCSCc1ccon1 62a_100000234950_100000766143 [0,2,0,0,0,0|2,0,0]=4 14052 B14R1.40 OCCCCCCSCc1ccon1 62a_100000766143_100000234950 [0,2,0,0,0,0|2,0,0]=4 14053 B14R1.40 OCCCCCCSCc1ccsc1 62a_100000766143_100011233845 [0,2,0,0,0,0|2,0,0]=4 14054 B14R1.40 OCCCCCCSCc1ccsc1 62a_100011261437_100000766143 [0,2,0,0,0,0|2,0,0]=4 14055 B14R1.40 OCCCCCCSCc1cncs1 62a_100000766143_100015185245 [0,2,0,0,0,0|1,1,0]=4 14056 B14R1.40 OCCCCCCSCc1cncs1 62a_100015185245_100000766143 [0,2,0,0,0,0|1,1,0]=4 14057 B14R1.40 OCCCCCCSCc1cscn1 62a_100000205941_100000766143 [0,2,0,0,0,0|2,0,0]=4 14058 B14R1.40 OCCCCCCSCc1cscn1 62a_100000766143_100000205941 [0,2,0,0,0,0|2,0,0]=4 14059 B14R1.40 OCCCCCCSCc1ncc[nH]1 62a_100000766143_100016991755 [0,2,0,0,0,0|2,0,0]=4 14060 B14R1.40 OCCCCCCSCc1ncc[nH]1 62a_100016991755_100000766143 [0,2,0,0,0,0|2,0,0]=4 14061 B14R1.40 OCCCCCCSCc1ncco1 62a_100000766143_103436540062 [0,2,0,0,0,0|1,0,0]=3 14062 B14R1.40 OCCCCCCSCc1ncco1 62a_103436540062_100000766143 [0,2,0,0,0,0|1,0,0]=3 14063 B14R1.40 OCCCCCCSCc1nccs1 62a_100000766143_100015184050 [0,2,0,0,0,0|1,1,0]=4 14064 B14R1.40 OCCCCCCSCc1nccs1 62a_100015184050_100000766143 [0,2,0,0,0,0|1,1,0]=4 14065 B14R1.40 OCCCCCNCCc1c[nH]cn1 2230a_100000762737_100020628418 [0,2,0,0,0,0|2,0,0]=4 14066 B14R1.40 OCCCCCNCCc1ccco1 2230a_100000694680_100000746330 [0,2,0,0,0,0|0,0,0]=2 14067 B14R1.40 OCCCCCNCCc1ccco1 34a_100000694680_100000746330 [0,2,0,0,0,0|0,0,0]=2 14068 B14R1.40 OCCCCCNCCc1cccs1 2230a_100000203755_100000746330 [0,2,0,0,0,0|0,1,0]=3 14069 B14R1.40 OCCCCCNCCc1cccs1 2230a_100000762737_100000748579 [0,2,0,0,0,0|0,1,0]=3 14070 B14R1.40 OCCCCCNCCc1cccs1 34a_100000203755_100000746330 [0,2,0,0,0,0|0,1,0]=3 14071 B14R1.40 OCCCCCNCCc1cccs1 34a_100000762737_100000748579 [0,2,0,0,0,0|0,1,0]=3 14072 B14R1.40 OCCCCCNCCc1ccsc1 2230a_100000692642_100000746330 [0,2,0,0,0,0|2,0,0]=4 14073 B14R1.40 OCCCCCNCCc1ccsc1 34a_100000692642_100000746330 [0,2,0,0,0,0|2,0,0]=4 14074 B14R1.40 OCCCCCNCCc1cncs1 2230a_100016991637_100000746330 [0,2,0,0,0,0|1,1,0]=4 14075 B14R1.40 OCCCCCNCCc1nccs1 2230a_100015186391_100000746330 [0,2,0,0,0,0|1,1,0]=4 14076 B14R1.40 OCCCCCNCCn1cccc1 2230a_100000762737_200009811947 [0,2,0,0,0,0|2,0,0]=4 14077 B14R1.40 OCCCCCNCCn1cccc1 34a_100011368172_100000746330 [0,2,0,0,0,0|2,0,0]=4 14078 B14R1.40 OCCCCCNCCn1cccn1 2230a_100000762737_100000685285 [0,2,0,0,0,0|2,0,0]=4 14079 B14R1.40 OCCCCCNCCn1cccn1 2230a_100011200920_100000746330 [0,2,0,0,0,0|2,0,0]=4 14080 B14R1.40 OCCCCCNCCn1cccn1 34a_100000762737_100015204718 [0,2,0,0,0,0|2,0,0]=4 14081 B14R1.40 OCCCCCOCCc1cccs1 34a_100011216825_100000746330 [0,2,0,0,0,0|0,1,0]=3 14082 B14R1.40 OCCCCCOCCc1cccs1 7a_100011216825_100000746330 [0,2,0,0,0,0|0,1,0]=3 14083 B14R1.40 OCCCCCOCCc1ccsc1 34a_100000748821_100000746330 [0,2,0,0,0,0|2,0,0]=4 14084 B14R1.40 OCCCCCOCCc1ncc[nH]1 34a_103549771195_100000746330 [0,2,0,0,0,0|2,0,0]=4 14085 B14R1.40 OCCCCCOCCn1cccc1 34a_100000179382_100000746330 [0,2,0,0,0,0|2,0,0]=4 14086 B14R1.40 OCCCCCOCCn1cccn1 34a_100000743371_100000746330 [0,2,0,0,0,0|2,0,0]=4 14087 B14R1.40 OCCCCCSCCc1c[nH]cn1 62a_100000746330_100020628418 [0,2,0,0,0,0|2,0,0]=4 14088 B14R1.40 OCCCCCSCCc1c[nH]cn1 62a_100020628418_100000746330 [0,2,0,0,0,0|2,0,0]=4 14089 B14R1.40 OCCCCCSCCc1cccs1 62a_100000746330_100000748579 [0,2,0,0,0,0|0,1,0]=3 14090 B14R1.40 OCCCCCSCCc1cccs1 62a_100000748579_100000746330 [0,2,0,0,0,0|0,1,0]=3 14091 B14R1.40 OCCCCCSCCn1cccc1 62a_100000746330_200000035178 [0,2,0,0,0,0|2,0,0]=4 14092 B14R1.40 OCCCCCSCCn1cccc1 62a_200009811947_100000746330 [0,2,0,0,0,0|2,0,0]=4 14093 B14R1.40 OCCCCCSCCn1cccn1 62a_100000746330_100000685285 [0,2,0,0,0,0|2,0,0]=4 14094 B14R1.40 OCCCCCSCCn1cccn1 62a_100015204718_100000746330 [0,2,0,0,0,0|2,0,0]=4 14095 B14R1.40 OCCCCNCC=Cc1ccco1 270004a_100000750430_100000185671 [0,2,0,0,0,0|0,0,2]=4 14096 B14R1.40 OCCCCNCCCc1cccs1 2230a_100000750430_100010992444 [0,2,0,0,0,0|0,1,0]=3 14097 B14R1.40 OCCCCNCCCc1cccs1 34a_100000750430_100010992444 [0,2,0,0,0,0|0,1,0]=3 14098 B14R1.40 OCCCCNCCCn1cccc1 2230a_100000750430_200009814367 [0,2,0,0,0,0|2,0,0]=4 14099 B14R1.40 OCCCCNCCCn1cccc1 34a_100000750430_200009814367 [0,2,0,0,0,0|2,0,0]=4 14100 B14R1.40 OCCCCNCCCn1cccn1 2230a_100000750430_100000739983 [0,2,0,0,0,0|2,0,0]=4 14101 B14R1.40 OCCCCOCCCc1cccs1 34a_100011713143_100011216708 [0,2,0,0,0,0|0,1,0]=3 14102 B14R1.40 OCCCCOCCCc1cccs1 7a_100011713143_100000210776 [0,2,0,0,0,0|0,1,0]=3 14103 B14R1.40 OCCCCOCCCc1ccsc1 34a_200000699776_100011216708 [0,2,0,0,0,0|2,0,0]=4 14104 B14R1.40 OCCCCOCCCc1ccsc1 7a_200000699776_100000210776 [0,2,0,0,0,0|2,0,0]=4 14105 B14R1.40 OCCCCOCCCn1cccc1 34a_100000179399_100011216708 [0,2,0,0,0,0|2,0,0]=4 14106 B14R1.40 OCCCCOCCCn1cccc1 7a_100000179399_100000210776 [0,2,0,0,0,0|2,0,0]=4 14107 B14R1.40 OCCCCOCCCn1cccn1 34a_100000753614_100011216708 [0,2,0,0,0,0|2,0,0]=4 14108 B14R1.40 OCCCCSCCCc1cccs1 62a_100000210776_100010992444 [0,2,0,0,0,0|0,1,0]=3 14109 B14R1.40 OCCCCSCCCc1cccs1 62a_100010992444_100000210776 [0,2,0,0,0,0|0,1,0]=3 14110 B14R1.40 OCCCCSCCCn1cccc1 62a_100000210776_200009814367 [0,2,0,0,0,0|2,0,0]=4 14111 B14R1.40 OCCCCSCCCn1cccc1 62a_200009814367_100000210776 [0,2,0,0,0,0|2,0,0]=4 14112 B14R1.40 OCCCCSCCCn1cccn1 62a_100000210776_100000739983 [0,2,0,0,0,0|2,0,0]=4 14113 B14R1.40 OCCCCSCCCn1cccn1 62a_100000739983_100000210776 [0,2,0,0,0,0|2,0,0]=4 14114 B14R1.40 OCCCNCCSCc1ccco1 2230a_100000184675_100000230001 [0,2,0,0,0,0|1,0,0]=3 14115 B14R1.40 OCCCNCCSCc1ccco1 7a_100000184675_100011215043 [0,2,0,0,0,0|1,0,0]=3 14116 B14R1.40 OCCOCCCNCc1cccs1 34a_100015187169_100000211926 [0,2,0,0,0,0|1,1,0]=4 14117 B14R1.40 OCCOCCNCCc1ccco1 2230a_100000694680_100011215305 [0,2,0,0,0,0|1,0,0]=3 14118 B14R1.40 OCCOCCNCCc1ccco1 34a_100000694680_100000692535 [0,2,0,0,0,0|1,0,0]=3 14119 B14R1.40 OCCOCCNCCc1cccs1 2230a_100000203755_100011215305 [0,2,0,0,0,0|1,1,0]=4 14120 B14R1.40 OCCOCCNCCc1cccs1 2230a_100000211614_100000748579 [0,2,0,0,0,0|1,1,0]=4 14121 B14R1.40 OCCOCCNCCc1cccs1 34a_100000203755_100000692535 [0,2,0,0,0,0|1,1,0]=4 14122 B14R1.40 OCCOCCNCCc1cccs1 34a_100000211614_100000748579 [0,2,0,0,0,0|1,1,0]=4 14123 B14R1.40 OCCOCCOCCc1cccs1 34a_100011216825_100000692535 [0,2,0,0,0,0|1,1,0]=4 14124 B14R1.40 OCCOCCOCCc1cccs1 7a_100011216825_100011215305 [0,2,0,0,0,0|1,1,0]=4 14125 B14R1.40 OCCOCCSCCc1cccs1 62a_100000748579_100011215305 [0,2,0,0,0,0|1,1,0]=4 14126 B14R1.40 OCCOCCSCCc1cccs1 62a_100011215305_100000748579 [0,2,0,0,0,0|1,1,0]=4 14127 B14R1.40 OCCSCCNCCc1cccs1 2230a_100011219999_100000748579 [0,2,0,0,0,0|1,1,0]=4 14128 B14R1.40 [N-]=[N+]=NCCCCNCc1ccco1 270004a_100000101370_100000186105 [0,2,0,0,0,0|2,0,0]=4 14129 B14R1.86 C#CCCCC(=O)CCc1ccco1 1458a_100000185103_100000731252 [0,2,0,0,0,0|0,0,2]=4 14130 B14R1.86 C#CCCNC(C)CCc1ccco1 2230a_100000199034_100000688953 [0,2,0,0,0,0|0,0,2]=4 14131 B14R1.86 C#CCCNC(C)CCc1ccco1 34a_100000199034_100000688953 [0,2,0,0,0,0|0,0,2]=4 14132 B14R1.86 C/C=C/CNC(C)CCc1ccco1 34a_100000199034_100102629194 [0,2,0,0,0,0|0,0,2]=4 14133 B14R1.86 C=CCCCC(=O)CCc1ccco1 1458a_100000185103_100000757094 [0,2,0,0,0,0|0,0,2]=4 14134 B14R1.86 C=CCCNC(C)CCc1ccco1 2230a_100000199034_100000754431 [0,2,0,0,0,0|0,0,2]=4 14135 B14R1.86 C=CCCNC(C)CCc1ccco1 34a_100000199034_100000754431 [0,2,0,0,0,0|0,0,2]=4 14136 B14R1.86 CC#CCNC(C)CCc1ccco1 2230a_100000199034_100000748600 [0,2,0,0,0,0|0,0,2]=4 14137 B14R1.86 CC#CCNC(C)CCc1ccco1 34a_100000199034_100000748600 [0,2,0,0,0,0|0,0,2]=4 14138 B14R1.86 CC(CCCC#N)NCc1ccco1 270004a_100000185738_200000032708 [0,2,0,0,0,0|1,0,1]=4 14139 B14R1.86 CC(CCc1ccco1)NCCC#N 2230a_100000199034_100011215226 [0,2,0,0,0,0|1,0,1]=4 14140 B14R1.86 CC(CCc1ccco1)NCCCF 2230a_100000199034_100011934791 [0,2,0,0,0,0|1,0,0]=3 14141 B14R1.86 CC(CCc1ccco1)NCCCF 34a_100000199034_100011934791 [0,2,0,0,0,0|1,0,0]=3 14142 B14R1.86 CC(CCc1ccco1)NCCCO 2230a_100000199034_100000230001 [0,2,0,0,0,0|1,0,0]=3 14143 B14R1.86 CC(CCc1ccco1)NCCCO 34a_100000199034_100000230001 [0,2,0,0,0,0|1,0,0]=3 14144 B14R1.86 CC/C=C\CC(=O)CCc1ccco1 1458a_100000185103_100103147603 [0,2,0,0,0,0|0,0,2]=4 14145 B14R1.86 CC=CCNC(C)CCc1ccco1 2230a_100000199034_100000070051 [0,2,0,0,0,0|0,0,2]=4 14146 B14R1.86 CC=CCNC(C)CCc1ccco1 34a_100000199034_100000070051 [0,2,0,0,0,0|0,0,2]=4 14147 B14R1.86 CCC#CCC(=O)CCc1ccco1 1458a_100000185103_100009813939 [0,2,0,0,0,0|0,0,2]=4 14148 B14R1.86 CCCCCC(=O)CCc1c[nH]cn1 1458a_100000212188_100020628418 [0,2,0,0,0,0|2,0,0]=4 14149 B14R1.86 CCCCCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210326 [0,2,0,0,0,0|2,0,0]=4 14150 B14R1.86 CCCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210326 [0,2,0,0,0,0|1,0,0]=3 14151 B14R1.86 CCCCCC(=O)CCc1ccco1 1458a_100000185103_100000210326 [0,2,0,0,0,0|0,0,0]=2 14152 B14R1.86 CCCCCC(=O)CCc1cccs1 1458a_100000185280_100000210326 [0,2,0,0,0,0|0,1,0]=3 14153 B14R1.86 CCCCCC(=O)CCc1cccs1 1458a_100000212188_100000748579 [0,2,0,0,0,0|0,1,0]=3 14154 B14R1.86 CCCCCC(=O)CCc1ccsc1 1458a_100000195497_100000210326 [0,2,0,0,0,0|2,0,0]=4 14155 B14R1.86 CCCCCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210326 [0,2,0,0,0,0|2,0,0]=4 14156 B14R1.86 CCCCCC(=O)CCc1cncs1 1458a_100012184922_100000210326 [0,2,0,0,0,0|1,1,0]=4 14157 B14R1.86 CCCCCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210326 [0,2,0,0,0,0|2,0,0]=4 14158 B14R1.86 CCCCCC(=O)CCc1nccs1 1458a_100000742873_100000210326 [0,2,0,0,0,0|1,1,0]=4 14159 B14R1.86 CCCCCC(=O)CCn1cccc1 1458a_100000212188_200000035178 [0,2,0,0,0,0|2,0,0]=4 14160 B14R1.86 CCCCCC(=O)CCn1cccc1 1458a_100011196273_100000210326 [0,2,0,0,0,0|2,0,0]=4 14161 B14R1.86 CCCCCC(=O)CCn1cccn1 1458a_100000212188_100000685285 [0,2,0,0,0,0|2,0,0]=4 14162 B14R1.86 CCCCCC(=O)CCn1cccn1 1458a_100000242649_100000210326 [0,2,0,0,0,0|2,0,0]=4 14163 B14R1.86 CCCCCC(=O)CSc1ccco1 62a_100009814098_200012276598 [0,2,0,0,0,0|0,0,1]=3 14164 B14R1.86 CCCCCC(=O)CSc1ccco1 62a_200012276598_100009814098 [0,2,0,0,0,0|0,0,1]=3 14165 B14R1.86 CCCCCC(=O)CSc1cccs1 62a_100011215356_200012276598 [0,2,0,0,0,0|0,1,1]=4 14166 B14R1.86 CCCCCC(=O)CSc1cccs1 62a_200012276598_100011215356 [0,2,0,0,0,0|0,1,1]=4 14167 B14R1.86 CCCCCC(=O)CSc1cnco1 62a_100020591547_200012276598 [0,2,0,0,0,0|1,0,1]=4 14168 B14R1.86 CCCCCC(=O)CSc1cnco1 62a_200012276598_100020591547 [0,2,0,0,0,0|1,0,1]=4 14169 B14R1.86 CCCCCC(=O)CSc1ncco1 62a_100011787736_200012276598 [0,2,0,0,0,0|1,0,1]=4 14170 B14R1.86 CCCCCC(=O)CSc1ncco1 62a_200012276598_100011787736 [0,2,0,0,0,0|1,0,1]=4 14171 B14R1.86 CCCCCC(=O)NCc1ccc[nH]1 11a_100000764082_100000212188 [0,2,0,0,0,0|1,0,1]=4 14172 B14R1.86 CCCCCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000212188 [0,2,0,0,0,0|1,0,1]=4 14173 B14R1.86 CCCCCC(=O)NCc1ccc[nH]1 527a_100000764082_100000212188 [0,2,0,0,0,0|1,0,1]=4 14174 B14R1.86 CCCCCC(=O)NCc1ccco1 11a_100000185738_100000212188 [0,2,0,0,0,0|0,0,1]=3 14175 B14R1.86 CCCCCC(=O)NCc1ccco1 1626a_100000185738_100000212188 [0,2,0,0,0,0|0,0,1]=3 14176 B14R1.86 CCCCCC(=O)NCc1ccco1 240690a_100000185738_100000212188 [0,2,0,0,0,0|0,0,1]=3 14177 B14R1.86 CCCCCC(=O)NCc1ccco1 527a_100000185738_100000212188 [0,2,0,0,0,0|0,0,1]=3 14178 B14R1.86 CCCCCC(=O)NCc1cccs1 11a_100000211653_100000212188 [0,2,0,0,0,0|0,1,1]=4 14179 B14R1.86 CCCCCC(=O)NCc1cccs1 1626a_100000211653_100000212188 [0,2,0,0,0,0|0,1,1]=4 14180 B14R1.86 CCCCCC(=O)NCc1cccs1 240690a_100000211653_100000212188 [0,2,0,0,0,0|0,1,1]=4 14181 B14R1.86 CCCCCC(=O)NCc1cccs1 527a_100000211653_100000212188 [0,2,0,0,0,0|0,1,1]=4 14182 B14R1.86 CCCCCC(=O)NCc1cnco1 11a_100020634212_100000212188 [0,2,0,0,0,0|1,0,1]=4 14183 B14R1.86 CCCCCC(=O)NCc1cnco1 240690a_100020634212_100000212188 [0,2,0,0,0,0|1,0,1]=4 14184 B14R1.86 CCCCCC(=O)NCc1cnco1 527a_100020634212_100000212188 [0,2,0,0,0,0|1,0,1]=4 14185 B14R1.86 CCCCCC(=O)NCc1ncco1 11a_100016994969_100000212188 [0,2,0,0,0,0|1,0,1]=4 14186 B14R1.86 CCCCCC(=O)NCc1ncco1 1626a_100016994969_100000212188 [0,2,0,0,0,0|1,0,1]=4 14187 B14R1.86 CCCCCC(=O)NCc1ncco1 240690a_100016994969_100000212188 [0,2,0,0,0,0|1,0,1]=4 14188 B14R1.86 CCCCCC(=O)NCc1ncco1 527a_100016994969_100000212188 [0,2,0,0,0,0|1,0,1]=4 14189 B14R1.86 CCCCCC(C)NCc1c[nH]cn1 2230a_100000211957_100000707719 [0,2,0,0,0,0|2,0,0]=4 14190 B14R1.86 CCCCCC(C)NCc1cc[nH]n1 207a_100000211957_100000738523 [0,2,0,0,0,0|2,0,0]=4 14191 B14R1.86 CCCCCC(C)NCc1cc[nH]n1 270004a_100000211957_100000738523 [0,2,0,0,0,0|2,0,0]=4 14192 B14R1.86 CCCCCC(C)NCc1ccco1 207a_100000211957_100000186105 [0,2,0,0,0,0|0,0,0]=2 14193 B14R1.86 CCCCCC(C)NCc1ccco1 2230a_100000185738_200011218191 [0,2,0,0,0,0|0,0,0]=2 14194 B14R1.86 CCCCCC(C)NCc1ccco1 270004a_100000185738_100000211708 [0,2,0,0,0,0|0,0,0]=2 14195 B14R1.86 CCCCCC(C)NCc1ccco1 270004a_100000211957_100000186105 [0,2,0,0,0,0|0,0,0]=2 14196 B14R1.86 CCCCCC(C)NCc1ccco1 34a_100000185738_200011218191 [0,2,0,0,0,0|0,0,0]=2 14197 B14R1.86 CCCCCC(C)NCc1cccs1 207a_100000211957_100000209959 [0,2,0,0,0,0|0,1,0]=3 14198 B14R1.86 CCCCCC(C)NCc1cccs1 2230a_100000211653_200011218191 [0,2,0,0,0,0|0,1,0]=3 14199 B14R1.86 CCCCCC(C)NCc1cccs1 270004a_100000211653_100000211708 [0,2,0,0,0,0|0,1,0]=3 14200 B14R1.86 CCCCCC(C)NCc1cccs1 270004a_100000211957_100000209959 [0,2,0,0,0,0|0,1,0]=3 14201 B14R1.86 CCCCCC(C)NCc1ccn[nH]1 2230a_100000211957_100000728653 [0,2,0,0,0,0|2,0,0]=4 14202 B14R1.86 CCCCCC(C)NCc1ccoc1 207a_100000211957_100011215517 [0,2,0,0,0,0|2,0,0]=4 14203 B14R1.86 CCCCCC(C)NCc1ccoc1 2230a_100015206860_200011218191 [0,2,0,0,0,0|2,0,0]=4 14204 B14R1.86 CCCCCC(C)NCc1ccoc1 270004a_100000211957_100011215517 [0,2,0,0,0,0|2,0,0]=4 14205 B14R1.86 CCCCCC(C)NCc1ccoc1 270004a_100015206860_100000211708 [0,2,0,0,0,0|2,0,0]=4 14206 B14R1.86 CCCCCC(C)NCc1ccoc1 34a_100015206860_200011218191 [0,2,0,0,0,0|2,0,0]=4 14207 B14R1.86 CCCCCC(C)NCc1ccon1 2230a_100000211957_100000234950 [0,2,0,0,0,0|2,0,0]=4 14208 B14R1.86 CCCCCC(C)NCc1ccon1 270004a_100000688301_100000211708 [0,2,0,0,0,0|2,0,0]=4 14209 B14R1.86 CCCCCC(C)NCc1ccsc1 207a_100000211957_100000188534 [0,2,0,0,0,0|2,0,0]=4 14210 B14R1.86 CCCCCC(C)NCc1ccsc1 2230a_100000186416_200011218191 [0,2,0,0,0,0|2,0,0]=4 14211 B14R1.86 CCCCCC(C)NCc1ccsc1 2230a_100000211957_100011261437 [0,2,0,0,0,0|2,0,0]=4 14212 B14R1.86 CCCCCC(C)NCc1ccsc1 270004a_100000186416_100000211708 [0,2,0,0,0,0|2,0,0]=4 14213 B14R1.86 CCCCCC(C)NCc1ccsc1 270004a_100000211957_100000188534 [0,2,0,0,0,0|2,0,0]=4 14214 B14R1.86 CCCCCC(C)NCc1ccsc1 34a_100000186416_200011218191 [0,2,0,0,0,0|2,0,0]=4 14215 B14R1.86 CCCCCC(C)NCc1cnc[nH]1 207a_100000211957_100000742939 [0,2,0,0,0,0|2,0,0]=4 14216 B14R1.86 CCCCCC(C)NCc1cnco1 270004a_100000211957_100000064291 [0,2,0,0,0,0|1,0,0]=3 14217 B14R1.86 CCCCCC(C)NCc1cnco1 270004a_100020634212_100000211708 [0,2,0,0,0,0|1,0,0]=3 14218 B14R1.86 CCCCCC(C)NCc1cncs1 207a_100000211957_100000749870 [0,2,0,0,0,0|1,1,0]=4 14219 B14R1.86 CCCCCC(C)NCc1cncs1 2230a_100000211957_100015185245 [0,2,0,0,0,0|1,1,0]=4 14220 B14R1.86 CCCCCC(C)NCc1cncs1 2230a_100016987365_200011218191 [0,2,0,0,0,0|1,1,0]=4 14221 B14R1.86 CCCCCC(C)NCc1cncs1 270004a_100000211957_100000749870 [0,2,0,0,0,0|1,1,0]=4 14222 B14R1.86 CCCCCC(C)NCc1cncs1 270004a_100016987365_100000211708 [0,2,0,0,0,0|1,1,0]=4 14223 B14R1.86 CCCCCC(C)NCc1cocn1 270004a_100000211957_100000050382 [0,2,0,0,0,0|2,0,0]=4 14224 B14R1.86 CCCCCC(C)NCc1cocn1 270004a_100015188801_100000211708 [0,2,0,0,0,0|2,0,0]=4 14225 B14R1.86 CCCCCC(C)NCc1cscn1 207a_100000211957_100000743575 [0,2,0,0,0,0|2,0,0]=4 14226 B14R1.86 CCCCCC(C)NCc1cscn1 2230a_100000211957_100000205941 [0,2,0,0,0,0|2,0,0]=4 14227 B14R1.86 CCCCCC(C)NCc1cscn1 2230a_100015185402_200011218191 [0,2,0,0,0,0|2,0,0]=4 14228 B14R1.86 CCCCCC(C)NCc1cscn1 270004a_100000211957_100000743575 [0,2,0,0,0,0|2,0,0]=4 14229 B14R1.86 CCCCCC(C)NCc1ncc[nH]1 207a_100000211957_100000743867 [0,2,0,0,0,0|2,0,0]=4 14230 B14R1.86 CCCCCC(C)NCc1ncc[nH]1 2230a_100000211957_100016991755 [0,2,0,0,0,0|2,0,0]=4 14231 B14R1.86 CCCCCC(C)NCc1ncc[nH]1 270004a_100000754540_100000211708 [0,2,0,0,0,0|2,0,0]=4 14232 B14R1.86 CCCCCC(C)NCc1ncco1 2230a_100000211957_103436540062 [0,2,0,0,0,0|1,0,0]=3 14233 B14R1.86 CCCCCC(C)NCc1ncco1 2230a_100016994969_200011218191 [0,2,0,0,0,0|1,0,0]=3 14234 B14R1.86 CCCCCC(C)NCc1ncco1 270004a_100000211957_100000064290 [0,2,0,0,0,0|1,0,0]=3 14235 B14R1.86 CCCCCC(C)NCc1nccs1 207a_100000211957_100000750902 [0,2,0,0,0,0|1,1,0]=4 14236 B14R1.86 CCCCCC(C)NCc1nccs1 2230a_100000211957_100015184050 [0,2,0,0,0,0|1,1,0]=4 14237 B14R1.86 CCCCCC(C)NCc1nccs1 2230a_100000740555_200011218191 [0,2,0,0,0,0|1,1,0]=4 14238 B14R1.86 CCCCCC(C)NCc1nccs1 270004a_100000211957_100000750902 [0,2,0,0,0,0|1,1,0]=4 14239 B14R1.86 CCCCCC(C)NCc1nccs1 270004a_100000740555_100000211708 [0,2,0,0,0,0|1,1,0]=4 14240 B14R1.86 CCCCCC(C)OCc1c[nH]cn1 34a_100011215632_100000707719 [0,2,0,0,0,0|2,0,0]=4 14241 B14R1.86 CCCCCC(C)OCc1ccco1 34a_100000210059_200011218191 [0,2,0,0,0,0|0,0,0]=2 14242 B14R1.86 CCCCCC(C)OCc1cccs1 34a_100000211240_200011218191 [0,2,0,0,0,0|0,1,0]=3 14243 B14R1.86 CCCCCC(C)OCc1ccn[nH]1 34a_100011215632_100000728653 [0,2,0,0,0,0|2,0,0]=4 14244 B14R1.86 CCCCCC(C)OCc1ccn[nH]1 7a_100011215632_100000728653 [0,2,0,0,0,0|2,0,0]=4 14245 B14R1.86 CCCCCC(C)OCc1ccno1 34a_100000740478_200011218191 [0,2,0,0,0,0|1,0,0]=3 14246 B14R1.86 CCCCCC(C)OCc1ccoc1 34a_100011215357_200011218191 [0,2,0,0,0,0|2,0,0]=4 14247 B14R1.86 CCCCCC(C)OCc1ccon1 34a_100011215632_100000234950 [0,2,0,0,0,0|2,0,0]=4 14248 B14R1.86 CCCCCC(C)OCc1ccon1 7a_100011215632_100000234950 [0,2,0,0,0,0|2,0,0]=4 14249 B14R1.86 CCCCCC(C)OCc1ccsc1 34a_100011215551_200011218191 [0,2,0,0,0,0|2,0,0]=4 14250 B14R1.86 CCCCCC(C)OCc1ccsc1 34a_100011215632_100011261437 [0,2,0,0,0,0|2,0,0]=4 14251 B14R1.86 CCCCCC(C)OCc1ccsc1 7a_100011215632_100011261437 [0,2,0,0,0,0|2,0,0]=4 14252 B14R1.86 CCCCCC(C)OCc1cncs1 34a_100011215632_100015185245 [0,2,0,0,0,0|1,1,0]=4 14253 B14R1.86 CCCCCC(C)OCc1cncs1 7a_100011215632_100015185245 [0,2,0,0,0,0|1,1,0]=4 14254 B14R1.86 CCCCCC(C)OCc1cscn1 34a_100011215632_100000205941 [0,2,0,0,0,0|2,0,0]=4 14255 B14R1.86 CCCCCC(C)OCc1cscn1 7a_100011215632_100000205941 [0,2,0,0,0,0|2,0,0]=4 14256 B14R1.86 CCCCCC(C)OCc1ncc[nH]1 34a_100011215632_100016991755 [0,2,0,0,0,0|2,0,0]=4 14257 B14R1.86 CCCCCC(C)OCc1ncc[nH]1 7a_100011215632_100000753453 [0,2,0,0,0,0|2,0,0]=4 14258 B14R1.86 CCCCCC(C)OCc1ncco1 34a_100000062594_200011218191 [0,2,0,0,0,0|1,0,0]=3 14259 B14R1.86 CCCCCC(C)OCc1ncco1 34a_100011215632_103436540062 [0,2,0,0,0,0|1,0,0]=3 14260 B14R1.86 CCCCCC(C)OCc1ncco1 7a_100011215632_103436540062 [0,2,0,0,0,0|1,0,0]=3 14261 B14R1.86 CCCCCC(C)OCc1nccs1 34a_100011215632_100015184050 [0,2,0,0,0,0|1,1,0]=4 14262 B14R1.86 CCCCCC(C)OCc1nccs1 7a_100011215632_100015184050 [0,2,0,0,0,0|1,1,0]=4 14263 B14R1.86 CCCCCC(C)OCn1cccn1 34a_100000731028_200011218191 [0,2,0,0,0,0|2,0,0]=4 14264 B14R1.86 CCCCCC(C)SCc1c[nH]cn1 62a_100000707719_200011218191 [0,2,0,0,0,0|2,0,0]=4 14265 B14R1.86 CCCCCC(C)SCc1c[nH]cn1 62a_200011218191_100000707719 [0,2,0,0,0,0|2,0,0]=4 14266 B14R1.86 CCCCCC(C)SCc1ccn[nH]1 62a_100000728653_200011218191 [0,2,0,0,0,0|2,0,0]=4 14267 B14R1.86 CCCCCC(C)SCc1ccn[nH]1 62a_200011218191_100000728653 [0,2,0,0,0,0|2,0,0]=4 14268 B14R1.86 CCCCCC(C)SCc1ccon1 62a_100000234950_200011218191 [0,2,0,0,0,0|2,0,0]=4 14269 B14R1.86 CCCCCC(C)SCc1ccon1 62a_200011218191_100000234950 [0,2,0,0,0,0|2,0,0]=4 14270 B14R1.86 CCCCCC(C)SCc1ccsc1 62a_100011261437_200011218191 [0,2,0,0,0,0|2,0,0]=4 14271 B14R1.86 CCCCCC(C)SCc1ccsc1 62a_200011218191_100011233845 [0,2,0,0,0,0|2,0,0]=4 14272 B14R1.86 CCCCCC(C)SCc1cncs1 62a_100015185245_200011218191 [0,2,0,0,0,0|1,1,0]=4 14273 B14R1.86 CCCCCC(C)SCc1cncs1 62a_200011218191_100015185245 [0,2,0,0,0,0|1,1,0]=4 14274 B14R1.86 CCCCCC(C)SCc1cscn1 62a_100000205941_200011218191 [0,2,0,0,0,0|2,0,0]=4 14275 B14R1.86 CCCCCC(C)SCc1cscn1 62a_200011218191_100000205941 [0,2,0,0,0,0|2,0,0]=4 14276 B14R1.86 CCCCCC(C)SCc1ncc[nH]1 62a_100016991755_200011218191 [0,2,0,0,0,0|2,0,0]=4 14277 B14R1.86 CCCCCC(C)SCc1ncc[nH]1 62a_200011218191_100016991755 [0,2,0,0,0,0|2,0,0]=4 14278 B14R1.86 CCCCCC(C)SCc1ncco1 62a_103436540062_200011218191 [0,2,0,0,0,0|1,0,0]=3 14279 B14R1.86 CCCCCC(C)SCc1ncco1 62a_200011218191_103436540062 [0,2,0,0,0,0|1,0,0]=3 14280 B14R1.86 CCCCCC(C)SCc1nccs1 62a_100015184050_200011218191 [0,2,0,0,0,0|1,1,0]=4 14281 B14R1.86 CCCCCC(C)SCc1nccs1 62a_200011218191_100015184050 [0,2,0,0,0,0|1,1,0]=4 14282 B14R1.86 CCCCCN(C)CCc1c[nH]cn1 2230a_100000223495_100020628418 [0,2,0,0,0,0|2,0,0]=4 14283 B14R1.86 CCCCCN(C)CCc1c[nH]cn1 269982a_100000223495_100020628418 [0,2,0,0,0,0|2,0,0]=4 14284 B14R1.86 CCCCCN(C)CCc1cccs1 2230a_100000223495_100000748579 [0,2,0,0,0,0|0,1,0]=3 14285 B14R1.86 CCCCCN(C)CCc1cccs1 269982a_100000223495_100000748579 [0,2,0,0,0,0|0,1,0]=3 14286 B14R1.86 CCCCCN(C)CCn1cccc1 2230a_100000223495_200009811947 [0,2,0,0,0,0|2,0,0]=4 14287 B14R1.86 CCCCCN(C)CCn1cccc1 269982a_100000223495_200000035178 [0,2,0,0,0,0|2,0,0]=4 14288 B14R1.86 CCCCCN(C)CCn1cccn1 2230a_100000223495_100000685285 [0,2,0,0,0,0|2,0,0]=4 14289 B14R1.86 CCCCCN(C)CCn1cccn1 269982a_100000223495_100000685285 [0,2,0,0,0,0|2,0,0]=4 14290 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 11a_100000102301_200011998680 [0,2,0,0,0,0|1,0,1]=4 14291 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 240690a_100000102301_200011998680 [0,2,0,0,0,0|1,0,1]=4 14292 B14R1.86 CCCCNC(=O)CCc1ccc[nH]1 527a_100000102301_200011998680 [0,2,0,0,0,0|1,0,1]=4 14293 B14R1.86 CCCCNC(=O)CCc1ccco1 11a_100000102301_100000185103 [0,2,0,0,0,0|0,0,1]=3 14294 B14R1.86 CCCCNC(=O)CCc1ccco1 1626a_100000102301_100000185103 [0,2,0,0,0,0|0,0,1]=3 14295 B14R1.86 CCCCNC(=O)CCc1ccco1 527a_100000102301_100000185103 [0,2,0,0,0,0|0,0,1]=3 14296 B14R1.86 CCCCNC(=O)CCc1cccs1 11a_100000102301_100000185280 [0,2,0,0,0,0|0,1,1]=4 14297 B14R1.86 CCCCNC(=O)CCc1cccs1 1626a_100000102301_100000185280 [0,2,0,0,0,0|0,1,1]=4 14298 B14R1.86 CCCCNC(=O)CCc1cccs1 240690a_100000102301_100000185280 [0,2,0,0,0,0|0,1,1]=4 14299 B14R1.86 CCCCNC(=O)CCc1cccs1 527a_100000102301_100000185280 [0,2,0,0,0,0|0,1,1]=4 14300 B14R1.86 CCCCNC(=O)CSc1ccco1 62a_100000182744_100009814098 [0,2,0,0,0,0|1,0,1]=4 14301 B14R1.86 CCCCNC(=O)CSc1ccco1 62a_100009814098_100000182744 [0,2,0,0,0,0|1,0,1]=4 14302 B14R1.86 CCCCNC(=O)NCc1ccco1 2708a_100000102301_100000185738 [0,2,0,0,0,0|1,0,1]=4 14303 B14R1.86 CCCCNC(=O)NCc1ccco1 2708a_100000185738_100000102301 [0,2,0,0,0,0|1,0,1]=4 14304 B14R1.86 CCCCNC(=O)NCc1ccco1 273464a_100000185738_100000102301 [0,2,0,0,0,0|1,0,1]=4 14305 B14R1.86 CCCCNC(=O)NCc1ccco1 512a_100000102301_100000185738 [0,2,0,0,0,0|1,0,1]=4 14306 B14R1.86 CCCCNC(=O)NCc1ccco1 512a_100000185738_100000102301 [0,2,0,0,0,0|1,0,1]=4 14307 B14R1.86 CCCCNC(C)CCc1ccco1 2230a_100000199034_100000210211 [0,2,0,0,0,0|0,0,0]=2 14308 B14R1.86 CCCCNC(C)CCc1ccco1 34a_100000199034_100000210210 [0,2,0,0,0,0|0,0,0]=2 14309 B14R1.86 CCCCNC(C)CCn1cccn1 270004a_100000102301_100000697638 [0,2,0,0,0,0|2,0,0]=4 14310 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100000211628_100009814098 [0,2,0,0,0,0|1,0,1]=4 14311 B14R1.86 CCCCOC(=O)CSc1ccco1 62a_100009814098_100000211628 [0,2,0,0,0,0|1,0,1]=4 14312 B14R1.86 CCCNCC(=O)NCc1ccco1 2230a_100000741066_100000210303 [0,2,0,0,0,0|1,0,1]=4 14313 B14R1.86 CCCNNC(=O)CCc1ccco1 22a_100000740057_100000185103 [0,2,0,0,0,0|1,0,1]=4 14314 B14R1.86 CCCOCC(=O)CCc1cccs1 1458a_100000745993_100000748579 [0,2,0,0,0,0|0,1,1]=4 14315 B14R1.86 CCCOCC(=O)NCc1ccco1 11a_100000185738_100000745993 [0,2,0,0,0,0|1,0,1]=4 14316 B14R1.86 CCCOCC(=O)NCc1ccco1 1626a_100000185738_100000745993 [0,2,0,0,0,0|1,0,1]=4 14317 B14R1.86 CCCOCC(=O)NCc1ccco1 240690a_100000185738_100000745993 [0,2,0,0,0,0|1,0,1]=4 14318 B14R1.86 CCCOCC(=O)NCc1ccco1 34a_100000210258_100000183421 [0,2,0,0,0,0|1,0,1]=4 14319 B14R1.86 CCCOCC(=O)NCc1ccco1 527a_100000185738_100000745993 [0,2,0,0,0,0|1,0,1]=4 14320 B14R1.86 CCCSCC(=O)CCc1cccs1 1458a_100000217233_100000748579 [0,2,0,0,0,0|0,1,1]=4 14321 B14R1.86 CCCSCC(=O)NCc1ccco1 11a_100000185738_100000217233 [0,2,0,0,0,0|1,0,1]=4 14322 B14R1.86 CCCSCC(=O)NCc1ccco1 1626a_100000185738_100000217233 [0,2,0,0,0,0|1,0,1]=4 14323 B14R1.86 CCCSCC(=O)NCc1ccco1 240690a_100000185738_100000217233 [0,2,0,0,0,0|1,0,1]=4 14324 B14R1.86 CCCSCC(=O)NCc1ccco1 527a_100000185738_100000217233 [0,2,0,0,0,0|1,0,1]=4 14325 B14R1.86 CCCSCC(=O)NCc1ccco1 62a_100000183421_100000210303 [0,2,0,0,0,0|1,0,1]=4 14326 B14R1.86 CCCSCC(=O)NCc1ccco1 62a_100000210303_100000183421 [0,2,0,0,0,0|1,0,1]=4 14327 B14R1.86 CCCSCC(C)NCc1ccco1 270004a_100000185738_100011343953 [0,2,0,0,0,0|1,0,0]=3 14328 B14R1.86 CCCSCC(C)NCc1cccs1 270004a_100000211653_100011343953 [0,2,0,0,0,0|1,1,0]=4 14329 B14R1.86 CCCSCC(C)NCc1cnco1 270004a_100020634212_100011343953 [0,2,0,0,0,0|2,0,0]=4 14330 B14R1.86 CCNCCC(=O)NCc1ccco1 2230a_100015525214_200011194439 [0,2,0,0,0,0|1,0,1]=4 14331 B14R1.86 CCOCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100011215890 [0,2,0,0,0,0|1,0,1]=4 14332 B14R1.86 CCOCCC(=O)CCc1ccco1 1458a_100000185103_100011215890 [0,2,0,0,0,0|0,0,1]=3 14333 B14R1.86 CCOCCC(=O)CCc1cccs1 1458a_100000185280_100011215890 [0,2,0,0,0,0|0,1,1]=4 14334 B14R1.86 CCOCCC(=O)CCc1cccs1 1458a_100000749530_100000748579 [0,2,0,0,0,0|0,1,1]=4 14335 B14R1.86 CCOCCC(=O)NCc1ccco1 11a_100000185738_100000749530 [0,2,0,0,0,0|1,0,1]=4 14336 B14R1.86 CCOCCC(=O)NCc1ccco1 1626a_100000185738_100000749530 [0,2,0,0,0,0|1,0,1]=4 14337 B14R1.86 CCOCCC(=O)NCc1ccco1 240690a_100000185738_100000749530 [0,2,0,0,0,0|1,0,1]=4 14338 B14R1.86 CCOCCC(=O)NCc1ccco1 527a_100000185738_100000749530 [0,2,0,0,0,0|1,0,1]=4 14339 B14R1.86 CCOCCC(C)NCc1ccco1 270004a_100000185738_200011216536 [0,2,0,0,0,0|1,0,0]=3 14340 B14R1.86 CCOCCC(C)NCc1cccs1 270004a_100000211653_200011216536 [0,2,0,0,0,0|1,1,0]=4 14341 B14R1.86 CCOCCC(C)NCc1cnco1 270004a_100020634212_200011216536 [0,2,0,0,0,0|2,0,0]=4 14342 B14R1.86 CCSCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000757381 [0,2,0,0,0,0|1,0,1]=4 14343 B14R1.86 CCSCCC(=O)CCc1ccco1 1458a_100000185103_100000757381 [0,2,0,0,0,0|0,0,1]=3 14344 B14R1.86 CCSCCC(=O)CCc1cccs1 1458a_100000185280_100000757381 [0,2,0,0,0,0|0,1,1]=4 14345 B14R1.86 CCSCCC(=O)CCc1cccs1 1458a_100000230768_100000748579 [0,2,0,0,0,0|0,1,1]=4 14346 B14R1.86 CCSCCC(=O)NCc1ccco1 11a_100000185738_100000230768 [0,2,0,0,0,0|1,0,1]=4 14347 B14R1.86 CCSCCC(=O)NCc1ccco1 1626a_100000185738_100000230768 [0,2,0,0,0,0|1,0,1]=4 14348 B14R1.86 CCSCCC(=O)NCc1ccco1 240690a_100000185738_100000230768 [0,2,0,0,0,0|1,0,1]=4 14349 B14R1.86 CCSCCC(=O)NCc1ccco1 527a_100000185738_100000230768 [0,2,0,0,0,0|1,0,1]=4 14350 B14R1.86 CCSCCC(=O)NCc1ccco1 62a_100000210202_200011194439 [0,2,0,0,0,0|1,0,1]=4 14351 B14R1.86 CCSCCC(=O)NCc1ccco1 62a_200011194439_100000210202 [0,2,0,0,0,0|1,0,1]=4 14352 B14R1.86 CN(CCCCO)CCc1cccs1 2230a_100000717598_100000748579 [0,2,0,0,0,0|1,1,0]=4 14353 B14R1.86 CN(CCCCO)CCc1cccs1 269982a_100000717598_100000748579 [0,2,0,0,0,0|1,1,0]=4 14354 B14R1.86 COCCCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000740836 [0,2,0,0,0,0|1,0,1]=4 14355 B14R1.86 COCCCC(=O)CCc1ccco1 1458a_100000185103_100000740836 [0,2,0,0,0,0|0,0,1]=3 14356 B14R1.86 COCCCC(=O)CCc1cccs1 1458a_100000185280_100000740836 [0,2,0,0,0,0|0,1,1]=4 14357 B14R1.86 COCCCC(=O)CCc1cccs1 1458a_100000741012_100000748579 [0,2,0,0,0,0|0,1,1]=4 14358 B14R1.86 COCCCC(=O)NCc1ccco1 11a_100000185738_100000741012 [0,2,0,0,0,0|1,0,1]=4 14359 B14R1.86 COCCCC(=O)NCc1ccco1 1626a_100000185738_100000741012 [0,2,0,0,0,0|1,0,1]=4 14360 B14R1.86 COCCCC(=O)NCc1ccco1 240690a_100000185738_100000741012 [0,2,0,0,0,0|1,0,1]=4 14361 B14R1.86 COCCCC(=O)NCc1ccco1 527a_100000185738_100000741012 [0,2,0,0,0,0|1,0,1]=4 14362 B14R1.86 COCCCC(C)OCc1ncco1 34a_200011539412_103436540062 [0,2,0,0,0,0|2,0,0]=4 14363 B14R1.86 COCCCC(C)OCc1ncco1 7a_200011539412_103436540062 [0,2,0,0,0,0|2,0,0]=4 14364 B14R1.86 COCCCN(C)CCc1cccs1 2230a_100000224831_100000748579 [0,2,0,0,0,0|1,1,0]=4 14365 B14R1.86 COCCCN(C)CCc1cccs1 269982a_100000224831_100000748579 [0,2,0,0,0,0|1,1,0]=4 14366 B14R1.86 COCCNC(=O)CCc1ccco1 1626a_100000209980_100000185103 [0,2,0,0,0,0|1,0,1]=4 14367 B14R1.86 COCCNC(=O)CCc1ccco1 527a_100000209980_100000185103 [0,2,0,0,0,0|1,0,1]=4 14368 B14R1.86 COCCNC(C)CCc1ccco1 2230a_100000199034_100011201679 [0,2,0,0,0,0|1,0,0]=3 14369 B14R1.86 COCCNC(C)CCc1ccco1 34a_100000199034_100011201679 [0,2,0,0,0,0|1,0,0]=3 14370 B14R1.86 CSCCCC(=O)CCc1cccs1 1458a_100000173376_100000748579 [0,2,0,0,0,0|0,1,1]=4 14371 B14R1.86 CSCCCC(=O)NCc1ccco1 11a_100000185738_100000173376 [0,2,0,0,0,0|1,0,1]=4 14372 B14R1.86 CSCCCC(=O)NCc1ccco1 1626a_100000185738_100000173376 [0,2,0,0,0,0|1,0,1]=4 14373 B14R1.86 CSCCCC(=O)NCc1ccco1 240690a_100000185738_100000173376 [0,2,0,0,0,0|1,0,1]=4 14374 B14R1.86 CSCCCC(=O)NCc1ccco1 527a_100000185738_100000173376 [0,2,0,0,0,0|1,0,1]=4 14375 B14R1.86 CSCCCC(C)NCc1ccco1 270004a_100000185738_100011399439 [0,2,0,0,0,0|1,0,0]=3 14376 B14R1.86 CSCCCC(C)NCc1cccs1 270004a_100000211653_100011399439 [0,2,0,0,0,0|1,1,0]=4 14377 B14R1.86 CSCCCC(C)NCc1cnco1 270004a_100020634212_100011399439 [0,2,0,0,0,0|2,0,0]=4 14378 B14R1.86 CSCCNC(=O)CCc1ccco1 11a_100020590264_100000185103 [0,2,0,0,0,0|1,0,1]=4 14379 B14R1.86 CSCCNC(=O)CCc1ccco1 1626a_100020590264_100000185103 [0,2,0,0,0,0|1,0,1]=4 14380 B14R1.86 CSCCNC(=O)CCc1ccco1 527a_100020590264_100000185103 [0,2,0,0,0,0|1,0,1]=4 14381 B14R1.86 CSCCNC(C)CCc1ccco1 2230a_100000199034_100000751147 [0,2,0,0,0,0|1,0,0]=3 14382 B14R1.86 CSCCNC(C)CCc1ccco1 34a_100000199034_100000212216 [0,2,0,0,0,0|1,0,0]=3 14383 B14R1.86 N#CCCCC(=O)CCc1ccco1 1458a_100000185103_100000211468 [0,2,0,0,0,0|0,0,2]=4 14384 B14R1.86 O=C(CCCCF)CCc1ccc[nH]1 1458a_200011998680_100000729493 [0,2,0,0,0,0|1,0,1]=4 14385 B14R1.86 O=C(CCCCF)CCc1ccco1 1458a_100000185103_100000729493 [0,2,0,0,0,0|0,0,1]=3 14386 B14R1.86 O=C(CCCCF)CCc1cccs1 1458a_100000185280_100000729493 [0,2,0,0,0,0|0,1,1]=4 14387 B14R1.86 O=C(CCCCO)CCc1ccc[nH]1 1458a_200011998680_100000210776 [0,2,0,0,0,0|1,0,1]=4 14388 B14R1.86 O=C(CCCCO)CCc1ccco1 1458a_100000185103_100000210776 [0,2,0,0,0,0|0,0,1]=3 14389 B14R1.86 O=C(CCCCO)CCc1cccs1 1458a_100000185280_100000210776 [0,2,0,0,0,0|0,1,1]=4 14390 B14R1.86 O=C(CCCCO)CCc1cccs1 1458a_100000695505_100000748579 [0,2,0,0,0,0|0,1,1]=4 14391 B14R1.86 O=C(CCCCO)NCc1ccco1 1626a_100000185738_100000695505 [0,2,0,0,0,0|1,0,1]=4 14392 B14R1.86 O=C(CCc1ccco1)NCCCF 11a_100015189416_100000185103 [0,2,0,0,0,0|1,0,1]=4 14393 B14R1.86 O=C(CCc1ccco1)NCCCF 1626a_100015189416_100000185103 [0,2,0,0,0,0|1,0,1]=4 14394 B14R1.86 O=C(CCc1ccco1)NCCCF 527a_100015189416_100000185103 [0,2,0,0,0,0|1,0,1]=4 14395 B14R1.86 O=C(CCc1ccco1)NCCCO 527a_100000182051_100000185103 [0,2,0,0,0,0|1,0,1]=4 14396 B14R1.92 C#CCCCCC(=O)Cc1ccco1 1458a_100011217309_100010269958 [0,2,0,0,0,0|0,0,2]=4 14397 B14R1.92 C#CCCCCN(C)Cc1ccco1 2230a_100000185268_100010269958 [0,2,0,0,0,0|0,0,2]=4 14398 B14R1.92 C#CCCCCN(C)Cc1ccco1 269982a_100000185268_100010269958 [0,2,0,0,0,0|0,0,2]=4 14399 B14R1.92 C#CCCCNC(C)Cc1ccco1 270004a_100000718082_100011216958 [0,2,0,0,0,0|0,0,2]=4 14400 B14R1.92 C#CCCCOC(C)Cc1ccco1 34a_100011803939_100000695029 [0,2,0,0,0,0|0,0,2]=4 14401 B14R1.92 C#CCCCOC(C)Cc1ccco1 7a_100011803939_100011215417 [0,2,0,0,0,0|0,0,2]=4 14402 B14R1.92 C=CCCCCC(=O)Cc1ccco1 1458a_100011217309_100011215482 [0,2,0,0,0,0|0,0,2]=4 14403 B14R1.92 C=CCCCCN(C)Cc1ccco1 2230a_100000185268_100011215482 [0,2,0,0,0,0|0,0,2]=4 14404 B14R1.92 C=CCCCCN(C)Cc1ccco1 269982a_100000185268_100011215482 [0,2,0,0,0,0|0,0,2]=4 14405 B14R1.92 C=CCCCCN(C)Cc1ccco1 270004a_100012000471_100000186105 [0,2,0,0,0,0|0,0,2]=4 14406 B14R1.92 C=CCCCNC(C)Cc1ccco1 270004a_100000700776_100011216958 [0,2,0,0,0,0|0,0,2]=4 14407 B14R1.92 C=CCCCOC(C)Cc1ccco1 34a_100011803939_100000757094 [0,2,0,0,0,0|0,0,2]=4 14408 B14R1.92 C=CCCCOC(C)Cc1ccco1 7a_100011803939_100000757094 [0,2,0,0,0,0|0,0,2]=4 14409 B14R1.92 CC(Cc1ccco1)NCCCCO 270004a_100000750430_100011216958 [0,2,0,0,0,0|1,0,0]=3 14410 B14R1.92 CC(Cc1ccco1)OCCCC#N 7a_100011803939_100000687738 [0,2,0,0,0,0|1,0,1]=4 14411 B14R1.92 CC(Cc1ccco1)OCCCC=O 7a_100011803939_200011292268 [0,2,0,0,0,0|1,0,1]=4 14412 B14R1.92 CC(Cc1ccco1)OCCCCF 34a_100011803939_100000729493 [0,2,0,0,0,0|1,0,0]=3 14413 B14R1.92 CC(Cc1ccco1)OCCCCF 7a_100011803939_100000729493 [0,2,0,0,0,0|1,0,0]=3 14414 B14R1.92 CC(Cc1ccco1)OCCCCO 34a_100011803939_100011216708 [0,2,0,0,0,0|1,0,0]=3 14415 B14R1.92 CC(Cc1ccco1)OCCCCO 7a_100011803939_100000210776 [0,2,0,0,0,0|1,0,0]=3 14416 B14R1.92 CC(Cc1cccs1)NCCCCF 2230a_100000751415_100000729493 [0,2,0,0,0,0|1,1,0]=4 14417 B14R1.92 CC(Cc1cccs1)NCCCCO 2230a_100000751415_100000210776 [0,2,0,0,0,0|1,1,0]=4 14418 B14R1.92 CC/C=C\CCC(=O)Cc1ccco1 1458a_100011217309_100015370543 [0,2,0,0,0,0|0,0,2]=4 14419 B14R1.92 CC/C=C\CCN(C)Cc1ccco1 2230a_100000185268_100015370543 [0,2,0,0,0,0|0,0,2]=4 14420 B14R1.92 CC/C=C\CCN(C)Cc1ccco1 269982a_100000185268_100015370543 [0,2,0,0,0,0|0,0,2]=4 14421 B14R1.92 CC/C=C\COC(C)Cc1ccco1 34a_100011803939_100103147603 [0,2,0,0,0,0|0,0,2]=4 14422 B14R1.92 CC/C=C\COC(C)Cc1ccco1 7a_100011803939_100103147603 [0,2,0,0,0,0|0,0,2]=4 14423 B14R1.92 CCC#CCOC(C)Cc1ccco1 34a_100011803939_100009813939 [0,2,0,0,0,0|0,0,2]=4 14424 B14R1.92 CCC#CCOC(C)Cc1ccco1 7a_100011803939_100009813939 [0,2,0,0,0,0|0,0,2]=4 14425 B14R1.92 CCCCCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210757 [0,2,0,0,0,0|2,0,0]=4 14426 B14R1.92 CCCCCCC(=O)Cc1c[nH]cn1 1458a_100102632555_100000707719 [0,2,0,0,0,0|2,0,0]=4 14427 B14R1.92 CCCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210757 [0,2,0,0,0,0|1,0,0]=3 14428 B14R1.92 CCCCCCC(=O)Cc1ccco1 1458a_100011217309_100000210757 [0,2,0,0,0,0|0,0,0]=2 14429 B14R1.92 CCCCCCC(=O)Cc1cccs1 1458a_100000210189_100000210757 [0,2,0,0,0,0|0,1,0]=3 14430 B14R1.92 CCCCCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210757 [0,2,0,0,0,0|2,0,0]=4 14431 B14R1.92 CCCCCCC(=O)Cc1ccn[nH]1 1458a_100102632555_100000728653 [0,2,0,0,0,0|2,0,0]=4 14432 B14R1.92 CCCCCCC(=O)Cc1ccoc1 1458a_100000684892_100000210757 [0,2,0,0,0,0|2,0,0]=4 14433 B14R1.92 CCCCCCC(=O)Cc1ccon1 1458a_100102632555_100000234950 [0,2,0,0,0,0|2,0,0]=4 14434 B14R1.92 CCCCCCC(=O)Cc1ccsc1 1458a_100000184062_100000210757 [0,2,0,0,0,0|2,0,0]=4 14435 B14R1.92 CCCCCCC(=O)Cc1ccsc1 1458a_100102632555_100011233845 [0,2,0,0,0,0|2,0,0]=4 14436 B14R1.92 CCCCCCC(=O)Cc1cncs1 1458a_100102632555_100015185245 [0,2,0,0,0,0|1,1,0]=4 14437 B14R1.92 CCCCCCC(=O)Cc1cscn1 1458a_100011438297_100000210757 [0,2,0,0,0,0|2,0,0]=4 14438 B14R1.92 CCCCCCC(=O)Cc1cscn1 1458a_100102632555_100000205941 [0,2,0,0,0,0|2,0,0]=4 14439 B14R1.92 CCCCCCC(=O)Cc1ncco1 1458a_100102632555_103436540062 [0,2,0,0,0,0|1,0,0]=3 14440 B14R1.92 CCCCCCC(=O)Cc1nccs1 1458a_100102632555_100015184050 [0,2,0,0,0,0|1,1,0]=4 14441 B14R1.92 CCCCCCC(=O)Cn1cccc1 1458a_100011196272_100000210757 [0,2,0,0,0,0|2,0,0]=4 14442 B14R1.92 CCCCCCC(=O)Cn1cccn1 1458a_100000233772_100000210757 [0,2,0,0,0,0|2,0,0]=4 14443 B14R1.92 CCCCCCC(C)Oc1ccsc1 34a_100000106738_100011215978 [0,2,0,0,0,0|2,0,0]=4 14444 B14R1.92 CCCCCCC(C)Oc1ccsc1 7a_100000106738_100011215978 [0,2,0,0,0,0|2,0,0]=4 14445 B14R1.92 CCCCCCC(C)Sc1c[nH]cn1 62a_100000756875_100011215978 [0,2,0,0,0,0|2,0,0]=4 14446 B14R1.92 CCCCCCC(C)Sc1c[nH]cn1 62a_100011215978_100000756875 [0,2,0,0,0,0|2,0,0]=4 14447 B14R1.92 CCCCCCC(C)Sc1cc[nH]n1 62a_100000062575_100011215978 [0,2,0,0,0,0|2,0,0]=4 14448 B14R1.92 CCCCCCC(C)Sc1cc[nH]n1 62a_100011215978_100000062575 [0,2,0,0,0,0|2,0,0]=4 14449 B14R1.92 CCCCCCC(C)Sc1ccco1 62a_100009814098_100011215978 [0,2,0,0,0,0|0,0,0]=2 14450 B14R1.92 CCCCCCC(C)Sc1ccco1 62a_100011215978_100009814098 [0,2,0,0,0,0|0,0,0]=2 14451 B14R1.92 CCCCCCC(C)Sc1cccs1 62a_100011215356_100011215978 [0,2,0,0,0,0|0,1,0]=3 14452 B14R1.92 CCCCCCC(C)Sc1cccs1 62a_100011215978_100011215356 [0,2,0,0,0,0|0,1,0]=3 14453 B14R1.92 CCCCCCC(C)Sc1ccoc1 62a_100011215275_100011215978 [0,2,0,0,0,0|2,0,0]=4 14454 B14R1.92 CCCCCCC(C)Sc1ccoc1 62a_100011215978_100011215275 [0,2,0,0,0,0|2,0,0]=4 14455 B14R1.92 CCCCCCC(C)Sc1ccon1 62a_100009818083_100011215978 [0,2,0,0,0,0|2,0,0]=4 14456 B14R1.92 CCCCCCC(C)Sc1ccon1 62a_100011215978_100009818083 [0,2,0,0,0,0|2,0,0]=4 14457 B14R1.92 CCCCCCC(C)Sc1ccsc1 62a_100000738268_100011215978 [0,2,0,0,0,0|2,0,0]=4 14458 B14R1.92 CCCCCCC(C)Sc1ccsc1 62a_100011215978_100000738268 [0,2,0,0,0,0|2,0,0]=4 14459 B14R1.92 CCCCCCC(C)Sc1ccsn1 62a_100009818082_100011215978 [0,2,0,0,0,0|2,0,0]=4 14460 B14R1.92 CCCCCCC(C)Sc1ccsn1 62a_100011215978_100009818082 [0,2,0,0,0,0|2,0,0]=4 14461 B14R1.92 CCCCCCC(C)Sc1cnco1 62a_100011215978_100020591547 [0,2,0,0,0,0|1,0,0]=3 14462 B14R1.92 CCCCCCC(C)Sc1cnco1 62a_100020591547_100011215978 [0,2,0,0,0,0|1,0,0]=3 14463 B14R1.92 CCCCCCC(C)Sc1cncs1 62a_100011215978_100011934649 [0,2,0,0,0,0|1,1,0]=4 14464 B14R1.92 CCCCCCC(C)Sc1cncs1 62a_100011934649_100011215978 [0,2,0,0,0,0|1,1,0]=4 14465 B14R1.92 CCCCCCC(C)Sc1cscn1 62a_100000751502_100011215978 [0,2,0,0,0,0|2,0,0]=4 14466 B14R1.92 CCCCCCC(C)Sc1cscn1 62a_100011215978_100000751502 [0,2,0,0,0,0|2,0,0]=4 14467 B14R1.92 CCCCCCC(C)Sc1ncc[nH]1 62a_100011215978_100025796157 [0,2,0,0,0,0|2,0,0]=4 14468 B14R1.92 CCCCCCC(C)Sc1ncc[nH]1 62a_100025796157_100011215978 [0,2,0,0,0,0|2,0,0]=4 14469 B14R1.92 CCCCCCC(C)Sc1ncco1 62a_100011215978_100011787736 [0,2,0,0,0,0|1,0,0]=3 14470 B14R1.92 CCCCCCC(C)Sc1ncco1 62a_100011787736_100011215978 [0,2,0,0,0,0|1,0,0]=3 14471 B14R1.92 CCCCCCC(C)Sc1nccs1 62a_100000211983_100011215978 [0,2,0,0,0,0|1,1,0]=4 14472 B14R1.92 CCCCCCC(C)Sc1nccs1 62a_100011215978_100000211983 [0,2,0,0,0,0|1,1,0]=4 14473 B14R1.92 CCCCCCN(C)Cc1c[nH]cn1 2230a_106256046315_100000707719 [0,2,0,0,0,0|2,0,0]=4 14474 B14R1.92 CCCCCCN(C)Cc1c[nH]cn1 269982a_106256046315_100000707719 [0,2,0,0,0,0|2,0,0]=4 14475 B14R1.92 CCCCCCN(C)Cc1cc[nH]n1 270004a_106256046315_100000738523 [0,2,0,0,0,0|2,0,0]=4 14476 B14R1.92 CCCCCCN(C)Cc1ccco1 2230a_100000185268_100000210314 [0,2,0,0,0,0|0,0,0]=2 14477 B14R1.92 CCCCCCN(C)Cc1ccco1 269982a_100000185268_100000210757 [0,2,0,0,0,0|0,0,0]=2 14478 B14R1.92 CCCCCCN(C)Cc1ccco1 270004a_106256046315_100000186105 [0,2,0,0,0,0|0,0,0]=2 14479 B14R1.92 CCCCCCN(C)Cc1cccs1 2230a_100000184426_100000210314 [0,2,0,0,0,0|0,1,0]=3 14480 B14R1.92 CCCCCCN(C)Cc1cccs1 269982a_100000184426_100000210757 [0,2,0,0,0,0|0,1,0]=3 14481 B14R1.92 CCCCCCN(C)Cc1cccs1 270004a_106256046315_100000209959 [0,2,0,0,0,0|0,1,0]=3 14482 B14R1.92 CCCCCCN(C)Cc1ccn[nH]1 2230a_106256046315_100000728653 [0,2,0,0,0,0|2,0,0]=4 14483 B14R1.92 CCCCCCN(C)Cc1ccn[nH]1 269982a_106256046315_100000728653 [0,2,0,0,0,0|2,0,0]=4 14484 B14R1.92 CCCCCCN(C)Cc1ccoc1 270004a_106256046315_100011215517 [0,2,0,0,0,0|2,0,0]=4 14485 B14R1.92 CCCCCCN(C)Cc1ccon1 2230a_100000757864_100000210314 [0,2,0,0,0,0|2,0,0]=4 14486 B14R1.92 CCCCCCN(C)Cc1ccon1 2230a_106256046315_100000234950 [0,2,0,0,0,0|2,0,0]=4 14487 B14R1.92 CCCCCCN(C)Cc1ccon1 269982a_100000757864_100000210757 [0,2,0,0,0,0|2,0,0]=4 14488 B14R1.92 CCCCCCN(C)Cc1ccon1 269982a_106256046315_100000234950 [0,2,0,0,0,0|2,0,0]=4 14489 B14R1.92 CCCCCCN(C)Cc1ccsc1 2230a_100020654213_100000210314 [0,2,0,0,0,0|2,0,0]=4 14490 B14R1.92 CCCCCCN(C)Cc1ccsc1 2230a_106256046315_100011261437 [0,2,0,0,0,0|2,0,0]=4 14491 B14R1.92 CCCCCCN(C)Cc1ccsc1 269982a_100020654213_100000210757 [0,2,0,0,0,0|2,0,0]=4 14492 B14R1.92 CCCCCCN(C)Cc1ccsc1 269982a_106256046315_100011233845 [0,2,0,0,0,0|2,0,0]=4 14493 B14R1.92 CCCCCCN(C)Cc1ccsc1 270004a_106256046315_100000188534 [0,2,0,0,0,0|2,0,0]=4 14494 B14R1.92 CCCCCCN(C)Cc1cnco1 270004a_106256046315_100000064291 [0,2,0,0,0,0|1,0,0]=3 14495 B14R1.92 CCCCCCN(C)Cc1cncs1 2230a_106256046315_100015185245 [0,2,0,0,0,0|1,1,0]=4 14496 B14R1.92 CCCCCCN(C)Cc1cncs1 269982a_106256046315_100015185245 [0,2,0,0,0,0|1,1,0]=4 14497 B14R1.92 CCCCCCN(C)Cc1cncs1 270004a_106256046315_100000749870 [0,2,0,0,0,0|1,1,0]=4 14498 B14R1.92 CCCCCCN(C)Cc1cocn1 270004a_106256046315_100000050382 [0,2,0,0,0,0|2,0,0]=4 14499 B14R1.92 CCCCCCN(C)Cc1cscn1 2230a_100000225794_100000210314 [0,2,0,0,0,0|2,0,0]=4 14500 B14R1.92 CCCCCCN(C)Cc1cscn1 2230a_106256046315_100000205941 [0,2,0,0,0,0|2,0,0]=4 14501 B14R1.92 CCCCCCN(C)Cc1cscn1 269982a_100000225794_100000210757 [0,2,0,0,0,0|2,0,0]=4 14502 B14R1.92 CCCCCCN(C)Cc1cscn1 269982a_106256046315_100000205941 [0,2,0,0,0,0|2,0,0]=4 14503 B14R1.92 CCCCCCN(C)Cc1cscn1 270004a_106256046315_100000743575 [0,2,0,0,0,0|2,0,0]=4 14504 B14R1.92 CCCCCCN(C)Cc1ncc[nH]1 2230a_100015184136_100000210314 [0,2,0,0,0,0|2,0,0]=4 14505 B14R1.92 CCCCCCN(C)Cc1ncc[nH]1 2230a_106256046315_100016991755 [0,2,0,0,0,0|2,0,0]=4 14506 B14R1.92 CCCCCCN(C)Cc1ncc[nH]1 269982a_100015184136_100000210757 [0,2,0,0,0,0|2,0,0]=4 14507 B14R1.92 CCCCCCN(C)Cc1ncc[nH]1 269982a_106256046315_100016991755 [0,2,0,0,0,0|2,0,0]=4 14508 B14R1.92 CCCCCCN(C)Cc1ncco1 2230a_106256046315_103436540062 [0,2,0,0,0,0|1,0,0]=3 14509 B14R1.92 CCCCCCN(C)Cc1ncco1 269982a_106256046315_103436540062 [0,2,0,0,0,0|1,0,0]=3 14510 B14R1.92 CCCCCCN(C)Cc1ncco1 270004a_106256046315_100000064290 [0,2,0,0,0,0|1,0,0]=3 14511 B14R1.92 CCCCCCN(C)Cc1nccs1 2230a_100000765864_100000210314 [0,2,0,0,0,0|1,1,0]=4 14512 B14R1.92 CCCCCCN(C)Cc1nccs1 2230a_106256046315_100015184050 [0,2,0,0,0,0|1,1,0]=4 14513 B14R1.92 CCCCCCN(C)Cc1nccs1 269982a_100000765864_100000210757 [0,2,0,0,0,0|1,1,0]=4 14514 B14R1.92 CCCCCCN(C)Cc1nccs1 269982a_106256046315_100015184050 [0,2,0,0,0,0|1,1,0]=4 14515 B14R1.92 CCCCCCN(C)Cc1nccs1 270004a_106256046315_100000750902 [0,2,0,0,0,0|1,1,0]=4 14516 B14R1.92 CCCCCNC(=O)Cc1ccc[nH]1 11a_100000209983_100000238377 [0,2,0,0,0,0|1,0,1]=4 14517 B14R1.92 CCCCCNC(=O)Cc1ccc[nH]1 240690a_100000209983_100000238377 [0,2,0,0,0,0|1,0,1]=4 14518 B14R1.92 CCCCCNC(=O)Cc1ccc[nH]1 527a_100000209983_100000238377 [0,2,0,0,0,0|1,0,1]=4 14519 B14R1.92 CCCCCNC(=O)Cc1ccco1 11a_100000209983_100011217309 [0,2,0,0,0,0|0,0,1]=3 14520 B14R1.92 CCCCCNC(=O)Cc1ccco1 527a_100000209983_100011217309 [0,2,0,0,0,0|0,0,1]=3 14521 B14R1.92 CCCCCNC(=O)Cc1cccs1 11a_100000209983_100000210189 [0,2,0,0,0,0|0,1,1]=4 14522 B14R1.92 CCCCCNC(=O)Cc1cccs1 1626a_100000209983_100000210189 [0,2,0,0,0,0|0,1,1]=4 14523 B14R1.92 CCCCCNC(=O)Cc1cccs1 240690a_100000209983_100000210189 [0,2,0,0,0,0|0,1,1]=4 14524 B14R1.92 CCCCCNC(C)Cc1ccco1 270004a_100000209983_100011216958 [0,2,0,0,0,0|0,0,0]=2 14525 B14R1.92 CCCCCNC(C)Cc1cccs1 2230a_100000751415_100000210326 [0,2,0,0,0,0|0,1,0]=3 14526 B14R1.92 CCCCCNC(C)Cc1ccsc1 2230a_100000743546_100000210326 [0,2,0,0,0,0|2,0,0]=4 14527 B14R1.92 CCCCCNC(C)Cc1ccsc1 34a_100000743546_100000718602 [0,2,0,0,0,0|2,0,0]=4 14528 B14R1.92 CCCCCNC(C)Cn1cccn1 2230a_100000738251_100000210326 [0,2,0,0,0,0|2,0,0]=4 14529 B14R1.92 CCCCCOC(C)Cc1ccco1 34a_100011803939_100000718602 [0,2,0,0,0,0|0,0,0]=2 14530 B14R1.92 CCCCCOC(C)Cc1ccco1 7a_100011803939_100000210326 [0,2,0,0,0,0|0,0,0]=2 14531 B14R1.92 CCCCNNC(=O)Cc1ccco1 22a_100025702795_100011217309 [0,2,0,0,0,0|1,0,1]=4 14532 B14R1.92 CCCCOCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011995733 [0,2,0,0,0,0|1,0,1]=4 14533 B14R1.92 CCCCOCC(=O)Cc1ccco1 1458a_100011217309_100011995733 [0,2,0,0,0,0|0,0,1]=3 14534 B14R1.92 CCCCOCC(=O)Cc1cccs1 1458a_100000210189_100011995733 [0,2,0,0,0,0|0,1,1]=4 14535 B14R1.92 CCCCOCC(=O)Cc1ncco1 1458a_100000757543_103436540062 [0,2,0,0,0,0|1,0,1]=4 14536 B14R1.92 CCCCOCC(C)Cn1cccn1 34a_100011934653_100000210210 [0,2,0,0,0,0|2,0,0]=4 14537 B14R1.92 CCCCOCN(C)Cc1ccco1 2230a_100000185268_100011995733 [0,2,0,0,0,0|1,0,0]=3 14538 B14R1.92 CCCCOCN(C)Cc1ccco1 269982a_100000185268_100011995733 [0,2,0,0,0,0|1,0,0]=3 14539 B14R1.92 CCCCOCN(C)Cc1cccs1 2230a_100000184426_100011995733 [0,2,0,0,0,0|1,1,0]=4 14540 B14R1.92 CCCCOCN(C)Cc1cccs1 269982a_100000184426_100011995733 [0,2,0,0,0,0|1,1,0]=4 14541 B14R1.92 CCCCSCC(=O)Cc1ncco1 1458a_100000191162_103436540062 [0,2,0,0,0,0|1,0,1]=4 14542 B14R1.92 CCCOCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011215938 [0,2,0,0,0,0|1,0,1]=4 14543 B14R1.92 CCCOCCC(=O)Cc1ccco1 1458a_100011217309_100011215938 [0,2,0,0,0,0|0,0,1]=3 14544 B14R1.92 CCCOCCC(=O)Cc1cccs1 1458a_100000210189_100011215938 [0,2,0,0,0,0|0,1,1]=4 14545 B14R1.92 CCCOCCN(C)Cc1ccco1 2230a_100000185268_100011215938 [0,2,0,0,0,0|1,0,0]=3 14546 B14R1.92 CCCOCCN(C)Cc1ccco1 269982a_100000185268_100011215938 [0,2,0,0,0,0|1,0,0]=3 14547 B14R1.92 CCCOCCN(C)Cc1cccs1 2230a_100000184426_100011215938 [0,2,0,0,0,0|1,1,0]=4 14548 B14R1.92 CCCOCCN(C)Cc1cccs1 269982a_100000184426_100011215938 [0,2,0,0,0,0|1,1,0]=4 14549 B14R1.92 CCOCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100012232248 [0,2,0,0,0,0|1,0,1]=4 14550 B14R1.92 CCOCCCC(=O)Cc1ccco1 1458a_100011217309_100012232248 [0,2,0,0,0,0|0,0,1]=3 14551 B14R1.92 CCOCCCC(=O)Cc1cccs1 1458a_100000210189_100012232248 [0,2,0,0,0,0|0,1,1]=4 14552 B14R1.92 CCOCCCN(C)Cc1ccco1 2230a_100000185268_100012232248 [0,2,0,0,0,0|1,0,0]=3 14553 B14R1.92 CCOCCCN(C)Cc1ccco1 269982a_100000185268_100012232248 [0,2,0,0,0,0|1,0,0]=3 14554 B14R1.92 CCOCCCN(C)Cc1cccs1 2230a_100000184426_100012232248 [0,2,0,0,0,0|1,1,0]=4 14555 B14R1.92 CCOCCCN(C)Cc1cccs1 269982a_100000184426_100012232248 [0,2,0,0,0,0|1,1,0]=4 14556 B14R1.92 CCOCCNC(=O)Cc1ccco1 11a_100011200944_100011217309 [0,2,0,0,0,0|1,0,1]=4 14557 B14R1.92 CCOCCNC(=O)Cc1ccco1 527a_100011200944_100011217309 [0,2,0,0,0,0|1,0,1]=4 14558 B14R1.92 CCOCCNC(C)Cc1ccco1 270004a_102516460346_100011216958 [0,2,0,0,0,0|1,0,0]=3 14559 B14R1.92 CCOCCNC(C)Cc1cccs1 2230a_100000751415_100011215890 [0,2,0,0,0,0|1,1,0]=4 14560 B14R1.92 CCOCCOC(C)Cc1ccco1 34a_100011803939_100000210147 [0,2,0,0,0,0|1,0,0]=3 14561 B14R1.92 CCOCCOC(C)Cc1ccco1 7a_100011803939_100011215890 [0,2,0,0,0,0|1,0,0]=3 14562 B14R1.92 CCSCCNC(=O)Cc1ccco1 11a_100000106463_100011217309 [0,2,0,0,0,0|1,0,1]=4 14563 B14R1.92 CCSCCNC(=O)Cc1ccco1 527a_100000106463_100011217309 [0,2,0,0,0,0|1,0,1]=4 14564 B14R1.92 CCSCCNC(C)Cc1ccco1 270004a_100000106463_100011216958 [0,2,0,0,0,0|1,0,0]=3 14565 B14R1.92 CCSCCNC(C)Cc1cccs1 2230a_100000751415_100000757381 [0,2,0,0,0,0|1,1,0]=4 14566 B14R1.92 CCSCCOC(C)Cc1ccco1 34a_100011803939_100000757381 [0,2,0,0,0,0|1,0,0]=3 14567 B14R1.92 CCSCCOC(C)Cc1ccco1 7a_100011803939_100000757381 [0,2,0,0,0,0|1,0,0]=3 14568 B14R1.92 CN(CCCCC#N)Cc1ccco1 2230a_100000185268_100000211819 [0,2,0,0,0,0|1,0,1]=4 14569 B14R1.92 CN(CCCCC#N)Cc1ccco1 269982a_100000185268_100011219923 [0,2,0,0,0,0|1,0,1]=4 14570 B14R1.92 CN(CCCCC=O)Cc1ccco1 2230a_100000185268_100000139335 [0,2,0,0,0,0|1,0,1]=4 14571 B14R1.92 CN(CCCCC=O)Cc1ccco1 269982a_100000185268_100000139335 [0,2,0,0,0,0|1,0,1]=4 14572 B14R1.92 CN(CCCCCF)Cc1ccco1 2230a_100000185268_100000729378 [0,2,0,0,0,0|1,0,0]=3 14573 B14R1.92 CN(CCCCCF)Cc1ccco1 269982a_100000185268_100000729378 [0,2,0,0,0,0|1,0,0]=3 14574 B14R1.92 CN(CCCCCF)Cc1cccs1 2230a_100000184426_100000729378 [0,2,0,0,0,0|1,1,0]=4 14575 B14R1.92 CN(CCCCCF)Cc1cccs1 269982a_100000184426_100000729378 [0,2,0,0,0,0|1,1,0]=4 14576 B14R1.92 CN(CCCCCO)Cc1ccco1 2230a_100000185268_100000746330 [0,2,0,0,0,0|1,0,0]=3 14577 B14R1.92 CN(CCCCCO)Cc1ccco1 269982a_100000185268_100000746330 [0,2,0,0,0,0|1,0,0]=3 14578 B14R1.92 CN(CCCCCO)Cc1ccco1 270004a_100000722520_100000186105 [0,2,0,0,0,0|1,0,0]=3 14579 B14R1.92 CN(CCCCCO)Cc1cccs1 2230a_100000184426_100000746330 [0,2,0,0,0,0|1,1,0]=4 14580 B14R1.92 CN(CCCCCO)Cc1cccs1 269982a_100000184426_100000746330 [0,2,0,0,0,0|1,1,0]=4 14581 B14R1.92 CN(CCCCCO)Cc1cccs1 270004a_100000722520_100000209959 [0,2,0,0,0,0|1,1,0]=4 14582 B14R1.92 CN(CCCCCO)Cc1cnco1 270004a_100000722520_100000064291 [0,2,0,0,0,0|2,0,0]=4 14583 B14R1.92 CN(CCCCCO)Cc1ncco1 2230a_100000722520_103436540062 [0,2,0,0,0,0|2,0,0]=4 14584 B14R1.92 CN(CCCCCO)Cc1ncco1 269982a_100000722520_103436540062 [0,2,0,0,0,0|2,0,0]=4 14585 B14R1.92 CN(CCCCCO)Cc1ncco1 270004a_100000722520_100000064290 [0,2,0,0,0,0|2,0,0]=4 14586 B14R1.92 CN(CCOCCO)Cc1ccco1 2230a_100000185268_100011215305 [0,2,0,0,0,0|2,0,0]=4 14587 B14R1.92 CN(CCOCCO)Cc1ccco1 269982a_100000185268_100011215305 [0,2,0,0,0,0|2,0,0]=4 14588 B14R1.92 CN(CCOCCO)Cc1ccco1 270004a_100000228057_100000186105 [0,2,0,0,0,0|2,0,0]=4 14589 B14R1.92 COCCCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000755781 [0,2,0,0,0,0|1,0,1]=4 14590 B14R1.92 COCCCCC(=O)Cc1ccco1 1458a_100011217309_100000755781 [0,2,0,0,0,0|0,0,1]=3 14591 B14R1.92 COCCCCC(=O)Cc1cccs1 1458a_100000210189_100000755781 [0,2,0,0,0,0|0,1,1]=4 14592 B14R1.92 COCCCCN(C)Cc1ccco1 2230a_100000185268_100000730899 [0,2,0,0,0,0|1,0,0]=3 14593 B14R1.92 COCCCCN(C)Cc1ccco1 269982a_100000185268_100000730899 [0,2,0,0,0,0|1,0,0]=3 14594 B14R1.92 COCCCCN(C)Cc1cccs1 2230a_100000184426_100000730899 [0,2,0,0,0,0|1,1,0]=4 14595 B14R1.92 COCCCCN(C)Cc1cccs1 269982a_100000184426_100000730899 [0,2,0,0,0,0|1,1,0]=4 14596 B14R1.92 COCCCNC(=O)Cc1ccco1 527a_100150723488_100011217309 [0,2,0,0,0,0|1,0,1]=4 14597 B14R1.92 COCCCNC(C)Cc1ccco1 270004a_100150723488_100011216958 [0,2,0,0,0,0|1,0,0]=3 14598 B14R1.92 COCCCNC(C)Cc1cccs1 2230a_100000751415_100000740836 [0,2,0,0,0,0|1,1,0]=4 14599 B14R1.92 COCCCOC(C)Cc1ccco1 34a_100011803939_100000740836 [0,2,0,0,0,0|1,0,0]=3 14600 B14R1.92 COCCCOC(C)Cc1ccco1 7a_100011803939_100000740836 [0,2,0,0,0,0|1,0,0]=3 14601 B14R1.92 COCCOCN(C)Cc1ccco1 2230a_100000185268_100000231047 [0,2,0,0,0,0|2,0,0]=4 14602 B14R1.92 COCCOCN(C)Cc1ccco1 269982a_100000185268_100000231047 [0,2,0,0,0,0|2,0,0]=4 14603 B14R1.92 CSCCCNC(=O)Cc1ccco1 11a_100000749238_100011217309 [0,2,0,0,0,0|1,0,1]=4 14604 B14R1.92 CSCCCNC(=O)Cc1ccco1 527a_100000749238_100011217309 [0,2,0,0,0,0|1,0,1]=4 14605 B14R1.92 CSCCCNC(C)Cc1ccco1 270004a_100000749238_100011216958 [0,2,0,0,0,0|1,0,0]=3 14606 B14R1.92 N#CCCCCC(=O)Cc1ccco1 1458a_100011217309_100000211819 [0,2,0,0,0,0|0,0,2]=4 14607 B14R1.92 O=C(CCCCCF)Cc1ccc[nH]1 1458a_100000238377_100000729378 [0,2,0,0,0,0|1,0,1]=4 14608 B14R1.92 O=C(CCCCCF)Cc1ccco1 1458a_100011217309_100000729378 [0,2,0,0,0,0|0,0,1]=3 14609 B14R1.92 O=C(CCCCCF)Cc1cccs1 1458a_100000210189_100000729378 [0,2,0,0,0,0|0,1,1]=4 14610 B14R1.92 O=C(CCCCCO)Cc1ccc[nH]1 1458a_100000238377_100000746330 [0,2,0,0,0,0|1,0,1]=4 14611 B14R1.92 O=C(CCCCCO)Cc1ccco1 1458a_100011217309_100000746330 [0,2,0,0,0,0|0,0,1]=3 14612 B14R1.92 O=C(CCCCCO)Cc1cccs1 1458a_100000210189_100000746330 [0,2,0,0,0,0|0,1,1]=4 14613 B14R1.92 O=C(CCCCCO)Cc1ncco1 1458a_100102619762_103436540062 [0,2,0,0,0,0|1,0,1]=4 14614 B14R1.92 O=C(CCOCCO)Cc1ccco1 1458a_100011217309_100011215305 [0,2,0,0,0,0|1,0,1]=4 14615 B14R1.92 O=C(Cc1ccco1)NCCCCO 527a_100000750430_100011217309 [0,2,0,0,0,0|1,0,1]=4 14616 B14R1.177 C=CCCC(C)NCCc1ccco1 270004a_100000694680_100000762624 [0,2,0,0,0,0|0,0,2]=4 14617 B14R1.177 CC(CCCCl)OCCc1cccs1 34a_200000718107_100000748579 [0,2,0,0,0,0|1,1,0]=4 14618 B14R1.177 CC(CCCCl)OCCc1cccs1 7a_200000718107_100000748579 [0,2,0,0,0,0|1,1,0]=4 14619 B14R1.177 CC(CSCc1ccco1)NCCO 270004a_100000210304_200000149978 [0,2,0,0,0,0|2,0,0]=4 14620 B14R1.177 CCCCC(=O)CCCc1cccs1 1458a_100000184482_100000210211 [0,2,0,0,0,0|0,1,0]=3 14621 B14R1.177 CCCCC(=O)CCCc1cccs1 1458a_100000210183_100010992444 [0,2,0,0,0,0|0,1,0]=3 14622 B14R1.177 CCCCC(=O)CCCn1cccc1 1458a_100000210183_200009814367 [0,2,0,0,0,0|2,0,0]=4 14623 B14R1.177 CCCCC(=O)CCCn1cccc1 1458a_100000691410_100000210211 [0,2,0,0,0,0|2,0,0]=4 14624 B14R1.177 CCCCC(=O)CCCn1cccn1 1458a_100000210183_100000739983 [0,2,0,0,0,0|2,0,0]=4 14625 B14R1.177 CCCCC(=O)CCCn1cccn1 1458a_100000742828_100000210211 [0,2,0,0,0,0|2,0,0]=4 14626 B14R1.177 CCCCC(=O)NCCc1ccco1 11a_100000694680_100000210183 [0,2,0,0,0,0|0,0,1]=3 14627 B14R1.177 CCCCC(=O)NCCc1ccco1 1626a_100000694680_100000210183 [0,2,0,0,0,0|0,0,1]=3 14628 B14R1.177 CCCCC(=O)NCCc1ccco1 240690a_100000694680_100000210183 [0,2,0,0,0,0|0,0,1]=3 14629 B14R1.177 CCCCC(=O)NCCc1ccco1 527a_100000694680_100000210183 [0,2,0,0,0,0|0,0,1]=3 14630 B14R1.177 CCCCC(=O)NCCc1cccs1 11a_100000203755_100000210183 [0,2,0,0,0,0|0,1,1]=4 14631 B14R1.177 CCCCC(=O)NCCc1cccs1 1626a_100000203755_100000210183 [0,2,0,0,0,0|0,1,1]=4 14632 B14R1.177 CCCCC(=O)NCCc1cccs1 240690a_100000203755_100000210183 [0,2,0,0,0,0|0,1,1]=4 14633 B14R1.177 CCCCC(=O)NCCc1cccs1 527a_100000203755_100000210183 [0,2,0,0,0,0|0,1,1]=4 14634 B14R1.177 CCCCC(C)COCc1c[nH]cn1 34a_100011995851_100000707719 [0,2,0,0,0,0|2,0,0]=4 14635 B14R1.177 CCCCC(C)COCc1ccn[nH]1 34a_100011995851_100000728653 [0,2,0,0,0,0|2,0,0]=4 14636 B14R1.177 CCCCC(C)COCc1ccn[nH]1 7a_100011995851_100000728653 [0,2,0,0,0,0|2,0,0]=4 14637 B14R1.177 CCCCC(C)COCc1ccon1 34a_100011995851_100000234950 [0,2,0,0,0,0|2,0,0]=4 14638 B14R1.177 CCCCC(C)COCc1ccon1 7a_100011995851_100000234950 [0,2,0,0,0,0|2,0,0]=4 14639 B14R1.177 CCCCC(C)COCc1ccsc1 34a_100011995851_100011261437 [0,2,0,0,0,0|2,0,0]=4 14640 B14R1.177 CCCCC(C)COCc1ccsc1 7a_100011995851_100011261437 [0,2,0,0,0,0|2,0,0]=4 14641 B14R1.177 CCCCC(C)COCc1cncs1 34a_100011995851_100015185245 [0,2,0,0,0,0|1,1,0]=4 14642 B14R1.177 CCCCC(C)COCc1cncs1 7a_100011995851_100015185245 [0,2,0,0,0,0|1,1,0]=4 14643 B14R1.177 CCCCC(C)COCc1cscn1 34a_100011995851_100000205941 [0,2,0,0,0,0|2,0,0]=4 14644 B14R1.177 CCCCC(C)COCc1cscn1 7a_100011995851_100000205941 [0,2,0,0,0,0|2,0,0]=4 14645 B14R1.177 CCCCC(C)COCc1ncc[nH]1 34a_100011995851_100016991755 [0,2,0,0,0,0|2,0,0]=4 14646 B14R1.177 CCCCC(C)COCc1ncc[nH]1 7a_100011995851_100000753453 [0,2,0,0,0,0|2,0,0]=4 14647 B14R1.177 CCCCC(C)COCc1ncco1 34a_100011995851_103436540062 [0,2,0,0,0,0|1,0,0]=3 14648 B14R1.177 CCCCC(C)COCc1ncco1 7a_100011995851_103436540062 [0,2,0,0,0,0|1,0,0]=3 14649 B14R1.177 CCCCC(C)COCc1nccs1 34a_100011995851_100015184050 [0,2,0,0,0,0|1,1,0]=4 14650 B14R1.177 CCCCC(C)COCc1nccs1 7a_100011995851_100015184050 [0,2,0,0,0,0|1,1,0]=4 14651 B14R1.177 CCCCC(C)NCCc1c[nH]cn1 2230a_100000126638_100020628418 [0,2,0,0,0,0|2,0,0]=4 14652 B14R1.177 CCCCC(C)NCCc1c[nH]cn1 270004a_100000755092_100000210087 [0,2,0,0,0,0|2,0,0]=4 14653 B14R1.177 CCCCC(C)NCCc1ccco1 2230a_100000694680_200011215066 [0,2,0,0,0,0|0,0,0]=2 14654 B14R1.177 CCCCC(C)NCCc1ccco1 270004a_100000694680_100000210087 [0,2,0,0,0,0|0,0,0]=2 14655 B14R1.177 CCCCC(C)NCCc1ccco1 34a_100000694680_200011215066 [0,2,0,0,0,0|0,0,0]=2 14656 B14R1.177 CCCCC(C)NCCc1cccs1 2230a_100000126638_100000748579 [0,2,0,0,0,0|0,1,0]=3 14657 B14R1.177 CCCCC(C)NCCc1cccs1 2230a_100000203755_200011215066 [0,2,0,0,0,0|0,1,0]=3 14658 B14R1.177 CCCCC(C)NCCc1cccs1 270004a_100000203755_100000210087 [0,2,0,0,0,0|0,1,0]=3 14659 B14R1.177 CCCCC(C)NCCc1cccs1 34a_100000203755_200011215066 [0,2,0,0,0,0|0,1,0]=3 14660 B14R1.177 CCCCC(C)NCCc1ccsc1 2230a_100000692642_200011215066 [0,2,0,0,0,0|2,0,0]=4 14661 B14R1.177 CCCCC(C)NCCc1ccsc1 270004a_100000692642_100000210087 [0,2,0,0,0,0|2,0,0]=4 14662 B14R1.177 CCCCC(C)NCCc1ccsc1 34a_100000692642_200011215066 [0,2,0,0,0,0|2,0,0]=4 14663 B14R1.177 CCCCC(C)NCCc1cncs1 2230a_100016991637_200011215066 [0,2,0,0,0,0|1,1,0]=4 14664 B14R1.177 CCCCC(C)NCCc1cncs1 270004a_100016991637_100000210087 [0,2,0,0,0,0|1,1,0]=4 14665 B14R1.177 CCCCC(C)NCCc1ncc[nH]1 270004a_100000754300_100000210087 [0,2,0,0,0,0|2,0,0]=4 14666 B14R1.177 CCCCC(C)NCCc1nccs1 2230a_100015186391_200011215066 [0,2,0,0,0,0|1,1,0]=4 14667 B14R1.177 CCCCC(C)NCCc1nccs1 270004a_100015186391_100000210087 [0,2,0,0,0,0|1,1,0]=4 14668 B14R1.177 CCCCC(C)NCCn1cccc1 2230a_100000126638_200009811947 [0,2,0,0,0,0|2,0,0]=4 14669 B14R1.177 CCCCC(C)NCCn1cccc1 270004a_100011368172_100000210087 [0,2,0,0,0,0|2,0,0]=4 14670 B14R1.177 CCCCC(C)NCCn1cccc1 34a_100011368172_200011215066 [0,2,0,0,0,0|2,0,0]=4 14671 B14R1.177 CCCCC(C)NCCn1cccn1 2230a_100000126638_100000685285 [0,2,0,0,0,0|2,0,0]=4 14672 B14R1.177 CCCCC(C)NCCn1cccn1 2230a_100011200920_200011215066 [0,2,0,0,0,0|2,0,0]=4 14673 B14R1.177 CCCCC(C)NCCn1cccn1 270004a_100011200920_100000210087 [0,2,0,0,0,0|2,0,0]=4 14674 B14R1.177 CCCCC(C)OCCc1c[nH]cn1 7a_100000687866_100020628418 [0,2,0,0,0,0|2,0,0]=4 14675 B14R1.177 CCCCC(C)OCCc1cccs1 34a_100000687866_100000748579 [0,2,0,0,0,0|0,1,0]=3 14676 B14R1.177 CCCCC(C)OCCc1cccs1 34a_100011216825_200011215066 [0,2,0,0,0,0|0,1,0]=3 14677 B14R1.177 CCCCC(C)OCCc1cccs1 7a_100000687866_100000748579 [0,2,0,0,0,0|0,1,0]=3 14678 B14R1.177 CCCCC(C)OCCc1cccs1 7a_100011216825_200011215066 [0,2,0,0,0,0|0,1,0]=3 14679 B14R1.177 CCCCC(C)OCCc1ccsc1 34a_100000748821_200011215066 [0,2,0,0,0,0|2,0,0]=4 14680 B14R1.177 CCCCC(C)OCCc1ncc[nH]1 34a_103549771195_200011215066 [0,2,0,0,0,0|2,0,0]=4 14681 B14R1.177 CCCCC(C)OCCn1cccc1 34a_100000179382_200011215066 [0,2,0,0,0,0|2,0,0]=4 14682 B14R1.177 CCCCC(C)OCCn1cccc1 7a_100000687866_200000035178 [0,2,0,0,0,0|2,0,0]=4 14683 B14R1.177 CCCCC(C)OCCn1cccn1 34a_100000687866_100015204718 [0,2,0,0,0,0|2,0,0]=4 14684 B14R1.177 CCCCC(C)OCCn1cccn1 34a_100000743371_200011215066 [0,2,0,0,0,0|2,0,0]=4 14685 B14R1.177 CCCCC(C)OCCn1cccn1 7a_100000687866_100000685285 [0,2,0,0,0,0|2,0,0]=4 14686 B14R1.177 CCCCC(C)SCCc1c[nH]cn1 62a_100020628418_200011215066 [0,2,0,0,0,0|2,0,0]=4 14687 B14R1.177 CCCCC(C)SCCc1c[nH]cn1 62a_200011215066_100020628418 [0,2,0,0,0,0|2,0,0]=4 14688 B14R1.177 CCCCC(C)SCCc1cccs1 62a_100000748579_200011215066 [0,2,0,0,0,0|0,1,0]=3 14689 B14R1.177 CCCCC(C)SCCc1cccs1 62a_200011215066_100000748579 [0,2,0,0,0,0|0,1,0]=3 14690 B14R1.177 CCCCC(C)SCCn1cccc1 62a_200009811947_200011215066 [0,2,0,0,0,0|2,0,0]=4 14691 B14R1.177 CCCCC(C)SCCn1cccc1 62a_200011215066_200000035178 [0,2,0,0,0,0|2,0,0]=4 14692 B14R1.177 CCCCC(C)SCCn1cccn1 62a_100015204718_200011215066 [0,2,0,0,0,0|2,0,0]=4 14693 B14R1.177 CCCCC(C)SCCn1cccn1 62a_200011215066_100000685285 [0,2,0,0,0,0|2,0,0]=4 14694 B14R1.177 CCCCN(C)CC=Cc1ccco1 270004a_100000207549_100000185671 [0,2,0,0,0,0|0,0,2]=4 14695 B14R1.177 CCCCN(C)CCCc1cccs1 2230a_100000207549_100010992444 [0,2,0,0,0,0|0,1,0]=3 14696 B14R1.177 CCCCN(C)CCCc1cccs1 269982a_100000207549_100010992444 [0,2,0,0,0,0|0,1,0]=3 14697 B14R1.177 CCCCN(C)CCCn1cccc1 2230a_100000207549_200009814367 [0,2,0,0,0,0|2,0,0]=4 14698 B14R1.177 CCCCN(C)CCCn1cccc1 269982a_100000207549_200009814367 [0,2,0,0,0,0|2,0,0]=4 14699 B14R1.177 CCCCN(C)CCCn1cccn1 2230a_100000207549_100000739983 [0,2,0,0,0,0|2,0,0]=4 14700 B14R1.177 CCCCN(C)CCCn1cccn1 269982a_100000207549_100000739983 [0,2,0,0,0,0|2,0,0]=4 14701 B14R1.177 CCCC[C@H](N)COCc1c[nH]cn1 34a_100011934283_100000707719 [0,2,0,0,0,0|2,0,0]=4 14702 B14R1.177 CCCC[C@H](N)COCc1ccn[nH]1 34a_100011934283_100000728653 [0,2,0,0,0,0|2,0,0]=4 14703 B14R1.177 CCCC[C@H](N)COCc1ccon1 34a_100011934283_100000234950 [0,2,0,0,0,0|2,0,0]=4 14704 B14R1.177 CCCC[C@H](N)COCc1ccsc1 34a_100011934283_100011261437 [0,2,0,0,0,0|2,0,0]=4 14705 B14R1.177 CCCC[C@H](N)COCc1cncs1 34a_100011934283_100015185245 [0,2,0,0,0,0|1,1,0]=4 14706 B14R1.177 CCCC[C@H](N)COCc1cscn1 34a_100011934283_100000205941 [0,2,0,0,0,0|2,0,0]=4 14707 B14R1.177 CCCC[C@H](N)COCc1ncc[nH]1 34a_100011934283_100016991755 [0,2,0,0,0,0|2,0,0]=4 14708 B14R1.177 CCCC[C@H](N)COCc1ncco1 34a_100011934283_103436540062 [0,2,0,0,0,0|1,0,0]=3 14709 B14R1.177 CCCC[C@H](N)COCc1nccs1 34a_100011934283_100015184050 [0,2,0,0,0,0|1,1,0]=4 14710 B14R1.177 CCCNC(=O)CCCc1cccs1 11a_100020643023_100000184482 [0,2,0,0,0,0|0,1,1]=4 14711 B14R1.177 CCCNC(=O)CCCc1cccs1 1626a_100020643023_100000184482 [0,2,0,0,0,0|0,1,1]=4 14712 B14R1.177 CCCNC(=O)CCCc1cccs1 240690a_100020643023_100000184482 [0,2,0,0,0,0|0,1,1]=4 14713 B14R1.177 CCCNC(=O)CCCc1cccs1 527a_100020643023_100000184482 [0,2,0,0,0,0|0,1,1]=4 14714 B14R1.177 CCCNC(=O)CNCc1ccco1 2230a_100000185738_100000183358 [0,2,0,0,0,0|1,0,1]=4 14715 B14R1.177 CCCNC(=O)CNCc1ccco1 270004a_100000174927_100000186105 [0,2,0,0,0,0|1,0,1]=4 14716 B14R1.177 CCCNC(=O)CNCc1ccco1 34a_100000185738_100000183358 [0,2,0,0,0,0|1,0,1]=4 14717 B14R1.177 CCCNC(=O)COCc1ccco1 34a_100000210059_100000183358 [0,2,0,0,0,0|1,0,1]=4 14718 B14R1.177 CCCNC(=O)NCCc1ccco1 2708a_100000694680_100020643023 [0,2,0,0,0,0|1,0,1]=4 14719 B14R1.177 CCCNC(=O)NCCc1ccco1 2708a_100020643023_100000694680 [0,2,0,0,0,0|1,0,1]=4 14720 B14R1.177 CCCNC(=O)NCCc1ccco1 273464a_100000694680_100020643023 [0,2,0,0,0,0|1,0,1]=4 14721 B14R1.177 CCCNC(=O)NCCc1ccco1 512a_100000694680_100020643023 [0,2,0,0,0,0|1,0,1]=4 14722 B14R1.177 CCCNC(=O)NCCc1ccco1 512a_100020643023_100000694680 [0,2,0,0,0,0|1,0,1]=4 14723 B14R1.177 CCCNC(C)CSCc1ccco1 270004a_100020643023_200000149978 [0,2,0,0,0,0|1,0,0]=3 14724 B14R1.177 CCCOC(=O)CNCc1ccco1 2230a_100000185738_200011215008 [0,2,0,0,0,0|1,0,1]=4 14725 B14R1.177 CCCOC(=O)CNCc1ccco1 34a_100000185738_200011215008 [0,2,0,0,0,0|1,0,1]=4 14726 B14R1.177 CCCOC(=O)COCc1ccco1 34a_100000210059_200011215008 [0,2,0,0,0,0|1,0,1]=4 14727 B14R1.177 CCCOC(C)CNCc1ccco1 207a_100015185124_100000186105 [0,2,0,0,0,0|1,0,0]=3 14728 B14R1.177 CCCOC(C)CNCc1ccco1 270004a_100015185124_100000186105 [0,2,0,0,0,0|1,0,0]=3 14729 B14R1.177 CCCOC(C)CNCc1cccs1 207a_100015185124_100000209959 [0,2,0,0,0,0|1,1,0]=4 14730 B14R1.177 CCCOC(C)CNCc1cccs1 270004a_100015185124_100000209959 [0,2,0,0,0,0|1,1,0]=4 14731 B14R1.177 CCCOC(C)CNCc1cnco1 270004a_100015185124_100000064291 [0,2,0,0,0,0|2,0,0]=4 14732 B14R1.177 CCCOC(C)CNCc1ncco1 2230a_100015185124_103436540062 [0,2,0,0,0,0|2,0,0]=4 14733 B14R1.177 CCCOC(C)CNCc1ncco1 270004a_100015185124_100000064290 [0,2,0,0,0,0|2,0,0]=4 14734 B14R1.177 CCCOC(C)CNCc1ncco1 34a_100015185124_103436540062 [0,2,0,0,0,0|2,0,0]=4 14735 B14R1.177 CCOCC(=O)CCCc1cccs1 1458a_100000211967_100010992444 [0,2,0,0,0,0|0,1,1]=4 14736 B14R1.177 CCOCC(=O)NCCc1ccco1 11a_100000694680_100000211967 [0,2,0,0,0,0|1,0,1]=4 14737 B14R1.177 CCOCC(=O)NCCc1ccco1 1626a_100000694680_100000211967 [0,2,0,0,0,0|1,0,1]=4 14738 B14R1.177 CCOCC(=O)NCCc1ccco1 240690a_100000694680_100000211967 [0,2,0,0,0,0|1,0,1]=4 14739 B14R1.177 CCOCC(=O)NCCc1ccco1 527a_100000694680_100000211967 [0,2,0,0,0,0|1,0,1]=4 14740 B14R1.177 CCOCC(C)OCCc1cccs1 34a_100000718985_100000748579 [0,2,0,0,0,0|1,1,0]=4 14741 B14R1.177 CCOCC(C)OCCc1cccs1 7a_100000718985_100000748579 [0,2,0,0,0,0|1,1,0]=4 14742 B14R1.177 CCOCC(O)CNCc1ccco1 207a_102515437182_100000186105 [0,2,0,0,0,0|1,0,0]=3 14743 B14R1.177 CCOCC(O)CNCc1ccco1 270004a_102515437182_100000186105 [0,2,0,0,0,0|1,0,0]=3 14744 B14R1.177 CCOCC(O)CNCc1cccs1 207a_102515437182_100000209959 [0,2,0,0,0,0|1,1,0]=4 14745 B14R1.177 CCOCC(O)CNCc1cccs1 270004a_102515437182_100000209959 [0,2,0,0,0,0|1,1,0]=4 14746 B14R1.177 CCOCC(O)CNCc1cnco1 270004a_102515437182_100000064291 [0,2,0,0,0,0|2,0,0]=4 14747 B14R1.177 CCOCC(O)CNCc1ncco1 2230a_102515437182_103436540062 [0,2,0,0,0,0|2,0,0]=4 14748 B14R1.177 CCOCC(O)CNCc1ncco1 270004a_102515437182_100000064290 [0,2,0,0,0,0|2,0,0]=4 14749 B14R1.177 CCOCC(O)CNCc1ncco1 34a_102515437182_103436540062 [0,2,0,0,0,0|2,0,0]=4 14750 B14R1.177 CCSCC(=O)CCCc1cccs1 1458a_100000230394_100010992444 [0,2,0,0,0,0|0,1,1]=4 14751 B14R1.177 CCSCC(=O)NCCc1ccco1 11a_100000694680_100000230394 [0,2,0,0,0,0|1,0,1]=4 14752 B14R1.177 CCSCC(=O)NCCc1ccco1 1626a_100000694680_100000230394 [0,2,0,0,0,0|1,0,1]=4 14753 B14R1.177 CCSCC(=O)NCCc1ccco1 240690a_100000694680_100000230394 [0,2,0,0,0,0|1,0,1]=4 14754 B14R1.177 CCSCC(=O)NCCc1ccco1 527a_100000694680_100000230394 [0,2,0,0,0,0|1,0,1]=4 14755 B14R1.177 CCSCC(C)NCCc1ccco1 270004a_100000694680_200011216171 [0,2,0,0,0,0|1,0,0]=3 14756 B14R1.177 CCSCC(C)NCCc1cccs1 270004a_100000203755_200011216171 [0,2,0,0,0,0|1,1,0]=4 14757 B14R1.177 CN(CCCO)CCCc1cccs1 2230a_100000213112_100010992444 [0,2,0,0,0,0|1,1,0]=4 14758 B14R1.177 CN(CCCO)CCCc1cccs1 269982a_100000213112_100010992444 [0,2,0,0,0,0|1,1,0]=4 14759 B14R1.177 COCCC(=O)CCCc1cccs1 1458a_100000184482_100000233755 [0,2,0,0,0,0|0,1,1]=4 14760 B14R1.177 COCCC(=O)CCCc1cccs1 1458a_100000749529_100010992444 [0,2,0,0,0,0|0,1,1]=4 14761 B14R1.177 COCCC(=O)NCCc1ccco1 11a_100000694680_100000749529 [0,2,0,0,0,0|1,0,1]=4 14762 B14R1.177 COCCC(=O)NCCc1ccco1 1626a_100000694680_100000749529 [0,2,0,0,0,0|1,0,1]=4 14763 B14R1.177 COCCC(=O)NCCc1ccco1 240690a_100000694680_100000749529 [0,2,0,0,0,0|1,0,1]=4 14764 B14R1.177 COCCC(=O)NCCc1ccco1 527a_100000694680_100000749529 [0,2,0,0,0,0|1,0,1]=4 14765 B14R1.177 COCCC(C)NCCc1ccco1 270004a_100000694680_100000742357 [0,2,0,0,0,0|1,0,0]=3 14766 B14R1.177 COCCC(C)NCCc1cccs1 270004a_100000203755_100000742357 [0,2,0,0,0,0|1,1,0]=4 14767 B14R1.177 COCCN(C)CCCc1cccs1 2230a_100000743101_100010992444 [0,2,0,0,0,0|1,1,0]=4 14768 B14R1.177 COCCN(C)CCCc1cccs1 269982a_100000743101_100010992444 [0,2,0,0,0,0|1,1,0]=4 14769 B14R1.177 CSCCC(=O)CCCc1cccs1 1458a_100000174002_100010992444 [0,2,0,0,0,0|0,1,1]=4 14770 B14R1.177 CSCCC(=O)CCCc1cccs1 1458a_100000184482_100000751147 [0,2,0,0,0,0|0,1,1]=4 14771 B14R1.177 CSCCC(=O)NCCc1ccco1 11a_100000694680_100000174002 [0,2,0,0,0,0|1,0,1]=4 14772 B14R1.177 CSCCC(=O)NCCc1ccco1 1626a_100000694680_100000174002 [0,2,0,0,0,0|1,0,1]=4 14773 B14R1.177 CSCCC(=O)NCCc1ccco1 240690a_100000694680_100000174002 [0,2,0,0,0,0|1,0,1]=4 14774 B14R1.177 CSCCC(=O)NCCc1ccco1 527a_100000694680_100000174002 [0,2,0,0,0,0|1,0,1]=4 14775 B14R1.177 CSCCC(C)NCCc1ccco1 270004a_100000694680_100011217047 [0,2,0,0,0,0|1,0,0]=3 14776 B14R1.177 CSCCC(C)NCCc1cccs1 270004a_100000203755_100011217047 [0,2,0,0,0,0|1,1,0]=4 14777 B14R1.177 CSCCN(C)CCCc1cccs1 2230a_100000686725_100010992444 [0,2,0,0,0,0|1,1,0]=4 14778 B14R1.177 CSCCN(C)CCCc1cccs1 269982a_100000686725_100010992444 [0,2,0,0,0,0|1,1,0]=4 14779 B14R1.177 CSCC[C@H](N)COCc1ncco1 34a_100011827619_103436540062 [0,2,0,0,0,0|2,0,0]=4 14780 B14R1.177 C[C@H](CCCO)CNCc1ccco1 207a_100160569302_100000186105 [0,2,0,0,0,0|1,0,0]=3 14781 B14R1.177 C[C@H](CCCO)CNCc1ccco1 270004a_100160569302_100000186105 [0,2,0,0,0,0|1,0,0]=3 14782 B14R1.177 C[C@H](CCCO)CNCc1cccs1 207a_100160569302_100000209959 [0,2,0,0,0,0|1,1,0]=4 14783 B14R1.177 C[C@H](CCCO)CNCc1cccs1 270004a_100160569302_100000209959 [0,2,0,0,0,0|1,1,0]=4 14784 B14R1.177 C[C@H](CCCO)CNCc1cnco1 270004a_100160569302_100000064291 [0,2,0,0,0,0|2,0,0]=4 14785 B14R1.177 C[C@H](CCCO)CNCc1ncco1 2230a_100160569302_103436540062 [0,2,0,0,0,0|2,0,0]=4 14786 B14R1.177 C[C@H](CCCO)CNCc1ncco1 270004a_100160569302_100000064290 [0,2,0,0,0,0|2,0,0]=4 14787 B14R1.177 C[C@H](CCCO)CNCc1ncco1 34a_100160569302_103436540062 [0,2,0,0,0,0|2,0,0]=4 14788 B14R1.177 O=C(CCCF)CCCc1cccs1 1458a_100000184482_100011934791 [0,2,0,0,0,0|0,1,1]=4 14789 B14R1.177 O=C(CCCO)CCCc1cccs1 1458a_100000184482_100011215043 [0,2,0,0,0,0|0,1,1]=4 14790 B14R1.216 C#CCCCCNCc1occc1C 207a_100000706060_100000763527 [0,2,0,0,0,0|0,0,2]=4 14791 B14R1.216 C#CCCCCOCc1occc1C 34a_100011273948_100010269958 [0,2,0,0,0,0|0,0,2]=4 14792 B14R1.216 C#CCCCCOCc1occc1C 7a_100011273948_100010269958 [0,2,0,0,0,0|0,0,2]=4 14793 B14R1.216 C=CCCCCNCc1occc1Br 270004a_100000703577_100000756499 [0,2,0,0,0,0|0,0,2]=4 14794 B14R1.216 C=CCCCCNCc1occc1C 207a_100000703577_100000763527 [0,2,0,0,0,0|0,0,2]=4 14795 B14R1.216 C=CCCCCNCc1occc1C 270004a_100000703577_100000763527 [0,2,0,0,0,0|0,0,2]=4 14796 B14R1.216 C=CCCCCOCc1occc1C 34a_100011273948_100011215482 [0,2,0,0,0,0|0,0,2]=4 14797 B14R1.216 C=CCCCCOCc1occc1C 7a_100011273948_100011215482 [0,2,0,0,0,0|0,0,2]=4 14798 B14R1.216 CC/C=C\CCOCc1occc1C 34a_100011273948_100015370543 [0,2,0,0,0,0|0,0,2]=4 14799 B14R1.216 CC/C=C\CCOCc1occc1C 7a_100011273948_100015370543 [0,2,0,0,0,0|0,0,2]=4 14800 B14R1.216 CCCCCCC=Cc1sccc1Br 271570a_200015348155_100012361411 [0,2,0,0,0,0|0,1,1]=4 14801 B14R1.216 CCCCCCC=Cc1sccc1C 271570a_200015348155_100000742657 [0,2,0,0,0,0|0,1,1]=4 14802 B14R1.216 CCCCCCCCc1ccsc1O 271570a_203496583355_100010174799 [0,2,0,0,0,0|2,0,0]=4 14803 B14R1.216 CCCCCCCOc1ccnn1C 34a_100020632926_100000210614 [0,2,0,0,0,0|2,0,0]=4 14804 B14R1.216 CCCCCCCSc1[nH]cnc1Cl 62a_100000210614_100010200774 [0,2,0,0,0,0|2,0,0]=4 14805 B14R1.216 CCCCCCCSc1[nH]cnc1Cl 62a_100010200774_100000210316 [0,2,0,0,0,0|2,0,0]=4 14806 B14R1.216 CCCCCCCSc1ccnn1C 62a_100000210614_100000688441 [0,2,0,0,0,0|2,0,0]=4 14807 B14R1.216 CCCCCCCSc1ccnn1C 62a_100000688441_100000210316 [0,2,0,0,0,0|2,0,0]=4 14808 B14R1.216 CCCCCCCSc1ccsc1C 62a_100000210614_100000684487 [0,2,0,0,0,0|2,0,0]=4 14809 B14R1.216 CCCCCCCSc1ccsc1C 62a_100000684487_100000210316 [0,2,0,0,0,0|2,0,0]=4 14810 B14R1.216 CCCCCCCSc1cncn1C 62a_100000210614_100009814087 [0,2,0,0,0,0|2,0,0]=4 14811 B14R1.216 CCCCCCCSc1cncn1C 62a_100009814087_100000210316 [0,2,0,0,0,0|2,0,0]=4 14812 B14R1.216 CCCCCCCSc1cscc1Br 62a_100000210614_100010143727 [0,2,0,0,0,0|2,0,0]=4 14813 B14R1.216 CCCCCCCSc1cscc1Br 62a_100010143727_100000210316 [0,2,0,0,0,0|2,0,0]=4 14814 B14R1.216 CCCCCCCSc1cscc1C 62a_100000210614_100000759966 [0,2,0,0,0,0|2,0,0]=4 14815 B14R1.216 CCCCCCCSc1cscc1C 62a_100000759966_100000210316 [0,2,0,0,0,0|2,0,0]=4 14816 B14R1.216 CCCCCCCSc1n[nH]cc1Br 62a_100000210614_100015839836 [0,2,0,0,0,0|2,0,0]=4 14817 B14R1.216 CCCCCCCSc1n[nH]cc1Br 62a_100015839836_100000210316 [0,2,0,0,0,0|2,0,0]=4 14818 B14R1.216 CCCCCCCSc1n[nH]cc1C 62a_100000210614_100009871783 [0,2,0,0,0,0|2,0,0]=4 14819 B14R1.216 CCCCCCCSc1n[nH]cc1C 62a_100009871783_100000210316 [0,2,0,0,0,0|2,0,0]=4 14820 B14R1.216 CCCCCCCSc1n[nH]cc1N 62a_100000210614_100010894806 [0,2,0,0,0,0|2,0,0]=4 14821 B14R1.216 CCCCCCCSc1n[nH]cc1N 62a_100010894806_100000210316 [0,2,0,0,0,0|2,0,0]=4 14822 B14R1.216 CCCCCCCSc1nc[nH]c1C 62a_100000210614_100010186451 [0,2,0,0,0,0|2,0,0]=4 14823 B14R1.216 CCCCCCCSc1nc[nH]c1C 62a_100010186451_100000210316 [0,2,0,0,0,0|2,0,0]=4 14824 B14R1.216 CCCCCCCSc1nccn1C 62a_100000210614_100000707724 [0,2,0,0,0,0|2,0,0]=4 14825 B14R1.216 CCCCCCCSc1nccn1C 62a_100000707724_100000210316 [0,2,0,0,0,0|2,0,0]=4 14826 B14R1.216 CCCCCCCSc1ncsc1C 62a_100000210614_100000732656 [0,2,0,0,0,0|2,0,0]=4 14827 B14R1.216 CCCCCCCSc1ncsc1C 62a_100000732656_100000210316 [0,2,0,0,0,0|2,0,0]=4 14828 B14R1.216 CCCCCCCSc1sccc1Br 62a_100000210614_100012361411 [0,2,0,0,0,0|0,1,0]=3 14829 B14R1.216 CCCCCCCSc1sccc1Br 62a_100012361411_100000210316 [0,2,0,0,0,0|0,1,0]=3 14830 B14R1.216 CCCCCCCSc1sccc1C 62a_100000210614_100010247149 [0,2,0,0,0,0|0,1,0]=3 14831 B14R1.216 CCCCCCCSc1sccc1C 62a_100010247149_100000210316 [0,2,0,0,0,0|0,1,0]=3 14832 B14R1.216 CCCCCCCSc1scnc1C 62a_100000210614_100009817116 [0,2,0,0,0,0|1,1,0]=4 14833 B14R1.216 CCCCCCCSc1scnc1C 62a_100009817116_100000210316 [0,2,0,0,0,0|1,1,0]=4 14834 B14R1.216 CCCCCCNCc1[nH]ncc1Br 207a_100000210581_100000732679 [0,2,0,0,0,0|2,0,0]=4 14835 B14R1.216 CCCCCCNCc1[nH]ncc1Br 270004a_100000210581_100000732679 [0,2,0,0,0,0|2,0,0]=4 14836 B14R1.216 CCCCCCNCc1[nH]ncc1C 207a_100000210581_100000708485 [0,2,0,0,0,0|2,0,0]=4 14837 B14R1.216 CCCCCCNCc1[nH]ncc1C 270004a_100000210581_100000708485 [0,2,0,0,0,0|2,0,0]=4 14838 B14R1.216 CCCCCCNCc1cccn1C 270004a_100000210581_100000211633 [0,2,0,0,0,0|1,0,0]=3 14839 B14R1.216 CCCCCCNCc1cccn1C 34a_100011219357_100000210314 [0,2,0,0,0,0|1,0,0]=3 14840 B14R1.216 CCCCCCNCc1ccnn1C 207a_100000210581_100000737161 [0,2,0,0,0,0|2,0,0]=4 14841 B14R1.216 CCCCCCNCc1ccnn1C 2230a_100000210581_100000691648 [0,2,0,0,0,0|2,0,0]=4 14842 B14R1.216 CCCCCCNCc1ccnn1C 270004a_100000210581_100000737161 [0,2,0,0,0,0|2,0,0]=4 14843 B14R1.216 CCCCCCNCc1ccnn1C 34a_100025706696_100000210314 [0,2,0,0,0,0|2,0,0]=4 14844 B14R1.216 CCCCCCNCc1ccsc1Br 207a_100000210581_100009816921 [0,2,0,0,0,0|2,0,0]=4 14845 B14R1.216 CCCCCCNCc1ccsc1Br 2230a_100000210581_100009814289 [0,2,0,0,0,0|2,0,0]=4 14846 B14R1.216 CCCCCCNCc1ccsc1Br 2230a_100000727803_100000210314 [0,2,0,0,0,0|2,0,0]=4 14847 B14R1.216 CCCCCCNCc1ccsc1Br 270004a_100000210581_100009816921 [0,2,0,0,0,0|2,0,0]=4 14848 B14R1.216 CCCCCCNCc1ccsc1Br 34a_100000727803_100000210314 [0,2,0,0,0,0|2,0,0]=4 14849 B14R1.216 CCCCCCNCc1ccsc1Cl 207a_100000210581_100000089901 [0,2,0,0,0,0|2,0,0]=4 14850 B14R1.216 CCCCCCNCc1ccsc1Cl 2230a_100000210581_100010167017 [0,2,0,0,0,0|2,0,0]=4 14851 B14R1.216 CCCCCCNCc1ccsc1Cl 270004a_100000210581_100000089901 [0,2,0,0,0,0|2,0,0]=4 14852 B14R1.216 CCCCCCNCc1cncn1C 207a_100000210581_100000750899 [0,2,0,0,0,0|2,0,0]=4 14853 B14R1.216 CCCCCCNCc1cncn1C 270004a_100000210581_100000750899 [0,2,0,0,0,0|2,0,0]=4 14854 B14R1.216 CCCCCCNCc1cscc1Br 207a_100000210581_100000685484 [0,2,0,0,0,0|2,0,0]=4 14855 B14R1.216 CCCCCCNCc1cscc1Br 270004a_100000210581_100000685484 [0,2,0,0,0,0|2,0,0]=4 14856 B14R1.216 CCCCCCNCc1n[nH]cc1Cl 207a_100000210581_100000040271 [0,2,0,0,0,0|2,0,0]=4 14857 B14R1.216 CCCCCCNCc1n[nH]cc1Cl 270004a_100000210581_100000040271 [0,2,0,0,0,0|2,0,0]=4 14858 B14R1.216 CCCCCCNCc1nc[nH]c1C 207a_100000210581_100000032982 [0,2,0,0,0,0|2,0,0]=4 14859 B14R1.216 CCCCCCNCc1nc[nH]c1C 2230a_100000210581_100000751220 [0,2,0,0,0,0|2,0,0]=4 14860 B14R1.216 CCCCCCNCc1nccn1C 207a_100000210581_100000748660 [0,2,0,0,0,0|2,0,0]=4 14861 B14R1.216 CCCCCCNCc1nccn1C 2230a_100000210581_100000700302 [0,2,0,0,0,0|2,0,0]=4 14862 B14R1.216 CCCCCCNCc1nccn1C 2230a_100015186572_100000210314 [0,2,0,0,0,0|2,0,0]=4 14863 B14R1.216 CCCCCCNCc1nccn1C 270004a_100000210581_100000748660 [0,2,0,0,0,0|2,0,0]=4 14864 B14R1.216 CCCCCCNCc1ncoc1C 2230a_100000210581_200000693990 [0,2,0,0,0,0|2,0,0]=4 14865 B14R1.216 CCCCCCNCc1occc1Br 270004a_100000210581_100000756499 [0,2,0,0,0,0|0,0,0]=2 14866 B14R1.216 CCCCCCNCc1occc1C 207a_100000210581_100000763527 [0,2,0,0,0,0|0,0,0]=2 14867 B14R1.216 CCCCCCNCc1occc1C 270004a_100000210581_100000763527 [0,2,0,0,0,0|0,0,0]=2 14868 B14R1.216 CCCCCCNCc1sccc1Br 207a_100000210581_100000766043 [0,2,0,0,0,0|0,1,0]=3 14869 B14R1.216 CCCCCCNCc1sccc1Br 270004a_100000210581_100000766043 [0,2,0,0,0,0|0,1,0]=3 14870 B14R1.216 CCCCCCNCc1sccc1C 207a_100000210581_100000210881 [0,2,0,0,0,0|0,1,0]=3 14871 B14R1.216 CCCCCCNCc1sccc1C 2230a_100000238519_100000210314 [0,2,0,0,0,0|0,1,0]=3 14872 B14R1.216 CCCCCCNCc1sccc1C 270004a_100000210581_100000210881 [0,2,0,0,0,0|0,1,0]=3 14873 B14R1.216 CCCCCCNCc1sccc1C 34a_100000238519_100000210314 [0,2,0,0,0,0|0,1,0]=3 14874 B14R1.216 CCCCCCNCc1sccc1Cl 207a_100000210581_100000722334 [0,2,0,0,0,0|0,1,0]=3 14875 B14R1.216 CCCCCCNCc1sccc1Cl 2230a_100011934584_100000210314 [0,2,0,0,0,0|0,1,0]=3 14876 B14R1.216 CCCCCCNCc1sccc1Cl 270004a_100000210581_100000722334 [0,2,0,0,0,0|0,1,0]=3 14877 B14R1.216 CCCCCCNCc1sccc1Cl 34a_100011934584_100000210314 [0,2,0,0,0,0|0,1,0]=3 14878 B14R1.216 CCCCCCNCc1scnc1C 207a_100000210581_100000764165 [0,2,0,0,0,0|1,1,0]=4 14879 B14R1.216 CCCCCCNCc1scnc1C 2230a_100000752186_100000210314 [0,2,0,0,0,0|1,1,0]=4 14880 B14R1.216 CCCCCCOCc1ccnn1C 34a_100000210259_100000691648 [0,2,0,0,0,0|2,0,0]=4 14881 B14R1.216 CCCCCCOCc1ccnn1C 34a_100000684702_100000210314 [0,2,0,0,0,0|2,0,0]=4 14882 B14R1.216 CCCCCCOCc1ccnn1C 7a_100000210259_100000691648 [0,2,0,0,0,0|2,0,0]=4 14883 B14R1.216 CCCCCCOCc1ccoc1C 34a_100011219433_100000210314 [0,2,0,0,0,0|2,0,0]=4 14884 B14R1.216 CCCCCCOCc1ccoc1C 7a_100011219433_100000210314 [0,2,0,0,0,0|2,0,0]=4 14885 B14R1.216 CCCCCCOCc1ccsc1Br 34a_100000210259_100009814289 [0,2,0,0,0,0|2,0,0]=4 14886 B14R1.216 CCCCCCOCc1ccsc1Br 34a_100009816922_100000210314 [0,2,0,0,0,0|2,0,0]=4 14887 B14R1.216 CCCCCCOCc1ccsc1Br 7a_100000210259_100009814289 [0,2,0,0,0,0|2,0,0]=4 14888 B14R1.216 CCCCCCOCc1ccsc1Br 7a_100009816922_100000210314 [0,2,0,0,0,0|2,0,0]=4 14889 B14R1.216 CCCCCCOCc1ccsc1Cl 34a_100000210259_100010167017 [0,2,0,0,0,0|2,0,0]=4 14890 B14R1.216 CCCCCCOCc1ccsc1Cl 7a_100000210259_100010167017 [0,2,0,0,0,0|2,0,0]=4 14891 B14R1.216 CCCCCCOCc1cscc1Br 34a_100000724555_100000210314 [0,2,0,0,0,0|2,0,0]=4 14892 B14R1.216 CCCCCCOCc1nccn1C 34a_100000210259_100000700302 [0,2,0,0,0,0|2,0,0]=4 14893 B14R1.216 CCCCCCOCc1nccn1C 7a_100000210259_100000700302 [0,2,0,0,0,0|2,0,0]=4 14894 B14R1.216 CCCCCCOCc1nccn1C 7a_100000691215_100000210314 [0,2,0,0,0,0|2,0,0]=4 14895 B14R1.216 CCCCCCOCc1ncoc1C 34a_100000210259_200000693990 [0,2,0,0,0,0|2,0,0]=4 14896 B14R1.216 CCCCCCOCc1ncoc1C 34a_100012017639_100000210314 [0,2,0,0,0,0|2,0,0]=4 14897 B14R1.216 CCCCCCOCc1ncoc1C 7a_100000210259_200000693990 [0,2,0,0,0,0|2,0,0]=4 14898 B14R1.216 CCCCCCOCc1occc1C 34a_100011273948_100000210314 [0,2,0,0,0,0|0,0,0]=2 14899 B14R1.216 CCCCCCOCc1occc1C 7a_100011273948_100000210314 [0,2,0,0,0,0|0,0,0]=2 14900 B14R1.216 CCCCCCOCc1ocnc1C 34a_100000717716_100000210314 [0,2,0,0,0,0|1,0,0]=3 14901 B14R1.216 CCCCCCOCc1ocnc1C 7a_100000717716_100000210314 [0,2,0,0,0,0|1,0,0]=3 14902 B14R1.216 CCCCCCOCc1oncc1C 34a_200011065769_100000210314 [0,2,0,0,0,0|1,0,0]=3 14903 B14R1.216 CCCCCCOCc1sccc1Br 34a_100000702026_100000210314 [0,2,0,0,0,0|0,1,0]=3 14904 B14R1.216 CCCCCCOCc1sccc1C 34a_100000238368_100000210314 [0,2,0,0,0,0|0,1,0]=3 14905 B14R1.216 CCCCCCOCc1sccc1C 7a_100000238368_100000210314 [0,2,0,0,0,0|0,1,0]=3 14906 B14R1.216 CCCCCCOCc1sccc1Cl 34a_100000722387_100000210314 [0,2,0,0,0,0|0,1,0]=3 14907 B14R1.216 CCCCCCOCc1sccc1Cl 7a_100000722387_100000210314 [0,2,0,0,0,0|0,1,0]=3 14908 B14R1.216 CCCCCCOCc1scnc1Br 7a_100012000948_100000210314 [0,2,0,0,0,0|1,1,0]=4 14909 B14R1.216 CCCCCCOCc1scnc1C 34a_100000750112_100000210314 [0,2,0,0,0,0|1,1,0]=4 14910 B14R1.216 CCCCCCOCc1scnc1C 7a_100000750112_100000210314 [0,2,0,0,0,0|1,1,0]=4 14911 B14R1.216 CCCCCCSCc1ccnn1C 62a_100000210314_100000691648 [0,2,0,0,0,0|2,0,0]=4 14912 B14R1.216 CCCCCCSCc1ccnn1C 62a_100000691648_100000210757 [0,2,0,0,0,0|2,0,0]=4 14913 B14R1.216 CCCCCCSCc1ccsc1Br 62a_100000210314_100009814289 [0,2,0,0,0,0|2,0,0]=4 14914 B14R1.216 CCCCCCSCc1ccsc1Br 62a_100009814289_100000210757 [0,2,0,0,0,0|2,0,0]=4 14915 B14R1.216 CCCCCCSCc1ccsc1Cl 62a_100000210314_100010167017 [0,2,0,0,0,0|2,0,0]=4 14916 B14R1.216 CCCCCCSCc1ccsc1Cl 62a_100010167017_100000210757 [0,2,0,0,0,0|2,0,0]=4 14917 B14R1.216 CCCCCCSCc1nc[nH]c1C 62a_100000210314_100000751220 [0,2,0,0,0,0|2,0,0]=4 14918 B14R1.216 CCCCCCSCc1nc[nH]c1C 62a_100000751220_100000210757 [0,2,0,0,0,0|2,0,0]=4 14919 B14R1.216 CCCCCCSCc1nccn1C 62a_100000210314_100000700302 [0,2,0,0,0,0|2,0,0]=4 14920 B14R1.216 CCCCCCSCc1nccn1C 62a_100000700302_100000210757 [0,2,0,0,0,0|2,0,0]=4 14921 B14R1.216 CCCCCCSCc1ncoc1C 62a_100000210314_200000693990 [0,2,0,0,0,0|2,0,0]=4 14922 B14R1.216 CCCCCCSCc1ncoc1C 62a_200000693990_100000210757 [0,2,0,0,0,0|2,0,0]=4 14923 B14R1.216 CCCCCNCCc1cccn1C 2230a_100011251756_100000210326 [0,2,0,0,0,0|1,0,0]=3 14924 B14R1.216 CCCCCNCCc1cccn1C 34a_100011251756_100000718602 [0,2,0,0,0,0|1,0,0]=3 14925 B14R1.216 CCCCCNCCc1scnc1C 2230a_100000209983_100000057103 [0,2,0,0,0,0|1,1,0]=4 14926 B14R1.216 CCCCCNCCc1scnc1C 2230a_100000238517_100000210326 [0,2,0,0,0,0|1,1,0]=4 14927 B14R1.216 CCCCCNCCc1scnc1C 34a_100000238517_100000718602 [0,2,0,0,0,0|1,1,0]=4 14928 B14R1.216 CCCCCNCCn1nccc1C 2230a_100000209983_100011934269 [0,2,0,0,0,0|2,0,0]=4 14929 B14R1.216 CCCCCNN=Cc1occc1Br 4a_100000694160_100000756499 [0,2,0,0,0,0|1,0,1]=4 14930 B14R1.216 CCCCCNN=Cc1occc1C 4a_100000694160_100000763527 [0,2,0,0,0,0|1,0,1]=4 14931 B14R1.216 CCCCCOCCc1scnc1C 34a_100000210253_100000057103 [0,2,0,0,0,0|1,1,0]=4 14932 B14R1.216 CCCCCOCCc1scnc1C 34a_100000211055_100000718602 [0,2,0,0,0,0|1,1,0]=4 14933 B14R1.216 CCCCCOCCc1scnc1C 7a_100000210253_100000057103 [0,2,0,0,0,0|1,1,0]=4 14934 B14R1.216 CCCCCOCCc1scnc1C 7a_100000211055_100000210326 [0,2,0,0,0,0|1,1,0]=4 14935 B14R1.216 CCCCCOCCn1nccc1C 7a_100000210253_100011934269 [0,2,0,0,0,0|2,0,0]=4 14936 B14R1.216 CCCCCOCCn1nccc1N 34a_100000701086_100000718602 [0,2,0,0,0,0|2,0,0]=4 14937 B14R1.216 CCCCCSCCc1scnc1C 62a_100000057103_100000210326 [0,2,0,0,0,0|1,1,0]=4 14938 B14R1.216 CCCCCSCCc1scnc1C 62a_100000210326_100000057103 [0,2,0,0,0,0|1,1,0]=4 14939 B14R1.216 CCCCCSCCn1nccc1C 62a_100000210326_100011934269 [0,2,0,0,0,0|2,0,0]=4 14940 B14R1.216 CCCCCSCCn1nccc1C 62a_100011934269_100000210326 [0,2,0,0,0,0|2,0,0]=4 14941 B14R1.216 CCCCOCCSc1sccc1Br 62a_100000743108_100012361411 [0,2,0,0,0,0|1,1,0]=4 14942 B14R1.216 CCCCOCCSc1sccc1Br 62a_100012361411_100000743108 [0,2,0,0,0,0|1,1,0]=4 14943 B14R1.216 CCCCOCCSc1sccc1C 62a_100000743108_100010247149 [0,2,0,0,0,0|1,1,0]=4 14944 B14R1.216 CCCCOCCSc1sccc1C 62a_100010247149_100000743108 [0,2,0,0,0,0|1,1,0]=4 14945 B14R1.216 CCCCOCNCc1cccn1C 34a_100011219357_100011995733 [0,2,0,0,0,0|2,0,0]=4 14946 B14R1.216 CCCCOCNCc1sccc1C 2230a_100000238519_100011995733 [0,2,0,0,0,0|1,1,0]=4 14947 B14R1.216 CCCCOCNCc1sccc1C 34a_100000238519_100011995733 [0,2,0,0,0,0|1,1,0]=4 14948 B14R1.216 CCCCOCNCc1sccc1Cl 2230a_100011934584_100011995733 [0,2,0,0,0,0|1,1,0]=4 14949 B14R1.216 CCCCOCNCc1sccc1Cl 34a_100011934584_100011995733 [0,2,0,0,0,0|1,1,0]=4 14950 B14R1.216 CCCCOCOCc1occc1C 34a_100011273948_100011995733 [0,2,0,0,0,0|1,0,0]=3 14951 B14R1.216 CCCCOCOCc1ocnc1C 34a_100000717716_100011995733 [0,2,0,0,0,0|2,0,0]=4 14952 B14R1.216 CCCCOCOCc1oncc1C 34a_200011065769_100011995733 [0,2,0,0,0,0|2,0,0]=4 14953 B14R1.216 CCCCOCOCc1sccc1Br 34a_100000702026_100011995733 [0,2,0,0,0,0|1,1,0]=4 14954 B14R1.216 CCCCOCOCc1sccc1C 34a_100000238368_100011995733 [0,2,0,0,0,0|1,1,0]=4 14955 B14R1.216 CCCCOCOCc1sccc1Cl 34a_100000722387_100011995733 [0,2,0,0,0,0|1,1,0]=4 14956 B14R1.216 CCCOCCNCc1cccn1C 270004a_100161115042_100000211633 [0,2,0,0,0,0|2,0,0]=4 14957 B14R1.216 CCCOCCNCc1cccn1C 34a_100011219357_100011215938 [0,2,0,0,0,0|2,0,0]=4 14958 B14R1.216 CCCOCCNCc1occc1Br 270004a_100161115042_100000756499 [0,2,0,0,0,0|1,0,0]=3 14959 B14R1.216 CCCOCCNCc1occc1C 207a_100161115042_100000763527 [0,2,0,0,0,0|1,0,0]=3 14960 B14R1.216 CCCOCCNCc1occc1C 270004a_100161115042_100000763527 [0,2,0,0,0,0|1,0,0]=3 14961 B14R1.216 CCCOCCNCc1sccc1Br 207a_100161115042_100000766043 [0,2,0,0,0,0|1,1,0]=4 14962 B14R1.216 CCCOCCNCc1sccc1Br 270004a_100161115042_100000766043 [0,2,0,0,0,0|1,1,0]=4 14963 B14R1.216 CCCOCCNCc1sccc1C 207a_100161115042_100000210881 [0,2,0,0,0,0|1,1,0]=4 14964 B14R1.216 CCCOCCNCc1sccc1C 2230a_100000238519_100011215938 [0,2,0,0,0,0|1,1,0]=4 14965 B14R1.216 CCCOCCNCc1sccc1C 270004a_100161115042_100000210881 [0,2,0,0,0,0|1,1,0]=4 14966 B14R1.216 CCCOCCNCc1sccc1C 34a_100000189083_100000210303 [0,2,0,0,0,0|1,1,0]=4 14967 B14R1.216 CCCOCCNCc1sccc1C 34a_100000238519_100011215938 [0,2,0,0,0,0|1,1,0]=4 14968 B14R1.216 CCCOCCNCc1sccc1Cl 207a_100161115042_100000722334 [0,2,0,0,0,0|1,1,0]=4 14969 B14R1.216 CCCOCCNCc1sccc1Cl 2230a_100011934584_100011215938 [0,2,0,0,0,0|1,1,0]=4 14970 B14R1.216 CCCOCCNCc1sccc1Cl 270004a_100161115042_100000722334 [0,2,0,0,0,0|1,1,0]=4 14971 B14R1.216 CCCOCCNCc1sccc1Cl 34a_100011934584_100011215938 [0,2,0,0,0,0|1,1,0]=4 14972 B14R1.216 CCCOCCOCc1occc1C 34a_100011273948_100011215938 [0,2,0,0,0,0|1,0,0]=3 14973 B14R1.216 CCCOCCOCc1occc1C 7a_100011273948_100011215938 [0,2,0,0,0,0|1,0,0]=3 14974 B14R1.216 CCCOCCOCc1ocnc1C 34a_100000717716_100011215938 [0,2,0,0,0,0|2,0,0]=4 14975 B14R1.216 CCCOCCOCc1ocnc1C 7a_100000717716_100011215938 [0,2,0,0,0,0|2,0,0]=4 14976 B14R1.216 CCCOCCOCc1oncc1C 34a_200011065769_100011215938 [0,2,0,0,0,0|2,0,0]=4 14977 B14R1.216 CCCOCCOCc1sccc1Br 34a_100000702026_100011215938 [0,2,0,0,0,0|1,1,0]=4 14978 B14R1.216 CCCOCCOCc1sccc1C 34a_100000238368_100011215938 [0,2,0,0,0,0|1,1,0]=4 14979 B14R1.216 CCCOCCOCc1sccc1C 7a_100000238368_100011215938 [0,2,0,0,0,0|1,1,0]=4 14980 B14R1.216 CCCOCCOCc1sccc1Cl 34a_100000722387_100011215938 [0,2,0,0,0,0|1,1,0]=4 14981 B14R1.216 CCCOCCOCc1sccc1Cl 7a_100000722387_100011215938 [0,2,0,0,0,0|1,1,0]=4 14982 B14R1.216 CCCSCCNCc1cccn1C 270004a_100020603323_100000211633 [0,2,0,0,0,0|2,0,0]=4 14983 B14R1.216 CCCSCCNCc1occc1Br 270004a_100020603323_100000756499 [0,2,0,0,0,0|1,0,0]=3 14984 B14R1.216 CCCSCCNCc1occc1C 207a_100020603323_100000763527 [0,2,0,0,0,0|1,0,0]=3 14985 B14R1.216 CCCSCCNCc1occc1C 270004a_100020603323_100000763527 [0,2,0,0,0,0|1,0,0]=3 14986 B14R1.216 CCCSCCNCc1sccc1Br 207a_100020603323_100000766043 [0,2,0,0,0,0|1,1,0]=4 14987 B14R1.216 CCCSCCNCc1sccc1Br 270004a_100020603323_100000766043 [0,2,0,0,0,0|1,1,0]=4 14988 B14R1.216 CCCSCCNCc1sccc1C 207a_100020603323_100000210881 [0,2,0,0,0,0|1,1,0]=4 14989 B14R1.216 CCCSCCNCc1sccc1C 270004a_100020603323_100000210881 [0,2,0,0,0,0|1,1,0]=4 14990 B14R1.216 CCCSCCNCc1sccc1Cl 207a_100020603323_100000722334 [0,2,0,0,0,0|1,1,0]=4 14991 B14R1.216 CCCSCCNCc1sccc1Cl 270004a_100020603323_100000722334 [0,2,0,0,0,0|1,1,0]=4 14992 B14R1.216 CCOCCCNCc1cccn1C 270004a_100000210961_100000211633 [0,2,0,0,0,0|2,0,0]=4 14993 B14R1.216 CCOCCCNCc1cccn1C 34a_100011219357_100012232248 [0,2,0,0,0,0|2,0,0]=4 14994 B14R1.216 CCOCCCNCc1occc1Br 270004a_100000210961_100000756499 [0,2,0,0,0,0|1,0,0]=3 14995 B14R1.216 CCOCCCNCc1occc1C 207a_100000210961_100000763527 [0,2,0,0,0,0|1,0,0]=3 14996 B14R1.216 CCOCCCNCc1occc1C 270004a_100000210961_100000763527 [0,2,0,0,0,0|1,0,0]=3 14997 B14R1.216 CCOCCCNCc1sccc1Br 207a_100000210961_100000766043 [0,2,0,0,0,0|1,1,0]=4 14998 B14R1.216 CCOCCCNCc1sccc1Br 270004a_100000210961_100000766043 [0,2,0,0,0,0|1,1,0]=4 14999 B14R1.216 CCOCCCNCc1sccc1C 207a_100000210961_100000210881 [0,2,0,0,0,0|1,1,0]=4 15000 B14R1.216 CCOCCCNCc1sccc1C 2230a_100000238519_100012232248 [0,2,0,0,0,0|1,1,0]=4 15001 B14R1.216 CCOCCCNCc1sccc1C 270004a_100000210961_100000210881 [0,2,0,0,0,0|1,1,0]=4 15002 B14R1.216 CCOCCCNCc1sccc1C 34a_100000238519_100012232248 [0,2,0,0,0,0|1,1,0]=4 15003 B14R1.216 CCOCCCNCc1sccc1Cl 207a_100000210961_100000722334 [0,2,0,0,0,0|1,1,0]=4 15004 B14R1.216 CCOCCCNCc1sccc1Cl 2230a_100011934584_100012232248 [0,2,0,0,0,0|1,1,0]=4 15005 B14R1.216 CCOCCCNCc1sccc1Cl 270004a_100000210961_100000722334 [0,2,0,0,0,0|1,1,0]=4 15006 B14R1.216 CCOCCCNCc1sccc1Cl 34a_100011934584_100012232248 [0,2,0,0,0,0|1,1,0]=4 15007 B14R1.216 CCOCCCOCc1occc1C 34a_100011273948_100012232248 [0,2,0,0,0,0|1,0,0]=3 15008 B14R1.216 CCOCCCOCc1occc1C 7a_100011273948_100012232248 [0,2,0,0,0,0|1,0,0]=3 15009 B14R1.216 CCOCCCOCc1ocnc1C 34a_100000717716_100012232248 [0,2,0,0,0,0|2,0,0]=4 15010 B14R1.216 CCOCCCOCc1ocnc1C 7a_100000717716_100012232248 [0,2,0,0,0,0|2,0,0]=4 15011 B14R1.216 CCOCCCOCc1oncc1C 34a_200011065769_100012232248 [0,2,0,0,0,0|2,0,0]=4 15012 B14R1.216 CCOCCCOCc1sccc1Br 34a_100000702026_100012232248 [0,2,0,0,0,0|1,1,0]=4 15013 B14R1.216 CCOCCCOCc1sccc1C 34a_100000238368_100012232248 [0,2,0,0,0,0|1,1,0]=4 15014 B14R1.216 CCOCCCOCc1sccc1C 7a_100000238368_100012232248 [0,2,0,0,0,0|1,1,0]=4 15015 B14R1.216 CCOCCCOCc1sccc1Cl 34a_100000722387_100012232248 [0,2,0,0,0,0|1,1,0]=4 15016 B14R1.216 CCOCCCOCc1sccc1Cl 7a_100000722387_100012232248 [0,2,0,0,0,0|1,1,0]=4 15017 B14R1.216 CCOCCNCCc1cccn1C 2230a_100011251756_100011215890 [0,2,0,0,0,0|2,0,0]=4 15018 B14R1.216 CCOCCNCCc1cccn1C 34a_100011251756_100000210147 [0,2,0,0,0,0|2,0,0]=4 15019 B14R1.216 CCSCCNCCc1cccn1C 2230a_100011251756_100000757381 [0,2,0,0,0,0|2,0,0]=4 15020 B14R1.216 CCSCCNCCc1cccn1C 34a_100011251756_100000757381 [0,2,0,0,0,0|2,0,0]=4 15021 B14R1.216 COCCCCNCc1cccn1C 34a_100011219357_100000755781 [0,2,0,0,0,0|2,0,0]=4 15022 B14R1.216 COCCCCNCc1sccc1C 2230a_100000238519_100000730899 [0,2,0,0,0,0|1,1,0]=4 15023 B14R1.216 COCCCCNCc1sccc1C 34a_100000238519_100000755781 [0,2,0,0,0,0|1,1,0]=4 15024 B14R1.216 COCCCCNCc1sccc1Cl 2230a_100011934584_100000730899 [0,2,0,0,0,0|1,1,0]=4 15025 B14R1.216 COCCCCNCc1sccc1Cl 34a_100011934584_100000755781 [0,2,0,0,0,0|1,1,0]=4 15026 B14R1.216 COCCCCOCc1occc1C 34a_100011273948_100000755781 [0,2,0,0,0,0|1,0,0]=3 15027 B14R1.216 COCCCCOCc1occc1C 7a_100011273948_100000730899 [0,2,0,0,0,0|1,0,0]=3 15028 B14R1.216 COCCCCOCc1ocnc1C 34a_100000717716_100000755781 [0,2,0,0,0,0|2,0,0]=4 15029 B14R1.216 COCCCCOCc1ocnc1C 7a_100000717716_100000730899 [0,2,0,0,0,0|2,0,0]=4 15030 B14R1.216 COCCCCOCc1oncc1C 34a_200011065769_100000755781 [0,2,0,0,0,0|2,0,0]=4 15031 B14R1.216 COCCCCOCc1sccc1Br 34a_100000702026_100000755781 [0,2,0,0,0,0|1,1,0]=4 15032 B14R1.216 COCCCCOCc1sccc1C 34a_100000238368_100000755781 [0,2,0,0,0,0|1,1,0]=4 15033 B14R1.216 COCCCCOCc1sccc1C 7a_100000238368_100000730899 [0,2,0,0,0,0|1,1,0]=4 15034 B14R1.216 COCCCCOCc1sccc1Cl 34a_100000722387_100000755781 [0,2,0,0,0,0|1,1,0]=4 15035 B14R1.216 COCCCCOCc1sccc1Cl 7a_100000722387_100000730899 [0,2,0,0,0,0|1,1,0]=4 15036 B14R1.216 COCCCNCCc1cccn1C 2230a_100011251756_100000740836 [0,2,0,0,0,0|2,0,0]=4 15037 B14R1.216 COCCCNCCc1cccn1C 34a_100011251756_100000740836 [0,2,0,0,0,0|2,0,0]=4 15038 B14R1.216 Cc1ccoc1CNCCCCC#N 270004a_100000751965_100000763527 [0,2,0,0,0,0|1,0,1]=4 15039 B14R1.216 Cc1ccoc1CNCCCCCO 207a_100000762737_100000763527 [0,2,0,0,0,0|1,0,0]=3 15040 B14R1.216 Cc1ccoc1CNCCCCCO 270004a_100000762737_100000763527 [0,2,0,0,0,0|1,0,0]=3 15041 B14R1.216 Cc1ccoc1CNCCOCCO 207a_100000211614_100000763527 [0,2,0,0,0,0|2,0,0]=4 15042 B14R1.216 Cc1ccoc1CNCCOCCO 270004a_100000211614_100000763527 [0,2,0,0,0,0|2,0,0]=4 15043 B14R1.216 Cc1ccoc1CNCCSCCO 207a_100011219999_100000763527 [0,2,0,0,0,0|2,0,0]=4 15044 B14R1.216 Cc1ccoc1CNCCSCCO 270004a_100011219999_100000763527 [0,2,0,0,0,0|2,0,0]=4 15045 B14R1.216 Cc1ccoc1COCCCCC#N 7a_100011273948_100000211819 [0,2,0,0,0,0|1,0,1]=4 15046 B14R1.216 Cc1ccoc1COCCCCC=O 7a_100011273948_100000139335 [0,2,0,0,0,0|1,0,1]=4 15047 B14R1.216 Cc1ccoc1COCCCCCF 34a_100011273948_100000729378 [0,2,0,0,0,0|1,0,0]=3 15048 B14R1.216 Cc1ccoc1COCCCCCF 7a_100011273948_100000729378 [0,2,0,0,0,0|1,0,0]=3 15049 B14R1.216 Cc1ccoc1COCCCCCO 34a_100011273948_100000746330 [0,2,0,0,0,0|1,0,0]=3 15050 B14R1.216 Cc1ccoc1COCCCCCO 7a_100011273948_100000746330 [0,2,0,0,0,0|1,0,0]=3 15051 B14R1.216 Cc1ccoc1COCCOCCO 34a_100011273948_100000692535 [0,2,0,0,0,0|2,0,0]=4 15052 B14R1.216 Cc1ccoc1COCCOCCO 7a_100011273948_100011215305 [0,2,0,0,0,0|2,0,0]=4 15053 B14R1.216 Cc1ccsc1CNCCCCCF 2230a_100000238519_100000729378 [0,2,0,0,0,0|1,1,0]=4 15054 B14R1.216 Cc1ccsc1CNCCCCCF 34a_100000238519_100000729378 [0,2,0,0,0,0|1,1,0]=4 15055 B14R1.216 Cc1ccsc1CNCCCCCO 207a_100000762737_100000210881 [0,2,0,0,0,0|1,1,0]=4 15056 B14R1.216 Cc1ccsc1CNCCCCCO 2230a_100000238519_100000746330 [0,2,0,0,0,0|1,1,0]=4 15057 B14R1.216 Cc1ccsc1CNCCCCCO 270004a_100000762737_100000210881 [0,2,0,0,0,0|1,1,0]=4 15058 B14R1.216 Cc1ccsc1CNCCCCCO 34a_100000238519_100000746330 [0,2,0,0,0,0|1,1,0]=4 15059 B14R1.216 Cc1ccsc1COCCCCCF 34a_100000238368_100000729378 [0,2,0,0,0,0|1,1,0]=4 15060 B14R1.216 Cc1ccsc1COCCCCCF 7a_100000238368_100000729378 [0,2,0,0,0,0|1,1,0]=4 15061 B14R1.216 Cc1ccsc1COCCCCCO 34a_100000238368_100000746330 [0,2,0,0,0,0|1,1,0]=4 15062 B14R1.216 Cc1ccsc1COCCCCCO 7a_100000238368_100000746330 [0,2,0,0,0,0|1,1,0]=4 15063 B14R1.216 Cc1ccsc1SCCCCCCF 62a_100010247149_100015922095 [0,2,0,0,0,0|1,1,0]=4 15064 B14R1.216 Cc1ccsc1SCCCCCCF 62a_100015922095_100010247149 [0,2,0,0,0,0|1,1,0]=4 15065 B14R1.216 Cc1ccsc1SCCCCCCO 62a_100000766143_100010247149 [0,2,0,0,0,0|1,1,0]=4 15066 B14R1.216 Cc1ccsc1SCCCCCCO 62a_100010247149_100000766143 [0,2,0,0,0,0|1,1,0]=4 15067 B14R1.216 Cc1cnoc1COCCCCCF 34a_200011065769_100000729378 [0,2,0,0,0,0|2,0,0]=4 15068 B14R1.216 Cc1cnoc1COCCCCCO 34a_200011065769_100000746330 [0,2,0,0,0,0|2,0,0]=4 15069 B14R1.216 Cc1ncoc1COCCCCCF 34a_100000717716_100000729378 [0,2,0,0,0,0|2,0,0]=4 15070 B14R1.216 Cc1ncoc1COCCCCCF 7a_100000717716_100000729378 [0,2,0,0,0,0|2,0,0]=4 15071 B14R1.216 Cc1ncoc1COCCCCCO 34a_100000717716_100000746330 [0,2,0,0,0,0|2,0,0]=4 15072 B14R1.216 Cc1ncoc1COCCCCCO 7a_100000717716_100000746330 [0,2,0,0,0,0|2,0,0]=4 15073 B14R1.216 Cn1cccc1CCNCCCCF 2230a_100011251756_100000729493 [0,2,0,0,0,0|2,0,0]=4 15074 B14R1.216 Cn1cccc1CCNCCCCF 34a_100011251756_100000729493 [0,2,0,0,0,0|2,0,0]=4 15075 B14R1.216 Cn1cccc1CCNCCCCO 2230a_100011251756_100000210776 [0,2,0,0,0,0|2,0,0]=4 15076 B14R1.216 Cn1cccc1CCNCCCCO 34a_100011251756_100011216708 [0,2,0,0,0,0|2,0,0]=4 15077 B14R1.216 Cn1cccc1CNCCCCCF 34a_100011219357_100000729378 [0,2,0,0,0,0|2,0,0]=4 15078 B14R1.216 Cn1cccc1CNCCCCCO 270004a_100000762737_100000211633 [0,2,0,0,0,0|2,0,0]=4 15079 B14R1.216 Cn1cccc1CNCCCCCO 34a_100011219357_100000746330 [0,2,0,0,0,0|2,0,0]=4 15080 B14R1.216 FCCCCCCSc1sccc1Br 62a_100012361411_100015922095 [0,2,0,0,0,0|1,1,0]=4 15081 B14R1.216 FCCCCCCSc1sccc1Br 62a_100015922095_100012361411 [0,2,0,0,0,0|1,1,0]=4 15082 B14R1.216 FCCCCCNCc1sccc1Cl 2230a_100011934584_100000729378 [0,2,0,0,0,0|1,1,0]=4 15083 B14R1.216 FCCCCCNCc1sccc1Cl 34a_100011934584_100000729378 [0,2,0,0,0,0|1,1,0]=4 15084 B14R1.216 FCCCCCOCc1sccc1Br 34a_100000702026_100000729378 [0,2,0,0,0,0|1,1,0]=4 15085 B14R1.216 FCCCCCOCc1sccc1Cl 34a_100000722387_100000729378 [0,2,0,0,0,0|1,1,0]=4 15086 B14R1.216 FCCCCCOCc1sccc1Cl 7a_100000722387_100000729378 [0,2,0,0,0,0|1,1,0]=4 15087 B14R1.216 N#CCCCCNCc1occc1Br 270004a_100000751965_100000756499 [0,2,0,0,0,0|1,0,1]=4 15088 B14R1.216 OCCCCCCSc1sccc1Br 62a_100000766143_100012361411 [0,2,0,0,0,0|1,1,0]=4 15089 B14R1.216 OCCCCCCSc1sccc1Br 62a_100012361411_100000766143 [0,2,0,0,0,0|1,1,0]=4 15090 B14R1.216 OCCCCCNCc1occc1Br 270004a_100000762737_100000756499 [0,2,0,0,0,0|1,0,0]=3 15091 B14R1.216 OCCCCCNCc1sccc1Br 207a_100000762737_100000766043 [0,2,0,0,0,0|1,1,0]=4 15092 B14R1.216 OCCCCCNCc1sccc1Br 270004a_100000762737_100000766043 [0,2,0,0,0,0|1,1,0]=4 15093 B14R1.216 OCCCCCNCc1sccc1Cl 207a_100000762737_100000722334 [0,2,0,0,0,0|1,1,0]=4 15094 B14R1.216 OCCCCCNCc1sccc1Cl 2230a_100011934584_100000746330 [0,2,0,0,0,0|1,1,0]=4 15095 B14R1.216 OCCCCCNCc1sccc1Cl 270004a_100000762737_100000722334 [0,2,0,0,0,0|1,1,0]=4 15096 B14R1.216 OCCCCCNCc1sccc1Cl 34a_100011934584_100000746330 [0,2,0,0,0,0|1,1,0]=4 15097 B14R1.216 OCCCCCOCc1sccc1Br 34a_100000702026_100000746330 [0,2,0,0,0,0|1,1,0]=4 15098 B14R1.216 OCCCCCOCc1sccc1Cl 34a_100000722387_100000746330 [0,2,0,0,0,0|1,1,0]=4 15099 B14R1.216 OCCCCCOCc1sccc1Cl 7a_100000722387_100000746330 [0,2,0,0,0,0|1,1,0]=4 15100 B14R1.216 OCCOCCNCc1occc1Br 270004a_100000211614_100000756499 [0,2,0,0,0,0|2,0,0]=4 15101 B14R1.216 OCCSCCNCc1occc1Br 270004a_100011219999_100000756499 [0,2,0,0,0,0|2,0,0]=4 15102 B14R1.427 C=C(C)CCOCCCc1cccs1 34a_100000764851_100010992444 [0,2,0,0,0,0|0,1,1]=4 15103 B14R1.427 C=C(C)CCOCCCc1cccs1 34a_100011713143_100000730704 [0,2,0,0,0,0|0,1,1]=4 15104 B14R1.427 C=C(C)CCOCCCc1cccs1 7a_100011713143_100000730704 [0,2,0,0,0,0|0,1,1]=4 15105 B14R1.427 C=C(C)CCSCCCc1cccs1 62a_100000730704_100010992444 [0,2,0,0,0,0|0,1,1]=4 15106 B14R1.427 C=C(C)CCSCCCc1cccs1 62a_100010992444_100000730704 [0,2,0,0,0,0|0,1,1]=4 15107 B14R1.427 C=C(C)CNCCSCc1ccco1 2230a_100000184675_100000748629 [0,2,0,0,0,0|1,0,1]=4 15108 B14R1.427 C=C(C)CNCCSCc1ccco1 7a_100000184675_100000748629 [0,2,0,0,0,0|1,0,1]=4 15109 B14R1.427 CC(=CCCNCCc1ccco1)C 2230a_100000694680_100011217483 [0,2,0,0,0,0|0,0,2]=4 15110 B14R1.427 CC(=CCCNCCc1ccco1)C 34a_100000694680_100011217483 [0,2,0,0,0,0|0,0,2]=4 15111 B14R1.427 CC(=O)CCCCNCc1ccco1 34a_100000185738_100009817362 [0,2,0,0,0,0|0,0,1]=3 15112 B14R1.427 CC(=O)CCCCOCc1ccco1 34a_100000210059_100009817362 [0,2,0,0,0,0|0,0,1]=3 15113 B14R1.427 CC(=O)CCCCOCc1cccs1 34a_100000211240_100009817362 [0,2,0,0,0,0|0,1,1]=4 15114 B14R1.427 CC(=O)CCCCOCc1ccno1 34a_100000740478_100009817362 [0,2,0,0,0,0|1,0,1]=4 15115 B14R1.427 CC(=O)CCCCOCc1ncco1 34a_100000062594_100009817362 [0,2,0,0,0,0|1,0,1]=4 15116 B14R1.427 CC(=O)CCCCSCc1ncco1 62a_100000735457_103436540062 [0,2,0,0,0,0|1,0,1]=4 15117 B14R1.427 CC(=O)CCCCSCc1ncco1 62a_103436540062_100000735457 [0,2,0,0,0,0|1,0,1]=4 15118 B14R1.427 CC(=O)CCCNCCc1ccco1 34a_100000694680_100000685027 [0,2,0,0,0,0|0,0,1]=3 15119 B14R1.427 CC(=O)CCCNCCc1cccs1 34a_100000203755_100000685027 [0,2,0,0,0,0|0,1,1]=4 15120 B14R1.427 CC(=O)CCCOCCc1cccs1 34a_100000759063_100000748579 [0,2,0,0,0,0|0,1,1]=4 15121 B14R1.427 CC(=O)CCCOCCc1cccs1 34a_100011216825_100000685027 [0,2,0,0,0,0|0,1,1]=4 15122 B14R1.427 CC(=O)CCCOCCc1cccs1 7a_100000759063_100000748579 [0,2,0,0,0,0|0,1,1]=4 15123 B14R1.427 CC(=O)CCCOCCc1cccs1 7a_100011216825_100011215641 [0,2,0,0,0,0|0,1,1]=4 15124 B14R1.427 CC(=O)CCCSCCc1cccs1 62a_100000748579_100011215641 [0,2,0,0,0,0|0,1,1]=4 15125 B14R1.427 CC(=O)CCCSCCc1cccs1 62a_100011215641_100000748579 [0,2,0,0,0,0|0,1,1]=4 15126 B14R1.427 CC(=O)CCOCCCc1cccs1 34a_100000759926_100010992444 [0,2,0,0,0,0|0,1,1]=4 15127 B14R1.427 CC(=O)CCOCCCc1cccs1 7a_100000759926_100010992444 [0,2,0,0,0,0|0,1,1]=4 15128 B14R1.427 CC(=O)CCOCCCc1cccs1 7a_100011713143_100000053229 [0,2,0,0,0,0|0,1,1]=4 15129 B14R1.427 CC(=O)CCSCCCc1cccs1 62a_100000053229_100010992444 [0,2,0,0,0,0|0,1,1]=4 15130 B14R1.427 CC(=O)CCSCCCc1cccs1 62a_100010992444_100000053229 [0,2,0,0,0,0|0,1,1]=4 15131 B14R1.427 CC(=O)NCCCNCc1ccco1 207a_100000736810_100000186105 [0,2,0,0,0,0|1,0,1]=4 15132 B14R1.427 CC(=O)NCCCNCc1ccco1 270004a_100000736810_100000186105 [0,2,0,0,0,0|1,0,1]=4 15133 B14R1.427 CC(=O)NCCNCCc1ccco1 2230a_100000694680_100000189650 [0,2,0,0,0,0|1,0,1]=4 15134 B14R1.427 CC(=O)OCCCCSc1ccco1 62a_100000033659_100009814098 [0,2,0,0,0,0|1,0,1]=4 15135 B14R1.427 CC(=O)OCCCCSc1ccco1 62a_100009814098_100000033659 [0,2,0,0,0,0|1,0,1]=4 15136 B14R1.427 CC(=O)OCCCNCc1ccco1 34a_100000185738_100000042594 [0,2,0,0,0,0|1,0,1]=4 15137 B14R1.427 CC(=O)OCCCOCc1ccco1 34a_100000210059_100000042594 [0,2,0,0,0,0|1,0,1]=4 15138 B14R1.427 CC(=O)OCCNCCc1ccco1 34a_100000694680_100009814007 [0,2,0,0,0,0|1,0,1]=4 15139 B14R1.427 CC(=O)SCCCCSc1ccco1 62a_100009814098_200010402107 [0,2,0,0,0,0|1,0,1]=4 15140 B14R1.427 CC(=O)SCCCCSc1ccco1 62a_200010402107_100009814098 [0,2,0,0,0,0|1,0,1]=4 15141 B14R1.427 CC(=O)SCCCNCc1ccco1 2230a_100000185738_100000038929 [0,2,0,0,0,0|1,0,1]=4 15142 B14R1.427 CC(=O)SCCCNCc1ccco1 34a_100000185738_100000038929 [0,2,0,0,0,0|1,0,1]=4 15143 B14R1.427 CC(=O)SCCCOCc1ccco1 34a_100000210059_100000038929 [0,2,0,0,0,0|1,0,1]=4 15144 B14R1.427 CC(=S)OCCCNCc1ccco1 2230a_100000185738_200135323944 [0,2,0,0,0,0|1,0,1]=4 15145 B14R1.427 CC(=S)OCCCNCc1ccco1 34a_100000185738_200135323944 [0,2,0,0,0,0|1,0,1]=4 15146 B14R1.427 CC(=S)OCCCOCc1ccco1 34a_100000210059_200135323944 [0,2,0,0,0,0|1,0,1]=4 15147 B14R1.427 CC(Br)CCOCCCc1cccs1 34a_100009893172_100010992444 [0,2,0,0,0,0|0,1,0]=3 15148 B14R1.427 CC(Br)CCOCCCn1cccc1 34a_100009893172_200009814367 [0,2,0,0,0,0|2,0,0]=4 15149 B14R1.427 CC(C)CCCCCOc1ccsc1 34a_100000106738_100000210682 [0,2,0,0,0,0|2,0,0]=4 15150 B14R1.427 CC(C)CCCCCOc1ccsc1 7a_100000106738_100000210682 [0,2,0,0,0,0|2,0,0]=4 15151 B14R1.427 CC(C)CCCCCSc1c[nH]cn1 62a_100000210682_100000756875 [0,2,0,0,0,0|2,0,0]=4 15152 B14R1.427 CC(C)CCCCCSc1c[nH]cn1 62a_100000756875_100000210682 [0,2,0,0,0,0|2,0,0]=4 15153 B14R1.427 CC(C)CCCCCSc1cc[nH]n1 62a_100000062575_100000210682 [0,2,0,0,0,0|2,0,0]=4 15154 B14R1.427 CC(C)CCCCCSc1cc[nH]n1 62a_100000210682_100000062575 [0,2,0,0,0,0|2,0,0]=4 15155 B14R1.427 CC(C)CCCCCSc1ccco1 62a_100000210682_100009814098 [0,2,0,0,0,0|0,0,0]=2 15156 B14R1.427 CC(C)CCCCCSc1ccco1 62a_100009814098_100000210682 [0,2,0,0,0,0|0,0,0]=2 15157 B14R1.427 CC(C)CCCCCSc1cccs1 62a_100000210682_100011215356 [0,2,0,0,0,0|0,1,0]=3 15158 B14R1.427 CC(C)CCCCCSc1cccs1 62a_100011215356_100000210682 [0,2,0,0,0,0|0,1,0]=3 15159 B14R1.427 CC(C)CCCCCSc1ccoc1 62a_100000210682_100011215275 [0,2,0,0,0,0|2,0,0]=4 15160 B14R1.427 CC(C)CCCCCSc1ccoc1 62a_100011215275_100000210682 [0,2,0,0,0,0|2,0,0]=4 15161 B14R1.427 CC(C)CCCCCSc1ccon1 62a_100000210682_100009818083 [0,2,0,0,0,0|2,0,0]=4 15162 B14R1.427 CC(C)CCCCCSc1ccon1 62a_100009818083_100000210682 [0,2,0,0,0,0|2,0,0]=4 15163 B14R1.427 CC(C)CCCCCSc1ccsc1 62a_100000210682_100000738268 [0,2,0,0,0,0|2,0,0]=4 15164 B14R1.427 CC(C)CCCCCSc1ccsc1 62a_100000738268_100000210682 [0,2,0,0,0,0|2,0,0]=4 15165 B14R1.427 CC(C)CCCCCSc1ccsn1 62a_100000210682_100009818082 [0,2,0,0,0,0|2,0,0]=4 15166 B14R1.427 CC(C)CCCCCSc1ccsn1 62a_100009818082_100000210682 [0,2,0,0,0,0|2,0,0]=4 15167 B14R1.427 CC(C)CCCCCSc1cnco1 62a_100000210682_100020591547 [0,2,0,0,0,0|1,0,0]=3 15168 B14R1.427 CC(C)CCCCCSc1cnco1 62a_100020591547_100000210682 [0,2,0,0,0,0|1,0,0]=3 15169 B14R1.427 CC(C)CCCCCSc1cncs1 62a_100000210682_100011934649 [0,2,0,0,0,0|1,1,0]=4 15170 B14R1.427 CC(C)CCCCCSc1cncs1 62a_100011934649_100000210682 [0,2,0,0,0,0|1,1,0]=4 15171 B14R1.427 CC(C)CCCCCSc1cscn1 62a_100000210682_100000751502 [0,2,0,0,0,0|2,0,0]=4 15172 B14R1.427 CC(C)CCCCCSc1cscn1 62a_100000751502_100000210682 [0,2,0,0,0,0|2,0,0]=4 15173 B14R1.427 CC(C)CCCCCSc1ncc[nH]1 62a_100000210682_100025796157 [0,2,0,0,0,0|2,0,0]=4 15174 B14R1.427 CC(C)CCCCCSc1ncc[nH]1 62a_100025796157_100000210682 [0,2,0,0,0,0|2,0,0]=4 15175 B14R1.427 CC(C)CCCCCSc1ncco1 62a_100000210682_100011787736 [0,2,0,0,0,0|1,0,0]=3 15176 B14R1.427 CC(C)CCCCCSc1ncco1 62a_100011787736_100000210682 [0,2,0,0,0,0|1,0,0]=3 15177 B14R1.427 CC(C)CCCCCSc1nccs1 62a_100000210682_100000211983 [0,2,0,0,0,0|1,1,0]=4 15178 B14R1.427 CC(C)CCCCCSc1nccs1 62a_100000211983_100000210682 [0,2,0,0,0,0|1,1,0]=4 15179 B14R1.427 CC(C)CCCCNCc1ccco1 2230a_100000185738_100011216152 [0,2,0,0,0,0|0,0,0]=2 15180 B14R1.427 CC(C)CCCCNCc1ccco1 34a_100000185738_100011216152 [0,2,0,0,0,0|0,0,0]=2 15181 B14R1.427 CC(C)CCCCNCc1cccs1 2230a_100000211653_100011216152 [0,2,0,0,0,0|0,1,0]=3 15182 B14R1.427 CC(C)CCCCNCc1ccoc1 2230a_100015206860_100011216152 [0,2,0,0,0,0|2,0,0]=4 15183 B14R1.427 CC(C)CCCCNCc1ccoc1 34a_100015206860_100011216152 [0,2,0,0,0,0|2,0,0]=4 15184 B14R1.427 CC(C)CCCCNCc1ccsc1 2230a_100000186416_100011216152 [0,2,0,0,0,0|2,0,0]=4 15185 B14R1.427 CC(C)CCCCNCc1ccsc1 34a_100000186416_100011216152 [0,2,0,0,0,0|2,0,0]=4 15186 B14R1.427 CC(C)CCCCNCc1cncs1 2230a_100016987365_100011216152 [0,2,0,0,0,0|1,1,0]=4 15187 B14R1.427 CC(C)CCCCNCc1cscn1 2230a_100015185402_100011216152 [0,2,0,0,0,0|2,0,0]=4 15188 B14R1.427 CC(C)CCCCNCc1ncco1 2230a_100016994969_100011216152 [0,2,0,0,0,0|1,0,0]=3 15189 B14R1.427 CC(C)CCCCNCc1nccs1 2230a_100000740555_100011216152 [0,2,0,0,0,0|1,1,0]=4 15190 B14R1.427 CC(C)CCCCOCc1c[nH]cn1 34a_100011214890_100000707719 [0,2,0,0,0,0|2,0,0]=4 15191 B14R1.427 CC(C)CCCCOCc1ccco1 34a_100000210059_100011216152 [0,2,0,0,0,0|0,0,0]=2 15192 B14R1.427 CC(C)CCCCOCc1cccs1 34a_100000211240_100011216152 [0,2,0,0,0,0|0,1,0]=3 15193 B14R1.427 CC(C)CCCCOCc1ccn[nH]1 34a_100011214890_100000728653 [0,2,0,0,0,0|2,0,0]=4 15194 B14R1.427 CC(C)CCCCOCc1ccn[nH]1 7a_100011214890_100000728653 [0,2,0,0,0,0|2,0,0]=4 15195 B14R1.427 CC(C)CCCCOCc1ccno1 34a_100000740478_100011216152 [0,2,0,0,0,0|1,0,0]=3 15196 B14R1.427 CC(C)CCCCOCc1ccoc1 34a_100011215357_100011216152 [0,2,0,0,0,0|2,0,0]=4 15197 B14R1.427 CC(C)CCCCOCc1ccon1 34a_100011214890_100000234950 [0,2,0,0,0,0|2,0,0]=4 15198 B14R1.427 CC(C)CCCCOCc1ccon1 7a_100011214890_100000234950 [0,2,0,0,0,0|2,0,0]=4 15199 B14R1.427 CC(C)CCCCOCc1ccsc1 34a_100011214890_100011261437 [0,2,0,0,0,0|2,0,0]=4 15200 B14R1.427 CC(C)CCCCOCc1ccsc1 34a_100011215551_100011216152 [0,2,0,0,0,0|2,0,0]=4 15201 B14R1.427 CC(C)CCCCOCc1ccsc1 7a_100011214890_100011261437 [0,2,0,0,0,0|2,0,0]=4 15202 B14R1.427 CC(C)CCCCOCc1cncs1 34a_100011214890_100015185245 [0,2,0,0,0,0|1,1,0]=4 15203 B14R1.427 CC(C)CCCCOCc1cncs1 7a_100011214890_100015185245 [0,2,0,0,0,0|1,1,0]=4 15204 B14R1.427 CC(C)CCCCOCc1cscn1 34a_100011214890_100000205941 [0,2,0,0,0,0|2,0,0]=4 15205 B14R1.427 CC(C)CCCCOCc1cscn1 7a_100011214890_100000205941 [0,2,0,0,0,0|2,0,0]=4 15206 B14R1.427 CC(C)CCCCOCc1ncc[nH]1 34a_100011214890_100016991755 [0,2,0,0,0,0|2,0,0]=4 15207 B14R1.427 CC(C)CCCCOCc1ncc[nH]1 7a_100011214890_100000753453 [0,2,0,0,0,0|2,0,0]=4 15208 B14R1.427 CC(C)CCCCOCc1ncco1 34a_100000062594_100011216152 [0,2,0,0,0,0|1,0,0]=3 15209 B14R1.427 CC(C)CCCCOCc1ncco1 34a_100011214890_103436540062 [0,2,0,0,0,0|1,0,0]=3 15210 B14R1.427 CC(C)CCCCOCc1ncco1 7a_100011214890_103436540062 [0,2,0,0,0,0|1,0,0]=3 15211 B14R1.427 CC(C)CCCCOCc1nccs1 34a_100011214890_100015184050 [0,2,0,0,0,0|1,1,0]=4 15212 B14R1.427 CC(C)CCCCOCc1nccs1 7a_100011214890_100015184050 [0,2,0,0,0,0|1,1,0]=4 15213 B14R1.427 CC(C)CCCCOCn1cccn1 34a_100000731028_100011216152 [0,2,0,0,0,0|2,0,0]=4 15214 B14R1.427 CC(C)CCCCSCc1c[nH]cn1 62a_100000707719_100011216152 [0,2,0,0,0,0|2,0,0]=4 15215 B14R1.427 CC(C)CCCCSCc1c[nH]cn1 62a_100011216152_100000707719 [0,2,0,0,0,0|2,0,0]=4 15216 B14R1.427 CC(C)CCCCSCc1ccn[nH]1 62a_100000728653_100011216152 [0,2,0,0,0,0|2,0,0]=4 15217 B14R1.427 CC(C)CCCCSCc1ccn[nH]1 62a_100011216152_100000728653 [0,2,0,0,0,0|2,0,0]=4 15218 B14R1.427 CC(C)CCCCSCc1ccon1 62a_100000234950_100011216152 [0,2,0,0,0,0|2,0,0]=4 15219 B14R1.427 CC(C)CCCCSCc1ccon1 62a_100011216152_100000234950 [0,2,0,0,0,0|2,0,0]=4 15220 B14R1.427 CC(C)CCCCSCc1ccsc1 62a_100011216152_100011233845 [0,2,0,0,0,0|2,0,0]=4 15221 B14R1.427 CC(C)CCCCSCc1ccsc1 62a_100011261437_100011216152 [0,2,0,0,0,0|2,0,0]=4 15222 B14R1.427 CC(C)CCCCSCc1cncs1 62a_100011216152_100015185245 [0,2,0,0,0,0|1,1,0]=4 15223 B14R1.427 CC(C)CCCCSCc1cncs1 62a_100015185245_100011216152 [0,2,0,0,0,0|1,1,0]=4 15224 B14R1.427 CC(C)CCCCSCc1cscn1 62a_100000205941_100011216152 [0,2,0,0,0,0|2,0,0]=4 15225 B14R1.427 CC(C)CCCCSCc1cscn1 62a_100011216152_100000205941 [0,2,0,0,0,0|2,0,0]=4 15226 B14R1.427 CC(C)CCCCSCc1ncc[nH]1 62a_100011216152_100016991755 [0,2,0,0,0,0|2,0,0]=4 15227 B14R1.427 CC(C)CCCCSCc1ncc[nH]1 62a_100016991755_100011216152 [0,2,0,0,0,0|2,0,0]=4 15228 B14R1.427 CC(C)CCCCSCc1ncco1 62a_100011216152_103436540062 [0,2,0,0,0,0|1,0,0]=3 15229 B14R1.427 CC(C)CCCCSCc1ncco1 62a_103436540062_100011216152 [0,2,0,0,0,0|1,0,0]=3 15230 B14R1.427 CC(C)CCCCSCc1nccs1 62a_100011216152_100015184050 [0,2,0,0,0,0|1,1,0]=4 15231 B14R1.427 CC(C)CCCCSCc1nccs1 62a_100015184050_100011216152 [0,2,0,0,0,0|1,1,0]=4 15232 B14R1.427 CC(C)CCCNCCc1c[nH]cn1 2230a_200000737386_100020628418 [0,2,0,0,0,0|2,0,0]=4 15233 B14R1.427 CC(C)CCCNCCc1ccco1 2230a_100000694680_100011214892 [0,2,0,0,0,0|0,0,0]=2 15234 B14R1.427 CC(C)CCCNCCc1ccco1 34a_100000694680_100011214892 [0,2,0,0,0,0|0,0,0]=2 15235 B14R1.427 CC(C)CCCNCCc1cccs1 2230a_100000203755_100011214892 [0,2,0,0,0,0|0,1,0]=3 15236 B14R1.427 CC(C)CCCNCCc1cccs1 2230a_200000737386_100000748579 [0,2,0,0,0,0|0,1,0]=3 15237 B14R1.427 CC(C)CCCNCCc1cccs1 34a_100000203755_100011214892 [0,2,0,0,0,0|0,1,0]=3 15238 B14R1.427 CC(C)CCCNCCc1cccs1 34a_200000737386_100000748579 [0,2,0,0,0,0|0,1,0]=3 15239 B14R1.427 CC(C)CCCNCCc1ccsc1 2230a_100000692642_100011214892 [0,2,0,0,0,0|2,0,0]=4 15240 B14R1.427 CC(C)CCCNCCc1ccsc1 34a_100000692642_100011214892 [0,2,0,0,0,0|2,0,0]=4 15241 B14R1.427 CC(C)CCCNCCc1cncs1 2230a_100016991637_100011214892 [0,2,0,0,0,0|1,1,0]=4 15242 B14R1.427 CC(C)CCCNCCc1nccs1 2230a_100015186391_100011214892 [0,2,0,0,0,0|1,1,0]=4 15243 B14R1.427 CC(C)CCCNCCn1cccc1 2230a_200000737386_200009811947 [0,2,0,0,0,0|2,0,0]=4 15244 B14R1.427 CC(C)CCCNCCn1cccc1 34a_100011368172_100011214892 [0,2,0,0,0,0|2,0,0]=4 15245 B14R1.427 CC(C)CCCNCCn1cccn1 2230a_100011200920_100011214892 [0,2,0,0,0,0|2,0,0]=4 15246 B14R1.427 CC(C)CCCNCCn1cccn1 2230a_200000737386_100000685285 [0,2,0,0,0,0|2,0,0]=4 15247 B14R1.427 CC(C)CCCNCCn1cccn1 34a_200000737386_100015204718 [0,2,0,0,0,0|2,0,0]=4 15248 B14R1.427 CC(C)CCCOCCc1c[nH]cn1 7a_100000210774_100020628418 [0,2,0,0,0,0|2,0,0]=4 15249 B14R1.427 CC(C)CCCOCCc1cccs1 34a_100000210774_100000748579 [0,2,0,0,0,0|0,1,0]=3 15250 B14R1.427 CC(C)CCCOCCc1cccs1 34a_100011216825_100011214892 [0,2,0,0,0,0|0,1,0]=3 15251 B14R1.427 CC(C)CCCOCCc1cccs1 7a_100000210774_100000748579 [0,2,0,0,0,0|0,1,0]=3 15252 B14R1.427 CC(C)CCCOCCc1cccs1 7a_100011216825_100011214892 [0,2,0,0,0,0|0,1,0]=3 15253 B14R1.427 CC(C)CCCOCCc1ccsc1 34a_100000748821_100011214892 [0,2,0,0,0,0|2,0,0]=4 15254 B14R1.427 CC(C)CCCOCCc1ncc[nH]1 34a_103549771195_100011214892 [0,2,0,0,0,0|2,0,0]=4 15255 B14R1.427 CC(C)CCCOCCn1cccc1 34a_100000179382_100011214892 [0,2,0,0,0,0|2,0,0]=4 15256 B14R1.427 CC(C)CCCOCCn1cccc1 7a_100000210774_200000035178 [0,2,0,0,0,0|2,0,0]=4 15257 B14R1.427 CC(C)CCCOCCn1cccn1 34a_100000210774_100015204718 [0,2,0,0,0,0|2,0,0]=4 15258 B14R1.427 CC(C)CCCOCCn1cccn1 34a_100000743371_100011214892 [0,2,0,0,0,0|2,0,0]=4 15259 B14R1.427 CC(C)CCCOCCn1cccn1 7a_100000210774_100000685285 [0,2,0,0,0,0|2,0,0]=4 15260 B14R1.427 CC(C)CCCSCCc1c[nH]cn1 62a_100011214892_100020628418 [0,2,0,0,0,0|2,0,0]=4 15261 B14R1.427 CC(C)CCCSCCc1c[nH]cn1 62a_100020628418_100011214892 [0,2,0,0,0,0|2,0,0]=4 15262 B14R1.427 CC(C)CCCSCCc1cccs1 62a_100000748579_100011214892 [0,2,0,0,0,0|0,1,0]=3 15263 B14R1.427 CC(C)CCCSCCc1cccs1 62a_100011214892_100000748579 [0,2,0,0,0,0|0,1,0]=3 15264 B14R1.427 CC(C)CCCSCCn1cccc1 62a_100011214892_200000035178 [0,2,0,0,0,0|2,0,0]=4 15265 B14R1.427 CC(C)CCCSCCn1cccc1 62a_200009811947_100011214892 [0,2,0,0,0,0|2,0,0]=4 15266 B14R1.427 CC(C)CCCSCCn1cccn1 62a_100011214892_100000685285 [0,2,0,0,0,0|2,0,0]=4 15267 B14R1.427 CC(C)CCCSCCn1cccn1 62a_100015204718_100011214892 [0,2,0,0,0,0|2,0,0]=4 15268 B14R1.427 CC(C)CCNCC=Cc1ccco1 270004a_100000210545_100000185671 [0,2,0,0,0,0|0,0,2]=4 15269 B14R1.427 CC(C)CCNCCCn1cccn1 269862a_100000737576_100000185833 [0,2,0,0,0,0|2,0,0]=4 15270 B14R1.427 CC(C)CCOCCCc1cccs1 34a_100000210254_100010992444 [0,2,0,0,0,0|0,1,0]=3 15271 B14R1.427 CC(C)CCOCCCc1cccs1 34a_100011713143_100000210312 [0,2,0,0,0,0|0,1,0]=3 15272 B14R1.427 CC(C)CCOCCCc1cccs1 7a_100000210254_100010992444 [0,2,0,0,0,0|0,1,0]=3 15273 B14R1.427 CC(C)CCOCCCc1cccs1 7a_100011713143_100000210626 [0,2,0,0,0,0|0,1,0]=3 15274 B14R1.427 CC(C)CCOCCCc1ccsc1 34a_200000699776_100000210312 [0,2,0,0,0,0|2,0,0]=4 15275 B14R1.427 CC(C)CCOCCCc1ccsc1 7a_200000699776_100000210626 [0,2,0,0,0,0|2,0,0]=4 15276 B14R1.427 CC(C)CCOCCCn1cccc1 34a_100000179399_100000210312 [0,2,0,0,0,0|2,0,0]=4 15277 B14R1.427 CC(C)CCOCCCn1cccc1 34a_100000210254_200009814367 [0,2,0,0,0,0|2,0,0]=4 15278 B14R1.427 CC(C)CCOCCCn1cccc1 7a_100000179399_100000210626 [0,2,0,0,0,0|2,0,0]=4 15279 B14R1.427 CC(C)CCOCCCn1cccc1 7a_100000210254_200009814367 [0,2,0,0,0,0|2,0,0]=4 15280 B14R1.427 CC(C)CCOCCCn1cccn1 34a_100000753614_100000210312 [0,2,0,0,0,0|2,0,0]=4 15281 B14R1.427 CC(C)CCOCCCn1cccn1 7a_100000210254_100000739983 [0,2,0,0,0,0|2,0,0]=4 15282 B14R1.427 CC(C)CCSCCCc1cccs1 62a_100000210312_100010992444 [0,2,0,0,0,0|0,1,0]=3 15283 B14R1.427 CC(C)CCSCCCc1cccs1 62a_100010992444_100000210312 [0,2,0,0,0,0|0,1,0]=3 15284 B14R1.427 CC(C)CCSCCCn1cccc1 62a_100000210312_200009814367 [0,2,0,0,0,0|2,0,0]=4 15285 B14R1.427 CC(C)CCSCCCn1cccc1 62a_200009814367_100000210312 [0,2,0,0,0,0|2,0,0]=4 15286 B14R1.427 CC(C)CCSCCCn1cccn1 62a_100000210312_100000739983 [0,2,0,0,0,0|2,0,0]=4 15287 B14R1.427 CC(C)CCSCCCn1cccn1 62a_100000739983_100000210312 [0,2,0,0,0,0|2,0,0]=4 15288 B14R1.427 CC(C)CNCCOCc1ncco1 34a_100015185251_103436540062 [0,2,0,0,0,0|2,0,0]=4 15289 B14R1.427 CC(C)CNCCSCc1ccco1 2230a_100000184675_100000210760 [0,2,0,0,0,0|1,0,0]=3 15290 B14R1.427 CC(C)CNCCSCc1ccco1 270004a_100000184675_100000210432 [0,2,0,0,0,0|1,0,0]=3 15291 B14R1.427 CC(C)CNCCSCc1ccco1 7a_100000184675_100000210760 [0,2,0,0,0,0|1,0,0]=3 15292 B14R1.427 CC(C)COCCOCc1ncco1 34a_100000703358_103436540062 [0,2,0,0,0,0|2,0,0]=4 15293 B14R1.427 CC(C)COCCOCc1ncco1 7a_100000703358_103436540062 [0,2,0,0,0,0|2,0,0]=4 15294 B14R1.427 CC(C)CSCCOCc1ncco1 34a_200000230437_103436540062 [0,2,0,0,0,0|2,0,0]=4 15295 B14R1.427 CC(C)CSCCOCc1ncco1 7a_200000230437_103436540062 [0,2,0,0,0,0|2,0,0]=4 15296 B14R1.427 CC(C)NCCCOCc1ncco1 34a_100000182298_103436540062 [0,2,0,0,0,0|2,0,0]=4 15297 B14R1.427 CC(C)NCCOCCc1cccs1 34a_100000224655_100000748579 [0,2,0,0,0,0|1,1,0]=4 15298 B14R1.427 CC(C)OCCCNCc1ccco1 207a_100000737246_100000186105 [0,2,0,0,0,0|1,0,0]=3 15299 B14R1.427 CC(C)OCCCNCc1ccco1 270004a_100000737246_100000186105 [0,2,0,0,0,0|1,0,0]=3 15300 B14R1.427 CC(C)OCCCNCc1cccs1 207a_100000737246_100000209959 [0,2,0,0,0,0|1,1,0]=4 15301 B14R1.427 CC(C)OCCCNCc1cccs1 270004a_100000737246_100000209959 [0,2,0,0,0,0|1,1,0]=4 15302 B14R1.427 CC(C)OCCCNCc1cccs1 34a_100015187169_100000210206 [0,2,0,0,0,0|1,1,0]=4 15303 B14R1.427 CC(C)OCCCNCc1cnco1 270004a_100000737246_100000064291 [0,2,0,0,0,0|2,0,0]=4 15304 B14R1.427 CC(C)OCCCNCc1ncco1 2230a_100000737246_103436540062 [0,2,0,0,0,0|2,0,0]=4 15305 B14R1.427 CC(C)OCCCNCc1ncco1 270004a_100000737246_100000064290 [0,2,0,0,0,0|2,0,0]=4 15306 B14R1.427 CC(C)OCCCNCc1ncco1 34a_100000737246_103436540062 [0,2,0,0,0,0|2,0,0]=4 15307 B14R1.427 CC(C)OCCNCCc1ccco1 2230a_100000694680_100000211751 [0,2,0,0,0,0|1,0,0]=3 15308 B14R1.427 CC(C)OCCNCCc1ccco1 34a_100000694680_100000211751 [0,2,0,0,0,0|1,0,0]=3 15309 B14R1.427 CC(C)OCCNCCc1cccs1 2230a_100000203755_100000211751 [0,2,0,0,0,0|1,1,0]=4 15310 B14R1.427 CC(C)OCCNCCc1cccs1 2230a_100000701111_100000748579 [0,2,0,0,0,0|1,1,0]=4 15311 B14R1.427 CC(C)OCCNCCc1cccs1 34a_100000203755_100000211751 [0,2,0,0,0,0|1,1,0]=4 15312 B14R1.427 CC(C)OCCNCCc1cccs1 34a_100000701111_100000748579 [0,2,0,0,0,0|1,1,0]=4 15313 B14R1.427 CC(C)OCCOCCc1cccs1 34a_100000211219_100000748579 [0,2,0,0,0,0|1,1,0]=4 15314 B14R1.427 CC(C)OCCOCCc1cccs1 34a_100011216825_100000211751 [0,2,0,0,0,0|1,1,0]=4 15315 B14R1.427 CC(C)OCCOCCc1cccs1 7a_100000211219_100000748579 [0,2,0,0,0,0|1,1,0]=4 15316 B14R1.427 CC(C)OCCOCCc1cccs1 7a_100011216825_100000211751 [0,2,0,0,0,0|1,1,0]=4 15317 B14R1.427 CC(C)OCCSCCc1cccs1 62a_100000211751_100000748579 [0,2,0,0,0,0|1,1,0]=4 15318 B14R1.427 CC(C)OCCSCCc1cccs1 62a_100000748579_100000211751 [0,2,0,0,0,0|1,1,0]=4 15319 B14R1.427 CC(C)OCOCCCc1cccs1 34a_100011713143_100000709892 [0,2,0,0,0,0|1,1,0]=4 15320 B14R1.427 CC(C)OCSCCCc1cccs1 62a_100000709892_100010992444 [0,2,0,0,0,0|1,1,0]=4 15321 B14R1.427 CC(C)OCSCCCc1cccs1 62a_100010992444_100000709892 [0,2,0,0,0,0|1,1,0]=4 15322 B14R1.427 CC(C)SCCNCCc1ccco1 2230a_100000694680_100000730970 [0,2,0,0,0,0|1,0,0]=3 15323 B14R1.427 CC(C)SCCNCCc1ccco1 34a_100000694680_100000730970 [0,2,0,0,0,0|1,0,0]=3 15324 B14R1.427 CC(C)SCCNCCc1cccs1 2230a_100000203755_100000730970 [0,2,0,0,0,0|1,1,0]=4 15325 B14R1.427 CC(C)SCCNCCc1cccs1 2230a_100000731138_100000748579 [0,2,0,0,0,0|1,1,0]=4 15326 B14R1.427 CC(C)SCCNCCc1cccs1 34a_100000203755_100000730970 [0,2,0,0,0,0|1,1,0]=4 15327 B14R1.427 CC(C)SCCNCCc1cccs1 34a_100000731138_100000748579 [0,2,0,0,0,0|1,1,0]=4 15328 B14R1.427 CC(C)SCCOCCc1cccs1 34a_100011216825_100000730970 [0,2,0,0,0,0|1,1,0]=4 15329 B14R1.427 CC(C)SCCOCCc1cccs1 34a_200011212901_100000748579 [0,2,0,0,0,0|1,1,0]=4 15330 B14R1.427 CC(C)SCCOCCc1cccs1 7a_100011216825_100000730970 [0,2,0,0,0,0|1,1,0]=4 15331 B14R1.427 CC(C)SCCOCCc1cccs1 7a_200011212901_100000748579 [0,2,0,0,0,0|1,1,0]=4 15332 B14R1.427 CC(C)SCCSCCc1cccs1 62a_100000730970_100000748579 [0,2,0,0,0,0|1,1,0]=4 15333 B14R1.427 CC(C)SCCSCCc1cccs1 62a_100000748579_100000730970 [0,2,0,0,0,0|1,1,0]=4 15334 B14R1.427 CC(O)CCCNCCc1ccco1 2230a_100000694680_200000718107 [0,2,0,0,0,0|0,0,0]=2 15335 B14R1.427 CC(O)CCCNCCc1ccco1 34a_100000694680_200000718107 [0,2,0,0,0,0|0,0,0]=2 15336 B14R1.427 CC(O)CCCNCCc1cccs1 2230a_100000203755_200000718107 [0,2,0,0,0,0|0,1,0]=3 15337 B14R1.427 CC(O)CCCNCCc1cccs1 34a_100000203755_200000718107 [0,2,0,0,0,0|0,1,0]=3 15338 B14R1.427 CC(O)CCCNCCc1ccsc1 2230a_100000692642_200000718107 [0,2,0,0,0,0|2,0,0]=4 15339 B14R1.427 CC(O)CCCNCCc1ccsc1 34a_100000692642_200000718107 [0,2,0,0,0,0|2,0,0]=4 15340 B14R1.427 CC(O)CCCNCCc1cncs1 2230a_100016991637_200000718107 [0,2,0,0,0,0|1,1,0]=4 15341 B14R1.427 CC(O)CCCNCCc1nccs1 2230a_100015186391_200000718107 [0,2,0,0,0,0|1,1,0]=4 15342 B14R1.427 CC(O)CCCNCCn1cccc1 34a_100011368172_200000718107 [0,2,0,0,0,0|2,0,0]=4 15343 B14R1.427 CC(O)CCCNCCn1cccn1 2230a_100011200920_200000718107 [0,2,0,0,0,0|2,0,0]=4 15344 B14R1.427 CC(O)CCCOCCc1cccs1 34a_100011216825_200000718107 [0,2,0,0,0,0|0,1,0]=3 15345 B14R1.427 CC(O)CCCOCCc1cccs1 7a_100011216825_200000718107 [0,2,0,0,0,0|0,1,0]=3 15346 B14R1.427 CC(O)CCCOCCc1ccsc1 34a_100000748821_200000718107 [0,2,0,0,0,0|2,0,0]=4 15347 B14R1.427 CC(O)CCCOCCc1ncc[nH]1 34a_103549771195_200000718107 [0,2,0,0,0,0|2,0,0]=4 15348 B14R1.427 CC(O)CCCOCCn1cccc1 34a_100000179382_200000718107 [0,2,0,0,0,0|2,0,0]=4 15349 B14R1.427 CC(O)CCCOCCn1cccn1 34a_100000743371_200000718107 [0,2,0,0,0,0|2,0,0]=4 15350 B14R1.427 CC(O)CCCSCCc1c[nH]cn1 62a_100020628418_200000718107 [0,2,0,0,0,0|2,0,0]=4 15351 B14R1.427 CC(O)CCCSCCc1c[nH]cn1 62a_200000718107_100020628418 [0,2,0,0,0,0|2,0,0]=4 15352 B14R1.427 CC(O)CCCSCCc1cccs1 62a_100000748579_200000718107 [0,2,0,0,0,0|0,1,0]=3 15353 B14R1.427 CC(O)CCCSCCc1cccs1 62a_200000718107_100000748579 [0,2,0,0,0,0|0,1,0]=3 15354 B14R1.427 CC(O)CCCSCCn1cccc1 62a_200000718107_200000035178 [0,2,0,0,0,0|2,0,0]=4 15355 B14R1.427 CC(O)CCCSCCn1cccc1 62a_200009811947_200000718107 [0,2,0,0,0,0|2,0,0]=4 15356 B14R1.427 CC(O)CCCSCCn1cccn1 62a_100015204718_200000718107 [0,2,0,0,0,0|2,0,0]=4 15357 B14R1.427 CC(O)CCCSCCn1cccn1 62a_200000718107_100000685285 [0,2,0,0,0,0|2,0,0]=4 15358 B14R1.427 CC(O)CCNCC=Cc1ccco1 270004a_200000755665_100000185671 [0,2,0,0,0,0|0,0,2]=4 15359 B14R1.427 CC(O)CCNCCCc1cccs1 2230a_200000755665_100010992444 [0,2,0,0,0,0|0,1,0]=3 15360 B14R1.427 CC(O)CCNCCCn1cccc1 2230a_200000755665_200009814367 [0,2,0,0,0,0|2,0,0]=4 15361 B14R1.427 CC(O)CCNCCCn1cccn1 2230a_200000755665_100000739983 [0,2,0,0,0,0|2,0,0]=4 15362 B14R1.427 CC(O)CCOCCCc1cccs1 34a_100011713143_100012276601 [0,2,0,0,0,0|0,1,0]=3 15363 B14R1.427 CC(O)CCOCCCc1cccs1 7a_100011713143_100012276601 [0,2,0,0,0,0|0,1,0]=3 15364 B14R1.427 CC(O)CCOCCCc1ccsc1 34a_200000699776_100012276601 [0,2,0,0,0,0|2,0,0]=4 15365 B14R1.427 CC(O)CCOCCCc1ccsc1 7a_200000699776_100012276601 [0,2,0,0,0,0|2,0,0]=4 15366 B14R1.427 CC(O)CCOCCCn1cccc1 34a_100000179399_100012276601 [0,2,0,0,0,0|2,0,0]=4 15367 B14R1.427 CC(O)CCOCCCn1cccc1 7a_100000179399_100012276601 [0,2,0,0,0,0|2,0,0]=4 15368 B14R1.427 CC(O)CCOCCCn1cccn1 34a_100000753614_100012276601 [0,2,0,0,0,0|2,0,0]=4 15369 B14R1.427 CC(O)CCSCCCc1cccs1 62a_100010992444_100012276601 [0,2,0,0,0,0|0,1,0]=3 15370 B14R1.427 CC(O)CCSCCCc1cccs1 62a_100012276601_100010992444 [0,2,0,0,0,0|0,1,0]=3 15371 B14R1.427 CC(O)CCSCCCn1cccc1 62a_100012276601_200009814367 [0,2,0,0,0,0|2,0,0]=4 15372 B14R1.427 CC(O)CCSCCCn1cccc1 62a_200009814367_100012276601 [0,2,0,0,0,0|2,0,0]=4 15373 B14R1.427 CC(O)CCSCCCn1cccn1 62a_100000739983_100012276601 [0,2,0,0,0,0|2,0,0]=4 15374 B14R1.427 CC(O)CCSCCCn1cccn1 62a_100012276601_100000739983 [0,2,0,0,0,0|2,0,0]=4 15375 B14R1.427 CC(O)CNCCSCc1ccco1 2230a_100000184675_100011218427 [0,2,0,0,0,0|1,0,0]=3 15376 B14R1.427 CC(O)CNCCSCc1ccco1 7a_100000184675_100011218427 [0,2,0,0,0,0|1,0,0]=3 15377 B14R1.427 CN(C)CCCCNCc1ccco1 207a_100025707445_100000186105 [0,2,0,0,0,0|1,0,0]=3 15378 B14R1.427 CN(C)CCCCNCc1cccs1 207a_100025707445_100000209959 [0,2,0,0,0,0|1,1,0]=4 15379 B14R1.427 CN(C)CCCCSCc1ncco1 62a_103436540062_100000690147 [0,2,0,0,0,0|2,0,0]=4 15380 B14R1.427 CN(C)CCCOCCc1cccs1 7a_100011216825_100000757444 [0,2,0,0,0,0|1,1,0]=4 15381 B14R1.427 CN(C)CCCSCCc1cccs1 62a_100000748579_100000757444 [0,2,0,0,0,0|1,1,0]=4 15382 B14R1.427 CN(C)CCOCCCc1cccs1 7a_100011713143_100000755713 [0,2,0,0,0,0|1,1,0]=4 15383 B14R1.427 CN(C)CCSCCCc1cccs1 62a_100010992444_100000755713 [0,2,0,0,0,0|1,1,0]=4 15384 B14R1.427 CS(=O)CCCNCCc1cccs1 2230a_200000753449_100000748579 [0,2,0,0,0,0|1,1,0]=4 15385 B14R1.427 C[C@@H](N)CCOCCCc1cccs1 34a_100000706166_100010992444 [0,2,0,0,0,0|0,1,0]=3 15386 B14R1.427 C[C@@H](N)CCOCCCn1cccc1 34a_100000706166_200009814367 [0,2,0,0,0,0|2,0,0]=4 15387 B14R1.427 C[C@@H](O)CNCCSCc1ccco1 2230a_100000184675_100009817552 [0,2,0,0,0,0|1,0,0]=3 15388 B14R1.427 C[C@@H](O)CNCCSCc1ccco1 7a_100000184675_100009817552 [0,2,0,0,0,0|1,0,0]=3 15389 B14R1.427 FC(F)CCOCCCc1cccs1 34a_100103093639_100010992444 [0,2,0,0,0,0|1,1,0]=4 15390 B14R1.427 FC(F)CNCCSCc1ccco1 2230a_100000184675_100011934356 [0,2,0,0,0,0|2,0,0]=4 15391 B14R1.427 FC(F)CNCCSCc1ccco1 7a_100000184675_100011934356 [0,2,0,0,0,0|2,0,0]=4 15392 B14R1.427 FC(F)COCCNCc1ccco1 2230a_100000185738_200012177212 [0,2,0,0,0,0|2,0,0]=4 15393 B14R1.427 FC(F)COCCNCc1ccco1 34a_100000185738_200012177212 [0,2,0,0,0,0|2,0,0]=4 15394 B14R1.427 FC(F)COCCOCc1ccco1 34a_100000210059_200012177212 [0,2,0,0,0,0|2,0,0]=4 15395 B14R1.427 NC(=O)CCCCCSc1ccco1 62a_100009814098_100009817443 [0,2,0,0,0,0|1,0,1]=4 15396 B14R1.427 NC(=O)CCCCCSc1ccco1 62a_100009817443_100009814098 [0,2,0,0,0,0|1,0,1]=4 15397 B14R1.427 NC(=O)CCCCNCc1ccco1 207a_100000696515_100000186105 [0,2,0,0,0,0|1,0,1]=4 15398 B14R1.427 NC(=O)CCCCNCc1ccco1 270004a_100000696515_100000186105 [0,2,0,0,0,0|1,0,1]=4 15399 B14R1.427 NC(=O)CCCNCCc1ccco1 34a_100000694680_100102525003 [0,2,0,0,0,0|1,0,1]=4 15400 B14R1.427 OB(O)CCCCCSc1ccco1 62a_100009814098_200009817188 [0,2,0,0,0,0|2,0,0]=4 15401 B14R1.427 OB(O)CCCCCSc1ccco1 62a_200009817188_100009814098 [0,2,0,0,0,0|2,0,0]=4 15402 B14R1.427 OB(O)CCCCNCc1ccco1 2230a_100000185738_200009817182 [0,2,0,0,0,0|2,0,0]=4 15403 B14R1.427 OB(O)CCCCNCc1ccco1 34a_100000185738_200009817182 [0,2,0,0,0,0|2,0,0]=4 15404 B14R1.427 OB(O)CCCCOCc1ccco1 34a_100000210059_200009817182 [0,2,0,0,0,0|2,0,0]=4 15405 B14R1.609 CC(CCBr)OCCCc1cccs1 34a_100012276601_100010992444 [0,2,0,0,0,0|1,1,0]=4 15406 B14R1.609 CC(CCN)COCCc1cccs1 34a_106354213184_100000748579 [0,2,0,0,0,0|1,1,0]=4 15407 B14R1.609 CC(CCO)OCCCc1cccs1 34a_100011713143_100009893172 [0,2,0,0,0,0|1,1,0]=4 15408 B14R1.609 CC(CCO)OCCCc1cccs1 7a_100011713143_100009893172 [0,2,0,0,0,0|1,1,0]=4 15409 B14R1.609 CC(CCO)SCCCc1cccs1 62a_100009893172_100010992444 [0,2,0,0,0,0|1,1,0]=4 15410 B14R1.609 CC(CCO)SCCCc1cccs1 62a_100010992444_100009893172 [0,2,0,0,0,0|1,1,0]=4 15411 B14R1.609 CCCC(=O)CCCCc1cccs1 1458a_100011216592_100000210303 [0,2,0,0,0,0|0,1,0]=3 15412 B14R1.609 CCCC(=O)CNCCc1ccco1 2230a_100000694680_100000747444 [0,2,0,0,0,0|0,0,1]=3 15413 B14R1.609 CCCC(=O)CNCCc1cccs1 2230a_100000203755_100000747444 [0,2,0,0,0,0|0,1,1]=4 15414 B14R1.609 CCCC(=O)COCCc1cccs1 7a_100011216825_100000747444 [0,2,0,0,0,0|0,1,1]=4 15415 B14R1.609 CCCC(=O)CSCCc1cccs1 62a_100000747444_100000748579 [0,2,0,0,0,0|0,1,1]=4 15416 B14R1.609 CCCC(=O)CSCCc1cccs1 62a_100000748579_100000747444 [0,2,0,0,0,0|0,1,1]=4 15417 B14R1.609 CCCC(=O)OCNCc1ccco1 2230a_100000185738_100000034017 [0,2,0,0,0,0|1,0,1]=4 15418 B14R1.609 CCCC(=O)OCNCc1ccco1 34a_100000185738_100000034017 [0,2,0,0,0,0|1,0,1]=4 15419 B14R1.609 CCCC(=O)OCOCc1ccco1 34a_100000210059_100000034017 [0,2,0,0,0,0|1,0,1]=4 15420 B14R1.609 CCCC(C)CCOCc1c[nH]cn1 34a_100011217855_100000707719 [0,2,0,0,0,0|2,0,0]=4 15421 B14R1.609 CCCC(C)CCOCc1ccn[nH]1 34a_100011217855_100000728653 [0,2,0,0,0,0|2,0,0]=4 15422 B14R1.609 CCCC(C)CCOCc1ccn[nH]1 7a_100011217855_100000728653 [0,2,0,0,0,0|2,0,0]=4 15423 B14R1.609 CCCC(C)CCOCc1ccon1 34a_100011217855_100000234950 [0,2,0,0,0,0|2,0,0]=4 15424 B14R1.609 CCCC(C)CCOCc1ccon1 7a_100011217855_100000234950 [0,2,0,0,0,0|2,0,0]=4 15425 B14R1.609 CCCC(C)CCOCc1ccsc1 34a_100011217855_100011261437 [0,2,0,0,0,0|2,0,0]=4 15426 B14R1.609 CCCC(C)CCOCc1ccsc1 7a_100011217855_100011261437 [0,2,0,0,0,0|2,0,0]=4 15427 B14R1.609 CCCC(C)CCOCc1cncs1 34a_100011217855_100015185245 [0,2,0,0,0,0|1,1,0]=4 15428 B14R1.609 CCCC(C)CCOCc1cncs1 7a_100011217855_100015185245 [0,2,0,0,0,0|1,1,0]=4 15429 B14R1.609 CCCC(C)CCOCc1cscn1 34a_100011217855_100000205941 [0,2,0,0,0,0|2,0,0]=4 15430 B14R1.609 CCCC(C)CCOCc1cscn1 7a_100011217855_100000205941 [0,2,0,0,0,0|2,0,0]=4 15431 B14R1.609 CCCC(C)CCOCc1ncc[nH]1 34a_100011217855_100016991755 [0,2,0,0,0,0|2,0,0]=4 15432 B14R1.609 CCCC(C)CCOCc1ncc[nH]1 7a_100011217855_100000753453 [0,2,0,0,0,0|2,0,0]=4 15433 B14R1.609 CCCC(C)CCOCc1ncco1 34a_100011217855_103436540062 [0,2,0,0,0,0|1,0,0]=3 15434 B14R1.609 CCCC(C)CCOCc1ncco1 7a_100011217855_103436540062 [0,2,0,0,0,0|1,0,0]=3 15435 B14R1.609 CCCC(C)CCOCc1nccs1 34a_100011217855_100015184050 [0,2,0,0,0,0|1,1,0]=4 15436 B14R1.609 CCCC(C)CCOCc1nccs1 7a_100011217855_100015184050 [0,2,0,0,0,0|1,1,0]=4 15437 B14R1.609 CCCC(C)CNCCc1c[nH]cn1 270004a_100000755092_100000243154 [0,2,0,0,0,0|2,0,0]=4 15438 B14R1.609 CCCC(C)CNCCc1ccco1 2230a_100000694680_100011216630 [0,2,0,0,0,0|0,0,0]=2 15439 B14R1.609 CCCC(C)CNCCc1ccco1 270004a_100000694680_100000243154 [0,2,0,0,0,0|0,0,0]=2 15440 B14R1.609 CCCC(C)CNCCc1ccco1 34a_100000694680_100011216630 [0,2,0,0,0,0|0,0,0]=2 15441 B14R1.609 CCCC(C)CNCCc1cccs1 2230a_100000203755_100011216630 [0,2,0,0,0,0|0,1,0]=3 15442 B14R1.609 CCCC(C)CNCCc1cccs1 270004a_100000203755_100000243154 [0,2,0,0,0,0|0,1,0]=3 15443 B14R1.609 CCCC(C)CNCCc1cccs1 34a_100000203755_100011216630 [0,2,0,0,0,0|0,1,0]=3 15444 B14R1.609 CCCC(C)CNCCc1ccsc1 2230a_100000692642_100011216630 [0,2,0,0,0,0|2,0,0]=4 15445 B14R1.609 CCCC(C)CNCCc1ccsc1 270004a_100000692642_100000243154 [0,2,0,0,0,0|2,0,0]=4 15446 B14R1.609 CCCC(C)CNCCc1ccsc1 34a_100000692642_100011216630 [0,2,0,0,0,0|2,0,0]=4 15447 B14R1.609 CCCC(C)CNCCc1cncs1 2230a_100016991637_100011216630 [0,2,0,0,0,0|1,1,0]=4 15448 B14R1.609 CCCC(C)CNCCc1cncs1 270004a_100016991637_100000243154 [0,2,0,0,0,0|1,1,0]=4 15449 B14R1.609 CCCC(C)CNCCc1ncc[nH]1 270004a_100000754300_100000243154 [0,2,0,0,0,0|2,0,0]=4 15450 B14R1.609 CCCC(C)CNCCc1nccs1 2230a_100015186391_100011216630 [0,2,0,0,0,0|1,1,0]=4 15451 B14R1.609 CCCC(C)CNCCc1nccs1 270004a_100015186391_100000243154 [0,2,0,0,0,0|1,1,0]=4 15452 B14R1.609 CCCC(C)CNCCn1cccc1 270004a_100011368172_100000243154 [0,2,0,0,0,0|2,0,0]=4 15453 B14R1.609 CCCC(C)CNCCn1cccc1 34a_100011368172_100011216630 [0,2,0,0,0,0|2,0,0]=4 15454 B14R1.609 CCCC(C)CNCCn1cccn1 2230a_100011200920_100011216630 [0,2,0,0,0,0|2,0,0]=4 15455 B14R1.609 CCCC(C)CNCCn1cccn1 270004a_100011200920_100000243154 [0,2,0,0,0,0|2,0,0]=4 15456 B14R1.609 CCCC(C)COCCc1c[nH]cn1 7a_100000688023_100020628418 [0,2,0,0,0,0|2,0,0]=4 15457 B14R1.609 CCCC(C)COCCc1cccs1 34a_100000688023_100000748579 [0,2,0,0,0,0|0,1,0]=3 15458 B14R1.609 CCCC(C)COCCc1cccs1 34a_100011216825_100011216630 [0,2,0,0,0,0|0,1,0]=3 15459 B14R1.609 CCCC(C)COCCc1cccs1 7a_100000688023_100000748579 [0,2,0,0,0,0|0,1,0]=3 15460 B14R1.609 CCCC(C)COCCc1cccs1 7a_100011216825_100011216630 [0,2,0,0,0,0|0,1,0]=3 15461 B14R1.609 CCCC(C)COCCc1ccsc1 34a_100000748821_100011216630 [0,2,0,0,0,0|2,0,0]=4 15462 B14R1.609 CCCC(C)COCCc1ncc[nH]1 34a_103549771195_100011216630 [0,2,0,0,0,0|2,0,0]=4 15463 B14R1.609 CCCC(C)COCCn1cccc1 34a_100000179382_100011216630 [0,2,0,0,0,0|2,0,0]=4 15464 B14R1.609 CCCC(C)COCCn1cccc1 7a_100000688023_200000035178 [0,2,0,0,0,0|2,0,0]=4 15465 B14R1.609 CCCC(C)COCCn1cccn1 34a_100000688023_100015204718 [0,2,0,0,0,0|2,0,0]=4 15466 B14R1.609 CCCC(C)COCCn1cccn1 34a_100000743371_100011216630 [0,2,0,0,0,0|2,0,0]=4 15467 B14R1.609 CCCC(C)COCCn1cccn1 7a_100000688023_100000685285 [0,2,0,0,0,0|2,0,0]=4 15468 B14R1.609 CCCC(C)CSCCc1c[nH]cn1 62a_100011216630_100020628418 [0,2,0,0,0,0|2,0,0]=4 15469 B14R1.609 CCCC(C)CSCCc1c[nH]cn1 62a_100020628418_100011216630 [0,2,0,0,0,0|2,0,0]=4 15470 B14R1.609 CCCC(C)CSCCc1cccs1 62a_100000748579_100011216630 [0,2,0,0,0,0|0,1,0]=3 15471 B14R1.609 CCCC(C)CSCCc1cccs1 62a_100011216630_100000748579 [0,2,0,0,0,0|0,1,0]=3 15472 B14R1.609 CCCC(C)CSCCn1cccc1 62a_100011216630_200000035178 [0,2,0,0,0,0|2,0,0]=4 15473 B14R1.609 CCCC(C)CSCCn1cccc1 62a_200009811947_100011216630 [0,2,0,0,0,0|2,0,0]=4 15474 B14R1.609 CCCC(C)CSCCn1cccn1 62a_100011216630_100000685285 [0,2,0,0,0,0|2,0,0]=4 15475 B14R1.609 CCCC(C)CSCCn1cccn1 62a_100015204718_100011216630 [0,2,0,0,0,0|2,0,0]=4 15476 B14R1.609 CCCC(C)NCC=Cc1ccco1 270004a_100000741246_100000185671 [0,2,0,0,0,0|0,0,2]=4 15477 B14R1.609 CCCC(C)NCCCc1cccs1 2230a_100000741246_100010992444 [0,2,0,0,0,0|0,1,0]=3 15478 B14R1.609 CCCC(C)NCCCn1cccc1 2230a_100000741246_200009814367 [0,2,0,0,0,0|2,0,0]=4 15479 B14R1.609 CCCC(C)NCCCn1cccn1 2230a_100000741246_100000739983 [0,2,0,0,0,0|2,0,0]=4 15480 B14R1.609 CCCC(C)NCCCn1cccn1 270004a_100000737576_100000211909 [0,2,0,0,0,0|2,0,0]=4 15481 B14R1.609 CCCC(C)OCCCc1cccs1 34a_100000764384_100010992444 [0,2,0,0,0,0|0,1,0]=3 15482 B14R1.609 CCCC(C)OCCCc1cccs1 34a_100011713143_100000766640 [0,2,0,0,0,0|0,1,0]=3 15483 B14R1.609 CCCC(C)OCCCc1cccs1 7a_100000764384_100010992444 [0,2,0,0,0,0|0,1,0]=3 15484 B14R1.609 CCCC(C)OCCCc1cccs1 7a_100011713143_100000766640 [0,2,0,0,0,0|0,1,0]=3 15485 B14R1.609 CCCC(C)OCCCc1ccsc1 34a_200000699776_100000766640 [0,2,0,0,0,0|2,0,0]=4 15486 B14R1.609 CCCC(C)OCCCc1ccsc1 7a_200000699776_100000766640 [0,2,0,0,0,0|2,0,0]=4 15487 B14R1.609 CCCC(C)OCCCn1cccc1 34a_100000179399_100000766640 [0,2,0,0,0,0|2,0,0]=4 15488 B14R1.609 CCCC(C)OCCCn1cccc1 34a_100000764384_200009814367 [0,2,0,0,0,0|2,0,0]=4 15489 B14R1.609 CCCC(C)OCCCn1cccc1 7a_100000179399_100000766640 [0,2,0,0,0,0|2,0,0]=4 15490 B14R1.609 CCCC(C)OCCCn1cccc1 7a_100000764384_200009814367 [0,2,0,0,0,0|2,0,0]=4 15491 B14R1.609 CCCC(C)OCCCn1cccn1 34a_100000753614_100000766640 [0,2,0,0,0,0|2,0,0]=4 15492 B14R1.609 CCCC(C)OCCCn1cccn1 7a_100000764384_100000739983 [0,2,0,0,0,0|2,0,0]=4 15493 B14R1.609 CCCC(C)SCCCc1cccs1 62a_100000766640_100010992444 [0,2,0,0,0,0|0,1,0]=3 15494 B14R1.609 CCCC(C)SCCCc1cccs1 62a_100010992444_100000766640 [0,2,0,0,0,0|0,1,0]=3 15495 B14R1.609 CCCC(C)SCCCn1cccc1 62a_100000766640_200009814367 [0,2,0,0,0,0|2,0,0]=4 15496 B14R1.609 CCCC(C)SCCCn1cccc1 62a_200009814367_100000766640 [0,2,0,0,0,0|2,0,0]=4 15497 B14R1.609 CCCC(C)SCCCn1cccn1 62a_100000739983_100000766640 [0,2,0,0,0,0|2,0,0]=4 15498 B14R1.609 CCCC(C)SCCCn1cccn1 62a_100000766640_100000739983 [0,2,0,0,0,0|2,0,0]=4 15499 B14R1.609 CCC[C@H](N)CCOCc1c[nH]cn1 34a_100015193777_100000707719 [0,2,0,0,0,0|2,0,0]=4 15500 B14R1.609 CCC[C@H](N)CCOCc1ccn[nH]1 34a_100015193777_100000728653 [0,2,0,0,0,0|2,0,0]=4 15501 B14R1.609 CCC[C@H](N)CCOCc1ccon1 34a_100015193777_100000234950 [0,2,0,0,0,0|2,0,0]=4 15502 B14R1.609 CCC[C@H](N)CCOCc1ccsc1 34a_100015193777_100011261437 [0,2,0,0,0,0|2,0,0]=4 15503 B14R1.609 CCC[C@H](N)CCOCc1cncs1 34a_100015193777_100015185245 [0,2,0,0,0,0|1,1,0]=4 15504 B14R1.609 CCC[C@H](N)CCOCc1cscn1 34a_100015193777_100000205941 [0,2,0,0,0,0|2,0,0]=4 15505 B14R1.609 CCC[C@H](N)CCOCc1ncc[nH]1 34a_100015193777_100016991755 [0,2,0,0,0,0|2,0,0]=4 15506 B14R1.609 CCC[C@H](N)CCOCc1ncco1 34a_100015193777_103436540062 [0,2,0,0,0,0|1,0,0]=3 15507 B14R1.609 CCC[C@H](N)CCOCc1nccs1 34a_100015193777_100015184050 [0,2,0,0,0,0|1,1,0]=4 15508 B14R1.609 CCC[C@H](N)COCCc1cccs1 34a_100000732646_100000748579 [0,2,0,0,0,0|0,1,0]=3 15509 B14R1.609 CCC[C@H](N)COCCn1cccn1 34a_100000732646_100015204718 [0,2,0,0,0,0|2,0,0]=4 15510 B14R1.609 CCNC(=O)CCCCc1cccs1 11a_100015525214_100011216592 [0,2,0,0,0,0|0,1,1]=4 15511 B14R1.609 CCNC(=O)CCCCc1cccs1 240690a_100015525214_100011216592 [0,2,0,0,0,0|0,1,1]=4 15512 B14R1.609 CCNC(=O)CCCCc1cccs1 527a_100015525214_100011216592 [0,2,0,0,0,0|0,1,1]=4 15513 B14R1.609 CCNC(=O)CCNCc1ccco1 207a_100025743525_100000186105 [0,2,0,0,0,0|1,0,1]=4 15514 B14R1.609 CCNC(=O)CCNCc1ccco1 2230a_100000185738_100000737597 [0,2,0,0,0,0|1,0,1]=4 15515 B14R1.609 CCNC(=O)CCNCc1ccco1 270004a_100025743525_100000186105 [0,2,0,0,0,0|1,0,1]=4 15516 B14R1.609 CCNC(=O)CNCCc1ccco1 2230a_100000694680_100000183381 [0,2,0,0,0,0|1,0,1]=4 15517 B14R1.609 CCNC(=O)CNCCc1ccco1 34a_100000694680_100000183381 [0,2,0,0,0,0|1,0,1]=4 15518 B14R1.609 CCOC(=O)CCCSc1ccco1 62a_100009814098_100009991533 [0,2,0,0,0,0|1,0,1]=4 15519 B14R1.609 CCOC(=O)CCCSc1ccco1 62a_100009991533_100009814098 [0,2,0,0,0,0|1,0,1]=4 15520 B14R1.609 CCOC(=O)CCNCc1ccco1 2230a_100000185738_100011206558 [0,2,0,0,0,0|1,0,1]=4 15521 B14R1.609 CCOC(=O)CCNCc1ccco1 34a_100000185738_100000765890 [0,2,0,0,0,0|1,0,1]=4 15522 B14R1.609 CCOC(=O)CCOCc1ccco1 34a_100000210059_100000765890 [0,2,0,0,0,0|1,0,1]=4 15523 B14R1.609 CCOC(=O)CNCCc1ccco1 2230a_100000694680_100000188475 [0,2,0,0,0,0|1,0,1]=4 15524 B14R1.609 CCOC(=O)CNCCc1ccco1 34a_100000694680_100000188475 [0,2,0,0,0,0|1,0,1]=4 15525 B14R1.609 COCC(C)OCCCc1cccs1 34a_100011713143_100000765312 [0,2,0,0,0,0|1,1,0]=4 15526 B14R1.609 COCC(C)OCCCc1cccs1 7a_100011713143_100000765312 [0,2,0,0,0,0|1,1,0]=4 15527 B14R1.609 COCC(C)SCCCc1cccs1 62a_100000765312_100010992444 [0,2,0,0,0,0|1,1,0]=4 15528 B14R1.609 COCC(C)SCCCc1cccs1 62a_100010992444_100000765312 [0,2,0,0,0,0|1,1,0]=4 15529 B14R1.609 COCC(N)COCCc1cccs1 34a_100000724102_100000748579 [0,2,0,0,0,0|1,1,0]=4 15530 B14R1.609 COCC(O)CNCCc1ccco1 34a_100000694680_100011215053 [0,2,0,0,0,0|1,0,0]=3 15531 B14R1.609 COCC(O)CNCCc1cccs1 2230a_100000756049_100000748579 [0,2,0,0,0,0|1,1,0]=4 15532 B14R1.609 COCC(O)CNCCc1cccs1 34a_100000203755_100011215053 [0,2,0,0,0,0|1,1,0]=4 15533 B14R1.609 COCC(O)CNCCc1cccs1 34a_100000756049_100000748579 [0,2,0,0,0,0|1,1,0]=4 15534 B14R1.609 COCC(O)COCCc1cccs1 34a_100011216825_100011215053 [0,2,0,0,0,0|1,1,0]=4 15535 B14R1.609 COCC(O)COCCc1cccs1 7a_100011216825_100011215053 [0,2,0,0,0,0|1,1,0]=4 15536 B14R1.609 COCC(O)CSCCc1cccs1 62a_100000748579_100011215053 [0,2,0,0,0,0|1,1,0]=4 15537 B14R1.609 COCC(O)CSCCc1cccs1 62a_100011215053_100000748579 [0,2,0,0,0,0|1,1,0]=4 15538 B14R1.609 COC[C@@H](C)NCCCc1cccs1 2230a_100000764878_100010992444 [0,2,0,0,0,0|1,1,0]=4 15539 B14R1.609 COC[C@@H](C)OCCCc1cccs1 34a_100011934205_100010992444 [0,2,0,0,0,0|1,1,0]=4 15540 B14R1.609 C[C@H](CCO)NCCCc1cccs1 2230a_100000706166_100010992444 [0,2,0,0,0,0|1,1,0]=4 15541 B14R1.609 C[C@H](CCO)NCCCc1cccs1 34a_100000706166_100010992444 [0,2,0,0,0,0|1,1,0]=4 15542 B14R1.609 N#CC[C@H](O)CNCCc1ccco1 2230a_100000694680_100000001066 [0,2,0,0,0,0|1,0,1]=4 15543 B14R1.609 O=C(CCF)CCCCc1cccs1 1458a_100011216592_100011217306 [0,2,0,0,0,0|0,1,1]=4 15544 B14R1.609 O=C(CCO)CCCCc1cccs1 1458a_100011216592_100000211926 [0,2,0,0,0,0|0,1,1]=4 15545 B14R1.730 C=CC(C)COCCCc1cccs1 34a_100011215527_100010992444 [0,2,0,0,0,0|1,1,0]=4 15546 B14R1.730 C=CC(C)COCCCc1cccs1 7a_100011215527_100010992444 [0,2,0,0,0,0|1,1,0]=4 15547 B14R1.730 CC(C#N)NCCSCc1ccco1 2230a_100000184675_100000184139 [0,2,0,0,0,0|2,0,0]=4 15548 B14R1.730 CC(C#N)NCCSCc1ccco1 7a_100000184675_100000703298 [0,2,0,0,0,0|2,0,0]=4 15549 B14R1.730 CC(CN)COCCCc1cccs1 34a_100000744482_100010992444 [0,2,0,0,0,0|1,1,0]=4 15550 B14R1.730 CC(CO)CCNCCc1cccs1 2230a_106354213184_100000748579 [0,2,0,0,0,0|1,1,0]=4 15551 B14R1.730 CC(CO)CCNCCc1cccs1 34a_106354213184_100000748579 [0,2,0,0,0,0|1,1,0]=4 15552 B14R1.730 CC(CO)CNCCCc1cccs1 34a_100000744482_100010992444 [0,2,0,0,0,0|1,1,0]=4 15553 B14R1.730 CC(CO)NCCSCc1ccco1 2230a_100000184675_100012180447 [0,2,0,0,0,0|2,0,0]=4 15554 B14R1.730 CC(CO)NCCSCc1ccco1 7a_100000184675_100012180447 [0,2,0,0,0,0|2,0,0]=4 15555 B14R1.730 CCC(=O)COCCCc1cccs1 34a_100000725409_100010992444 [0,2,0,0,0,0|0,1,1]=4 15556 B14R1.730 CCC(=O)COCCCc1cccs1 7a_100011713143_100000747405 [0,2,0,0,0,0|0,1,1]=4 15557 B14R1.730 CCC(=O)CSCCCc1cccs1 62a_100000747405_100010992444 [0,2,0,0,0,0|0,1,1]=4 15558 B14R1.730 CCC(=O)CSCCCc1cccs1 62a_100010992444_100000747405 [0,2,0,0,0,0|0,1,1]=4 15559 B14R1.730 CCC(=O)NCCNCc1ccco1 207a_100132302217_100000186105 [0,2,0,0,0,0|1,0,1]=4 15560 B14R1.730 CCC(=O)NCCNCc1ccco1 270004a_100132302217_100000186105 [0,2,0,0,0,0|1,0,1]=4 15561 B14R1.730 CCC(=O)NCCSCc1ccco1 11a_100000184675_100000210414 [0,2,0,0,0,0|1,0,1]=4 15562 B14R1.730 CCC(=O)NCCSCc1ccco1 240690a_100000184675_100000210414 [0,2,0,0,0,0|1,0,1]=4 15563 B14R1.730 CCC(=O)NCCSCc1ccco1 527a_100000184675_100000210414 [0,2,0,0,0,0|1,0,1]=4 15564 B14R1.730 CCC(C)CCCOCc1ccn[nH]1 7a_100011216074_100000728653 [0,2,0,0,0,0|2,0,0]=4 15565 B14R1.730 CCC(C)CCCOCc1ccon1 7a_100011216074_100000234950 [0,2,0,0,0,0|2,0,0]=4 15566 B14R1.730 CCC(C)CCCOCc1ccsc1 7a_100011216074_100011261437 [0,2,0,0,0,0|2,0,0]=4 15567 B14R1.730 CCC(C)CCCOCc1cncs1 7a_100011216074_100015185245 [0,2,0,0,0,0|1,1,0]=4 15568 B14R1.730 CCC(C)CCCOCc1cscn1 7a_100011216074_100000205941 [0,2,0,0,0,0|2,0,0]=4 15569 B14R1.730 CCC(C)CCCOCc1ncc[nH]1 7a_100011216074_100000753453 [0,2,0,0,0,0|2,0,0]=4 15570 B14R1.730 CCC(C)CCCOCc1ncco1 7a_100011216074_103436540062 [0,2,0,0,0,0|1,0,0]=3 15571 B14R1.730 CCC(C)CCCOCc1nccs1 7a_100011216074_100015184050 [0,2,0,0,0,0|1,1,0]=4 15572 B14R1.730 CCC(C)CCNCCc1c[nH]cn1 2230a_100020591266_100020628418 [0,2,0,0,0,0|2,0,0]=4 15573 B14R1.730 CCC(C)CCNCCc1cccs1 2230a_100020591266_100000748579 [0,2,0,0,0,0|0,1,0]=3 15574 B14R1.730 CCC(C)CCNCCn1cccc1 2230a_100020591266_200009811947 [0,2,0,0,0,0|2,0,0]=4 15575 B14R1.730 CCC(C)CCNCCn1cccn1 2230a_100020591266_100000685285 [0,2,0,0,0,0|2,0,0]=4 15576 B14R1.730 CCC(C)CCOCCc1c[nH]cn1 7a_100011215188_100020628418 [0,2,0,0,0,0|2,0,0]=4 15577 B14R1.730 CCC(C)CCOCCc1cccs1 7a_100011215188_100000748579 [0,2,0,0,0,0|0,1,0]=3 15578 B14R1.730 CCC(C)CCOCCn1cccc1 7a_100011215188_200000035178 [0,2,0,0,0,0|2,0,0]=4 15579 B14R1.730 CCC(C)CCOCCn1cccn1 7a_100011215188_100000685285 [0,2,0,0,0,0|2,0,0]=4 15580 B14R1.730 CCC(C)CNCC=Cc1ccco1 270004a_100020588543_100000185671 [0,2,0,0,0,0|0,0,2]=4 15581 B14R1.730 CCC(C)CNCCCc1cccs1 2230a_100020588543_100010992444 [0,2,0,0,0,0|0,1,0]=3 15582 B14R1.730 CCC(C)CNCCCn1cccc1 2230a_100020588543_200009814367 [0,2,0,0,0,0|2,0,0]=4 15583 B14R1.730 CCC(C)CNCCCn1cccn1 2230a_100020588543_100000739983 [0,2,0,0,0,0|2,0,0]=4 15584 B14R1.730 CCC(C)CNCCCn1cccn1 270004a_100000737576_100000243153 [0,2,0,0,0,0|2,0,0]=4 15585 B14R1.730 CCC(C)COCCCc1cccs1 34a_100011713143_100000748023 [0,2,0,0,0,0|0,1,0]=3 15586 B14R1.730 CCC(C)COCCCc1cccs1 7a_100011713143_100000748023 [0,2,0,0,0,0|0,1,0]=3 15587 B14R1.730 CCC(C)COCCCc1ccsc1 34a_200000699776_100000748023 [0,2,0,0,0,0|2,0,0]=4 15588 B14R1.730 CCC(C)COCCCc1ccsc1 7a_200000699776_100000748023 [0,2,0,0,0,0|2,0,0]=4 15589 B14R1.730 CCC(C)COCCCn1cccc1 34a_100000179399_100000748023 [0,2,0,0,0,0|2,0,0]=4 15590 B14R1.730 CCC(C)COCCCn1cccc1 7a_100000179399_100000748023 [0,2,0,0,0,0|2,0,0]=4 15591 B14R1.730 CCC(C)COCCCn1cccn1 34a_100000753614_100000748023 [0,2,0,0,0,0|2,0,0]=4 15592 B14R1.730 CCC(C)CSCCCc1cccs1 62a_100000748023_100010992444 [0,2,0,0,0,0|0,1,0]=3 15593 B14R1.730 CCC(C)CSCCCc1cccs1 62a_100010992444_100000748023 [0,2,0,0,0,0|0,1,0]=3 15594 B14R1.730 CCC(C)CSCCCn1cccc1 62a_100000748023_200009814367 [0,2,0,0,0,0|2,0,0]=4 15595 B14R1.730 CCC(C)CSCCCn1cccc1 62a_200009814367_100000748023 [0,2,0,0,0,0|2,0,0]=4 15596 B14R1.730 CCC(C)CSCCCn1cccn1 62a_100000739983_100000748023 [0,2,0,0,0,0|2,0,0]=4 15597 B14R1.730 CCC(C)CSCCCn1cccn1 62a_100000748023_100000739983 [0,2,0,0,0,0|2,0,0]=4 15598 B14R1.730 CCC(C)NCCSCc1ccco1 2230a_100000184675_100000758301 [0,2,0,0,0,0|1,0,0]=3 15599 B14R1.730 CCC(C)NCCSCc1ccco1 7a_100000184675_100000758301 [0,2,0,0,0,0|1,0,0]=3 15600 B14R1.730 CCC(O)CNCC=Cc1ccco1 270004a_100011218483_100000185671 [0,2,0,0,0,0|0,0,2]=4 15601 B14R1.730 CCC(O)CNCCCc1cccs1 2230a_100011218483_100010992444 [0,2,0,0,0,0|0,1,0]=3 15602 B14R1.730 CCC(O)CNCCCn1cccc1 2230a_100011218483_200009814367 [0,2,0,0,0,0|2,0,0]=4 15603 B14R1.730 CCC(O)CNCCCn1cccn1 2230a_100011218483_100000739983 [0,2,0,0,0,0|2,0,0]=4 15604 B14R1.730 CCC(O)COCCCc1cccs1 34a_100011713143_100011218378 [0,2,0,0,0,0|0,1,0]=3 15605 B14R1.730 CCC(O)COCCCc1cccs1 7a_100011713143_100011218378 [0,2,0,0,0,0|0,1,0]=3 15606 B14R1.730 CCC(O)COCCCc1ccsc1 34a_200000699776_100011218378 [0,2,0,0,0,0|2,0,0]=4 15607 B14R1.730 CCC(O)COCCCc1ccsc1 7a_200000699776_100011218378 [0,2,0,0,0,0|2,0,0]=4 15608 B14R1.730 CCC(O)COCCCn1cccc1 34a_100000179399_100011218378 [0,2,0,0,0,0|2,0,0]=4 15609 B14R1.730 CCC(O)COCCCn1cccc1 7a_100000179399_100011218378 [0,2,0,0,0,0|2,0,0]=4 15610 B14R1.730 CCC(O)COCCCn1cccn1 34a_100000753614_100011218378 [0,2,0,0,0,0|2,0,0]=4 15611 B14R1.730 CCC(O)CSCCCc1cccs1 62a_100010992444_100011218378 [0,2,0,0,0,0|0,1,0]=3 15612 B14R1.730 CCC(O)CSCCCc1cccs1 62a_100011218378_100010992444 [0,2,0,0,0,0|0,1,0]=3 15613 B14R1.730 CCC(O)CSCCCn1cccc1 62a_100011218378_200009814367 [0,2,0,0,0,0|2,0,0]=4 15614 B14R1.730 CCC(O)CSCCCn1cccc1 62a_200009814367_100011218378 [0,2,0,0,0,0|2,0,0]=4 15615 B14R1.730 CCC(O)CSCCCn1cccn1 62a_100000739983_100011218378 [0,2,0,0,0,0|2,0,0]=4 15616 B14R1.730 CCC(O)CSCCCn1cccn1 62a_100011218378_100000739983 [0,2,0,0,0,0|2,0,0]=4 15617 B14R1.730 CCN(C)CCCNCc1ccco1 2230a_100000185738_100015186262 [0,2,0,0,0,0|1,0,0]=3 15618 B14R1.730 CCN(C)CCCNCc1cccs1 2230a_100000211653_100015186262 [0,2,0,0,0,0|1,1,0]=4 15619 B14R1.730 CCN(C)CCCNCc1ncco1 2230a_100016994969_100015186262 [0,2,0,0,0,0|2,0,0]=4 15620 B14R1.730 CCN(C)CCCSCc1ncco1 62a_103436540062_100015186262 [0,2,0,0,0,0|2,0,0]=4 15621 B14R1.730 CC[C@H](C)COCCCc1cccs1 34a_100011713143_100009816398 [0,2,0,0,0,0|0,1,0]=3 15622 B14R1.730 CC[C@H](C)COCCCc1cccs1 7a_100009816381_100010992444 [0,2,0,0,0,0|0,1,0]=3 15623 B14R1.730 CC[C@H](C)COCCCc1cccs1 7a_100011713143_100009816398 [0,2,0,0,0,0|0,1,0]=3 15624 B14R1.730 CC[C@H](C)COCCCc1ccsc1 34a_200000699776_100009816398 [0,2,0,0,0,0|2,0,0]=4 15625 B14R1.730 CC[C@H](C)COCCCc1ccsc1 7a_200000699776_100009816398 [0,2,0,0,0,0|2,0,0]=4 15626 B14R1.730 CC[C@H](C)COCCCn1cccc1 34a_100000179399_100009816398 [0,2,0,0,0,0|2,0,0]=4 15627 B14R1.730 CC[C@H](C)COCCCn1cccc1 7a_100000179399_100009816398 [0,2,0,0,0,0|2,0,0]=4 15628 B14R1.730 CC[C@H](C)COCCCn1cccc1 7a_100009816381_200009814367 [0,2,0,0,0,0|2,0,0]=4 15629 B14R1.730 CC[C@H](C)COCCCn1cccn1 34a_100000753614_100009816398 [0,2,0,0,0,0|2,0,0]=4 15630 B14R1.730 CC[C@H](C)COCCCn1cccn1 7a_100009816381_100000739983 [0,2,0,0,0,0|2,0,0]=4 15631 B14R1.730 CC[C@H](C)CSCCCc1cccs1 62a_100009816398_100010992444 [0,2,0,0,0,0|0,1,0]=3 15632 B14R1.730 CC[C@H](C)CSCCCc1cccs1 62a_100010992444_100009816398 [0,2,0,0,0,0|0,1,0]=3 15633 B14R1.730 CC[C@H](C)CSCCCn1cccc1 62a_100009816398_200009814367 [0,2,0,0,0,0|2,0,0]=4 15634 B14R1.730 CC[C@H](C)CSCCCn1cccc1 62a_200009814367_100009816398 [0,2,0,0,0,0|2,0,0]=4 15635 B14R1.730 CC[C@H](C)CSCCCn1cccn1 62a_100000739983_100009816398 [0,2,0,0,0,0|2,0,0]=4 15636 B14R1.730 CC[C@H](C)CSCCCn1cccn1 62a_100009816398_100000739983 [0,2,0,0,0,0|2,0,0]=4 15637 B14R1.730 CNC(=O)CCCNCc1ccco1 207a_100000740002_100000186105 [0,2,0,0,0,0|1,0,1]=4 15638 B14R1.730 CNC(=O)CCCNCc1ccco1 2230a_100000185738_100000741757 [0,2,0,0,0,0|1,0,1]=4 15639 B14R1.730 CNC(=O)CCCNCc1ccco1 270004a_100000740002_100000186105 [0,2,0,0,0,0|1,0,1]=4 15640 B14R1.730 CNC(=O)CCCNCc1ccco1 34a_100000185738_100000741757 [0,2,0,0,0,0|1,0,1]=4 15641 B14R1.730 CNC(=O)CCCOCc1ccco1 34a_100000210059_100000741757 [0,2,0,0,0,0|1,0,1]=4 15642 B14R1.730 CNC(=O)CCNCCc1ccco1 2230a_100000694680_100000737683 [0,2,0,0,0,0|1,0,1]=4 15643 B14R1.730 CNC(=O)CCNCCc1ccco1 34a_100000694680_100012179268 [0,2,0,0,0,0|1,0,1]=4 15644 B14R1.730 COC(=O)CCCCSc1ccco1 62a_100000204269_100009814098 [0,2,0,0,0,0|1,0,1]=4 15645 B14R1.730 COC(=O)CCCCSc1ccco1 62a_100009814098_100000204269 [0,2,0,0,0,0|1,0,1]=4 15646 B14R1.730 COC(=O)CCCNCc1ccco1 2230a_100000185738_100011218270 [0,2,0,0,0,0|1,0,1]=4 15647 B14R1.730 COC(=O)CCCNCc1ccco1 34a_100000185738_100000742333 [0,2,0,0,0,0|1,0,1]=4 15648 B14R1.730 COC(=O)CCCOCc1ccco1 34a_100000210059_100000742333 [0,2,0,0,0,0|1,0,1]=4 15649 B14R1.730 COC(=O)CCNCCc1ccco1 2230a_100000694680_100000204255 [0,2,0,0,0,0|1,0,1]=4 15650 B14R1.730 COC(=O)CCNCCc1ccco1 34a_100000694680_100000742370 [0,2,0,0,0,0|1,0,1]=4 15651 B14R1.730 COC(C)CCOCCc1cccs1 7a_100000764861_100000748579 [0,2,0,0,0,0|1,1,0]=4 15652 B14R1.730 COC(C)COCCCc1cccs1 34a_100000690652_100010992444 [0,2,0,0,0,0|1,1,0]=4 15653 B14R1.730 CO[C@H](C)CNCCCc1cccs1 2230a_100020591295_100010992444 [0,2,0,0,0,0|1,1,0]=4 15654 B14R1.730 C[C@@H](CN)CCCOCc1ncco1 34a_100160569302_103436540062 [0,2,0,0,0,0|2,0,0]=4 15655 B14R1.730 C[C@@H](CO)COCCCc1cccs1 34a_100011713143_100000059175 [0,2,0,0,0,0|1,1,0]=4 15656 B14R1.730 C[C@@H](CO)COCCCc1cccs1 7a_100011713143_100000059175 [0,2,0,0,0,0|1,1,0]=4 15657 B14R1.730 C[C@@H](CO)CSCCCc1cccs1 62a_100000059175_100010992444 [0,2,0,0,0,0|1,1,0]=4 15658 B14R1.730 C[C@@H](CO)CSCCCc1cccs1 62a_100010992444_100000059175 [0,2,0,0,0,0|1,1,0]=4 15659 B14R1.730 ClCC(Cl)COCCCc1cccs1 34a_100000033668_100010992444 [0,2,0,0,0,0|1,1,0]=4 15660 B14R1.730 NC[C@@H](F)COCCCc1cccs1 34a_100015665980_100010992444 [0,2,0,0,0,0|1,1,0]=4 15661 B14R1.730 OCC(O)COCCCc1cccs1 34a_100011713143_100011219619 [0,2,0,0,0,0|1,1,0]=4 15662 B14R1.730 OCC(O)COCCCc1cccs1 7a_100011713143_100011219619 [0,2,0,0,0,0|1,1,0]=4 15663 B14R1.730 OCC(O)CSCCCc1cccs1 62a_100010992444_100011219619 [0,2,0,0,0,0|1,1,0]=4 15664 B14R1.730 OCC(O)CSCCCc1cccs1 62a_100011219619_100010992444 [0,2,0,0,0,0|1,1,0]=4 15665 B14R1.730 OC[C@@H](O)CNCCCc1cccs1 2230a_100020644852_100010992444 [0,2,0,0,0,0|1,1,0]=4 15666 B14R1.730 OC[C@H](F)CNCCCc1cccs1 34a_100015665980_100010992444 [0,2,0,0,0,0|1,1,0]=4 15667 B14R1.730 OC[C@H](O)COCCCc1cccs1 34a_100011713143_100009815848 [0,2,0,0,0,0|1,1,0]=4 15668 B14R1.730 OC[C@H](O)COCCCc1cccs1 7a_100011713143_100009815848 [0,2,0,0,0,0|1,1,0]=4 15669 B14R1.730 OC[C@H](O)CSCCCc1cccs1 62a_100009815848_100010992444 [0,2,0,0,0,0|1,1,0]=4 15670 B14R1.730 OC[C@H](O)CSCCCc1cccs1 62a_100010992444_100009815848 [0,2,0,0,0,0|1,1,0]=4 15671 B14R1.730 O[C@@H](CF)COCCCc1cccs1 34a_100011713143_100015614560 [0,2,0,0,0,0|1,1,0]=4 15672 B14R1.730 O[C@@H](CF)COCCCc1cccs1 7a_100011713143_100015614560 [0,2,0,0,0,0|1,1,0]=4 15673 B14R1.730 O[C@@H](CF)CSCCCc1cccs1 62a_100010992444_100015614560 [0,2,0,0,0,0|1,1,0]=4 15674 B14R1.730 O[C@@H](CF)CSCCCc1cccs1 62a_100015614560_100010992444 [0,2,0,0,0,0|1,1,0]=4 15675 B14R1.454 CC(Cc1ccco1)N(C)CCCO 270004a_100000213112_100011216958 [0,2,0,0,0,0|2,0,0]=4 15676 B14R1.454 CCCCC(=O)N(C)Cc1ccco1 11a_100000185268_100000210183 [0,2,0,0,0,0|1,0,1]=4 15677 B14R1.454 CCCCC(=O)N(C)Cc1ccco1 240690a_100000185268_100000210183 [0,2,0,0,0,0|1,0,1]=4 15678 B14R1.454 CCCCC(=O)N(C)Cc1ccco1 527a_100000185268_100000210183 [0,2,0,0,0,0|1,0,1]=4 15679 B14R1.454 CCCCC(C)C(=O)Cc1ccc[nH]1 1458a_100000238377_200011215066 [0,2,0,0,0,0|1,0,1]=4 15680 B14R1.454 CCCCC(C)C(=O)Cc1ccco1 1458a_100011217309_200011215066 [0,2,0,0,0,0|0,0,1]=3 15681 B14R1.454 CCCCC(C)C(=O)Cc1cccs1 1458a_100000210189_200011215066 [0,2,0,0,0,0|0,1,1]=4 15682 B14R1.454 CCCCC(C)C(=O)Cc1ncco1 1458a_100000725509_103436540062 [0,2,0,0,0,0|1,0,1]=4 15683 B14R1.454 CCCCC(C)N(C)Cc1ccco1 2230a_100000185268_200011215066 [0,2,0,0,0,0|1,0,0]=3 15684 B14R1.454 CCCCC(C)N(C)Cc1ccco1 269982a_100000185268_200011215066 [0,2,0,0,0,0|1,0,0]=3 15685 B14R1.454 CCCCC(C)N(C)Cc1ccco1 270004a_100000185268_100000210087 [0,2,0,0,0,0|1,0,0]=3 15686 B14R1.454 CCCCC(C)N(C)Cc1cccs1 2230a_100000184426_200011215066 [0,2,0,0,0,0|1,1,0]=4 15687 B14R1.454 CCCCC(C)N(C)Cc1cccs1 269982a_100000184426_200011215066 [0,2,0,0,0,0|1,1,0]=4 15688 B14R1.454 CCCCC(C)N(C)Cc1cccs1 270004a_100000184426_100000210087 [0,2,0,0,0,0|1,1,0]=4 15689 B14R1.454 CCCCC(O)C(=O)Cc1ncco1 1458a_100000720857_103436540062 [0,2,0,0,0,0|1,0,1]=4 15690 B14R1.454 CCCCN(C)C(=O)Cc1ccco1 11a_100000207549_100011217309 [0,2,0,0,0,0|1,0,1]=4 15691 B14R1.454 CCCCN(C)C(=O)Cc1ccco1 527a_100000207549_100011217309 [0,2,0,0,0,0|1,0,1]=4 15692 B14R1.454 CCCCN(C)C(C)Cc1ccco1 270004a_100000207549_100011216958 [0,2,0,0,0,0|1,0,0]=3 15693 B14R1.454 CCSCC(C)N(C)Cc1ccco1 270004a_100000185268_200011216171 [0,2,0,0,0,0|2,0,0]=4 15694 B14R1.454 COCCC(C)N(C)Cc1ccco1 270004a_100000185268_100000742357 [0,2,0,0,0,0|2,0,0]=4 15695 B14R1.454 COCCN(C)C(C)Cc1ccco1 270004a_100000743101_100011216958 [0,2,0,0,0,0|2,0,0]=4 15696 B14R1.454 CSCCC(C)N(C)Cc1ccco1 270004a_100000185268_100011217047 [0,2,0,0,0,0|2,0,0]=4 15697 B14R1.454 CSCCN(C)C(C)Cc1ccco1 270004a_100000686725_100011216958 [0,2,0,0,0,0|2,0,0]=4 15698 B14R1.588 CC(CO)NC(C)CCc1ccco1 2230a_100000199034_100012180447 [0,2,0,0,0,0|2,0,0]=4 15699 B14R1.588 CC(CO)NC(C)CCc1ccco1 34a_100000199034_100012180447 [0,2,0,0,0,0|2,0,0]=4 15700 B14R1.588 CCC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000747405 [0,2,0,0,0,0|0,0,2]=4 15701 B14R1.588 CCC(=O)NC(C)CCc1ccco1 11a_100000199034_100000210414 [0,2,0,0,0,0|1,0,1]=4 15702 B14R1.588 CCC(=O)NC(C)CCc1ccco1 1626a_100000199034_100000210414 [0,2,0,0,0,0|1,0,1]=4 15703 B14R1.588 CCC(=O)NC(C)CCc1ccco1 527a_100000199034_100000210414 [0,2,0,0,0,0|1,0,1]=4 15704 B14R1.588 CCC(C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000748023 [0,2,0,0,0,0|1,0,1]=4 15705 B14R1.588 CCC(C)CC(=O)CCc1ccco1 1458a_100000185103_100000748023 [0,2,0,0,0,0|0,0,1]=3 15706 B14R1.588 CCC(C)CC(=O)CCc1cccs1 1458a_100000185280_100000748023 [0,2,0,0,0,0|0,1,1]=4 15707 B14R1.588 CCC(C)CC(=O)CCc1cccs1 1458a_100000708755_100000748579 [0,2,0,0,0,0|0,1,1]=4 15708 B14R1.588 CCC(C)CC(=O)NCc1ccco1 11a_100000185738_100000708755 [0,2,0,0,0,0|1,0,1]=4 15709 B14R1.588 CCC(C)CC(=O)NCc1ccco1 1626a_100000185738_100000708755 [0,2,0,0,0,0|1,0,1]=4 15710 B14R1.588 CCC(C)CC(=O)NCc1ccco1 240690a_100000185738_100000708755 [0,2,0,0,0,0|1,0,1]=4 15711 B14R1.588 CCC(C)CC(=O)NCc1ccco1 527a_100000185738_100000708755 [0,2,0,0,0,0|1,0,1]=4 15712 B14R1.588 CCC(C)CC(C)NCc1ccco1 207a_100000763565_100000186105 [0,2,0,0,0,0|1,0,0]=3 15713 B14R1.588 CCC(C)CC(C)NCc1ccco1 270004a_100000185738_100011710205 [0,2,0,0,0,0|1,0,0]=3 15714 B14R1.588 CCC(C)CC(C)NCc1ccco1 270004a_100000763565_100000186105 [0,2,0,0,0,0|1,0,0]=3 15715 B14R1.588 CCC(C)CC(C)NCc1cccs1 207a_100000763565_100000209959 [0,2,0,0,0,0|1,1,0]=4 15716 B14R1.588 CCC(C)CC(C)NCc1cccs1 270004a_100000211653_100011710205 [0,2,0,0,0,0|1,1,0]=4 15717 B14R1.588 CCC(C)CC(C)NCc1cccs1 270004a_100000763565_100000209959 [0,2,0,0,0,0|1,1,0]=4 15718 B14R1.588 CCC(C)CC(C)NCc1cnco1 270004a_100000763565_100000064291 [0,2,0,0,0,0|2,0,0]=4 15719 B14R1.588 CCC(C)CC(C)NCc1cnco1 270004a_100020634212_100011710205 [0,2,0,0,0,0|2,0,0]=4 15720 B14R1.588 CCC(C)CC(C)NCc1ncco1 2230a_100000763565_103436540062 [0,2,0,0,0,0|2,0,0]=4 15721 B14R1.588 CCC(C)CC(C)NCc1ncco1 270004a_100000763565_100000064290 [0,2,0,0,0,0|2,0,0]=4 15722 B14R1.588 CCC(C)CN(C)CCc1cccs1 2230a_100000753921_100000748579 [0,2,0,0,0,0|1,1,0]=4 15723 B14R1.588 CCC(C)CN(C)CCc1cccs1 269982a_100000753921_100000748579 [0,2,0,0,0,0|1,1,0]=4 15724 B14R1.588 CCC(C)NC(=O)CCc1ccco1 11a_100000209981_100000185103 [0,2,0,0,0,0|1,0,1]=4 15725 B14R1.588 CCC(C)NC(=O)CCc1ccco1 1626a_100000209981_100000185103 [0,2,0,0,0,0|1,0,1]=4 15726 B14R1.588 CCC(C)NC(=O)CCc1ccco1 527a_100000209981_100000185103 [0,2,0,0,0,0|1,0,1]=4 15727 B14R1.588 CCC(C)NC(C)CCc1ccco1 2230a_100000199034_100000758301 [0,2,0,0,0,0|1,0,0]=3 15728 B14R1.588 CCC(C)NC(C)CCc1ccco1 34a_100000199034_100011215416 [0,2,0,0,0,0|1,0,0]=3 15729 B14R1.588 CCC(O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100011218378 [0,2,0,0,0,0|1,0,1]=4 15730 B14R1.588 CCC(O)CC(=O)CCc1ccco1 1458a_100000185103_100011218378 [0,2,0,0,0,0|0,0,1]=3 15731 B14R1.588 CCC(O)CC(=O)CCc1cccs1 1458a_100000185280_100011218378 [0,2,0,0,0,0|0,1,1]=4 15732 B14R1.588 CCC(O)CC(=O)CCc1cccs1 1458a_100011667805_100000748579 [0,2,0,0,0,0|0,1,1]=4 15733 B14R1.588 CCC(O)CC(=O)NCc1ccco1 1626a_100000185738_100011667805 [0,2,0,0,0,0|1,0,1]=4 15734 B14R1.588 CCC(O)CC(=O)NCc1ccco1 240690a_100000185738_100011667805 [0,2,0,0,0,0|1,0,1]=4 15735 B14R1.588 CC[C@H](C)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100009816398 [0,2,0,0,0,0|1,0,1]=4 15736 B14R1.588 CC[C@H](C)CC(=O)CCc1ccco1 1458a_100000185103_100009816398 [0,2,0,0,0,0|0,0,1]=3 15737 B14R1.588 CC[C@H](C)CC(=O)CCc1cccs1 1458a_100000185280_100009816398 [0,2,0,0,0,0|0,1,1]=4 15738 B14R1.588 C[C@@H](CO)CC(=O)CCc1ccco1 1458a_100000185103_100000059175 [0,2,0,0,0,0|1,0,1]=4 15739 B14R1.633 CC(CCO)C(=O)CCc1ccco1 1458a_100000185103_100009893172 [0,2,0,0,0,0|1,0,1]=4 15740 B14R1.633 CCCC(C)C(=O)CCc1ccc[nH]1 1458a_200011998680_100000766640 [0,2,0,0,0,0|1,0,1]=4 15741 B14R1.633 CCCC(C)C(=O)CCc1ccco1 1458a_100000185103_100000766640 [0,2,0,0,0,0|0,0,1]=3 15742 B14R1.633 CCCC(C)C(=O)CCc1cccs1 1458a_100000185280_100000766640 [0,2,0,0,0,0|0,1,1]=4 15743 B14R1.633 CCCC(C)C(=O)CCc1cccs1 1458a_100000210906_100000748579 [0,2,0,0,0,0|0,1,1]=4 15744 B14R1.633 CCCC(C)C(=O)NCc1ccco1 11a_100000185738_100000210906 [0,2,0,0,0,0|1,0,1]=4 15745 B14R1.633 CCCC(C)C(=O)NCc1ccco1 1626a_100000185738_100000210906 [0,2,0,0,0,0|1,0,1]=4 15746 B14R1.633 CCCC(C)C(=O)NCc1ccco1 240690a_100000185738_100000210906 [0,2,0,0,0,0|1,0,1]=4 15747 B14R1.633 CCCC(C)C(=O)NCc1ccco1 527a_100000185738_100000210906 [0,2,0,0,0,0|1,0,1]=4 15748 B14R1.633 CCCC(C)C(C)NCc1ccco1 270004a_100000185738_100011216282 [0,2,0,0,0,0|1,0,0]=3 15749 B14R1.633 CCCC(C)C(C)NCc1cccs1 270004a_100000211653_100011216282 [0,2,0,0,0,0|1,1,0]=4 15750 B14R1.633 CCCC(C)C(C)NCc1cnco1 270004a_100020634212_100011216282 [0,2,0,0,0,0|2,0,0]=4 15751 B14R1.633 CCCC(C)C(C)OCc1ncco1 34a_100000708338_103436540062 [0,2,0,0,0,0|2,0,0]=4 15752 B14R1.633 CCCC(C)C(C)OCc1ncco1 7a_100000708338_103436540062 [0,2,0,0,0,0|2,0,0]=4 15753 B14R1.633 CCCN(C)C(=O)CCc1ccco1 11a_100000747261_100000185103 [0,2,0,0,0,0|1,0,1]=4 15754 B14R1.633 CCCN(C)C(=O)CCc1ccco1 1626a_100000747261_100000185103 [0,2,0,0,0,0|1,0,1]=4 15755 B14R1.633 CCCN(C)C(=O)CCc1ccco1 527a_100000747261_100000185103 [0,2,0,0,0,0|1,0,1]=4 15756 B14R1.633 CCC[C@H](O)C(=O)CCc1cccs1 1458a_100009822183_100000748579 [0,2,0,0,0,0|0,1,1]=4 15757 B14R1.633 CCC[C@H](O)C(=O)NCc1ccco1 240690a_100000185738_100009822183 [0,2,0,0,0,0|1,0,1]=4 15758 B14R1.633 COCC(C)C(=O)CCc1ccco1 1458a_100000185103_100000765312 [0,2,0,0,0,0|1,0,1]=4 15759 B14R1.916 CCCCC(C)NCc1cccn1C 270004a_100000126638_100000211633 [0,2,0,0,0,0|2,0,0]=4 15760 B14R1.916 CCCCC(C)NCc1cccn1C 34a_100011219357_200011215066 [0,2,0,0,0,0|2,0,0]=4 15761 B14R1.916 CCCCC(C)NCc1occc1Br 270004a_100000126638_100000756499 [0,2,0,0,0,0|1,0,0]=3 15762 B14R1.916 CCCCC(C)NCc1occc1C 207a_100000126638_100000763527 [0,2,0,0,0,0|1,0,0]=3 15763 B14R1.916 CCCCC(C)NCc1occc1C 270004a_100000126638_100000763527 [0,2,0,0,0,0|1,0,0]=3 15764 B14R1.916 CCCCC(C)NCc1sccc1Br 207a_100000126638_100000766043 [0,2,0,0,0,0|1,1,0]=4 15765 B14R1.916 CCCCC(C)NCc1sccc1Br 270004a_100000126638_100000766043 [0,2,0,0,0,0|1,1,0]=4 15766 B14R1.916 CCCCC(C)NCc1sccc1C 207a_100000126638_100000210881 [0,2,0,0,0,0|1,1,0]=4 15767 B14R1.916 CCCCC(C)NCc1sccc1C 2230a_100000238519_200011215066 [0,2,0,0,0,0|1,1,0]=4 15768 B14R1.916 CCCCC(C)NCc1sccc1C 270004a_100000126638_100000210881 [0,2,0,0,0,0|1,1,0]=4 15769 B14R1.916 CCCCC(C)NCc1sccc1C 270004a_100000238519_100000210087 [0,2,0,0,0,0|1,1,0]=4 15770 B14R1.916 CCCCC(C)NCc1sccc1C 34a_100000238519_200011215066 [0,2,0,0,0,0|1,1,0]=4 15771 B14R1.916 CCCCC(C)NCc1sccc1Cl 207a_100000126638_100000722334 [0,2,0,0,0,0|1,1,0]=4 15772 B14R1.916 CCCCC(C)NCc1sccc1Cl 2230a_100011934584_200011215066 [0,2,0,0,0,0|1,1,0]=4 15773 B14R1.916 CCCCC(C)NCc1sccc1Cl 270004a_100000126638_100000722334 [0,2,0,0,0,0|1,1,0]=4 15774 B14R1.916 CCCCC(C)NCc1sccc1Cl 270004a_100011934584_100000210087 [0,2,0,0,0,0|1,1,0]=4 15775 B14R1.916 CCCCC(C)NCc1sccc1Cl 34a_100011934584_200011215066 [0,2,0,0,0,0|1,1,0]=4 15776 B14R1.916 CCCCC(C)OCc1occc1C 34a_100011273948_200011215066 [0,2,0,0,0,0|1,0,0]=3 15777 B14R1.916 CCCCC(C)OCc1occc1C 7a_100011273948_200011215066 [0,2,0,0,0,0|1,0,0]=3 15778 B14R1.916 CCCCC(C)OCc1ocnc1C 34a_100000717716_200011215066 [0,2,0,0,0,0|2,0,0]=4 15779 B14R1.916 CCCCC(C)OCc1ocnc1C 7a_100000717716_200011215066 [0,2,0,0,0,0|2,0,0]=4 15780 B14R1.916 CCCCC(C)OCc1oncc1C 34a_200011065769_200011215066 [0,2,0,0,0,0|2,0,0]=4 15781 B14R1.916 CCCCC(C)OCc1sccc1Br 34a_100000702026_200011215066 [0,2,0,0,0,0|1,1,0]=4 15782 B14R1.916 CCCCC(C)OCc1sccc1C 34a_100000238368_200011215066 [0,2,0,0,0,0|1,1,0]=4 15783 B14R1.916 CCCCC(C)OCc1sccc1C 7a_100000238368_200011215066 [0,2,0,0,0,0|1,1,0]=4 15784 B14R1.916 CCCCC(C)OCc1sccc1Cl 34a_100000722387_200011215066 [0,2,0,0,0,0|1,1,0]=4 15785 B14R1.916 CCCCC(C)OCc1sccc1Cl 7a_100000722387_200011215066 [0,2,0,0,0,0|1,1,0]=4 15786 B14R1.3343 C#CC(CCCC)OCc1ncco1 34a_200011217967_103436540062 [0,2,0,0,0,0|2,0,0]=4 15787 B14R1.3343 C#CC(CCCC)OCc1ncco1 7a_200011217967_103436540062 [0,2,0,0,0,0|2,0,0]=4 15788 B14R1.3343 C=CC(CCCC)OCc1ncco1 34a_200011215037_103436540062 [0,2,0,0,0,0|2,0,0]=4 15789 B14R1.3343 C=CC(CCCC)OCc1ncco1 7a_200011215037_103436540062 [0,2,0,0,0,0|2,0,0]=4 15790 B14R1.3343 CCCCC(CC)CSc1ccco1 62a_100000211942_100009814098 [0,2,0,0,0,0|1,0,0]=3 15791 B14R1.3343 CCCCC(CC)CSc1ccco1 62a_100009814098_100000211942 [0,2,0,0,0,0|1,0,0]=3 15792 B14R1.3343 CCCCC(CC)CSc1cccs1 62a_100000211942_100011215356 [0,2,0,0,0,0|1,1,0]=4 15793 B14R1.3343 CCCCC(CC)CSc1cccs1 62a_100011215356_100000211942 [0,2,0,0,0,0|1,1,0]=4 15794 B14R1.3343 CCCCC(CC)CSc1cnco1 62a_100000211942_100020591547 [0,2,0,0,0,0|2,0,0]=4 15795 B14R1.3343 CCCCC(CC)CSc1cnco1 62a_100020591547_100000211942 [0,2,0,0,0,0|2,0,0]=4 15796 B14R1.3343 CCCCC(CC)CSc1ncco1 62a_100000211942_100011787736 [0,2,0,0,0,0|2,0,0]=4 15797 B14R1.3343 CCCCC(CC)CSc1ncco1 62a_100011787736_100000211942 [0,2,0,0,0,0|2,0,0]=4 15798 B14R1.3343 CCCCC(CC)NCc1ccco1 270004a_100000185738_100000753412 [0,2,0,0,0,0|1,0,0]=3 15799 B14R1.3343 CCCCC(CC)NCc1ccco1 34a_100000185738_200011216223 [0,2,0,0,0,0|1,0,0]=3 15800 B14R1.3343 CCCCC(CC)NCc1cccs1 270004a_100000211653_100000753412 [0,2,0,0,0,0|1,1,0]=4 15801 B14R1.3343 CCCCC(CC)NCc1cnco1 270004a_100020634212_100000753412 [0,2,0,0,0,0|2,0,0]=4 15802 B14R1.3343 CCCCC(CC)OCc1ccco1 34a_100000210059_200011216223 [0,2,0,0,0,0|1,0,0]=3 15803 B14R1.3343 CCCCC(CC)OCc1cccs1 34a_100000211240_200011216223 [0,2,0,0,0,0|1,1,0]=4 15804 B14R1.3343 CCCCC(CC)OCc1ccno1 34a_100000740478_200011216223 [0,2,0,0,0,0|2,0,0]=4 15805 B14R1.3343 CCCCC(CC)OCc1ncco1 34a_100000062594_200011216223 [0,2,0,0,0,0|2,0,0]=4 15806 B14R1.3343 CCCCC(CC)OCc1ncco1 34a_100011215227_103436540062 [0,2,0,0,0,0|2,0,0]=4 15807 B14R1.3343 CCCCC(CC)OCc1ncco1 7a_100011215227_103436540062 [0,2,0,0,0,0|2,0,0]=4 15808 B14R1.3343 CCCCC(CC)SCc1ncco1 62a_103436540062_200011216223 [0,2,0,0,0,0|2,0,0]=4 15809 B14R1.3343 CCCCC(CC)SCc1ncco1 62a_200011216223_103436540062 [0,2,0,0,0,0|2,0,0]=4 15810 B14R1.3343 CCCCN(CC)CCc1cccs1 2230a_100000207695_100000748579 [0,2,0,0,0,0|1,1,0]=4 15811 B14R1.3343 CCCCN(CC)CCc1cccs1 269982a_100000207695_100000748579 [0,2,0,0,0,0|1,1,0]=4 15812 B14R1.3343 CCCC[C@@H](CO)NCc1ccco1 207a_100011934283_100000186105 [0,2,0,0,0,0|1,0,0]=3 15813 B14R1.3343 CCCC[C@@H](CO)NCc1ccco1 270004a_100011934283_100000186105 [0,2,0,0,0,0|1,0,0]=3 15814 B14R1.3343 CCCC[C@@H](CO)NCc1cccs1 207a_100011934283_100000209959 [0,2,0,0,0,0|1,1,0]=4 15815 B14R1.3343 CCCC[C@@H](CO)NCc1cccs1 270004a_100011934283_100000209959 [0,2,0,0,0,0|1,1,0]=4 15816 B14R1.3343 CCCC[C@@H](CO)NCc1cnco1 270004a_100011934283_100000064291 [0,2,0,0,0,0|2,0,0]=4 15817 B14R1.3343 CCCC[C@@H](CO)NCc1ncco1 2230a_100011934283_103436540062 [0,2,0,0,0,0|2,0,0]=4 15818 B14R1.3343 CCCC[C@@H](CO)NCc1ncco1 270004a_100011934283_100000064290 [0,2,0,0,0,0|2,0,0]=4 15819 B14R1.3343 CCCC[C@@H](CO)NCc1ncco1 34a_100011934283_103436540062 [0,2,0,0,0,0|2,0,0]=4 15820 B14R1.3343 CSCC[C@@H](CO)NCc1ccco1 207a_100011827619_100000186105 [0,2,0,0,0,0|2,0,0]=4 15821 B14R1.3343 CSCC[C@@H](CO)NCc1ccco1 270004a_100011827619_100000186105 [0,2,0,0,0,0|2,0,0]=4 15822 B14R1.4526 C=C(C)CCC(=O)CCc1ccco1 1458a_100000185103_100000730704 [0,2,0,0,0,0|0,0,2]=4 15823 B14R1.4526 C=C(C)CCC(C)NCc1ccco1 270004a_100000185738_100011215600 [0,2,0,0,0,0|1,0,1]=4 15824 B14R1.4526 C=C(C)CNC(C)CCc1ccco1 2230a_100000199034_100000748629 [0,2,0,0,0,0|1,0,1]=4 15825 B14R1.4526 C=C(C)CNC(C)CCc1ccco1 34a_100000199034_100000748629 [0,2,0,0,0,0|1,0,1]=4 15826 B14R1.4526 CC(C)CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210312 [0,2,0,0,0,0|1,0,1]=4 15827 B14R1.4526 CC(C)CCC(=O)CCc1ccco1 1458a_100000185103_100000210312 [0,2,0,0,0,0|0,0,1]=3 15828 B14R1.4526 CC(C)CCC(=O)CCc1cccs1 1458a_100000181311_100000748579 [0,2,0,0,0,0|0,1,1]=4 15829 B14R1.4526 CC(C)CCC(=O)CCc1cccs1 1458a_100000185280_100000210312 [0,2,0,0,0,0|0,1,1]=4 15830 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 11a_100000185738_100000181311 [0,2,0,0,0,0|1,0,1]=4 15831 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 1626a_100000185738_100000181311 [0,2,0,0,0,0|1,0,1]=4 15832 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 240690a_100000185738_100000181311 [0,2,0,0,0,0|1,0,1]=4 15833 B14R1.4526 CC(C)CCC(=O)NCc1ccco1 527a_100000185738_100000181311 [0,2,0,0,0,0|1,0,1]=4 15834 B14R1.4526 CC(C)CCC(C)NCc1ccco1 207a_100138410893_100000186105 [0,2,0,0,0,0|1,0,0]=3 15835 B14R1.4526 CC(C)CCC(C)NCc1ccco1 2230a_100000185738_100011261404 [0,2,0,0,0,0|1,0,0]=3 15836 B14R1.4526 CC(C)CCC(C)NCc1ccco1 270004a_100000185738_100000210476 [0,2,0,0,0,0|1,0,0]=3 15837 B14R1.4526 CC(C)CCC(C)NCc1ccco1 270004a_100138410893_100000186105 [0,2,0,0,0,0|1,0,0]=3 15838 B14R1.4526 CC(C)CCC(C)NCc1ccco1 34a_100000185738_100011261404 [0,2,0,0,0,0|1,0,0]=3 15839 B14R1.4526 CC(C)CCC(C)NCc1cccs1 207a_100138410893_100000209959 [0,2,0,0,0,0|1,1,0]=4 15840 B14R1.4526 CC(C)CCC(C)NCc1cccs1 2230a_100000211653_100011261404 [0,2,0,0,0,0|1,1,0]=4 15841 B14R1.4526 CC(C)CCC(C)NCc1cccs1 270004a_100000211653_100000210476 [0,2,0,0,0,0|1,1,0]=4 15842 B14R1.4526 CC(C)CCC(C)NCc1cccs1 270004a_100138410893_100000209959 [0,2,0,0,0,0|1,1,0]=4 15843 B14R1.4526 CC(C)CCC(C)NCc1cnco1 270004a_100020634212_100000210476 [0,2,0,0,0,0|2,0,0]=4 15844 B14R1.4526 CC(C)CCC(C)NCc1cnco1 270004a_100138410893_100000064291 [0,2,0,0,0,0|2,0,0]=4 15845 B14R1.4526 CC(C)CCC(C)NCc1ncco1 2230a_100016994969_100011261404 [0,2,0,0,0,0|2,0,0]=4 15846 B14R1.4526 CC(C)CCC(C)NCc1ncco1 2230a_100138410893_103436540062 [0,2,0,0,0,0|2,0,0]=4 15847 B14R1.4526 CC(C)CCC(C)NCc1ncco1 270004a_100138410893_100000064290 [0,2,0,0,0,0|2,0,0]=4 15848 B14R1.4526 CC(C)CCC(C)OCc1ccco1 34a_100000210059_100011261404 [0,2,0,0,0,0|1,0,0]=3 15849 B14R1.4526 CC(C)CCC(C)OCc1cccs1 34a_100000211240_100011261404 [0,2,0,0,0,0|1,1,0]=4 15850 B14R1.4526 CC(C)CCC(C)OCc1ccno1 34a_100000740478_100011261404 [0,2,0,0,0,0|2,0,0]=4 15851 B14R1.4526 CC(C)CCC(C)OCc1ncco1 34a_100000062594_100011261404 [0,2,0,0,0,0|2,0,0]=4 15852 B14R1.4526 CC(C)CCC(C)OCc1ncco1 34a_100011215350_103436540062 [0,2,0,0,0,0|2,0,0]=4 15853 B14R1.4526 CC(C)CCC(C)OCc1ncco1 7a_100011215350_103436540062 [0,2,0,0,0,0|2,0,0]=4 15854 B14R1.4526 CC(C)CCC(C)SCc1ncco1 62a_100011261404_103436540062 [0,2,0,0,0,0|2,0,0]=4 15855 B14R1.4526 CC(C)CCC(C)SCc1ncco1 62a_103436540062_100011261404 [0,2,0,0,0,0|2,0,0]=4 15856 B14R1.4526 CC(C)CCN(C)CCc1cccs1 2230a_100000742789_100000748579 [0,2,0,0,0,0|1,1,0]=4 15857 B14R1.4526 CC(C)CCN(C)CCc1cccs1 269982a_100000742789_100000748579 [0,2,0,0,0,0|1,1,0]=4 15858 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 11a_100000210953_100000185103 [0,2,0,0,0,0|1,0,1]=4 15859 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 1626a_100000210953_100000185103 [0,2,0,0,0,0|1,0,1]=4 15860 B14R1.4526 CC(C)CNC(=O)CCc1ccco1 527a_100000210953_100000185103 [0,2,0,0,0,0|1,0,1]=4 15861 B14R1.4526 CC(C)CNC(C)CCc1ccco1 2230a_100000199034_100000210760 [0,2,0,0,0,0|1,0,0]=3 15862 B14R1.4526 CC(C)CNC(C)CCc1ccco1 270004a_100000199034_100000210432 [0,2,0,0,0,0|1,0,0]=3 15863 B14R1.4526 CC(C)CNC(C)CCc1ccco1 34a_100000199034_100000210624 [0,2,0,0,0,0|1,0,0]=3 15864 B14R1.4526 CC(CCc1ccco1)NCC(F)F 2230a_100000199034_100011934356 [0,2,0,0,0,0|2,0,0]=4 15865 B14R1.4526 CC(CCc1ccco1)NCC(F)F 34a_100000199034_100011934356 [0,2,0,0,0,0|2,0,0]=4 15866 B14R1.4526 CC(CCc1ccco1)NC[C@@H](C)O 2230a_100000199034_100009817552 [0,2,0,0,0,0|1,0,0]=3 15867 B14R1.4526 CC(CCc1ccco1)NC[C@@H](C)O 34a_100000199034_100009817552 [0,2,0,0,0,0|1,0,0]=3 15868 B14R1.4526 CC(O)CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100012276601 [0,2,0,0,0,0|1,0,1]=4 15869 B14R1.4526 CC(O)CCC(=O)CCc1ccco1 1458a_100000185103_100012276601 [0,2,0,0,0,0|0,0,1]=3 15870 B14R1.4526 CC(O)CCC(=O)CCc1cccs1 1458a_100000185280_100012276601 [0,2,0,0,0,0|0,1,1]=4 15871 B14R1.4526 CC(O)CCC(=O)NCc1ccco1 1626a_100000185738_100000718519 [0,2,0,0,0,0|1,0,1]=4 15872 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 11a_100000210904_100000185103 [0,2,0,0,0,0|1,0,1]=4 15873 B14R1.4526 CC(O)CNC(=O)CCc1ccco1 527a_100000210904_100000185103 [0,2,0,0,0,0|1,0,1]=4 15874 B14R1.4526 CC(O)CNC(C)CCc1ccco1 2230a_100000199034_100011218427 [0,2,0,0,0,0|1,0,0]=3 15875 B14R1.4526 CC(O)CNC(C)CCc1ccco1 34a_100000199034_100011218427 [0,2,0,0,0,0|1,0,0]=3 15876 B14R1.4531 CCCCC(C)(C)OCc1ncco1 7a_100011219641_103436540062 [0,2,0,0,0,0|2,0,0]=4 15877 B14R1.4531 CCCCS(=O)(=O)NCc1ccco1 270084a_100000185738_100000212082 [0,2,0,0,0,0|2,0,0]=4 15878 B14R1.4531 CCCCS(=O)(=O)NCc1ccco1 274078a_100000185738_100000212082 [0,2,0,0,0,0|2,0,0]=4 15879 B14R1.4531 CCCCS(=O)(=O)NCc1ccco1 40a_100000185738_100000054263 [0,2,0,0,0,0|2,0,0]=4 15880 B14R1.4531 CCCC[Si](C)(C)CSc1ccco1 62a_100009814098_200000073895 [0,2,0,0,0,0|1,1,0]=4 15881 B14R1.4531 CCCC[Si](C)(C)CSc1ccco1 62a_200000073895_100009814098 [0,2,0,0,0,0|1,1,0]=4 15882 B14R1.621 CC(CCO)OC(C)Cc1ccco1 34a_100011803939_100009893172 [0,2,0,0,0,0|2,0,0]=4 15883 B14R1.621 CC(CCO)OC(C)Cc1ccco1 7a_100011803939_100009893172 [0,2,0,0,0,0|2,0,0]=4 15884 B14R1.621 CC(Cc1ccco1)N[C@H](C)CCO 270004a_100000706166_100011216958 [0,2,0,0,0,0|2,0,0]=4 15885 B14R1.621 CCCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747444 [0,2,0,0,0,0|0,0,2]=4 15886 B14R1.621 CCCC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000747444 [0,2,0,0,0,0|1,0,1]=4 15887 B14R1.621 CCCC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747444 [0,2,0,0,0,0|1,0,1]=4 15888 B14R1.621 CCCC(C)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100011216630 [0,2,0,0,0,0|1,0,1]=4 15889 B14R1.621 CCCC(C)CC(=O)Cc1ccco1 1458a_100011217309_100011216630 [0,2,0,0,0,0|0,0,1]=3 15890 B14R1.621 CCCC(C)CC(=O)Cc1cccs1 1458a_100000210189_100011216630 [0,2,0,0,0,0|0,1,1]=4 15891 B14R1.621 CCCC(C)CC(=O)Cc1ncco1 1458a_100000748435_103436540062 [0,2,0,0,0,0|1,0,1]=4 15892 B14R1.621 CCCC(C)CN(C)Cc1ccco1 2230a_100000185268_100011216630 [0,2,0,0,0,0|1,0,0]=3 15893 B14R1.621 CCCC(C)CN(C)Cc1ccco1 269982a_100000185268_100011216630 [0,2,0,0,0,0|1,0,0]=3 15894 B14R1.621 CCCC(C)CN(C)Cc1ccco1 270004a_100000185268_100000243154 [0,2,0,0,0,0|1,0,0]=3 15895 B14R1.621 CCCC(C)CN(C)Cc1cccs1 2230a_100000184426_100011216630 [0,2,0,0,0,0|1,1,0]=4 15896 B14R1.621 CCCC(C)CN(C)Cc1cccs1 269982a_100000184426_100011216630 [0,2,0,0,0,0|1,1,0]=4 15897 B14R1.621 CCCC(C)CN(C)Cc1cccs1 270004a_100000184426_100000243154 [0,2,0,0,0,0|1,1,0]=4 15898 B14R1.621 CCCC(C)NC(=O)Cc1ccco1 11a_100000741246_100011217309 [0,2,0,0,0,0|1,0,1]=4 15899 B14R1.621 CCCC(C)NC(=O)Cc1ccco1 527a_100000741246_100011217309 [0,2,0,0,0,0|1,0,1]=4 15900 B14R1.621 CCCC(C)NC(C)Cc1ccco1 270004a_100000741246_100011216958 [0,2,0,0,0,0|1,0,0]=3 15901 B14R1.621 CCCC(C)NC(C)Cc1cccs1 2230a_100000751415_100000766640 [0,2,0,0,0,0|1,1,0]=4 15902 B14R1.621 CCCC(C)NC(C)Cc1cccs1 270004a_100000751415_100000211909 [0,2,0,0,0,0|1,1,0]=4 15903 B14R1.621 CCCC(C)OC(C)Cc1ccco1 34a_100011803939_100000766640 [0,2,0,0,0,0|1,0,0]=3 15904 B14R1.621 CCCC(C)OC(C)Cc1ccco1 7a_100011803939_100000766640 [0,2,0,0,0,0|1,0,0]=3 15905 B14R1.621 COCC(C)OC(C)Cc1ccco1 34a_100011803939_100000765312 [0,2,0,0,0,0|2,0,0]=4 15906 B14R1.621 COCC(C)OC(C)Cc1ccco1 7a_100011803939_100000765312 [0,2,0,0,0,0|2,0,0]=4 15907 B14R1.621 COCC(O)CN(C)Cc1ccco1 270004a_100000739405_100000186105 [0,2,0,0,0,0|2,0,0]=4 15908 B14R1.621 COC[C@@H](C)NC(C)Cc1ccco1 270004a_100000764878_100011216958 [0,2,0,0,0,0|2,0,0]=4 15909 B14R1.731 CC(Cc1ccco1)NC[C@@H](F)CO 270004a_100015665980_100011216958 [0,2,0,0,0,0|2,0,0]=4 15910 B14R1.731 CC(Cc1ccco1)OCC(O)CO 34a_100011803939_100011219619 [0,2,0,0,0,0|2,0,0]=4 15911 B14R1.731 CC(Cc1ccco1)OCC(O)CO 7a_100011803939_100011219619 [0,2,0,0,0,0|2,0,0]=4 15912 B14R1.731 CC(Cc1ccco1)OC[C@@H](C)CO 34a_100011803939_100000059175 [0,2,0,0,0,0|2,0,0]=4 15913 B14R1.731 CC(Cc1ccco1)OC[C@@H](C)CO 7a_100011803939_100000059175 [0,2,0,0,0,0|2,0,0]=4 15914 B14R1.731 CC(Cc1ccco1)OC[C@@H](O)CF 34a_100011803939_100015614560 [0,2,0,0,0,0|2,0,0]=4 15915 B14R1.731 CC(Cc1ccco1)OC[C@@H](O)CF 7a_100011803939_100015614560 [0,2,0,0,0,0|2,0,0]=4 15916 B14R1.731 CC(Cc1ccco1)OC[C@@H](O)CO 34a_100011803939_100009815848 [0,2,0,0,0,0|2,0,0]=4 15917 B14R1.731 CC(Cc1ccco1)OC[C@@H](O)CO 7a_100011803939_100009815848 [0,2,0,0,0,0|2,0,0]=4 15918 B14R1.731 CCC(=O)COC(C)Cc1ccco1 7a_100011803939_100000747405 [0,2,0,0,0,0|1,0,1]=4 15919 B14R1.731 CCC(C)CCC(=O)Cc1ncco1 1458a_100000701222_103436540062 [0,2,0,0,0,0|1,0,1]=4 15920 B14R1.731 CCC(C)CNC(=O)Cc1ccco1 11a_100020588543_100011217309 [0,2,0,0,0,0|1,0,1]=4 15921 B14R1.731 CCC(C)CNC(=O)Cc1ccco1 527a_100020588543_100011217309 [0,2,0,0,0,0|1,0,1]=4 15922 B14R1.731 CCC(C)CNC(C)Cc1ccco1 270004a_100020588543_100011216958 [0,2,0,0,0,0|1,0,0]=3 15923 B14R1.731 CCC(C)CNC(C)Cc1cccs1 2230a_100000751415_100000748023 [0,2,0,0,0,0|1,1,0]=4 15924 B14R1.731 CCC(C)CNC(C)Cc1cccs1 270004a_100000751415_100000243153 [0,2,0,0,0,0|1,1,0]=4 15925 B14R1.731 CCC(C)COC(C)Cc1ccco1 34a_100011803939_100000748023 [0,2,0,0,0,0|1,0,0]=3 15926 B14R1.731 CCC(C)COC(C)Cc1ccco1 7a_100011803939_100000748023 [0,2,0,0,0,0|1,0,0]=3 15927 B14R1.731 CCC(O)CNC(=O)Cc1ccco1 11a_100011218483_100011217309 [0,2,0,0,0,0|1,0,1]=4 15928 B14R1.731 CCC(O)CNC(=O)Cc1ccco1 527a_100011218483_100011217309 [0,2,0,0,0,0|1,0,1]=4 15929 B14R1.731 CCC(O)CNC(C)Cc1ccco1 270004a_100011218483_100011216958 [0,2,0,0,0,0|1,0,0]=3 15930 B14R1.731 CCC(O)CNC(C)Cc1cccs1 2230a_100000751415_100011218378 [0,2,0,0,0,0|1,1,0]=4 15931 B14R1.731 CCC(O)COC(C)Cc1ccco1 34a_100011803939_100011218378 [0,2,0,0,0,0|1,0,0]=3 15932 B14R1.731 CCC(O)COC(C)Cc1ccco1 7a_100011803939_100011218378 [0,2,0,0,0,0|1,0,0]=3 15933 B14R1.731 CC[C@H](C)CNC(C)Cc1cccs1 2230a_100000751415_100009816398 [0,2,0,0,0,0|1,1,0]=4 15934 B14R1.731 CC[C@H](C)COC(C)Cc1ccco1 34a_100011803939_100009816398 [0,2,0,0,0,0|1,0,0]=3 15935 B14R1.731 CC[C@H](C)COC(C)Cc1ccco1 7a_100011803939_100009816398 [0,2,0,0,0,0|1,0,0]=3 15936 B14R1.731 CO[C@H](C)CNC(C)Cc1ccco1 270004a_100020591295_100011216958 [0,2,0,0,0,0|2,0,0]=4 15937 B14R1.777 CCC(Cc1ccco1)NCCCF 270004a_100015189416_200011996595 [0,2,0,0,0,0|2,0,0]=4 15938 B14R1.777 CCC(Cc1ccco1)NCCCO 270004a_100000182051_200011996595 [0,2,0,0,0,0|2,0,0]=4 15939 B14R1.777 CCC(Cc1ccco1)NCCOC 270004a_100000209980_200011996595 [0,2,0,0,0,0|2,0,0]=4 15940 B14R1.777 CCC(Cc1ccco1)NCCSC 270004a_100020590264_200011996595 [0,2,0,0,0,0|2,0,0]=4 15941 B14R1.777 CCCCCN(CC)Cc1ccco1 2230a_100000739255_100000210326 [0,2,0,0,0,0|1,0,0]=3 15942 B14R1.777 CCCCCN(CC)Cc1ccco1 269982a_100000739255_100000210215 [0,2,0,0,0,0|1,0,0]=3 15943 B14R1.777 CCCCCN(CC)Cc1cccs1 2230a_100025770963_100000210326 [0,2,0,0,0,0|1,1,0]=4 15944 B14R1.777 CCCCCN(CC)Cc1cccs1 269982a_100025770963_100000210215 [0,2,0,0,0,0|1,1,0]=4 15945 B14R1.777 CCCCNC(CC)Cc1ccco1 270004a_100000102301_200011996595 [0,2,0,0,0,0|1,0,0]=3 15946 B14R1.777 CCCNCC(CO)Cc1ccco1 34a_100000736158_100000210303 [0,2,0,0,0,0|1,0,0]=3 15947 B14R1.777 CCCNCC(CO)Cc1cccs1 34a_114948341022_100000210303 [0,2,0,0,0,0|1,1,0]=4 15948 B14R1.777 CCCOCC(CN)Cc1ccco1 34a_100000736158_100000210303 [0,2,0,0,0,0|1,0,0]=3 15949 B14R1.777 CCCOCC(CN)Cc1cccs1 34a_114948341022_100000210303 [0,2,0,0,0,0|1,1,0]=4 15950 B14R1.777 CCN(CCCCF)Cc1ccco1 2230a_100000739255_100000729493 [0,2,0,0,0,0|2,0,0]=4 15951 B14R1.777 CCN(CCCCF)Cc1ccco1 269982a_100000739255_100000729493 [0,2,0,0,0,0|2,0,0]=4 15952 B14R1.777 CCN(CCCCO)Cc1ccco1 2230a_100000739255_100000210776 [0,2,0,0,0,0|2,0,0]=4 15953 B14R1.777 CCN(CCCCO)Cc1ccco1 269982a_100000739255_100000210776 [0,2,0,0,0,0|2,0,0]=4 15954 B14R1.777 CCN(CCCCO)Cc1ccco1 270004a_100011217355_100000186105 [0,2,0,0,0,0|2,0,0]=4 15955 B14R1.777 CCN(CCCOC)Cc1ccco1 2230a_100000739255_100000740836 [0,2,0,0,0,0|2,0,0]=4 15956 B14R1.777 CCN(CCCOC)Cc1ccco1 269982a_100000739255_100000740836 [0,2,0,0,0,0|2,0,0]=4 15957 B14R1.777 CCOCCN(CC)Cc1ccco1 2230a_100000739255_100011215890 [0,2,0,0,0,0|2,0,0]=4 15958 B14R1.777 CCOCCN(CC)Cc1ccco1 269982a_100000739255_100011215890 [0,2,0,0,0,0|2,0,0]=4 15959 B14R1.777 CCSCCN(CC)Cc1ccco1 2230a_100000739255_100000757381 [0,2,0,0,0,0|2,0,0]=4 15960 B14R1.777 CCSCCN(CC)Cc1ccco1 269982a_100000739255_100000757381 [0,2,0,0,0,0|2,0,0]=4 15961 B14R1.777 CSCNCC(CO)Cc1ccco1 34a_100000736158_100011218213 [0,2,0,0,0,0|2,0,0]=4 15962 B14R1.777 CSCOCC(CN)Cc1ccco1 34a_100000736158_100011218213 [0,2,0,0,0,0|2,0,0]=4 15963 B14R1.777 NCC(COCCF)Cc1ccco1 34a_100000736158_100011217306 [0,2,0,0,0,0|2,0,0]=4 15964 B14R1.777 NCC(COCCO)Cc1ccco1 34a_100000736158_100000211926 [0,2,0,0,0,0|2,0,0]=4 15965 B14R1.777 OCC(CNCCF)Cc1ccco1 34a_100000736158_100011217306 [0,2,0,0,0,0|2,0,0]=4 15966 B14R1.777 OCCNCC(CO)Cc1ccco1 34a_100000736158_100000211926 [0,2,0,0,0,0|2,0,0]=4 15967 B14R1.810 C=C(C)CCOC(C)Cc1ccco1 34a_100011803939_100000730704 [0,2,0,0,0,0|1,0,1]=4 15968 B14R1.810 C=C(C)CCOC(C)Cc1ccco1 7a_100011803939_100000730704 [0,2,0,0,0,0|1,0,1]=4 15969 B14R1.810 CC(=O)CCCC(=O)Cc1ccco1 1458a_100011217309_100011215641 [0,2,0,0,0,0|0,0,2]=4 15970 B14R1.810 CC(=O)CCCN(C)Cc1ccco1 269982a_100000185268_100011215641 [0,2,0,0,0,0|1,0,1]=4 15971 B14R1.810 CC(=O)CCOC(C)Cc1ccco1 7a_100011803939_100000053229 [0,2,0,0,0,0|1,0,1]=4 15972 B14R1.810 CC(C)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011214892 [0,2,0,0,0,0|1,0,1]=4 15973 B14R1.810 CC(C)CCCC(=O)Cc1ccco1 1458a_100011217309_100011214892 [0,2,0,0,0,0|0,0,1]=3 15974 B14R1.810 CC(C)CCCC(=O)Cc1cccs1 1458a_100000210189_100011214892 [0,2,0,0,0,0|0,1,1]=4 15975 B14R1.810 CC(C)CCCC(=O)Cc1ncco1 1458a_100011216857_103436540062 [0,2,0,0,0,0|1,0,1]=4 15976 B14R1.810 CC(C)CCCN(C)Cc1ccco1 2230a_100000185268_100011214892 [0,2,0,0,0,0|1,0,0]=3 15977 B14R1.810 CC(C)CCCN(C)Cc1ccco1 269982a_100000185268_100011214892 [0,2,0,0,0,0|1,0,0]=3 15978 B14R1.810 CC(C)CCCN(C)Cc1cccs1 2230a_100000184426_100011214892 [0,2,0,0,0,0|1,1,0]=4 15979 B14R1.810 CC(C)CCCN(C)Cc1cccs1 269982a_100000184426_100011214892 [0,2,0,0,0,0|1,1,0]=4 15980 B14R1.810 CC(C)CCNC(=O)Cc1ccco1 11a_100000210545_100011217309 [0,2,0,0,0,0|1,0,1]=4 15981 B14R1.810 CC(C)CCNC(=O)Cc1ccco1 527a_100000210545_100011217309 [0,2,0,0,0,0|1,0,1]=4 15982 B14R1.810 CC(C)CCNC(C)Cc1ccco1 270004a_100000210545_100011216958 [0,2,0,0,0,0|1,0,0]=3 15983 B14R1.810 CC(C)CCNC(C)Cc1cccs1 2230a_100000751415_100000210312 [0,2,0,0,0,0|1,1,0]=4 15984 B14R1.810 CC(C)CCNC(C)Cc1cccs1 269862a_100000751415_100000185833 [0,2,0,0,0,0|1,1,0]=4 15985 B14R1.810 CC(C)CCOC(C)Cc1ccco1 34a_100011803939_100000210312 [0,2,0,0,0,0|1,0,0]=3 15986 B14R1.810 CC(C)CCOC(C)Cc1ccco1 7a_100011803939_100000210626 [0,2,0,0,0,0|1,0,0]=3 15987 B14R1.810 CC(C)OCCC(=O)Cc1ccco1 1458a_100011217309_100000211751 [0,2,0,0,0,0|1,0,1]=4 15988 B14R1.810 CC(C)OCCN(C)Cc1ccco1 2230a_100000185268_100000211751 [0,2,0,0,0,0|2,0,0]=4 15989 B14R1.810 CC(C)OCCN(C)Cc1ccco1 269982a_100000185268_100000211751 [0,2,0,0,0,0|2,0,0]=4 15990 B14R1.810 CC(C)OCOC(C)Cc1ccco1 34a_100011803939_100000709892 [0,2,0,0,0,0|2,0,0]=4 15991 B14R1.810 CC(C)SCCC(=O)Cc1ccco1 1458a_100011217309_100000730970 [0,2,0,0,0,0|1,0,1]=4 15992 B14R1.810 CC(C)SCCN(C)Cc1ccco1 2230a_100000185268_100000730970 [0,2,0,0,0,0|2,0,0]=4 15993 B14R1.810 CC(C)SCCN(C)Cc1ccco1 269982a_100000185268_100000730970 [0,2,0,0,0,0|2,0,0]=4 15994 B14R1.810 CC(Cc1ccco1)NCCN(C)C 270004a_100000210585_100011216958 [0,2,0,0,0,0|2,0,0]=4 15995 B14R1.810 CC(Cc1ccco1)OCCN(C)C 7a_100011803939_100000755713 [0,2,0,0,0,0|2,0,0]=4 15996 B14R1.810 CC(O)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_200000718107 [0,2,0,0,0,0|1,0,1]=4 15997 B14R1.810 CC(O)CCCC(=O)Cc1ccco1 1458a_100011217309_200000718107 [0,2,0,0,0,0|0,0,1]=3 15998 B14R1.810 CC(O)CCCC(=O)Cc1cccs1 1458a_100000210189_200000718107 [0,2,0,0,0,0|0,1,1]=4 15999 B14R1.810 CC(O)CCCN(C)Cc1ccco1 2230a_100000185268_200000718107 [0,2,0,0,0,0|1,0,0]=3 16000 B14R1.810 CC(O)CCCN(C)Cc1ccco1 269982a_100000185268_200000718107 [0,2,0,0,0,0|1,0,0]=3 16001 B14R1.810 CC(O)CCCN(C)Cc1cccs1 2230a_100000184426_200000718107 [0,2,0,0,0,0|1,1,0]=4 16002 B14R1.810 CC(O)CCCN(C)Cc1cccs1 269982a_100000184426_200000718107 [0,2,0,0,0,0|1,1,0]=4 16003 B14R1.810 CC(O)CCNC(=O)Cc1ccco1 527a_200000755665_100011217309 [0,2,0,0,0,0|1,0,1]=4 16004 B14R1.810 CC(O)CCNC(C)Cc1ccco1 270004a_200000755665_100011216958 [0,2,0,0,0,0|1,0,0]=3 16005 B14R1.810 CC(O)CCNC(C)Cc1cccs1 2230a_100000751415_100012276601 [0,2,0,0,0,0|1,1,0]=4 16006 B14R1.810 CC(O)CCOC(C)Cc1ccco1 34a_100011803939_100012276601 [0,2,0,0,0,0|1,0,0]=3 16007 B14R1.810 CC(O)CCOC(C)Cc1ccco1 7a_100011803939_100012276601 [0,2,0,0,0,0|1,0,0]=3 16008 B14R1.810 CN(C)CCCC(=O)Cc1ccco1 1458a_100011217309_100000695564 [0,2,0,0,0,0|1,0,1]=4 16009 B14R1.810 CN(C)CCCN(C)Cc1ccco1 269982a_100000185268_100000757444 [0,2,0,0,0,0|2,0,0]=4 16010 B14R1.810 CN(C)CCCN(C)Cc1ccco1 270004a_100000225831_100000186105 [0,2,0,0,0,0|2,0,0]=4 16011 B14R1.1047 CCCCCC(C)Sc1sccc1Br 62a_100012361411_200011218191 [0,2,0,0,0,0|1,1,0]=4 16012 B14R1.1047 CCCCCC(C)Sc1sccc1Br 62a_200011218191_100012361411 [0,2,0,0,0,0|1,1,0]=4 16013 B14R1.1047 CCCCCC(C)Sc1sccc1C 62a_100010247149_200011218191 [0,2,0,0,0,0|1,1,0]=4 16014 B14R1.1047 CCCCCC(C)Sc1sccc1C 62a_200011218191_100010247149 [0,2,0,0,0,0|1,1,0]=4 16015 B14R1.1047 CCCCCN(C)Cc1cccn1C 2230a_100000188278_100000210326 [0,2,0,0,0,0|2,0,0]=4 16016 B14R1.1047 CCCCCN(C)Cc1cccn1C 269982a_100000188278_100000210215 [0,2,0,0,0,0|2,0,0]=4 16017 B14R1.1047 CCCCCN(C)Cc1cccn1C 270004a_100000223495_100000211633 [0,2,0,0,0,0|2,0,0]=4 16018 B14R1.1047 CCCCCN(C)Cc1occc1Br 270004a_100000223495_100000756499 [0,2,0,0,0,0|1,0,0]=3 16019 B14R1.1047 CCCCCN(C)Cc1occc1C 2230a_100000734364_100000210326 [0,2,0,0,0,0|1,0,0]=3 16020 B14R1.1047 CCCCCN(C)Cc1occc1C 269982a_100000734364_100000210215 [0,2,0,0,0,0|1,0,0]=3 16021 B14R1.1047 CCCCCN(C)Cc1occc1C 270004a_100000223495_100000763527 [0,2,0,0,0,0|1,0,0]=3 16022 B14R1.1047 CCCCCN(C)Cc1sccc1Br 2230a_100000767120_100000210326 [0,2,0,0,0,0|1,1,0]=4 16023 B14R1.1047 CCCCCN(C)Cc1sccc1Br 269982a_100000767120_100000210215 [0,2,0,0,0,0|1,1,0]=4 16024 B14R1.1047 CCCCCN(C)Cc1sccc1Br 270004a_100000223495_100000766043 [0,2,0,0,0,0|1,1,0]=4 16025 B14R1.1047 CCCCCN(C)Cc1sccc1C 2230a_100000695154_100000210326 [0,2,0,0,0,0|1,1,0]=4 16026 B14R1.1047 CCCCCN(C)Cc1sccc1C 269982a_100000695154_100000210215 [0,2,0,0,0,0|1,1,0]=4 16027 B14R1.1047 CCCCCN(C)Cc1sccc1C 270004a_100000223495_100000210881 [0,2,0,0,0,0|1,1,0]=4 16028 B14R1.1047 CCCCCN(C)Cc1sccc1Cl 270004a_100000223495_100000722334 [0,2,0,0,0,0|1,1,0]=4 16029 B14R1.1047 CCOCCN(C)Cc1occc1C 2230a_100000734364_100011215890 [0,2,0,0,0,0|2,0,0]=4 16030 B14R1.1047 CCOCCN(C)Cc1occc1C 269982a_100000734364_100011215890 [0,2,0,0,0,0|2,0,0]=4 16031 B14R1.1047 CCSCCN(C)Cc1occc1C 2230a_100000734364_100000757381 [0,2,0,0,0,0|2,0,0]=4 16032 B14R1.1047 CCSCCN(C)Cc1occc1C 269982a_100000734364_100000757381 [0,2,0,0,0,0|2,0,0]=4 16033 B14R1.1047 CN(CCCCO)Cc1occc1Br 270004a_100000717598_100000756499 [0,2,0,0,0,0|2,0,0]=4 16034 B14R1.1047 COCCCN(C)Cc1occc1Br 270004a_100000224831_100000756499 [0,2,0,0,0,0|2,0,0]=4 16035 B14R1.1047 COCCCN(C)Cc1occc1C 2230a_100000734364_100000740836 [0,2,0,0,0,0|2,0,0]=4 16036 B14R1.1047 COCCCN(C)Cc1occc1C 269982a_100000734364_100000740836 [0,2,0,0,0,0|2,0,0]=4 16037 B14R1.1047 COCCCN(C)Cc1occc1C 270004a_100000224831_100000763527 [0,2,0,0,0,0|2,0,0]=4 16038 B14R1.1047 Cc1ccoc1CN(C)CCCCF 2230a_100000734364_100000729493 [0,2,0,0,0,0|2,0,0]=4 16039 B14R1.1047 Cc1ccoc1CN(C)CCCCF 269982a_100000734364_100000729493 [0,2,0,0,0,0|2,0,0]=4 16040 B14R1.1047 Cc1ccoc1CN(C)CCCCO 2230a_100000734364_100000210776 [0,2,0,0,0,0|2,0,0]=4 16041 B14R1.1047 Cc1ccoc1CN(C)CCCCO 269982a_100000734364_100000210776 [0,2,0,0,0,0|2,0,0]=4 16042 B14R1.1047 Cc1ccoc1CN(C)CCCCO 270004a_100000717598_100000763527 [0,2,0,0,0,0|2,0,0]=4 16043 B14R1.168 CC(=O)CCCOCc1occc1C 34a_100011273948_100000685027 [0,2,0,0,0,0|1,0,1]=4 16044 B14R1.168 CC(=O)CCCOCc1occc1C 7a_100011273948_100011215641 [0,2,0,0,0,0|1,0,1]=4 16045 B14R1.168 CC(C)CCCCSc1sccc1Br 62a_100011216152_100012361411 [0,2,0,0,0,0|1,1,0]=4 16046 B14R1.168 CC(C)CCCCSc1sccc1Br 62a_100012361411_100011216152 [0,2,0,0,0,0|1,1,0]=4 16047 B14R1.168 CC(C)CCCNCc1cccn1C 270004a_200000737386_100000211633 [0,2,0,0,0,0|2,0,0]=4 16048 B14R1.168 CC(C)CCCNCc1cccn1C 34a_100011219357_100011214892 [0,2,0,0,0,0|2,0,0]=4 16049 B14R1.168 CC(C)CCCNCc1occc1Br 270004a_200000737386_100000756499 [0,2,0,0,0,0|1,0,0]=3 16050 B14R1.168 CC(C)CCCNCc1sccc1Br 207a_200000737386_100000766043 [0,2,0,0,0,0|1,1,0]=4 16051 B14R1.168 CC(C)CCCNCc1sccc1Br 270004a_200000737386_100000766043 [0,2,0,0,0,0|1,1,0]=4 16052 B14R1.168 CC(C)CCCNCc1sccc1Cl 207a_200000737386_100000722334 [0,2,0,0,0,0|1,1,0]=4 16053 B14R1.168 CC(C)CCCNCc1sccc1Cl 2230a_100011934584_100011214892 [0,2,0,0,0,0|1,1,0]=4 16054 B14R1.168 CC(C)CCCNCc1sccc1Cl 270004a_200000737386_100000722334 [0,2,0,0,0,0|1,1,0]=4 16055 B14R1.168 CC(C)CCCNCc1sccc1Cl 34a_100011934584_100011214892 [0,2,0,0,0,0|1,1,0]=4 16056 B14R1.168 CC(C)CCCOCc1sccc1Br 34a_100000702026_100011214892 [0,2,0,0,0,0|1,1,0]=4 16057 B14R1.168 CC(C)CCCOCc1sccc1Cl 34a_100000722387_100011214892 [0,2,0,0,0,0|1,1,0]=4 16058 B14R1.168 CC(C)CCCOCc1sccc1Cl 7a_100000722387_100011214892 [0,2,0,0,0,0|1,1,0]=4 16059 B14R1.168 CC(C)CCNCCc1cccn1C 2230a_100011251756_100000210312 [0,2,0,0,0,0|2,0,0]=4 16060 B14R1.168 CC(C)CCNCCc1cccn1C 269862a_100011251756_100000185833 [0,2,0,0,0,0|2,0,0]=4 16061 B14R1.168 CC(C)CCNCCc1cccn1C 34a_100011251756_100000210312 [0,2,0,0,0,0|2,0,0]=4 16062 B14R1.168 CC(C)OCCNCc1occc1Br 270004a_100000701111_100000756499 [0,2,0,0,0,0|2,0,0]=4 16063 B14R1.168 CC(C)SCCNCc1occc1Br 270004a_100000731138_100000756499 [0,2,0,0,0,0|2,0,0]=4 16064 B14R1.168 CC(O)CCCNCc1cccn1C 34a_100011219357_200000718107 [0,2,0,0,0,0|2,0,0]=4 16065 B14R1.168 CC(O)CCCNCc1sccc1Cl 2230a_100011934584_200000718107 [0,2,0,0,0,0|1,1,0]=4 16066 B14R1.168 CC(O)CCCNCc1sccc1Cl 34a_100011934584_200000718107 [0,2,0,0,0,0|1,1,0]=4 16067 B14R1.168 CC(O)CCCOCc1sccc1Br 34a_100000702026_200000718107 [0,2,0,0,0,0|1,1,0]=4 16068 B14R1.168 CC(O)CCCOCc1sccc1Cl 34a_100000722387_200000718107 [0,2,0,0,0,0|1,1,0]=4 16069 B14R1.168 CC(O)CCCOCc1sccc1Cl 7a_100000722387_200000718107 [0,2,0,0,0,0|1,1,0]=4 16070 B14R1.168 CC(O)CCNCCc1cccn1C 2230a_100011251756_100012276601 [0,2,0,0,0,0|2,0,0]=4 16071 B14R1.168 CC(O)CCNCCc1cccn1C 34a_100011251756_100012276601 [0,2,0,0,0,0|2,0,0]=4 16072 B14R1.168 CN(C)CCCNCc1occc1Br 270004a_102531767803_100000756499 [0,2,0,0,0,0|2,0,0]=4 16073 B14R1.168 CS(=O)CCCNCc1occc1Br 270004a_200000753449_100000756499 [0,2,0,0,0,0|2,0,0]=4 16074 B14R1.168 Cc1ccoc1CNCCCC(C)C 207a_200000737386_100000763527 [0,2,0,0,0,0|1,0,0]=3 16075 B14R1.168 Cc1ccoc1CNCCCC(C)C 270004a_200000737386_100000763527 [0,2,0,0,0,0|1,0,0]=3 16076 B14R1.168 Cc1ccoc1CNCCCN(C)C 207a_102531767803_100000763527 [0,2,0,0,0,0|2,0,0]=4 16077 B14R1.168 Cc1ccoc1CNCCCN(C)C 270004a_102531767803_100000763527 [0,2,0,0,0,0|2,0,0]=4 16078 B14R1.168 Cc1ccoc1CNCCCS(=O)C 207a_200000753449_100000763527 [0,2,0,0,0,0|2,0,0]=4 16079 B14R1.168 Cc1ccoc1CNCCCS(=O)C 270004a_200000753449_100000763527 [0,2,0,0,0,0|2,0,0]=4 16080 B14R1.168 Cc1ccoc1CNCCOC(C)C 207a_100000701111_100000763527 [0,2,0,0,0,0|2,0,0]=4 16081 B14R1.168 Cc1ccoc1CNCCOC(C)C 270004a_100000701111_100000763527 [0,2,0,0,0,0|2,0,0]=4 16082 B14R1.168 Cc1ccoc1CNCCSC(C)C 207a_100000731138_100000763527 [0,2,0,0,0,0|2,0,0]=4 16083 B14R1.168 Cc1ccoc1CNCCSC(C)C 270004a_100000731138_100000763527 [0,2,0,0,0,0|2,0,0]=4 16084 B14R1.168 Cc1ccoc1COCCCC(C)C 34a_100011273948_100011214892 [0,2,0,0,0,0|1,0,0]=3 16085 B14R1.168 Cc1ccoc1COCCCC(C)C 7a_100011273948_100011214892 [0,2,0,0,0,0|1,0,0]=3 16086 B14R1.168 Cc1ccoc1COCCCC(C)O 34a_100011273948_200000718107 [0,2,0,0,0,0|1,0,0]=3 16087 B14R1.168 Cc1ccoc1COCCCC(C)O 7a_100011273948_200000718107 [0,2,0,0,0,0|1,0,0]=3 16088 B14R1.168 Cc1ccoc1COCCCN(C)C 7a_100011273948_100000757444 [0,2,0,0,0,0|2,0,0]=4 16089 B14R1.168 Cc1ccoc1COCCOC(C)C 34a_100011273948_100000211751 [0,2,0,0,0,0|2,0,0]=4 16090 B14R1.168 Cc1ccoc1COCCOC(C)C 7a_100011273948_100000211751 [0,2,0,0,0,0|2,0,0]=4 16091 B14R1.168 Cc1ccoc1COCCSC(C)C 34a_100011273948_100000730970 [0,2,0,0,0,0|2,0,0]=4 16092 B14R1.168 Cc1ccoc1COCCSC(C)C 7a_100011273948_100000730970 [0,2,0,0,0,0|2,0,0]=4 16093 B14R1.168 Cc1ccsc1CNCCCC(C)C 207a_200000737386_100000210881 [0,2,0,0,0,0|1,1,0]=4 16094 B14R1.168 Cc1ccsc1CNCCCC(C)C 2230a_100000238519_100011214892 [0,2,0,0,0,0|1,1,0]=4 16095 B14R1.168 Cc1ccsc1CNCCCC(C)C 270004a_200000737386_100000210881 [0,2,0,0,0,0|1,1,0]=4 16096 B14R1.168 Cc1ccsc1CNCCCC(C)C 34a_100000238519_100011214892 [0,2,0,0,0,0|1,1,0]=4 16097 B14R1.168 Cc1ccsc1CNCCCC(C)O 2230a_100000238519_200000718107 [0,2,0,0,0,0|1,1,0]=4 16098 B14R1.168 Cc1ccsc1CNCCCC(C)O 34a_100000238519_200000718107 [0,2,0,0,0,0|1,1,0]=4 16099 B14R1.168 Cc1ccsc1COCCCC(C)C 34a_100000238368_100011214892 [0,2,0,0,0,0|1,1,0]=4 16100 B14R1.168 Cc1ccsc1COCCCC(C)C 7a_100000238368_100011214892 [0,2,0,0,0,0|1,1,0]=4 16101 B14R1.168 Cc1ccsc1COCCCC(C)O 34a_100000238368_200000718107 [0,2,0,0,0,0|1,1,0]=4 16102 B14R1.168 Cc1ccsc1COCCCC(C)O 7a_100000238368_200000718107 [0,2,0,0,0,0|1,1,0]=4 16103 B14R1.168 Cc1ccsc1SCCCCC(C)C 62a_100010247149_100011216152 [0,2,0,0,0,0|1,1,0]=4 16104 B14R1.168 Cc1ccsc1SCCCCC(C)C 62a_100011216152_100010247149 [0,2,0,0,0,0|1,1,0]=4 16105 B14R1.168 Cc1cnoc1COCCCC(C)C 34a_200011065769_100011214892 [0,2,0,0,0,0|2,0,0]=4 16106 B14R1.168 Cc1cnoc1COCCCC(C)O 34a_200011065769_200000718107 [0,2,0,0,0,0|2,0,0]=4 16107 B14R1.168 Cc1ncoc1COCCCC(C)C 34a_100000717716_100011214892 [0,2,0,0,0,0|2,0,0]=4 16108 B14R1.168 Cc1ncoc1COCCCC(C)C 7a_100000717716_100011214892 [0,2,0,0,0,0|2,0,0]=4 16109 B14R1.168 Cc1ncoc1COCCCC(C)O 34a_100000717716_200000718107 [0,2,0,0,0,0|2,0,0]=4 16110 B14R1.168 Cc1ncoc1COCCCC(C)O 7a_100000717716_200000718107 [0,2,0,0,0,0|2,0,0]=4 16111 B14R1.3218 CC(C)C(=O)CCCCc1cccs1 1458a_100011216592_100000210206 [0,2,0,0,0,0|0,1,1]=4 16112 B14R1.3218 CC(C)C(=O)CNCCc1ccco1 2230a_100000694680_100000753385 [0,2,0,0,0,0|1,0,1]=4 16113 B14R1.3218 CC(C)C(=O)CNCCc1ccco1 34a_100000694680_100000753385 [0,2,0,0,0,0|1,0,1]=4 16114 B14R1.3218 CC(C)C(C)NCCCc1cccs1 2230a_100000211541_100010992444 [0,2,0,0,0,0|1,1,0]=4 16115 B14R1.3218 CC(C)C(C)OCCCc1cccs1 7a_100000748068_100010992444 [0,2,0,0,0,0|1,1,0]=4 16116 B14R1.3218 CC(C)C(N)CCOCc1ncco1 34a_100161115045_103436540062 [0,2,0,0,0,0|2,0,0]=4 16117 B14R1.3218 CC(C)C(O)CNCCc1cccs1 2230a_100000759067_100000748579 [0,2,0,0,0,0|1,1,0]=4 16118 B14R1.3218 CC(C)C(O)CNCCc1cccs1 34a_100000759067_100000748579 [0,2,0,0,0,0|1,1,0]=4 16119 B14R1.3218 CC(C)N(C)CCNCc1ccco1 207a_100000749581_100000186105 [0,2,0,0,0,0|2,0,0]=4 16120 B14R1.3218 CC(C)N(C)CCNCc1ccco1 270004a_100000749581_100000186105 [0,2,0,0,0,0|2,0,0]=4 16121 B14R1.3218 CC(C)[C@@H](N)COCCc1cccs1 34a_100011830312_100000748579 [0,2,0,0,0,0|1,1,0]=4 16122 B14R1.3333 CC(C)(C)CCNCCc1ccco1 2230a_100000694680_100000755188 [0,2,0,0,0,0|1,0,0]=3 16123 B14R1.3333 CC(C)(C)CCNCCc1ccco1 34a_100000694680_100000755188 [0,2,0,0,0,0|1,0,0]=3 16124 B14R1.3333 CC(C)(C)CCNCCc1cccs1 2230a_100000203755_100000755188 [0,2,0,0,0,0|1,1,0]=4 16125 B14R1.3333 CC(C)(C)CCNCCc1cccs1 2230a_100000738805_100000748579 [0,2,0,0,0,0|1,1,0]=4 16126 B14R1.3333 CC(C)(C)CCNCCc1cccs1 34a_100000203755_100000755188 [0,2,0,0,0,0|1,1,0]=4 16127 B14R1.3333 CC(C)(C)CCOCCc1cccs1 34a_100011216825_100000755188 [0,2,0,0,0,0|1,1,0]=4 16128 B14R1.3333 CC(C)(C)CCOCCc1cccs1 7a_100000765024_100000748579 [0,2,0,0,0,0|1,1,0]=4 16129 B14R1.3333 CC(C)(C)CCOCCc1cccs1 7a_100011216825_100000755188 [0,2,0,0,0,0|1,1,0]=4 16130 B14R1.3333 CC(C)(C)CCSCCc1cccs1 62a_100000748579_100000755188 [0,2,0,0,0,0|1,1,0]=4 16131 B14R1.3333 CC(C)(C)CCSCCc1cccs1 62a_100000755188_100000748579 [0,2,0,0,0,0|1,1,0]=4 16132 B14R1.3333 CC(C)(C)CNCCCc1cccs1 2230a_100000743828_100010992444 [0,2,0,0,0,0|1,1,0]=4 16133 B14R1.3333 CC(C)(C)COCCCc1cccs1 34a_100011713143_100011219605 [0,2,0,0,0,0|1,1,0]=4 16134 B14R1.3333 CC(C)(C)CSCCCc1cccs1 62a_100010992444_100011219605 [0,2,0,0,0,0|1,1,0]=4 16135 B14R1.3333 CC(C)(C)CSCCCc1cccs1 62a_100011219605_100010992444 [0,2,0,0,0,0|1,1,0]=4 16136 B14R1.3333 CC(C)(C)OCCNCc1ccco1 207a_100000747557_100000186105 [0,2,0,0,0,0|2,0,0]=4 16137 B14R1.3333 CC(C)(C)OCCNCc1ccco1 270004a_100000747557_100000186105 [0,2,0,0,0,0|2,0,0]=4 16138 B14R1.3333 CC(C)(C)SCCNCc1ccco1 207a_100000689375_100000186105 [0,2,0,0,0,0|2,0,0]=4 16139 B14R1.3333 CC(C)(C)SCCNCc1ccco1 270004a_100000689375_100000186105 [0,2,0,0,0,0|2,0,0]=4 16140 B14R1.3333 CC(C)(F)CCNCCc1cccs1 2230a_100016253952_100000748579 [0,2,0,0,0,0|1,1,0]=4 16141 B14R1.3333 CC(C)(F)CNCCCc1cccs1 2230a_100020643315_100010992444 [0,2,0,0,0,0|1,1,0]=4 16142 B14R1.3333 CC(C)(F)COCCCc1cccs1 34a_100000716592_100010992444 [0,2,0,0,0,0|1,1,0]=4 16143 B14R1.3333 CC(C)(F)COCCCc1cccs1 34a_100011713143_100011997219 [0,2,0,0,0,0|1,1,0]=4 16144 B14R1.3333 CC(C)(F)CSCCCc1cccs1 62a_100010992444_100011997219 [0,2,0,0,0,0|1,1,0]=4 16145 B14R1.3333 CC(C)(F)CSCCCc1cccs1 62a_100011997219_100010992444 [0,2,0,0,0,0|1,1,0]=4 16146 B14R1.3333 CC(C)(O)CCCNCc1ccco1 2230a_100000185738_100009888830 [0,2,0,0,0,0|1,0,0]=3 16147 B14R1.3333 CC(C)(O)CCCNCc1ccco1 34a_100000185738_100009888830 [0,2,0,0,0,0|1,0,0]=3 16148 B14R1.3333 CC(C)(O)CCCNCc1cccs1 2230a_100000211653_100009888830 [0,2,0,0,0,0|1,1,0]=4 16149 B14R1.3333 CC(C)(O)CCCNCc1ncco1 2230a_100016994969_100009888830 [0,2,0,0,0,0|2,0,0]=4 16150 B14R1.3333 CC(C)(O)CCCOCc1ccco1 34a_100000210059_100009888830 [0,2,0,0,0,0|1,0,0]=3 16151 B14R1.3333 CC(C)(O)CCCOCc1cccs1 34a_100000211240_100009888830 [0,2,0,0,0,0|1,1,0]=4 16152 B14R1.3333 CC(C)(O)CCCOCc1ccno1 34a_100000740478_100009888830 [0,2,0,0,0,0|2,0,0]=4 16153 B14R1.3333 CC(C)(O)CCCOCc1ncco1 34a_100000062594_100009888830 [0,2,0,0,0,0|2,0,0]=4 16154 B14R1.3333 CC(C)(O)CCCSCc1ncco1 62a_100009888830_103436540062 [0,2,0,0,0,0|2,0,0]=4 16155 B14R1.3333 CC(C)(O)CCCSCc1ncco1 62a_103436540062_100009888830 [0,2,0,0,0,0|2,0,0]=4 16156 B14R1.3333 CC(C)(O)CCNCCc1ccco1 2230a_100000694680_100000702414 [0,2,0,0,0,0|1,0,0]=3 16157 B14R1.3333 CC(C)(O)CCNCCc1ccco1 34a_100000694680_100000702414 [0,2,0,0,0,0|1,0,0]=3 16158 B14R1.3333 CC(C)(O)CCNCCc1cccs1 2230a_100000203755_100000702414 [0,2,0,0,0,0|1,1,0]=4 16159 B14R1.3333 CC(C)(O)CCNCCc1cccs1 34a_100000203755_100000702414 [0,2,0,0,0,0|1,1,0]=4 16160 B14R1.3333 CC(C)(O)CCOCCc1cccs1 34a_100011216825_100000702414 [0,2,0,0,0,0|1,1,0]=4 16161 B14R1.3333 CC(C)(O)CCOCCc1cccs1 7a_100011216825_100000702414 [0,2,0,0,0,0|1,1,0]=4 16162 B14R1.3333 CC(C)(O)CCSCCc1cccs1 62a_100000702414_100000748579 [0,2,0,0,0,0|1,1,0]=4 16163 B14R1.3333 CC(C)(O)CCSCCc1cccs1 62a_100000748579_100000702414 [0,2,0,0,0,0|1,1,0]=4 16164 B14R1.3333 CC(C)(O)CNCCCc1cccs1 2230a_100000751335_100010992444 [0,2,0,0,0,0|1,1,0]=4 16165 B14R1.3333 CC(C)(O)COCCCc1cccs1 34a_100011713143_100000764493 [0,2,0,0,0,0|1,1,0]=4 16166 B14R1.3333 CC(C)(O)COCCCc1cccs1 7a_100011713143_100000764493 [0,2,0,0,0,0|1,1,0]=4 16167 B14R1.3333 CC(C)(O)CSCCCc1cccs1 62a_100000764493_100010992444 [0,2,0,0,0,0|1,1,0]=4 16168 B14R1.3333 CC(C)(O)CSCCCc1cccs1 62a_100010992444_100000764493 [0,2,0,0,0,0|1,1,0]=4 16169 B14R1.3333 CC(F)(F)COCCCc1cccs1 34a_100000068830_100010992444 [0,2,0,0,0,0|1,1,0]=4 16170 B14R1.3333 CS(=O)(=O)CCCNCc1ccco1 207a_100000742409_100000186105 [0,2,0,0,0,0|2,0,0]=4 16171 B14R1.3333 CS(=O)(=O)CCCNCc1ccco1 2230a_100000185738_100000754308 [0,2,0,0,0,0|2,0,0]=4 16172 B14R1.3333 CS(=O)(=O)CCCNCc1ccco1 270004a_100000742409_100000186105 [0,2,0,0,0,0|2,0,0]=4 16173 B14R1.3333 CS(=O)(=O)CCCNCc1ccco1 34a_100000185738_100000754308 [0,2,0,0,0,0|2,0,0]=4 16174 B14R1.3333 CS(=O)(=O)CCCOCc1ccco1 34a_100000210059_100000754308 [0,2,0,0,0,0|2,0,0]=4 16175 B14R1.3333 CS(=O)(=O)CCNCCc1ccco1 2230a_100000694680_100000731031 [0,2,0,0,0,0|2,0,0]=4 16176 B14R1.3333 CS(=O)(=O)CCNCCc1ccco1 34a_100000694680_100000731031 [0,2,0,0,0,0|2,0,0]=4 16177 B14R1.3333 C[N+](C)(C)CCCNCc1ccco1 2230a_100000185738_100016990835 [0,2,0,0,0,0|2,0,0]=4 16178 B14R1.3333 C[N+](C)(C)CCCNCc1ccco1 34a_100000185738_100016990835 [0,2,0,0,0,0|2,0,0]=4 16179 B14R1.3333 C[N+](C)(C)CCCOCc1ccco1 34a_100000210059_100016990835 [0,2,0,0,0,0|2,0,0]=4 16180 B14R1.3333 C[N+](C)(C)CCNCCc1ccco1 34a_100000694680_100000085578 [0,2,0,0,0,0|2,0,0]=4 16181 B14R1.3333 C[Si](C)(C)CCCNCc1ccco1 207a_100000725946_100000186105 [0,2,0,0,0,0|1,1,0]=4 16182 B14R1.3333 C[Si](C)(C)CCCNCc1ccco1 2230a_100000185738_100011219597 [0,2,0,0,0,0|1,1,0]=4 16183 B14R1.3333 C[Si](C)(C)CCCNCc1ccco1 34a_100000185738_100011219597 [0,2,0,0,0,0|1,1,0]=4 16184 B14R1.3333 C[Si](C)(C)CCCOCc1ccco1 34a_100000210059_100011219597 [0,2,0,0,0,0|1,1,0]=4 16185 B14R1.3333 C[Si](C)(C)CCNCCc1ccco1 2230a_100000694680_200000733723 [0,2,0,0,0,0|1,1,0]=4 16186 B14R1.3333 C[Si](C)(C)CCNCCc1ccco1 34a_100000694680_200000733723 [0,2,0,0,0,0|1,1,0]=4 16187 B14R1.3333 FC(F)(F)CCCCSc1ccco1 62a_100000692467_100009814098 [0,2,0,0,0,0|2,0,0]=4 16188 B14R1.3333 FC(F)(F)CCCCSc1ccco1 62a_100009814098_100000692467 [0,2,0,0,0,0|2,0,0]=4 16189 B14R1.3333 FC(F)(F)CCCNCc1ccco1 2230a_100000185738_100011215983 [0,2,0,0,0,0|2,0,0]=4 16190 B14R1.3333 FC(F)(F)CCCNCc1ccco1 270004a_100000727188_100000186105 [0,2,0,0,0,0|2,0,0]=4 16191 B14R1.3333 FC(F)(F)CCCNCc1ccco1 34a_100000185738_100011215983 [0,2,0,0,0,0|2,0,0]=4 16192 B14R1.3333 FC(F)(F)CCCOCc1ccco1 34a_100000210059_100011215983 [0,2,0,0,0,0|2,0,0]=4 16193 B14R1.3333 FC(F)(F)CCNCCc1ccco1 34a_100000694680_100011219754 [0,2,0,0,0,0|2,0,0]=4 16194 B14R1.6454 CC(C)CC(=O)CCCc1cccs1 1458a_100000184482_100000210624 [0,2,0,0,0,0|0,1,1]=4 16195 B14R1.6454 CC(C)CC(=O)CCCc1cccs1 1458a_100000210554_100010992444 [0,2,0,0,0,0|0,1,1]=4 16196 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 11a_100000694680_100000210554 [0,2,0,0,0,0|1,0,1]=4 16197 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 1626a_100000694680_100000210554 [0,2,0,0,0,0|1,0,1]=4 16198 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 240690a_100000694680_100000210554 [0,2,0,0,0,0|1,0,1]=4 16199 B14R1.6454 CC(C)CC(=O)NCCc1ccco1 527a_100000694680_100000210554 [0,2,0,0,0,0|1,0,1]=4 16200 B14R1.6454 CC(C)CC(C)NCCc1ccco1 2230a_100000694680_100000731052 [0,2,0,0,0,0|1,0,0]=3 16201 B14R1.6454 CC(C)CC(C)NCCc1ccco1 34a_100000694680_100000731052 [0,2,0,0,0,0|1,0,0]=3 16202 B14R1.6454 CC(C)CC(C)NCCc1cccs1 2230a_100000203755_100000731052 [0,2,0,0,0,0|1,1,0]=4 16203 B14R1.6454 CC(C)CC(C)NCCc1cccs1 2230a_100000692259_100000748579 [0,2,0,0,0,0|1,1,0]=4 16204 B14R1.6454 CC(C)CC(C)NCCc1cccs1 34a_100000203755_100000731052 [0,2,0,0,0,0|1,1,0]=4 16205 B14R1.6454 CC(C)CC(C)OCCc1cccs1 34a_100000211805_100000748579 [0,2,0,0,0,0|1,1,0]=4 16206 B14R1.6454 CC(C)CC(C)OCCc1cccs1 34a_100011216825_100000731052 [0,2,0,0,0,0|1,1,0]=4 16207 B14R1.6454 CC(C)CC(C)OCCc1cccs1 7a_100000211805_100000748579 [0,2,0,0,0,0|1,1,0]=4 16208 B14R1.6454 CC(C)CC(C)OCCc1cccs1 7a_100011216825_100000731052 [0,2,0,0,0,0|1,1,0]=4 16209 B14R1.6454 CC(C)CC(C)SCCc1cccs1 62a_100000731052_100000748579 [0,2,0,0,0,0|1,1,0]=4 16210 B14R1.6454 CC(C)CC(C)SCCc1cccs1 62a_100000748579_100000731052 [0,2,0,0,0,0|1,1,0]=4 16211 B14R1.6454 CC(C)CN(C)CCCc1cccs1 2230a_100000747067_100010992444 [0,2,0,0,0,0|1,1,0]=4 16212 B14R1.6454 CC(C)CN(C)CCCc1cccs1 269982a_100000747067_100010992444 [0,2,0,0,0,0|1,1,0]=4 16213 B14R1.6454 CC(C)C[C@H](N)COCc1ncco1 34a_100011830311_103436540062 [0,2,0,0,0,0|2,0,0]=4 16214 B14R1.6454 CC(CNCc1ccco1)CN(C)C 2230a_100000185738_100015348159 [0,2,0,0,0,0|2,0,0]=4 16215 B14R1.6454 CC(O)CC(=O)CCCc1cccs1 1458a_100000184482_100011218427 [0,2,0,0,0,0|0,1,1]=4 16216 B14R1.6454 CC(O)CN(C)CCCc1cccs1 2230a_100000227577_100010992444 [0,2,0,0,0,0|1,1,0]=4 16217 B14R1.6454 CC(O)CN(C)CCCc1cccs1 269982a_100000227577_100010992444 [0,2,0,0,0,0|1,1,0]=4 16218 B14R1.6454 C[C@@H](O)CC(=O)CCCc1cccs1 1458a_100011933948_100010992444 [0,2,0,0,0,0|0,1,1]=4 16219 B14R1.6454 C[C@@H](O)CC(=O)NCCc1ccco1 240690a_100000694680_100011933948 [0,2,0,0,0,0|1,0,1]=4 16220 B14R1.948 CCCC(=O)COCc1occc1C 7a_100011273948_100000747444 [0,2,0,0,0,0|1,0,1]=4 16221 B14R1.948 CCCC(C)CNCc1cccn1C 34a_100011219357_100011216630 [0,2,0,0,0,0|2,0,0]=4 16222 B14R1.948 CCCC(C)CNCc1sccc1C 2230a_100000238519_100011216630 [0,2,0,0,0,0|1,1,0]=4 16223 B14R1.948 CCCC(C)CNCc1sccc1C 270004a_100000238519_100000243154 [0,2,0,0,0,0|1,1,0]=4 16224 B14R1.948 CCCC(C)CNCc1sccc1C 34a_100000238519_100011216630 [0,2,0,0,0,0|1,1,0]=4 16225 B14R1.948 CCCC(C)CNCc1sccc1Cl 2230a_100011934584_100011216630 [0,2,0,0,0,0|1,1,0]=4 16226 B14R1.948 CCCC(C)CNCc1sccc1Cl 270004a_100011934584_100000243154 [0,2,0,0,0,0|1,1,0]=4 16227 B14R1.948 CCCC(C)CNCc1sccc1Cl 34a_100011934584_100011216630 [0,2,0,0,0,0|1,1,0]=4 16228 B14R1.948 CCCC(C)COCc1occc1C 34a_100011273948_100011216630 [0,2,0,0,0,0|1,0,0]=3 16229 B14R1.948 CCCC(C)COCc1occc1C 7a_100011273948_100011216630 [0,2,0,0,0,0|1,0,0]=3 16230 B14R1.948 CCCC(C)COCc1ocnc1C 34a_100000717716_100011216630 [0,2,0,0,0,0|2,0,0]=4 16231 B14R1.948 CCCC(C)COCc1ocnc1C 7a_100000717716_100011216630 [0,2,0,0,0,0|2,0,0]=4 16232 B14R1.948 CCCC(C)COCc1oncc1C 34a_200011065769_100011216630 [0,2,0,0,0,0|2,0,0]=4 16233 B14R1.948 CCCC(C)COCc1sccc1Br 34a_100000702026_100011216630 [0,2,0,0,0,0|1,1,0]=4 16234 B14R1.948 CCCC(C)COCc1sccc1C 34a_100000238368_100011216630 [0,2,0,0,0,0|1,1,0]=4 16235 B14R1.948 CCCC(C)COCc1sccc1C 7a_100000238368_100011216630 [0,2,0,0,0,0|1,1,0]=4 16236 B14R1.948 CCCC(C)COCc1sccc1Cl 34a_100000722387_100011216630 [0,2,0,0,0,0|1,1,0]=4 16237 B14R1.948 CCCC(C)COCc1sccc1Cl 7a_100000722387_100011216630 [0,2,0,0,0,0|1,1,0]=4 16238 B14R1.948 CCCC(C)NCCc1cccn1C 2230a_100011251756_100000766640 [0,2,0,0,0,0|2,0,0]=4 16239 B14R1.948 CCCC(C)NCCc1cccn1C 34a_100011251756_100000766640 [0,2,0,0,0,0|2,0,0]=4 16240 B14R1.948 COCC(O)CNCc1occc1Br 270004a_100000756049_100000756499 [0,2,0,0,0,0|2,0,0]=4 16241 B14R1.948 COCC(O)CNCc1occc1C 207a_100000756049_100000763527 [0,2,0,0,0,0|2,0,0]=4 16242 B14R1.948 COCC(O)CNCc1occc1C 270004a_100000756049_100000763527 [0,2,0,0,0,0|2,0,0]=4 16243 B14R1.948 COCC(O)COCc1occc1C 34a_100011273948_100011215053 [0,2,0,0,0,0|2,0,0]=4 16244 B14R1.948 COCC(O)COCc1occc1C 7a_100011273948_100011215053 [0,2,0,0,0,0|2,0,0]=4 16245 B14R1.977 C#CC(CCC)OCCc1cccs1 34a_200011217317_100000748579 [0,2,0,0,0,0|1,1,0]=4 16246 B14R1.977 C#CC(CCC)OCCc1cccs1 7a_200011217317_100000748579 [0,2,0,0,0,0|1,1,0]=4 16247 B14R1.977 C=CC(CCC)OCCc1cccs1 34a_100011216692_100000748579 [0,2,0,0,0,0|1,1,0]=4 16248 B14R1.977 C=CC(CCC)OCCc1cccs1 7a_100011216692_100000748579 [0,2,0,0,0,0|1,1,0]=4 16249 B14R1.977 CCC(COC)NCCc1ccco1 270004a_100000694680_100000757811 [0,2,0,0,0,0|2,0,0]=4 16250 B14R1.977 CCCC(C#N)OCCc1cccs1 34a_100000686963_100000748579 [0,2,0,0,0,0|1,1,0]=4 16251 B14R1.977 CCCC(C#N)OCCc1cccs1 7a_100000686963_100000748579 [0,2,0,0,0,0|1,1,0]=4 16252 B14R1.977 CCCC(CC)NCCc1ccco1 270004a_100000694680_100000687865 [0,2,0,0,0,0|1,0,0]=3 16253 B14R1.977 CCCC(CC)NCCc1cccs1 2230a_100000747048_100000748579 [0,2,0,0,0,0|1,1,0]=4 16254 B14R1.977 CCCC(CC)NCCc1cccs1 270004a_100000203755_100000687865 [0,2,0,0,0,0|1,1,0]=4 16255 B14R1.977 CCCC(CC)OCCc1cccs1 34a_100000687864_100000748579 [0,2,0,0,0,0|1,1,0]=4 16256 B14R1.977 CCCC(CC)OCCc1cccs1 7a_100000687864_100000748579 [0,2,0,0,0,0|1,1,0]=4 16257 B14R1.977 CCCC(CC)OCCc1cccs1 7a_100011216825_100011219200 [0,2,0,0,0,0|1,1,0]=4 16258 B14R1.977 CCCC(CC)SCCc1cccs1 62a_100000748579_100011219200 [0,2,0,0,0,0|1,1,0]=4 16259 B14R1.977 CCCC(CC)SCCc1cccs1 62a_100011219200_100000748579 [0,2,0,0,0,0|1,1,0]=4 16260 B14R1.977 CCCN(CC)CCCc1cccs1 2230a_100000226822_100010992444 [0,2,0,0,0,0|1,1,0]=4 16261 B14R1.977 CCCN(CC)CCCc1cccs1 269982a_100000226822_100010992444 [0,2,0,0,0,0|1,1,0]=4 16262 B14R1.977 CCC[C@@H](CO)NCCc1cccs1 2230a_100000732646_100000748579 [0,2,0,0,0,0|1,1,0]=4 16263 B14R1.977 CCC[C@@H](CO)NCCc1cccs1 34a_100000732646_100000748579 [0,2,0,0,0,0|1,1,0]=4 16264 B14R1.977 CCOC(CC)CNCc1ccco1 207a_100015183923_100000186105 [0,2,0,0,0,0|2,0,0]=4 16265 B14R1.977 CCOC(CC)CNCc1ccco1 270004a_100015183923_100000186105 [0,2,0,0,0,0|2,0,0]=4 16266 B14R1.986 CCC(=O)C(C)NCCc1ccco1 2230a_100000694680_100000742827 [0,2,0,0,0,0|1,0,1]=4 16267 B14R1.986 CCC(C)C(=O)CCCc1cccs1 1458a_100000184482_100000758301 [0,2,0,0,0,0|0,1,1]=4 16268 B14R1.986 CCC(C)C(=O)CCCc1cccs1 1458a_100011192722_100010992444 [0,2,0,0,0,0|0,1,1]=4 16269 B14R1.986 CCC(C)C(=O)NCCc1ccco1 11a_100000694680_100011192722 [0,2,0,0,0,0|1,0,1]=4 16270 B14R1.986 CCC(C)C(=O)NCCc1ccco1 1626a_100000694680_100011192722 [0,2,0,0,0,0|1,0,1]=4 16271 B14R1.986 CCC(C)C(=O)NCCc1ccco1 240690a_100000694680_100011192722 [0,2,0,0,0,0|1,0,1]=4 16272 B14R1.986 CCC(C)C(=O)NCCc1ccco1 527a_100000694680_100011192722 [0,2,0,0,0,0|1,0,1]=4 16273 B14R1.986 CCC(C)C(C)NCCc1ccco1 269862a_100000694680_100000210599 [0,2,0,0,0,0|1,0,0]=3 16274 B14R1.986 CCC(C)C(C)NCCc1ccco1 270004a_100000694680_100000210599 [0,2,0,0,0,0|1,0,0]=3 16275 B14R1.986 CCC(C)C(C)NCCc1cccs1 269862a_100000203755_100000210599 [0,2,0,0,0,0|1,1,0]=4 16276 B14R1.986 CCC(C)C(C)NCCc1cccs1 270004a_100000203755_100000210599 [0,2,0,0,0,0|1,1,0]=4 16277 B14R1.986 CCC(C)C(C)OCCc1cccs1 7a_100011215189_100000748579 [0,2,0,0,0,0|1,1,0]=4 16278 B14R1.986 CCC(C)N(C)CCCc1cccs1 2230a_100000741768_100010992444 [0,2,0,0,0,0|1,1,0]=4 16279 B14R1.986 CCC(C)N(C)CCCc1cccs1 269982a_100000741768_100010992444 [0,2,0,0,0,0|1,1,0]=4 16280 B14R1.986 CCC(O)C(=O)CCCc1cccs1 1458a_100011196387_100010992444 [0,2,0,0,0,0|0,1,1]=4 16281 B14R1.986 CCC(O)C(=O)NCCc1ccco1 240690a_100000694680_100011196387 [0,2,0,0,0,0|1,0,1]=4 16282 B14R1.6715 CCCC(C)(C)COCc1ncco1 7a_100011995695_103436540062 [0,2,0,0,0,0|2,0,0]=4 16283 B14R1.6715 CCCC(C)(C)OCCc1cccs1 7a_100000748436_100000748579 [0,2,0,0,0,0|1,1,0]=4 16284 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 270084a_100000694680_100000211391 [0,2,0,0,0,0|2,0,0]=4 16285 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 274078a_100000694680_100000211391 [0,2,0,0,0,0|2,0,0]=4 16286 B14R1.6715 CCCS(=O)(=O)NCCc1ccco1 40a_100000694680_100000054278 [0,2,0,0,0,0|2,0,0]=4 16287 B14R1.6715 COCC(C)(C)CNCc1ccco1 207a_100000734190_100000186105 [0,2,0,0,0,0|2,0,0]=4 16288 B14R1.6715 COCC(C)(C)CNCc1ccco1 270004a_100000734190_100000186105 [0,2,0,0,0,0|2,0,0]=4 16289 B14R1.304 CC(C)(CO)CNCCc1ccco1 34a_100000694680_100009813988 [0,2,0,0,0,0|2,0,0]=4 16290 B14R1.304 CCC(C)(C)COCCc1cccs1 7a_100000765029_100000748579 [0,2,0,0,0,0|1,1,0]=4 16291 B14R1.304 CCC(C)(C)NCCCc1cccs1 2230a_100000211385_100010992444 [0,2,0,0,0,0|1,1,0]=4 16292 B14R1.304 CCC(C)(C)OCCCc1cccs1 7a_100000210230_100010992444 [0,2,0,0,0,0|1,1,0]=4 16293 B14R1.304 CCC(C)(C)OCCCc1cccs1 7a_100011713143_100000210677 [0,2,0,0,0,0|1,1,0]=4 16294 B14R1.304 CCC(C)(C)SCCCc1cccs1 62a_100000032637_100010992444 [0,2,0,0,0,0|1,1,0]=4 16295 B14R1.304 CCC(C)(C)SCCCc1cccs1 62a_100010992444_100000032637 [0,2,0,0,0,0|1,1,0]=4 16296 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 207a_100000751051_100000186105 [0,2,0,0,0,0|2,0,0]=4 16297 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 2230a_100000185738_100000756660 [0,2,0,0,0,0|2,0,0]=4 16298 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 270004a_100000751051_100000186105 [0,2,0,0,0,0|2,0,0]=4 16299 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 34a_100000185738_100000756660 [0,2,0,0,0,0|2,0,0]=4 16300 B14R1.304 CCS(=O)(=O)CCOCc1ccco1 34a_100000210059_100000756660 [0,2,0,0,0,0|2,0,0]=4 16301 B14R1.304 COC(C)(C)CNCCc1ccco1 34a_100000694680_100000701081 [0,2,0,0,0,0|2,0,0]=4 16302 B14R1.304 CSC(C)(C)CNCCc1ccco1 270004a_100000694680_100009845794 [0,2,0,0,0,0|2,0,0]=4 16303 B14R1.394 C#CC(CC)OCCCc1cccs1 34a_100000758843_100010992444 [0,2,0,0,0,0|1,1,0]=4 16304 B14R1.394 C#CC(CC)OCCCc1cccs1 7a_100000758843_100010992444 [0,2,0,0,0,0|1,1,0]=4 16305 B14R1.394 C=CC(CC)OCCCc1cccs1 34a_100000766422_100010992444 [0,2,0,0,0,0|1,1,0]=4 16306 B14R1.394 C=CC(CC)OCCCc1cccs1 7a_100000766422_100010992444 [0,2,0,0,0,0|1,1,0]=4 16307 B14R1.394 CCC(CC)CNCCc1ccco1 2230a_100000694680_100011215472 [0,2,0,0,0,0|1,0,0]=3 16308 B14R1.394 CCC(CC)CNCCc1ccco1 269862a_100000694680_100000211137 [0,2,0,0,0,0|1,0,0]=3 16309 B14R1.394 CCC(CC)CNCCc1ccco1 270004a_100000694680_100000211137 [0,2,0,0,0,0|1,0,0]=3 16310 B14R1.394 CCC(CC)CNCCc1ccco1 34a_100000694680_100011215472 [0,2,0,0,0,0|1,0,0]=3 16311 B14R1.394 CCC(CC)CNCCc1cccs1 2230a_100000203755_100011215472 [0,2,0,0,0,0|1,1,0]=4 16312 B14R1.394 CCC(CC)CNCCc1cccs1 2230a_100102946423_100000748579 [0,2,0,0,0,0|1,1,0]=4 16313 B14R1.394 CCC(CC)CNCCc1cccs1 269862a_100000203755_100000211137 [0,2,0,0,0,0|1,1,0]=4 16314 B14R1.394 CCC(CC)CNCCc1cccs1 270004a_100000203755_100000211137 [0,2,0,0,0,0|1,1,0]=4 16315 B14R1.394 CCC(CC)CNCCc1cccs1 34a_100000203755_100011215472 [0,2,0,0,0,0|1,1,0]=4 16316 B14R1.394 CCC(CC)COCCc1cccs1 34a_100011216825_100011215472 [0,2,0,0,0,0|1,1,0]=4 16317 B14R1.394 CCC(CC)COCCc1cccs1 7a_100000703878_100000748579 [0,2,0,0,0,0|1,1,0]=4 16318 B14R1.394 CCC(CC)COCCc1cccs1 7a_100011216825_100011215472 [0,2,0,0,0,0|1,1,0]=4 16319 B14R1.394 CCC(CC)CSCCc1cccs1 62a_100000748579_100011215472 [0,2,0,0,0,0|1,1,0]=4 16320 B14R1.394 CCC(CC)CSCCc1cccs1 62a_100011215472_100000748579 [0,2,0,0,0,0|1,1,0]=4 16321 B14R1.394 CCC(CC)NCCCc1cccs1 2230a_100000199018_100010992444 [0,2,0,0,0,0|1,1,0]=4 16322 B14R1.394 CCC(CC)OCCCc1cccs1 7a_100000688536_100010992444 [0,2,0,0,0,0|1,1,0]=4 16323 B14R1.394 CCC(CC)OCCCc1cccs1 7a_100011713143_100000210505 [0,2,0,0,0,0|1,1,0]=4 16324 B14R1.394 CCC(CC)SCCCc1cccs1 62a_100000210505_100010992444 [0,2,0,0,0,0|1,1,0]=4 16325 B14R1.394 CCC(CC)SCCCc1cccs1 62a_100010992444_100000210505 [0,2,0,0,0,0|1,1,0]=4 16326 B14R1.394 CCC(COCCc1cccs1)OC 34a_100011934954_100000748579 [0,2,0,0,0,0|1,1,0]=4 16327 B14R1.394 CCC(COCCc1cccs1)OC 7a_100011934954_100000748579 [0,2,0,0,0,0|1,1,0]=4 16328 B14R1.394 CCN(CC)CCCSc1ccco1 62a_100009814098_100000709985 [0,2,0,0,0,0|2,0,0]=4 16329 B14R1.394 CCN(CC)CCNCc1ccco1 207a_100015382049_100000186105 [0,2,0,0,0,0|2,0,0]=4 16330 B14R1.394 CCN(CC)CCNCc1ccco1 2230a_100000185738_100000700428 [0,2,0,0,0,0|2,0,0]=4 16331 B14R1.394 CCN(CC)CCNCc1ccco1 270004a_100015382049_100000186105 [0,2,0,0,0,0|2,0,0]=4 16332 B14R1.394 CC[C@@H](CO)NCCCc1cccs1 2230a_100000709445_100010992444 [0,2,0,0,0,0|1,1,0]=4 16333 B14R1.394 COC(CCCSc1ccco1)OC 62a_100000069011_100009814098 [0,2,0,0,0,0|2,0,0]=4 16334 B14R1.394 COC(CCCSc1ccco1)OC 62a_100009814098_100000069011 [0,2,0,0,0,0|2,0,0]=4 16335 B14R1.394 COC(CCNCc1ccco1)OC 2230a_100000185738_100009813347 [0,2,0,0,0,0|2,0,0]=4 16336 B14R1.394 COC(CCNCc1ccco1)OC 34a_100000185738_100000139399 [0,2,0,0,0,0|2,0,0]=4 16337 B14R1.394 COC(CCOCc1ccco1)OC 34a_100000210059_100000139399 [0,2,0,0,0,0|2,0,0]=4 16338 B14R1.394 COC(CNCCc1ccco1)OC 2230a_100000694680_100000751394 [0,2,0,0,0,0|2,0,0]=4 16339 B14R1.394 COC(CNCCc1ccco1)OC 270004a_100000694680_100000752162 [0,2,0,0,0,0|2,0,0]=4 16340 B14R1.394 COC(CNCCc1ccco1)OC 34a_100000694680_100000211822 [0,2,0,0,0,0|2,0,0]=4 16341 B14R1.819 CC(CO)CCNCc1occc1Br 270004a_106354213184_100000756499 [0,2,0,0,0,0|2,0,0]=4 16342 B14R1.819 CCC(C)CCNCc1cccn1C 270004a_100020591266_100000211633 [0,2,0,0,0,0|2,0,0]=4 16343 B14R1.819 CCC(C)CCNCc1occc1Br 270004a_100020591266_100000756499 [0,2,0,0,0,0|1,0,0]=3 16344 B14R1.819 CCC(C)CCNCc1occc1C 207a_100020591266_100000763527 [0,2,0,0,0,0|1,0,0]=3 16345 B14R1.819 CCC(C)CCNCc1occc1C 270004a_100020591266_100000763527 [0,2,0,0,0,0|1,0,0]=3 16346 B14R1.819 CCC(C)CCNCc1sccc1Br 207a_100020591266_100000766043 [0,2,0,0,0,0|1,1,0]=4 16347 B14R1.819 CCC(C)CCNCc1sccc1Br 270004a_100020591266_100000766043 [0,2,0,0,0,0|1,1,0]=4 16348 B14R1.819 CCC(C)CCNCc1sccc1C 207a_100020591266_100000210881 [0,2,0,0,0,0|1,1,0]=4 16349 B14R1.819 CCC(C)CCNCc1sccc1C 270004a_100020591266_100000210881 [0,2,0,0,0,0|1,1,0]=4 16350 B14R1.819 CCC(C)CCNCc1sccc1Cl 207a_100020591266_100000722334 [0,2,0,0,0,0|1,1,0]=4 16351 B14R1.819 CCC(C)CCNCc1sccc1Cl 270004a_100020591266_100000722334 [0,2,0,0,0,0|1,1,0]=4 16352 B14R1.819 CCC(C)CNCCc1cccn1C 2230a_100011251756_100000748023 [0,2,0,0,0,0|2,0,0]=4 16353 B14R1.819 CCC(C)CNCCc1cccn1C 34a_100011251756_100000748023 [0,2,0,0,0,0|2,0,0]=4 16354 B14R1.819 CCC(O)CNCCc1cccn1C 2230a_100011251756_100011218378 [0,2,0,0,0,0|2,0,0]=4 16355 B14R1.819 CCC(O)CNCCc1cccn1C 34a_100011251756_100011218378 [0,2,0,0,0,0|2,0,0]=4 16356 B14R1.819 CC[C@H](C)CNCCc1cccn1C 2230a_100011251756_100009816398 [0,2,0,0,0,0|2,0,0]=4 16357 B14R1.819 CC[C@H](C)CNCCc1cccn1C 34a_100011251756_100009816398 [0,2,0,0,0,0|2,0,0]=4 16358 B14R1.819 Cc1ccoc1CNCCC(C)CO 207a_106354213184_100000763527 [0,2,0,0,0,0|2,0,0]=4 16359 B14R1.819 Cc1ccoc1CNCCC(C)CO 270004a_106354213184_100000763527 [0,2,0,0,0,0|2,0,0]=4 16360 B14R1.62 CCCCCCNc1sccc1C#N 27a_100000210581_100009817073 [0,2,0,0,0,0|1,1,0]=4 16361 B14R1.62 CCCCCCSc1sccc1C#N 62a_100000210314_100009817073 [0,2,0,0,0,0|1,1,0]=4 16362 B14R1.62 CCCCCCSc1sccc1C=O 62a_100000210314_100009816921 [0,2,0,0,0,0|1,1,0]=4 16363 B14R1.62 CCCCCCSc1sccc1C=O 62a_100009816921_100000210757 [0,2,0,0,0,0|1,1,0]=4 16364 B14R1.62 CCCCCCSc1sccc1CC 62a_100000210314_200009875468 [0,2,0,0,0,0|1,1,0]=4 16365 B14R1.62 CCCCCCSc1sccc1CC 62a_200009875468_100000210757 [0,2,0,0,0,0|1,1,0]=4 16366 B14R1.62 CCCCCCSc1sccc1CN 62a_100000210314_100000727803 [0,2,0,0,0,0|1,1,0]=4 16367 B14R1.62 CCCCCCSc1sccc1CN 62a_100000727803_100000210757 [0,2,0,0,0,0|1,1,0]=4 16368 B14R1.62 CCCCCCSc1sccc1CO 62a_100000210314_100009816922 [0,2,0,0,0,0|1,1,0]=4 16369 B14R1.62 CCCCCCSc1sccc1CO 62a_100009816922_100000210757 [0,2,0,0,0,0|1,1,0]=4 16370 B14R1.62 CCCCCNCc1cccn1CC 2230a_103496549365_100000210326 [0,2,0,0,0,0|2,0,0]=4 16371 B14R1.62 CCCCCNCc1cccn1CC 270004a_100000209983_100011302050 [0,2,0,0,0,0|2,0,0]=4 16372 B14R1.62 CCCCCNCc1cccn1CC 34a_103496549365_100000718602 [0,2,0,0,0,0|2,0,0]=4 16373 B14R1.62 CCCCCNCc1occc1OC 207a_100000209983_200009856553 [0,2,0,0,0,0|1,0,0]=3 16374 B14R1.62 CCCCCNCc1occc1OC 270004a_100000209983_200009856553 [0,2,0,0,0,0|1,0,0]=3 16375 B14R1.62 CCCCCNCc1sccc1OC 207a_100000209983_100000689126 [0,2,0,0,0,0|1,1,0]=4 16376 B14R1.62 CCCCCNCc1sccc1OC 270004a_100000209983_100000689126 [0,2,0,0,0,0|1,1,0]=4 16377 B14R1.62 CCOCCNCc1occc1OC 207a_100011200944_200009856553 [0,2,0,0,0,0|2,0,0]=4 16378 B14R1.62 CCOCCNCc1occc1OC 270004a_102516460346_200009856553 [0,2,0,0,0,0|2,0,0]=4 16379 B14R1.62 CCSCCNCc1occc1OC 207a_100000106463_200009856553 [0,2,0,0,0,0|2,0,0]=4 16380 B14R1.62 CCSCCNCc1occc1OC 270004a_100000106463_200009856553 [0,2,0,0,0,0|2,0,0]=4 16381 B14R1.62 COCCCNCc1occc1OC 207a_100150723488_200009856553 [0,2,0,0,0,0|2,0,0]=4 16382 B14R1.62 COCCCNCc1occc1OC 270004a_100150723488_200009856553 [0,2,0,0,0,0|2,0,0]=4 16383 B14R1.62 COc1ccoc1CNCCCCO 207a_100000750430_200009856553 [0,2,0,0,0,0|2,0,0]=4 16384 B14R1.62 COc1ccoc1CNCCCCO 270004a_100000750430_200009856553 [0,2,0,0,0,0|2,0,0]=4 16385 B14R1.62 COc1ccoc1CNCCCSC 207a_100000749238_200009856553 [0,2,0,0,0,0|2,0,0]=4 16386 B14R1.62 COc1ccoc1CNCCCSC 270004a_100000749238_200009856553 [0,2,0,0,0,0|2,0,0]=4 16387 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,0,1,1,0,0|0,0,2]=4 16388 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,0,1,1,0,0|0,0,2]=4 16389 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,0,1,1,0,0|0,0,2]=4 16390 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,0,1,1,0,0|0,0,2]=4 16391 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,0,1,1,0,0|0,0,2]=4 16392 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,0,1,1,0,0|0,0,2]=4 16393 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,0,1,1,0,0|0,0,2]=4 16394 B12R1.375 C/C=C/C=C/COCCC1CC1 34a_100016283227_100000694398 [0,0,1,1,0,0|2,0,0]=4 16395 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,0,1,1,0,0|0,0,2]=4 16396 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,0,1,1,0,0|0,0,2]=4 16397 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,0,1,1,0,0|0,0,2]=4 16398 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,0,1,1,0,0|0,0,2]=4 16399 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,0,1,1,0,0|0,0,2]=4 16400 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,0,1,1,0,0|0,0,2]=4 16401 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,0,1,1,0,0|1,0,1]=4 16402 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,0,1,1,0,0|1,0,1]=4 16403 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,0,1,1,0,0|1,0,1]=4 16404 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,0,1,1,0,0|0,0,2]=4 16405 B12R1.310 C=COC(=O)CNCCC1CC1 34a_100000764129_100000036128 [0,0,1,1,0,0|2,0,0]=4 16406 B12R1.310 C=COC(=O)COCCC1CC1 34a_100000754188_100000036128 [0,0,1,1,0,0|2,0,0]=4 16407 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000036128_100000764125 [0,0,1,1,0,0|2,0,0]=4 16408 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000764125_100000036128 [0,0,1,1,0,0|2,0,0]=4 16409 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000036128 [0,0,1,1,0,0|2,0,0]=4 16410 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000036128 [0,0,1,1,0,0|2,0,0]=4 16411 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000036128 [0,0,1,1,0,0|2,0,0]=4 16412 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000036128 [0,0,1,1,0,0|2,0,0]=4 16413 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000036128 [0,0,1,1,0,0|2,0,0]=4 16414 B12R1.1505 C=COC(=O)COCC1CC1C 34a_100000744939_100000036128 [0,0,1,1,0,0|2,0,0]=4 16415 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,0,1,1,0,0|0,0,2]=4 16416 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,0,1,1,0,0|0,0,2]=4 16417 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,0,1,1,0,0|0,0,2]=4 16418 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,0,1,1,0,0|1,0,1]=4 16419 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,0,1,1,0,0|1,0,1]=4 16420 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,0,1,1,0,0|1,0,1]=4 16421 B12R2.2 C1=C(CCCC1)c2ccco2 271570a_100000062251_100009814098 [1,0,0,1,0,0|0,0,2]=4 16422 B12R2.10 CN1CCCC1c2ccco2 2230a_100011206061_200000210301 [1,0,0,1,0,0|1,0,0]=3 16423 B12R2.10 CN1CCCC1c2ccco2 269982a_100011206061_200000210301 [1,0,0,1,0,0|1,0,0]=3 16424 B12R2.10 CN1CCCC1c2cccs2 2230a_100000185107_200000210301 [1,0,0,1,0,0|1,1,0]=4 16425 B12R2.10 CN1CCCC1c2cccs2 269982a_100000185107_200000210301 [1,0,0,1,0,0|1,1,0]=4 16426 B12R2.10 CN1CCCC1c2cccs2 34a_100000185107_200000210301 [1,0,0,1,0,0|1,1,0]=4 16427 B12R2.10 [13CH3]N1CCCC1c2ccco2 2230a_100011206061_200025704644 [1,0,0,1,0,0|1,0,0]=3 16428 B12R2.10 [13CH3]N1CCCC1c2ccco2 269982a_100011206061_200025704644 [1,0,0,1,0,0|1,0,0]=3 16429 B12R2.10 [13CH3]N1CCCC1c2cccs2 2230a_100000185107_200025704644 [1,0,0,1,0,0|1,1,0]=4 16430 B12R2.10 [13CH3]N1CCCC1c2cccs2 269982a_100000185107_200025704644 [1,0,0,1,0,0|1,1,0]=4 16431 B12R2.10 [13CH3]N1CCCC1c2cccs2 34a_100000185107_200025704644 [1,0,0,1,0,0|1,1,0]=4 16432 B12R2.12 CC1CCN1Cc2ncco2 269982a_100000755817_103436540062 [1,0,0,1,0,0|2,0,0]=4 16433 B12R2.12 CC1CCN1Cc2ncco2 34a_100000755817_103436540062 [1,0,0,1,0,0|2,0,0]=4 16434 B12R2.98 C(=C1CCCC1)c2ccco2 271570a_100010378317_100009814098 [1,0,0,1,0,0|0,0,2]=4 16435 B12R2.98 c1coc(c1)CN2CCCC2 270004a_100000188435_100000186105 [1,0,0,1,0,0|1,0,0]=3 16436 B12R2.98 c1coc(c1)CN2CCSC2 270004a_100011215254_100000186105 [1,0,0,1,0,0|2,0,0]=4 16437 B12R2.98 c1coc(c1)SC2CCCC2 62a_100009814098_100000179811 [1,0,0,1,0,0|1,0,0]=3 16438 B12R2.98 c1coc(c1)SC2CCCC2 62a_100011217020_100009814098 [1,0,0,1,0,0|1,0,0]=3 16439 B12R2.98 c1coc(c1)SC2CCOC2 62a_100009814098_100000690089 [1,0,0,1,0,0|2,0,0]=4 16440 B12R2.98 c1coc(n1)CN2CCCC2 2230a_100000188435_103436540062 [1,0,0,1,0,0|2,0,0]=4 16441 B12R2.98 c1coc(n1)CN2CCCC2 269982a_100000188435_103436540062 [1,0,0,1,0,0|2,0,0]=4 16442 B12R2.98 c1coc(n1)CN2CCCC2 270004a_100000188435_100000064290 [1,0,0,1,0,0|2,0,0]=4 16443 B12R2.98 c1coc(n1)SC2CCCC2 62a_100011217020_100011787736 [1,0,0,1,0,0|2,0,0]=4 16444 B12R2.98 c1coc(n1)SC2CCCC2 62a_100011787736_100000179811 [1,0,0,1,0,0|2,0,0]=4 16445 B12R2.98 c1csc(c1)CN2CCCC2 270004a_100000188435_100000209959 [1,0,0,1,0,0|1,1,0]=4 16446 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011215356_100000179811 [1,0,0,1,0,0|1,1,0]=4 16447 B12R2.98 c1csc(c1)SC2CCCC2 62a_100011217020_100011215356 [1,0,0,1,0,0|1,1,0]=4 16448 B12R2.98 c1ncc(o1)CN2CCCC2 270004a_100000188435_100000064291 [1,0,0,1,0,0|2,0,0]=4 16449 B12R2.98 c1ncc(o1)SC2CCCC2 62a_100011217020_100020591547 [1,0,0,1,0,0|2,0,0]=4 16450 B12R2.98 c1ncc(o1)SC2CCCC2 62a_100020591547_100000179811 [1,0,0,1,0,0|2,0,0]=4 16451 B12R2.144 CCNC1CCc2c1ccs2 269862a_100015525214_100000011361 [1,0,0,1,0,0|1,1,0]=4 16452 B12R2.315 CNC1CCCc2c1cco2 269862a_106832991636_100000744050 [1,0,0,1,0,0|1,0,0]=3 16453 B12R2.315 CNC1CCCc2c1ccs2 269862a_106832991636_100000024123 [1,0,0,1,0,0|1,1,0]=4 16454 B12R2.2056 c1cc(on1)COC2CCC2 34a_100000740478_100000749161 [1,0,0,1,0,0|2,0,0]=4 16455 B12R2.2056 c1coc(c1)CNC2CCC2 270004a_100000185738_100000241760 [1,0,0,1,0,0|1,0,0]=3 16456 B12R2.2056 c1coc(c1)CNC2CCC2 34a_100000185738_100000749161 [1,0,0,1,0,0|1,0,0]=3 16457 B12R2.2056 c1coc(c1)CNC2COC2 207a_100016991112_100000186105 [1,0,0,1,0,0|2,0,0]=4 16458 B12R2.2056 c1coc(c1)CNC2COC2 270004a_100016991112_100000186105 [1,0,0,1,0,0|2,0,0]=4 16459 B12R2.2056 c1coc(c1)CNC2COC2 34a_100000185738_100009818527 [1,0,0,1,0,0|2,0,0]=4 16460 B12R2.2056 c1coc(c1)CNC2CSC2 207a_100016994217_100000186105 [1,0,0,1,0,0|2,0,0]=4 16461 B12R2.2056 c1coc(c1)CNC2CSC2 270004a_100016994217_100000186105 [1,0,0,1,0,0|2,0,0]=4 16462 B12R2.2056 c1coc(c1)COC2CCC2 34a_100000210059_100000749161 [1,0,0,1,0,0|1,0,0]=3 16463 B12R2.2056 c1coc(c1)COC2COC2 34a_100000210059_100009818527 [1,0,0,1,0,0|2,0,0]=4 16464 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100000763275_100009814098 [1,0,0,1,0,0|1,0,0]=3 16465 B12R2.2056 c1coc(c1)SCC2CCC2 62a_100009814098_100000763275 [1,0,0,1,0,0|1,0,0]=3 16466 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100000103362_100009814098 [1,0,0,1,0,0|2,0,0]=4 16467 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100009814098_100000103362 [1,0,0,1,0,0|2,0,0]=4 16468 B12R2.2056 c1coc(c1)SCC2COC2 62a_100009814098_100010264016 [1,0,0,1,0,0|2,0,0]=4 16469 B12R2.2056 c1coc(c1)SCC2COC2 62a_100010264016_100009814098 [1,0,0,1,0,0|2,0,0]=4 16470 B12R2.2056 c1coc(n1)CNC2CCC2 2230a_100000749019_103436540062 [1,0,0,1,0,0|2,0,0]=4 16471 B12R2.2056 c1coc(n1)CNC2CCC2 34a_100000749019_103436540062 [1,0,0,1,0,0|2,0,0]=4 16472 B12R2.2056 c1coc(n1)COC2CCC2 34a_100000062594_100000749161 [1,0,0,1,0,0|2,0,0]=4 16473 B12R2.2056 c1coc(n1)COC2CCC2 34a_100000748187_103436540062 [1,0,0,1,0,0|2,0,0]=4 16474 B12R2.2056 c1coc(n1)CSC2CCC2 62a_103436540062_100000749161 [1,0,0,1,0,0|2,0,0]=4 16475 B12R2.2056 c1coc(n1)SCC2CCC2 62a_100000763275_100011787736 [1,0,0,1,0,0|2,0,0]=4 16476 B12R2.2056 c1coc(n1)SCC2CCC2 62a_100011787736_100000763275 [1,0,0,1,0,0|2,0,0]=4 16477 B12R2.2056 c1csc(c1)CCN2CCC2 269982a_100000754969_100000748579 [1,0,0,1,0,0|1,1,0]=4 16478 B12R2.2056 c1csc(c1)CNC2CCC2 270004a_100000211653_100000241760 [1,0,0,1,0,0|1,1,0]=4 16479 B12R2.2056 c1csc(c1)COC2CCC2 34a_100000211240_100000749161 [1,0,0,1,0,0|1,1,0]=4 16480 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100000763275_100011215356 [1,0,0,1,0,0|1,1,0]=4 16481 B12R2.2056 c1csc(c1)SCC2CCC2 62a_100011215356_100000763275 [1,0,0,1,0,0|1,1,0]=4 16482 B12R2.2056 c1ncc(o1)CNC2CCC2 270004a_100020634212_100000241760 [1,0,0,1,0,0|2,0,0]=4 16483 B12R2.2056 c1ncc(o1)SCC2CCC2 62a_100000763275_100020591547 [1,0,0,1,0,0|2,0,0]=4 16484 B12R2.2056 c1ncc(o1)SCC2CCC2 62a_100020591547_100000763275 [1,0,0,1,0,0|2,0,0]=4 16485 B12R2.2383 c1cc(on1)COCC2CC2 34a_100000740478_100000742324 [1,0,0,1,0,0|2,0,0]=4 16486 B12R2.2383 c1coc(c1)CCNC2CC2 34a_100000694680_100000211595 [1,0,0,1,0,0|1,0,0]=3 16487 B12R2.2383 c1coc(c1)CNCC2CC2 207a_100000735609_100000186105 [1,0,0,1,0,0|1,0,0]=3 16488 B12R2.2383 c1coc(c1)CNCC2CC2 2230a_100000185738_100000742324 [1,0,0,1,0,0|1,0,0]=3 16489 B12R2.2383 c1coc(c1)CNCC2CC2 270004a_100000735609_100000186105 [1,0,0,1,0,0|1,0,0]=3 16490 B12R2.2383 c1coc(c1)CNCC2CC2 34a_100000185738_100000742324 [1,0,0,1,0,0|1,0,0]=3 16491 B12R2.2383 c1coc(c1)CNCC2CO2 2230a_100000185738_100011216344 [1,0,0,1,0,0|2,0,0]=4 16492 B12R2.2383 c1coc(c1)CNCC2CO2 34a_100000185738_102125554688 [1,0,0,1,0,0|2,0,0]=4 16493 B12R2.2383 c1coc(c1)COCC2CC2 34a_100000210059_100000742324 [1,0,0,1,0,0|1,0,0]=3 16494 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [1,0,0,1,0,0|2,0,0]=4 16495 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100000764125_100009814098 [1,0,0,1,0,0|1,0,0]=3 16496 B12R2.2383 c1coc(c1)SCCC2CC2 62a_100009814098_100000764125 [1,0,0,1,0,0|1,0,0]=3 16497 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100000732470_100009814098 [1,0,0,1,0,0|2,0,0]=4 16498 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100009814098_100000732470 [1,0,0,1,0,0|2,0,0]=4 16499 B12R2.2383 c1coc(n1)CNCC2CC2 2230a_100000735609_103436540062 [1,0,0,1,0,0|2,0,0]=4 16500 B12R2.2383 c1coc(n1)CNCC2CC2 2230a_100016994969_100000742324 [1,0,0,1,0,0|2,0,0]=4 16501 B12R2.2383 c1coc(n1)CNCC2CC2 270004a_100000735609_100000064290 [1,0,0,1,0,0|2,0,0]=4 16502 B12R2.2383 c1coc(n1)CNCC2CC2 34a_100000735609_103436540062 [1,0,0,1,0,0|2,0,0]=4 16503 B12R2.2383 c1coc(n1)COCC2CC2 34a_100000062594_100000742324 [1,0,0,1,0,0|2,0,0]=4 16504 B12R2.2383 c1coc(n1)COCC2CC2 34a_100000211283_103436540062 [1,0,0,1,0,0|2,0,0]=4 16505 B12R2.2383 c1coc(n1)CSCC2CC2 62a_100000756562_103436540062 [1,0,0,1,0,0|2,0,0]=4 16506 B12R2.2383 c1coc(n1)CSCC2CC2 62a_103436540062_100000742324 [1,0,0,1,0,0|2,0,0]=4 16507 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100000764125_100011787736 [1,0,0,1,0,0|2,0,0]=4 16508 B12R2.2383 c1coc(n1)SCCC2CC2 62a_100011787736_100000764125 [1,0,0,1,0,0|2,0,0]=4 16509 B12R2.2383 c1csc(c1)CCNC2CC2 34a_100000203755_100000211595 [1,0,0,1,0,0|1,1,0]=4 16510 B12R2.2383 c1csc(c1)CCNC2CC2 34a_100000212008_100000748579 [1,0,0,1,0,0|1,1,0]=4 16511 B12R2.2383 c1csc(c1)CCOC2CC2 34a_100011216825_100000211595 [1,0,0,1,0,0|1,1,0]=4 16512 B12R2.2383 c1csc(c1)CCSC2CC2 62a_100000748579_100000211595 [1,0,0,1,0,0|1,1,0]=4 16513 B12R2.2383 c1csc(c1)CNCC2CC2 207a_100000735609_100000209959 [1,0,0,1,0,0|1,1,0]=4 16514 B12R2.2383 c1csc(c1)CNCC2CC2 2230a_100000211653_100000742324 [1,0,0,1,0,0|1,1,0]=4 16515 B12R2.2383 c1csc(c1)CNCC2CC2 269862a_100000211653_100000741477 [1,0,0,1,0,0|1,1,0]=4 16516 B12R2.2383 c1csc(c1)CNCC2CC2 270004a_100000735609_100000209959 [1,0,0,1,0,0|1,1,0]=4 16517 B12R2.2383 c1csc(c1)COCC2CC2 34a_100000211240_100000742324 [1,0,0,1,0,0|1,1,0]=4 16518 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100000764125_100011215356 [1,0,0,1,0,0|1,1,0]=4 16519 B12R2.2383 c1csc(c1)SCCC2CC2 62a_100011215356_100000764125 [1,0,0,1,0,0|1,1,0]=4 16520 B12R2.2383 c1ncc(o1)CNCC2CC2 269862a_100020634212_100000741477 [1,0,0,1,0,0|2,0,0]=4 16521 B12R2.2383 c1ncc(o1)CNCC2CC2 270004a_100000735609_100000064291 [1,0,0,1,0,0|2,0,0]=4 16522 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100000764125_100020591547 [1,0,0,1,0,0|2,0,0]=4 16523 B12R2.2383 c1ncc(o1)SCCC2CC2 62a_100020591547_100000764125 [1,0,0,1,0,0|2,0,0]=4 16524 B14R2.3 CCCNC1CCc2c1cccc2 269862a_100020643023_100000212051 [0,0,0,1,0,1|2,0,0]=4 16525 B14R2.3 CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210303 [0,0,0,1,0,1|2,0,0]=4 16526 B14R2.3 CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210303 [0,0,0,1,0,1|2,0,0]=4 16527 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [0,0,0,1,0,1|2,0,0]=4 16528 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [0,0,0,1,0,1|2,0,0]=4 16529 B14R2.3 CCCSC1CCc2c1cccc2 62a_100000210303_200000721974 [0,0,0,1,0,1|2,0,0]=4 16530 B14R2.3 CCNCC1CCc2c1cccc2 2230a_100020632452_100000210202 [0,0,0,1,0,1|2,0,0]=4 16531 B14R2.3 CCNCC1CCc2c1cccc2 34a_100020632452_100000210202 [0,0,0,1,0,1|2,0,0]=4 16532 B14R2.6 c1cc(ccn1)OC2CCCCC2 34a_100000212176_100000210327 [0,0,0,1,0,1|2,0,0]=4 16533 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000210327_100000728582 [0,0,0,1,0,1|2,0,0]=4 16534 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000728582_100000210327 [0,0,0,1,0,1|2,0,0]=4 16535 B14R2.6 c1cc(ncn1)NC2CCCCC2 27a_100000182618_100000703185 [0,0,0,1,0,1|2,0,0]=4 16536 B14R2.6 c1cc(ncn1)SC2CCCCC2 62a_100000210327_100000703185 [0,0,0,1,0,1|2,0,0]=4 16537 B14R2.6 c1cc(ncn1)SC2CCCCC2 62a_100000703185_100000210327 [0,0,0,1,0,1|2,0,0]=4 16538 B14R2.6 c1ccc(cc1)NC2CCCCC2 34a_100000106764_100000210327 [0,0,0,1,0,1|2,0,0]=4 16539 B14R2.6 c1ccc(cc1)OC2CCCCC2 34a_100000210340_100000210327 [0,0,0,1,0,1|2,0,0]=4 16540 B14R2.6 c1ccc(cc1)OC2CCCCC2 7a_100000210340_100000210327 [0,0,0,1,0,1|2,0,0]=4 16541 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000210327_100000041952 [0,0,0,1,0,1|2,0,0]=4 16542 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000719477_100000210327 [0,0,0,1,0,1|2,0,0]=4 16543 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100000210327_100011216584 [0,0,0,1,0,1|2,0,0]=4 16544 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100011216584_100000210327 [0,0,0,1,0,1|2,0,0]=4 16545 B14R2.6 c1cnc(cn1)NC2CCCCC2 27a_100000182618_100000211759 [0,0,0,1,0,1|2,0,0]=4 16546 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000210327_100000211759 [0,0,0,1,0,1|2,0,0]=4 16547 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000211759_100000210327 [0,0,0,1,0,1|2,0,0]=4 16548 B14R2.6 c1cnc(nc1)NC2CCCCC2 27a_100000182618_100000211032 [0,0,0,1,0,1|2,0,0]=4 16549 B14R2.6 c1cnc(nc1)SC2CCCCC2 62a_100000210327_100000211032 [0,0,0,1,0,1|2,0,0]=4 16550 B14R2.6 c1cnc(nc1)SC2CCCCC2 62a_100000211032_100000210327 [0,0,0,1,0,1|2,0,0]=4 16551 B14R2.6 c1cncc(c1)OC2CCCCC2 34a_100000210849_100000210327 [0,0,0,1,0,1|2,0,0]=4 16552 B14R2.6 c1cncc(c1)OC2CCCCC2 7a_100000210849_100000210327 [0,0,0,1,0,1|2,0,0]=4 16553 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210063_100000210327 [0,0,0,1,0,1|2,0,0]=4 16554 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210327_100000210063 [0,0,0,1,0,1|2,0,0]=4 16555 B14R2.6 c1cnnc(c1)NC2CCCCC2 27a_100000182618_100016991348 [0,0,0,1,0,1|2,0,0]=4 16556 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100000210327_100016991348 [0,0,0,1,0,1|2,0,0]=4 16557 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100016991348_100000210327 [0,0,0,1,0,1|2,0,0]=4 16558 B14R2.14 CCC1CCCN1c2cccnn2 27a_100000754278_100016991348 [0,0,0,1,0,1|2,0,0]=4 16559 B14R2.14 CCC1CCCN1c2ccncn2 27a_100000754278_100000703185 [0,0,0,1,0,1|2,0,0]=4 16560 B14R2.14 CCC1CCCN1c2cnccn2 27a_100000754278_100000211759 [0,0,0,1,0,1|2,0,0]=4 16561 B14R2.14 CCC1CCCN1c2ncccn2 27a_100000754278_100000211032 [0,0,0,1,0,1|2,0,0]=4 16562 B14R2.14 CCN1CCCC1c2ccccc2 2230a_100000243309_100000210202 [0,0,0,1,0,1|2,0,0]=4 16563 B14R2.14 CCN1CCCC1c2ccccc2 269982a_100000243309_100000204670 [0,0,0,1,0,1|2,0,0]=4 16564 B14R2.14 CCN1CCCC1c2ccccc2 34a_100000243309_100000210202 [0,0,0,1,0,1|2,0,0]=4 16565 B14R2.14 CCN1CCCC1c2ccccn2 2230a_100000744244_100000210202 [0,0,0,1,0,1|2,0,0]=4 16566 B14R2.14 CCN1CCCC1c2ccccn2 269982a_100000744244_100000204670 [0,0,0,1,0,1|2,0,0]=4 16567 B14R2.14 CCN1CCCC1c2cccnc2 2230a_100000233489_100000210202 [0,0,0,1,0,1|2,0,0]=4 16568 B14R2.14 CCN1CCCC1c2cccnc2 269982a_100000233489_100000204670 [0,0,0,1,0,1|2,0,0]=4 16569 B14R2.14 CCN1CCCC1c2ccncc2 2230a_106446545576_100000210202 [0,0,0,1,0,1|2,0,0]=4 16570 B14R2.14 CCN1CCCC1c2ccncc2 269982a_106446545576_100000204670 [0,0,0,1,0,1|2,0,0]=4 16571 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,0,0,1,0,1|2,0,0]=4 16572 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,0,0,1,0,1|2,0,0]=4 16573 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,0,0,1,0,1|2,0,0]=4 16574 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,0,0,1,0,1|2,0,0]=4 16575 B14R2.24 CC1CCCCN1c2cccnn2 27a_100000211376_100016991348 [0,0,0,1,0,1|2,0,0]=4 16576 B14R2.24 CC1CCCCN1c2ccncn2 27a_100000211376_100000703185 [0,0,0,1,0,1|2,0,0]=4 16577 B14R2.24 CC1CCCCN1c2cnccn2 27a_100000211376_100000211759 [0,0,0,1,0,1|2,0,0]=4 16578 B14R2.24 CC1CCCCN1c2ncccn2 27a_100000211376_100000211032 [0,0,0,1,0,1|2,0,0]=4 16579 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [0,0,0,1,0,1|2,0,0]=4 16580 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [0,0,0,1,0,1|2,0,0]=4 16581 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [0,0,0,1,0,1|2,0,0]=4 16582 B14R2.24 CN1CCCCC1c2ccccn2 2230a_100015185292_200000210301 [0,0,0,1,0,1|2,0,0]=4 16583 B14R2.24 CN1CCCCC1c2ccccn2 269982a_100015185292_200000210301 [0,0,0,1,0,1|2,0,0]=4 16584 B14R2.24 CN1CCCCC1c2cccnc2 2230a_100000723942_200000210301 [0,0,0,1,0,1|2,0,0]=4 16585 B14R2.24 CN1CCCCC1c2cccnc2 269982a_100000723942_200000210301 [0,0,0,1,0,1|2,0,0]=4 16586 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [0,0,0,1,0,1|2,0,0]=4 16587 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [0,0,0,1,0,1|2,0,0]=4 16588 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [0,0,0,1,0,1|2,0,0]=4 16589 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 2230a_100015185292_200025704644 [0,0,0,1,0,1|2,0,0]=4 16590 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 269982a_100015185292_200025704644 [0,0,0,1,0,1|2,0,0]=4 16591 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 2230a_100000723942_200025704644 [0,0,0,1,0,1|2,0,0]=4 16592 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 269982a_100000723942_200025704644 [0,0,0,1,0,1|2,0,0]=4 16593 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [0,0,0,1,0,1|2,0,0]=4 16594 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [0,0,0,1,0,1|2,0,0]=4 16595 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [0,0,0,1,0,1|2,0,0]=4 16596 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 2230a_100015189458_100015291786 [0,0,0,1,0,1|2,0,0]=4 16597 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 269982a_100015189458_100000211182 [0,0,0,1,0,1|2,0,0]=4 16598 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 270004a_100015189458_100015611070 [0,0,0,1,0,1|2,0,0]=4 16599 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 34a_100015189458_100015291786 [0,0,0,1,0,1|2,0,0]=4 16600 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 2230a_100015189458_100000721315 [0,0,0,1,0,1|2,0,0]=4 16601 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 269982a_100015189458_100000721315 [0,0,0,1,0,1|2,0,0]=4 16602 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 270004a_100015189458_100000209966 [0,0,0,1,0,1|2,0,0]=4 16603 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 34a_100015189458_100000721315 [0,0,0,1,0,1|2,0,0]=4 16604 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 2230a_100015189458_100000741622 [0,0,0,1,0,1|2,0,0]=4 16605 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 269982a_100015189458_100000733263 [0,0,0,1,0,1|2,0,0]=4 16606 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 270004a_100015189458_100000209961 [0,0,0,1,0,1|2,0,0]=4 16607 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 34a_100015189458_100000733263 [0,0,0,1,0,1|2,0,0]=4 16608 B14R2.30 C[C@@H]1CCCN1Cc2cccnn2 2230a_100015189458_100016990269 [0,0,0,1,0,1|2,0,0]=4 16609 B14R2.30 C[C@@H]1CCCN1Cc2cccnn2 34a_100015189458_100016990269 [0,0,0,1,0,1|2,0,0]=4 16610 B14R2.30 C[C@@H]1CCCN1Cc2ccncc2 2230a_100015189458_100015193705 [0,0,0,1,0,1|2,0,0]=4 16611 B14R2.30 C[C@@H]1CCCN1Cc2ccncc2 269982a_100015189458_100015193705 [0,0,0,1,0,1|2,0,0]=4 16612 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 2230a_100015189458_100016995436 [0,0,0,1,0,1|2,0,0]=4 16613 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 269982a_100015189458_100016995436 [0,0,0,1,0,1|2,0,0]=4 16614 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 270004a_100015189458_100000749867 [0,0,0,1,0,1|2,0,0]=4 16615 B14R2.30 C[C@@H]1CCCN1Cc2cnccn2 34a_100015189458_100016995436 [0,0,0,1,0,1|2,0,0]=4 16616 B14R2.30 C[C@@H]1CCCN1Cc2ncccn2 2230a_100015189458_100000703007 [0,0,0,1,0,1|2,0,0]=4 16617 B14R2.30 C[C@@H]1CCCN1Cc2ncccn2 269982a_100015189458_100000703007 [0,0,0,1,0,1|2,0,0]=4 16618 B14R2.30 C[C@@H]1CCCN1Cc2ncccn2 270004a_100015189458_100011532527 [0,0,0,1,0,1|2,0,0]=4 16619 B14R2.30 C[C@@H]1CCCN1Cc2ncccn2 34a_100015189458_100000703007 [0,0,0,1,0,1|2,0,0]=4 16620 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 2230a_100020605311_100015291786 [0,0,0,1,0,1|2,0,0]=4 16621 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 269982a_100020605311_100000211182 [0,0,0,1,0,1|2,0,0]=4 16622 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 270004a_100020605311_100015611070 [0,0,0,1,0,1|2,0,0]=4 16623 B14R2.30 C[C@H]1CCCN1Cc2ccccn2 2230a_100020605311_100000721315 [0,0,0,1,0,1|2,0,0]=4 16624 B14R2.30 C[C@H]1CCCN1Cc2ccccn2 269982a_100020605311_100000721315 [0,0,0,1,0,1|2,0,0]=4 16625 B14R2.30 C[C@H]1CCCN1Cc2ccccn2 270004a_100020605311_100000209966 [0,0,0,1,0,1|2,0,0]=4 16626 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 2230a_100020605311_100000741622 [0,0,0,1,0,1|2,0,0]=4 16627 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 269982a_100020605311_100000733263 [0,0,0,1,0,1|2,0,0]=4 16628 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 270004a_100020605311_100000209961 [0,0,0,1,0,1|2,0,0]=4 16629 B14R2.30 C[C@H]1CCCN1Cc2cccnn2 2230a_100020605311_100016990269 [0,0,0,1,0,1|2,0,0]=4 16630 B14R2.30 C[C@H]1CCCN1Cc2ccncc2 2230a_100020605311_100015193705 [0,0,0,1,0,1|2,0,0]=4 16631 B14R2.30 C[C@H]1CCCN1Cc2ccncc2 269982a_100020605311_100015193705 [0,0,0,1,0,1|2,0,0]=4 16632 B14R2.30 C[C@H]1CCCN1Cc2cnccn2 2230a_100020605311_100016995436 [0,0,0,1,0,1|2,0,0]=4 16633 B14R2.30 C[C@H]1CCCN1Cc2cnccn2 269982a_100020605311_100016995436 [0,0,0,1,0,1|2,0,0]=4 16634 B14R2.30 C[C@H]1CCCN1Cc2cnccn2 270004a_100020605311_100000749867 [0,0,0,1,0,1|2,0,0]=4 16635 B14R2.30 C[C@H]1CCCN1Cc2ncccn2 2230a_100020605311_100000703007 [0,0,0,1,0,1|2,0,0]=4 16636 B14R2.30 C[C@H]1CCCN1Cc2ncccn2 269982a_100020605311_100000703007 [0,0,0,1,0,1|2,0,0]=4 16637 B14R2.30 C[C@H]1CCCN1Cc2ncccn2 270004a_100020605311_100011532527 [0,0,0,1,0,1|2,0,0]=4 16638 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [0,0,0,1,0,1|2,0,0]=4 16639 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [0,0,0,1,0,1|2,0,0]=4 16640 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [0,0,0,1,0,1|2,0,0]=4 16641 B14R2.31 CC1CCN1CCc2ccccc2 269982a_100000755817_100000765856 [0,0,0,1,0,1|2,0,0]=4 16642 B14R2.31 CC1CCN1CCc2ccccc2 34a_100000755817_100000765856 [0,0,0,1,0,1|2,0,0]=4 16643 B14R2.31 CC1CCN1CCc2ccccn2 269982a_100000755817_100015183660 [0,0,0,1,0,1|2,0,0]=4 16644 B14R2.31 CC1CCN1CCc2cccnc2 269982a_100000755817_200011713674 [0,0,0,1,0,1|2,0,0]=4 16645 B14R2.31 CC1CCN1CCc2ccncc2 269982a_100000755817_100000723409 [0,0,0,1,0,1|2,0,0]=4 16646 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210303 [0,0,0,1,0,1|2,0,0]=4 16647 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210303 [0,0,0,1,0,1|2,0,0]=4 16648 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210303 [0,0,0,1,0,1|2,0,0]=4 16649 B14R2.35 CCCN1CCC1c2ccccc2 2230a_100000739605_100000210303 [0,0,0,1,0,1|2,0,0]=4 16650 B14R2.35 CCCN1CCC1c2ccccc2 269982a_100000739605_100000210303 [0,0,0,1,0,1|2,0,0]=4 16651 B14R2.49 CC1CC1COCc2ccccc2 34a_100000744939_100015291786 [0,0,0,1,0,1|2,0,0]=4 16652 B14R2.49 CC1CC1COCc2ccccc2 7a_100000744939_100000211182 [0,0,0,1,0,1|2,0,0]=4 16653 B14R2.49 CC1CC1COCc2ccccn2 34a_100000744939_100000721315 [0,0,0,1,0,1|2,0,0]=4 16654 B14R2.49 CC1CC1COCc2ccccn2 7a_100000744939_100000721315 [0,0,0,1,0,1|2,0,0]=4 16655 B14R2.49 CC1CC1COCc2cccnc2 34a_100000744939_100000733263 [0,0,0,1,0,1|2,0,0]=4 16656 B14R2.49 CC1CC1COCc2cccnc2 7a_100000744939_100000741622 [0,0,0,1,0,1|2,0,0]=4 16657 B14R2.49 CC1CC1COCc2cccnn2 34a_100000744939_100016990269 [0,0,0,1,0,1|2,0,0]=4 16658 B14R2.49 CC1CC1COCc2cccnn2 7a_100000744939_100016990269 [0,0,0,1,0,1|2,0,0]=4 16659 B14R2.49 CC1CC1COCc2ccncc2 7a_100000744939_100015193705 [0,0,0,1,0,1|2,0,0]=4 16660 B14R2.49 CC1CC1COCc2cnccn2 34a_100000744939_100016995436 [0,0,0,1,0,1|2,0,0]=4 16661 B14R2.49 CC1CC1COCc2cnccn2 7a_100000744939_100016995436 [0,0,0,1,0,1|2,0,0]=4 16662 B14R2.49 CC1CC1COCc2ncccn2 34a_100000744939_100000703007 [0,0,0,1,0,1|2,0,0]=4 16663 B14R2.49 CC1CC1COCc2ncccn2 7a_100000744939_100000703007 [0,0,0,1,0,1|2,0,0]=4 16664 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [0,0,0,1,0,1|2,0,0]=4 16665 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [0,0,0,1,0,1|2,0,0]=4 16666 B14R2.66 CCOCC1CC1c2ccccc2 34a_100011997005_100000210202 [0,0,0,1,0,1|2,0,0]=4 16667 B14R2.66 CCOCC1CC1c2ccccc2 7a_100011997005_100000210202 [0,0,0,1,0,1|2,0,0]=4 16668 B14R2.101 c1cc(ccn1)CCN2CCCC2 2230a_100000188435_100000723409 [0,0,0,1,0,1|2,0,0]=4 16669 B14R2.101 c1cc(ccn1)CCN2CCCC2 269982a_100000188435_100000723409 [0,0,0,1,0,1|2,0,0]=4 16670 B14R2.101 c1cc(ccn1)CNC2CCCC2 207a_100000211070_100000186114 [0,0,0,1,0,1|2,0,0]=4 16671 B14R2.101 c1cc(ccn1)CNC2CCCC2 2230a_100000211070_100015193705 [0,0,0,1,0,1|2,0,0]=4 16672 B14R2.101 c1cc(ccn1)COC2CCCC2 7a_100000210269_100015193705 [0,0,0,1,0,1|2,0,0]=4 16673 B14R2.101 c1cc(ccn1)CSC2CCCC2 62a_100011217020_100015193705 [0,0,0,1,0,1|2,0,0]=4 16674 B14R2.101 c1cc(ccn1)CSC2CCCC2 62a_100015193705_100000179811 [0,0,0,1,0,1|2,0,0]=4 16675 B14R2.101 c1cc(ccn1)OCC2CCCC2 34a_100000212176_100000740388 [0,0,0,1,0,1|2,0,0]=4 16676 B14R2.101 c1cc(ccn1)SCC2CCCC2 62a_100000728582_100000740388 [0,0,0,1,0,1|2,0,0]=4 16677 B14R2.101 c1cc(ccn1)SCC2CCCC2 62a_100000740388_100000728582 [0,0,0,1,0,1|2,0,0]=4 16678 B14R2.101 c1cc(ncn1)NCC2CCCC2 27a_100000737975_100000703185 [0,0,0,1,0,1|2,0,0]=4 16679 B14R2.101 c1cc(ncn1)SCC2CCCC2 62a_100000703185_100000740388 [0,0,0,1,0,1|2,0,0]=4 16680 B14R2.101 c1cc(ncn1)SCC2CCCC2 62a_100000740388_100000703185 [0,0,0,1,0,1|2,0,0]=4 16681 B14R2.101 c1ccc(cc1)CCN2CCCC2 2230a_100000188435_100000765856 [0,0,0,1,0,1|2,0,0]=4 16682 B14R2.101 c1ccc(cc1)CCN2CCCC2 269982a_100000188435_100000765856 [0,0,0,1,0,1|2,0,0]=4 16683 B14R2.101 c1ccc(cc1)CNC2CCCC2 207a_100000211070_100015611070 [0,0,0,1,0,1|2,0,0]=4 16684 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100000211070_100015291786 [0,0,0,1,0,1|2,0,0]=4 16685 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100015324214_100000179811 [0,0,0,1,0,1|2,0,0]=4 16686 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100000211070_100015611070 [0,0,0,1,0,1|2,0,0]=4 16687 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100015324214_100000210133 [0,0,0,1,0,1|2,0,0]=4 16688 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100000211070_100015291786 [0,0,0,1,0,1|2,0,0]=4 16689 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100015324214_100000179811 [0,0,0,1,0,1|2,0,0]=4 16690 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210269_100015291786 [0,0,0,1,0,1|2,0,0]=4 16691 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210790_100000179811 [0,0,0,1,0,1|2,0,0]=4 16692 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210269_100000211182 [0,0,0,1,0,1|2,0,0]=4 16693 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210790_100000179811 [0,0,0,1,0,1|2,0,0]=4 16694 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100000211182_100000179811 [0,0,0,1,0,1|2,0,0]=4 16695 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100011217020_100015291786 [0,0,0,1,0,1|2,0,0]=4 16696 B14R2.101 c1ccc(cc1)NCC2CCCC2 34a_100000106764_100000740388 [0,0,0,1,0,1|2,0,0]=4 16697 B14R2.101 c1ccc(cc1)OCC2CCCC2 34a_100000210340_100000740388 [0,0,0,1,0,1|2,0,0]=4 16698 B14R2.101 c1ccc(cc1)OCC2CCCC2 7a_100000210340_100000740388 [0,0,0,1,0,1|2,0,0]=4 16699 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000719477_100000740388 [0,0,0,1,0,1|2,0,0]=4 16700 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000740388_100000041952 [0,0,0,1,0,1|2,0,0]=4 16701 B14R2.101 c1ccc(nc1)CCN2CCCC2 2230a_100000188435_100015183660 [0,0,0,1,0,1|2,0,0]=4 16702 B14R2.101 c1ccc(nc1)CCN2CCCC2 269982a_100000188435_100015183660 [0,0,0,1,0,1|2,0,0]=4 16703 B14R2.101 c1ccc(nc1)CNC2CCCC2 207a_100000211070_100000209966 [0,0,0,1,0,1|2,0,0]=4 16704 B14R2.101 c1ccc(nc1)CNC2CCCC2 2230a_100000211070_100000721315 [0,0,0,1,0,1|2,0,0]=4 16705 B14R2.101 c1ccc(nc1)CNC2CCCC2 270004a_100000210449_100000210133 [0,0,0,1,0,1|2,0,0]=4 16706 B14R2.101 c1ccc(nc1)CNC2CCCC2 270004a_100000211070_100000209966 [0,0,0,1,0,1|2,0,0]=4 16707 B14R2.101 c1ccc(nc1)CNC2CCCC2 34a_100000211070_100000721315 [0,0,0,1,0,1|2,0,0]=4 16708 B14R2.101 c1ccc(nc1)COC2CCCC2 34a_100000210269_100000721315 [0,0,0,1,0,1|2,0,0]=4 16709 B14R2.101 c1ccc(nc1)COC2CCCC2 7a_100000210269_100000721315 [0,0,0,1,0,1|2,0,0]=4 16710 B14R2.101 c1ccc(nc1)CSC2CCCC2 62a_100000721315_100000179811 [0,0,0,1,0,1|2,0,0]=4 16711 B14R2.101 c1ccc(nc1)CSC2CCCC2 62a_100011217020_100000721315 [0,0,0,1,0,1|2,0,0]=4 16712 B14R2.101 c1ccc(nc1)SCC2CCCC2 62a_100000740388_100011216584 [0,0,0,1,0,1|2,0,0]=4 16713 B14R2.101 c1ccc(nc1)SCC2CCCC2 62a_100011216584_100000740388 [0,0,0,1,0,1|2,0,0]=4 16714 B14R2.101 c1cnc(cn1)CNC2CCCC2 2230a_100000211070_100016995436 [0,0,0,1,0,1|2,0,0]=4 16715 B14R2.101 c1cnc(cn1)CNC2CCCC2 270004a_100000211070_100000749867 [0,0,0,1,0,1|2,0,0]=4 16716 B14R2.101 c1cnc(cn1)CNC2CCCC2 34a_100000211070_100016995436 [0,0,0,1,0,1|2,0,0]=4 16717 B14R2.101 c1cnc(cn1)COC2CCCC2 34a_100000210269_100016995436 [0,0,0,1,0,1|2,0,0]=4 16718 B14R2.101 c1cnc(cn1)COC2CCCC2 7a_100000210269_100016995436 [0,0,0,1,0,1|2,0,0]=4 16719 B14R2.101 c1cnc(cn1)CSC2CCCC2 62a_100011217020_100016995436 [0,0,0,1,0,1|2,0,0]=4 16720 B14R2.101 c1cnc(cn1)CSC2CCCC2 62a_100016995436_100000179811 [0,0,0,1,0,1|2,0,0]=4 16721 B14R2.101 c1cnc(cn1)NCC2CCCC2 27a_100000737975_100000211759 [0,0,0,1,0,1|2,0,0]=4 16722 B14R2.101 c1cnc(cn1)SCC2CCCC2 62a_100000211759_100000740388 [0,0,0,1,0,1|2,0,0]=4 16723 B14R2.101 c1cnc(cn1)SCC2CCCC2 62a_100000740388_100000211759 [0,0,0,1,0,1|2,0,0]=4 16724 B14R2.101 c1cnc(nc1)CNC2CCCC2 2230a_100000211070_100000703007 [0,0,0,1,0,1|2,0,0]=4 16725 B14R2.101 c1cnc(nc1)CNC2CCCC2 270004a_100000211070_100011532527 [0,0,0,1,0,1|2,0,0]=4 16726 B14R2.101 c1cnc(nc1)CNC2CCCC2 34a_100000211070_100000703007 [0,0,0,1,0,1|2,0,0]=4 16727 B14R2.101 c1cnc(nc1)COC2CCCC2 34a_100000210269_100000703007 [0,0,0,1,0,1|2,0,0]=4 16728 B14R2.101 c1cnc(nc1)COC2CCCC2 7a_100000210269_100000703007 [0,0,0,1,0,1|2,0,0]=4 16729 B14R2.101 c1cnc(nc1)CSC2CCCC2 62a_100000703007_100000179811 [0,0,0,1,0,1|2,0,0]=4 16730 B14R2.101 c1cnc(nc1)CSC2CCCC2 62a_100011217020_100000703007 [0,0,0,1,0,1|2,0,0]=4 16731 B14R2.101 c1cnc(nc1)NCC2CCCC2 27a_100000737975_100000211032 [0,0,0,1,0,1|2,0,0]=4 16732 B14R2.101 c1cnc(nc1)SCC2CCCC2 62a_100000211032_100000740388 [0,0,0,1,0,1|2,0,0]=4 16733 B14R2.101 c1cnc(nc1)SCC2CCCC2 62a_100000740388_100000211032 [0,0,0,1,0,1|2,0,0]=4 16734 B14R2.101 c1cncc(c1)CCN2CCCC2 2230a_100000188435_200011713674 [0,0,0,1,0,1|2,0,0]=4 16735 B14R2.101 c1cncc(c1)CCN2CCCC2 269982a_100000188435_200011713674 [0,0,0,1,0,1|2,0,0]=4 16736 B14R2.101 c1cncc(c1)CNC2CCCC2 207a_100000211070_100000209961 [0,0,0,1,0,1|2,0,0]=4 16737 B14R2.101 c1cncc(c1)CNC2CCCC2 2230a_100000211070_100000741622 [0,0,0,1,0,1|2,0,0]=4 16738 B14R2.101 c1cncc(c1)CNC2CCCC2 270004a_100000210453_100000210133 [0,0,0,1,0,1|2,0,0]=4 16739 B14R2.101 c1cncc(c1)CNC2CCCC2 270004a_100000211070_100000209961 [0,0,0,1,0,1|2,0,0]=4 16740 B14R2.101 c1cncc(c1)CNC2CCCC2 34a_100000211070_100000733263 [0,0,0,1,0,1|2,0,0]=4 16741 B14R2.101 c1cncc(c1)COC2CCCC2 34a_100000210269_100000733263 [0,0,0,1,0,1|2,0,0]=4 16742 B14R2.101 c1cncc(c1)COC2CCCC2 7a_100000210269_100000741622 [0,0,0,1,0,1|2,0,0]=4 16743 B14R2.101 c1cncc(c1)CSC2CCCC2 62a_100000741622_100000179811 [0,0,0,1,0,1|2,0,0]=4 16744 B14R2.101 c1cncc(c1)CSC2CCCC2 62a_100011217020_100000741622 [0,0,0,1,0,1|2,0,0]=4 16745 B14R2.101 c1cncc(c1)OCC2CCCC2 34a_100000210849_100000740388 [0,0,0,1,0,1|2,0,0]=4 16746 B14R2.101 c1cncc(c1)OCC2CCCC2 7a_100000210849_100000740388 [0,0,0,1,0,1|2,0,0]=4 16747 B14R2.101 c1cncc(c1)SCC2CCCC2 62a_100000210063_100000740388 [0,0,0,1,0,1|2,0,0]=4 16748 B14R2.101 c1cncc(c1)SCC2CCCC2 62a_100000740388_100000210063 [0,0,0,1,0,1|2,0,0]=4 16749 B14R2.101 c1cnnc(c1)CNC2CCCC2 2230a_100000211070_100016990269 [0,0,0,1,0,1|2,0,0]=4 16750 B14R2.101 c1cnnc(c1)CNC2CCCC2 2230a_100159270163_100000179811 [0,0,0,1,0,1|2,0,0]=4 16751 B14R2.101 c1cnnc(c1)CNC2CCCC2 34a_100000211070_100016990269 [0,0,0,1,0,1|2,0,0]=4 16752 B14R2.101 c1cnnc(c1)COC2CCCC2 34a_100000210269_100016990269 [0,0,0,1,0,1|2,0,0]=4 16753 B14R2.101 c1cnnc(c1)COC2CCCC2 7a_100000210269_100016990269 [0,0,0,1,0,1|2,0,0]=4 16754 B14R2.101 c1cnnc(c1)CSC2CCCC2 62a_100011217020_100016990269 [0,0,0,1,0,1|2,0,0]=4 16755 B14R2.101 c1cnnc(c1)CSC2CCCC2 62a_100016990269_100000179811 [0,0,0,1,0,1|2,0,0]=4 16756 B14R2.101 c1cnnc(c1)NCC2CCCC2 27a_100000737975_100016991348 [0,0,0,1,0,1|2,0,0]=4 16757 B14R2.101 c1cnnc(c1)SCC2CCCC2 62a_100000740388_100016991348 [0,0,0,1,0,1|2,0,0]=4 16758 B14R2.101 c1cnnc(c1)SCC2CCCC2 62a_100016991348_100000740388 [0,0,0,1,0,1|2,0,0]=4 16759 B14R2.1253 c1cc(ncn1)N2CCCCCC2 27a_100000185865_100000703185 [0,0,0,1,0,1|2,0,0]=4 16760 B14R2.1253 c1cnc(cn1)N2CCCCCC2 27a_100000185865_100000211759 [0,0,0,1,0,1|2,0,0]=4 16761 B14R2.1253 c1cnc(nc1)N2CCCCCC2 27a_100000185865_100000211032 [0,0,0,1,0,1|2,0,0]=4 16762 B14R2.1253 c1cnnc(c1)N2CCCCCC2 27a_100000185865_100016991348 [0,0,0,1,0,1|2,0,0]=4 16763 B14R2.2014 CNC1CCCCc2c1cccc2 269862a_106832991636_100000184060 [0,0,0,1,0,1|2,0,0]=4 16764 B14R2.3018 C1=CCC(=CC1)CCCOC2CC2 34a_100020667889_100000211595 [0,0,0,1,0,1|2,0,0]=4 16765 B14R2.3018 c1cc(ccn1)CCCOC2CC2 34a_100000210659_100000211595 [0,0,0,1,0,1|2,0,0]=4 16766 B14R2.3018 c1cc(ccn1)CCNCC2CC2 2230a_100000735609_100000723409 [0,0,0,1,0,1|2,0,0]=4 16767 B14R2.3018 c1cc(ccn1)CCNCC2CC2 269862a_100000742849_100000741477 [0,0,0,1,0,1|2,0,0]=4 16768 B14R2.3018 c1cc(ccn1)CCOCC2CC2 34a_100011216225_100000742324 [0,0,0,1,0,1|2,0,0]=4 16769 B14R2.3018 c1cc(ccn1)CCSCC2CC2 62a_100000723409_100000742324 [0,0,0,1,0,1|2,0,0]=4 16770 B14R2.3018 c1cc(ccn1)CCSCC2CC2 62a_100000756562_100000723409 [0,0,0,1,0,1|2,0,0]=4 16771 B14R2.3018 c1cc(ccn1)CNCCC2CC2 207a_100000764129_100000186114 [0,0,0,1,0,1|2,0,0]=4 16772 B14R2.3018 c1cc(ccn1)COCCC2CC2 7a_100000754188_100015193705 [0,0,0,1,0,1|2,0,0]=4 16773 B14R2.3018 c1cc(ccn1)CSCCC2CC2 62a_100000764125_100015193705 [0,0,0,1,0,1|2,0,0]=4 16774 B14R2.3018 c1cc(ccn1)CSCCC2CC2 62a_100015193705_100000764125 [0,0,0,1,0,1|2,0,0]=4 16775 B14R2.3018 c1ccc(cc1)CCCNC2CC2 34a_100000211184_100000211595 [0,0,0,1,0,1|2,0,0]=4 16776 B14R2.3018 c1ccc(cc1)CCCNC2CC2 34a_100000212008_100000211621 [0,0,0,1,0,1|2,0,0]=4 16777 B14R2.3018 c1ccc(cc1)CCCOC2CC2 34a_100000210828_100000211595 [0,0,0,1,0,1|2,0,0]=4 16778 B14R2.3018 c1ccc(cc1)CCCSC2CC2 62a_100000211621_100000211595 [0,0,0,1,0,1|2,0,0]=4 16779 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000106460_100000742324 [0,0,0,1,0,1|2,0,0]=4 16780 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000735609_100000765856 [0,0,0,1,0,1|2,0,0]=4 16781 B14R2.3018 c1ccc(cc1)CCNCC2CC2 269862a_100000106460_100000741477 [0,0,0,1,0,1|2,0,0]=4 16782 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000106460_100000742324 [0,0,0,1,0,1|2,0,0]=4 16783 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000735609_100000765856 [0,0,0,1,0,1|2,0,0]=4 16784 B14R2.3018 c1ccc(cc1)CCOCC2CC2 34a_100000210268_100000742324 [0,0,0,1,0,1|2,0,0]=4 16785 B14R2.3018 c1ccc(cc1)CCOCC2CC2 34a_100000211283_100000765856 [0,0,0,1,0,1|2,0,0]=4 16786 B14R2.3018 c1ccc(cc1)CCOCC2CC2 7a_100000210268_100000742324 [0,0,0,1,0,1|2,0,0]=4 16787 B14R2.3018 c1ccc(cc1)CCSCC2CC2 62a_100000756562_100011218657 [0,0,0,1,0,1|2,0,0]=4 16788 B14R2.3018 c1ccc(cc1)CCSCC2CC2 62a_100000765856_100000742324 [0,0,0,1,0,1|2,0,0]=4 16789 B14R2.3018 c1ccc(cc1)CNCCC2CC2 207a_100000764129_100015611070 [0,0,0,1,0,1|2,0,0]=4 16790 B14R2.3018 c1ccc(cc1)CNCCC2CC2 2230a_100015324214_100000694398 [0,0,0,1,0,1|2,0,0]=4 16791 B14R2.3018 c1ccc(cc1)CNCCC2CC2 270004a_100000764129_100015611070 [0,0,0,1,0,1|2,0,0]=4 16792 B14R2.3018 c1ccc(cc1)CNCCC2CC2 34a_100000764129_100015291786 [0,0,0,1,0,1|2,0,0]=4 16793 B14R2.3018 c1ccc(cc1)CNCCC2CC2 34a_100015324214_100000694398 [0,0,0,1,0,1|2,0,0]=4 16794 B14R2.3018 c1ccc(cc1)COCCC2CC2 34a_100000210790_100000694398 [0,0,0,1,0,1|2,0,0]=4 16795 B14R2.3018 c1ccc(cc1)COCCC2CC2 34a_100000754188_100015291786 [0,0,0,1,0,1|2,0,0]=4 16796 B14R2.3018 c1ccc(cc1)COCCC2CC2 7a_100000210790_100000764125 [0,0,0,1,0,1|2,0,0]=4 16797 B14R2.3018 c1ccc(cc1)COCCC2CC2 7a_100000754188_100000211182 [0,0,0,1,0,1|2,0,0]=4 16798 B14R2.3018 c1ccc(cc1)CSCCC2CC2 62a_100000211182_100000764125 [0,0,0,1,0,1|2,0,0]=4 16799 B14R2.3018 c1ccc(cc1)CSCCC2CC2 62a_100000764125_100015291786 [0,0,0,1,0,1|2,0,0]=4 16800 B14R2.3018 c1ccc(nc1)CCCOC2CC2 34a_100011215068_100000211595 [0,0,0,1,0,1|2,0,0]=4 16801 B14R2.3018 c1ccc(nc1)CCNCC2CC2 2230a_100000735609_100015183660 [0,0,0,1,0,1|2,0,0]=4 16802 B14R2.3018 c1ccc(nc1)CCNCC2CC2 269862a_100000211156_100000741477 [0,0,0,1,0,1|2,0,0]=4 16803 B14R2.3018 c1ccc(nc1)CCOCC2CC2 34a_100000210271_100000742324 [0,0,0,1,0,1|2,0,0]=4 16804 B14R2.3018 c1ccc(nc1)CCSCC2CC2 62a_100000756562_100015183660 [0,0,0,1,0,1|2,0,0]=4 16805 B14R2.3018 c1ccc(nc1)CCSCC2CC2 62a_100015183660_100000742324 [0,0,0,1,0,1|2,0,0]=4 16806 B14R2.3018 c1ccc(nc1)CNCCC2CC2 207a_100000764129_100000209966 [0,0,0,1,0,1|2,0,0]=4 16807 B14R2.3018 c1ccc(nc1)CNCCC2CC2 270004a_100000764129_100000209966 [0,0,0,1,0,1|2,0,0]=4 16808 B14R2.3018 c1ccc(nc1)CNCCC2CC2 34a_100000764129_100000721315 [0,0,0,1,0,1|2,0,0]=4 16809 B14R2.3018 c1ccc(nc1)COCCC2CC2 34a_100000754188_100000721315 [0,0,0,1,0,1|2,0,0]=4 16810 B14R2.3018 c1ccc(nc1)COCCC2CC2 7a_100000754188_100000721315 [0,0,0,1,0,1|2,0,0]=4 16811 B14R2.3018 c1ccc(nc1)CSCCC2CC2 62a_100000721315_100000764125 [0,0,0,1,0,1|2,0,0]=4 16812 B14R2.3018 c1ccc(nc1)CSCCC2CC2 62a_100000764125_100000721315 [0,0,0,1,0,1|2,0,0]=4 16813 B14R2.3018 c1cnc(cn1)CCNCC2CC2 269862a_100000723456_100000741477 [0,0,0,1,0,1|2,0,0]=4 16814 B14R2.3018 c1cnc(cn1)CCOCC2CC2 34a_100011349526_100000742324 [0,0,0,1,0,1|2,0,0]=4 16815 B14R2.3018 c1cnc(cn1)CNCCC2CC2 270004a_100000764129_100000749867 [0,0,0,1,0,1|2,0,0]=4 16816 B14R2.3018 c1cnc(cn1)CNCCC2CC2 34a_100000764129_100016995436 [0,0,0,1,0,1|2,0,0]=4 16817 B14R2.3018 c1cnc(cn1)COCCC2CC2 34a_100000754188_100016995436 [0,0,0,1,0,1|2,0,0]=4 16818 B14R2.3018 c1cnc(cn1)COCCC2CC2 7a_100000754188_100016995436 [0,0,0,1,0,1|2,0,0]=4 16819 B14R2.3018 c1cnc(cn1)CSCCC2CC2 62a_100000764125_100016995436 [0,0,0,1,0,1|2,0,0]=4 16820 B14R2.3018 c1cnc(cn1)CSCCC2CC2 62a_100016995436_100000764125 [0,0,0,1,0,1|2,0,0]=4 16821 B14R2.3018 c1cnc(nc1)CNCCC2CC2 270004a_100000764129_100011532527 [0,0,0,1,0,1|2,0,0]=4 16822 B14R2.3018 c1cnc(nc1)CNCCC2CC2 34a_100000764129_100000703007 [0,0,0,1,0,1|2,0,0]=4 16823 B14R2.3018 c1cnc(nc1)COCCC2CC2 34a_100000754188_100000703007 [0,0,0,1,0,1|2,0,0]=4 16824 B14R2.3018 c1cnc(nc1)COCCC2CC2 7a_100000754188_100000703007 [0,0,0,1,0,1|2,0,0]=4 16825 B14R2.3018 c1cnc(nc1)CSCCC2CC2 62a_100000703007_100000764125 [0,0,0,1,0,1|2,0,0]=4 16826 B14R2.3018 c1cnc(nc1)CSCCC2CC2 62a_100000764125_100000703007 [0,0,0,1,0,1|2,0,0]=4 16827 B14R2.3018 c1cncc(c1)CCCNC2CC2 34a_100011532358_100000211595 [0,0,0,1,0,1|2,0,0]=4 16828 B14R2.3018 c1cncc(c1)CCCOC2CC2 34a_100000211284_100000211595 [0,0,0,1,0,1|2,0,0]=4 16829 B14R2.3018 c1cncc(c1)CCNCC2CC2 2230a_100000735609_200011713674 [0,0,0,1,0,1|2,0,0]=4 16830 B14R2.3018 c1cncc(c1)CCNCC2CC2 2230a_100000736294_100000742324 [0,0,0,1,0,1|2,0,0]=4 16831 B14R2.3018 c1cncc(c1)CCNCC2CC2 269862a_100000736294_100000741477 [0,0,0,1,0,1|2,0,0]=4 16832 B14R2.3018 c1cncc(c1)CCOCC2CC2 34a_100011217484_100000742324 [0,0,0,1,0,1|2,0,0]=4 16833 B14R2.3018 c1cncc(c1)CCSCC2CC2 62a_100000756562_200011713674 [0,0,0,1,0,1|2,0,0]=4 16834 B14R2.3018 c1cncc(c1)CCSCC2CC2 62a_200011713674_100000742324 [0,0,0,1,0,1|2,0,0]=4 16835 B14R2.3018 c1cncc(c1)CNCCC2CC2 207a_100000764129_100000209961 [0,0,0,1,0,1|2,0,0]=4 16836 B14R2.3018 c1cncc(c1)CNCCC2CC2 270004a_100000764129_100000209961 [0,0,0,1,0,1|2,0,0]=4 16837 B14R2.3018 c1cncc(c1)CNCCC2CC2 34a_100000764129_100000733263 [0,0,0,1,0,1|2,0,0]=4 16838 B14R2.3018 c1cncc(c1)COCCC2CC2 34a_100000754188_100000733263 [0,0,0,1,0,1|2,0,0]=4 16839 B14R2.3018 c1cncc(c1)COCCC2CC2 7a_100000754188_100000741622 [0,0,0,1,0,1|2,0,0]=4 16840 B14R2.3018 c1cncc(c1)CSCCC2CC2 62a_100000741622_100000764125 [0,0,0,1,0,1|2,0,0]=4 16841 B14R2.3018 c1cncc(c1)CSCCC2CC2 62a_100000764125_100000741622 [0,0,0,1,0,1|2,0,0]=4 16842 B14R2.3018 c1cnnc(c1)CNCCC2CC2 2230a_100159270163_100000694398 [0,0,0,1,0,1|2,0,0]=4 16843 B14R2.3018 c1cnnc(c1)CNCCC2CC2 34a_100000764129_100016990269 [0,0,0,1,0,1|2,0,0]=4 16844 B14R2.3018 c1cnnc(c1)COCCC2CC2 34a_100000754188_100016990269 [0,0,0,1,0,1|2,0,0]=4 16845 B14R2.3018 c1cnnc(c1)COCCC2CC2 7a_100000754188_100016990269 [0,0,0,1,0,1|2,0,0]=4 16846 B14R2.3018 c1cnnc(c1)CSCCC2CC2 62a_100000764125_100016990269 [0,0,0,1,0,1|2,0,0]=4 16847 B14R2.3018 c1cnnc(c1)CSCCC2CC2 62a_100016990269_100000764125 [0,0,0,1,0,1|2,0,0]=4 16848 B14R2.3019 c1cc(ccn1)CCNC2CCC2 2230a_100000749019_100000723409 [0,0,0,1,0,1|2,0,0]=4 16849 B14R2.3019 c1cc(ccn1)CCNC2CCC2 270004a_100000742849_100000241760 [0,0,0,1,0,1|2,0,0]=4 16850 B14R2.3019 c1cc(ccn1)CCOC2CCC2 34a_100011216225_100000749161 [0,0,0,1,0,1|2,0,0]=4 16851 B14R2.3019 c1cc(ccn1)CCSC2CCC2 62a_100000723409_100000749161 [0,0,0,1,0,1|2,0,0]=4 16852 B14R2.3019 c1cc(ccn1)CNCC2CCC2 207a_100000738700_100000186114 [0,0,0,1,0,1|2,0,0]=4 16853 B14R2.3019 c1cc(ccn1)CNCC2CCC2 2230a_100000738700_100015193705 [0,0,0,1,0,1|2,0,0]=4 16854 B14R2.3019 c1cc(ccn1)CNCC2CCC2 269862a_100000210450_100000753134 [0,0,0,1,0,1|2,0,0]=4 16855 B14R2.3019 c1cc(ccn1)CSCC2CCC2 62a_100000763275_100015193705 [0,0,0,1,0,1|2,0,0]=4 16856 B14R2.3019 c1cc(ccn1)CSCC2CCC2 62a_100015193705_100000763275 [0,0,0,1,0,1|2,0,0]=4 16857 B14R2.3019 c1ccc(cc1)CCCN2CCC2 269982a_100000754969_100000211621 [0,0,0,1,0,1|2,0,0]=4 16858 B14R2.3019 c1ccc(cc1)CCNC2CCC2 2230a_100000749019_100000765856 [0,0,0,1,0,1|2,0,0]=4 16859 B14R2.3019 c1ccc(cc1)CCNC2CCC2 270004a_100000106460_100000241760 [0,0,0,1,0,1|2,0,0]=4 16860 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000106460_100000749161 [0,0,0,1,0,1|2,0,0]=4 16861 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000749019_100000765856 [0,0,0,1,0,1|2,0,0]=4 16862 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000210268_100000749161 [0,0,0,1,0,1|2,0,0]=4 16863 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000748187_100000765856 [0,0,0,1,0,1|2,0,0]=4 16864 B14R2.3019 c1ccc(cc1)CCSC2CCC2 62a_100000765856_100000749161 [0,0,0,1,0,1|2,0,0]=4 16865 B14R2.3019 c1ccc(cc1)CNCC2CCC2 207a_100000738700_100015611070 [0,0,0,1,0,1|2,0,0]=4 16866 B14R2.3019 c1ccc(cc1)CNCC2CCC2 2230a_100000738700_100015291786 [0,0,0,1,0,1|2,0,0]=4 16867 B14R2.3019 c1ccc(cc1)CNCC2CCC2 2230a_100015324214_100000763275 [0,0,0,1,0,1|2,0,0]=4 16868 B14R2.3019 c1ccc(cc1)CNCC2CCC2 269862a_100015324214_100000753134 [0,0,0,1,0,1|2,0,0]=4 16869 B14R2.3019 c1ccc(cc1)CNCC2CCC2 270004a_100000738700_100015611070 [0,0,0,1,0,1|2,0,0]=4 16870 B14R2.3019 c1ccc(cc1)CNCC2CCC2 34a_100000738700_100015291786 [0,0,0,1,0,1|2,0,0]=4 16871 B14R2.3019 c1ccc(cc1)CNCC2CCC2 34a_100015324214_100000763275 [0,0,0,1,0,1|2,0,0]=4 16872 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000210790_100000763275 [0,0,0,1,0,1|2,0,0]=4 16873 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000760304_100015291786 [0,0,0,1,0,1|2,0,0]=4 16874 B14R2.3019 c1ccc(cc1)COCC2CCC2 7a_100000210790_100000763275 [0,0,0,1,0,1|2,0,0]=4 16875 B14R2.3019 c1ccc(cc1)CSCC2CCC2 62a_100000211182_100000763275 [0,0,0,1,0,1|2,0,0]=4 16876 B14R2.3019 c1ccc(cc1)CSCC2CCC2 62a_100000763275_100015291786 [0,0,0,1,0,1|2,0,0]=4 16877 B14R2.3019 c1ccc(nc1)CCNC2CCC2 2230a_100000749019_100015183660 [0,0,0,1,0,1|2,0,0]=4 16878 B14R2.3019 c1ccc(nc1)CCNC2CCC2 270004a_100000211156_100000241760 [0,0,0,1,0,1|2,0,0]=4 16879 B14R2.3019 c1ccc(nc1)CCOC2CCC2 34a_100000210271_100000749161 [0,0,0,1,0,1|2,0,0]=4 16880 B14R2.3019 c1ccc(nc1)CCSC2CCC2 62a_100015183660_100000749161 [0,0,0,1,0,1|2,0,0]=4 16881 B14R2.3019 c1ccc(nc1)CNCC2CCC2 207a_100000738700_100000209966 [0,0,0,1,0,1|2,0,0]=4 16882 B14R2.3019 c1ccc(nc1)CNCC2CCC2 2230a_100000738700_100000721315 [0,0,0,1,0,1|2,0,0]=4 16883 B14R2.3019 c1ccc(nc1)CNCC2CCC2 270004a_100000738700_100000209966 [0,0,0,1,0,1|2,0,0]=4 16884 B14R2.3019 c1ccc(nc1)CNCC2CCC2 34a_100000738700_100000721315 [0,0,0,1,0,1|2,0,0]=4 16885 B14R2.3019 c1ccc(nc1)COCC2CCC2 34a_100000760304_100000721315 [0,0,0,1,0,1|2,0,0]=4 16886 B14R2.3019 c1ccc(nc1)CSCC2CCC2 62a_100000721315_100000763275 [0,0,0,1,0,1|2,0,0]=4 16887 B14R2.3019 c1ccc(nc1)CSCC2CCC2 62a_100000763275_100000721315 [0,0,0,1,0,1|2,0,0]=4 16888 B14R2.3019 c1cnc(cn1)CCNC2CCC2 270004a_100000723456_100000241760 [0,0,0,1,0,1|2,0,0]=4 16889 B14R2.3019 c1cnc(cn1)CCOC2CCC2 34a_100011349526_100000749161 [0,0,0,1,0,1|2,0,0]=4 16890 B14R2.3019 c1cnc(cn1)CNCC2CCC2 2230a_100000738700_100016995436 [0,0,0,1,0,1|2,0,0]=4 16891 B14R2.3019 c1cnc(cn1)CNCC2CCC2 270004a_100000738700_100000749867 [0,0,0,1,0,1|2,0,0]=4 16892 B14R2.3019 c1cnc(cn1)CNCC2CCC2 34a_100000738700_100016995436 [0,0,0,1,0,1|2,0,0]=4 16893 B14R2.3019 c1cnc(cn1)COCC2CCC2 34a_100000760304_100016995436 [0,0,0,1,0,1|2,0,0]=4 16894 B14R2.3019 c1cnc(cn1)CSCC2CCC2 62a_100000763275_100016995436 [0,0,0,1,0,1|2,0,0]=4 16895 B14R2.3019 c1cnc(cn1)CSCC2CCC2 62a_100016995436_100000763275 [0,0,0,1,0,1|2,0,0]=4 16896 B14R2.3019 c1cnc(nc1)CNCC2CCC2 2230a_100000738700_100000703007 [0,0,0,1,0,1|2,0,0]=4 16897 B14R2.3019 c1cnc(nc1)CNCC2CCC2 270004a_100000738700_100011532527 [0,0,0,1,0,1|2,0,0]=4 16898 B14R2.3019 c1cnc(nc1)CNCC2CCC2 34a_100000738700_100000703007 [0,0,0,1,0,1|2,0,0]=4 16899 B14R2.3019 c1cnc(nc1)COCC2CCC2 34a_100000760304_100000703007 [0,0,0,1,0,1|2,0,0]=4 16900 B14R2.3019 c1cnc(nc1)CSCC2CCC2 62a_100000703007_100000763275 [0,0,0,1,0,1|2,0,0]=4 16901 B14R2.3019 c1cnc(nc1)CSCC2CCC2 62a_100000763275_100000703007 [0,0,0,1,0,1|2,0,0]=4 16902 B14R2.3019 c1cncc(c1)CCNC2CCC2 2230a_100000749019_200011713674 [0,0,0,1,0,1|2,0,0]=4 16903 B14R2.3019 c1cncc(c1)CCNC2CCC2 270004a_100000736294_100000241760 [0,0,0,1,0,1|2,0,0]=4 16904 B14R2.3019 c1cncc(c1)CCOC2CCC2 34a_100011217484_100000749161 [0,0,0,1,0,1|2,0,0]=4 16905 B14R2.3019 c1cncc(c1)CCSC2CCC2 62a_200011713674_100000749161 [0,0,0,1,0,1|2,0,0]=4 16906 B14R2.3019 c1cncc(c1)CNCC2CCC2 207a_100000738700_100000209961 [0,0,0,1,0,1|2,0,0]=4 16907 B14R2.3019 c1cncc(c1)CNCC2CCC2 2230a_100000738700_100000741622 [0,0,0,1,0,1|2,0,0]=4 16908 B14R2.3019 c1cncc(c1)CNCC2CCC2 269862a_100000210453_100000753134 [0,0,0,1,0,1|2,0,0]=4 16909 B14R2.3019 c1cncc(c1)CNCC2CCC2 270004a_100000738700_100000209961 [0,0,0,1,0,1|2,0,0]=4 16910 B14R2.3019 c1cncc(c1)CNCC2CCC2 34a_100000738700_100000733263 [0,0,0,1,0,1|2,0,0]=4 16911 B14R2.3019 c1cncc(c1)COCC2CCC2 34a_100000760304_100000733263 [0,0,0,1,0,1|2,0,0]=4 16912 B14R2.3019 c1cncc(c1)CSCC2CCC2 62a_100000741622_100000763275 [0,0,0,1,0,1|2,0,0]=4 16913 B14R2.3019 c1cncc(c1)CSCC2CCC2 62a_100000763275_100000741622 [0,0,0,1,0,1|2,0,0]=4 16914 B14R2.3019 c1cnnc(c1)CNCC2CCC2 2230a_100000738700_100016990269 [0,0,0,1,0,1|2,0,0]=4 16915 B14R2.3019 c1cnnc(c1)CNCC2CCC2 2230a_100159270163_100000763275 [0,0,0,1,0,1|2,0,0]=4 16916 B14R2.3019 c1cnnc(c1)CNCC2CCC2 269862a_100159270163_100000753134 [0,0,0,1,0,1|2,0,0]=4 16917 B14R2.3019 c1cnnc(c1)CNCC2CCC2 34a_100000738700_100016990269 [0,0,0,1,0,1|2,0,0]=4 16918 B14R2.3019 c1cnnc(c1)COCC2CCC2 34a_100000760304_100016990269 [0,0,0,1,0,1|2,0,0]=4 16919 B14R2.3019 c1cnnc(c1)CSCC2CCC2 62a_100000763275_100016990269 [0,0,0,1,0,1|2,0,0]=4 16920 B14R2.3019 c1cnnc(c1)CSCC2CCC2 62a_100016990269_100000763275 [0,0,0,1,0,1|2,0,0]=4 16921 B14R2.7150 CCNC1CCCc2c1cccc2 269862a_100015525214_100000210882 [0,0,0,1,0,1|2,0,0]=4 16922 B14R2.7150 CCNC1CCCc2c1cccn2 269862a_100015525214_100000058033 [0,0,0,1,0,1|2,0,0]=4 16923 B14R2.7150 CCNC1CCCc2c1ccnc2 2230a_100020634316_100000210202 [0,0,0,1,0,1|2,0,0]=4 16924 B14R2.7150 CCNC1CCCc2c1ccnc2 269862a_100015525214_100000087567 [0,0,0,1,0,1|2,0,0]=4 16925 B14R2.7150 CCNC1CCCc2c1cncc2 269862a_100015525214_100016991936 [0,0,0,1,0,1|2,0,0]=4 16926 B14R2.7150 CCNC1CCCc2c1nccc2 2230a_100011259139_100000210202 [0,0,0,1,0,1|2,0,0]=4 16927 B14R2.7150 CCNC1CCCc2c1nccc2 269862a_100015525214_100000067617 [0,0,0,1,0,1|2,0,0]=4 16928 B14R2.7150 CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210202 [0,0,0,1,0,1|2,0,0]=4 16929 B14R2.7150 CCOC1CCCc2c1cccc2 34a_100000183665_100000210202 [0,0,0,1,0,1|2,0,0]=4 16930 B14R2.7150 CCOC1CCCc2c1cccc2 7a_100000183665_100000210202 [0,0,0,1,0,1|2,0,0]=4 16931 B14R2.16538 CCCCNC1Cc2c1cccc2 7a_106832991798_100009813401 [0,0,0,1,0,1|2,0,0]=4 16932 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [0,0,0,1,0,1|2,0,0]=4 16933 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100000210211_100009813401 [0,0,0,1,0,1|2,0,0]=4 16934 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100009813401_100000210210 [0,0,0,1,0,1|2,0,0]=4 16935 B14R2.16538 CCCOCC1Cc2c1cccc2 34a_100012476685_100000210303 [0,0,0,1,0,1|2,0,0]=4 16936 B14R2.16538 CCCOCC1Cc2c1cccc2 7a_100012476685_100000210303 [0,0,0,1,0,1|2,0,0]=4 16937 B14R2.19 Brc1ccc(o1)CN2CCCOC2 270004a_100000131196_100000185145 [0,1,0,1,0,0|2,0,0]=4 16938 B14R2.19 Brc1ccc(o1)CN2CCOCC2 270004a_100015191051_100000185145 [0,1,0,1,0,0|2,0,0]=4 16939 B14R2.19 Brc1ccc(o1)CN2CCSCC2 270004a_100000737611_100000185145 [0,1,0,1,0,0|2,0,0]=4 16940 B14R2.19 Brc1ccc(s1)SC2CCCCC2 62a_100000210327_100010197418 [0,1,0,1,0,0|1,1,0]=4 16941 B14R2.19 Brc1ccc(s1)SC2CCCCC2 62a_100010197418_100000210327 [0,1,0,1,0,0|1,1,0]=4 16942 B14R2.19 Brc1coc(c1)CN2CCCOC2 270004a_100000131196_100000747035 [0,1,0,1,0,0|2,0,0]=4 16943 B14R2.19 Brc1coc(c1)CN2CCOCC2 270004a_100015191051_100000747035 [0,1,0,1,0,0|2,0,0]=4 16944 B14R2.19 Brc1coc(c1)CN2CCSCC2 270004a_100000737611_100000747035 [0,1,0,1,0,0|2,0,0]=4 16945 B14R2.19 Cc1ccc(o1)CN2CCCOC2 270004a_100000131196_100000183696 [0,1,0,1,0,0|2,0,0]=4 16946 B14R2.19 Cc1ccc(o1)CN2CCOCC2 270004a_100015191051_100000183696 [0,1,0,1,0,0|2,0,0]=4 16947 B14R2.19 Cc1ccc(o1)CN2CCSCC2 270004a_100000737611_100000183696 [0,1,0,1,0,0|2,0,0]=4 16948 B14R2.19 Cc1ccc(s1)SC2CCCCC2 62a_100000031368_100000210327 [0,1,0,1,0,0|1,1,0]=4 16949 B14R2.19 Cc1ccc(s1)SC2CCCCC2 62a_100000210327_100000031368 [0,1,0,1,0,0|1,1,0]=4 16950 B14R2.19 Cc1csc(c1)SC2CCCCC2 62a_100000210327_100009876951 [0,1,0,1,0,0|1,1,0]=4 16951 B14R2.19 Cc1csc(c1)SC2CCCCC2 62a_100009876951_100000210327 [0,1,0,1,0,0|1,1,0]=4 16952 B14R2.19 Cc1noc(n1)CC2CCCCC2 270196a_100000212224_100000211666 [0,1,0,1,0,0|2,0,0]=4 16953 B14R2.19 Clc1ccc(o1)CN2CCCOC2 270004a_100000131196_100000188459 [0,1,0,1,0,0|2,0,0]=4 16954 B14R2.19 Clc1ccc(o1)CN2CCOCC2 270004a_100015191051_100000188459 [0,1,0,1,0,0|2,0,0]=4 16955 B14R2.19 Clc1ccc(o1)CN2CCSCC2 270004a_100000737611_100000188459 [0,1,0,1,0,0|2,0,0]=4 16956 B14R2.97 CCN1CCCC1c2cc(no2)C 2230a_106430523522_100000210202 [0,1,0,1,0,0|2,0,0]=4 16957 B14R2.97 CCN1CCCC1c2cc(no2)C 269982a_106430523522_100000204670 [0,1,0,1,0,0|2,0,0]=4 16958 B14R2.97 CCN1CCCC1c2cc(no2)C 34a_106430523522_100000210202 [0,1,0,1,0,0|2,0,0]=4 16959 B14R2.97 CCN1CCCC1c2ccc(s2)Cl 2230a_106354213609_100000210202 [0,1,0,1,0,0|1,1,0]=4 16960 B14R2.97 CCN1CCCC1c2ccc(s2)Cl 269982a_106354213609_100000204670 [0,1,0,1,0,0|1,1,0]=4 16961 B14R2.252 Brc1c[nH]c(c1)CNC2CCCC2 270004a_100000211070_100000720742 [0,1,0,1,0,0|2,0,0]=4 16962 B14R2.252 Brc1cc(on1)CNC2CCCC2 2230a_100015193020_100000179811 [0,1,0,1,0,0|2,0,0]=4 16963 B14R2.252 Brc1cc(on1)CNC2CCCC2 270004a_100000211070_100009819588 [0,1,0,1,0,0|2,0,0]=4 16964 B14R2.252 Brc1cc(on1)CNC2CCCC2 34a_100015193020_100000179811 [0,1,0,1,0,0|2,0,0]=4 16965 B14R2.252 Brc1cc(on1)COC2CCCC2 34a_100009816691_100000179811 [0,1,0,1,0,0|2,0,0]=4 16966 B14R2.252 Brc1cc(on1)COC2CCCC2 7a_100000210269_100000709089 [0,1,0,1,0,0|2,0,0]=4 16967 B14R2.252 Brc1cc(on1)CSC2CCCC2 62a_100000709089_100000179811 [0,1,0,1,0,0|2,0,0]=4 16968 B14R2.252 Brc1cc(on1)CSC2CCCC2 62a_100011217020_100000709089 [0,1,0,1,0,0|2,0,0]=4 16969 B14R2.252 Brc1ccc(o1)CNC2CCCC2 207a_100000211070_100000185145 [0,1,0,1,0,0|1,0,0]=3 16970 B14R2.252 Brc1ccc(o1)CNC2CCCC2 270004a_100000211070_100000185145 [0,1,0,1,0,0|1,0,0]=3 16971 B14R2.252 Brc1ccc(o1)CNC2CCCC2 270004a_100000708654_100000210133 [0,1,0,1,0,0|1,0,0]=3 16972 B14R2.252 Brc1ccc(o1)CNC2CCCC2 34a_100000708654_100000179811 [0,1,0,1,0,0|1,0,0]=3 16973 B14R2.252 Brc1ccc(o1)CNC2CCOC2 270004a_100000708654_100000752484 [0,1,0,1,0,0|2,0,0]=4 16974 B14R2.252 Brc1ccc(o1)CNC2CCOC2 34a_100000708654_100000690089 [0,1,0,1,0,0|2,0,0]=4 16975 B14R2.252 Brc1ccc(o1)CNC2CCSC2 270004a_100000708654_100000212027 [0,1,0,1,0,0|2,0,0]=4 16976 B14R2.252 Brc1ccc(o1)CN[C@@H]2CCOC2 207a_200015188469_100000185145 [0,1,0,1,0,0|2,0,0]=4 16977 B14R2.252 Brc1ccc(o1)CN[C@@H]2CCOC2 270004a_200015188469_100000185145 [0,1,0,1,0,0|2,0,0]=4 16978 B14R2.252 Brc1ccc(o1)CN[C@H]2CCOC2 207a_100015188467_100000185145 [0,1,0,1,0,0|2,0,0]=4 16979 B14R2.252 Brc1ccc(o1)CN[C@H]2CCOC2 270004a_100015188467_100000185145 [0,1,0,1,0,0|2,0,0]=4 16980 B14R2.252 Brc1ccc(o1)COC2CCCC2 34a_100000246276_100000179811 [0,1,0,1,0,0|1,0,0]=3 16981 B14R2.252 Brc1ccc(o1)COC2CCCC2 7a_100000246276_100000179811 [0,1,0,1,0,0|1,0,0]=3 16982 B14R2.252 Brc1ccc(o1)COC2CCOC2 34a_100000246276_100000690089 [0,1,0,1,0,0|2,0,0]=4 16983 B14R2.252 Brc1ccc(o1)COC2CCOC2 7a_100000246276_100000731011 [0,1,0,1,0,0|2,0,0]=4 16984 B14R2.252 Brc1ccc(s1)CNC2CCCC2 207a_100000211070_100000179771 [0,1,0,1,0,0|1,1,0]=4 16985 B14R2.252 Brc1ccc(s1)CNC2CCCC2 2230a_100000211070_100000708592 [0,1,0,1,0,0|1,1,0]=4 16986 B14R2.252 Brc1ccc(s1)CNC2CCCC2 270004a_100000211070_100000179771 [0,1,0,1,0,0|1,1,0]=4 16987 B14R2.252 Brc1ccc(s1)CNC2CCCC2 270004a_100000737305_100000210133 [0,1,0,1,0,0|1,1,0]=4 16988 B14R2.252 Brc1ccc(s1)CNC2CCCC2 34a_100000211070_100000708592 [0,1,0,1,0,0|1,1,0]=4 16989 B14R2.252 Brc1ccc(s1)COC2CCCC2 34a_100000210269_100000708592 [0,1,0,1,0,0|1,1,0]=4 16990 B14R2.252 Brc1ccc(s1)COC2CCCC2 7a_100000210269_100000708592 [0,1,0,1,0,0|1,1,0]=4 16991 B14R2.252 Brc1ccc(s1)CSC2CCCC2 62a_100000708592_100000179811 [0,1,0,1,0,0|1,1,0]=4 16992 B14R2.252 Brc1ccc(s1)CSC2CCCC2 62a_100011217020_100000708592 [0,1,0,1,0,0|1,1,0]=4 16993 B14R2.252 Brc1ccc(s1)SCC2CCCC2 62a_100000740388_100010197418 [0,1,0,1,0,0|1,1,0]=4 16994 B14R2.252 Brc1ccc(s1)SCC2CCCC2 62a_100010197418_100000740388 [0,1,0,1,0,0|1,1,0]=4 16995 B14R2.252 Brc1coc(c1)CNC2CCCC2 270004a_100000211070_100000747035 [0,1,0,1,0,0|1,0,0]=3 16996 B14R2.252 Brc1coc(c1)CN[C@@H]2CCOC2 270004a_200015188469_100000747035 [0,1,0,1,0,0|2,0,0]=4 16997 B14R2.252 Brc1coc(c1)CN[C@H]2CCOC2 270004a_100015188467_100000747035 [0,1,0,1,0,0|2,0,0]=4 16998 B14R2.252 Brc1csc(c1)CNC2CCCC2 207a_100000211070_100000211722 [0,1,0,1,0,0|1,1,0]=4 16999 B14R2.252 Brc1csc(c1)CNC2CCCC2 2230a_100000211070_100000746031 [0,1,0,1,0,0|1,1,0]=4 17000 B14R2.252 Brc1csc(c1)CNC2CCCC2 2230a_100000741024_100000179811 [0,1,0,1,0,0|1,1,0]=4 17001 B14R2.252 Brc1csc(c1)CNC2CCCC2 270004a_100000211070_100000211722 [0,1,0,1,0,0|1,1,0]=4 17002 B14R2.252 Brc1csc(c1)CNC2CCCC2 270004a_100000741024_100000210133 [0,1,0,1,0,0|1,1,0]=4 17003 B14R2.252 Brc1csc(c1)CNC2CCCC2 34a_100000211070_100000746031 [0,1,0,1,0,0|1,1,0]=4 17004 B14R2.252 Brc1csc(c1)CNC2CCCC2 34a_100000741024_100000179811 [0,1,0,1,0,0|1,1,0]=4 17005 B14R2.252 Brc1csc(c1)COC2CCCC2 34a_100000210269_100000746031 [0,1,0,1,0,0|1,1,0]=4 17006 B14R2.252 Brc1csc(c1)COC2CCCC2 34a_100000238369_100000179811 [0,1,0,1,0,0|1,1,0]=4 17007 B14R2.252 Brc1csc(c1)COC2CCCC2 7a_100000210269_100000746031 [0,1,0,1,0,0|1,1,0]=4 17008 B14R2.252 Brc1csc(c1)COC2CCCC2 7a_100000238369_100000179811 [0,1,0,1,0,0|1,1,0]=4 17009 B14R2.252 Brc1csc(c1)CSC2CCCC2 62a_100000746031_100000179811 [0,1,0,1,0,0|1,1,0]=4 17010 B14R2.252 Brc1csc(c1)CSC2CCCC2 62a_100011217020_100000746031 [0,1,0,1,0,0|1,1,0]=4 17011 B14R2.252 CC1CCC(C1)NCc2ccco2 270004a_100000185738_100011215218 [0,1,0,1,0,0|1,0,0]=3 17012 B14R2.252 CC1CCC(C1)NCc2cccs2 270004a_100000211653_100011215218 [0,1,0,1,0,0|1,1,0]=4 17013 B14R2.252 CC1CCC(C1)NCc2cnco2 270004a_100020634212_100011215218 [0,1,0,1,0,0|2,0,0]=4 17014 B14R2.252 CC1CCC(C1)OCc2ncco2 34a_100000698185_103436540062 [0,1,0,1,0,0|2,0,0]=4 17015 B14R2.252 CN1CCC(C1)CSc2ccco2 62a_100009814098_200000690779 [0,1,0,1,0,0|2,0,0]=4 17016 B14R2.252 CN1CCC(C1)CSc2ccco2 62a_200000690779_100009814098 [0,1,0,1,0,0|2,0,0]=4 17017 B14R2.252 CN1CCC(C1)NCc2ccco2 207a_100000744687_100000186105 [0,1,0,1,0,0|2,0,0]=4 17018 B14R2.252 CN1CCC(C1)NCc2ccco2 270004a_100000744687_100000186105 [0,1,0,1,0,0|2,0,0]=4 17019 B14R2.252 C[C@@H]1CCN(C1)CCc2cccs2 2230a_100016987628_100000748579 [0,1,0,1,0,0|1,1,0]=4 17020 B14R2.252 C[C@@H]1CCN(C1)CCc2cccs2 269982a_100016987628_100000748579 [0,1,0,1,0,0|1,1,0]=4 17021 B14R2.252 C[C@@H]1CCN(C1)CCc2cccs2 34a_100016987628_100000748579 [0,1,0,1,0,0|1,1,0]=4 17022 B14R2.252 Cc1cc(on1)CNC2CCCC2 207a_100000211070_100011794430 [0,1,0,1,0,0|2,0,0]=4 17023 B14R2.252 Cc1cc(on1)CNC2CCCC2 2230a_100000211070_100000707947 [0,1,0,1,0,0|2,0,0]=4 17024 B14R2.252 Cc1cc(on1)CNC2CCCC2 2230a_100000745748_100000179811 [0,1,0,1,0,0|2,0,0]=4 17025 B14R2.252 Cc1cc(on1)CNC2CCCC2 270004a_100000211070_100011794430 [0,1,0,1,0,0|2,0,0]=4 17026 B14R2.252 Cc1cc(on1)CNC2CCCC2 270004a_100000745748_100000210133 [0,1,0,1,0,0|2,0,0]=4 17027 B14R2.252 Cc1cc(on1)CNC2CCCC2 34a_100000211070_100000707947 [0,1,0,1,0,0|2,0,0]=4 17028 B14R2.252 Cc1cc(on1)CNC2CCCC2 34a_100000745748_100000179811 [0,1,0,1,0,0|2,0,0]=4 17029 B14R2.252 Cc1cc(on1)COC2CCCC2 34a_100000210269_100000707947 [0,1,0,1,0,0|2,0,0]=4 17030 B14R2.252 Cc1cc(on1)COC2CCCC2 34a_100000684692_100000179811 [0,1,0,1,0,0|2,0,0]=4 17031 B14R2.252 Cc1cc(on1)COC2CCCC2 7a_100000210269_100000707947 [0,1,0,1,0,0|2,0,0]=4 17032 B14R2.252 Cc1cc(on1)CSC2CCCC2 62a_100000707947_100000179811 [0,1,0,1,0,0|2,0,0]=4 17033 B14R2.252 Cc1cc(on1)CSC2CCCC2 62a_100011217020_100000707947 [0,1,0,1,0,0|2,0,0]=4 17034 B14R2.252 Cc1ccc(o1)CNC2CCCC2 207a_100000211070_100000183696 [0,1,0,1,0,0|1,0,0]=3 17035 B14R2.252 Cc1ccc(o1)CNC2CCCC2 270004a_100000211070_100000183696 [0,1,0,1,0,0|1,0,0]=3 17036 B14R2.252 Cc1ccc(o1)CNC2CCCC2 270004a_100011194323_100000210133 [0,1,0,1,0,0|1,0,0]=3 17037 B14R2.252 Cc1ccc(o1)CNC2CCCC2 34a_100011194323_100000179811 [0,1,0,1,0,0|1,0,0]=3 17038 B14R2.252 Cc1ccc(o1)CNC2CCOC2 270004a_100011194323_100000752484 [0,1,0,1,0,0|2,0,0]=4 17039 B14R2.252 Cc1ccc(o1)CNC2CCOC2 34a_100011194323_100000690089 [0,1,0,1,0,0|2,0,0]=4 17040 B14R2.252 Cc1ccc(o1)CNC2CCSC2 270004a_100011194323_100000212027 [0,1,0,1,0,0|2,0,0]=4 17041 B14R2.252 Cc1ccc(o1)CN[C@@H]2CCOC2 207a_200015188469_100000183696 [0,1,0,1,0,0|2,0,0]=4 17042 B14R2.252 Cc1ccc(o1)CN[C@@H]2CCOC2 270004a_200015188469_100000183696 [0,1,0,1,0,0|2,0,0]=4 17043 B14R2.252 Cc1ccc(o1)CN[C@H]2CCOC2 207a_100015188467_100000183696 [0,1,0,1,0,0|2,0,0]=4 17044 B14R2.252 Cc1ccc(o1)CN[C@H]2CCOC2 270004a_100015188467_100000183696 [0,1,0,1,0,0|2,0,0]=4 17045 B14R2.252 Cc1ccc(o1)COC2CCCC2 34a_100011232665_100000179811 [0,1,0,1,0,0|1,0,0]=3 17046 B14R2.252 Cc1ccc(o1)COC2CCCC2 7a_100011232665_100000179811 [0,1,0,1,0,0|1,0,0]=3 17047 B14R2.252 Cc1ccc(o1)COC2CCOC2 34a_100011232665_100000690089 [0,1,0,1,0,0|2,0,0]=4 17048 B14R2.252 Cc1ccc(o1)COC2CCOC2 7a_100011232665_100000731011 [0,1,0,1,0,0|2,0,0]=4 17049 B14R2.252 Cc1ccc(s1)CNC2CCCC2 207a_100000211070_100000211121 [0,1,0,1,0,0|1,1,0]=4 17050 B14R2.252 Cc1ccc(s1)CNC2CCCC2 2230a_100000238518_100000179811 [0,1,0,1,0,0|1,1,0]=4 17051 B14R2.252 Cc1ccc(s1)CNC2CCCC2 270004a_100000211070_100000211121 [0,1,0,1,0,0|1,1,0]=4 17052 B14R2.252 Cc1ccc(s1)CNC2CCCC2 270004a_100000238518_100000210133 [0,1,0,1,0,0|1,1,0]=4 17053 B14R2.252 Cc1ccc(s1)COC2CCCC2 34a_100000238367_100000179811 [0,1,0,1,0,0|1,1,0]=4 17054 B14R2.252 Cc1ccc(s1)SCC2CCCC2 62a_100000031368_100000740388 [0,1,0,1,0,0|1,1,0]=4 17055 B14R2.252 Cc1ccc(s1)SCC2CCCC2 62a_100000740388_100000031368 [0,1,0,1,0,0|1,1,0]=4 17056 B14R2.252 Cc1cnc(o1)CNC2CCCC2 2230a_100138411809_100000179811 [0,1,0,1,0,0|2,0,0]=4 17057 B14R2.252 Cc1cnc(o1)CNC2CCCC2 34a_100138411809_100000179811 [0,1,0,1,0,0|2,0,0]=4 17058 B14R2.252 Cc1csc(c1)CNC2CCCC2 207a_100000211070_100102525248 [0,1,0,1,0,0|1,1,0]=4 17059 B14R2.252 Cc1csc(c1)CNC2CCCC2 2230a_100015204214_100000179811 [0,1,0,1,0,0|1,1,0]=4 17060 B14R2.252 Cc1csc(c1)CNC2CCCC2 270004a_100000211070_100102525248 [0,1,0,1,0,0|1,1,0]=4 17061 B14R2.252 Cc1csc(c1)CNC2CCCC2 270004a_100015204214_100000210133 [0,1,0,1,0,0|1,1,0]=4 17062 B14R2.252 Cc1csc(c1)CNC2CCCC2 34a_100015204214_100000179811 [0,1,0,1,0,0|1,1,0]=4 17063 B14R2.252 Cc1csc(c1)COC2CCCC2 34a_200000068372_100000179811 [0,1,0,1,0,0|1,1,0]=4 17064 B14R2.252 Cc1csc(c1)COC2CCCC2 7a_200000068372_100000179811 [0,1,0,1,0,0|1,1,0]=4 17065 B14R2.252 Cc1csc(c1)SCC2CCCC2 62a_100000740388_100009876951 [0,1,0,1,0,0|1,1,0]=4 17066 B14R2.252 Cc1csc(c1)SCC2CCCC2 62a_100009876951_100000740388 [0,1,0,1,0,0|1,1,0]=4 17067 B14R2.252 Cc1ncc(o1)CNC2CCCC2 207a_100000211070_100000084308 [0,1,0,1,0,0|2,0,0]=4 17068 B14R2.252 Cc1ncc(o1)CNC2CCCC2 270004a_100000211070_100000084308 [0,1,0,1,0,0|2,0,0]=4 17069 B14R2.252 Cc1noc(n1)CCC2CCCC2 270196a_100000212224_100000211120 [0,1,0,1,0,0|2,0,0]=4 17070 B14R2.252 Clc1ccc(o1)CNC2CCCC2 207a_100000211070_100000188459 [0,1,0,1,0,0|1,0,0]=3 17071 B14R2.252 Clc1ccc(o1)CNC2CCCC2 270004a_100000211070_100000188459 [0,1,0,1,0,0|1,0,0]=3 17072 B14R2.252 Clc1ccc(o1)CN[C@@H]2CCOC2 207a_200015188469_100000188459 [0,1,0,1,0,0|2,0,0]=4 17073 B14R2.252 Clc1ccc(o1)CN[C@@H]2CCOC2 270004a_200015188469_100000188459 [0,1,0,1,0,0|2,0,0]=4 17074 B14R2.252 Clc1ccc(o1)CN[C@H]2CCOC2 207a_100015188467_100000188459 [0,1,0,1,0,0|2,0,0]=4 17075 B14R2.252 Clc1ccc(o1)CN[C@H]2CCOC2 270004a_100015188467_100000188459 [0,1,0,1,0,0|2,0,0]=4 17076 B14R2.252 Clc1ccc(s1)CNC2CCCC2 207a_100000211070_100000242774 [0,1,0,1,0,0|1,1,0]=4 17077 B14R2.252 Clc1ccc(s1)CNC2CCCC2 2230a_100000211070_100000185097 [0,1,0,1,0,0|1,1,0]=4 17078 B14R2.252 Clc1ccc(s1)CNC2CCCC2 2230a_100000737310_100000179811 [0,1,0,1,0,0|1,1,0]=4 17079 B14R2.252 Clc1ccc(s1)CNC2CCCC2 270004a_100000211070_100000242774 [0,1,0,1,0,0|1,1,0]=4 17080 B14R2.252 Clc1ccc(s1)CNC2CCCC2 270004a_100000737310_100000210133 [0,1,0,1,0,0|1,1,0]=4 17081 B14R2.252 Clc1ccc(s1)CNC2CCCC2 34a_100000211070_100000185097 [0,1,0,1,0,0|1,1,0]=4 17082 B14R2.252 Clc1ccc(s1)COC2CCCC2 34a_100000210269_100000185097 [0,1,0,1,0,0|1,1,0]=4 17083 B14R2.252 Clc1ccc(s1)COC2CCCC2 7a_100000210269_100000185097 [0,1,0,1,0,0|1,1,0]=4 17084 B14R2.252 Clc1ccc(s1)CSC2CCCC2 62a_100000185097_100000179811 [0,1,0,1,0,0|1,1,0]=4 17085 B14R2.252 Clc1ccc(s1)CSC2CCCC2 62a_100011217020_100000185097 [0,1,0,1,0,0|1,1,0]=4 17086 B14R2.252 Clc1csc(c1)CNC2CCCC2 207a_100000211070_100000102487 [0,1,0,1,0,0|1,1,0]=4 17087 B14R2.252 Clc1csc(c1)CNC2CCCC2 270004a_100000211070_100000102487 [0,1,0,1,0,0|1,1,0]=4 17088 B14R2.252 F[C@H]1CCN(C1)CCc2cccs2 2230a_100015203821_100000748579 [0,1,0,1,0,0|1,1,0]=4 17089 B14R2.252 F[C@H]1CCN(C1)CCc2cccs2 269982a_100015203821_100000748579 [0,1,0,1,0,0|1,1,0]=4 17090 B14R2.252 F[C@H]1CCN(C1)CCc2cccs2 34a_100015203821_100000748579 [0,1,0,1,0,0|1,1,0]=4 17091 B14R2.252 Ic1ccc(o1)CNC2CCCC2 207a_100000211070_100000186757 [0,1,0,1,0,0|1,0,0]=3 17092 B14R2.252 Ic1ccc(o1)CN[C@@H]2CCOC2 207a_200015188469_100000186757 [0,1,0,1,0,0|2,0,0]=4 17093 B14R2.252 Ic1ccc(o1)CN[C@H]2CCOC2 207a_100015188467_100000186757 [0,1,0,1,0,0|2,0,0]=4 17094 B14R2.252 Ic1csc(c1)CNC2CCCC2 207a_100000211070_100010179861 [0,1,0,1,0,0|1,1,0]=4 17095 B14R2.252 OC1CCC(C1)NCc2ccco2 270004a_100000185738_100012614533 [0,1,0,1,0,0|1,0,0]=3 17096 B14R2.252 OC1CCC(C1)NCc2cccs2 270004a_100000211653_100012614533 [0,1,0,1,0,0|1,1,0]=4 17097 B14R2.252 OC1CCC(C1)NCc2cnco2 270004a_100020634212_100012614533 [0,1,0,1,0,0|2,0,0]=4 17098 B14R2.252 OC1CCN(C1)CCc2cccs2 2230a_100011215560_100000748579 [0,1,0,1,0,0|1,1,0]=4 17099 B14R2.252 OC1CCN(C1)CCc2cccs2 269982a_100011215560_100000748579 [0,1,0,1,0,0|1,1,0]=4 17100 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2ccco2 207a_100015195300_100000186105 [0,1,0,1,0,0|1,0,0]=3 17101 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2ccco2 270004a_100015195300_100000186105 [0,1,0,1,0,0|1,0,0]=3 17102 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2cccs2 207a_100015195300_100000209959 [0,1,0,1,0,0|1,1,0]=4 17103 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2cccs2 270004a_100015195300_100000209959 [0,1,0,1,0,0|1,1,0]=4 17104 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2cnco2 270004a_100015195300_100000064291 [0,1,0,1,0,0|2,0,0]=4 17105 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2ncco2 2230a_100015195300_103436540062 [0,1,0,1,0,0|2,0,0]=4 17106 B14R2.252 O[C@@H]1CC[C@@H](C1)NCc2ncco2 270004a_100015195300_100000064290 [0,1,0,1,0,0|2,0,0]=4 17107 B14R2.256 Cc1noc(n1)C2CCCCC2C 270196a_100000212224_100011215568 [0,1,0,1,0,0|2,0,0]=4 17108 B14R2.257 CC1CC1COCc2cc(cs2)Br 34a_100000744939_100000746031 [0,1,0,1,0,0|1,1,0]=4 17109 B14R2.257 CC1CC1COCc2cc(cs2)Br 7a_100000744939_100000746031 [0,1,0,1,0,0|1,1,0]=4 17110 B14R2.257 CC1CC1COCc2cc(no2)Br 7a_100000744939_100000709089 [0,1,0,1,0,0|2,0,0]=4 17111 B14R2.257 CC1CC1COCc2ccc(s2)Br 34a_100000744939_100000708592 [0,1,0,1,0,0|1,1,0]=4 17112 B14R2.257 CC1CC1COCc2ccc(s2)Br 7a_100000744939_100000708592 [0,1,0,1,0,0|1,1,0]=4 17113 B14R2.257 CC1CC1COCc2ccc(s2)Cl 34a_100000744939_100000185097 [0,1,0,1,0,0|1,1,0]=4 17114 B14R2.257 CC1CC1COCc2ccc(s2)Cl 7a_100000744939_100000185097 [0,1,0,1,0,0|1,1,0]=4 17115 B14R2.257 Cc1cc(on1)COCC2CC2C 34a_100000744939_100000707947 [0,1,0,1,0,0|2,0,0]=4 17116 B14R2.257 Cc1cc(on1)COCC2CC2C 7a_100000744939_100000707947 [0,1,0,1,0,0|2,0,0]=4 17117 B14R2.259 CC1SCCN1Cc2cc(co2)Br 270004a_200011216479_100000747035 [0,1,0,1,0,0|2,0,0]=4 17118 B14R2.259 CC1SCCN1Cc2ccc(o2)Br 270004a_200011216479_100000185145 [0,1,0,1,0,0|2,0,0]=4 17119 B14R2.259 CC1SCCN1Cc2ccc(o2)Cl 270004a_200011216479_100000188459 [0,1,0,1,0,0|2,0,0]=4 17120 B14R2.259 C[C@@H]1CCCN1Cc2cc(c[nH]2)Br 270004a_100015189458_100000720742 [0,1,0,1,0,0|2,0,0]=4 17121 B14R2.259 C[C@@H]1CCCN1Cc2cc(co2)Br 270004a_100015189458_100000747035 [0,1,0,1,0,0|1,0,0]=3 17122 B14R2.259 C[C@@H]1CCCN1Cc2cc(cs2)Br 2230a_100015189458_100000746031 [0,1,0,1,0,0|1,1,0]=4 17123 B14R2.259 C[C@@H]1CCCN1Cc2cc(cs2)Br 269982a_100015189458_100000746031 [0,1,0,1,0,0|1,1,0]=4 17124 B14R2.259 C[C@@H]1CCCN1Cc2cc(cs2)Br 270004a_100015189458_100000211722 [0,1,0,1,0,0|1,1,0]=4 17125 B14R2.259 C[C@@H]1CCCN1Cc2cc(cs2)Br 34a_100015189458_100000746031 [0,1,0,1,0,0|1,1,0]=4 17126 B14R2.259 C[C@@H]1CCCN1Cc2cc(cs2)Cl 270004a_100015189458_100000102487 [0,1,0,1,0,0|1,1,0]=4 17127 B14R2.259 C[C@@H]1CCCN1Cc2cc(no2)Br 269982a_100015189458_100000709089 [0,1,0,1,0,0|2,0,0]=4 17128 B14R2.259 C[C@@H]1CCCN1Cc2cc(no2)Br 270004a_100015189458_100009819588 [0,1,0,1,0,0|2,0,0]=4 17129 B14R2.259 C[C@@H]1CCCN1Cc2ccc(o2)Br 270004a_100015189458_100000185145 [0,1,0,1,0,0|1,0,0]=3 17130 B14R2.259 C[C@@H]1CCCN1Cc2ccc(o2)Cl 270004a_100015189458_100000188459 [0,1,0,1,0,0|1,0,0]=3 17131 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Br 2230a_100015189458_100000708592 [0,1,0,1,0,0|1,1,0]=4 17132 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Br 269982a_100015189458_100000708592 [0,1,0,1,0,0|1,1,0]=4 17133 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Br 270004a_100015189458_100000179771 [0,1,0,1,0,0|1,1,0]=4 17134 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Br 34a_100015189458_100000708592 [0,1,0,1,0,0|1,1,0]=4 17135 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Cl 2230a_100015189458_100000185097 [0,1,0,1,0,0|1,1,0]=4 17136 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Cl 269982a_100015189458_100000185097 [0,1,0,1,0,0|1,1,0]=4 17137 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Cl 270004a_100015189458_100000242774 [0,1,0,1,0,0|1,1,0]=4 17138 B14R2.259 C[C@@H]1CCCN1Cc2ccc(s2)Cl 34a_100015189458_100000185097 [0,1,0,1,0,0|1,1,0]=4 17139 B14R2.259 C[C@H]1CCCN1Cc2cc(c[nH]2)Br 270004a_100020605311_100000720742 [0,1,0,1,0,0|2,0,0]=4 17140 B14R2.259 C[C@H]1CCCN1Cc2cc(co2)Br 270004a_100020605311_100000747035 [0,1,0,1,0,0|1,0,0]=3 17141 B14R2.259 C[C@H]1CCCN1Cc2cc(cs2)Br 2230a_100020605311_100000746031 [0,1,0,1,0,0|1,1,0]=4 17142 B14R2.259 C[C@H]1CCCN1Cc2cc(cs2)Br 269982a_100020605311_100000746031 [0,1,0,1,0,0|1,1,0]=4 17143 B14R2.259 C[C@H]1CCCN1Cc2cc(cs2)Br 270004a_100020605311_100000211722 [0,1,0,1,0,0|1,1,0]=4 17144 B14R2.259 C[C@H]1CCCN1Cc2cc(cs2)Cl 270004a_100020605311_100000102487 [0,1,0,1,0,0|1,1,0]=4 17145 B14R2.259 C[C@H]1CCCN1Cc2cc(no2)Br 269982a_100020605311_100000709089 [0,1,0,1,0,0|2,0,0]=4 17146 B14R2.259 C[C@H]1CCCN1Cc2cc(no2)Br 270004a_100020605311_100009819588 [0,1,0,1,0,0|2,0,0]=4 17147 B14R2.259 C[C@H]1CCCN1Cc2ccc(o2)Br 270004a_100020605311_100000185145 [0,1,0,1,0,0|1,0,0]=3 17148 B14R2.259 C[C@H]1CCCN1Cc2ccc(o2)Cl 270004a_100020605311_100000188459 [0,1,0,1,0,0|1,0,0]=3 17149 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Br 2230a_100020605311_100000708592 [0,1,0,1,0,0|1,1,0]=4 17150 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Br 269982a_100020605311_100000708592 [0,1,0,1,0,0|1,1,0]=4 17151 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Br 270004a_100020605311_100000179771 [0,1,0,1,0,0|1,1,0]=4 17152 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Cl 2230a_100020605311_100000185097 [0,1,0,1,0,0|1,1,0]=4 17153 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Cl 269982a_100020605311_100000185097 [0,1,0,1,0,0|1,1,0]=4 17154 B14R2.259 C[C@H]1CCCN1Cc2ccc(s2)Cl 270004a_100020605311_100000242774 [0,1,0,1,0,0|1,1,0]=4 17155 B14R2.259 Cc1cc(on1)CN2CCC[C@@H]2C 2230a_100020605311_100000707947 [0,1,0,1,0,0|2,0,0]=4 17156 B14R2.259 Cc1cc(on1)CN2CCC[C@@H]2C 269982a_100020605311_100000707947 [0,1,0,1,0,0|2,0,0]=4 17157 B14R2.259 Cc1cc(on1)CN2CCC[C@@H]2C 270004a_100020605311_100011794430 [0,1,0,1,0,0|2,0,0]=4 17158 B14R2.259 Cc1cc(on1)CN2CCC[C@H]2C 2230a_100015189458_100000707947 [0,1,0,1,0,0|2,0,0]=4 17159 B14R2.259 Cc1cc(on1)CN2CCC[C@H]2C 269982a_100015189458_100000707947 [0,1,0,1,0,0|2,0,0]=4 17160 B14R2.259 Cc1cc(on1)CN2CCC[C@H]2C 270004a_100015189458_100011794430 [0,1,0,1,0,0|2,0,0]=4 17161 B14R2.259 Cc1cc(on1)CN2CCC[C@H]2C 34a_100015189458_100000707947 [0,1,0,1,0,0|2,0,0]=4 17162 B14R2.259 Cc1ccc(o1)CN2CCC[C@@H]2C 270004a_100020605311_100000183696 [0,1,0,1,0,0|1,0,0]=3 17163 B14R2.259 Cc1ccc(o1)CN2CCC[C@H]2C 270004a_100015189458_100000183696 [0,1,0,1,0,0|1,0,0]=3 17164 B14R2.259 Cc1ccc(o1)CN2CCSC2C 270004a_200011216479_100000183696 [0,1,0,1,0,0|2,0,0]=4 17165 B14R2.259 Cc1ccc(s1)CN2CCC[C@@H]2C 270004a_100020605311_100000211121 [0,1,0,1,0,0|1,1,0]=4 17166 B14R2.259 Cc1ccc(s1)CN2CCC[C@H]2C 270004a_100015189458_100000211121 [0,1,0,1,0,0|1,1,0]=4 17167 B14R2.259 Cc1csc(c1)CN2CCC[C@@H]2C 270004a_100020605311_100102525248 [0,1,0,1,0,0|1,1,0]=4 17168 B14R2.259 Cc1csc(c1)CN2CCC[C@H]2C 270004a_100015189458_100102525248 [0,1,0,1,0,0|1,1,0]=4 17169 B14R2.259 Cc1ncc(o1)CN2CCC[C@@H]2C 270004a_100020605311_100000084308 [0,1,0,1,0,0|2,0,0]=4 17170 B14R2.259 Cc1ncc(o1)CN2CCC[C@H]2C 270004a_100015189458_100000084308 [0,1,0,1,0,0|2,0,0]=4 17171 B14R2.4359 Cc1noc(n1)C2CCCCCC2 270196a_100000212224_100000749507 [0,1,0,1,0,0|2,0,0]=4 17172 B14R2.4374 Brc1c[nH]c(c1)CNCCC2CC2 270004a_100000764129_100000720742 [0,1,0,1,0,0|2,0,0]=4 17173 B14R2.4374 Brc1cc(on1)CCOCC2CC2 34a_100009816916_100000742324 [0,1,0,1,0,0|2,0,0]=4 17174 B14R2.4374 Brc1cc(on1)CNCCC2CC2 2230a_100015193020_100000694398 [0,1,0,1,0,0|2,0,0]=4 17175 B14R2.4374 Brc1cc(on1)CNCCC2CC2 270004a_100000764129_100009819588 [0,1,0,1,0,0|2,0,0]=4 17176 B14R2.4374 Brc1cc(on1)CNCCC2CC2 34a_100015193020_100000694398 [0,1,0,1,0,0|2,0,0]=4 17177 B14R2.4374 Brc1cc(on1)COCCC2CC2 34a_100009816691_100000694398 [0,1,0,1,0,0|2,0,0]=4 17178 B14R2.4374 Brc1cc(on1)COCCC2CC2 7a_100000754188_100000709089 [0,1,0,1,0,0|2,0,0]=4 17179 B14R2.4374 Brc1cc(on1)CSCCC2CC2 62a_100000709089_100000764125 [0,1,0,1,0,0|2,0,0]=4 17180 B14R2.4374 Brc1cc(on1)CSCCC2CC2 62a_100000764125_100000709089 [0,1,0,1,0,0|2,0,0]=4 17181 B14R2.4374 Brc1ccc(o1)CNCCC2CC2 207a_100000764129_100000185145 [0,1,0,1,0,0|1,0,0]=3 17182 B14R2.4374 Brc1ccc(o1)CNCCC2CC2 270004a_100000764129_100000185145 [0,1,0,1,0,0|1,0,0]=3 17183 B14R2.4374 Brc1ccc(o1)CNCCC2CC2 34a_100000708654_100000694398 [0,1,0,1,0,0|1,0,0]=3 17184 B14R2.4374 Brc1ccc(o1)CNCCC2CO2 34a_100000708654_100000732470 [0,1,0,1,0,0|2,0,0]=4 17185 B14R2.4374 Brc1ccc(o1)COCCC2CC2 34a_100000246276_100000694398 [0,1,0,1,0,0|1,0,0]=3 17186 B14R2.4374 Brc1ccc(o1)COCCC2CC2 7a_100000246276_100000764125 [0,1,0,1,0,0|1,0,0]=3 17187 B14R2.4374 Brc1ccc(o1)COCCC2CO2 34a_100000246276_100000732470 [0,1,0,1,0,0|2,0,0]=4 17188 B14R2.4374 Brc1ccc(o1)COCCC2CO2 7a_100000246276_100000732470 [0,1,0,1,0,0|2,0,0]=4 17189 B14R2.4374 Brc1ccc(s1)CCNCC2CC2 2230a_100000217605_100000742324 [0,1,0,1,0,0|1,1,0]=4 17190 B14R2.4374 Brc1ccc(s1)CCNCC2CC2 269862a_100000217605_100000741477 [0,1,0,1,0,0|1,1,0]=4 17191 B14R2.4374 Brc1ccc(s1)CNCCC2CC2 207a_100000764129_100000179771 [0,1,0,1,0,0|1,1,0]=4 17192 B14R2.4374 Brc1ccc(s1)CNCCC2CC2 270004a_100000764129_100000179771 [0,1,0,1,0,0|1,1,0]=4 17193 B14R2.4374 Brc1ccc(s1)CNCCC2CC2 34a_100000764129_100000708592 [0,1,0,1,0,0|1,1,0]=4 17194 B14R2.4374 Brc1ccc(s1)COCCC2CC2 34a_100000754188_100000708592 [0,1,0,1,0,0|1,1,0]=4 17195 B14R2.4374 Brc1ccc(s1)COCCC2CC2 7a_100000754188_100000708592 [0,1,0,1,0,0|1,1,0]=4 17196 B14R2.4374 Brc1ccc(s1)CSCCC2CC2 62a_100000708592_100000764125 [0,1,0,1,0,0|1,1,0]=4 17197 B14R2.4374 Brc1ccc(s1)CSCCC2CC2 62a_100000764125_100000708592 [0,1,0,1,0,0|1,1,0]=4 17198 B14R2.4374 Brc1coc(c1)CNCCC2CC2 270004a_100000764129_100000747035 [0,1,0,1,0,0|1,0,0]=3 17199 B14R2.4374 Brc1csc(c1)CNCCC2CC2 207a_100000764129_100000211722 [0,1,0,1,0,0|1,1,0]=4 17200 B14R2.4374 Brc1csc(c1)CNCCC2CC2 2230a_100000741024_100000694398 [0,1,0,1,0,0|1,1,0]=4 17201 B14R2.4374 Brc1csc(c1)CNCCC2CC2 270004a_100000764129_100000211722 [0,1,0,1,0,0|1,1,0]=4 17202 B14R2.4374 Brc1csc(c1)CNCCC2CC2 34a_100000741024_100000694398 [0,1,0,1,0,0|1,1,0]=4 17203 B14R2.4374 Brc1csc(c1)CNCCC2CC2 34a_100000764129_100000746031 [0,1,0,1,0,0|1,1,0]=4 17204 B14R2.4374 Brc1csc(c1)COCCC2CC2 34a_100000238369_100000694398 [0,1,0,1,0,0|1,1,0]=4 17205 B14R2.4374 Brc1csc(c1)COCCC2CC2 34a_100000754188_100000746031 [0,1,0,1,0,0|1,1,0]=4 17206 B14R2.4374 Brc1csc(c1)COCCC2CC2 7a_100000238369_100000764125 [0,1,0,1,0,0|1,1,0]=4 17207 B14R2.4374 Brc1csc(c1)COCCC2CC2 7a_100000754188_100000746031 [0,1,0,1,0,0|1,1,0]=4 17208 B14R2.4374 Brc1csc(c1)CSCCC2CC2 62a_100000746031_100000764125 [0,1,0,1,0,0|1,1,0]=4 17209 B14R2.4374 Brc1csc(c1)CSCCC2CC2 62a_100000764125_100000746031 [0,1,0,1,0,0|1,1,0]=4 17210 B14R2.4374 Cc1cc(on1)CNCCC2CC2 207a_100000764129_100011794430 [0,1,0,1,0,0|2,0,0]=4 17211 B14R2.4374 Cc1cc(on1)CNCCC2CC2 2230a_100000745748_100000694398 [0,1,0,1,0,0|2,0,0]=4 17212 B14R2.4374 Cc1cc(on1)CNCCC2CC2 270004a_100000764129_100011794430 [0,1,0,1,0,0|2,0,0]=4 17213 B14R2.4374 Cc1cc(on1)CNCCC2CC2 34a_100000745748_100000694398 [0,1,0,1,0,0|2,0,0]=4 17214 B14R2.4374 Cc1cc(on1)CNCCC2CC2 34a_100000764129_100000707947 [0,1,0,1,0,0|2,0,0]=4 17215 B14R2.4374 Cc1cc(on1)COCCC2CC2 34a_100000684692_100000694398 [0,1,0,1,0,0|2,0,0]=4 17216 B14R2.4374 Cc1cc(on1)COCCC2CC2 34a_100000754188_100000707947 [0,1,0,1,0,0|2,0,0]=4 17217 B14R2.4374 Cc1cc(on1)COCCC2CC2 7a_100000754188_100000707947 [0,1,0,1,0,0|2,0,0]=4 17218 B14R2.4374 Cc1cc(on1)CSCCC2CC2 62a_100000707947_100000764125 [0,1,0,1,0,0|2,0,0]=4 17219 B14R2.4374 Cc1cc(on1)CSCCC2CC2 62a_100000764125_100000707947 [0,1,0,1,0,0|2,0,0]=4 17220 B14R2.4374 Cc1ccc(o1)CCNCC2CC2 2230a_100000739271_100000742324 [0,1,0,1,0,0|1,0,0]=3 17221 B14R2.4374 Cc1ccc(o1)CCNCC2CC2 269862a_100000739271_100000741477 [0,1,0,1,0,0|1,0,0]=3 17222 B14R2.4374 Cc1ccc(o1)CCNCC2CC2 34a_100000739271_100000742324 [0,1,0,1,0,0|1,0,0]=3 17223 B14R2.4374 Cc1ccc(o1)CCNCC2CO2 2230a_100000739271_100011216344 [0,1,0,1,0,0|2,0,0]=4 17224 B14R2.4374 Cc1ccc(o1)CCNCC2CO2 34a_100000739271_102125554688 [0,1,0,1,0,0|2,0,0]=4 17225 B14R2.4374 Cc1ccc(o1)CCOCC2CC2 34a_100012161071_100000742324 [0,1,0,1,0,0|1,0,0]=3 17226 B14R2.4374 Cc1ccc(o1)CCOCC2CC2 7a_100012161071_100000742324 [0,1,0,1,0,0|1,0,0]=3 17227 B14R2.4374 Cc1ccc(o1)CCOCC2CO2 34a_100012161071_102125554688 [0,1,0,1,0,0|2,0,0]=4 17228 B14R2.4374 Cc1ccc(o1)CCOCC2CO2 7a_100012161071_102125554688 [0,1,0,1,0,0|2,0,0]=4 17229 B14R2.4374 Cc1ccc(o1)CCOCC2CS2 7a_100012161071_100000031435 [0,1,0,1,0,0|2,0,0]=4 17230 B14R2.4374 Cc1ccc(o1)CCOC[C@@H]2CO2 7a_100012161071_100000745022 [0,1,0,1,0,0|2,0,0]=4 17231 B14R2.4374 Cc1ccc(o1)CNCCC2CC2 207a_100000764129_100000183696 [0,1,0,1,0,0|1,0,0]=3 17232 B14R2.4374 Cc1ccc(o1)CNCCC2CC2 270004a_100000764129_100000183696 [0,1,0,1,0,0|1,0,0]=3 17233 B14R2.4374 Cc1ccc(o1)CNCCC2CC2 34a_100011194323_100000694398 [0,1,0,1,0,0|1,0,0]=3 17234 B14R2.4374 Cc1ccc(o1)CNCCC2CO2 34a_100011194323_100000732470 [0,1,0,1,0,0|2,0,0]=4 17235 B14R2.4374 Cc1ccc(o1)COCCC2CC2 34a_100011232665_100000694398 [0,1,0,1,0,0|1,0,0]=3 17236 B14R2.4374 Cc1ccc(o1)COCCC2CC2 7a_100011232665_100000764125 [0,1,0,1,0,0|1,0,0]=3 17237 B14R2.4374 Cc1ccc(o1)COCCC2CO2 34a_100011232665_100000732470 [0,1,0,1,0,0|2,0,0]=4 17238 B14R2.4374 Cc1ccc(o1)COCCC2CO2 7a_100011232665_100000732470 [0,1,0,1,0,0|2,0,0]=4 17239 B14R2.4374 Cc1ccc(s1)CNCCC2CC2 207a_100000764129_100000211121 [0,1,0,1,0,0|1,1,0]=4 17240 B14R2.4374 Cc1ccc(s1)CNCCC2CC2 2230a_100000238518_100000694398 [0,1,0,1,0,0|1,1,0]=4 17241 B14R2.4374 Cc1ccc(s1)CNCCC2CC2 270004a_100000764129_100000211121 [0,1,0,1,0,0|1,1,0]=4 17242 B14R2.4374 Cc1ccc(s1)COCCC2CC2 34a_100000238367_100000694398 [0,1,0,1,0,0|1,1,0]=4 17243 B14R2.4374 Cc1cnc(o1)CNCCC2CC2 2230a_100138411809_100000694398 [0,1,0,1,0,0|2,0,0]=4 17244 B14R2.4374 Cc1cnc(o1)CNCCC2CC2 34a_100138411809_100000694398 [0,1,0,1,0,0|2,0,0]=4 17245 B14R2.4374 Cc1csc(c1)CNCCC2CC2 207a_100000764129_100102525248 [0,1,0,1,0,0|1,1,0]=4 17246 B14R2.4374 Cc1csc(c1)CNCCC2CC2 2230a_100015204214_100000694398 [0,1,0,1,0,0|1,1,0]=4 17247 B14R2.4374 Cc1csc(c1)CNCCC2CC2 270004a_100000764129_100102525248 [0,1,0,1,0,0|1,1,0]=4 17248 B14R2.4374 Cc1csc(c1)CNCCC2CC2 34a_100015204214_100000694398 [0,1,0,1,0,0|1,1,0]=4 17249 B14R2.4374 Cc1csc(c1)COCCC2CC2 34a_200000068372_100000694398 [0,1,0,1,0,0|1,1,0]=4 17250 B14R2.4374 Cc1csc(c1)COCCC2CC2 7a_200000068372_100000764125 [0,1,0,1,0,0|1,1,0]=4 17251 B14R2.4374 Cc1ncc(o1)CNCCC2CC2 207a_100000764129_100000084308 [0,1,0,1,0,0|2,0,0]=4 17252 B14R2.4374 Cc1ncc(o1)CNCCC2CC2 270004a_100000764129_100000084308 [0,1,0,1,0,0|2,0,0]=4 17253 B14R2.4374 Clc1ccc(o1)CNCCC2CC2 207a_100000764129_100000188459 [0,1,0,1,0,0|1,0,0]=3 17254 B14R2.4374 Clc1ccc(o1)CNCCC2CC2 270004a_100000764129_100000188459 [0,1,0,1,0,0|1,0,0]=3 17255 B14R2.4374 Clc1ccc(s1)CNCCC2CC2 207a_100000764129_100000242774 [0,1,0,1,0,0|1,1,0]=4 17256 B14R2.4374 Clc1ccc(s1)CNCCC2CC2 2230a_100000737310_100000694398 [0,1,0,1,0,0|1,1,0]=4 17257 B14R2.4374 Clc1ccc(s1)CNCCC2CC2 270004a_100000764129_100000242774 [0,1,0,1,0,0|1,1,0]=4 17258 B14R2.4374 Clc1ccc(s1)CNCCC2CC2 34a_100000764129_100000185097 [0,1,0,1,0,0|1,1,0]=4 17259 B14R2.4374 Clc1ccc(s1)COCCC2CC2 34a_100000754188_100000185097 [0,1,0,1,0,0|1,1,0]=4 17260 B14R2.4374 Clc1ccc(s1)COCCC2CC2 7a_100000754188_100000185097 [0,1,0,1,0,0|1,1,0]=4 17261 B14R2.4374 Clc1ccc(s1)CSCCC2CC2 62a_100000185097_100000764125 [0,1,0,1,0,0|1,1,0]=4 17262 B14R2.4374 Clc1ccc(s1)CSCCC2CC2 62a_100000764125_100000185097 [0,1,0,1,0,0|1,1,0]=4 17263 B14R2.4374 Clc1csc(c1)CNCCC2CC2 207a_100000764129_100000102487 [0,1,0,1,0,0|1,1,0]=4 17264 B14R2.4374 Clc1csc(c1)CNCCC2CC2 270004a_100000764129_100000102487 [0,1,0,1,0,0|1,1,0]=4 17265 B14R2.4374 Ic1ccc(o1)CNCCC2CC2 207a_100000764129_100000186757 [0,1,0,1,0,0|1,0,0]=3 17266 B14R2.4374 Ic1csc(c1)CNCCC2CC2 207a_100000764129_100010179861 [0,1,0,1,0,0|1,1,0]=4 17267 B14R2.4390 Brc1c[nH]c(c1)CNCC2CCC2 270004a_100000738700_100000720742 [0,1,0,1,0,0|2,0,0]=4 17268 B14R2.4390 Brc1cc(on1)CCOC2CCC2 34a_100009816916_100000749161 [0,1,0,1,0,0|2,0,0]=4 17269 B14R2.4390 Brc1cc(on1)CNCC2CCC2 2230a_100015193020_100000763275 [0,1,0,1,0,0|2,0,0]=4 17270 B14R2.4390 Brc1cc(on1)CNCC2CCC2 270004a_100000738700_100009819588 [0,1,0,1,0,0|2,0,0]=4 17271 B14R2.4390 Brc1cc(on1)CNCC2CCC2 34a_100015193020_100000763275 [0,1,0,1,0,0|2,0,0]=4 17272 B14R2.4390 Brc1cc(on1)COCC2CCC2 34a_100009816691_100000763275 [0,1,0,1,0,0|2,0,0]=4 17273 B14R2.4390 Brc1cc(on1)CSCC2CCC2 62a_100000709089_100000763275 [0,1,0,1,0,0|2,0,0]=4 17274 B14R2.4390 Brc1cc(on1)CSCC2CCC2 62a_100000763275_100000709089 [0,1,0,1,0,0|2,0,0]=4 17275 B14R2.4390 Brc1ccc(o1)CNCC2CCC2 207a_100000738700_100000185145 [0,1,0,1,0,0|1,0,0]=3 17276 B14R2.4390 Brc1ccc(o1)CNCC2CCC2 269862a_100000708654_100000753134 [0,1,0,1,0,0|1,0,0]=3 17277 B14R2.4390 Brc1ccc(o1)CNCC2CCC2 270004a_100000738700_100000185145 [0,1,0,1,0,0|1,0,0]=3 17278 B14R2.4390 Brc1ccc(o1)CNCC2CCC2 34a_100000708654_100000763275 [0,1,0,1,0,0|1,0,0]=3 17279 B14R2.4390 Brc1ccc(o1)CNCC2CCO2 34a_100000708654_100000103362 [0,1,0,1,0,0|2,0,0]=4 17280 B14R2.4390 Brc1ccc(o1)CNCC2COC2 207a_100015281925_100000185145 [0,1,0,1,0,0|2,0,0]=4 17281 B14R2.4390 Brc1ccc(o1)CNCC2COC2 270004a_100015281925_100000185145 [0,1,0,1,0,0|2,0,0]=4 17282 B14R2.4390 Brc1ccc(o1)CNCC2COC2 34a_100000708654_100010264016 [0,1,0,1,0,0|2,0,0]=4 17283 B14R2.4390 Brc1ccc(o1)CNC[C@@H]2CCO2 207a_100020831831_100000185145 [0,1,0,1,0,0|2,0,0]=4 17284 B14R2.4390 Brc1ccc(o1)CNC[C@@H]2CCO2 270004a_100020831831_100000185145 [0,1,0,1,0,0|2,0,0]=4 17285 B14R2.4390 Brc1ccc(o1)COCC2CCC2 34a_100000246276_100000763275 [0,1,0,1,0,0|1,0,0]=3 17286 B14R2.4390 Brc1ccc(o1)COCC2CCC2 7a_100000246276_100000763275 [0,1,0,1,0,0|1,0,0]=3 17287 B14R2.4390 Brc1ccc(o1)COCC2CCO2 34a_100000246276_100000103362 [0,1,0,1,0,0|2,0,0]=4 17288 B14R2.4390 Brc1ccc(o1)COCC2CCO2 7a_100000246276_100000103362 [0,1,0,1,0,0|2,0,0]=4 17289 B14R2.4390 Brc1ccc(o1)COCC2COC2 34a_100000246276_100010264016 [0,1,0,1,0,0|2,0,0]=4 17290 B14R2.4390 Brc1ccc(o1)COCC2COC2 7a_100000246276_100010264016 [0,1,0,1,0,0|2,0,0]=4 17291 B14R2.4390 Brc1ccc(s1)CCNC2CCC2 270004a_100000217605_100000241760 [0,1,0,1,0,0|1,1,0]=4 17292 B14R2.4390 Brc1ccc(s1)CNCC2CCC2 207a_100000738700_100000179771 [0,1,0,1,0,0|1,1,0]=4 17293 B14R2.4390 Brc1ccc(s1)CNCC2CCC2 2230a_100000738700_100000708592 [0,1,0,1,0,0|1,1,0]=4 17294 B14R2.4390 Brc1ccc(s1)CNCC2CCC2 269862a_100000737305_100000753134 [0,1,0,1,0,0|1,1,0]=4 17295 B14R2.4390 Brc1ccc(s1)CNCC2CCC2 270004a_100000738700_100000179771 [0,1,0,1,0,0|1,1,0]=4 17296 B14R2.4390 Brc1ccc(s1)CNCC2CCC2 34a_100000738700_100000708592 [0,1,0,1,0,0|1,1,0]=4 17297 B14R2.4390 Brc1ccc(s1)COCC2CCC2 34a_100000760304_100000708592 [0,1,0,1,0,0|1,1,0]=4 17298 B14R2.4390 Brc1ccc(s1)CSCC2CCC2 62a_100000708592_100000763275 [0,1,0,1,0,0|1,1,0]=4 17299 B14R2.4390 Brc1ccc(s1)CSCC2CCC2 62a_100000763275_100000708592 [0,1,0,1,0,0|1,1,0]=4 17300 B14R2.4390 Brc1coc(c1)CNCC2CCC2 270004a_100000738700_100000747035 [0,1,0,1,0,0|1,0,0]=3 17301 B14R2.4390 Brc1coc(c1)CNCC2COC2 270004a_100015281925_100000747035 [0,1,0,1,0,0|2,0,0]=4 17302 B14R2.4390 Brc1coc(c1)CNC[C@@H]2CCO2 270004a_100020831831_100000747035 [0,1,0,1,0,0|2,0,0]=4 17303 B14R2.4390 Brc1csc(c1)CNCC2CCC2 207a_100000738700_100000211722 [0,1,0,1,0,0|1,1,0]=4 17304 B14R2.4390 Brc1csc(c1)CNCC2CCC2 2230a_100000738700_100000746031 [0,1,0,1,0,0|1,1,0]=4 17305 B14R2.4390 Brc1csc(c1)CNCC2CCC2 2230a_100000741024_100000763275 [0,1,0,1,0,0|1,1,0]=4 17306 B14R2.4390 Brc1csc(c1)CNCC2CCC2 269862a_100000741024_100000753134 [0,1,0,1,0,0|1,1,0]=4 17307 B14R2.4390 Brc1csc(c1)CNCC2CCC2 270004a_100000738700_100000211722 [0,1,0,1,0,0|1,1,0]=4 17308 B14R2.4390 Brc1csc(c1)CNCC2CCC2 34a_100000738700_100000746031 [0,1,0,1,0,0|1,1,0]=4 17309 B14R2.4390 Brc1csc(c1)CNCC2CCC2 34a_100000741024_100000763275 [0,1,0,1,0,0|1,1,0]=4 17310 B14R2.4390 Brc1csc(c1)COCC2CCC2 34a_100000238369_100000763275 [0,1,0,1,0,0|1,1,0]=4 17311 B14R2.4390 Brc1csc(c1)COCC2CCC2 34a_100000760304_100000746031 [0,1,0,1,0,0|1,1,0]=4 17312 B14R2.4390 Brc1csc(c1)COCC2CCC2 7a_100000238369_100000763275 [0,1,0,1,0,0|1,1,0]=4 17313 B14R2.4390 Brc1csc(c1)CSCC2CCC2 62a_100000746031_100000763275 [0,1,0,1,0,0|1,1,0]=4 17314 B14R2.4390 Brc1csc(c1)CSCC2CCC2 62a_100000763275_100000746031 [0,1,0,1,0,0|1,1,0]=4 17315 B14R2.4390 Cc1cc(on1)CNCC2CCC2 207a_100000738700_100011794430 [0,1,0,1,0,0|2,0,0]=4 17316 B14R2.4390 Cc1cc(on1)CNCC2CCC2 2230a_100000738700_100000707947 [0,1,0,1,0,0|2,0,0]=4 17317 B14R2.4390 Cc1cc(on1)CNCC2CCC2 2230a_100000745748_100000763275 [0,1,0,1,0,0|2,0,0]=4 17318 B14R2.4390 Cc1cc(on1)CNCC2CCC2 269862a_100000745748_100000753134 [0,1,0,1,0,0|2,0,0]=4 17319 B14R2.4390 Cc1cc(on1)CNCC2CCC2 270004a_100000738700_100011794430 [0,1,0,1,0,0|2,0,0]=4 17320 B14R2.4390 Cc1cc(on1)CNCC2CCC2 34a_100000738700_100000707947 [0,1,0,1,0,0|2,0,0]=4 17321 B14R2.4390 Cc1cc(on1)CNCC2CCC2 34a_100000745748_100000763275 [0,1,0,1,0,0|2,0,0]=4 17322 B14R2.4390 Cc1cc(on1)COCC2CCC2 34a_100000684692_100000763275 [0,1,0,1,0,0|2,0,0]=4 17323 B14R2.4390 Cc1cc(on1)COCC2CCC2 34a_100000760304_100000707947 [0,1,0,1,0,0|2,0,0]=4 17324 B14R2.4390 Cc1cc(on1)CSCC2CCC2 62a_100000707947_100000763275 [0,1,0,1,0,0|2,0,0]=4 17325 B14R2.4390 Cc1cc(on1)CSCC2CCC2 62a_100000763275_100000707947 [0,1,0,1,0,0|2,0,0]=4 17326 B14R2.4390 Cc1ccc(o1)CCNC2CCC2 270004a_100000739271_100000241760 [0,1,0,1,0,0|1,0,0]=3 17327 B14R2.4390 Cc1ccc(o1)CCNC2CCC2 34a_100000739271_100000749161 [0,1,0,1,0,0|1,0,0]=3 17328 B14R2.4390 Cc1ccc(o1)CCNC2COC2 34a_100000739271_100009818527 [0,1,0,1,0,0|2,0,0]=4 17329 B14R2.4390 Cc1ccc(o1)CCOC2CCC2 34a_100012161071_100000749161 [0,1,0,1,0,0|1,0,0]=3 17330 B14R2.4390 Cc1ccc(o1)CCOC2COC2 34a_100012161071_100009818527 [0,1,0,1,0,0|2,0,0]=4 17331 B14R2.4390 Cc1ccc(o1)CCOC2COC2 7a_100012161071_100009818527 [0,1,0,1,0,0|2,0,0]=4 17332 B14R2.4390 Cc1ccc(o1)CNCC2CCC2 207a_100000738700_100000183696 [0,1,0,1,0,0|1,0,0]=3 17333 B14R2.4390 Cc1ccc(o1)CNCC2CCC2 269862a_100011194323_100000753134 [0,1,0,1,0,0|1,0,0]=3 17334 B14R2.4390 Cc1ccc(o1)CNCC2CCC2 270004a_100000738700_100000183696 [0,1,0,1,0,0|1,0,0]=3 17335 B14R2.4390 Cc1ccc(o1)CNCC2CCC2 34a_100011194323_100000763275 [0,1,0,1,0,0|1,0,0]=3 17336 B14R2.4390 Cc1ccc(o1)CNCC2CCO2 34a_100011194323_100000103362 [0,1,0,1,0,0|2,0,0]=4 17337 B14R2.4390 Cc1ccc(o1)CNCC2COC2 207a_100015281925_100000183696 [0,1,0,1,0,0|2,0,0]=4 17338 B14R2.4390 Cc1ccc(o1)CNCC2COC2 270004a_100015281925_100000183696 [0,1,0,1,0,0|2,0,0]=4 17339 B14R2.4390 Cc1ccc(o1)CNCC2COC2 34a_100011194323_100010264016 [0,1,0,1,0,0|2,0,0]=4 17340 B14R2.4390 Cc1ccc(o1)CNC[C@@H]2CCO2 207a_100020831831_100000183696 [0,1,0,1,0,0|2,0,0]=4 17341 B14R2.4390 Cc1ccc(o1)CNC[C@@H]2CCO2 270004a_100020831831_100000183696 [0,1,0,1,0,0|2,0,0]=4 17342 B14R2.4390 Cc1ccc(o1)COCC2CCC2 34a_100011232665_100000763275 [0,1,0,1,0,0|1,0,0]=3 17343 B14R2.4390 Cc1ccc(o1)COCC2CCC2 7a_100011232665_100000763275 [0,1,0,1,0,0|1,0,0]=3 17344 B14R2.4390 Cc1ccc(o1)COCC2CCO2 34a_100011232665_100000103362 [0,1,0,1,0,0|2,0,0]=4 17345 B14R2.4390 Cc1ccc(o1)COCC2CCO2 7a_100011232665_100000103362 [0,1,0,1,0,0|2,0,0]=4 17346 B14R2.4390 Cc1ccc(o1)COCC2COC2 34a_100011232665_100010264016 [0,1,0,1,0,0|2,0,0]=4 17347 B14R2.4390 Cc1ccc(o1)COCC2COC2 7a_100011232665_100010264016 [0,1,0,1,0,0|2,0,0]=4 17348 B14R2.4390 Cc1ccc(s1)CNCC2CCC2 207a_100000738700_100000211121 [0,1,0,1,0,0|1,1,0]=4 17349 B14R2.4390 Cc1ccc(s1)CNCC2CCC2 2230a_100000238518_100000763275 [0,1,0,1,0,0|1,1,0]=4 17350 B14R2.4390 Cc1ccc(s1)CNCC2CCC2 269862a_100000238518_100000753134 [0,1,0,1,0,0|1,1,0]=4 17351 B14R2.4390 Cc1ccc(s1)CNCC2CCC2 270004a_100000738700_100000211121 [0,1,0,1,0,0|1,1,0]=4 17352 B14R2.4390 Cc1ccc(s1)COCC2CCC2 34a_100000238367_100000763275 [0,1,0,1,0,0|1,1,0]=4 17353 B14R2.4390 Cc1cnc(o1)CNCC2CCC2 2230a_100138411809_100000763275 [0,1,0,1,0,0|2,0,0]=4 17354 B14R2.4390 Cc1cnc(o1)CNCC2CCC2 34a_100138411809_100000763275 [0,1,0,1,0,0|2,0,0]=4 17355 B14R2.4390 Cc1csc(c1)CNCC2CCC2 207a_100000738700_100102525248 [0,1,0,1,0,0|1,1,0]=4 17356 B14R2.4390 Cc1csc(c1)CNCC2CCC2 2230a_100015204214_100000763275 [0,1,0,1,0,0|1,1,0]=4 17357 B14R2.4390 Cc1csc(c1)CNCC2CCC2 269862a_100015204214_100000753134 [0,1,0,1,0,0|1,1,0]=4 17358 B14R2.4390 Cc1csc(c1)CNCC2CCC2 270004a_100000738700_100102525248 [0,1,0,1,0,0|1,1,0]=4 17359 B14R2.4390 Cc1csc(c1)CNCC2CCC2 34a_100015204214_100000763275 [0,1,0,1,0,0|1,1,0]=4 17360 B14R2.4390 Cc1csc(c1)COCC2CCC2 34a_200000068372_100000763275 [0,1,0,1,0,0|1,1,0]=4 17361 B14R2.4390 Cc1csc(c1)COCC2CCC2 7a_200000068372_100000763275 [0,1,0,1,0,0|1,1,0]=4 17362 B14R2.4390 Cc1ncc(o1)CNCC2CCC2 207a_100000738700_100000084308 [0,1,0,1,0,0|2,0,0]=4 17363 B14R2.4390 Cc1ncc(o1)CNCC2CCC2 270004a_100000738700_100000084308 [0,1,0,1,0,0|2,0,0]=4 17364 B14R2.4390 Clc1ccc(o1)CNCC2CCC2 207a_100000738700_100000188459 [0,1,0,1,0,0|1,0,0]=3 17365 B14R2.4390 Clc1ccc(o1)CNCC2CCC2 270004a_100000738700_100000188459 [0,1,0,1,0,0|1,0,0]=3 17366 B14R2.4390 Clc1ccc(o1)CNCC2COC2 207a_100015281925_100000188459 [0,1,0,1,0,0|2,0,0]=4 17367 B14R2.4390 Clc1ccc(o1)CNCC2COC2 270004a_100015281925_100000188459 [0,1,0,1,0,0|2,0,0]=4 17368 B14R2.4390 Clc1ccc(o1)CNC[C@@H]2CCO2 207a_100020831831_100000188459 [0,1,0,1,0,0|2,0,0]=4 17369 B14R2.4390 Clc1ccc(o1)CNC[C@@H]2CCO2 270004a_100020831831_100000188459 [0,1,0,1,0,0|2,0,0]=4 17370 B14R2.4390 Clc1ccc(s1)CNCC2CCC2 207a_100000738700_100000242774 [0,1,0,1,0,0|1,1,0]=4 17371 B14R2.4390 Clc1ccc(s1)CNCC2CCC2 2230a_100000737310_100000763275 [0,1,0,1,0,0|1,1,0]=4 17372 B14R2.4390 Clc1ccc(s1)CNCC2CCC2 2230a_100000738700_100000185097 [0,1,0,1,0,0|1,1,0]=4 17373 B14R2.4390 Clc1ccc(s1)CNCC2CCC2 269862a_100000737310_100000753134 [0,1,0,1,0,0|1,1,0]=4 17374 B14R2.4390 Clc1ccc(s1)CNCC2CCC2 270004a_100000738700_100000242774 [0,1,0,1,0,0|1,1,0]=4 17375 B14R2.4390 Clc1ccc(s1)CNCC2CCC2 34a_100000738700_100000185097 [0,1,0,1,0,0|1,1,0]=4 17376 B14R2.4390 Clc1ccc(s1)COCC2CCC2 34a_100000760304_100000185097 [0,1,0,1,0,0|1,1,0]=4 17377 B14R2.4390 Clc1ccc(s1)CSCC2CCC2 62a_100000185097_100000763275 [0,1,0,1,0,0|1,1,0]=4 17378 B14R2.4390 Clc1ccc(s1)CSCC2CCC2 62a_100000763275_100000185097 [0,1,0,1,0,0|1,1,0]=4 17379 B14R2.4390 Clc1csc(c1)CNCC2CCC2 207a_100000738700_100000102487 [0,1,0,1,0,0|1,1,0]=4 17380 B14R2.4390 Clc1csc(c1)CNCC2CCC2 270004a_100000738700_100000102487 [0,1,0,1,0,0|1,1,0]=4 17381 B14R2.4390 Ic1ccc(o1)CNCC2CCC2 207a_100000738700_100000186757 [0,1,0,1,0,0|1,0,0]=3 17382 B14R2.4390 Ic1ccc(o1)CNCC2COC2 207a_100015281925_100000186757 [0,1,0,1,0,0|2,0,0]=4 17383 B14R2.4390 Ic1ccc(o1)CNC[C@@H]2CCO2 207a_100020831831_100000186757 [0,1,0,1,0,0|2,0,0]=4 17384 B14R2.4390 Ic1csc(c1)CNCC2CCC2 207a_100000738700_100010179861 [0,1,0,1,0,0|1,1,0]=4 17385 B14R2.724 CC1CCN1CC(=O)c2ccco2 269982a_100000755817_100000211439 [0,1,0,1,0,0|1,0,1]=4 17386 B14R2.793 CC(Cc1ccco1)N2CCCC2 270004a_100000188435_100011216958 [0,1,0,1,0,0|1,0,0]=3 17387 B14R2.793 CC(Cc1ccco1)N2CCSC2 270004a_100011215254_100011216958 [0,1,0,1,0,0|2,0,0]=4 17388 B14R2.793 CC(NC1CCCC1)c2ccc[nH]2 269862a_100000211070_100000183661 [0,1,0,1,0,0|2,0,0]=4 17389 B14R2.793 CC(NC1CCCC1)c2cccs2 2230a_100000703493_100000179811 [0,1,0,1,0,0|1,1,0]=4 17390 B14R2.793 CC(NC1CCCC1)c2cccs2 269862a_100000211070_100000185736 [0,1,0,1,0,0|1,1,0]=4 17391 B14R2.793 CC(NC1CCCC1)c2cccs2 270004a_100000703493_100000210133 [0,1,0,1,0,0|1,1,0]=4 17392 B14R2.793 CN(Cc1ccco1)C2CCCC2 2230a_100000185268_100000179811 [0,1,0,1,0,0|1,0,0]=3 17393 B14R2.793 CN(Cc1ccco1)C2CCCC2 269982a_100000185268_100000179811 [0,1,0,1,0,0|1,0,0]=3 17394 B14R2.793 CN(Cc1ccco1)C2CCCC2 270004a_100000185268_100000210133 [0,1,0,1,0,0|1,0,0]=3 17395 B14R2.793 CN(Cc1ccco1)C2CCCC2 270004a_100000207505_100000186105 [0,1,0,1,0,0|1,0,0]=3 17396 B14R2.793 CN(Cc1ccco1)C2CCOC2 2230a_100000185268_100000731011 [0,1,0,1,0,0|2,0,0]=4 17397 B14R2.793 CN(Cc1ccco1)C2CCOC2 269982a_100000185268_100000731011 [0,1,0,1,0,0|2,0,0]=4 17398 B14R2.793 CN(Cc1ccco1)C2CCOC2 270004a_100000185268_100000752484 [0,1,0,1,0,0|2,0,0]=4 17399 B14R2.793 CN(Cc1ccco1)C2CCOC2 270004a_100016988252_100000186105 [0,1,0,1,0,0|2,0,0]=4 17400 B14R2.793 CN(Cc1ccco1)C2CCSC2 270004a_100000185268_100000212027 [0,1,0,1,0,0|2,0,0]=4 17401 B14R2.793 CN(Cc1cccs1)C2CCCC2 2230a_100000184426_100000179811 [0,1,0,1,0,0|1,1,0]=4 17402 B14R2.793 CN(Cc1cccs1)C2CCCC2 269982a_100000184426_100000179811 [0,1,0,1,0,0|1,1,0]=4 17403 B14R2.793 CN(Cc1cccs1)C2CCCC2 270004a_100000184426_100000210133 [0,1,0,1,0,0|1,1,0]=4 17404 B14R2.793 CN(Cc1cccs1)C2CCCC2 270004a_100000207505_100000209959 [0,1,0,1,0,0|1,1,0]=4 17405 B14R2.793 CN(Cc1cnco1)C2CCCC2 270004a_100000207505_100000064291 [0,1,0,1,0,0|2,0,0]=4 17406 B14R2.793 CN(Cc1ncco1)C2CCCC2 2230a_100000207505_103436540062 [0,1,0,1,0,0|2,0,0]=4 17407 B14R2.793 CN(Cc1ncco1)C2CCCC2 269982a_100000207505_103436540062 [0,1,0,1,0,0|2,0,0]=4 17408 B14R2.793 CN(Cc1ncco1)C2CCCC2 270004a_100000207505_100000064290 [0,1,0,1,0,0|2,0,0]=4 17409 B14R2.793 CN(Cc1ncco1)C2CCCC2 34a_100000207505_103436540062 [0,1,0,1,0,0|2,0,0]=4 17410 B14R2.793 C[C@@H](NC1CCCC1)c2ccco2 2230a_100160469435_100000179811 [0,1,0,1,0,0|1,0,0]=3 17411 B14R2.793 C[C@@H](NC1CCCC1)c2ccco2 270004a_100160469435_100000210133 [0,1,0,1,0,0|1,0,0]=3 17412 B14R2.793 C[C@@H](NC1CCOC1)c2ccco2 2230a_100160469435_100000731011 [0,1,0,1,0,0|2,0,0]=4 17413 B14R2.793 C[C@@H](NC1CCOC1)c2ccco2 270004a_100160469435_100000752484 [0,1,0,1,0,0|2,0,0]=4 17414 B14R2.793 C[C@@H](NC1CCSC1)c2ccco2 270004a_100160469435_100000212027 [0,1,0,1,0,0|2,0,0]=4 17415 B14R2.793 C[C@@H](OC1CCCC1)c2cccs2 7a_100000750433_100000179811 [0,1,0,1,0,0|1,1,0]=4 17416 B14R2.793 C[C@H](OC1CCCC1)c2ccco2 34a_100000755270_100000179811 [0,1,0,1,0,0|1,0,0]=3 17417 B14R2.793 C[C@H](OC1CCCC1)c2ccco2 7a_100000755270_100000179811 [0,1,0,1,0,0|1,0,0]=3 17418 B14R2.793 C[C@H](OC1CCOC1)c2ccco2 34a_100000755270_100000690089 [0,1,0,1,0,0|2,0,0]=4 17419 B14R2.793 C[C@H](OC1CCOC1)c2ccco2 7a_100000755270_100000731011 [0,1,0,1,0,0|2,0,0]=4 17420 B14R2.793 O=C(CN1CCCC1)c2ccco2 269982a_100000188435_100000211439 [0,1,0,1,0,0|1,0,1]=4 17421 B14R2.793 O=C(Cc1ccc[nH]1)C2CCCC2 1458a_100000238377_100000179811 [0,1,0,1,0,0|1,0,1]=4 17422 B14R2.793 O=C(Cc1ccco1)C2CCCC2 1458a_100011217309_100000179811 [0,1,0,1,0,0|0,0,1]=3 17423 B14R2.793 O=C(Cc1ccco1)C2CCOC2 1458a_100011217309_100000690089 [0,1,0,1,0,0|1,0,1]=4 17424 B14R2.793 O=C(Cc1ccco1)N2CCCC2 527a_100000188435_100011217309 [0,1,0,1,0,0|1,0,1]=4 17425 B14R2.793 O=C(Cc1cccs1)C2CCCC2 1458a_100000210189_100000179811 [0,1,0,1,0,0|0,1,1]=4 17426 B14R2.793 O=C(Cc1ncco1)C2CCCC2 1458a_100000210718_103436540062 [0,1,0,1,0,0|1,0,1]=4 17427 B14R2.4253 CC(NCCC1CC1)c2ccc[nH]2 269862a_100000764129_100000183661 [0,1,0,1,0,0|2,0,0]=4 17428 B14R2.4253 CC(NCCC1CC1)c2cccs2 2230a_100000703493_100000694398 [0,1,0,1,0,0|1,1,0]=4 17429 B14R2.4253 CC(NCCC1CC1)c2cccs2 269862a_100000764129_100000185736 [0,1,0,1,0,0|1,1,0]=4 17430 B14R2.4253 C[C@@H](NCCC1CC1)c2ccco2 2230a_100160469435_100000694398 [0,1,0,1,0,0|1,0,0]=3 17431 B14R2.4253 C[C@@H](NCCC1CO1)c2ccco2 2230a_100160469435_100000732470 [0,1,0,1,0,0|2,0,0]=4 17432 B14R2.4253 C[C@@H](OCCC1CC1)c2cccs2 7a_100000750433_100000764125 [0,1,0,1,0,0|1,1,0]=4 17433 B14R2.4253 C[C@H](OCCC1CC1)c2ccco2 34a_100000755270_100000694398 [0,1,0,1,0,0|1,0,0]=3 17434 B14R2.4253 C[C@H](OCCC1CC1)c2ccco2 7a_100000755270_100000764125 [0,1,0,1,0,0|1,0,0]=3 17435 B14R2.4253 C[C@H](OCCC1CO1)c2ccco2 34a_100000755270_100000732470 [0,1,0,1,0,0|2,0,0]=4 17436 B14R2.4253 C[C@H](OCCC1CO1)c2ccco2 7a_100000755270_100000732470 [0,1,0,1,0,0|2,0,0]=4 17437 B14R2.4253 NC(COCC1CC1)c2cccs2 34a_100102422791_100000742324 [0,1,0,1,0,0|1,1,0]=4 17438 B14R2.4253 O=C(CSCC1CC1)c2ccco2 62a_100000211439_100000742324 [0,1,0,1,0,0|1,0,1]=4 17439 B14R2.4253 O=C(CSCC1CC1)c2ccco2 62a_100000756562_100000211439 [0,1,0,1,0,0|1,0,1]=4 17440 B14R2.4253 OC(CNCC1CC1)c2ccco2 2230a_100000738650_100000742324 [0,1,0,1,0,0|1,0,0]=3 17441 B14R2.4253 OC(CNCC1CC1)c2ccco2 269862a_100000738650_100000741477 [0,1,0,1,0,0|1,0,0]=3 17442 B14R2.4253 OC(CNCC1CO1)c2ccco2 2230a_100000738650_100011216344 [0,1,0,1,0,0|2,0,0]=4 17443 B14R2.4254 CC(NCC1CCC1)c2ccc[nH]2 269862a_100000738700_100000183661 [0,1,0,1,0,0|2,0,0]=4 17444 B14R2.4254 CC(NCC1CCC1)c2cccs2 2230a_100000703493_100000763275 [0,1,0,1,0,0|1,1,0]=4 17445 B14R2.4254 CC(NCC1CCC1)c2cccs2 269862a_100000703493_100000753134 [0,1,0,1,0,0|1,1,0]=4 17446 B14R2.4254 CC(NCC1CCC1)c2cccs2 269862a_100000738700_100000185736 [0,1,0,1,0,0|1,1,0]=4 17447 B14R2.4254 C[C@@H](NCC1CCC1)c2ccco2 2230a_100160469435_100000763275 [0,1,0,1,0,0|1,0,0]=3 17448 B14R2.4254 C[C@@H](NCC1CCC1)c2ccco2 269862a_100160469435_100000753134 [0,1,0,1,0,0|1,0,0]=3 17449 B14R2.4254 C[C@@H](NCC1CCO1)c2ccco2 2230a_100160469435_100000103362 [0,1,0,1,0,0|2,0,0]=4 17450 B14R2.4254 C[C@@H](NCC1COC1)c2ccco2 2230a_100160469435_100010264016 [0,1,0,1,0,0|2,0,0]=4 17451 B14R2.4254 C[C@@H](OCC1CCC1)c2cccs2 7a_100000750433_100000763275 [0,1,0,1,0,0|1,1,0]=4 17452 B14R2.4254 C[C@H](OCC1CCC1)c2ccco2 34a_100000755270_100000763275 [0,1,0,1,0,0|1,0,0]=3 17453 B14R2.4254 C[C@H](OCC1CCC1)c2ccco2 7a_100000755270_100000763275 [0,1,0,1,0,0|1,0,0]=3 17454 B14R2.4254 C[C@H](OCC1CCO1)c2ccco2 34a_100000755270_100000103362 [0,1,0,1,0,0|2,0,0]=4 17455 B14R2.4254 C[C@H](OCC1CCO1)c2ccco2 7a_100000755270_100000103362 [0,1,0,1,0,0|2,0,0]=4 17456 B14R2.4254 C[C@H](OCC1COC1)c2ccco2 34a_100000755270_100010264016 [0,1,0,1,0,0|2,0,0]=4 17457 B14R2.4254 C[C@H](OCC1COC1)c2ccco2 7a_100000755270_100010264016 [0,1,0,1,0,0|2,0,0]=4 17458 B14R2.4254 NC(COC1CCC1)c2cccs2 34a_100102422791_100000749161 [0,1,0,1,0,0|1,1,0]=4 17459 B14R2.4254 O=C(CSC1CCC1)c2ccco2 62a_100000211439_100000749161 [0,1,0,1,0,0|1,0,1]=4 17460 B14R2.4254 OC(CNC1CCC1)c2ccco2 270004a_100000738650_100000241760 [0,1,0,1,0,0|1,0,0]=3 17461 B14R2.38 COCC1CCN1Cc2ccco2 270004a_100015195929_100000186105 [0,1,0,1,0,0|1,0,0]=3 17462 B14R2.38 COCC1CCN1Cc2cccs2 270004a_100015195929_100000209959 [0,1,0,1,0,0|1,1,0]=4 17463 B14R2.38 COCC1CCN1Cc2cnco2 270004a_100015195929_100000064291 [0,1,0,1,0,0|2,0,0]=4 17464 B14R2.38 COCC1CCN1Cc2ncco2 2230a_100015195929_103436540062 [0,1,0,1,0,0|2,0,0]=4 17465 B14R2.38 COCC1CCN1Cc2ncco2 269982a_100015195929_103436540062 [0,1,0,1,0,0|2,0,0]=4 17466 B14R2.38 COCC1CCN1Cc2ncco2 270004a_100015195929_100000064290 [0,1,0,1,0,0|2,0,0]=4 17467 B14R2.38 COCC1CCN1Cc2ncco2 34a_100015195929_103436540062 [0,1,0,1,0,0|2,0,0]=4 17468 B14R2.48 CN1CCCCCC1c2ccco2 2230a_100000758039_200000210301 [0,1,0,1,0,0|0,0,0]=2 17469 B14R2.48 CN1CCCCCC1c2ccco2 269982a_100000758039_200000210301 [0,1,0,1,0,0|0,0,0]=2 17470 B14R2.48 CN1CCCCCC1c2ccco2 34a_100000758039_200000210301 [0,1,0,1,0,0|0,0,0]=2 17471 B14R2.48 [13CH3]N1CCCCCC1c2ccco2 2230a_100000758039_200025704644 [0,1,0,1,0,0|0,0,0]=2 17472 B14R2.48 [13CH3]N1CCCCCC1c2ccco2 269982a_100000758039_200025704644 [0,1,0,1,0,0|0,0,0]=2 17473 B14R2.48 [13CH3]N1CCCCCC1c2ccco2 34a_100000758039_200025704644 [0,1,0,1,0,0|0,0,0]=2 17474 B14R2.50 CC1CCCCN1Cc2c[nH]cn2 2230a_100000211376_100000707719 [0,1,0,1,0,0|2,0,0]=4 17475 B14R2.50 CC1CCCCN1Cc2c[nH]cn2 269982a_100000211376_100000707719 [0,1,0,1,0,0|2,0,0]=4 17476 B14R2.50 CC1CCCCN1Cc2c[nH]cn2 34a_100000211376_100000707719 [0,1,0,1,0,0|2,0,0]=4 17477 B14R2.50 CC1CCCCN1Cc2cc[nH]n2 270004a_100000211376_100000738523 [0,1,0,1,0,0|2,0,0]=4 17478 B14R2.50 CC1CCCCN1Cc2ccco2 270004a_100000211376_100000186105 [0,1,0,1,0,0|0,0,0]=2 17479 B14R2.50 CC1CCCCN1Cc2cccs2 270004a_100000211376_100000209959 [0,1,0,1,0,0|0,1,0]=3 17480 B14R2.50 CC1CCCCN1Cc2ccn[nH]2 2230a_100000211376_100000728653 [0,1,0,1,0,0|2,0,0]=4 17481 B14R2.50 CC1CCCCN1Cc2ccn[nH]2 269982a_100000211376_100000728653 [0,1,0,1,0,0|2,0,0]=4 17482 B14R2.50 CC1CCCCN1Cc2ccn[nH]2 34a_100000211376_100000728653 [0,1,0,1,0,0|2,0,0]=4 17483 B14R2.50 CC1CCCCN1Cc2ccoc2 270004a_100000211376_100011215517 [0,1,0,1,0,0|2,0,0]=4 17484 B14R2.50 CC1CCCCN1Cc2ccon2 2230a_100000211376_100000234950 [0,1,0,1,0,0|2,0,0]=4 17485 B14R2.50 CC1CCCCN1Cc2ccon2 269982a_100000211376_100000234950 [0,1,0,1,0,0|2,0,0]=4 17486 B14R2.50 CC1CCCCN1Cc2ccon2 34a_100000211376_100000234950 [0,1,0,1,0,0|2,0,0]=4 17487 B14R2.50 CC1CCCCN1Cc2ccsc2 2230a_100000211376_100011261437 [0,1,0,1,0,0|2,0,0]=4 17488 B14R2.50 CC1CCCCN1Cc2ccsc2 269982a_100000211376_100011233845 [0,1,0,1,0,0|2,0,0]=4 17489 B14R2.50 CC1CCCCN1Cc2ccsc2 270004a_100000211376_100000188534 [0,1,0,1,0,0|2,0,0]=4 17490 B14R2.50 CC1CCCCN1Cc2ccsc2 34a_100000211376_100011261437 [0,1,0,1,0,0|2,0,0]=4 17491 B14R2.50 CC1CCCCN1Cc2cnco2 270004a_100000211376_100000064291 [0,1,0,1,0,0|1,0,0]=3 17492 B14R2.50 CC1CCCCN1Cc2cncs2 2230a_100000211376_100015185245 [0,1,0,1,0,0|1,1,0]=4 17493 B14R2.50 CC1CCCCN1Cc2cncs2 269982a_100000211376_100015185245 [0,1,0,1,0,0|1,1,0]=4 17494 B14R2.50 CC1CCCCN1Cc2cncs2 270004a_100000211376_100000749870 [0,1,0,1,0,0|1,1,0]=4 17495 B14R2.50 CC1CCCCN1Cc2cncs2 34a_100000211376_100015185245 [0,1,0,1,0,0|1,1,0]=4 17496 B14R2.50 CC1CCCCN1Cc2cocn2 270004a_100000211376_100000050382 [0,1,0,1,0,0|2,0,0]=4 17497 B14R2.50 CC1CCCCN1Cc2cscn2 2230a_100000211376_100000205941 [0,1,0,1,0,0|2,0,0]=4 17498 B14R2.50 CC1CCCCN1Cc2cscn2 269982a_100000211376_100000205941 [0,1,0,1,0,0|2,0,0]=4 17499 B14R2.50 CC1CCCCN1Cc2cscn2 270004a_100000211376_100000743575 [0,1,0,1,0,0|2,0,0]=4 17500 B14R2.50 CC1CCCCN1Cc2cscn2 34a_100000211376_100000205941 [0,1,0,1,0,0|2,0,0]=4 17501 B14R2.50 CC1CCCCN1Cc2ncc[nH]2 2230a_100000211376_100016991755 [0,1,0,1,0,0|2,0,0]=4 17502 B14R2.50 CC1CCCCN1Cc2ncc[nH]2 269982a_100000211376_100016991755 [0,1,0,1,0,0|2,0,0]=4 17503 B14R2.50 CC1CCCCN1Cc2ncc[nH]2 34a_100000211376_100016991755 [0,1,0,1,0,0|2,0,0]=4 17504 B14R2.50 CC1CCCCN1Cc2ncco2 2230a_100000211376_103436540062 [0,1,0,1,0,0|1,0,0]=3 17505 B14R2.50 CC1CCCCN1Cc2ncco2 269982a_100000211376_103436540062 [0,1,0,1,0,0|1,0,0]=3 17506 B14R2.50 CC1CCCCN1Cc2ncco2 270004a_100000211376_100000064290 [0,1,0,1,0,0|1,0,0]=3 17507 B14R2.50 CC1CCCCN1Cc2ncco2 34a_100000211376_103436540062 [0,1,0,1,0,0|1,0,0]=3 17508 B14R2.50 CC1CCCCN1Cc2nccs2 2230a_100000211376_100015184050 [0,1,0,1,0,0|1,1,0]=4 17509 B14R2.50 CC1CCCCN1Cc2nccs2 269982a_100000211376_100015184050 [0,1,0,1,0,0|1,1,0]=4 17510 B14R2.50 CC1CCCCN1Cc2nccs2 270004a_100000211376_100000750902 [0,1,0,1,0,0|1,1,0]=4 17511 B14R2.50 CC1CCCCN1Cc2nccs2 34a_100000211376_100015184050 [0,1,0,1,0,0|1,1,0]=4 17512 B14R2.50 C[C@H]1COCCN1Cc2ccco2 270004a_100009815349_100000186105 [0,1,0,1,0,0|1,0,0]=3 17513 B14R2.50 C[C@H]1COCCN1Cc2cccs2 270004a_100009815349_100000209959 [0,1,0,1,0,0|1,1,0]=4 17514 B14R2.50 C[C@H]1COCCN1Cc2cnco2 270004a_100009815349_100000064291 [0,1,0,1,0,0|2,0,0]=4 17515 B14R2.50 C[C@H]1COCCN1Cc2ncco2 2230a_100009815349_103436540062 [0,1,0,1,0,0|2,0,0]=4 17516 B14R2.50 C[C@H]1COCCN1Cc2ncco2 269982a_100009815349_103436540062 [0,1,0,1,0,0|2,0,0]=4 17517 B14R2.50 C[C@H]1COCCN1Cc2ncco2 270004a_100009815349_100000064290 [0,1,0,1,0,0|2,0,0]=4 17518 B14R2.50 C[C@H]1COCCN1Cc2ncco2 34a_100009815349_103436540062 [0,1,0,1,0,0|2,0,0]=4 17519 B14R2.50 FC1CCCCC1Sc2ccco2 62a_100009814098_100015423560 [0,1,0,1,0,0|1,0,0]=3 17520 B14R2.50 FC1CCCCC1Sc2ccco2 62a_100015423560_100009814098 [0,1,0,1,0,0|1,0,0]=3 17521 B14R2.50 FC1CCCCC1Sc2cccs2 62a_100011215356_100015423560 [0,1,0,1,0,0|1,1,0]=4 17522 B14R2.50 FC1CCCCC1Sc2cccs2 62a_100015423560_100011215356 [0,1,0,1,0,0|1,1,0]=4 17523 B14R2.50 FC1CCCCC1Sc2cnco2 62a_100015423560_100020591547 [0,1,0,1,0,0|2,0,0]=4 17524 B14R2.50 FC1CCCCC1Sc2cnco2 62a_100020591547_100015423560 [0,1,0,1,0,0|2,0,0]=4 17525 B14R2.50 FC1CCCCC1Sc2ncco2 62a_100011787736_100015423560 [0,1,0,1,0,0|2,0,0]=4 17526 B14R2.50 FC1CCCCC1Sc2ncco2 62a_100015423560_100011787736 [0,1,0,1,0,0|2,0,0]=4 17527 B14R2.50 O=C1CCCCC1Sc2ccco2 62a_100000204591_100009814098 [0,1,0,1,0,0|1,0,1]=4 17528 B14R2.50 O=C1CCCCC1Sc2ccco2 62a_100009814098_100000204591 [0,1,0,1,0,0|1,0,1]=4 17529 B14R2.50 OC1CCCCC1Sc2ccco2 62a_100000038908_100009814098 [0,1,0,1,0,0|1,0,0]=3 17530 B14R2.50 OC1CCCCC1Sc2ccco2 62a_100009814098_100000038908 [0,1,0,1,0,0|1,0,0]=3 17531 B14R2.50 OC1CCCCC1Sc2cccs2 62a_100000038908_100011215356 [0,1,0,1,0,0|1,1,0]=4 17532 B14R2.50 OC1CCCCC1Sc2cccs2 62a_100011215356_100000038908 [0,1,0,1,0,0|1,1,0]=4 17533 B14R2.50 OC1CCCCC1Sc2cnco2 62a_100000038908_100020591547 [0,1,0,1,0,0|2,0,0]=4 17534 B14R2.50 OC1CCCCC1Sc2cnco2 62a_100020591547_100000038908 [0,1,0,1,0,0|2,0,0]=4 17535 B14R2.50 OC1CCCCC1Sc2ncco2 62a_100000038908_100011787736 [0,1,0,1,0,0|2,0,0]=4 17536 B14R2.50 OC1CCCCC1Sc2ncco2 62a_100011787736_100000038908 [0,1,0,1,0,0|2,0,0]=4 17537 B14R2.83 CCC1CCCN1Cc2c[nH]cn2 2230a_100000754278_100000707719 [0,1,0,1,0,0|2,0,0]=4 17538 B14R2.83 CCC1CCCN1Cc2c[nH]cn2 269982a_100000754278_100000707719 [0,1,0,1,0,0|2,0,0]=4 17539 B14R2.83 CCC1CCCN1Cc2c[nH]cn2 34a_100000754278_100000707719 [0,1,0,1,0,0|2,0,0]=4 17540 B14R2.83 CCC1CCCN1Cc2cc[nH]n2 270004a_100000754278_100000738523 [0,1,0,1,0,0|2,0,0]=4 17541 B14R2.83 CCC1CCCN1Cc2ccco2 270004a_100000754278_100000186105 [0,1,0,1,0,0|0,0,0]=2 17542 B14R2.83 CCC1CCCN1Cc2cccs2 270004a_100000754278_100000209959 [0,1,0,1,0,0|0,1,0]=3 17543 B14R2.83 CCC1CCCN1Cc2ccn[nH]2 2230a_100000754278_100000728653 [0,1,0,1,0,0|2,0,0]=4 17544 B14R2.83 CCC1CCCN1Cc2ccn[nH]2 269982a_100000754278_100000728653 [0,1,0,1,0,0|2,0,0]=4 17545 B14R2.83 CCC1CCCN1Cc2ccn[nH]2 34a_100000754278_100000728653 [0,1,0,1,0,0|2,0,0]=4 17546 B14R2.83 CCC1CCCN1Cc2ccoc2 270004a_100000754278_100011215517 [0,1,0,1,0,0|2,0,0]=4 17547 B14R2.83 CCC1CCCN1Cc2ccon2 2230a_100000754278_100000234950 [0,1,0,1,0,0|2,0,0]=4 17548 B14R2.83 CCC1CCCN1Cc2ccon2 269982a_100000754278_100000234950 [0,1,0,1,0,0|2,0,0]=4 17549 B14R2.83 CCC1CCCN1Cc2ccon2 34a_100000754278_100000234950 [0,1,0,1,0,0|2,0,0]=4 17550 B14R2.83 CCC1CCCN1Cc2ccsc2 2230a_100000754278_100011261437 [0,1,0,1,0,0|2,0,0]=4 17551 B14R2.83 CCC1CCCN1Cc2ccsc2 269982a_100000754278_100011233845 [0,1,0,1,0,0|2,0,0]=4 17552 B14R2.83 CCC1CCCN1Cc2ccsc2 270004a_100000754278_100000188534 [0,1,0,1,0,0|2,0,0]=4 17553 B14R2.83 CCC1CCCN1Cc2ccsc2 34a_100000754278_100011261437 [0,1,0,1,0,0|2,0,0]=4 17554 B14R2.83 CCC1CCCN1Cc2cnco2 270004a_100000754278_100000064291 [0,1,0,1,0,0|1,0,0]=3 17555 B14R2.83 CCC1CCCN1Cc2cncs2 2230a_100000754278_100015185245 [0,1,0,1,0,0|1,1,0]=4 17556 B14R2.83 CCC1CCCN1Cc2cncs2 269982a_100000754278_100015185245 [0,1,0,1,0,0|1,1,0]=4 17557 B14R2.83 CCC1CCCN1Cc2cncs2 270004a_100000754278_100000749870 [0,1,0,1,0,0|1,1,0]=4 17558 B14R2.83 CCC1CCCN1Cc2cncs2 34a_100000754278_100015185245 [0,1,0,1,0,0|1,1,0]=4 17559 B14R2.83 CCC1CCCN1Cc2cocn2 270004a_100000754278_100000050382 [0,1,0,1,0,0|2,0,0]=4 17560 B14R2.83 CCC1CCCN1Cc2cscn2 2230a_100000754278_100000205941 [0,1,0,1,0,0|2,0,0]=4 17561 B14R2.83 CCC1CCCN1Cc2cscn2 269982a_100000754278_100000205941 [0,1,0,1,0,0|2,0,0]=4 17562 B14R2.83 CCC1CCCN1Cc2cscn2 270004a_100000754278_100000743575 [0,1,0,1,0,0|2,0,0]=4 17563 B14R2.83 CCC1CCCN1Cc2cscn2 34a_100000754278_100000205941 [0,1,0,1,0,0|2,0,0]=4 17564 B14R2.83 CCC1CCCN1Cc2ncc[nH]2 2230a_100000754278_100016991755 [0,1,0,1,0,0|2,0,0]=4 17565 B14R2.83 CCC1CCCN1Cc2ncc[nH]2 269982a_100000754278_100016991755 [0,1,0,1,0,0|2,0,0]=4 17566 B14R2.83 CCC1CCCN1Cc2ncc[nH]2 34a_100000754278_100016991755 [0,1,0,1,0,0|2,0,0]=4 17567 B14R2.83 CCC1CCCN1Cc2ncco2 2230a_100000754278_103436540062 [0,1,0,1,0,0|1,0,0]=3 17568 B14R2.83 CCC1CCCN1Cc2ncco2 269982a_100000754278_103436540062 [0,1,0,1,0,0|1,0,0]=3 17569 B14R2.83 CCC1CCCN1Cc2ncco2 270004a_100000754278_100000064290 [0,1,0,1,0,0|1,0,0]=3 17570 B14R2.83 CCC1CCCN1Cc2ncco2 34a_100000754278_103436540062 [0,1,0,1,0,0|1,0,0]=3 17571 B14R2.83 CCC1CCCN1Cc2nccs2 2230a_100000754278_100015184050 [0,1,0,1,0,0|1,1,0]=4 17572 B14R2.83 CCC1CCCN1Cc2nccs2 269982a_100000754278_100015184050 [0,1,0,1,0,0|1,1,0]=4 17573 B14R2.83 CCC1CCCN1Cc2nccs2 270004a_100000754278_100000750902 [0,1,0,1,0,0|1,1,0]=4 17574 B14R2.83 CCC1CCCN1Cc2nccs2 34a_100000754278_100015184050 [0,1,0,1,0,0|1,1,0]=4 17575 B14R2.83 CCN1CCCC1Cn2cccn2 2230a_100000753591_100000210202 [0,1,0,1,0,0|2,0,0]=4 17576 B14R2.83 CCN1CCCC1Cn2cccn2 269982a_100000753591_100000204670 [0,1,0,1,0,0|2,0,0]=4 17577 B14R2.83 CCN1CCCC1Cn2cccn2 34a_100000753591_100000210202 [0,1,0,1,0,0|2,0,0]=4 17578 B14R2.83 N#C[C@H]1CCCN1Cc2ccco2 270004a_106645074975_100000186105 [0,1,0,1,0,0|1,0,1]=4 17579 B14R2.83 OC[C@H]1CCCN1Cc2ccco2 270004a_100000745186_100000186105 [0,1,0,1,0,0|1,0,0]=3 17580 B14R2.83 OC[C@H]1CCCN1Cc2cccs2 270004a_100000745186_100000209959 [0,1,0,1,0,0|1,1,0]=4 17581 B14R2.83 OC[C@H]1CCCN1Cc2cnco2 270004a_100000745186_100000064291 [0,1,0,1,0,0|2,0,0]=4 17582 B14R2.83 OC[C@H]1CCCN1Cc2ncco2 2230a_100000745186_103436540062 [0,1,0,1,0,0|2,0,0]=4 17583 B14R2.83 OC[C@H]1CCCN1Cc2ncco2 269982a_100000745186_103436540062 [0,1,0,1,0,0|2,0,0]=4 17584 B14R2.83 OC[C@H]1CCCN1Cc2ncco2 270004a_100000745186_100000064290 [0,1,0,1,0,0|2,0,0]=4 17585 B14R2.83 OC[C@H]1CCCN1Cc2ncco2 34a_100000745186_103436540062 [0,1,0,1,0,0|2,0,0]=4 17586 B14R2.98 CCN1CCCCC1c2cccs2 2230a_200011804124_100000210202 [0,1,0,1,0,0|0,1,0]=3 17587 B14R2.98 CCN1CCCCC1c2cccs2 269982a_200011804124_100000204670 [0,1,0,1,0,0|0,1,0]=3 17588 B14R2.98 CCN1CCCCC1c2cccs2 34a_200011804124_100000210202 [0,1,0,1,0,0|0,1,0]=3 17589 B14R2.98 CCN1CCCCC1c2nccs2 2230a_100000748947_100000210202 [0,1,0,1,0,0|1,1,0]=4 17590 B14R2.98 CCN1CCCCC1c2nccs2 269982a_100000748947_100000204670 [0,1,0,1,0,0|1,1,0]=4 17591 B14R2.98 FCN1CCCCC1c2cccs2 269982a_200011804124_100015361967 [0,1,0,1,0,0|1,1,0]=4 17592 B14R2.98 FCN1CCCCC1c2cccs2 34a_200011804124_100015361967 [0,1,0,1,0,0|1,1,0]=4 17593 B14R2.245 C#CCN1CCCC1c2ccco2 2230a_100011206061_100000038162 [0,1,0,1,0,0|0,0,2]=4 17594 B14R2.245 C=CCN1CCCC1c2ccco2 2230a_100011206061_100000210623 [0,1,0,1,0,0|0,0,2]=4 17595 B14R2.245 C=CCN1CCCC1c2ccco2 269982a_100011206061_100000210623 [0,1,0,1,0,0|0,0,2]=4 17596 B14R2.245 CCCN1CCCC1c2ccco2 2230a_100011206061_100000210303 [0,1,0,1,0,0|0,0,0]=2 17597 B14R2.245 CCCN1CCCC1c2ccco2 269982a_100011206061_100000210303 [0,1,0,1,0,0|0,0,0]=2 17598 B14R2.245 CCCN1CCCC1c2cccs2 2230a_100000185107_100000210303 [0,1,0,1,0,0|0,1,0]=3 17599 B14R2.245 CCCN1CCCC1c2cccs2 269982a_100000185107_100000210303 [0,1,0,1,0,0|0,1,0]=3 17600 B14R2.245 CCCN1CCCC1c2cccs2 34a_100000185107_100000210303 [0,1,0,1,0,0|0,1,0]=3 17601 B14R2.245 CCCN1CCCC1c2ncc[nH]2 2230a_100000696250_100000210303 [0,1,0,1,0,0|2,0,0]=4 17602 B14R2.245 CCCN1CCCC1c2ncc[nH]2 269982a_100000696250_100000210303 [0,1,0,1,0,0|2,0,0]=4 17603 B14R2.245 CCCN1CCCC1c2nccs2 2230a_100102564405_100000210303 [0,1,0,1,0,0|1,1,0]=4 17604 B14R2.245 CCCN1CCCC1c2nccs2 269982a_100102564405_100000210303 [0,1,0,1,0,0|1,1,0]=4 17605 B14R2.245 COCN1CCCC1c2ccco2 2230a_100011206061_100000766300 [0,1,0,1,0,0|1,0,0]=3 17606 B14R2.245 COCN1CCCC1c2ccco2 269982a_100011206061_100000766300 [0,1,0,1,0,0|1,0,0]=3 17607 B14R2.245 COCN1CCCC1c2cccs2 2230a_100000185107_100000766300 [0,1,0,1,0,0|1,1,0]=4 17608 B14R2.245 COCN1CCCC1c2cccs2 269982a_100000185107_100000766300 [0,1,0,1,0,0|1,1,0]=4 17609 B14R2.245 CSCN1CCCC1c2ccco2 2230a_100011206061_100011218213 [0,1,0,1,0,0|1,0,0]=3 17610 B14R2.245 CSCN1CCCC1c2ccco2 269982a_100011206061_100011218213 [0,1,0,1,0,0|1,0,0]=3 17611 B14R2.245 CSCN1CCCC1c2cccs2 2230a_100000185107_100011218213 [0,1,0,1,0,0|1,1,0]=4 17612 B14R2.245 CSCN1CCCC1c2cccs2 269982a_100000185107_100011218213 [0,1,0,1,0,0|1,1,0]=4 17613 B14R2.245 CSCN1CCCC1c2cccs2 34a_100000185107_100011218213 [0,1,0,1,0,0|1,1,0]=4 17614 B14R2.245 FCCN1CCCC1c2ccco2 2230a_100011206061_100011217306 [0,1,0,1,0,0|1,0,0]=3 17615 B14R2.245 FCCN1CCCC1c2ccco2 269982a_100011206061_100011217306 [0,1,0,1,0,0|1,0,0]=3 17616 B14R2.245 FCCN1CCCC1c2cccs2 2230a_100000185107_100011217306 [0,1,0,1,0,0|1,1,0]=4 17617 B14R2.245 FCCN1CCCC1c2cccs2 269982a_100000185107_100011217306 [0,1,0,1,0,0|1,1,0]=4 17618 B14R2.245 FCCN1CCCC1c2cccs2 34a_100000185107_100011217306 [0,1,0,1,0,0|1,1,0]=4 17619 B14R2.245 N#CCN1CCCC1c2ccco2 2230a_100011206061_100011215382 [0,1,0,1,0,0|1,0,1]=4 17620 B14R2.245 N#CCN1CCCC1c2ccco2 269982a_100011206061_100011214920 [0,1,0,1,0,0|1,0,1]=4 17621 B14R2.245 O=CCN1CCCC1c2ccco2 2230a_100011206061_200015260668 [0,1,0,1,0,0|1,0,1]=4 17622 B14R2.245 O=CCN1CCCC1c2ccco2 269982a_100011206061_200015260668 [0,1,0,1,0,0|1,0,1]=4 17623 B14R2.245 OCCN1CCCC1c2ccco2 2230a_100011206061_100000211926 [0,1,0,1,0,0|1,0,0]=3 17624 B14R2.245 OCCN1CCCC1c2ccco2 269982a_100011206061_100000211926 [0,1,0,1,0,0|1,0,0]=3 17625 B14R2.245 OCCN1CCCC1c2cccs2 2230a_100000185107_100000211926 [0,1,0,1,0,0|1,1,0]=4 17626 B14R2.245 OCCN1CCCC1c2cccs2 269982a_100000185107_100000211926 [0,1,0,1,0,0|1,1,0]=4 17627 B14R2.245 OCCN1CCCC1c2cccs2 34a_100000185107_100000211926 [0,1,0,1,0,0|1,1,0]=4 17628 B14R2.322 C(#Cc1ccco1)CC2CCCC2 271570a_200010126907_100009814098 [0,1,0,1,0,0|0,0,1]=3 17629 B14R2.322 C(#Cc1cccs1)CC2CCCC2 271570a_200010126907_100011215356 [0,1,0,1,0,0|0,1,1]=4 17630 B14R2.322 C(#Cc1cnco1)CC2CCCC2 271570a_200010126907_100020591547 [0,1,0,1,0,0|1,0,1]=4 17631 B14R2.322 C(#Cc1ncco1)CC2CCCC2 271570a_200010126907_100011787736 [0,1,0,1,0,0|1,0,1]=4 17632 B14R2.322 C(=Cc1ccco1)CC2CCCC2 271570a_200000069456_100009814098 [0,1,0,1,0,0|0,0,1]=3 17633 B14R2.322 C(=Cc1ccco1)CN2CCCC2 270004a_100000188435_100000185671 [0,1,0,1,0,0|0,0,2]=4 17634 B14R2.322 C(=Cc1cccs1)CC2CCCC2 271570a_200000069456_100011215356 [0,1,0,1,0,0|0,1,1]=4 17635 B14R2.322 C(=Cc1cnco1)CC2CCCC2 271570a_200000069456_100020591547 [0,1,0,1,0,0|1,0,1]=4 17636 B14R2.322 C(=Cc1ncco1)CC2CCCC2 271570a_200000069456_100011787736 [0,1,0,1,0,0|1,0,1]=4 17637 B14R2.322 C(=NNC1CCCC1)c2ccco2 4a_100000737850_100000186105 [0,1,0,1,0,0|1,0,1]=4 17638 B14R2.322 c1c[nH]c(n1)CCNC2CCCC2 270004a_100000754300_100000210133 [0,1,0,1,0,0|2,0,0]=4 17639 B14R2.322 c1c[nH]c(n1)CCOC2CCCC2 34a_103549771195_100000179811 [0,1,0,1,0,0|2,0,0]=4 17640 B14R2.322 c1c[nH]c(n1)CNCC2CCCC2 207a_100000737975_100000743867 [0,1,0,1,0,0|2,0,0]=4 17641 B14R2.322 c1c[nH]c(n1)CNCC2CCCC2 2230a_100000737975_100016991755 [0,1,0,1,0,0|2,0,0]=4 17642 B14R2.322 c1c[nH]c(n1)CNCC2CCCC2 34a_100000737975_100016991755 [0,1,0,1,0,0|2,0,0]=4 17643 B14R2.322 c1c[nH]c(n1)COCC2CCCC2 34a_100000742336_100016991755 [0,1,0,1,0,0|2,0,0]=4 17644 B14R2.322 c1c[nH]c(n1)COCC2CCCC2 7a_100000742336_100000753453 [0,1,0,1,0,0|2,0,0]=4 17645 B14R2.322 c1c[nH]c(n1)CSCC2CCCC2 62a_100000740388_100016991755 [0,1,0,1,0,0|2,0,0]=4 17646 B14R2.322 c1c[nH]c(n1)CSCC2CCCC2 62a_100016991755_100000740388 [0,1,0,1,0,0|2,0,0]=4 17647 B14R2.322 c1c[nH]c(n1)SCCC2CCCC2 62a_100000760354_100025796157 [0,1,0,1,0,0|2,0,0]=4 17648 B14R2.322 c1c[nH]c(n1)SCCC2CCCC2 62a_100025796157_100000760354 [0,1,0,1,0,0|2,0,0]=4 17649 B14R2.322 c1cc([nH]n1)CNCC2CCCC2 2230a_100000737975_100000728653 [0,1,0,1,0,0|2,0,0]=4 17650 B14R2.322 c1cc([nH]n1)CNCC2CCCC2 34a_100000737975_100000728653 [0,1,0,1,0,0|2,0,0]=4 17651 B14R2.322 c1cc([nH]n1)COCC2CCCC2 34a_100000742336_100000728653 [0,1,0,1,0,0|2,0,0]=4 17652 B14R2.322 c1cc([nH]n1)COCC2CCCC2 7a_100000742336_100000728653 [0,1,0,1,0,0|2,0,0]=4 17653 B14R2.322 c1cc([nH]n1)CSCC2CCCC2 62a_100000728653_100000740388 [0,1,0,1,0,0|2,0,0]=4 17654 B14R2.322 c1cc([nH]n1)CSCC2CCCC2 62a_100000740388_100000728653 [0,1,0,1,0,0|2,0,0]=4 17655 B14R2.322 c1cc(co1)CNCC2CCCC2 207a_100000737975_100011215517 [0,1,0,1,0,0|2,0,0]=4 17656 B14R2.322 c1cc(co1)CNCC2CCCC2 2230a_100015206860_100000740388 [0,1,0,1,0,0|2,0,0]=4 17657 B14R2.322 c1cc(co1)CNCC2CCCC2 269862a_100015206860_100000746403 [0,1,0,1,0,0|2,0,0]=4 17658 B14R2.322 c1cc(co1)CNCC2CCCC2 270004a_100000737975_100011215517 [0,1,0,1,0,0|2,0,0]=4 17659 B14R2.322 c1cc(co1)CNCC2CCCC2 34a_100015206860_100000740388 [0,1,0,1,0,0|2,0,0]=4 17660 B14R2.322 c1cc(co1)COCC2CCCC2 34a_100011215357_100000740388 [0,1,0,1,0,0|2,0,0]=4 17661 B14R2.322 c1cc(co1)SCCC2CCCC2 62a_100000760354_100011215275 [0,1,0,1,0,0|2,0,0]=4 17662 B14R2.322 c1cc(co1)SCCC2CCCC2 62a_100011215275_100000760354 [0,1,0,1,0,0|2,0,0]=4 17663 B14R2.322 c1cc(cs1)CCNC2CCCC2 2230a_100000692642_100000179811 [0,1,0,1,0,0|2,0,0]=4 17664 B14R2.322 c1cc(cs1)CCNC2CCCC2 270004a_100000692642_100000210133 [0,1,0,1,0,0|2,0,0]=4 17665 B14R2.322 c1cc(cs1)CCNC2CCCC2 34a_100000692642_100000179811 [0,1,0,1,0,0|2,0,0]=4 17666 B14R2.322 c1cc(cs1)CCOC2CCCC2 34a_100000748821_100000179811 [0,1,0,1,0,0|2,0,0]=4 17667 B14R2.322 c1cc(cs1)CNCC2CCCC2 207a_100000737975_100000188534 [0,1,0,1,0,0|2,0,0]=4 17668 B14R2.322 c1cc(cs1)CNCC2CCCC2 2230a_100000186416_100000740388 [0,1,0,1,0,0|2,0,0]=4 17669 B14R2.322 c1cc(cs1)CNCC2CCCC2 2230a_100000737975_100011261437 [0,1,0,1,0,0|2,0,0]=4 17670 B14R2.322 c1cc(cs1)CNCC2CCCC2 269862a_100000186416_100000746403 [0,1,0,1,0,0|2,0,0]=4 17671 B14R2.322 c1cc(cs1)CNCC2CCCC2 270004a_100000737975_100000188534 [0,1,0,1,0,0|2,0,0]=4 17672 B14R2.322 c1cc(cs1)CNCC2CCCC2 34a_100000186416_100000740388 [0,1,0,1,0,0|2,0,0]=4 17673 B14R2.322 c1cc(cs1)CNCC2CCCC2 34a_100000737975_100011261437 [0,1,0,1,0,0|2,0,0]=4 17674 B14R2.322 c1cc(cs1)COCC2CCCC2 34a_100000742336_100011261437 [0,1,0,1,0,0|2,0,0]=4 17675 B14R2.322 c1cc(cs1)COCC2CCCC2 34a_100011215551_100000740388 [0,1,0,1,0,0|2,0,0]=4 17676 B14R2.322 c1cc(cs1)COCC2CCCC2 7a_100000742336_100011261437 [0,1,0,1,0,0|2,0,0]=4 17677 B14R2.322 c1cc(cs1)CSCC2CCCC2 62a_100000740388_100011233845 [0,1,0,1,0,0|2,0,0]=4 17678 B14R2.322 c1cc(cs1)CSCC2CCCC2 62a_100011261437_100000740388 [0,1,0,1,0,0|2,0,0]=4 17679 B14R2.322 c1cc(cs1)OCCC2CCCC2 34a_100000106738_100000760354 [0,1,0,1,0,0|2,0,0]=4 17680 B14R2.322 c1cc(cs1)OCCC2CCCC2 7a_100000106738_100000760354 [0,1,0,1,0,0|2,0,0]=4 17681 B14R2.322 c1cc(cs1)SCCC2CCCC2 62a_100000738268_100000760354 [0,1,0,1,0,0|2,0,0]=4 17682 B14R2.322 c1cc(cs1)SCCC2CCCC2 62a_100000760354_100000738268 [0,1,0,1,0,0|2,0,0]=4 17683 B14R2.322 c1cc(n[nH]1)CNCC2CCCC2 207a_100000737975_100000738523 [0,1,0,1,0,0|2,0,0]=4 17684 B14R2.322 c1cc(n[nH]1)CNCC2CCCC2 269862a_100000739516_100000746403 [0,1,0,1,0,0|2,0,0]=4 17685 B14R2.322 c1cc(n[nH]1)CNCC2CCCC2 270004a_100000737975_100000738523 [0,1,0,1,0,0|2,0,0]=4 17686 B14R2.322 c1cc(n[nH]1)SCCC2CCCC2 62a_100000062575_100000760354 [0,1,0,1,0,0|2,0,0]=4 17687 B14R2.322 c1cc(n[nH]1)SCCC2CCCC2 62a_100000760354_100000062575 [0,1,0,1,0,0|2,0,0]=4 17688 B14R2.322 c1cc(no1)CNCC2CCCC2 2230a_100000737975_100000234950 [0,1,0,1,0,0|2,0,0]=4 17689 B14R2.322 c1cc(no1)CNCC2CCCC2 269862a_100000688301_100000746403 [0,1,0,1,0,0|2,0,0]=4 17690 B14R2.322 c1cc(no1)CNCC2CCCC2 34a_100000737975_100000234950 [0,1,0,1,0,0|2,0,0]=4 17691 B14R2.322 c1cc(no1)COCC2CCCC2 34a_100000742336_100000234950 [0,1,0,1,0,0|2,0,0]=4 17692 B14R2.322 c1cc(no1)COCC2CCCC2 7a_100000742336_100000234950 [0,1,0,1,0,0|2,0,0]=4 17693 B14R2.322 c1cc(no1)CSCC2CCCC2 62a_100000234950_100000740388 [0,1,0,1,0,0|2,0,0]=4 17694 B14R2.322 c1cc(no1)CSCC2CCCC2 62a_100000740388_100000234950 [0,1,0,1,0,0|2,0,0]=4 17695 B14R2.322 c1cc(no1)SCCC2CCCC2 62a_100000760354_100009818083 [0,1,0,1,0,0|2,0,0]=4 17696 B14R2.322 c1cc(no1)SCCC2CCCC2 62a_100009818083_100000760354 [0,1,0,1,0,0|2,0,0]=4 17697 B14R2.322 c1cc(ns1)SCCC2CCCC2 62a_100000760354_100009818082 [0,1,0,1,0,0|2,0,0]=4 17698 B14R2.322 c1cc(ns1)SCCC2CCCC2 62a_100009818082_100000760354 [0,1,0,1,0,0|2,0,0]=4 17699 B14R2.322 c1cc(on1)COCC2CCCC2 34a_100000740478_100000740388 [0,1,0,1,0,0|1,0,0]=3 17700 B14R2.322 c1cc(on1)COCC2CCOC2 34a_100000740478_100011261433 [0,1,0,1,0,0|2,0,0]=4 17701 B14R2.322 c1ccn(c1)CCCN2CCCC2 2230a_100000188435_200009814367 [0,1,0,1,0,0|2,0,0]=4 17702 B14R2.322 c1ccn(c1)CCCN2CCCC2 269982a_100000188435_200009814367 [0,1,0,1,0,0|2,0,0]=4 17703 B14R2.322 c1ccn(c1)CCNC2CCCC2 2230a_100000211070_200009811947 [0,1,0,1,0,0|2,0,0]=4 17704 B14R2.322 c1ccn(c1)CCNC2CCCC2 270004a_100011368172_100000210133 [0,1,0,1,0,0|2,0,0]=4 17705 B14R2.322 c1ccn(c1)CCNC2CCCC2 34a_100011368172_100000179811 [0,1,0,1,0,0|2,0,0]=4 17706 B14R2.322 c1ccn(c1)CCOC2CCCC2 34a_100000179382_100000179811 [0,1,0,1,0,0|2,0,0]=4 17707 B14R2.322 c1ccn(c1)CCOC2CCCC2 7a_100000210269_200000035178 [0,1,0,1,0,0|2,0,0]=4 17708 B14R2.322 c1ccn(c1)CCSC2CCCC2 62a_100011217020_200000035178 [0,1,0,1,0,0|2,0,0]=4 17709 B14R2.322 c1ccn(c1)CCSC2CCCC2 62a_200009811947_100000179811 [0,1,0,1,0,0|2,0,0]=4 17710 B14R2.322 c1cnn(c1)CCCN2CCCC2 2230a_100000188435_100000739983 [0,1,0,1,0,0|2,0,0]=4 17711 B14R2.322 c1cnn(c1)CCCN2CCCC2 269982a_100000188435_100000739983 [0,1,0,1,0,0|2,0,0]=4 17712 B14R2.322 c1cnn(c1)CCNC2CCCC2 2230a_100000211070_100000685285 [0,1,0,1,0,0|2,0,0]=4 17713 B14R2.322 c1cnn(c1)CCNC2CCCC2 2230a_100011200920_100000179811 [0,1,0,1,0,0|2,0,0]=4 17714 B14R2.322 c1cnn(c1)CCNC2CCCC2 270004a_100011200920_100000210133 [0,1,0,1,0,0|2,0,0]=4 17715 B14R2.322 c1cnn(c1)CCNC2CCCC2 34a_100000211070_100015204718 [0,1,0,1,0,0|2,0,0]=4 17716 B14R2.322 c1cnn(c1)CCOC2CCCC2 34a_100000210269_100015204718 [0,1,0,1,0,0|2,0,0]=4 17717 B14R2.322 c1cnn(c1)CCOC2CCCC2 34a_100000743371_100000179811 [0,1,0,1,0,0|2,0,0]=4 17718 B14R2.322 c1cnn(c1)CCOC2CCCC2 7a_100000210269_100000685285 [0,1,0,1,0,0|2,0,0]=4 17719 B14R2.322 c1cnn(c1)CCSC2CCCC2 62a_100011217020_100000685285 [0,1,0,1,0,0|2,0,0]=4 17720 B14R2.322 c1cnn(c1)CCSC2CCCC2 62a_100015204718_100000179811 [0,1,0,1,0,0|2,0,0]=4 17721 B14R2.322 c1cnn(c1)COCC2CCCC2 34a_100000731028_100000740388 [0,1,0,1,0,0|2,0,0]=4 17722 B14R2.322 c1coc(c1)CCNC2CCCC2 2230a_100000694680_100000179811 [0,1,0,1,0,0|0,0,0]=2 17723 B14R2.322 c1coc(c1)CCNC2CCCC2 270004a_100000694680_100000210133 [0,1,0,1,0,0|0,0,0]=2 17724 B14R2.322 c1coc(c1)CCNC2CCCC2 34a_100000694680_100000179811 [0,1,0,1,0,0|0,0,0]=2 17725 B14R2.322 c1coc(c1)CCNC2CCOC2 2230a_100000694680_100000731011 [0,1,0,1,0,0|1,0,0]=3 17726 B14R2.322 c1coc(c1)CCNC2CCOC2 270004a_100000694680_100000752484 [0,1,0,1,0,0|1,0,0]=3 17727 B14R2.322 c1coc(c1)CCNC2CCOC2 34a_100000694680_100000690089 [0,1,0,1,0,0|1,0,0]=3 17728 B14R2.322 c1coc(c1)CCNC2CCSC2 270004a_100000694680_100000212027 [0,1,0,1,0,0|1,0,0]=3 17729 B14R2.322 c1coc(c1)CNCC2CCCC2 207a_100000737975_100000186105 [0,1,0,1,0,0|0,0,0]=2 17730 B14R2.322 c1coc(c1)CNCC2CCCC2 2230a_100000185738_100000740388 [0,1,0,1,0,0|0,0,0]=2 17731 B14R2.322 c1coc(c1)CNCC2CCCC2 270004a_100000737975_100000186105 [0,1,0,1,0,0|0,0,0]=2 17732 B14R2.322 c1coc(c1)CNCC2CCCC2 34a_100000185738_100000740388 [0,1,0,1,0,0|0,0,0]=2 17733 B14R2.322 c1coc(c1)CNCC2CCCO2 2230a_100000185738_100000203698 [0,1,0,1,0,0|1,0,0]=3 17734 B14R2.322 c1coc(c1)CNCC2CCOC2 207a_100000737293_100000186105 [0,1,0,1,0,0|1,0,0]=3 17735 B14R2.322 c1coc(c1)CNCC2CCOC2 2230a_100000185738_100000702531 [0,1,0,1,0,0|1,0,0]=3 17736 B14R2.322 c1coc(c1)CNCC2CCOC2 270004a_100000737293_100000186105 [0,1,0,1,0,0|1,0,0]=3 17737 B14R2.322 c1coc(c1)CNCC2CCOC2 34a_100000185738_100011261433 [0,1,0,1,0,0|1,0,0]=3 17738 B14R2.322 c1coc(c1)CNCC2OCCO2 207a_100000036311_100000186105 [0,1,0,1,0,0|2,0,0]=4 17739 B14R2.322 c1coc(c1)CNCC2OCCO2 2230a_100000185738_100000755774 [0,1,0,1,0,0|2,0,0]=4 17740 B14R2.322 c1coc(c1)CNCC2OCCO2 270004a_100000036311_100000186105 [0,1,0,1,0,0|2,0,0]=4 17741 B14R2.322 c1coc(c1)CNCC2OCCO2 34a_100000185738_100000755774 [0,1,0,1,0,0|2,0,0]=4 17742 B14R2.322 c1coc(c1)CNC[C@@H]2CCCO2 207a_100020590478_100000186105 [0,1,0,1,0,0|1,0,0]=3 17743 B14R2.322 c1coc(c1)CNC[C@@H]2CCCO2 270004a_100020590478_100000186105 [0,1,0,1,0,0|1,0,0]=3 17744 B14R2.322 c1coc(c1)COCC2CCCC2 34a_100000210059_100000740388 [0,1,0,1,0,0|0,0,0]=2 17745 B14R2.322 c1coc(c1)COCC2CCOC2 34a_100000210059_100011261433 [0,1,0,1,0,0|1,0,0]=3 17746 B14R2.322 c1coc(c1)COCC2OCCO2 34a_100000210059_100000755774 [0,1,0,1,0,0|2,0,0]=4 17747 B14R2.322 c1coc(c1)SCCC2CCCC2 62a_100000760354_100009814098 [0,1,0,1,0,0|0,0,0]=2 17748 B14R2.322 c1coc(c1)SCCC2CCCC2 62a_100009814098_100000760354 [0,1,0,1,0,0|0,0,0]=2 17749 B14R2.322 c1coc(c1)SCCC2OCCO2 62a_100009814098_100000740749 [0,1,0,1,0,0|2,0,0]=4 17750 B14R2.322 c1coc(c1)SCCN2CCCC2 62a_100000700749_100009814098 [0,1,0,1,0,0|1,0,0]=3 17751 B14R2.322 c1coc(c1)SCCN2CCCC2 62a_100009814098_100000004467 [0,1,0,1,0,0|1,0,0]=3 17752 B14R2.322 c1coc(n1)CNCC2CCCC2 2230a_100000737975_103436540062 [0,1,0,1,0,0|1,0,0]=3 17753 B14R2.322 c1coc(n1)CNCC2CCCC2 2230a_100016994969_100000740388 [0,1,0,1,0,0|1,0,0]=3 17754 B14R2.322 c1coc(n1)CNCC2CCCC2 270004a_100000737975_100000064290 [0,1,0,1,0,0|1,0,0]=3 17755 B14R2.322 c1coc(n1)CNCC2CCCC2 34a_100000737975_103436540062 [0,1,0,1,0,0|1,0,0]=3 17756 B14R2.322 c1coc(n1)CNCC2CCCO2 2230a_100016994969_100000203698 [0,1,0,1,0,0|2,0,0]=4 17757 B14R2.322 c1coc(n1)CNCC2CCOC2 2230a_100000737293_103436540062 [0,1,0,1,0,0|2,0,0]=4 17758 B14R2.322 c1coc(n1)CNCC2CCOC2 2230a_100016994969_100000702531 [0,1,0,1,0,0|2,0,0]=4 17759 B14R2.322 c1coc(n1)CNCC2CCOC2 270004a_100000737293_100000064290 [0,1,0,1,0,0|2,0,0]=4 17760 B14R2.322 c1coc(n1)CNCC2CCOC2 34a_100000737293_103436540062 [0,1,0,1,0,0|2,0,0]=4 17761 B14R2.322 c1coc(n1)CNC[C@@H]2CCCO2 2230a_100020590478_103436540062 [0,1,0,1,0,0|2,0,0]=4 17762 B14R2.322 c1coc(n1)CNC[C@@H]2CCCO2 270004a_100020590478_100000064290 [0,1,0,1,0,0|2,0,0]=4 17763 B14R2.322 c1coc(n1)CNC[C@@H]2CCCO2 34a_100020590478_103436540062 [0,1,0,1,0,0|2,0,0]=4 17764 B14R2.322 c1coc(n1)COCC2CCCC2 34a_100000062594_100000740388 [0,1,0,1,0,0|1,0,0]=3 17765 B14R2.322 c1coc(n1)COCC2CCCC2 34a_100000742336_103436540062 [0,1,0,1,0,0|1,0,0]=3 17766 B14R2.322 c1coc(n1)COCC2CCCC2 7a_100000742336_103436540062 [0,1,0,1,0,0|1,0,0]=3 17767 B14R2.322 c1coc(n1)COCC2CCCO2 34a_100000210270_103436540062 [0,1,0,1,0,0|2,0,0]=4 17768 B14R2.322 c1coc(n1)COCC2CCCO2 7a_100000210270_103436540062 [0,1,0,1,0,0|2,0,0]=4 17769 B14R2.322 c1coc(n1)COCC2CCNC2 34a_100000748654_103436540062 [0,1,0,1,0,0|2,0,0]=4 17770 B14R2.322 c1coc(n1)COCC2CCOC2 34a_100000062594_100011261433 [0,1,0,1,0,0|2,0,0]=4 17771 B14R2.322 c1coc(n1)COCC2CCOC2 34a_100000740260_103436540062 [0,1,0,1,0,0|2,0,0]=4 17772 B14R2.322 c1coc(n1)COC[C@H]2CCCN2 34a_100000745186_103436540062 [0,1,0,1,0,0|2,0,0]=4 17773 B14R2.322 c1coc(n1)CSCC2CCCC2 62a_100000740388_103436540062 [0,1,0,1,0,0|1,0,0]=3 17774 B14R2.322 c1coc(n1)CSCC2CCCC2 62a_103436540062_100000740388 [0,1,0,1,0,0|1,0,0]=3 17775 B14R2.322 c1coc(n1)CSCC2CCCO2 62a_100000203698_103436540062 [0,1,0,1,0,0|2,0,0]=4 17776 B14R2.322 c1coc(n1)CSCC2CCCO2 62a_103436540062_100000203698 [0,1,0,1,0,0|2,0,0]=4 17777 B14R2.322 c1coc(n1)CSCC2CCOC2 62a_100000702531_103436540062 [0,1,0,1,0,0|2,0,0]=4 17778 B14R2.322 c1coc(n1)CSCC2CCOC2 62a_103436540062_100000702531 [0,1,0,1,0,0|2,0,0]=4 17779 B14R2.322 c1coc(n1)SCCC2CCCC2 62a_100000760354_100011787736 [0,1,0,1,0,0|1,0,0]=3 17780 B14R2.322 c1coc(n1)SCCC2CCCC2 62a_100011787736_100000760354 [0,1,0,1,0,0|1,0,0]=3 17781 B14R2.322 c1coc(n1)SCCN2CCCC2 62a_100000700749_100011787736 [0,1,0,1,0,0|2,0,0]=4 17782 B14R2.322 c1coc(n1)SCCN2CCCC2 62a_100011787736_100000004467 [0,1,0,1,0,0|2,0,0]=4 17783 B14R2.322 c1csc(c1)CCCN2CCCC2 2230a_100000188435_100010992444 [0,1,0,1,0,0|0,1,0]=3 17784 B14R2.322 c1csc(c1)CCCN2CCCC2 269982a_100000188435_100010992444 [0,1,0,1,0,0|0,1,0]=3 17785 B14R2.322 c1csc(c1)CCCN2CCSC2 2230a_100011215254_100010992444 [0,1,0,1,0,0|1,1,0]=4 17786 B14R2.322 c1csc(c1)CCCN2CCSC2 269982a_100011215254_100010992444 [0,1,0,1,0,0|1,1,0]=4 17787 B14R2.322 c1csc(c1)CCNC2CCCC2 2230a_100000203755_100000179811 [0,1,0,1,0,0|0,1,0]=3 17788 B14R2.322 c1csc(c1)CCNC2CCCC2 2230a_100000211070_100000748579 [0,1,0,1,0,0|0,1,0]=3 17789 B14R2.322 c1csc(c1)CCNC2CCCC2 270004a_100000203755_100000210133 [0,1,0,1,0,0|0,1,0]=3 17790 B14R2.322 c1csc(c1)CCNC2CCCC2 34a_100000203755_100000179811 [0,1,0,1,0,0|0,1,0]=3 17791 B14R2.322 c1csc(c1)CCNC2CCCC2 34a_100000211070_100000748579 [0,1,0,1,0,0|0,1,0]=3 17792 B14R2.322 c1csc(c1)CCNC2CCOC2 2230a_100000203755_100000731011 [0,1,0,1,0,0|1,1,0]=4 17793 B14R2.322 c1csc(c1)CCNC2CCOC2 270004a_100000203755_100000752484 [0,1,0,1,0,0|1,1,0]=4 17794 B14R2.322 c1csc(c1)CCNC2CCOC2 34a_100000203755_100000690089 [0,1,0,1,0,0|1,1,0]=4 17795 B14R2.322 c1csc(c1)CCNC2CCSC2 270004a_100000203755_100000212027 [0,1,0,1,0,0|1,1,0]=4 17796 B14R2.322 c1csc(c1)CCN[C@@H]2CCOC2 2230a_200015188469_100000748579 [0,1,0,1,0,0|1,1,0]=4 17797 B14R2.322 c1csc(c1)CCN[C@H]2CCOC2 2230a_100015188467_100000748579 [0,1,0,1,0,0|1,1,0]=4 17798 B14R2.322 c1csc(c1)CCN[C@H]2CCOC2 34a_100015188467_100000748579 [0,1,0,1,0,0|1,1,0]=4 17799 B14R2.322 c1csc(c1)CCOC2CCCC2 34a_100000210269_100000748579 [0,1,0,1,0,0|0,1,0]=3 17800 B14R2.322 c1csc(c1)CCOC2CCCC2 34a_100011216825_100000179811 [0,1,0,1,0,0|0,1,0]=3 17801 B14R2.322 c1csc(c1)CCOC2CCCC2 7a_100000210269_100000748579 [0,1,0,1,0,0|0,1,0]=3 17802 B14R2.322 c1csc(c1)CCOC2CCCC2 7a_100011216825_100000179811 [0,1,0,1,0,0|0,1,0]=3 17803 B14R2.322 c1csc(c1)CCOC2CCCO2 34a_100000085407_100000748579 [0,1,0,1,0,0|1,1,0]=4 17804 B14R2.322 c1csc(c1)CCOC2CCOC2 34a_100011216825_100000690089 [0,1,0,1,0,0|1,1,0]=4 17805 B14R2.322 c1csc(c1)CCOC2CCOC2 7a_100011216825_100000731011 [0,1,0,1,0,0|1,1,0]=4 17806 B14R2.322 c1csc(c1)CCOC2CCSC2 7a_100011232664_100000748579 [0,1,0,1,0,0|1,1,0]=4 17807 B14R2.322 c1csc(c1)CCO[C@H]2CCOC2 34a_100000717292_100000748579 [0,1,0,1,0,0|1,1,0]=4 17808 B14R2.322 c1csc(c1)CCSC2CCCC2 62a_100000748579_100000179811 [0,1,0,1,0,0|0,1,0]=3 17809 B14R2.322 c1csc(c1)CCSC2CCCC2 62a_100011217020_100000748579 [0,1,0,1,0,0|0,1,0]=3 17810 B14R2.322 c1csc(c1)CCSC2CCOC2 62a_100000748579_100000690089 [0,1,0,1,0,0|1,1,0]=4 17811 B14R2.322 c1csc(c1)CNCC2CCCC2 207a_100000737975_100000209959 [0,1,0,1,0,0|0,1,0]=3 17812 B14R2.322 c1csc(c1)CNCC2CCCC2 2230a_100000211653_100000740388 [0,1,0,1,0,0|0,1,0]=3 17813 B14R2.322 c1csc(c1)CNCC2CCCC2 269862a_100000211653_100000746403 [0,1,0,1,0,0|0,1,0]=3 17814 B14R2.322 c1csc(c1)CNCC2CCCC2 270004a_100000737975_100000209959 [0,1,0,1,0,0|0,1,0]=3 17815 B14R2.322 c1csc(c1)CNCC2CCCO2 2230a_100000211653_100000203698 [0,1,0,1,0,0|1,1,0]=4 17816 B14R2.322 c1csc(c1)CNCC2CCOC2 207a_100000737293_100000209959 [0,1,0,1,0,0|1,1,0]=4 17817 B14R2.322 c1csc(c1)CNCC2CCOC2 2230a_100000211653_100000702531 [0,1,0,1,0,0|1,1,0]=4 17818 B14R2.322 c1csc(c1)CNCC2CCOC2 270004a_100000737293_100000209959 [0,1,0,1,0,0|1,1,0]=4 17819 B14R2.322 c1csc(c1)CNC[C@@H]2CCCO2 207a_100020590478_100000209959 [0,1,0,1,0,0|1,1,0]=4 17820 B14R2.322 c1csc(c1)CNC[C@@H]2CCCO2 270004a_100020590478_100000209959 [0,1,0,1,0,0|1,1,0]=4 17821 B14R2.322 c1csc(c1)COCC2CCCC2 34a_100000211240_100000740388 [0,1,0,1,0,0|0,1,0]=3 17822 B14R2.322 c1csc(c1)COCC2CCOC2 34a_100000211240_100011261433 [0,1,0,1,0,0|1,1,0]=4 17823 B14R2.322 c1csc(c1)SCCC2CCCC2 62a_100000760354_100011215356 [0,1,0,1,0,0|0,1,0]=3 17824 B14R2.322 c1csc(c1)SCCC2CCCC2 62a_100011215356_100000760354 [0,1,0,1,0,0|0,1,0]=3 17825 B14R2.322 c1csc(c1)SCCN2CCCC2 62a_100000700749_100011215356 [0,1,0,1,0,0|1,1,0]=4 17826 B14R2.322 c1csc(c1)SCCN2CCCC2 62a_100011215356_100000004467 [0,1,0,1,0,0|1,1,0]=4 17827 B14R2.322 c1csc(n1)CCNC2CCCC2 2230a_100015186391_100000179811 [0,1,0,1,0,0|1,1,0]=4 17828 B14R2.322 c1csc(n1)CCNC2CCCC2 270004a_100015186391_100000210133 [0,1,0,1,0,0|1,1,0]=4 17829 B14R2.322 c1csc(n1)CNCC2CCCC2 207a_100000737975_100000750902 [0,1,0,1,0,0|1,1,0]=4 17830 B14R2.322 c1csc(n1)CNCC2CCCC2 2230a_100000737975_100015184050 [0,1,0,1,0,0|1,1,0]=4 17831 B14R2.322 c1csc(n1)CNCC2CCCC2 2230a_100000740555_100000740388 [0,1,0,1,0,0|1,1,0]=4 17832 B14R2.322 c1csc(n1)CNCC2CCCC2 269862a_100000740555_100000746403 [0,1,0,1,0,0|1,1,0]=4 17833 B14R2.322 c1csc(n1)CNCC2CCCC2 270004a_100000737975_100000750902 [0,1,0,1,0,0|1,1,0]=4 17834 B14R2.322 c1csc(n1)CNCC2CCCC2 34a_100000737975_100015184050 [0,1,0,1,0,0|1,1,0]=4 17835 B14R2.322 c1csc(n1)COCC2CCCC2 34a_100000742336_100015184050 [0,1,0,1,0,0|1,1,0]=4 17836 B14R2.322 c1csc(n1)COCC2CCCC2 7a_100000742336_100015184050 [0,1,0,1,0,0|1,1,0]=4 17837 B14R2.322 c1csc(n1)CSCC2CCCC2 62a_100000740388_100015184050 [0,1,0,1,0,0|1,1,0]=4 17838 B14R2.322 c1csc(n1)CSCC2CCCC2 62a_100015184050_100000740388 [0,1,0,1,0,0|1,1,0]=4 17839 B14R2.322 c1csc(n1)SCCC2CCCC2 62a_100000211983_100000760354 [0,1,0,1,0,0|1,1,0]=4 17840 B14R2.322 c1csc(n1)SCCC2CCCC2 62a_100000760354_100000211983 [0,1,0,1,0,0|1,1,0]=4 17841 B14R2.322 c1nc(c[nH]1)CCNC2CCCC2 2230a_100000211070_100020628418 [0,1,0,1,0,0|2,0,0]=4 17842 B14R2.322 c1nc(c[nH]1)CCNC2CCCC2 270004a_100000755092_100000210133 [0,1,0,1,0,0|2,0,0]=4 17843 B14R2.322 c1nc(c[nH]1)CCOC2CCCC2 7a_100000210269_100020628418 [0,1,0,1,0,0|2,0,0]=4 17844 B14R2.322 c1nc(c[nH]1)CCSC2CCCC2 62a_100011217020_100020628418 [0,1,0,1,0,0|2,0,0]=4 17845 B14R2.322 c1nc(c[nH]1)CCSC2CCCC2 62a_100020628418_100000179811 [0,1,0,1,0,0|2,0,0]=4 17846 B14R2.322 c1nc(c[nH]1)CNCC2CCCC2 2230a_100000737975_100000707719 [0,1,0,1,0,0|2,0,0]=4 17847 B14R2.322 c1nc(c[nH]1)CNCC2CCCC2 34a_100000737975_100000707719 [0,1,0,1,0,0|2,0,0]=4 17848 B14R2.322 c1nc(c[nH]1)COCC2CCCC2 34a_100000742336_100000707719 [0,1,0,1,0,0|2,0,0]=4 17849 B14R2.322 c1nc(c[nH]1)CSCC2CCCC2 62a_100000707719_100000740388 [0,1,0,1,0,0|2,0,0]=4 17850 B14R2.322 c1nc(c[nH]1)CSCC2CCCC2 62a_100000740388_100000707719 [0,1,0,1,0,0|2,0,0]=4 17851 B14R2.322 c1nc(c[nH]1)SCCC2CCCC2 62a_100000756875_100000760354 [0,1,0,1,0,0|2,0,0]=4 17852 B14R2.322 c1nc(c[nH]1)SCCC2CCCC2 62a_100000760354_100000756875 [0,1,0,1,0,0|2,0,0]=4 17853 B14R2.322 c1nc(co1)CNCC2CCCC2 269862a_100015188801_100000746403 [0,1,0,1,0,0|2,0,0]=4 17854 B14R2.322 c1nc(co1)CNCC2CCCC2 270004a_100000737975_100000050382 [0,1,0,1,0,0|2,0,0]=4 17855 B14R2.322 c1nc(cs1)CNCC2CCCC2 207a_100000737975_100000743575 [0,1,0,1,0,0|2,0,0]=4 17856 B14R2.322 c1nc(cs1)CNCC2CCCC2 2230a_100000737975_100000205941 [0,1,0,1,0,0|2,0,0]=4 17857 B14R2.322 c1nc(cs1)CNCC2CCCC2 2230a_100015185402_100000740388 [0,1,0,1,0,0|2,0,0]=4 17858 B14R2.322 c1nc(cs1)CNCC2CCCC2 269862a_100015185402_100000746403 [0,1,0,1,0,0|2,0,0]=4 17859 B14R2.322 c1nc(cs1)CNCC2CCCC2 270004a_100000737975_100000743575 [0,1,0,1,0,0|2,0,0]=4 17860 B14R2.322 c1nc(cs1)CNCC2CCCC2 34a_100000737975_100000205941 [0,1,0,1,0,0|2,0,0]=4 17861 B14R2.322 c1nc(cs1)COCC2CCCC2 34a_100000742336_100000205941 [0,1,0,1,0,0|2,0,0]=4 17862 B14R2.322 c1nc(cs1)COCC2CCCC2 7a_100000742336_100000205941 [0,1,0,1,0,0|2,0,0]=4 17863 B14R2.322 c1nc(cs1)CSCC2CCCC2 62a_100000205941_100000740388 [0,1,0,1,0,0|2,0,0]=4 17864 B14R2.322 c1nc(cs1)CSCC2CCCC2 62a_100000740388_100000205941 [0,1,0,1,0,0|2,0,0]=4 17865 B14R2.322 c1nc(cs1)SCCC2CCCC2 62a_100000751502_100000760354 [0,1,0,1,0,0|2,0,0]=4 17866 B14R2.322 c1nc(cs1)SCCC2CCCC2 62a_100000760354_100000751502 [0,1,0,1,0,0|2,0,0]=4 17867 B14R2.322 c1ncc([nH]1)CNCC2CCCC2 207a_100000737975_100000742939 [0,1,0,1,0,0|2,0,0]=4 17868 B14R2.322 c1ncc(o1)CNCC2CCCC2 269862a_100020634212_100000746403 [0,1,0,1,0,0|1,0,0]=3 17869 B14R2.322 c1ncc(o1)CNCC2CCCC2 270004a_100000737975_100000064291 [0,1,0,1,0,0|1,0,0]=3 17870 B14R2.322 c1ncc(o1)CNCC2CCOC2 270004a_100000737293_100000064291 [0,1,0,1,0,0|2,0,0]=4 17871 B14R2.322 c1ncc(o1)CNC[C@@H]2CCCO2 270004a_100020590478_100000064291 [0,1,0,1,0,0|2,0,0]=4 17872 B14R2.322 c1ncc(o1)SCCC2CCCC2 62a_100000760354_100020591547 [0,1,0,1,0,0|1,0,0]=3 17873 B14R2.322 c1ncc(o1)SCCC2CCCC2 62a_100020591547_100000760354 [0,1,0,1,0,0|1,0,0]=3 17874 B14R2.322 c1ncc(o1)SCCN2CCCC2 62a_100000700749_100020591547 [0,1,0,1,0,0|2,0,0]=4 17875 B14R2.322 c1ncc(o1)SCCN2CCCC2 62a_100020591547_100000004467 [0,1,0,1,0,0|2,0,0]=4 17876 B14R2.322 c1ncc(s1)CCNC2CCCC2 2230a_100016991637_100000179811 [0,1,0,1,0,0|1,1,0]=4 17877 B14R2.322 c1ncc(s1)CCNC2CCCC2 270004a_100016991637_100000210133 [0,1,0,1,0,0|1,1,0]=4 17878 B14R2.322 c1ncc(s1)CNCC2CCCC2 207a_100000737975_100000749870 [0,1,0,1,0,0|1,1,0]=4 17879 B14R2.322 c1ncc(s1)CNCC2CCCC2 2230a_100000737975_100015185245 [0,1,0,1,0,0|1,1,0]=4 17880 B14R2.322 c1ncc(s1)CNCC2CCCC2 2230a_100016987365_100000740388 [0,1,0,1,0,0|1,1,0]=4 17881 B14R2.322 c1ncc(s1)CNCC2CCCC2 269862a_100016987365_100000746403 [0,1,0,1,0,0|1,1,0]=4 17882 B14R2.322 c1ncc(s1)CNCC2CCCC2 270004a_100000737975_100000749870 [0,1,0,1,0,0|1,1,0]=4 17883 B14R2.322 c1ncc(s1)CNCC2CCCC2 34a_100000737975_100015185245 [0,1,0,1,0,0|1,1,0]=4 17884 B14R2.322 c1ncc(s1)COCC2CCCC2 34a_100000742336_100015185245 [0,1,0,1,0,0|1,1,0]=4 17885 B14R2.322 c1ncc(s1)COCC2CCCC2 7a_100000742336_100015185245 [0,1,0,1,0,0|1,1,0]=4 17886 B14R2.322 c1ncc(s1)CSCC2CCCC2 62a_100000740388_100015185245 [0,1,0,1,0,0|1,1,0]=4 17887 B14R2.322 c1ncc(s1)CSCC2CCCC2 62a_100015185245_100000740388 [0,1,0,1,0,0|1,1,0]=4 17888 B14R2.322 c1ncc(s1)SCCC2CCCC2 62a_100000760354_100011934649 [0,1,0,1,0,0|1,1,0]=4 17889 B14R2.322 c1ncc(s1)SCCC2CCCC2 62a_100011934649_100000760354 [0,1,0,1,0,0|1,1,0]=4 17890 B14R2.356 CC1CC1COCCc2c[nH]cn2 7a_100000744939_100020628418 [0,1,0,1,0,0|2,0,0]=4 17891 B14R2.356 CC1CC1COCCc2cccs2 34a_100000744939_100000748579 [0,1,0,1,0,0|0,1,0]=3 17892 B14R2.356 CC1CC1COCCc2cccs2 7a_100000744939_100000748579 [0,1,0,1,0,0|0,1,0]=3 17893 B14R2.356 CC1CC1COCCn2cccc2 7a_100000744939_200000035178 [0,1,0,1,0,0|2,0,0]=4 17894 B14R2.356 CC1CC1COCCn2cccn2 34a_100000744939_100015204718 [0,1,0,1,0,0|2,0,0]=4 17895 B14R2.356 CC1CC1COCCn2cccn2 7a_100000744939_100000685285 [0,1,0,1,0,0|2,0,0]=4 17896 B14R2.356 F[C@@H]1C[C@H]1NCCCc2cccs2 2230a_100025746932_100010992444 [0,1,0,1,0,0|1,1,0]=4 17897 B14R2.356 F[C@@H]1C[C@H]1NCCCc2cccs2 34a_100025746932_100010992444 [0,1,0,1,0,0|1,1,0]=4 17898 B14R2.356 F[C@H]1C[C@H]1NCCCc2cccs2 2230a_100015190264_100010992444 [0,1,0,1,0,0|1,1,0]=4 17899 B14R2.384 Brc1ccoc1CNC2CCCC2 270004a_100000211070_100000756499 [0,1,0,1,0,0|1,0,0]=3 17900 B14R2.384 Brc1ccoc1CN[C@@H]2CCOC2 270004a_200015188469_100000756499 [0,1,0,1,0,0|2,0,0]=4 17901 B14R2.384 Brc1ccoc1CN[C@H]2CCOC2 270004a_100015188467_100000756499 [0,1,0,1,0,0|2,0,0]=4 17902 B14R2.384 Brc1ccsc1CNC2CCCC2 207a_100000211070_100000766043 [0,1,0,1,0,0|1,1,0]=4 17903 B14R2.384 Brc1ccsc1CNC2CCCC2 270004a_100000211070_100000766043 [0,1,0,1,0,0|1,1,0]=4 17904 B14R2.384 Brc1ccsc1COC2CCCC2 34a_100000702026_100000179811 [0,1,0,1,0,0|1,1,0]=4 17905 B14R2.384 Brc1ccsc1SCC2CCCC2 62a_100000740388_100012361411 [0,1,0,1,0,0|1,1,0]=4 17906 B14R2.384 Brc1ccsc1SCC2CCCC2 62a_100012361411_100000740388 [0,1,0,1,0,0|1,1,0]=4 17907 B14R2.384 CC1CCCC1NCc2cc[nH]n2 269862a_100000739516_100000752053 [0,1,0,1,0,0|2,0,0]=4 17908 B14R2.384 CC1CCCC1NCc2cccs2 269862a_100000211653_100000752053 [0,1,0,1,0,0|0,1,0]=3 17909 B14R2.384 CC1CCCC1NCc2ccoc2 269862a_100015206860_100000752053 [0,1,0,1,0,0|2,0,0]=4 17910 B14R2.384 CC1CCCC1NCc2ccon2 269862a_100000688301_100000752053 [0,1,0,1,0,0|2,0,0]=4 17911 B14R2.384 CC1CCCC1NCc2ccsc2 269862a_100000186416_100000752053 [0,1,0,1,0,0|2,0,0]=4 17912 B14R2.384 CC1CCCC1NCc2cnco2 269862a_100020634212_100000752053 [0,1,0,1,0,0|1,0,0]=3 17913 B14R2.384 CC1CCCC1NCc2cncs2 269862a_100016987365_100000752053 [0,1,0,1,0,0|1,1,0]=4 17914 B14R2.384 CC1CCCC1NCc2cocn2 269862a_100015188801_100000752053 [0,1,0,1,0,0|2,0,0]=4 17915 B14R2.384 CC1CCCC1NCc2cscn2 269862a_100015185402_100000752053 [0,1,0,1,0,0|2,0,0]=4 17916 B14R2.384 CC1CCCC1NCc2nccs2 269862a_100000740555_100000752053 [0,1,0,1,0,0|1,1,0]=4 17917 B14R2.384 CC1CCCC1OCc2c[nH]cn2 34a_100011216460_100000707719 [0,1,0,1,0,0|2,0,0]=4 17918 B14R2.384 CC1CCCC1OCc2ccn[nH]2 34a_100011216460_100000728653 [0,1,0,1,0,0|2,0,0]=4 17919 B14R2.384 CC1CCCC1OCc2ccn[nH]2 7a_100011216460_100000728653 [0,1,0,1,0,0|2,0,0]=4 17920 B14R2.384 CC1CCCC1OCc2ccon2 34a_100011216460_100000234950 [0,1,0,1,0,0|2,0,0]=4 17921 B14R2.384 CC1CCCC1OCc2ccon2 7a_100011216460_100000234950 [0,1,0,1,0,0|2,0,0]=4 17922 B14R2.384 CC1CCCC1OCc2ccsc2 34a_100011216460_100011261437 [0,1,0,1,0,0|2,0,0]=4 17923 B14R2.384 CC1CCCC1OCc2ccsc2 7a_100011216460_100011261437 [0,1,0,1,0,0|2,0,0]=4 17924 B14R2.384 CC1CCCC1OCc2cncs2 34a_100011216460_100015185245 [0,1,0,1,0,0|1,1,0]=4 17925 B14R2.384 CC1CCCC1OCc2cncs2 7a_100011216460_100015185245 [0,1,0,1,0,0|1,1,0]=4 17926 B14R2.384 CC1CCCC1OCc2cscn2 34a_100011216460_100000205941 [0,1,0,1,0,0|2,0,0]=4 17927 B14R2.384 CC1CCCC1OCc2cscn2 7a_100011216460_100000205941 [0,1,0,1,0,0|2,0,0]=4 17928 B14R2.384 CC1CCCC1OCc2ncc[nH]2 34a_100011216460_100016991755 [0,1,0,1,0,0|2,0,0]=4 17929 B14R2.384 CC1CCCC1OCc2ncc[nH]2 7a_100011216460_100000753453 [0,1,0,1,0,0|2,0,0]=4 17930 B14R2.384 CC1CCCC1OCc2ncco2 34a_100011216460_103436540062 [0,1,0,1,0,0|1,0,0]=3 17931 B14R2.384 CC1CCCC1OCc2ncco2 7a_100011216460_103436540062 [0,1,0,1,0,0|1,0,0]=3 17932 B14R2.384 CC1CCCC1OCc2nccs2 34a_100011216460_100015184050 [0,1,0,1,0,0|1,1,0]=4 17933 B14R2.384 CC1CCCC1OCc2nccs2 7a_100011216460_100015184050 [0,1,0,1,0,0|1,1,0]=4 17934 B14R2.384 CC1OCCC1NCc2ccco2 270004a_100000185738_100000691750 [0,1,0,1,0,0|1,0,0]=3 17935 B14R2.384 CC1OCCC1NCc2cccs2 270004a_100000211653_100000691750 [0,1,0,1,0,0|1,1,0]=4 17936 B14R2.384 CC1OCCC1NCc2cnco2 270004a_100020634212_100000691750 [0,1,0,1,0,0|2,0,0]=4 17937 B14R2.384 CC1SCCN1CCc2cccs2 2230a_200011216479_100000748579 [0,1,0,1,0,0|1,1,0]=4 17938 B14R2.384 CC1SCCN1CCc2cccs2 269982a_200011216479_100000748579 [0,1,0,1,0,0|1,1,0]=4 17939 B14R2.384 CC1SCCN1CCc2cccs2 34a_200011216479_100000748579 [0,1,0,1,0,0|1,1,0]=4 17940 B14R2.384 C[C@@H]1CCCN1CCc2c[nH]cn2 2230a_100015189458_100020628418 [0,1,0,1,0,0|2,0,0]=4 17941 B14R2.384 C[C@@H]1CCCN1CCc2c[nH]cn2 269982a_100015189458_100020628418 [0,1,0,1,0,0|2,0,0]=4 17942 B14R2.384 C[C@@H]1CCCN1CCc2cccs2 2230a_100015189458_100000748579 [0,1,0,1,0,0|0,1,0]=3 17943 B14R2.384 C[C@@H]1CCCN1CCc2cccs2 269982a_100015189458_100000748579 [0,1,0,1,0,0|0,1,0]=3 17944 B14R2.384 C[C@@H]1CCCN1CCc2cccs2 34a_100015189458_100000748579 [0,1,0,1,0,0|0,1,0]=3 17945 B14R2.384 C[C@@H]1CCCN1CCn2cccc2 2230a_100015189458_200009811947 [0,1,0,1,0,0|2,0,0]=4 17946 B14R2.384 C[C@@H]1CCCN1CCn2cccc2 269982a_100015189458_200000035178 [0,1,0,1,0,0|2,0,0]=4 17947 B14R2.384 C[C@@H]1CCCN1CCn2cccn2 2230a_100015189458_100000685285 [0,1,0,1,0,0|2,0,0]=4 17948 B14R2.384 C[C@@H]1CCCN1CCn2cccn2 269982a_100015189458_100000685285 [0,1,0,1,0,0|2,0,0]=4 17949 B14R2.384 C[C@@H]1CCCN1CCn2cccn2 34a_100015189458_100015204718 [0,1,0,1,0,0|2,0,0]=4 17950 B14R2.384 C[C@@H]1CNC[C@@H]1OCc2ncco2 34a_200015306588_103436540062 [0,1,0,1,0,0|2,0,0]=4 17951 B14R2.384 C[C@H]1CCCN1CCc2c[nH]cn2 2230a_100020605311_100020628418 [0,1,0,1,0,0|2,0,0]=4 17952 B14R2.384 C[C@H]1CCCN1CCc2c[nH]cn2 269982a_100020605311_100020628418 [0,1,0,1,0,0|2,0,0]=4 17953 B14R2.384 C[C@H]1CCCN1CCc2cccs2 2230a_100020605311_100000748579 [0,1,0,1,0,0|0,1,0]=3 17954 B14R2.384 C[C@H]1CCCN1CCc2cccs2 269982a_100020605311_100000748579 [0,1,0,1,0,0|0,1,0]=3 17955 B14R2.384 C[C@H]1CCCN1CCn2cccc2 2230a_100020605311_200009811947 [0,1,0,1,0,0|2,0,0]=4 17956 B14R2.384 C[C@H]1CCCN1CCn2cccc2 269982a_100020605311_200000035178 [0,1,0,1,0,0|2,0,0]=4 17957 B14R2.384 C[C@H]1CCCN1CCn2cccn2 2230a_100020605311_100000685285 [0,1,0,1,0,0|2,0,0]=4 17958 B14R2.384 C[C@H]1CCCN1CCn2cccn2 269982a_100020605311_100000685285 [0,1,0,1,0,0|2,0,0]=4 17959 B14R2.384 Cc1ccoc1CNC2CCCC2 207a_100000211070_100000763527 [0,1,0,1,0,0|1,0,0]=3 17960 B14R2.384 Cc1ccoc1CNC2CCCC2 270004a_100000211070_100000763527 [0,1,0,1,0,0|1,0,0]=3 17961 B14R2.384 Cc1ccoc1CN[C@@H]2CCOC2 207a_200015188469_100000763527 [0,1,0,1,0,0|2,0,0]=4 17962 B14R2.384 Cc1ccoc1CN[C@@H]2CCOC2 270004a_200015188469_100000763527 [0,1,0,1,0,0|2,0,0]=4 17963 B14R2.384 Cc1ccoc1CN[C@H]2CCOC2 207a_100015188467_100000763527 [0,1,0,1,0,0|2,0,0]=4 17964 B14R2.384 Cc1ccoc1CN[C@H]2CCOC2 270004a_100015188467_100000763527 [0,1,0,1,0,0|2,0,0]=4 17965 B14R2.384 Cc1ccoc1COC2CCCC2 34a_100011273948_100000179811 [0,1,0,1,0,0|1,0,0]=3 17966 B14R2.384 Cc1ccoc1COC2CCCC2 7a_100011273948_100000179811 [0,1,0,1,0,0|1,0,0]=3 17967 B14R2.384 Cc1ccoc1COC2CCOC2 34a_100011273948_100000690089 [0,1,0,1,0,0|2,0,0]=4 17968 B14R2.384 Cc1ccoc1COC2CCOC2 7a_100011273948_100000731011 [0,1,0,1,0,0|2,0,0]=4 17969 B14R2.384 Cc1ccsc1CNC2CCCC2 207a_100000211070_100000210881 [0,1,0,1,0,0|1,1,0]=4 17970 B14R2.384 Cc1ccsc1CNC2CCCC2 2230a_100000238519_100000179811 [0,1,0,1,0,0|1,1,0]=4 17971 B14R2.384 Cc1ccsc1CNC2CCCC2 270004a_100000211070_100000210881 [0,1,0,1,0,0|1,1,0]=4 17972 B14R2.384 Cc1ccsc1CNC2CCCC2 270004a_100000238519_100000210133 [0,1,0,1,0,0|1,1,0]=4 17973 B14R2.384 Cc1ccsc1CNC2CCCC2 34a_100000238519_100000179811 [0,1,0,1,0,0|1,1,0]=4 17974 B14R2.384 Cc1ccsc1COC2CCCC2 34a_100000238368_100000179811 [0,1,0,1,0,0|1,1,0]=4 17975 B14R2.384 Cc1ccsc1COC2CCCC2 7a_100000238368_100000179811 [0,1,0,1,0,0|1,1,0]=4 17976 B14R2.384 Cc1ccsc1SCC2CCCC2 62a_100000740388_100010247149 [0,1,0,1,0,0|1,1,0]=4 17977 B14R2.384 Cc1ccsc1SCC2CCCC2 62a_100010247149_100000740388 [0,1,0,1,0,0|1,1,0]=4 17978 B14R2.384 Cc1cnoc1COC2CCCC2 34a_200011065769_100000179811 [0,1,0,1,0,0|2,0,0]=4 17979 B14R2.384 Cc1ncoc1COC2CCCC2 34a_100000717716_100000179811 [0,1,0,1,0,0|2,0,0]=4 17980 B14R2.384 Cc1ncoc1COC2CCCC2 7a_100000717716_100000179811 [0,1,0,1,0,0|2,0,0]=4 17981 B14R2.384 Cl[C@@H]1CCC[C@H]1OCc2ncco2 34a_200016002552_103436540062 [0,1,0,1,0,0|2,0,0]=4 17982 B14R2.384 Clc1ccsc1CNC2CCCC2 207a_100000211070_100000722334 [0,1,0,1,0,0|1,1,0]=4 17983 B14R2.384 Clc1ccsc1CNC2CCCC2 2230a_100011934584_100000179811 [0,1,0,1,0,0|1,1,0]=4 17984 B14R2.384 Clc1ccsc1CNC2CCCC2 270004a_100000211070_100000722334 [0,1,0,1,0,0|1,1,0]=4 17985 B14R2.384 Clc1ccsc1CNC2CCCC2 270004a_100011934584_100000210133 [0,1,0,1,0,0|1,1,0]=4 17986 B14R2.384 Clc1ccsc1CNC2CCCC2 34a_100011934584_100000179811 [0,1,0,1,0,0|1,1,0]=4 17987 B14R2.384 Clc1ccsc1COC2CCCC2 34a_100000722387_100000179811 [0,1,0,1,0,0|1,1,0]=4 17988 B14R2.384 Clc1ccsc1COC2CCCC2 7a_100000722387_100000179811 [0,1,0,1,0,0|1,1,0]=4 17989 B14R2.384 Cn1cccc1CNC2CCCC2 270004a_100000211070_100000211633 [0,1,0,1,0,0|2,0,0]=4 17990 B14R2.384 Cn1cccc1CNC2CCCC2 34a_100011219357_100000179811 [0,1,0,1,0,0|2,0,0]=4 17991 B14R2.384 N[C@H]1CCC[C@@H]1OCc2ncco2 34a_100000748460_103436540062 [0,1,0,1,0,0|2,0,0]=4 17992 B14R2.384 O=C1CCCC1NCc2ccco2 2230a_100000185738_100000211823 [0,1,0,1,0,0|1,0,1]=4 17993 B14R2.384 O=C1CCCC1NCc2ccco2 34a_100000185738_100000709159 [0,1,0,1,0,0|1,0,1]=4 17994 B14R2.384 O=C1CCCC1OCc2ccco2 34a_100000210059_100000709159 [0,1,0,1,0,0|1,0,1]=4 17995 B14R2.384 OC1COCC1NCc2ccco2 34a_100000185738_200000725654 [0,1,0,1,0,0|2,0,0]=4 17996 B14R2.384 OC1COCC1OCc2ccco2 34a_100000210059_200000725654 [0,1,0,1,0,0|2,0,0]=4 17997 B14R2.384 O[C@@H]1CCC[C@H]1SCc2ncco2 62a_103436540062_200016002552 [0,1,0,1,0,0|2,0,0]=4 17998 B14R2.384 O[C@@H]1CCC[C@H]1SCc2ncco2 62a_200016002552_103436540062 [0,1,0,1,0,0|2,0,0]=4 17999 B14R2.384 O[C@H]1CCC[C@@H]1NCc2ccco2 207a_100000748460_100000186105 [0,1,0,1,0,0|1,0,0]=3 18000 B14R2.384 O[C@H]1CCC[C@@H]1NCc2ccco2 270004a_100000748460_100000186105 [0,1,0,1,0,0|1,0,0]=3 18001 B14R2.384 O[C@H]1CCC[C@@H]1NCc2cccs2 207a_100000748460_100000209959 [0,1,0,1,0,0|1,1,0]=4 18002 B14R2.384 O[C@H]1CCC[C@@H]1NCc2cccs2 270004a_100000748460_100000209959 [0,1,0,1,0,0|1,1,0]=4 18003 B14R2.384 O[C@H]1CCC[C@@H]1NCc2cnco2 270004a_100000748460_100000064291 [0,1,0,1,0,0|2,0,0]=4 18004 B14R2.384 O[C@H]1CCC[C@@H]1NCc2ncco2 270004a_100000748460_100000064290 [0,1,0,1,0,0|2,0,0]=4 18005 B14R2.384 O[C@H]1COC[C@@H]1NCc2ccco2 207a_100015191717_100000186105 [0,1,0,1,0,0|2,0,0]=4 18006 B14R2.384 O[C@H]1COC[C@@H]1NCc2ccco2 270004a_100015191717_100000186105 [0,1,0,1,0,0|2,0,0]=4 18007 B14R2.726 CC1CCN1CCCc2cccs2 269982a_100000755817_100010992444 [0,1,0,1,0,0|0,1,0]=3 18008 B14R2.726 CC1CCN1CCCc2cccs2 34a_100000755817_100010992444 [0,1,0,1,0,0|0,1,0]=3 18009 B14R2.726 CC1CCN1CCCn2cccc2 269982a_100000755817_200009814367 [0,1,0,1,0,0|2,0,0]=4 18010 B14R2.726 CC1CCN1CCCn2cccc2 34a_100000755817_200009814367 [0,1,0,1,0,0|2,0,0]=4 18011 B14R2.726 CC1CCN1CCCn2cccn2 269982a_100000755817_100000739983 [0,1,0,1,0,0|2,0,0]=4 18012 B14R2.726 O=C1CCC1CCSc2ccco2 62a_100009814098_200016118888 [0,1,0,1,0,0|1,0,1]=4 18013 B14R2.726 O=C1CCC1CCSc2ccco2 62a_200016118888_100009814098 [0,1,0,1,0,0|1,0,1]=4 18014 B14R2.726 O=C1CCC1NCCc2ccco2 34a_100000694680_100009892977 [0,1,0,1,0,0|1,0,1]=4 18015 B14R2.892 CCCNC1CCCc2c1cco2 269862a_100020643023_100000744050 [0,1,0,1,0,0|0,0,0]=2 18016 B14R2.892 CCCNC1CCCc2c1ccs2 269862a_100020643023_100000024123 [0,1,0,1,0,0|0,1,0]=3 18017 B14R2.892 CCCNC1CCCc2c1occ2 269862a_100020643023_100009877200 [0,1,0,1,0,0|2,0,0]=4 18018 B14R2.892 CCCNC1CCCn2c1ccn2 269862a_100020643023_100009866777 [0,1,0,1,0,0|2,0,0]=4 18019 B14R2.892 CCNCC1OCCc2c1ccs2 2230a_100025773454_100000210202 [0,1,0,1,0,0|1,1,0]=4 18020 B14R2.892 CCNCC1OCCc2c1ccs2 34a_100025773454_100000210202 [0,1,0,1,0,0|1,1,0]=4 18021 B14R2.892 CCNN=C1CCCc2c1cco2 4a_100000756455_100000744050 [0,1,0,1,0,0|1,0,1]=4 18022 B14R2.892 FCCNC1CCCc2c1cco2 269862a_100000724931_100000744050 [0,1,0,1,0,0|1,0,0]=3 18023 B14R2.892 FCCNC1CCCc2c1ccs2 269862a_100000724931_100000024123 [0,1,0,1,0,0|1,1,0]=4 18024 B14R2.892 OCCNC1CCCc2c1cco2 269862a_100000210304_100000744050 [0,1,0,1,0,0|1,0,0]=3 18025 B14R2.892 OCCNC1CCCc2c1ccs2 269862a_100000210304_100000024123 [0,1,0,1,0,0|1,1,0]=4 18026 B14R2.2840 c1c[nH]c(n1)CN2CCCCCC2 2230a_100000185865_100016991755 [0,1,0,1,0,0|2,0,0]=4 18027 B14R2.2840 c1c[nH]c(n1)CN2CCCCCC2 269982a_100000185865_100016991755 [0,1,0,1,0,0|2,0,0]=4 18028 B14R2.2840 c1c[nH]c(n1)CN2CCCCCC2 34a_100000185865_100016991755 [0,1,0,1,0,0|2,0,0]=4 18029 B14R2.2840 c1c[nH]c(n1)SC2CCCCCC2 62a_100011217769_100025796157 [0,1,0,1,0,0|2,0,0]=4 18030 B14R2.2840 c1c[nH]c(n1)SC2CCCCCC2 62a_100025796157_100011217769 [0,1,0,1,0,0|2,0,0]=4 18031 B14R2.2840 c1cc([nH]n1)CN2CCCCCC2 2230a_100000185865_100000728653 [0,1,0,1,0,0|2,0,0]=4 18032 B14R2.2840 c1cc([nH]n1)CN2CCCCCC2 269982a_100000185865_100000728653 [0,1,0,1,0,0|2,0,0]=4 18033 B14R2.2840 c1cc([nH]n1)CN2CCCCCC2 34a_100000185865_100000728653 [0,1,0,1,0,0|2,0,0]=4 18034 B14R2.2840 c1cc(co1)CN2CCCCCC2 270004a_100000185865_100011215517 [0,1,0,1,0,0|2,0,0]=4 18035 B14R2.2840 c1cc(co1)SC2CCCCCC2 62a_100011215275_100011217769 [0,1,0,1,0,0|2,0,0]=4 18036 B14R2.2840 c1cc(co1)SC2CCCCCC2 62a_100011217769_100011215275 [0,1,0,1,0,0|2,0,0]=4 18037 B14R2.2840 c1cc(cs1)CN2CCCCCC2 2230a_100000185865_100011261437 [0,1,0,1,0,0|2,0,0]=4 18038 B14R2.2840 c1cc(cs1)CN2CCCCCC2 269982a_100000185865_100011233845 [0,1,0,1,0,0|2,0,0]=4 18039 B14R2.2840 c1cc(cs1)CN2CCCCCC2 270004a_100000185865_100000188534 [0,1,0,1,0,0|2,0,0]=4 18040 B14R2.2840 c1cc(cs1)CN2CCCCCC2 34a_100000185865_100011261437 [0,1,0,1,0,0|2,0,0]=4 18041 B14R2.2840 c1cc(cs1)OC2CCCCCC2 34a_100000106738_100011217769 [0,1,0,1,0,0|2,0,0]=4 18042 B14R2.2840 c1cc(cs1)SC2CCCCCC2 62a_100000738268_100011217769 [0,1,0,1,0,0|2,0,0]=4 18043 B14R2.2840 c1cc(cs1)SC2CCCCCC2 62a_100011217769_100000738268 [0,1,0,1,0,0|2,0,0]=4 18044 B14R2.2840 c1cc(n[nH]1)CN2CCCCCC2 270004a_100000185865_100000738523 [0,1,0,1,0,0|2,0,0]=4 18045 B14R2.2840 c1cc(n[nH]1)SC2CCCCCC2 62a_100000062575_100011217769 [0,1,0,1,0,0|2,0,0]=4 18046 B14R2.2840 c1cc(n[nH]1)SC2CCCCCC2 62a_100011217769_100000062575 [0,1,0,1,0,0|2,0,0]=4 18047 B14R2.2840 c1cc(no1)CN2CCCCCC2 2230a_100000185865_100000234950 [0,1,0,1,0,0|2,0,0]=4 18048 B14R2.2840 c1cc(no1)CN2CCCCCC2 269982a_100000185865_100000234950 [0,1,0,1,0,0|2,0,0]=4 18049 B14R2.2840 c1cc(no1)CN2CCCCCC2 34a_100000185865_100000234950 [0,1,0,1,0,0|2,0,0]=4 18050 B14R2.2840 c1cc(no1)SC2CCCCCC2 62a_100009818083_100011217769 [0,1,0,1,0,0|2,0,0]=4 18051 B14R2.2840 c1cc(no1)SC2CCCCCC2 62a_100011217769_100009818083 [0,1,0,1,0,0|2,0,0]=4 18052 B14R2.2840 c1cc(ns1)SC2CCCCCC2 62a_100009818082_100011217769 [0,1,0,1,0,0|2,0,0]=4 18053 B14R2.2840 c1cc(ns1)SC2CCCCCC2 62a_100011217769_100009818082 [0,1,0,1,0,0|2,0,0]=4 18054 B14R2.2840 c1coc(c1)CN2CCCCCC2 270004a_100000185865_100000186105 [0,1,0,1,0,0|0,0,0]=2 18055 B14R2.2840 c1coc(c1)CN2CCCOCC2 270004a_100000685342_100000186105 [0,1,0,1,0,0|1,0,0]=3 18056 B14R2.2840 c1coc(c1)SC2CCCCCC2 62a_100009814098_100011217769 [0,1,0,1,0,0|0,0,0]=2 18057 B14R2.2840 c1coc(c1)SC2CCCCCC2 62a_100011217769_100009814098 [0,1,0,1,0,0|0,0,0]=2 18058 B14R2.2840 c1coc(n1)CN2CCCCCC2 2230a_100000185865_103436540062 [0,1,0,1,0,0|1,0,0]=3 18059 B14R2.2840 c1coc(n1)CN2CCCCCC2 269982a_100000185865_103436540062 [0,1,0,1,0,0|1,0,0]=3 18060 B14R2.2840 c1coc(n1)CN2CCCCCC2 270004a_100000185865_100000064290 [0,1,0,1,0,0|1,0,0]=3 18061 B14R2.2840 c1coc(n1)CN2CCCCCC2 34a_100000185865_103436540062 [0,1,0,1,0,0|1,0,0]=3 18062 B14R2.2840 c1coc(n1)CN2CCCOCC2 2230a_100000685342_103436540062 [0,1,0,1,0,0|2,0,0]=4 18063 B14R2.2840 c1coc(n1)CN2CCCOCC2 269982a_100000685342_103436540062 [0,1,0,1,0,0|2,0,0]=4 18064 B14R2.2840 c1coc(n1)CN2CCCOCC2 270004a_100000685342_100000064290 [0,1,0,1,0,0|2,0,0]=4 18065 B14R2.2840 c1coc(n1)CN2CCCOCC2 34a_100000685342_103436540062 [0,1,0,1,0,0|2,0,0]=4 18066 B14R2.2840 c1coc(n1)SC2CCCCCC2 62a_100011217769_100011787736 [0,1,0,1,0,0|1,0,0]=3 18067 B14R2.2840 c1coc(n1)SC2CCCCCC2 62a_100011787736_100011217769 [0,1,0,1,0,0|1,0,0]=3 18068 B14R2.2840 c1csc(c1)CN2CCCCCC2 270004a_100000185865_100000209959 [0,1,0,1,0,0|0,1,0]=3 18069 B14R2.2840 c1csc(c1)CN2CCCOCC2 270004a_100000685342_100000209959 [0,1,0,1,0,0|1,1,0]=4 18070 B14R2.2840 c1csc(c1)SC2CCCCCC2 62a_100011215356_100011217769 [0,1,0,1,0,0|0,1,0]=3 18071 B14R2.2840 c1csc(c1)SC2CCCCCC2 62a_100011217769_100011215356 [0,1,0,1,0,0|0,1,0]=3 18072 B14R2.2840 c1csc(n1)CN2CCCCCC2 2230a_100000185865_100015184050 [0,1,0,1,0,0|1,1,0]=4 18073 B14R2.2840 c1csc(n1)CN2CCCCCC2 269982a_100000185865_100015184050 [0,1,0,1,0,0|1,1,0]=4 18074 B14R2.2840 c1csc(n1)CN2CCCCCC2 270004a_100000185865_100000750902 [0,1,0,1,0,0|1,1,0]=4 18075 B14R2.2840 c1csc(n1)CN2CCCCCC2 34a_100000185865_100015184050 [0,1,0,1,0,0|1,1,0]=4 18076 B14R2.2840 c1csc(n1)SC2CCCCCC2 62a_100000211983_100011217769 [0,1,0,1,0,0|1,1,0]=4 18077 B14R2.2840 c1csc(n1)SC2CCCCCC2 62a_100011217769_100000211983 [0,1,0,1,0,0|1,1,0]=4 18078 B14R2.2840 c1nc(c[nH]1)CN2CCCCCC2 2230a_100000185865_100000707719 [0,1,0,1,0,0|2,0,0]=4 18079 B14R2.2840 c1nc(c[nH]1)CN2CCCCCC2 269982a_100000185865_100000707719 [0,1,0,1,0,0|2,0,0]=4 18080 B14R2.2840 c1nc(c[nH]1)CN2CCCCCC2 34a_100000185865_100000707719 [0,1,0,1,0,0|2,0,0]=4 18081 B14R2.2840 c1nc(c[nH]1)SC2CCCCCC2 62a_100000756875_100011217769 [0,1,0,1,0,0|2,0,0]=4 18082 B14R2.2840 c1nc(c[nH]1)SC2CCCCCC2 62a_100011217769_100000756875 [0,1,0,1,0,0|2,0,0]=4 18083 B14R2.2840 c1nc(co1)CN2CCCCCC2 270004a_100000185865_100000050382 [0,1,0,1,0,0|2,0,0]=4 18084 B14R2.2840 c1nc(cs1)CN2CCCCCC2 2230a_100000185865_100000205941 [0,1,0,1,0,0|2,0,0]=4 18085 B14R2.2840 c1nc(cs1)CN2CCCCCC2 269982a_100000185865_100000205941 [0,1,0,1,0,0|2,0,0]=4 18086 B14R2.2840 c1nc(cs1)CN2CCCCCC2 270004a_100000185865_100000743575 [0,1,0,1,0,0|2,0,0]=4 18087 B14R2.2840 c1nc(cs1)CN2CCCCCC2 34a_100000185865_100000205941 [0,1,0,1,0,0|2,0,0]=4 18088 B14R2.2840 c1nc(cs1)SC2CCCCCC2 62a_100000751502_100011217769 [0,1,0,1,0,0|2,0,0]=4 18089 B14R2.2840 c1nc(cs1)SC2CCCCCC2 62a_100011217769_100000751502 [0,1,0,1,0,0|2,0,0]=4 18090 B14R2.2840 c1ncc(o1)CN2CCCCCC2 270004a_100000185865_100000064291 [0,1,0,1,0,0|1,0,0]=3 18091 B14R2.2840 c1ncc(o1)CN2CCCOCC2 270004a_100000685342_100000064291 [0,1,0,1,0,0|2,0,0]=4 18092 B14R2.2840 c1ncc(o1)SC2CCCCCC2 62a_100011217769_100020591547 [0,1,0,1,0,0|1,0,0]=3 18093 B14R2.2840 c1ncc(o1)SC2CCCCCC2 62a_100020591547_100011217769 [0,1,0,1,0,0|1,0,0]=3 18094 B14R2.2840 c1ncc(s1)CN2CCCCCC2 2230a_100000185865_100015185245 [0,1,0,1,0,0|1,1,0]=4 18095 B14R2.2840 c1ncc(s1)CN2CCCCCC2 269982a_100000185865_100015185245 [0,1,0,1,0,0|1,1,0]=4 18096 B14R2.2840 c1ncc(s1)CN2CCCCCC2 270004a_100000185865_100000749870 [0,1,0,1,0,0|1,1,0]=4 18097 B14R2.2840 c1ncc(s1)CN2CCCCCC2 34a_100000185865_100015185245 [0,1,0,1,0,0|1,1,0]=4 18098 B14R2.2840 c1ncc(s1)SC2CCCCCC2 62a_100011217769_100011934649 [0,1,0,1,0,0|1,1,0]=4 18099 B14R2.2840 c1ncc(s1)SC2CCCCCC2 62a_100011934649_100011217769 [0,1,0,1,0,0|1,1,0]=4 18100 B14R2.3017 C(#CC1CC1)CNCc2ccco2 2230a_100000185738_100009895102 [0,1,0,1,0,0|0,0,2]=4 18101 B14R2.3017 C(#CC1CC1)CNCc2ccco2 34a_100000185738_100009895102 [0,1,0,1,0,0|0,0,2]=4 18102 B14R2.3017 C(#CC1CC1)COCc2ccco2 34a_100000210059_100009895102 [0,1,0,1,0,0|0,0,2]=4 18103 B14R2.3017 C(=Cc1ccco1)CNCC2CC2 270004a_100000735609_100000185671 [0,1,0,1,0,0|0,0,2]=4 18104 B14R2.3017 c1c[nH]c(n1)CCOCCC2CC2 34a_103549771195_100000694398 [0,1,0,1,0,0|2,0,0]=4 18105 B14R2.3017 c1cc(cs1)CCCOCC2CC2 34a_200000699776_100000742324 [0,1,0,1,0,0|2,0,0]=4 18106 B14R2.3017 c1cc(cs1)CCCOCC2CC2 7a_200000699776_100000742324 [0,1,0,1,0,0|2,0,0]=4 18107 B14R2.3017 c1cc(cs1)CCNCCC2CC2 2230a_100000692642_100000694398 [0,1,0,1,0,0|2,0,0]=4 18108 B14R2.3017 c1cc(cs1)CCNCCC2CC2 34a_100000692642_100000694398 [0,1,0,1,0,0|2,0,0]=4 18109 B14R2.3017 c1cc(cs1)CCOCCC2CC2 34a_100000748821_100000694398 [0,1,0,1,0,0|2,0,0]=4 18110 B14R2.3017 c1cc(on1)COCCCC2CO2 34a_100000740478_100000733510 [0,1,0,1,0,0|2,0,0]=4 18111 B14R2.3017 c1ccn(c1)CCCNCC2CC2 2230a_100000735609_200009814367 [0,1,0,1,0,0|2,0,0]=4 18112 B14R2.3017 c1ccn(c1)CCCNCC2CC2 34a_100000735609_200009814367 [0,1,0,1,0,0|2,0,0]=4 18113 B14R2.3017 c1ccn(c1)CCCOCC2CC2 34a_100000179399_100000742324 [0,1,0,1,0,0|2,0,0]=4 18114 B14R2.3017 c1ccn(c1)CCCOCC2CC2 34a_100000211283_200009814367 [0,1,0,1,0,0|2,0,0]=4 18115 B14R2.3017 c1ccn(c1)CCCOCC2CC2 7a_100000179399_100000742324 [0,1,0,1,0,0|2,0,0]=4 18116 B14R2.3017 c1ccn(c1)CCCSCC2CC2 62a_100000756562_200009814367 [0,1,0,1,0,0|2,0,0]=4 18117 B14R2.3017 c1ccn(c1)CCCSCC2CC2 62a_200009814367_100000742324 [0,1,0,1,0,0|2,0,0]=4 18118 B14R2.3017 c1ccn(c1)CCNCCC2CC2 34a_100011368172_100000694398 [0,1,0,1,0,0|2,0,0]=4 18119 B14R2.3017 c1ccn(c1)CCOCCC2CC2 34a_100000179382_100000694398 [0,1,0,1,0,0|2,0,0]=4 18120 B14R2.3017 c1ccn(c1)CCOCCC2CC2 7a_100000754188_200000035178 [0,1,0,1,0,0|2,0,0]=4 18121 B14R2.3017 c1ccn(c1)CCSCCC2CC2 62a_100000764125_200000035178 [0,1,0,1,0,0|2,0,0]=4 18122 B14R2.3017 c1ccn(c1)CCSCCC2CC2 62a_200009811947_100000764125 [0,1,0,1,0,0|2,0,0]=4 18123 B14R2.3017 c1cnn(c1)CCCNCC2CC2 2230a_100000735609_100000739983 [0,1,0,1,0,0|2,0,0]=4 18124 B14R2.3017 c1cnn(c1)CCCNCC2CC2 269862a_100000737576_100000741477 [0,1,0,1,0,0|2,0,0]=4 18125 B14R2.3017 c1cnn(c1)CCCOCC2CC2 34a_100000753614_100000742324 [0,1,0,1,0,0|2,0,0]=4 18126 B14R2.3017 c1cnn(c1)CCCSCC2CC2 62a_100000739983_100000742324 [0,1,0,1,0,0|2,0,0]=4 18127 B14R2.3017 c1cnn(c1)CCCSCC2CC2 62a_100000756562_100000739983 [0,1,0,1,0,0|2,0,0]=4 18128 B14R2.3017 c1cnn(c1)CCNCCC2CC2 2230a_100011200920_100000694398 [0,1,0,1,0,0|2,0,0]=4 18129 B14R2.3017 c1cnn(c1)CCNCCC2CC2 34a_100000764129_100015204718 [0,1,0,1,0,0|2,0,0]=4 18130 B14R2.3017 c1cnn(c1)CCOCCC2CC2 34a_100000743371_100000694398 [0,1,0,1,0,0|2,0,0]=4 18131 B14R2.3017 c1cnn(c1)CCOCCC2CC2 34a_100000754188_100015204718 [0,1,0,1,0,0|2,0,0]=4 18132 B14R2.3017 c1cnn(c1)CCOCCC2CC2 7a_100000754188_100000685285 [0,1,0,1,0,0|2,0,0]=4 18133 B14R2.3017 c1cnn(c1)CCSCCC2CC2 62a_100000764125_100000685285 [0,1,0,1,0,0|2,0,0]=4 18134 B14R2.3017 c1cnn(c1)CCSCCC2CC2 62a_100015204718_100000764125 [0,1,0,1,0,0|2,0,0]=4 18135 B14R2.3017 c1coc(c1)CCNCCC2CC2 2230a_100000694680_100000694398 [0,1,0,1,0,0|0,0,0]=2 18136 B14R2.3017 c1coc(c1)CCNCCC2CC2 34a_100000694680_100000694398 [0,1,0,1,0,0|0,0,0]=2 18137 B14R2.3017 c1coc(c1)CCNCCC2CO2 2230a_100000694680_100000732470 [0,1,0,1,0,0|1,0,0]=3 18138 B14R2.3017 c1coc(c1)CCNCCC2CO2 34a_100000694680_100000732470 [0,1,0,1,0,0|1,0,0]=3 18139 B14R2.3017 c1coc(c1)CNCCCC2CO2 2230a_100000185738_100000733510 [0,1,0,1,0,0|1,0,0]=3 18140 B14R2.3017 c1coc(c1)CNCCCC2CO2 34a_100000185738_100000733510 [0,1,0,1,0,0|1,0,0]=3 18141 B14R2.3017 c1coc(c1)COCCCC2CO2 34a_100000210059_100000733510 [0,1,0,1,0,0|1,0,0]=3 18142 B14R2.3017 c1coc(n1)CNCCCC2CO2 2230a_100016994969_100000733510 [0,1,0,1,0,0|2,0,0]=4 18143 B14R2.3017 c1coc(n1)COCCCC2CO2 34a_100000062594_100000733510 [0,1,0,1,0,0|2,0,0]=4 18144 B14R2.3017 c1coc(n1)COCCNC2CC2 34a_100000738766_103436540062 [0,1,0,1,0,0|2,0,0]=4 18145 B14R2.3017 c1coc(n1)CSCCCC2CO2 62a_100000733510_103436540062 [0,1,0,1,0,0|2,0,0]=4 18146 B14R2.3017 c1coc(n1)CSCCCC2CO2 62a_103436540062_100000733510 [0,1,0,1,0,0|2,0,0]=4 18147 B14R2.3017 c1csc(c1)CCCNCC2CC2 2230a_100000735609_100010992444 [0,1,0,1,0,0|0,1,0]=3 18148 B14R2.3017 c1csc(c1)CCCNCC2CC2 34a_100000735609_100010992444 [0,1,0,1,0,0|0,1,0]=3 18149 B14R2.3017 c1csc(c1)CCCOCC2CC2 34a_100000211283_100010992444 [0,1,0,1,0,0|0,1,0]=3 18150 B14R2.3017 c1csc(c1)CCCOCC2CC2 34a_100011713143_100000742324 [0,1,0,1,0,0|0,1,0]=3 18151 B14R2.3017 c1csc(c1)CCCOCC2CC2 7a_100011713143_100000742324 [0,1,0,1,0,0|0,1,0]=3 18152 B14R2.3017 c1csc(c1)CCCOCC2CO2 34a_100011713143_102125554688 [0,1,0,1,0,0|1,1,0]=4 18153 B14R2.3017 c1csc(c1)CCCOCC2CO2 7a_100011713143_102125554688 [0,1,0,1,0,0|1,1,0]=4 18154 B14R2.3017 c1csc(c1)CCCOCC2CS2 7a_100011713143_100000031435 [0,1,0,1,0,0|1,1,0]=4 18155 B14R2.3017 c1csc(c1)CCCOC[C@@H]2CO2 34a_100000757423_100010992444 [0,1,0,1,0,0|1,1,0]=4 18156 B14R2.3017 c1csc(c1)CCCOC[C@@H]2CO2 7a_100011713143_100000745022 [0,1,0,1,0,0|1,1,0]=4 18157 B14R2.3017 c1csc(c1)CCCSCC2CC2 62a_100000756562_100010992444 [0,1,0,1,0,0|0,1,0]=3 18158 B14R2.3017 c1csc(c1)CCCSCC2CC2 62a_100010992444_100000742324 [0,1,0,1,0,0|0,1,0]=3 18159 B14R2.3017 c1csc(c1)CCCSCC2CO2 62a_100010992444_102125554688 [0,1,0,1,0,0|1,1,0]=4 18160 B14R2.3017 c1csc(c1)CCCSCC2CO2 62a_102125554688_100010992444 [0,1,0,1,0,0|1,1,0]=4 18161 B14R2.3017 c1csc(c1)CCCSCC2CS2 62a_100000031435_100010992444 [0,1,0,1,0,0|1,1,0]=4 18162 B14R2.3017 c1csc(c1)CCCSCC2CS2 62a_100010992444_100000031435 [0,1,0,1,0,0|1,1,0]=4 18163 B14R2.3017 c1csc(c1)CCCSC[C@@H]2CO2 62a_100000745022_100010992444 [0,1,0,1,0,0|1,1,0]=4 18164 B14R2.3017 c1csc(c1)CCCSC[C@@H]2CO2 62a_100010992444_100000745022 [0,1,0,1,0,0|1,1,0]=4 18165 B14R2.3017 c1csc(c1)CCNCCC2CC2 2230a_100000203755_100000694398 [0,1,0,1,0,0|0,1,0]=3 18166 B14R2.3017 c1csc(c1)CCNCCC2CC2 34a_100000203755_100000694398 [0,1,0,1,0,0|0,1,0]=3 18167 B14R2.3017 c1csc(c1)CCNCCC2CC2 34a_100000764129_100000748579 [0,1,0,1,0,0|0,1,0]=3 18168 B14R2.3017 c1csc(c1)CCNCCC2CO2 2230a_100000203755_100000732470 [0,1,0,1,0,0|1,1,0]=4 18169 B14R2.3017 c1csc(c1)CCNCCC2CO2 34a_100000203755_100000732470 [0,1,0,1,0,0|1,1,0]=4 18170 B14R2.3017 c1csc(c1)CCOCCC2CC2 34a_100000754188_100000748579 [0,1,0,1,0,0|0,1,0]=3 18171 B14R2.3017 c1csc(c1)CCOCCC2CC2 34a_100011216825_100000694398 [0,1,0,1,0,0|0,1,0]=3 18172 B14R2.3017 c1csc(c1)CCOCCC2CC2 7a_100000754188_100000748579 [0,1,0,1,0,0|0,1,0]=3 18173 B14R2.3017 c1csc(c1)CCOCCC2CC2 7a_100011216825_100000764125 [0,1,0,1,0,0|0,1,0]=3 18174 B14R2.3017 c1csc(c1)CCOCCC2CO2 34a_100011216825_100000732470 [0,1,0,1,0,0|1,1,0]=4 18175 B14R2.3017 c1csc(c1)CCOCCC2CO2 7a_100011216825_100000732470 [0,1,0,1,0,0|1,1,0]=4 18176 B14R2.3017 c1csc(c1)CCOCC[C@@H]2CO2 34a_100009820653_100000748579 [0,1,0,1,0,0|1,1,0]=4 18177 B14R2.3017 c1csc(c1)CCSCCC2CC2 62a_100000748579_100000764125 [0,1,0,1,0,0|0,1,0]=3 18178 B14R2.3017 c1csc(c1)CCSCCC2CC2 62a_100000764125_100000748579 [0,1,0,1,0,0|0,1,0]=3 18179 B14R2.3017 c1csc(c1)CCSCCC2CO2 62a_100000732470_100000748579 [0,1,0,1,0,0|1,1,0]=4 18180 B14R2.3017 c1csc(c1)CCSCCC2CO2 62a_100000748579_100000732470 [0,1,0,1,0,0|1,1,0]=4 18181 B14R2.3017 c1csc(c1)CNCCCC2CO2 2230a_100000211653_100000733510 [0,1,0,1,0,0|1,1,0]=4 18182 B14R2.3017 c1csc(c1)COCCCC2CO2 34a_100000211240_100000733510 [0,1,0,1,0,0|1,1,0]=4 18183 B14R2.3017 c1csc(n1)CCNCCC2CC2 2230a_100015186391_100000694398 [0,1,0,1,0,0|1,1,0]=4 18184 B14R2.3017 c1nc(c[nH]1)CCOCCC2CC2 7a_100000754188_100020628418 [0,1,0,1,0,0|2,0,0]=4 18185 B14R2.3017 c1nc(c[nH]1)CCSCCC2CC2 62a_100000764125_100020628418 [0,1,0,1,0,0|2,0,0]=4 18186 B14R2.3017 c1nc(c[nH]1)CCSCCC2CC2 62a_100020628418_100000764125 [0,1,0,1,0,0|2,0,0]=4 18187 B14R2.3017 c1ncc(s1)CCNCCC2CC2 2230a_100016991637_100000694398 [0,1,0,1,0,0|1,1,0]=4 18188 B14R2.9636 CCCCNC1CCc2c1ccs2 269862a_100000102301_100000011361 [0,1,0,1,0,0|0,1,0]=3 18189 B14R2.9636 CCCCNC1CCc2c1scc2 269862a_100000102301_100000080523 [0,1,0,1,0,0|2,0,0]=4 18190 B14R2.9636 COCCNC1CCc2c1ccs2 269862a_100000209980_100000011361 [0,1,0,1,0,0|1,1,0]=4 18191 B14R2.9636 CSCCNC1CCc2c1ccs2 269862a_100020590264_100000011361 [0,1,0,1,0,0|1,1,0]=4 18192 B14R2.9636 FCCCNC1CCc2c1ccs2 269862a_100015189416_100000011361 [0,1,0,1,0,0|1,1,0]=4 18193 B14R2.9636 OCCCNC1CCc2c1ccs2 269862a_100000182051_100000011361 [0,1,0,1,0,0|1,1,0]=4 18194 B14R2.15067 C(=NNCC1CCC1)c2ccco2 4a_200020586977_100000186105 [0,1,0,1,0,0|1,0,1]=4 18195 B14R2.15067 c1c[nH]c(n1)CCOCC2CCC2 34a_103549771195_100000763275 [0,1,0,1,0,0|2,0,0]=4 18196 B14R2.15067 c1cc(cs1)CCCOC2CCC2 34a_200000699776_100000749161 [0,1,0,1,0,0|2,0,0]=4 18197 B14R2.15067 c1cc(cs1)CCNCC2CCC2 2230a_100000692642_100000763275 [0,1,0,1,0,0|2,0,0]=4 18198 B14R2.15067 c1cc(cs1)CCNCC2CCC2 269862a_100000692642_100000753134 [0,1,0,1,0,0|2,0,0]=4 18199 B14R2.15067 c1cc(cs1)CCNCC2CCC2 34a_100000692642_100000763275 [0,1,0,1,0,0|2,0,0]=4 18200 B14R2.15067 c1cc(cs1)CCOCC2CCC2 34a_100000748821_100000763275 [0,1,0,1,0,0|2,0,0]=4 18201 B14R2.15067 c1ccn(c1)CCCNC2CCC2 2230a_100000749019_200009814367 [0,1,0,1,0,0|2,0,0]=4 18202 B14R2.15067 c1ccn(c1)CCCNC2CCC2 34a_100000749019_200009814367 [0,1,0,1,0,0|2,0,0]=4 18203 B14R2.15067 c1ccn(c1)CCCOC2CCC2 34a_100000179399_100000749161 [0,1,0,1,0,0|2,0,0]=4 18204 B14R2.15067 c1ccn(c1)CCCOC2CCC2 34a_100000748187_200009814367 [0,1,0,1,0,0|2,0,0]=4 18205 B14R2.15067 c1ccn(c1)CCCSC2CCC2 62a_200009814367_100000749161 [0,1,0,1,0,0|2,0,0]=4 18206 B14R2.15067 c1ccn(c1)CCNCC2CCC2 2230a_100000738700_200009811947 [0,1,0,1,0,0|2,0,0]=4 18207 B14R2.15067 c1ccn(c1)CCNCC2CCC2 269862a_100011368172_100000753134 [0,1,0,1,0,0|2,0,0]=4 18208 B14R2.15067 c1ccn(c1)CCNCC2CCC2 34a_100011368172_100000763275 [0,1,0,1,0,0|2,0,0]=4 18209 B14R2.15067 c1ccn(c1)CCOCC2CCC2 34a_100000179382_100000763275 [0,1,0,1,0,0|2,0,0]=4 18210 B14R2.15067 c1ccn(c1)CCSCC2CCC2 62a_100000763275_200000035178 [0,1,0,1,0,0|2,0,0]=4 18211 B14R2.15067 c1ccn(c1)CCSCC2CCC2 62a_200009811947_100000763275 [0,1,0,1,0,0|2,0,0]=4 18212 B14R2.15067 c1cnn(c1)CCCNC2CCC2 2230a_100000749019_100000739983 [0,1,0,1,0,0|2,0,0]=4 18213 B14R2.15067 c1cnn(c1)CCCNC2CCC2 270004a_100000737576_100000241760 [0,1,0,1,0,0|2,0,0]=4 18214 B14R2.15067 c1cnn(c1)CCCOC2CCC2 34a_100000753614_100000749161 [0,1,0,1,0,0|2,0,0]=4 18215 B14R2.15067 c1cnn(c1)CCCSC2CCC2 62a_100000739983_100000749161 [0,1,0,1,0,0|2,0,0]=4 18216 B14R2.15067 c1cnn(c1)CCNCC2CCC2 2230a_100000738700_100000685285 [0,1,0,1,0,0|2,0,0]=4 18217 B14R2.15067 c1cnn(c1)CCNCC2CCC2 2230a_100011200920_100000763275 [0,1,0,1,0,0|2,0,0]=4 18218 B14R2.15067 c1cnn(c1)CCNCC2CCC2 269862a_100011200920_100000753134 [0,1,0,1,0,0|2,0,0]=4 18219 B14R2.15067 c1cnn(c1)CCNCC2CCC2 34a_100000738700_100015204718 [0,1,0,1,0,0|2,0,0]=4 18220 B14R2.15067 c1cnn(c1)CCOCC2CCC2 34a_100000743371_100000763275 [0,1,0,1,0,0|2,0,0]=4 18221 B14R2.15067 c1cnn(c1)CCOCC2CCC2 34a_100000760304_100015204718 [0,1,0,1,0,0|2,0,0]=4 18222 B14R2.15067 c1cnn(c1)CCSCC2CCC2 62a_100000763275_100000685285 [0,1,0,1,0,0|2,0,0]=4 18223 B14R2.15067 c1cnn(c1)CCSCC2CCC2 62a_100015204718_100000763275 [0,1,0,1,0,0|2,0,0]=4 18224 B14R2.15067 c1coc(c1)CCNCC2CCC2 2230a_100000694680_100000763275 [0,1,0,1,0,0|0,0,0]=2 18225 B14R2.15067 c1coc(c1)CCNCC2CCC2 269862a_100000694680_100000753134 [0,1,0,1,0,0|0,0,0]=2 18226 B14R2.15067 c1coc(c1)CCNCC2CCC2 34a_100000694680_100000763275 [0,1,0,1,0,0|0,0,0]=2 18227 B14R2.15067 c1coc(c1)CCNCC2CCO2 2230a_100000694680_100000103362 [0,1,0,1,0,0|1,0,0]=3 18228 B14R2.15067 c1coc(c1)CCNCC2CCO2 34a_100000694680_100000103362 [0,1,0,1,0,0|1,0,0]=3 18229 B14R2.15067 c1coc(c1)CCNCC2COC2 2230a_100000694680_100010264016 [0,1,0,1,0,0|1,0,0]=3 18230 B14R2.15067 c1coc(c1)CCNCC2COC2 34a_100000694680_100010264016 [0,1,0,1,0,0|1,0,0]=3 18231 B14R2.15067 c1coc(n1)COCCC2COC2 34a_100009855314_103436540062 [0,1,0,1,0,0|2,0,0]=4 18232 B14R2.15067 c1csc(c1)CCCNC2CCC2 2230a_100000749019_100010992444 [0,1,0,1,0,0|0,1,0]=3 18233 B14R2.15067 c1csc(c1)CCCNC2CCC2 34a_100000749019_100010992444 [0,1,0,1,0,0|0,1,0]=3 18234 B14R2.15067 c1csc(c1)CCCNC2COC2 2230a_100016991112_100010992444 [0,1,0,1,0,0|1,1,0]=4 18235 B14R2.15067 c1csc(c1)CCCOC2CCC2 34a_100000748187_100010992444 [0,1,0,1,0,0|0,1,0]=3 18236 B14R2.15067 c1csc(c1)CCCOC2CCC2 34a_100011713143_100000749161 [0,1,0,1,0,0|0,1,0]=3 18237 B14R2.15067 c1csc(c1)CCCOC2COC2 34a_100011713143_100009818527 [0,1,0,1,0,0|1,1,0]=4 18238 B14R2.15067 c1csc(c1)CCCOC2COC2 7a_100011713143_100009818527 [0,1,0,1,0,0|1,1,0]=4 18239 B14R2.15067 c1csc(c1)CCCOC2CSC2 7a_100000072292_100010992444 [0,1,0,1,0,0|1,1,0]=4 18240 B14R2.15067 c1csc(c1)CCCSC2CCC2 62a_100010992444_100000749161 [0,1,0,1,0,0|0,1,0]=3 18241 B14R2.15067 c1csc(c1)CCCSC2COC2 62a_100010992444_100009818527 [0,1,0,1,0,0|1,1,0]=4 18242 B14R2.15067 c1csc(c1)CCNCC2CCC2 2230a_100000203755_100000763275 [0,1,0,1,0,0|0,1,0]=3 18243 B14R2.15067 c1csc(c1)CCNCC2CCC2 2230a_100000738700_100000748579 [0,1,0,1,0,0|0,1,0]=3 18244 B14R2.15067 c1csc(c1)CCNCC2CCC2 269862a_100000203755_100000753134 [0,1,0,1,0,0|0,1,0]=3 18245 B14R2.15067 c1csc(c1)CCNCC2CCC2 34a_100000203755_100000763275 [0,1,0,1,0,0|0,1,0]=3 18246 B14R2.15067 c1csc(c1)CCNCC2CCC2 34a_100000738700_100000748579 [0,1,0,1,0,0|0,1,0]=3 18247 B14R2.15067 c1csc(c1)CCNCC2CCO2 2230a_100000203755_100000103362 [0,1,0,1,0,0|1,1,0]=4 18248 B14R2.15067 c1csc(c1)CCNCC2CCO2 34a_100000203755_100000103362 [0,1,0,1,0,0|1,1,0]=4 18249 B14R2.15067 c1csc(c1)CCNCC2COC2 2230a_100000203755_100010264016 [0,1,0,1,0,0|1,1,0]=4 18250 B14R2.15067 c1csc(c1)CCNCC2COC2 2230a_100015281925_100000748579 [0,1,0,1,0,0|1,1,0]=4 18251 B14R2.15067 c1csc(c1)CCNCC2COC2 34a_100000203755_100010264016 [0,1,0,1,0,0|1,1,0]=4 18252 B14R2.15067 c1csc(c1)CCNCC2COC2 34a_100015281925_100000748579 [0,1,0,1,0,0|1,1,0]=4 18253 B14R2.15067 c1csc(c1)CCNC[C@@H]2CCO2 2230a_100020831831_100000748579 [0,1,0,1,0,0|1,1,0]=4 18254 B14R2.15067 c1csc(c1)CCNC[C@@H]2CCO2 34a_100020831831_100000748579 [0,1,0,1,0,0|1,1,0]=4 18255 B14R2.15067 c1csc(c1)CCOCC2CCC2 34a_100000760304_100000748579 [0,1,0,1,0,0|0,1,0]=3 18256 B14R2.15067 c1csc(c1)CCOCC2CCC2 34a_100011216825_100000763275 [0,1,0,1,0,0|0,1,0]=3 18257 B14R2.15067 c1csc(c1)CCOCC2CCC2 7a_100011216825_100000763275 [0,1,0,1,0,0|0,1,0]=3 18258 B14R2.15067 c1csc(c1)CCOCC2CCO2 34a_100000039022_100000748579 [0,1,0,1,0,0|1,1,0]=4 18259 B14R2.15067 c1csc(c1)CCOCC2CCO2 34a_100011216825_100000103362 [0,1,0,1,0,0|1,1,0]=4 18260 B14R2.15067 c1csc(c1)CCOCC2CCO2 7a_100011216825_100000103362 [0,1,0,1,0,0|1,1,0]=4 18261 B14R2.15067 c1csc(c1)CCOCC2CNC2 34a_100016987283_100000748579 [0,1,0,1,0,0|1,1,0]=4 18262 B14R2.15067 c1csc(c1)CCOCC2COC2 34a_100000060846_100000748579 [0,1,0,1,0,0|1,1,0]=4 18263 B14R2.15067 c1csc(c1)CCOCC2COC2 34a_100011216825_100010264016 [0,1,0,1,0,0|1,1,0]=4 18264 B14R2.15067 c1csc(c1)CCOCC2COC2 7a_100011216825_100010264016 [0,1,0,1,0,0|1,1,0]=4 18265 B14R2.15067 c1csc(c1)CCSCC2CCC2 62a_100000748579_100000763275 [0,1,0,1,0,0|0,1,0]=3 18266 B14R2.15067 c1csc(c1)CCSCC2CCC2 62a_100000763275_100000748579 [0,1,0,1,0,0|0,1,0]=3 18267 B14R2.15067 c1csc(c1)CCSCC2CCO2 62a_100000103362_100000748579 [0,1,0,1,0,0|1,1,0]=4 18268 B14R2.15067 c1csc(c1)CCSCC2CCO2 62a_100000748579_100000103362 [0,1,0,1,0,0|1,1,0]=4 18269 B14R2.15067 c1csc(c1)CCSCC2COC2 62a_100000748579_100010264016 [0,1,0,1,0,0|1,1,0]=4 18270 B14R2.15067 c1csc(c1)CCSCC2COC2 62a_100010264016_100000748579 [0,1,0,1,0,0|1,1,0]=4 18271 B14R2.15067 c1csc(n1)CCNCC2CCC2 2230a_100015186391_100000763275 [0,1,0,1,0,0|1,1,0]=4 18272 B14R2.15067 c1csc(n1)CCNCC2CCC2 269862a_100015186391_100000753134 [0,1,0,1,0,0|1,1,0]=4 18273 B14R2.15067 c1nc(c[nH]1)CCNCC2CCC2 2230a_100000738700_100020628418 [0,1,0,1,0,0|2,0,0]=4 18274 B14R2.15067 c1nc(c[nH]1)CCSCC2CCC2 62a_100000763275_100020628418 [0,1,0,1,0,0|2,0,0]=4 18275 B14R2.15067 c1nc(c[nH]1)CCSCC2CCC2 62a_100020628418_100000763275 [0,1,0,1,0,0|2,0,0]=4 18276 B14R2.15067 c1ncc(s1)CCNCC2CCC2 2230a_100016991637_100000763275 [0,1,0,1,0,0|1,1,0]=4 18277 B14R2.15067 c1ncc(s1)CCNCC2CCC2 269862a_100016991637_100000753134 [0,1,0,1,0,0|1,1,0]=4 18278 B14R2.674 CC1CC1C(=O)CCc2cccs2 1458a_100000211227_100000748579 [0,1,0,1,0,0|0,1,1]=4 18279 B14R2.674 CC1CC1C(=O)NCc2ccco2 11a_100000185738_100000211227 [0,1,0,1,0,0|1,0,1]=4 18280 B14R2.674 CC1CC1C(=O)NCc2ccco2 1626a_100000185738_100000211227 [0,1,0,1,0,0|1,0,1]=4 18281 B14R2.674 CC1CC1C(=O)NCc2ccco2 527a_100000185738_100000211227 [0,1,0,1,0,0|1,0,1]=4 18282 B14R2.991 CCCCN1CCc2sccc2C1 2230a_100015185043_100000210211 [0,1,0,1,0,0|1,1,0]=4 18283 B14R2.991 CCCCN1CCc2sccc2C1 269982a_100015185043_100000210211 [0,1,0,1,0,0|1,1,0]=4 18284 B14R2.991 CCCCN1CCc2sccc2C1 34a_100015185043_100000210210 [0,1,0,1,0,0|1,1,0]=4 18285 B14R2.1185 CCC1CN(C1)CCc2cccs2 2230a_100015205115_100000748579 [0,1,0,1,0,0|1,1,0]=4 18286 B14R2.1185 CCC1CN(C1)CCc2cccs2 269982a_100015205115_100000748579 [0,1,0,1,0,0|1,1,0]=4 18287 B14R2.1185 CO[C@H]1C[C@@H](C1)NCc2ccco2 207a_100121570643_100000186105 [0,1,0,1,0,0|2,0,0]=4 18288 B14R2.1185 CO[C@H]1C[C@@H](C1)NCc2ccco2 270004a_100121570643_100000186105 [0,1,0,1,0,0|2,0,0]=4 18289 B14R2.1185 OCC1CC(C1)NCc2ccco2 207a_100000095622_100000186105 [0,1,0,1,0,0|2,0,0]=4 18290 B14R2.1185 OCC1CC(C1)NCc2ccco2 270004a_100000095622_100000186105 [0,1,0,1,0,0|2,0,0]=4 18291 B14R2.1185 OCC1CC(C1)NCc2ccco2 270004a_100000185738_100000101936 [0,1,0,1,0,0|2,0,0]=4 18292 B14R2.4572 CC1CCC(N1Cc2ncco2)C 2230a_100000687148_103436540062 [0,1,0,1,0,0|2,0,0]=4 18293 B14R2.4572 CC1CCC(N1Cc2ncco2)C 269982a_100000687148_103436540062 [0,1,0,1,0,0|2,0,0]=4 18294 B14R2.4572 CC1CCC(N1Cc2ncco2)C 34a_100000687148_103436540062 [0,1,0,1,0,0|2,0,0]=4 18295 B14R2.5478 CC1(CCCC1)OCc2ncco2 34a_100000751722_103436540062 [0,1,0,1,0,0|2,0,0]=4 18296 B14R2.5478 CC1(CCCC1)OCc2ncco2 7a_100000751722_103436540062 [0,1,0,1,0,0|2,0,0]=4 18297 B14R2.5478 CC1(CCOC1)NCc2ccco2 207a_100000693475_100000186105 [0,1,0,1,0,0|2,0,0]=4 18298 B14R2.5478 CC1(CCOC1)NCc2ccco2 270004a_100000693475_100000186105 [0,1,0,1,0,0|2,0,0]=4 18299 B14R2.13184 CC(CC1CC1)NCc2ccco2 270004a_100000185738_200000686933 [0,1,0,1,0,0|1,0,0]=3 18300 B14R2.13184 CC(CC1CC1)NCc2cccs2 270004a_100000211653_200000686933 [0,1,0,1,0,0|1,1,0]=4 18301 B14R2.13184 CC(CC1CC1)NCc2cnco2 270004a_100020634212_200000686933 [0,1,0,1,0,0|2,0,0]=4 18302 B14R2.13184 CC(CCc1ccco1)NC2CC2 34a_100000199034_100000211595 [0,1,0,1,0,0|1,0,0]=3 18303 B14R2.13184 CN(CCc1cccs1)CC2CC2 2230a_100000741881_100000748579 [0,1,0,1,0,0|1,1,0]=4 18304 B14R2.13184 CN(CCc1cccs1)CC2CC2 269982a_100000741881_100000748579 [0,1,0,1,0,0|1,1,0]=4 18305 B14R2.13184 O=C(CC1CC1)NCc2ccco2 11a_100000185738_100000738066 [0,1,0,1,0,0|1,0,1]=4 18306 B14R2.13184 O=C(CC1CC1)NCc2ccco2 1626a_100000185738_100000738066 [0,1,0,1,0,0|1,0,1]=4 18307 B14R2.13184 O=C(CC1CC1)NCc2ccco2 240690a_100000185738_100000738066 [0,1,0,1,0,0|1,0,1]=4 18308 B14R2.13184 O=C(CC1CC1)NCc2ccco2 527a_100000185738_100000738066 [0,1,0,1,0,0|1,0,1]=4 18309 B14R2.13184 O=C(CCc1ccc[nH]1)CC2CC2 1458a_200011998680_100000742324 [0,1,0,1,0,0|1,0,1]=4 18310 B14R2.13184 O=C(CCc1ccco1)CC2CC2 1458a_100000185103_100000742324 [0,1,0,1,0,0|0,0,1]=3 18311 B14R2.13184 O=C(CCc1ccco1)CC2CO2 1458a_100000185103_100011216344 [0,1,0,1,0,0|1,0,1]=4 18312 B14R2.13184 O=C(CCc1ccco1)CC2CS2 1458a_100000185103_100000031435 [0,1,0,1,0,0|1,0,1]=4 18313 B14R2.13184 O=C(CCc1ccco1)C[C@@H]2CO2 1458a_100000185103_100000745022 [0,1,0,1,0,0|1,0,1]=4 18314 B14R2.13184 O=C(CCc1ccco1)NC2CC2 1626a_100000212008_100000185103 [0,1,0,1,0,0|1,0,1]=4 18315 B14R2.13184 O=C(CCc1ccco1)NC2CC2 527a_100000212008_100000185103 [0,1,0,1,0,0|1,0,1]=4 18316 B14R2.13184 O=C(CCc1cccs1)CC2CC2 1458a_100000185280_100000742324 [0,1,0,1,0,0|0,1,1]=4 18317 B14R2.13184 O=C(CCc1cccs1)CC2CC2 1458a_100000738066_100000748579 [0,1,0,1,0,0|0,1,1]=4 18318 B14R2.40225 CC(NCc1ccco1)C2CCC2 207a_100016994624_100000186105 [0,1,0,1,0,0|1,0,0]=3 18319 B14R2.40225 CC(NCc1ccco1)C2CCC2 270004a_100016994624_100000186105 [0,1,0,1,0,0|1,0,0]=3 18320 B14R2.40225 CC(NCc1cccs1)C2CCC2 207a_100016994624_100000209959 [0,1,0,1,0,0|1,1,0]=4 18321 B14R2.40225 CC(NCc1cccs1)C2CCC2 269862a_100000211653_100000760154 [0,1,0,1,0,0|1,1,0]=4 18322 B14R2.40225 CC(NCc1cccs1)C2CCC2 270004a_100016994624_100000209959 [0,1,0,1,0,0|1,1,0]=4 18323 B14R2.40225 CC(NCc1cnco1)C2CCC2 269862a_100020634212_100000760154 [0,1,0,1,0,0|2,0,0]=4 18324 B14R2.40225 CC(NCc1cnco1)C2CCC2 270004a_100016994624_100000064291 [0,1,0,1,0,0|2,0,0]=4 18325 B14R2.40225 CC(NCc1ncco1)C2CCC2 2230a_100016994624_103436540062 [0,1,0,1,0,0|2,0,0]=4 18326 B14R2.40225 CC(NCc1ncco1)C2CCC2 270004a_100016994624_100000064290 [0,1,0,1,0,0|2,0,0]=4 18327 B14R2.40225 CC(NCc1ncco1)C2CCC2 34a_100016994624_103436540062 [0,1,0,1,0,0|2,0,0]=4 18328 B14R2.40225 CC(OCc1ncco1)C2CCC2 34a_100000766398_103436540062 [0,1,0,1,0,0|2,0,0]=4 18329 B14R2.40225 CC(OCc1ncco1)C2CCC2 7a_100000766398_103436540062 [0,1,0,1,0,0|2,0,0]=4 18330 B14R2.40225 CN(CCc1cccs1)C2CCC2 2230a_100000758072_100000748579 [0,1,0,1,0,0|1,1,0]=4 18331 B14R2.40225 CN(CCc1cccs1)C2CCC2 269982a_100000758072_100000748579 [0,1,0,1,0,0|1,1,0]=4 18332 B14R2.40225 CN(CCc1cccs1)C2CCC2 34a_100000758072_100000748579 [0,1,0,1,0,0|1,1,0]=4 18333 B14R2.40225 O=C(CCc1ccc[nH]1)C2CCC2 1458a_200011998680_100000749161 [0,1,0,1,0,0|1,0,1]=4 18334 B14R2.40225 O=C(CCc1ccco1)C2CCC2 1458a_100000185103_100000749161 [0,1,0,1,0,0|0,0,1]=3 18335 B14R2.40225 O=C(CCc1ccco1)C2COC2 1458a_100000185103_100000687716 [0,1,0,1,0,0|1,0,1]=4 18336 B14R2.40225 O=C(CCc1ccco1)N2CCC2 11a_100000754969_100000185103 [0,1,0,1,0,0|1,0,1]=4 18337 B14R2.40225 O=C(CCc1ccco1)N2CCC2 527a_100000754969_100000185103 [0,1,0,1,0,0|1,0,1]=4 18338 B14R2.40225 O=C(CCc1cccs1)C2CCC2 1458a_100000185280_100000749161 [0,1,0,1,0,0|0,1,1]=4 18339 B14R2.40225 O=C(CCc1cccs1)C2CCC2 1458a_100000209988_100000748579 [0,1,0,1,0,0|0,1,1]=4 18340 B14R2.40225 O=C(CSc1ccco1)C2CCC2 62a_100000686122_100009814098 [0,1,0,1,0,0|1,0,1]=4 18341 B14R2.40225 O=C(CSc1ccco1)C2CCC2 62a_100009814098_100000686122 [0,1,0,1,0,0|1,0,1]=4 18342 B14R2.40225 O=C(NCc1ccco1)C2CCC2 11a_100000185738_100000209988 [0,1,0,1,0,0|1,0,1]=4 18343 B14R2.40225 O=C(NCc1ccco1)C2CCC2 1626a_100000185738_100000209988 [0,1,0,1,0,0|1,0,1]=4 18344 B14R2.40225 O=C(NCc1ccco1)C2CCC2 240690a_100000185738_100000209988 [0,1,0,1,0,0|1,0,1]=4 18345 B14R2.40225 O=C(NCc1ccco1)C2CCC2 527a_100000185738_100000209988 [0,1,0,1,0,0|1,0,1]=4 18346 B14R2.119 CCN1CCC(C1)Sc2ccco2 62a_100009814098_200011861547 [0,1,0,1,0,0|2,0,0]=4 18347 B14R2.119 CO[C@@H]1CCN(C1)Cc2ccco2 270004a_100000766984_100000186105 [0,1,0,1,0,0|2,0,0]=4 18348 B14R2.119 OCC1CCN(C1)Cc2ccco2 270004a_100000748654_100000186105 [0,1,0,1,0,0|2,0,0]=4 18349 B14R2.523 CCOC1CN(C1)Cc2ccco2 270004a_100000732654_100000186105 [0,1,0,1,0,0|2,0,0]=4 18350 B14R2.523 COCC1CN(C1)Cc2ccco2 270004a_100016993750_100000186105 [0,1,0,1,0,0|2,0,0]=4 18351 B14R2.716 CC1CN(CCO1)Cc2ccco2 270004a_100000729577_100000186105 [0,1,0,1,0,0|2,0,0]=4 18352 B14R2.716 C[C@H]1CCCN(C1)Cc2ccco2 270004a_100000717927_100000186105 [0,1,0,1,0,0|1,0,0]=3 18353 B14R2.716 C[C@H]1CCCN(C1)Cc2cccs2 270004a_100000717927_100000209959 [0,1,0,1,0,0|1,1,0]=4 18354 B14R2.716 C[C@H]1CCCN(C1)Cc2cnco2 270004a_100000717927_100000064291 [0,1,0,1,0,0|2,0,0]=4 18355 B14R2.716 C[C@H]1CCCN(C1)Cc2ncco2 2230a_100000717927_103436540062 [0,1,0,1,0,0|2,0,0]=4 18356 B14R2.716 C[C@H]1CCCN(C1)Cc2ncco2 269982a_100000717927_103436540062 [0,1,0,1,0,0|2,0,0]=4 18357 B14R2.716 C[C@H]1CCCN(C1)Cc2ncco2 270004a_100000717927_100000064290 [0,1,0,1,0,0|2,0,0]=4 18358 B14R2.716 C[C@H]1CCCN(C1)Cc2ncco2 34a_100000717927_103436540062 [0,1,0,1,0,0|2,0,0]=4 18359 B14R2.716 FC1CCCN(C1)Cc2ccco2 270004a_100000697950_100000186105 [0,1,0,1,0,0|1,0,0]=3 18360 B14R2.716 FC1CCCN(C1)Cc2cccs2 270004a_100000697950_100000209959 [0,1,0,1,0,0|1,1,0]=4 18361 B14R2.716 FC1CCCN(C1)Cc2cnco2 270004a_100000697950_100000064291 [0,1,0,1,0,0|2,0,0]=4 18362 B14R2.716 FC1CCCN(C1)Cc2ncco2 2230a_100000697950_103436540062 [0,1,0,1,0,0|2,0,0]=4 18363 B14R2.716 FC1CCCN(C1)Cc2ncco2 269982a_100000697950_103436540062 [0,1,0,1,0,0|2,0,0]=4 18364 B14R2.716 FC1CCCN(C1)Cc2ncco2 270004a_100000697950_100000064290 [0,1,0,1,0,0|2,0,0]=4 18365 B14R2.716 FC1CCCN(C1)Cc2ncco2 34a_100000697950_103436540062 [0,1,0,1,0,0|2,0,0]=4 18366 B14R2.716 OC1CCCN(C1)Cc2ccco2 270004a_100000211013_100000186105 [0,1,0,1,0,0|1,0,0]=3 18367 B14R2.716 OC1CCCN(C1)Cc2cccs2 270004a_100000211013_100000209959 [0,1,0,1,0,0|1,1,0]=4 18368 B14R2.716 OC1CCCN(C1)Cc2cnco2 270004a_100000211013_100000064291 [0,1,0,1,0,0|2,0,0]=4 18369 B14R2.716 OC1CCCN(C1)Cc2ncco2 2230a_100000211013_103436540062 [0,1,0,1,0,0|2,0,0]=4 18370 B14R2.716 OC1CCCN(C1)Cc2ncco2 269982a_100000211013_103436540062 [0,1,0,1,0,0|2,0,0]=4 18371 B14R2.716 OC1CCCN(C1)Cc2ncco2 270004a_100000211013_100000064290 [0,1,0,1,0,0|2,0,0]=4 18372 B14R2.716 OC1CN(CCO1)Cc2ccco2 270004a_100000688207_100000186105 [0,1,0,1,0,0|2,0,0]=4 18373 B14R2.731 CC1CCN1C(=O)Cc2ccco2 11a_100000755817_100011217309 [0,1,0,1,0,0|1,0,1]=4 18374 B14R2.731 CC1CCN1C(=O)Cc2ccco2 527a_100000755817_100011217309 [0,1,0,1,0,0|1,0,1]=4 18375 B14R2.1046 CCC1CC1C(=O)Cc2ncco2 1458a_200011661523_103436540062 [0,1,0,1,0,0|1,0,1]=4 18376 B14R2.9599 CC(Cc1ccco1)NCC2CC2 270004a_100000735609_100011216958 [0,1,0,1,0,0|1,0,0]=3 18377 B14R2.9599 CC(Cc1ccco1)OCC2CC2 34a_100011803939_100000742324 [0,1,0,1,0,0|1,0,0]=3 18378 B14R2.9599 CC(Cc1ccco1)OCC2CC2 7a_100011803939_100000742324 [0,1,0,1,0,0|1,0,0]=3 18379 B14R2.9599 CC(Cc1ccco1)OCC2CO2 34a_100011803939_102125554688 [0,1,0,1,0,0|2,0,0]=4 18380 B14R2.9599 CC(Cc1ccco1)OCC2CO2 7a_100011803939_102125554688 [0,1,0,1,0,0|2,0,0]=4 18381 B14R2.9599 CC(Cc1ccco1)OCC2CS2 7a_100011803939_100000031435 [0,1,0,1,0,0|2,0,0]=4 18382 B14R2.9599 CC(Cc1ccco1)OC[C@@H]2CO2 7a_100011803939_100000745022 [0,1,0,1,0,0|2,0,0]=4 18383 B14R2.9599 CC(Cc1cccs1)NCC2CC2 2230a_100000751415_100000742324 [0,1,0,1,0,0|1,1,0]=4 18384 B14R2.9599 CC(Cc1cccs1)NCC2CC2 269862a_100000751415_100000741477 [0,1,0,1,0,0|1,1,0]=4 18385 B14R2.9599 CN(CCC1CC1)Cc2ccco2 2230a_100000185268_100000694398 [0,1,0,1,0,0|1,0,0]=3 18386 B14R2.9599 CN(CCC1CC1)Cc2ccco2 269982a_100000185268_100000694398 [0,1,0,1,0,0|1,0,0]=3 18387 B14R2.9599 CN(CCC1CC1)Cc2cccs2 2230a_100000184426_100000694398 [0,1,0,1,0,0|1,1,0]=4 18388 B14R2.9599 CN(CCC1CC1)Cc2cccs2 269982a_100000184426_100000694398 [0,1,0,1,0,0|1,1,0]=4 18389 B14R2.9599 CN(CCC1CO1)Cc2ccco2 2230a_100000185268_100000732470 [0,1,0,1,0,0|2,0,0]=4 18390 B14R2.9599 CN(CCC1CO1)Cc2ccco2 269982a_100000185268_100000732470 [0,1,0,1,0,0|2,0,0]=4 18391 B14R2.9599 O=C(CCC1CC1)Cc2ccc[nH]2 1458a_100000238377_100000694398 [0,1,0,1,0,0|1,0,1]=4 18392 B14R2.9599 O=C(CCC1CC1)Cc2ccco2 1458a_100011217309_100000694398 [0,1,0,1,0,0|0,0,1]=3 18393 B14R2.9599 O=C(CCC1CC1)Cc2cccs2 1458a_100000210189_100000694398 [0,1,0,1,0,0|0,1,1]=4 18394 B14R2.9599 O=C(CCC1CC1)Cc2ncco2 1458a_100000756386_103436540062 [0,1,0,1,0,0|1,0,1]=4 18395 B14R2.9599 O=C(CCC1CO1)Cc2ccco2 1458a_100011217309_100000732470 [0,1,0,1,0,0|1,0,1]=4 18396 B14R2.9599 O=C(Cc1ccco1)NCC2CC2 11a_100000735609_100011217309 [0,1,0,1,0,0|1,0,1]=4 18397 B14R2.9599 O=C(Cc1ccco1)NCC2CC2 527a_100000735609_100011217309 [0,1,0,1,0,0|1,0,1]=4 18398 B14R2.31918 CC(Cc1ccco1)NC2COC2 270004a_100016991112_100011216958 [0,1,0,1,0,0|2,0,0]=4 18399 B14R2.31918 CC(Cc1ccco1)NC2CSC2 270004a_100016994217_100011216958 [0,1,0,1,0,0|2,0,0]=4 18400 B14R2.31918 CC(Cc1ccco1)OC2CCC2 34a_100011803939_100000749161 [0,1,0,1,0,0|1,0,0]=3 18401 B14R2.31918 CC(Cc1ccco1)OC2COC2 34a_100011803939_100009818527 [0,1,0,1,0,0|2,0,0]=4 18402 B14R2.31918 CC(Cc1ccco1)OC2COC2 7a_100011803939_100009818527 [0,1,0,1,0,0|2,0,0]=4 18403 B14R2.31918 CC(Cc1cccs1)NC2CCC2 270004a_100000751415_100000241760 [0,1,0,1,0,0|1,1,0]=4 18404 B14R2.31918 CN(Cc1ccco1)CC2CCC2 2230a_100000185268_100000763275 [0,1,0,1,0,0|1,0,0]=3 18405 B14R2.31918 CN(Cc1ccco1)CC2CCC2 269982a_100000185268_100000763275 [0,1,0,1,0,0|1,0,0]=3 18406 B14R2.31918 CN(Cc1ccco1)CC2CCC2 270004a_200000750244_100000186105 [0,1,0,1,0,0|1,0,0]=3 18407 B14R2.31918 CN(Cc1ccco1)CC2CCO2 2230a_100000185268_100000103362 [0,1,0,1,0,0|2,0,0]=4 18408 B14R2.31918 CN(Cc1ccco1)CC2CCO2 269982a_100000185268_100000103362 [0,1,0,1,0,0|2,0,0]=4 18409 B14R2.31918 CN(Cc1ccco1)CC2COC2 2230a_100000185268_100010264016 [0,1,0,1,0,0|2,0,0]=4 18410 B14R2.31918 CN(Cc1ccco1)CC2COC2 269982a_100000185268_100010264016 [0,1,0,1,0,0|2,0,0]=4 18411 B14R2.31918 CN(Cc1cccs1)CC2CCC2 2230a_100000184426_100000763275 [0,1,0,1,0,0|1,1,0]=4 18412 B14R2.31918 CN(Cc1cccs1)CC2CCC2 269982a_100000184426_100000763275 [0,1,0,1,0,0|1,1,0]=4 18413 B14R2.31918 CN(Cc1cccs1)CC2CCC2 270004a_200000750244_100000209959 [0,1,0,1,0,0|1,1,0]=4 18414 B14R2.31918 CN(Cc1cnco1)CC2CCC2 270004a_200000750244_100000064291 [0,1,0,1,0,0|2,0,0]=4 18415 B14R2.31918 CN(Cc1ncco1)CC2CCC2 2230a_200000750244_103436540062 [0,1,0,1,0,0|2,0,0]=4 18416 B14R2.31918 CN(Cc1ncco1)CC2CCC2 269982a_200000750244_103436540062 [0,1,0,1,0,0|2,0,0]=4 18417 B14R2.31918 CN(Cc1ncco1)CC2CCC2 270004a_200000750244_100000064290 [0,1,0,1,0,0|2,0,0]=4 18418 B14R2.31918 CN(Cc1ncco1)CC2CCC2 34a_200000750244_103436540062 [0,1,0,1,0,0|2,0,0]=4 18419 B14R2.31918 O=C(Cc1ccc[nH]1)CC2CCC2 1458a_100000238377_100000763275 [0,1,0,1,0,0|1,0,1]=4 18420 B14R2.31918 O=C(Cc1ccco1)CC2CCC2 1458a_100011217309_100000763275 [0,1,0,1,0,0|0,0,1]=3 18421 B14R2.31918 O=C(Cc1ccco1)CC2CCO2 1458a_100011217309_100000103362 [0,1,0,1,0,0|1,0,1]=4 18422 B14R2.31918 O=C(Cc1ccco1)CC2COC2 1458a_100011217309_100010264016 [0,1,0,1,0,0|1,0,1]=4 18423 B14R2.31918 O=C(Cc1ccco1)NC2CCC2 11a_100000749019_100011217309 [0,1,0,1,0,0|1,0,1]=4 18424 B14R2.31918 O=C(Cc1ccco1)NC2CCC2 527a_100000749019_100011217309 [0,1,0,1,0,0|1,0,1]=4 18425 B14R2.31918 O=C(Cc1cccs1)CC2CCC2 1458a_100000210189_100000763275 [0,1,0,1,0,0|0,1,1]=4 18426 B14R2.31918 O=C(Cc1ncco1)CC2CCC2 1458a_100000763092_103436540062 [0,1,0,1,0,0|1,0,1]=4 18427 B14R2.439 C=C1CC(C1)CNCc2ccco2 207a_100102567296_100000186105 [0,1,0,1,0,0|1,0,1]=4 18428 B14R2.439 C=C1CC(C1)CNCc2ccco2 270004a_100102567296_100000186105 [0,1,0,1,0,0|1,0,1]=4 18429 B14R2.439 CC1CN(C1)CCCc2cccs2 2230a_100000702820_100010992444 [0,1,0,1,0,0|1,1,0]=4 18430 B14R2.439 CC1CN(C1)CCCc2cccs2 269982a_100000702820_100010992444 [0,1,0,1,0,0|1,1,0]=4 18431 B14R2.439 CC1CN(C1)CCCc2cccs2 34a_100000702820_100010992444 [0,1,0,1,0,0|1,1,0]=4 18432 B14R2.439 CN1CC(C1)CNCc2ccco2 270004a_100000723568_100000186105 [0,1,0,1,0,0|2,0,0]=4 18433 B14R2.439 ClC1CC(C1)COCc2ncco2 34a_100009874164_103436540062 [0,1,0,1,0,0|2,0,0]=4 18434 B14R2.439 FC1CC(C1)NCCc2cccs2 2230a_100016993743_100000748579 [0,1,0,1,0,0|1,1,0]=4 18435 B14R2.439 FC1CN(C1)CCCc2cccs2 2230a_100000690557_100010992444 [0,1,0,1,0,0|1,1,0]=4 18436 B14R2.439 FC1CN(C1)CCCc2cccs2 269982a_100000690557_100010992444 [0,1,0,1,0,0|1,1,0]=4 18437 B14R2.439 FC1CN(C1)CCCc2cccs2 34a_100000690557_100010992444 [0,1,0,1,0,0|1,1,0]=4 18438 B14R2.439 O=C1CC(C1)CNCc2ccco2 2230a_100000185738_100009874392 [0,1,0,1,0,0|1,0,1]=4 18439 B14R2.439 OC1CC(C1)CNCc2ccco2 207a_100016992100_100000186105 [0,1,0,1,0,0|1,0,0]=3 18440 B14R2.439 OC1CC(C1)CNCc2ccco2 270004a_100016992100_100000186105 [0,1,0,1,0,0|1,0,0]=3 18441 B14R2.439 OC1CC(C1)CNCc2cccs2 207a_100016992100_100000209959 [0,1,0,1,0,0|1,1,0]=4 18442 B14R2.439 OC1CC(C1)CNCc2cccs2 270004a_100016992100_100000209959 [0,1,0,1,0,0|1,1,0]=4 18443 B14R2.439 OC1CC(C1)CNCc2cnco2 270004a_100016992100_100000064291 [0,1,0,1,0,0|2,0,0]=4 18444 B14R2.439 OC1CC(C1)CNCc2ncco2 2230a_100016992100_103436540062 [0,1,0,1,0,0|2,0,0]=4 18445 B14R2.439 OC1CC(C1)CNCc2ncco2 270004a_100016992100_100000064290 [0,1,0,1,0,0|2,0,0]=4 18446 B14R2.439 OC1CN(C1)CCCc2cccs2 269982a_100000749847_100010992444 [0,1,0,1,0,0|1,1,0]=4 18447 B14R2.439 O[C@H]1C[C@@H](C1)NCCc2cccs2 2230a_100020629032_100000748579 [0,1,0,1,0,0|1,1,0]=4 18448 B14R2.763 CC(=O)N1CCCC1c2ccco2 11a_100011206061_100015343762 [0,1,0,1,0,0|1,0,1]=4 18449 B14R2.763 CC(=O)N1CCCC1c2ccco2 1626a_100011206061_100015343762 [0,1,0,1,0,0|1,0,1]=4 18450 B14R2.763 CC(=O)N1CCCC1c2ccco2 240690a_100011206061_100015343762 [0,1,0,1,0,0|1,0,1]=4 18451 B14R2.763 CC(=O)N1CCCC1c2ccco2 527a_100011206061_100103153847 [0,1,0,1,0,0|1,0,1]=4 18452 B14R2.763 CC(C)N1CCCC1c2ccco2 2230a_100011206061_100000210206 [0,1,0,1,0,0|1,0,0]=3 18453 B14R2.763 CC(C)N1CCCC1c2ccco2 269982a_100011206061_100000210206 [0,1,0,1,0,0|1,0,0]=3 18454 B14R2.763 CC(C)N1CCCC1c2cccs2 2230a_100000185107_100000210206 [0,1,0,1,0,0|1,1,0]=4 18455 B14R2.763 CC(C)N1CCCC1c2cccs2 269982a_100000185107_100000210206 [0,1,0,1,0,0|1,1,0]=4 18456 B14R2.763 CC(C)N1CCCC1c2cccs2 34a_100000185107_100000210206 [0,1,0,1,0,0|1,1,0]=4 18457 B14R2.4671 CC1(CCCN1Cc2ccco2)C 270004a_100000761399_100000186105 [0,1,0,1,0,0|1,0,0]=3 18458 B14R2.4671 CC1(CCCN1Cc2cccs2)C 270004a_100000761399_100000209959 [0,1,0,1,0,0|1,1,0]=4 18459 B14R2.4671 CC1(CCCN1Cc2cnco2)C 270004a_100000761399_100000064291 [0,1,0,1,0,0|2,0,0]=4 18460 B14R2.4671 CC1(CCCN1Cc2ncco2)C 2230a_100000761399_103436540062 [0,1,0,1,0,0|2,0,0]=4 18461 B14R2.4671 CC1(CCCN1Cc2ncco2)C 269982a_100000761399_103436540062 [0,1,0,1,0,0|2,0,0]=4 18462 B14R2.4671 CC1(CCCN1Cc2ncco2)C 270004a_100000761399_100000064290 [0,1,0,1,0,0|2,0,0]=4 18463 B14R2.4671 CC1(CCCN1Cc2ncco2)C 34a_100000761399_103436540062 [0,1,0,1,0,0|2,0,0]=4 18464 B14R2.4671 CC1(COCN1Cc2ccco2)C 270004a_100000043020_100000186105 [0,1,0,1,0,0|2,0,0]=4 18465 B14R2.4671 CC1(SCCN1Cc2ccco2)C 270004a_100011217261_100000186105 [0,1,0,1,0,0|2,0,0]=4 18466 B14R2.4671 FC1(CCCC1Sc2ccco2)F 62a_100009814098_100119073726 [0,1,0,1,0,0|2,0,0]=4 18467 B14R2.4671 FC1(CCCC1Sc2ccco2)F 62a_100119073726_100009814098 [0,1,0,1,0,0|2,0,0]=4 18468 B14R2.9451 CC(C)CNC1CCc2c1ccs2 269862a_100000210953_100000011361 [0,1,0,1,0,0|1,1,0]=4 18469 B14R2.9451 CC(O)CNC1CCc2c1ccs2 269862a_100000210904_100000011361 [0,1,0,1,0,0|1,1,0]=4 18470 B14R2.21584 CC1(CC1COCc2ncco2)C 34a_100000728257_103436540062 [0,1,0,1,0,0|2,0,0]=4 18471 B14R2.21584 CC1(CC1COCc2ncco2)C 7a_100000728257_103436540062 [0,1,0,1,0,0|2,0,0]=4 18472 B14R2.21584 FC1(CC1CNCc2ccco2)F 2230a_100000185738_100009817841 [0,1,0,1,0,0|2,0,0]=4 18473 B14R2.21584 FC1(CC1CNCc2ccco2)F 34a_100000185738_100009817841 [0,1,0,1,0,0|2,0,0]=4 18474 B14R2.21584 FC1(CC1COCc2ccco2)F 34a_100000210059_100009817841 [0,1,0,1,0,0|2,0,0]=4 18475 B14R2.4658 CC1(CCC1)CNCc2ccco2 207a_100000706607_100000186105 [0,1,0,1,0,0|1,0,0]=3 18476 B14R2.4658 CC1(CCC1)CNCc2ccco2 2230a_100000185738_100000726658 [0,1,0,1,0,0|1,0,0]=3 18477 B14R2.4658 CC1(CCC1)CNCc2ccco2 270004a_100000706607_100000186105 [0,1,0,1,0,0|1,0,0]=3 18478 B14R2.4658 CC1(CCC1)CNCc2ccco2 34a_100000185738_100000726658 [0,1,0,1,0,0|1,0,0]=3 18479 B14R2.4658 CC1(CCC1)CNCc2cccs2 207a_100000706607_100000209959 [0,1,0,1,0,0|1,1,0]=4 18480 B14R2.4658 CC1(CCC1)CNCc2cccs2 2230a_100000211653_100000726658 [0,1,0,1,0,0|1,1,0]=4 18481 B14R2.4658 CC1(CCC1)CNCc2cccs2 270004a_100000706607_100000209959 [0,1,0,1,0,0|1,1,0]=4 18482 B14R2.4658 CC1(CCC1)CNCc2cnco2 270004a_100000706607_100000064291 [0,1,0,1,0,0|2,0,0]=4 18483 B14R2.4658 CC1(CCC1)CNCc2ncco2 2230a_100000706607_103436540062 [0,1,0,1,0,0|2,0,0]=4 18484 B14R2.4658 CC1(CCC1)CNCc2ncco2 2230a_100016994969_100000726658 [0,1,0,1,0,0|2,0,0]=4 18485 B14R2.4658 CC1(CCC1)CNCc2ncco2 270004a_100000706607_100000064290 [0,1,0,1,0,0|2,0,0]=4 18486 B14R2.4658 CC1(CCC1)COCc2ccco2 34a_100000210059_100000726658 [0,1,0,1,0,0|1,0,0]=3 18487 B14R2.4658 CC1(CCC1)COCc2cccs2 34a_100000211240_100000726658 [0,1,0,1,0,0|1,1,0]=4 18488 B14R2.4658 CC1(CCC1)COCc2ccno2 34a_100000740478_100000726658 [0,1,0,1,0,0|2,0,0]=4 18489 B14R2.4658 CC1(CCC1)COCc2ncco2 34a_100000062594_100000726658 [0,1,0,1,0,0|2,0,0]=4 18490 B14R2.4658 CC1(CCC1)CSCc2ncco2 62a_100000726658_103436540062 [0,1,0,1,0,0|2,0,0]=4 18491 B14R2.4658 CC1(CCC1)CSCc2ncco2 62a_103436540062_100000726658 [0,1,0,1,0,0|2,0,0]=4 18492 B14R2.4658 CC1(CCC1)NCCc2cccs2 2230a_100000692455_100000748579 [0,1,0,1,0,0|1,1,0]=4 18493 B14R2.4658 CC1(CCC1)NCCc2cccs2 34a_100000692455_100000748579 [0,1,0,1,0,0|1,1,0]=4 18494 B14R2.4658 CC1(CCC1)OCCc2cccs2 34a_100000759064_100000748579 [0,1,0,1,0,0|1,1,0]=4 18495 B14R2.4658 CC1(CCC1)OCCc2cccs2 7a_100000759064_100000748579 [0,1,0,1,0,0|1,1,0]=4 18496 B14R2.4658 CC1(COC1)CNCc2ccco2 207a_100020631278_100000186105 [0,1,0,1,0,0|2,0,0]=4 18497 B14R2.4658 CC1(COC1)CNCc2ccco2 2230a_100000185738_100000066812 [0,1,0,1,0,0|2,0,0]=4 18498 B14R2.4658 CC1(COC1)CNCc2ccco2 270004a_100020631278_100000186105 [0,1,0,1,0,0|2,0,0]=4 18499 B14R2.4658 CC1(COC1)CNCc2ccco2 34a_100000185738_100009817586 [0,1,0,1,0,0|2,0,0]=4 18500 B14R2.4658 CC1(COC1)COCc2ccco2 34a_100000210059_100009817586 [0,1,0,1,0,0|2,0,0]=4 18501 B14R2.4658 OC1(CCC1)CNCc2ccco2 207a_100000752638_100000186105 [0,1,0,1,0,0|1,0,0]=3 18502 B14R2.4658 OC1(CCC1)CNCc2ccco2 270004a_100000752638_100000186105 [0,1,0,1,0,0|1,0,0]=3 18503 B14R2.4658 OC1(CCC1)CNCc2cccs2 207a_100000752638_100000209959 [0,1,0,1,0,0|1,1,0]=4 18504 B14R2.4658 OC1(CCC1)CNCc2cccs2 270004a_100000752638_100000209959 [0,1,0,1,0,0|1,1,0]=4 18505 B14R2.4658 OC1(CCC1)CNCc2cnco2 270004a_100000752638_100000064291 [0,1,0,1,0,0|2,0,0]=4 18506 B14R2.4658 OC1(CCC1)CNCc2ncco2 2230a_100000752638_103436540062 [0,1,0,1,0,0|2,0,0]=4 18507 B14R2.4658 OC1(CCC1)CNCc2ncco2 270004a_100000752638_100000064290 [0,1,0,1,0,0|2,0,0]=4 18508 B14R2.4658 OC1(COC1)CNCc2ccco2 207a_100010264505_100000186105 [0,1,0,1,0,0|2,0,0]=4 18509 B14R2.4658 OC1(COC1)CNCc2ccco2 270004a_100010264505_100000186105 [0,1,0,1,0,0|2,0,0]=4 18510 B14R2.9811 CCOC(=O)C1CC1c2ccco2 271570a_100010780539_100009814098 [0,1,0,1,0,0|1,0,1]=4 18511 B14R2.31850 CC(NCCc1ccco1)C2CC2 269862a_100000694680_100000210639 [0,1,0,1,0,0|1,0,0]=3 18512 B14R2.31850 CC(NCCc1ccco1)C2CO2 270004a_100000694680_100000031964 [0,1,0,1,0,0|2,0,0]=4 18513 B14R2.31850 CC(NCCc1cccs1)C2CC2 2230a_100000700016_100000748579 [0,1,0,1,0,0|1,1,0]=4 18514 B14R2.31850 CC(NCCc1cccs1)C2CC2 269862a_100000203755_100000210639 [0,1,0,1,0,0|1,1,0]=4 18515 B14R2.31850 CC(NCCc1cccs1)C2CC2 34a_100000700016_100000748579 [0,1,0,1,0,0|1,1,0]=4 18516 B14R2.31850 CC(OCCc1cccs1)C2CC2 34a_100000744524_100000748579 [0,1,0,1,0,0|1,1,0]=4 18517 B14R2.31850 CC(OCCc1cccs1)C2CC2 7a_100000744524_100000748579 [0,1,0,1,0,0|1,1,0]=4 18518 B14R2.31850 CN(CCCc1cccs1)C2CC2 2230a_100000226674_100010992444 [0,1,0,1,0,0|1,1,0]=4 18519 B14R2.31850 CN(CCCc1cccs1)C2CC2 269982a_100000226674_100010992444 [0,1,0,1,0,0|1,1,0]=4 18520 B14R2.31850 N[C@@H](COCc1ncco1)C2CC2 34a_100020623730_103436540062 [0,1,0,1,0,0|2,0,0]=4 18521 B14R2.31850 O=C(CCCc1cccs1)C2CC2 1458a_100000210395_100010992444 [0,1,0,1,0,0|0,1,1]=4 18522 B14R2.31850 O=C(CNCc1ccco1)C2CC2 2230a_100000185738_100000746382 [0,1,0,1,0,0|1,0,1]=4 18523 B14R2.31850 O=C(CNCc1ccco1)C2CC2 34a_100000185738_100000746382 [0,1,0,1,0,0|1,0,1]=4 18524 B14R2.31850 O=C(COCc1ccco1)C2CC2 34a_100000210059_100000746382 [0,1,0,1,0,0|1,0,1]=4 18525 B14R2.31850 O=C(NCCc1ccco1)C2CC2 11a_100000694680_100000210395 [0,1,0,1,0,0|1,0,1]=4 18526 B14R2.31850 O=C(NCCc1ccco1)C2CC2 1626a_100000694680_100000210395 [0,1,0,1,0,0|1,0,1]=4 18527 B14R2.31850 O=C(NCCc1ccco1)C2CC2 240690a_100000694680_100000210395 [0,1,0,1,0,0|1,0,1]=4 18528 B14R2.31850 O=C(NCCc1ccco1)C2CC2 527a_100000694680_100000210395 [0,1,0,1,0,0|1,0,1]=4 18529 B14R2.31850 OC(CNCc1ccco1)C2CC2 207a_100000751198_100000186105 [0,1,0,1,0,0|1,0,0]=3 18530 B14R2.31850 OC(CNCc1ccco1)C2CC2 270004a_100000751198_100000186105 [0,1,0,1,0,0|1,0,0]=3 18531 B14R2.31850 OC(CNCc1cccs1)C2CC2 207a_100000751198_100000209959 [0,1,0,1,0,0|1,1,0]=4 18532 B14R2.31850 OC(CNCc1cccs1)C2CC2 270004a_100000751198_100000209959 [0,1,0,1,0,0|1,1,0]=4 18533 B14R2.31850 OC(CNCc1cnco1)C2CC2 270004a_100000751198_100000064291 [0,1,0,1,0,0|2,0,0]=4 18534 B14R2.31850 OC(CNCc1ncco1)C2CC2 2230a_100000751198_103436540062 [0,1,0,1,0,0|2,0,0]=4 18535 B14R2.31850 OC(CNCc1ncco1)C2CC2 270004a_100000751198_100000064290 [0,1,0,1,0,0|2,0,0]=4 18536 B14R2.31850 OC(CNCc1ncco1)C2CC2 34a_100000751198_103436540062 [0,1,0,1,0,0|2,0,0]=4 18537 B14R2.72 C=C1CCN(CC1)Cc2ccco2 270004a_100000752442_100000186105 [0,1,0,1,0,0|1,0,1]=4 18538 B14R2.72 CC1CCC(CC1)Sc2ccco2 62a_100009814098_200011216234 [0,1,0,1,0,0|1,0,0]=3 18539 B14R2.72 CC1CCC(CC1)Sc2cccs2 62a_100011215356_200011216234 [0,1,0,1,0,0|1,1,0]=4 18540 B14R2.72 CC1CCC(CC1)Sc2cnco2 62a_100020591547_200011216234 [0,1,0,1,0,0|2,0,0]=4 18541 B14R2.72 CC1CCC(CC1)Sc2ncco2 62a_100011787736_200011216234 [0,1,0,1,0,0|2,0,0]=4 18542 B14R2.72 CC1CCN(CC1)Cc2ccco2 270004a_100000188429_100000186105 [0,1,0,1,0,0|1,0,0]=3 18543 B14R2.72 CC1CCN(CC1)Cc2cccs2 270004a_100000188429_100000209959 [0,1,0,1,0,0|1,1,0]=4 18544 B14R2.72 CC1CCN(CC1)Cc2cnco2 270004a_100000188429_100000064291 [0,1,0,1,0,0|2,0,0]=4 18545 B14R2.72 CC1CCN(CC1)Cc2ncco2 2230a_100000188429_103436540062 [0,1,0,1,0,0|2,0,0]=4 18546 B14R2.72 CC1CCN(CC1)Cc2ncco2 269982a_100000188429_103436540062 [0,1,0,1,0,0|2,0,0]=4 18547 B14R2.72 CC1CCN(CC1)Cc2ncco2 270004a_100000188429_100000064290 [0,1,0,1,0,0|2,0,0]=4 18548 B14R2.72 CC1CCN(CC1)Cc2ncco2 34a_100000188429_103436540062 [0,1,0,1,0,0|2,0,0]=4 18549 B14R2.72 CN1CCC(CC1)Sc2ccco2 62a_100009814098_100011215917 [0,1,0,1,0,0|2,0,0]=4 18550 B14R2.72 CN1CCN(CC1)Cc2ccco2 2230a_100015187278_200000210301 [0,1,0,1,0,0|2,0,0]=4 18551 B14R2.72 CN1CCN(CC1)Cc2ccco2 269982a_100015187278_200000210301 [0,1,0,1,0,0|2,0,0]=4 18552 B14R2.72 CN1CCN(CC1)Cc2ccco2 270004a_100000188432_100000186105 [0,1,0,1,0,0|2,0,0]=4 18553 B14R2.72 FC1CCN(CC1)Cc2ccco2 270004a_100015193889_100000186105 [0,1,0,1,0,0|1,0,0]=3 18554 B14R2.72 FC1CCN(CC1)Cc2cccs2 270004a_100015193889_100000209959 [0,1,0,1,0,0|1,1,0]=4 18555 B14R2.72 FC1CCN(CC1)Cc2cnco2 270004a_100015193889_100000064291 [0,1,0,1,0,0|2,0,0]=4 18556 B14R2.72 FC1CCN(CC1)Cc2ncco2 2230a_100015193889_103436540062 [0,1,0,1,0,0|2,0,0]=4 18557 B14R2.72 FC1CCN(CC1)Cc2ncco2 269982a_100015193889_103436540062 [0,1,0,1,0,0|2,0,0]=4 18558 B14R2.72 FC1CCN(CC1)Cc2ncco2 270004a_100015193889_100000064290 [0,1,0,1,0,0|2,0,0]=4 18559 B14R2.72 FC1CCN(CC1)Cc2ncco2 34a_100015193889_103436540062 [0,1,0,1,0,0|2,0,0]=4 18560 B14R2.72 O=S1CCN(CC1)Cc2ccco2 270004a_100000752083_100000186105 [0,1,0,1,0,0|2,0,0]=4 18561 B14R2.72 OC1CCN(CC1)Cc2ccco2 270004a_100025773856_100000186105 [0,1,0,1,0,0|1,0,0]=3 18562 B14R2.72 OC1CCN(CC1)Cc2cccs2 270004a_100025773856_100000209959 [0,1,0,1,0,0|1,1,0]=4 18563 B14R2.72 OC1CCN(CC1)Cc2cnco2 270004a_100025773856_100000064291 [0,1,0,1,0,0|2,0,0]=4 18564 B14R2.72 OC1CCN(CC1)Cc2ncco2 2230a_100025773856_103436540062 [0,1,0,1,0,0|2,0,0]=4 18565 B14R2.72 OC1CCN(CC1)Cc2ncco2 269982a_100025773856_103436540062 [0,1,0,1,0,0|2,0,0]=4 18566 B14R2.72 OC1CCN(CC1)Cc2ncco2 270004a_100025773856_100000064290 [0,1,0,1,0,0|2,0,0]=4 18567 B14R2.72 [13CH3]N1CCN(CC1)Cc2ccco2 2230a_100015187278_200025704644 [0,1,0,1,0,0|2,0,0]=4 18568 B14R2.72 [13CH3]N1CCN(CC1)Cc2ccco2 269982a_100015187278_200025704644 [0,1,0,1,0,0|2,0,0]=4 18569 B14R2.659 C[C@H]1[C@H](CN1CCc2cccs2)O 2230a_206633788156_100000748579 [0,1,0,1,0,0|1,1,0]=4 18570 B14R2.659 C[C@H]1[C@H](CN1CCc2cccs2)O 269982a_206633788156_100000748579 [0,1,0,1,0,0|1,1,0]=4 18571 B14R2.4665 CC1(CC1)CNCCc2cccs2 2230a_100000766693_100000748579 [0,1,0,1,0,0|1,1,0]=4 18572 B14R2.4665 CC1(CC1)COCCc2cccs2 7a_100000698024_100000748579 [0,1,0,1,0,0|1,1,0]=4 18573 B14R2.4665 CC1(CC1)NCCCc2cccs2 2230a_100000757604_100010992444 [0,1,0,1,0,0|1,1,0]=4 18574 B14R2.4665 CC1(CC1)OCCCc2cccs2 7a_100011725673_100010992444 [0,1,0,1,0,0|1,1,0]=4 18575 B14R2.4665 CC1(CO1)CNCCc2ccco2 34a_100000694680_100000760498 [0,1,0,1,0,0|2,0,0]=4 18576 B14R2.4665 FC1(CC1)COCCc2cccs2 34a_200000703853_100000748579 [0,1,0,1,0,0|1,1,0]=4 18577 B14R2.4665 FC1(CC1)COCCc2cccs2 7a_200000703853_100000748579 [0,1,0,1,0,0|1,1,0]=4 18578 B14R2.4665 OC1(CC1)CNCCc2cccs2 2230a_100011936951_100000748579 [0,1,0,1,0,0|1,1,0]=4 18579 B14R2.10893 CCC(C)NC1CCc2c1ccs2 269862a_100000209981_100000011361 [0,1,0,1,0,0|1,1,0]=4 18580 B14R2.309 CC1SCCN1Cc2occc2Br 270004a_200011216479_100000756499 [0,1,0,1,0,0|2,0,0]=4 18581 B14R2.309 C[C@@H]1CCCN1Cc2cccn2C 270004a_100015189458_100000211633 [0,1,0,1,0,0|2,0,0]=4 18582 B14R2.309 C[C@@H]1CCCN1Cc2occc2Br 270004a_100015189458_100000756499 [0,1,0,1,0,0|1,0,0]=3 18583 B14R2.309 C[C@@H]1CCCN1Cc2sccc2Br 270004a_100015189458_100000766043 [0,1,0,1,0,0|1,1,0]=4 18584 B14R2.309 C[C@@H]1CCCN1Cc2sccc2Cl 270004a_100015189458_100000722334 [0,1,0,1,0,0|1,1,0]=4 18585 B14R2.309 C[C@H]1CCCN1Cc2cccn2C 270004a_100020605311_100000211633 [0,1,0,1,0,0|2,0,0]=4 18586 B14R2.309 C[C@H]1CCCN1Cc2occc2Br 270004a_100020605311_100000756499 [0,1,0,1,0,0|1,0,0]=3 18587 B14R2.309 C[C@H]1CCCN1Cc2sccc2Br 270004a_100020605311_100000766043 [0,1,0,1,0,0|1,1,0]=4 18588 B14R2.309 C[C@H]1CCCN1Cc2sccc2Cl 270004a_100020605311_100000722334 [0,1,0,1,0,0|1,1,0]=4 18589 B14R2.309 Cc1ccoc1CN2CCC[C@@H]2C 270004a_100020605311_100000763527 [0,1,0,1,0,0|1,0,0]=3 18590 B14R2.309 Cc1ccoc1CN2CCC[C@H]2C 270004a_100015189458_100000763527 [0,1,0,1,0,0|1,0,0]=3 18591 B14R2.309 Cc1ccoc1CN2CCSC2C 270004a_200011216479_100000763527 [0,1,0,1,0,0|2,0,0]=4 18592 B14R2.309 Cc1ccsc1CN2CCC[C@@H]2C 270004a_100020605311_100000210881 [0,1,0,1,0,0|1,1,0]=4 18593 B14R2.309 Cc1ccsc1CN2CCC[C@H]2C 270004a_100015189458_100000210881 [0,1,0,1,0,0|1,1,0]=4 18594 B14R2.4734 Brc1ccoc1CNCCC2CC2 270004a_100000764129_100000756499 [0,1,0,1,0,0|1,0,0]=3 18595 B14R2.4734 Brc1ccsc1CNCCC2CC2 207a_100000764129_100000766043 [0,1,0,1,0,0|1,1,0]=4 18596 B14R2.4734 Brc1ccsc1CNCCC2CC2 270004a_100000764129_100000766043 [0,1,0,1,0,0|1,1,0]=4 18597 B14R2.4734 Brc1ccsc1COCCC2CC2 34a_100000702026_100000694398 [0,1,0,1,0,0|1,1,0]=4 18598 B14R2.4734 Cc1ccoc1CNCCC2CC2 207a_100000764129_100000763527 [0,1,0,1,0,0|1,0,0]=3 18599 B14R2.4734 Cc1ccoc1CNCCC2CC2 270004a_100000764129_100000763527 [0,1,0,1,0,0|1,0,0]=3 18600 B14R2.4734 Cc1ccoc1COCCC2CC2 34a_100011273948_100000694398 [0,1,0,1,0,0|1,0,0]=3 18601 B14R2.4734 Cc1ccoc1COCCC2CC2 7a_100011273948_100000764125 [0,1,0,1,0,0|1,0,0]=3 18602 B14R2.4734 Cc1ccoc1COCCC2CO2 34a_100011273948_100000732470 [0,1,0,1,0,0|2,0,0]=4 18603 B14R2.4734 Cc1ccoc1COCCC2CO2 7a_100011273948_100000732470 [0,1,0,1,0,0|2,0,0]=4 18604 B14R2.4734 Cc1ccsc1CNCCC2CC2 207a_100000764129_100000210881 [0,1,0,1,0,0|1,1,0]=4 18605 B14R2.4734 Cc1ccsc1CNCCC2CC2 2230a_100000238519_100000694398 [0,1,0,1,0,0|1,1,0]=4 18606 B14R2.4734 Cc1ccsc1CNCCC2CC2 270004a_100000764129_100000210881 [0,1,0,1,0,0|1,1,0]=4 18607 B14R2.4734 Cc1ccsc1CNCCC2CC2 34a_100000238519_100000694398 [0,1,0,1,0,0|1,1,0]=4 18608 B14R2.4734 Cc1ccsc1COCCC2CC2 34a_100000238368_100000694398 [0,1,0,1,0,0|1,1,0]=4 18609 B14R2.4734 Cc1ccsc1COCCC2CC2 7a_100000238368_100000764125 [0,1,0,1,0,0|1,1,0]=4 18610 B14R2.4734 Cc1cnoc1COCCC2CC2 34a_200011065769_100000694398 [0,1,0,1,0,0|2,0,0]=4 18611 B14R2.4734 Cc1ncoc1COCCC2CC2 34a_100000717716_100000694398 [0,1,0,1,0,0|2,0,0]=4 18612 B14R2.4734 Cc1ncoc1COCCC2CC2 7a_100000717716_100000764125 [0,1,0,1,0,0|2,0,0]=4 18613 B14R2.4734 Clc1ccsc1CNCCC2CC2 207a_100000764129_100000722334 [0,1,0,1,0,0|1,1,0]=4 18614 B14R2.4734 Clc1ccsc1CNCCC2CC2 2230a_100011934584_100000694398 [0,1,0,1,0,0|1,1,0]=4 18615 B14R2.4734 Clc1ccsc1CNCCC2CC2 270004a_100000764129_100000722334 [0,1,0,1,0,0|1,1,0]=4 18616 B14R2.4734 Clc1ccsc1CNCCC2CC2 34a_100011934584_100000694398 [0,1,0,1,0,0|1,1,0]=4 18617 B14R2.4734 Clc1ccsc1COCCC2CC2 34a_100000722387_100000694398 [0,1,0,1,0,0|1,1,0]=4 18618 B14R2.4734 Clc1ccsc1COCCC2CC2 7a_100000722387_100000764125 [0,1,0,1,0,0|1,1,0]=4 18619 B14R2.4734 Cn1cccc1CCNCC2CC2 2230a_100011251756_100000742324 [0,1,0,1,0,0|2,0,0]=4 18620 B14R2.4734 Cn1cccc1CCNCC2CC2 269862a_100011251756_100000741477 [0,1,0,1,0,0|2,0,0]=4 18621 B14R2.4734 Cn1cccc1CCNCC2CC2 34a_100011251756_100000742324 [0,1,0,1,0,0|2,0,0]=4 18622 B14R2.4734 Cn1cccc1CNCCC2CC2 270004a_100000764129_100000211633 [0,1,0,1,0,0|2,0,0]=4 18623 B14R2.4734 Cn1cccc1CNCCC2CC2 34a_100011219357_100000694398 [0,1,0,1,0,0|2,0,0]=4 18624 B14R2.5216 Brc1ccoc1CNCC2CCC2 270004a_100000738700_100000756499 [0,1,0,1,0,0|1,0,0]=3 18625 B14R2.5216 Brc1ccoc1CNCC2COC2 270004a_100015281925_100000756499 [0,1,0,1,0,0|2,0,0]=4 18626 B14R2.5216 Brc1ccoc1CNC[C@@H]2CCO2 270004a_100020831831_100000756499 [0,1,0,1,0,0|2,0,0]=4 18627 B14R2.5216 Brc1ccsc1CNCC2CCC2 207a_100000738700_100000766043 [0,1,0,1,0,0|1,1,0]=4 18628 B14R2.5216 Brc1ccsc1CNCC2CCC2 270004a_100000738700_100000766043 [0,1,0,1,0,0|1,1,0]=4 18629 B14R2.5216 Brc1ccsc1COCC2CCC2 34a_100000702026_100000763275 [0,1,0,1,0,0|1,1,0]=4 18630 B14R2.5216 Cc1ccoc1CNCC2CCC2 207a_100000738700_100000763527 [0,1,0,1,0,0|1,0,0]=3 18631 B14R2.5216 Cc1ccoc1CNCC2CCC2 270004a_100000738700_100000763527 [0,1,0,1,0,0|1,0,0]=3 18632 B14R2.5216 Cc1ccoc1CNCC2COC2 207a_100015281925_100000763527 [0,1,0,1,0,0|2,0,0]=4 18633 B14R2.5216 Cc1ccoc1CNCC2COC2 270004a_100015281925_100000763527 [0,1,0,1,0,0|2,0,0]=4 18634 B14R2.5216 Cc1ccoc1CNC[C@@H]2CCO2 207a_100020831831_100000763527 [0,1,0,1,0,0|2,0,0]=4 18635 B14R2.5216 Cc1ccoc1CNC[C@@H]2CCO2 270004a_100020831831_100000763527 [0,1,0,1,0,0|2,0,0]=4 18636 B14R2.5216 Cc1ccoc1COCC2CCC2 34a_100011273948_100000763275 [0,1,0,1,0,0|1,0,0]=3 18637 B14R2.5216 Cc1ccoc1COCC2CCC2 7a_100011273948_100000763275 [0,1,0,1,0,0|1,0,0]=3 18638 B14R2.5216 Cc1ccoc1COCC2CCO2 34a_100011273948_100000103362 [0,1,0,1,0,0|2,0,0]=4 18639 B14R2.5216 Cc1ccoc1COCC2CCO2 7a_100011273948_100000103362 [0,1,0,1,0,0|2,0,0]=4 18640 B14R2.5216 Cc1ccoc1COCC2COC2 34a_100011273948_100010264016 [0,1,0,1,0,0|2,0,0]=4 18641 B14R2.5216 Cc1ccoc1COCC2COC2 7a_100011273948_100010264016 [0,1,0,1,0,0|2,0,0]=4 18642 B14R2.5216 Cc1ccsc1CNCC2CCC2 207a_100000738700_100000210881 [0,1,0,1,0,0|1,1,0]=4 18643 B14R2.5216 Cc1ccsc1CNCC2CCC2 2230a_100000238519_100000763275 [0,1,0,1,0,0|1,1,0]=4 18644 B14R2.5216 Cc1ccsc1CNCC2CCC2 269862a_100000238519_100000753134 [0,1,0,1,0,0|1,1,0]=4 18645 B14R2.5216 Cc1ccsc1CNCC2CCC2 270004a_100000738700_100000210881 [0,1,0,1,0,0|1,1,0]=4 18646 B14R2.5216 Cc1ccsc1CNCC2CCC2 34a_100000238519_100000763275 [0,1,0,1,0,0|1,1,0]=4 18647 B14R2.5216 Cc1ccsc1COCC2CCC2 34a_100000238368_100000763275 [0,1,0,1,0,0|1,1,0]=4 18648 B14R2.5216 Cc1ccsc1COCC2CCC2 7a_100000238368_100000763275 [0,1,0,1,0,0|1,1,0]=4 18649 B14R2.5216 Cc1cnoc1COCC2CCC2 34a_200011065769_100000763275 [0,1,0,1,0,0|2,0,0]=4 18650 B14R2.5216 Cc1ncoc1COCC2CCC2 34a_100000717716_100000763275 [0,1,0,1,0,0|2,0,0]=4 18651 B14R2.5216 Cc1ncoc1COCC2CCC2 7a_100000717716_100000763275 [0,1,0,1,0,0|2,0,0]=4 18652 B14R2.5216 Clc1ccsc1CNCC2CCC2 207a_100000738700_100000722334 [0,1,0,1,0,0|1,1,0]=4 18653 B14R2.5216 Clc1ccsc1CNCC2CCC2 2230a_100011934584_100000763275 [0,1,0,1,0,0|1,1,0]=4 18654 B14R2.5216 Clc1ccsc1CNCC2CCC2 269862a_100011934584_100000753134 [0,1,0,1,0,0|1,1,0]=4 18655 B14R2.5216 Clc1ccsc1CNCC2CCC2 270004a_100000738700_100000722334 [0,1,0,1,0,0|1,1,0]=4 18656 B14R2.5216 Clc1ccsc1CNCC2CCC2 34a_100011934584_100000763275 [0,1,0,1,0,0|1,1,0]=4 18657 B14R2.5216 Clc1ccsc1COCC2CCC2 34a_100000722387_100000763275 [0,1,0,1,0,0|1,1,0]=4 18658 B14R2.5216 Clc1ccsc1COCC2CCC2 7a_100000722387_100000763275 [0,1,0,1,0,0|1,1,0]=4 18659 B14R2.5216 Cn1cccc1CCNC2CCC2 34a_100011251756_100000749161 [0,1,0,1,0,0|2,0,0]=4 18660 B14R2.5216 Cn1cccc1CNCC2CCC2 270004a_100000738700_100000211633 [0,1,0,1,0,0|2,0,0]=4 18661 B14R2.5216 Cn1cccc1CNCC2CCC2 34a_100011219357_100000763275 [0,1,0,1,0,0|2,0,0]=4 18662 B14R3.36 c1coc(c1)CN2CC3CC3C2 270004a_100000741873_100000186105 [0,0,0,2,0,0|1,0,0]=3 18663 B14R3.36 c1coc(n1)CN2CC3CC3C2 2230a_100000741873_103436540062 [0,0,0,2,0,0|2,0,0]=4 18664 B14R3.36 c1coc(n1)CN2CC3CC3C2 269982a_100000741873_103436540062 [0,0,0,2,0,0|2,0,0]=4 18665 B14R3.36 c1coc(n1)CN2CC3CC3C2 270004a_100000741873_100000064290 [0,0,0,2,0,0|2,0,0]=4 18666 B14R3.36 c1coc(n1)CN2CC3CC3C2 34a_100000741873_103436540062 [0,0,0,2,0,0|2,0,0]=4 18667 B14R3.36 c1csc(c1)CN2CC3CC3C2 270004a_100000741873_100000209959 [0,0,0,2,0,0|1,1,0]=4 18668 B14R3.36 c1ncc(o1)CN2CC3CC3C2 270004a_100000741873_100000064291 [0,0,0,2,0,0|2,0,0]=4