0 B13R1.536 CCC(=O)CCCCc1cccs1 1458a_100011216592_100000210202 [0,0,0,0,0,0|2,1,0]=3 1 B13R1.536 CCC(=O)COCCc1cccs1 34a_100000725409_100000748579 [0,0,0,0,0,0|3,1,0]=4 2 B13R1.536 CCC(=O)COCCc1cccs1 7a_100011216825_100000747405 [0,0,0,0,0,0|3,1,0]=4 3 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000747405_100000748579 [0,0,0,0,0,0|3,1,0]=4 4 B13R1.536 CCC(=O)CSCCc1cccs1 62a_100000748579_100000747405 [0,0,0,0,0,0|3,1,0]=4 5 B13R1.536 CCC(C)CCNCc1ccco1 207a_100020591266_100000186105 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.536 CCC(C)CCNCc1ccco1 270004a_100020591266_100000186105 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.536 CNC(=O)CCCCc1cccs1 11a_106832991635_100011216592 [0,0,0,0,0,0|2,1,0]=3 8 B13R1.536 CNC(=O)CCCCc1cccs1 1626a_100102657272_100011216592 [0,0,0,0,0,0|2,1,0]=3 9 B13R1.536 CNC(=O)CCCCc1cccs1 240690a_100102657272_100011216592 [0,0,0,0,0,0|2,1,0]=3 10 B13R1.536 CNC(=O)CCCCc1cccs1 527a_100102657272_100011216592 [0,0,0,0,0,0|2,1,0]=3 11 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100000741757_100009814098 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.536 CNC(=O)CCCSc1ccco1 62a_100009814098_100000741757 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.536 CNC(=O)CCCSc1cccs1 62a_100000741757_100011215356 [0,0,0,0,0,0|3,1,0]=4 14 B13R1.536 CNC(=O)CCCSc1cccs1 62a_100011215356_100000741757 [0,0,0,0,0,0|3,1,0]=4 15 B13R1.536 CNC(=O)CCCSc1cnco1 62a_100000741757_100020591547 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.536 CNC(=O)CCCSc1cnco1 62a_100020591547_100000741757 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.536 CNC(=O)CCCSc1ncco1 62a_100000741757_100011787736 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.536 CNC(=O)CCCSc1ncco1 62a_100011787736_100000741757 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.536 CNC(=O)CCNCc1c[nH]cn1 2230a_100000738227_100000707719 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.536 CNC(=O)CCNCc1c[nH]cn1 34a_100000738227_100000707719 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.536 CNC(=O)CCNCc1cc[nH]n1 207a_100000738227_100000738523 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.536 CNC(=O)CCNCc1cc[nH]n1 270004a_100000738227_100000738523 [0,0,0,0,0,0|4,0,0]=4 23 B13R1.536 CNC(=O)CCNCc1ccco1 207a_100000738227_100000186105 [0,0,0,0,0,0|2,0,0]=2 24 B13R1.536 CNC(=O)CCNCc1ccco1 2230a_100000185738_100000737683 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.536 CNC(=O)CCNCc1ccco1 270004a_100000738227_100000186105 [0,0,0,0,0,0|2,0,0]=2 26 B13R1.536 CNC(=O)CCNCc1ccco1 34a_100000185738_100012179268 [0,0,0,0,0,0|2,0,0]=2 27 B13R1.536 CNC(=O)CCNCc1cccs1 207a_100000738227_100000209959 [0,0,0,0,0,0|2,1,0]=3 28 B13R1.536 CNC(=O)CCNCc1cccs1 2230a_100000211653_100000737683 [0,0,0,0,0,0|2,1,0]=3 29 B13R1.536 CNC(=O)CCNCc1cccs1 270004a_100000738227_100000209959 [0,0,0,0,0,0|2,1,0]=3 30 B13R1.536 CNC(=O)CCNCc1ccn[nH]1 2230a_100000738227_100000728653 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.536 CNC(=O)CCNCc1ccn[nH]1 34a_100000738227_100000728653 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.536 CNC(=O)CCNCc1ccoc1 207a_100000738227_100011215517 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.536 CNC(=O)CCNCc1ccoc1 2230a_100015206860_100000737683 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.536 CNC(=O)CCNCc1ccoc1 270004a_100000738227_100011215517 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.536 CNC(=O)CCNCc1ccoc1 34a_100015206860_100012179268 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.536 CNC(=O)CCNCc1ccon1 2230a_100000738227_100000234950 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.536 CNC(=O)CCNCc1ccon1 34a_100000738227_100000234950 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.536 CNC(=O)CCNCc1ccsc1 207a_100000738227_100000188534 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.536 CNC(=O)CCNCc1ccsc1 2230a_100000186416_100000737683 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.536 CNC(=O)CCNCc1ccsc1 2230a_100000738227_100011261437 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.536 CNC(=O)CCNCc1ccsc1 270004a_100000738227_100000188534 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.536 CNC(=O)CCNCc1ccsc1 34a_100000186416_100012179268 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.536 CNC(=O)CCNCc1ccsc1 34a_100000738227_100011261437 [0,0,0,0,0,0|4,0,0]=4 44 B13R1.536 CNC(=O)CCNCc1cnc[nH]1 207a_100000738227_100000742939 [0,0,0,0,0,0|4,0,0]=4 45 B13R1.536 CNC(=O)CCNCc1cnco1 270004a_100000738227_100000064291 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.536 CNC(=O)CCNCc1cncs1 207a_100000738227_100000749870 [0,0,0,0,0,0|3,1,0]=4 47 B13R1.536 CNC(=O)CCNCc1cncs1 2230a_100000738227_100015185245 [0,0,0,0,0,0|3,1,0]=4 48 B13R1.536 CNC(=O)CCNCc1cncs1 2230a_100016987365_100000737683 [0,0,0,0,0,0|3,1,0]=4 49 B13R1.536 CNC(=O)CCNCc1cncs1 270004a_100000738227_100000749870 [0,0,0,0,0,0|3,1,0]=4 50 B13R1.536 CNC(=O)CCNCc1cncs1 34a_100000738227_100015185245 [0,0,0,0,0,0|3,1,0]=4 51 B13R1.536 CNC(=O)CCNCc1cocn1 270004a_100000738227_100000050382 [0,0,0,0,0,0|4,0,0]=4 52 B13R1.536 CNC(=O)CCNCc1cscn1 207a_100000738227_100000743575 [0,0,0,0,0,0|4,0,0]=4 53 B13R1.536 CNC(=O)CCNCc1cscn1 2230a_100000738227_100000205941 [0,0,0,0,0,0|4,0,0]=4 54 B13R1.536 CNC(=O)CCNCc1cscn1 2230a_100015185402_100000737683 [0,0,0,0,0,0|4,0,0]=4 55 B13R1.536 CNC(=O)CCNCc1cscn1 270004a_100000738227_100000743575 [0,0,0,0,0,0|4,0,0]=4 56 B13R1.536 CNC(=O)CCNCc1cscn1 34a_100000738227_100000205941 [0,0,0,0,0,0|4,0,0]=4 57 B13R1.536 CNC(=O)CCNCc1ncc[nH]1 207a_100000738227_100000743867 [0,0,0,0,0,0|4,0,0]=4 58 B13R1.536 CNC(=O)CCNCc1ncc[nH]1 2230a_100000738227_100016991755 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.536 CNC(=O)CCNCc1ncc[nH]1 34a_100000738227_100016991755 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.536 CNC(=O)CCNCc1ncco1 2230a_100000738227_103436540062 [0,0,0,0,0,0|3,0,0]=3 61 B13R1.536 CNC(=O)CCNCc1ncco1 2230a_100016994969_100000737683 [0,0,0,0,0,0|3,0,0]=3 62 B13R1.536 CNC(=O)CCNCc1ncco1 270004a_100000738227_100000064290 [0,0,0,0,0,0|3,0,0]=3 63 B13R1.536 CNC(=O)CCNCc1ncco1 34a_100000738227_103436540062 [0,0,0,0,0,0|3,0,0]=3 64 B13R1.536 CNC(=O)CCNCc1nccs1 207a_100000738227_100000750902 [0,0,0,0,0,0|3,1,0]=4 65 B13R1.536 CNC(=O)CCNCc1nccs1 2230a_100000738227_100015184050 [0,0,0,0,0,0|3,1,0]=4 66 B13R1.536 CNC(=O)CCNCc1nccs1 2230a_100000740555_100000737683 [0,0,0,0,0,0|3,1,0]=4 67 B13R1.536 CNC(=O)CCNCc1nccs1 270004a_100000738227_100000750902 [0,0,0,0,0,0|3,1,0]=4 68 B13R1.536 CNC(=O)CCNCc1nccs1 34a_100000738227_100015184050 [0,0,0,0,0,0|3,1,0]=4 69 B13R1.536 CNC(=O)CCOCc1c[nH]cn1 34a_100000754576_100000707719 [0,0,0,0,0,0|3,1,0]=4 70 B13R1.536 CNC(=O)CCOCc1ccco1 34a_100000210059_100012179268 [0,0,0,0,0,0|1,1,0]=2 71 B13R1.536 CNC(=O)CCOCc1cccs1 34a_100000211240_100012179268 [0,0,0,0,0,0|1,2,0]=3 72 B13R1.536 CNC(=O)CCOCc1ccn[nH]1 34a_100000754576_100000728653 [0,0,0,0,0,0|3,1,0]=4 73 B13R1.536 CNC(=O)CCOCc1ccno1 34a_100000740478_100012179268 [0,0,0,0,0,0|2,1,0]=3 74 B13R1.536 CNC(=O)CCOCc1ccoc1 34a_100011215357_100012179268 [0,0,0,0,0,0|3,1,0]=4 75 B13R1.536 CNC(=O)CCOCc1ccon1 34a_100000754576_100000234950 [0,0,0,0,0,0|3,1,0]=4 76 B13R1.536 CNC(=O)CCOCc1ccsc1 34a_100000754576_100011261437 [0,0,0,0,0,0|3,1,0]=4 77 B13R1.536 CNC(=O)CCOCc1ccsc1 34a_100011215551_100012179268 [0,0,0,0,0,0|3,1,0]=4 78 B13R1.536 CNC(=O)CCOCc1cncs1 34a_100000754576_100015185245 [0,0,0,0,0,0|2,2,0]=4 79 B13R1.536 CNC(=O)CCOCc1cscn1 34a_100000754576_100000205941 [0,0,0,0,0,0|3,1,0]=4 80 B13R1.536 CNC(=O)CCOCc1ncc[nH]1 34a_100000754576_100016991755 [0,0,0,0,0,0|3,1,0]=4 81 B13R1.536 CNC(=O)CCOCc1ncco1 34a_100000062594_100012179268 [0,0,0,0,0,0|2,1,0]=3 82 B13R1.536 CNC(=O)CCOCc1ncco1 34a_100000754576_103436540062 [0,0,0,0,0,0|2,1,0]=3 83 B13R1.536 CNC(=O)CCOCc1nccs1 34a_100000754576_100015184050 [0,0,0,0,0,0|2,2,0]=4 84 B13R1.536 CNC(=O)CCOCn1cccn1 34a_100000731028_100012179268 [0,0,0,0,0,0|3,1,0]=4 85 B13R1.536 CNC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000737683 [0,0,0,0,0,0|3,0,0]=3 86 B13R1.536 CNC(=O)CCSCc1c[nH]cn1 62a_100000737683_100000707719 [0,0,0,0,0,0|3,0,0]=3 87 B13R1.536 CNC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000737683 [0,0,0,0,0,0|3,0,0]=3 88 B13R1.536 CNC(=O)CCSCc1ccn[nH]1 62a_100000737683_100000728653 [0,0,0,0,0,0|3,0,0]=3 89 B13R1.536 CNC(=O)CCSCc1ccon1 62a_100000234950_100000737683 [0,0,0,0,0,0|3,0,0]=3 90 B13R1.536 CNC(=O)CCSCc1ccon1 62a_100000737683_100000234950 [0,0,0,0,0,0|3,0,0]=3 91 B13R1.536 CNC(=O)CCSCc1ccsc1 62a_100000737683_100011233845 [0,0,0,0,0,0|3,0,0]=3 92 B13R1.536 CNC(=O)CCSCc1ccsc1 62a_100011261437_100000737683 [0,0,0,0,0,0|3,0,0]=3 93 B13R1.536 CNC(=O)CCSCc1cncs1 62a_100000737683_100015185245 [0,0,0,0,0,0|2,1,0]=3 94 B13R1.536 CNC(=O)CCSCc1cncs1 62a_100015185245_100000737683 [0,0,0,0,0,0|2,1,0]=3 95 B13R1.536 CNC(=O)CCSCc1cscn1 62a_100000205941_100000737683 [0,0,0,0,0,0|3,0,0]=3 96 B13R1.536 CNC(=O)CCSCc1cscn1 62a_100000737683_100000205941 [0,0,0,0,0,0|3,0,0]=3 97 B13R1.536 CNC(=O)CCSCc1ncc[nH]1 62a_100000737683_100016991755 [0,0,0,0,0,0|3,0,0]=3 98 B13R1.536 CNC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000737683 [0,0,0,0,0,0|3,0,0]=3 99 B13R1.536 CNC(=O)CCSCc1ncco1 62a_100000737683_103436540062 [0,0,0,0,0,0|2,0,0]=2 100 B13R1.536 CNC(=O)CCSCc1ncco1 62a_103436540062_100000737683 [0,0,0,0,0,0|2,0,0]=2 101 B13R1.536 CNC(=O)CCSCc1nccs1 62a_100000737683_100015184050 [0,0,0,0,0,0|2,1,0]=3 102 B13R1.536 CNC(=O)CCSCc1nccs1 62a_100015184050_100000737683 [0,0,0,0,0,0|2,1,0]=3 103 B13R1.536 CNC(=O)CCSCc1ncon1 62a_100000233494_100000737683 [0,0,0,0,0,0|4,0,0]=4 104 B13R1.536 CNC(=O)CCSCc1ncon1 62a_100000737683_100000233494 [0,0,0,0,0,0|4,0,0]=4 105 B13R1.536 CNC(=O)CCSCn1cncn1 62a_100000737683_200020645497 [0,0,0,0,0,0|4,0,0]=4 106 B13R1.536 CNC(=O)CCSCn1cncn1 62a_200020645497_100000737683 [0,0,0,0,0,0|4,0,0]=4 107 B13R1.536 CNC(=O)CNCCc1ccco1 2230a_100000694680_100000183359 [0,0,0,0,0,0|3,0,0]=3 108 B13R1.536 CNC(=O)CNCCc1ccco1 34a_100000694680_100000183359 [0,0,0,0,0,0|3,0,0]=3 109 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000203755_100000183359 [0,0,0,0,0,0|3,1,0]=4 110 B13R1.536 CNC(=O)CNCCc1cccs1 2230a_100000693194_100000748579 [0,0,0,0,0,0|3,1,0]=4 111 B13R1.536 CNC(=O)CNCCc1cccs1 34a_100000203755_100000183359 [0,0,0,0,0,0|3,1,0]=4 112 B13R1.536 CNC(=O)COCCc1cccs1 34a_100000750040_100000748579 [0,0,0,0,0,0|3,1,0]=4 113 B13R1.536 CNC(=O)COCCc1cccs1 34a_100011216825_100000183359 [0,0,0,0,0,0|3,1,0]=4 114 B13R1.536 CNC(=O)COCCc1cccs1 7a_100011216825_100000183359 [0,0,0,0,0,0|3,1,0]=4 115 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000183359_100000748579 [0,0,0,0,0,0|3,1,0]=4 116 B13R1.536 CNC(=O)CSCCc1cccs1 62a_100000748579_100000183359 [0,0,0,0,0,0|3,1,0]=4 117 B13R1.536 CNC(=O)OCCSc1ccco1 62a_100009814098_200011997002 [0,0,0,0,0,0|4,0,0]=4 118 B13R1.536 CNC(=O)OCCSc1ccco1 62a_200011997002_100009814098 [0,0,0,0,0,0|4,0,0]=4 119 B13R1.536 COC(=O)/C=C/CSc1ccco1 62a_100000742655_100009814098 [0,0,0,0,0,0|2,0,2]=4 120 B13R1.536 COC(=O)/C=C/CSc1ccco1 62a_100009814098_100000742655 [0,0,0,0,0,0|2,0,2]=4 121 B13R1.536 COC(=O)CCCCN1CC=CC1 269982a_100015195280_100000204269 [0,0,0,0,0,0|3,0,1]=4 122 B13R1.536 COC(=O)CCCOc1ccsc1 34a_100000106738_100000742333 [0,0,0,0,0,0|4,0,0]=4 123 B13R1.536 COC(=O)CCCOc1ccsc1 7a_100000106738_100011218270 [0,0,0,0,0,0|4,0,0]=4 124 B13R1.536 COC(=O)CCCSc1c[nH]cn1 62a_100000756875_100011218270 [0,0,0,0,0,0|4,0,0]=4 125 B13R1.536 COC(=O)CCCSc1c[nH]cn1 62a_100011218270_100000756875 [0,0,0,0,0,0|4,0,0]=4 126 B13R1.536 COC(=O)CCCSc1cc[nH]n1 62a_100000062575_100011218270 [0,0,0,0,0,0|4,0,0]=4 127 B13R1.536 COC(=O)CCCSc1cc[nH]n1 62a_100011218270_100000062575 [0,0,0,0,0,0|4,0,0]=4 128 B13R1.536 COC(=O)CCCSc1ccco1 62a_100009814098_100011218270 [0,0,0,0,0,0|2,0,0]=2 129 B13R1.536 COC(=O)CCCSc1ccco1 62a_100011218270_100009814098 [0,0,0,0,0,0|2,0,0]=2 130 B13R1.536 COC(=O)CCCSc1cccs1 62a_100011215356_100011218270 [0,0,0,0,0,0|2,1,0]=3 131 B13R1.536 COC(=O)CCCSc1cccs1 62a_100011218270_100011215356 [0,0,0,0,0,0|2,1,0]=3 132 B13R1.536 COC(=O)CCCSc1ccoc1 62a_100011215275_100011218270 [0,0,0,0,0,0|4,0,0]=4 133 B13R1.536 COC(=O)CCCSc1ccoc1 62a_100011218270_100011215275 [0,0,0,0,0,0|4,0,0]=4 134 B13R1.536 COC(=O)CCCSc1ccon1 62a_100009818083_100011218270 [0,0,0,0,0,0|4,0,0]=4 135 B13R1.536 COC(=O)CCCSc1ccon1 62a_100011218270_100009818083 [0,0,0,0,0,0|4,0,0]=4 136 B13R1.536 COC(=O)CCCSc1ccsc1 62a_100000738268_100011218270 [0,0,0,0,0,0|4,0,0]=4 137 B13R1.536 COC(=O)CCCSc1ccsc1 62a_100011218270_100000738268 [0,0,0,0,0,0|4,0,0]=4 138 B13R1.536 COC(=O)CCCSc1ccsn1 62a_100009818082_100011218270 [0,0,0,0,0,0|4,0,0]=4 139 B13R1.536 COC(=O)CCCSc1ccsn1 62a_100011218270_100009818082 [0,0,0,0,0,0|4,0,0]=4 140 B13R1.536 COC(=O)CCCSc1cnco1 62a_100011218270_100020591547 [0,0,0,0,0,0|3,0,0]=3 141 B13R1.536 COC(=O)CCCSc1cnco1 62a_100020591547_100011218270 [0,0,0,0,0,0|3,0,0]=3 142 B13R1.536 COC(=O)CCCSc1cncs1 62a_100011218270_100011934649 [0,0,0,0,0,0|3,1,0]=4 143 B13R1.536 COC(=O)CCCSc1cncs1 62a_100011934649_100011218270 [0,0,0,0,0,0|3,1,0]=4 144 B13R1.536 COC(=O)CCCSc1cscn1 62a_100000751502_100011218270 [0,0,0,0,0,0|4,0,0]=4 145 B13R1.536 COC(=O)CCCSc1cscn1 62a_100011218270_100000751502 [0,0,0,0,0,0|4,0,0]=4 146 B13R1.536 COC(=O)CCCSc1ncc[nH]1 62a_100011218270_100025796157 [0,0,0,0,0,0|4,0,0]=4 147 B13R1.536 COC(=O)CCCSc1ncc[nH]1 62a_100025796157_100011218270 [0,0,0,0,0,0|4,0,0]=4 148 B13R1.536 COC(=O)CCCSc1ncco1 62a_100011218270_100011787736 [0,0,0,0,0,0|3,0,0]=3 149 B13R1.536 COC(=O)CCCSc1ncco1 62a_100011787736_100011218270 [0,0,0,0,0,0|3,0,0]=3 150 B13R1.536 COC(=O)CCCSc1nccs1 62a_100000211983_100011218270 [0,0,0,0,0,0|3,1,0]=4 151 B13R1.536 COC(=O)CCCSc1nccs1 62a_100011218270_100000211983 [0,0,0,0,0,0|3,1,0]=4 152 B13R1.536 COC(=O)CCNCc1ccco1 2230a_100000185738_100000204255 [0,0,0,0,0,0|1,0,0]=1 153 B13R1.536 COC(=O)CCNCc1ccco1 34a_100000185738_100000742370 [0,0,0,0,0,0|1,0,0]=1 154 B13R1.536 COC(=O)CCNCc1cccs1 2230a_100000211653_100000204255 [0,0,0,0,0,0|1,1,0]=2 155 B13R1.536 COC(=O)CCNCc1ccoc1 2230a_100015206860_100000204255 [0,0,0,0,0,0|3,0,0]=3 156 B13R1.536 COC(=O)CCNCc1ccoc1 34a_100015206860_100000742370 [0,0,0,0,0,0|3,0,0]=3 157 B13R1.536 COC(=O)CCNCc1ccsc1 2230a_100000186416_100000204255 [0,0,0,0,0,0|3,0,0]=3 158 B13R1.536 COC(=O)CCNCc1ccsc1 34a_100000186416_100000742370 [0,0,0,0,0,0|3,0,0]=3 159 B13R1.536 COC(=O)CCNCc1cncs1 2230a_100016987365_100000204255 [0,0,0,0,0,0|2,1,0]=3 160 B13R1.536 COC(=O)CCNCc1cscn1 2230a_100015185402_100000204255 [0,0,0,0,0,0|3,0,0]=3 161 B13R1.536 COC(=O)CCNCc1ncco1 2230a_100016994969_100000204255 [0,0,0,0,0,0|2,0,0]=2 162 B13R1.536 COC(=O)CCNCc1nccs1 2230a_100000740555_100000204255 [0,0,0,0,0,0|2,1,0]=3 163 B13R1.536 COC(=O)CCNCc1nnc[nH]1 2230a_200015183720_100000204255 [0,0,0,0,0,0|4,0,0]=4 164 B13R1.536 COC(=O)CCOCC1CC=CC1 34a_100000688395_100000742370 [0,0,0,0,0,0|1,1,2]=4 165 B13R1.536 COC(=O)CCOCc1ccco1 34a_100000210059_100000742370 [0,0,0,0,0,0|0,1,0]=1 166 B13R1.536 COC(=O)CCOCc1cccs1 34a_100000211240_100000742370 [0,0,0,0,0,0|0,2,0]=2 167 B13R1.536 COC(=O)CCOCc1ccno1 34a_100000740478_100000742370 [0,0,0,0,0,0|1,1,0]=2 168 B13R1.536 COC(=O)CCOCc1ccoc1 34a_100011215357_100000742370 [0,0,0,0,0,0|2,1,0]=3 169 B13R1.536 COC(=O)CCOCc1ccsc1 34a_100011215551_100000742370 [0,0,0,0,0,0|2,1,0]=3 170 B13R1.536 COC(=O)CCOCc1ncco1 34a_100000062594_100000742370 [0,0,0,0,0,0|1,1,0]=2 171 B13R1.536 COC(=O)CCOCn1cccn1 34a_100000731028_100000742370 [0,0,0,0,0,0|2,1,0]=3 172 B13R1.536 COC(=O)CCSCC1=NCCN1 62a_100000204255_100000737910 [0,0,0,0,0,0|2,0,2]=4 173 B13R1.536 COC(=O)CCSCC1=NCCN1 62a_100000737910_100000204255 [0,0,0,0,0,0|2,0,2]=4 174 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [0,0,0,0,0,0|0,0,4]=4 175 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [0,0,0,0,0,0|0,0,4]=4 176 B13R1.536 COC(=O)CCSCC1OCCO1 62a_100000204255_100000755774 [0,0,0,0,0,0|1,0,3]=4 177 B13R1.536 COC(=O)CCSCC1OCCO1 62a_100000755774_100000204255 [0,0,0,0,0,0|1,0,3]=4 178 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000204255_100000707719 [0,0,0,0,0,0|2,0,0]=2 179 B13R1.536 COC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000204255 [0,0,0,0,0,0|2,0,0]=2 180 B13R1.536 COC(=O)CCSCc1ccn[nH]1 62a_100000204255_100000728653 [0,0,0,0,0,0|2,0,0]=2 181 B13R1.536 COC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000204255 [0,0,0,0,0,0|2,0,0]=2 182 B13R1.536 COC(=O)CCSCc1ccon1 62a_100000204255_100000234950 [0,0,0,0,0,0|2,0,0]=2 183 B13R1.536 COC(=O)CCSCc1ccon1 62a_100000234950_100000204255 [0,0,0,0,0,0|2,0,0]=2 184 B13R1.536 COC(=O)CCSCc1ccsc1 62a_100000204255_100011233845 [0,0,0,0,0,0|2,0,0]=2 185 B13R1.536 COC(=O)CCSCc1ccsc1 62a_100011261437_100000204255 [0,0,0,0,0,0|2,0,0]=2 186 B13R1.536 COC(=O)CCSCc1cncs1 62a_100000204255_100015185245 [0,0,0,0,0,0|1,1,0]=2 187 B13R1.536 COC(=O)CCSCc1cncs1 62a_100015185245_100000204255 [0,0,0,0,0,0|1,1,0]=2 188 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000204255_100000205941 [0,0,0,0,0,0|2,0,0]=2 189 B13R1.536 COC(=O)CCSCc1cscn1 62a_100000205941_100000204255 [0,0,0,0,0,0|2,0,0]=2 190 B13R1.536 COC(=O)CCSCc1ncc[nH]1 62a_100000204255_100016991755 [0,0,0,0,0,0|2,0,0]=2 191 B13R1.536 COC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000204255 [0,0,0,0,0,0|2,0,0]=2 192 B13R1.536 COC(=O)CCSCc1ncco1 62a_100000204255_103436540062 [0,0,0,0,0,0|1,0,0]=1 193 B13R1.536 COC(=O)CCSCc1ncco1 62a_103436540062_100000204255 [0,0,0,0,0,0|1,0,0]=1 194 B13R1.536 COC(=O)CCSCc1nccs1 62a_100000204255_100015184050 [0,0,0,0,0,0|1,1,0]=2 195 B13R1.536 COC(=O)CCSCc1nccs1 62a_100015184050_100000204255 [0,0,0,0,0,0|1,1,0]=2 196 B13R1.536 COC(=O)CCSCc1ncon1 62a_100000204255_100000233494 [0,0,0,0,0,0|3,0,0]=3 197 B13R1.536 COC(=O)CCSCc1ncon1 62a_100000233494_100000204255 [0,0,0,0,0,0|3,0,0]=3 198 B13R1.536 COC(=O)CCSCc1nnn[nH]1 62a_100000204255_100000765167 [0,0,0,0,0,0|4,0,0]=4 199 B13R1.536 COC(=O)CCSCc1nnn[nH]1 62a_100000765167_100000204255 [0,0,0,0,0,0|4,0,0]=4 200 B13R1.536 COC(=O)CCSCn1cncn1 62a_100000204255_200020645497 [0,0,0,0,0,0|3,0,0]=3 201 B13R1.536 COC(=O)CCSCn1cncn1 62a_200020645497_100000204255 [0,0,0,0,0,0|3,0,0]=3 202 B13R1.536 COC(=O)CNCCc1ccco1 2230a_100000694680_100000747449 [0,0,0,0,0,0|2,0,0]=2 203 B13R1.536 COC(=O)CNCCc1ccco1 34a_100000694680_100000747449 [0,0,0,0,0,0|2,0,0]=2 204 B13R1.536 COC(=O)CNCCc1cccs1 2230a_100000203755_100000747449 [0,0,0,0,0,0|2,1,0]=3 205 B13R1.536 COC(=O)CNCCc1cccs1 34a_100000203755_100000747449 [0,0,0,0,0,0|2,1,0]=3 206 B13R1.536 COC(=O)CNCCc1ccsc1 2230a_100000692642_100000747449 [0,0,0,0,0,0|4,0,0]=4 207 B13R1.536 COC(=O)CNCCc1ccsc1 34a_100000692642_100000747449 [0,0,0,0,0,0|4,0,0]=4 208 B13R1.536 COC(=O)CNCCc1cncs1 2230a_100016991637_100000747449 [0,0,0,0,0,0|3,1,0]=4 209 B13R1.536 COC(=O)CNCCc1nccs1 2230a_100015186391_100000747449 [0,0,0,0,0,0|3,1,0]=4 210 B13R1.536 COC(=O)CNCCn1cccc1 34a_100011368172_100000747449 [0,0,0,0,0,0|4,0,0]=4 211 B13R1.536 COC(=O)CNCCn1cccn1 2230a_100011200920_100000747449 [0,0,0,0,0,0|4,0,0]=4 212 B13R1.536 COC(=O)COCCc1cccs1 34a_100011216825_100000747449 [0,0,0,0,0,0|2,1,0]=3 213 B13R1.536 COC(=O)COCCc1cccs1 7a_100011216825_100000747449 [0,0,0,0,0,0|2,1,0]=3 214 B13R1.536 COC(=O)COCCc1ccsc1 34a_100000748821_100000747449 [0,0,0,0,0,0|4,0,0]=4 215 B13R1.536 COC(=O)COCCc1ncc[nH]1 34a_103549771195_100000747449 [0,0,0,0,0,0|4,0,0]=4 216 B13R1.536 COC(=O)COCCn1cccc1 34a_100000179382_100000747449 [0,0,0,0,0,0|4,0,0]=4 217 B13R1.536 COC(=O)COCCn1cccn1 34a_100000743371_100000747449 [0,0,0,0,0,0|4,0,0]=4 218 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100000747449_100020628418 [0,0,0,0,0,0|4,0,0]=4 219 B13R1.536 COC(=O)CSCCc1c[nH]cn1 62a_100020628418_100000747449 [0,0,0,0,0,0|4,0,0]=4 220 B13R1.536 COC(=O)CSCCc1cccs1 62a_100000747449_100000748579 [0,0,0,0,0,0|2,1,0]=3 221 B13R1.536 COC(=O)CSCCc1cccs1 62a_100000748579_100000747449 [0,0,0,0,0,0|2,1,0]=3 222 B13R1.536 COC(=O)CSCCn1cccc1 62a_100000747449_200000035178 [0,0,0,0,0,0|4,0,0]=4 223 B13R1.536 COC(=O)CSCCn1cccc1 62a_200009811947_100000747449 [0,0,0,0,0,0|4,0,0]=4 224 B13R1.536 COC(=O)CSCCn1cccn1 62a_100000747449_100000685285 [0,0,0,0,0,0|4,0,0]=4 225 B13R1.536 COC(=O)CSCCn1cccn1 62a_100015204718_100000747449 [0,0,0,0,0,0|4,0,0]=4 226 B13R1.536 COC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000139417 [0,0,0,0,0,0|3,0,0]=3 227 B13R1.536 COC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000139417 [0,0,0,0,0,0|3,0,0]=3 228 B13R1.536 COC(=O)OCSCc1ccon1 62a_100000234950_100000139417 [0,0,0,0,0,0|3,0,0]=3 229 B13R1.536 COC(=O)OCSCc1ccsc1 62a_100011261437_100000139417 [0,0,0,0,0,0|3,0,0]=3 230 B13R1.536 COC(=O)OCSCc1cncs1 62a_100015185245_100000139417 [0,0,0,0,0,0|2,1,0]=3 231 B13R1.536 COC(=O)OCSCc1cscn1 62a_100000205941_100000139417 [0,0,0,0,0,0|3,0,0]=3 232 B13R1.536 COC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000139417 [0,0,0,0,0,0|3,0,0]=3 233 B13R1.536 COC(=O)OCSCc1ncco1 62a_103436540062_100000139417 [0,0,0,0,0,0|2,0,0]=2 234 B13R1.536 COC(=O)OCSCc1nccs1 62a_100015184050_100000139417 [0,0,0,0,0,0|2,1,0]=3 235 B13R1.536 COC(=O)OCSCc1ncon1 62a_100000233494_100000139417 [0,0,0,0,0,0|4,0,0]=4 236 B13R1.536 COC(=O)OCSCn1cncn1 62a_200020645497_100000139417 [0,0,0,0,0,0|4,0,0]=4 237 B13R1.536 COC(C)CCOCc1ncco1 7a_100000764861_103436540062 [0,0,0,0,0,0|2,1,1]=4 238 B13R1.536 O=C(CF)CCCCc1cccs1 1458a_100011216592_100015361967 [0,0,0,0,0,0|3,1,0]=4 239 B12R1.37 C/C=C/CCOCc1ncco1 34a_100016278192_103436540062 [1,0,0,0,0,0|2,1,0]=4 240 B12R1.37 C/C=C/CNCCc1ccco1 34a_100000694680_100102629194 [1,0,0,0,0,0|3,0,0]=4 241 B12R1.37 CC/C=C\CNCc1ccco1 2230a_100000185738_100103147603 [1,0,0,0,0,0|2,0,1]=4 242 B12R1.37 CC/C=C\CNCc1ccco1 34a_100000185738_100103147603 [1,0,0,0,0,0|2,0,1]=4 243 B12R1.37 CC/C=C\COCc1ccco1 34a_100000210059_100103147603 [1,0,0,0,0,0|1,1,1]=4 244 B12R1.37 CC/C=C\CSCc1ncco1 62a_100103147603_103436540062 [1,0,0,0,0,0|2,0,1]=4 245 B12R1.37 CC/C=C\CSCc1ncco1 62a_103436540062_100103147603 [1,0,0,0,0,0|2,0,1]=4 246 B12R1.37 CC=CCNCCc1ccco1 2230a_100000694680_100000070051 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.37 CC=CCNCCc1ccco1 34a_100000694680_100000070051 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [1,0,0,0,0,0|2,0,1]=4 249 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [1,0,0,0,0,0|2,0,1]=4 250 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [1,0,0,0,0,0|2,0,1]=4 252 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [1,0,0,0,0,0|1,1,1]=4 253 B12R1.37 CCCCCSCc1ncco1 62a_100000210326_103436540062 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.37 CCCCCSCc1ncco1 62a_103436540062_100000210326 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.37 CCNCCSCc1ccco1 2230a_100000184675_100000210202 [1,0,0,0,0,0|2,0,0]=3 256 B12R1.37 CCNCCSCc1ccco1 7a_100000184675_100000210202 [1,0,0,0,0,0|2,0,0]=3 257 B12R1.37 CCOCCNCc1ccco1 207a_100011200944_100000186105 [1,0,0,0,0,0|3,0,0]=4 258 B12R1.37 CCOCCNCc1ccco1 2230a_100000185738_100011215890 [1,0,0,0,0,0|3,0,0]=4 259 B12R1.37 CCOCCNCc1ccco1 270004a_102516460346_100000186105 [1,0,0,0,0,0|3,0,0]=4 260 B12R1.37 CCOCCNCc1ccco1 34a_100000185738_100000210147 [1,0,0,0,0,0|3,0,0]=4 261 B12R1.37 CCOCCOCc1ccco1 34a_100000210059_100000210147 [1,0,0,0,0,0|2,1,0]=4 262 B12R1.37 CCOCCSCc1ncco1 62a_100000210147_103436540062 [1,0,0,0,0,0|3,0,0]=4 263 B12R1.37 CCOCCSCc1ncco1 62a_103436540062_100011215890 [1,0,0,0,0,0|3,0,0]=4 264 B12R1.37 CCSCCNCc1ccco1 207a_100000106463_100000186105 [1,0,0,0,0,0|3,0,0]=4 265 B12R1.37 CCSCCNCc1ccco1 2230a_100000185738_100000757381 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.37 CCSCCNCc1ccco1 270004a_100000106463_100000186105 [1,0,0,0,0,0|3,0,0]=4 267 B12R1.37 CCSCCNCc1ccco1 34a_100000185738_100000757381 [1,0,0,0,0,0|3,0,0]=4 268 B12R1.37 CCSCCOCc1ccco1 34a_100000210059_100000757381 [1,0,0,0,0,0|2,1,0]=4 269 B12R1.37 CCSCCSCc1ncco1 62a_100000757381_103436540062 [1,0,0,0,0,0|3,0,0]=4 270 B12R1.37 CCSCCSCc1ncco1 62a_103436540062_100000757381 [1,0,0,0,0,0|3,0,0]=4 271 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [1,0,0,0,0,0|2,0,1]=4 272 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [1,0,0,0,0,0|2,0,1]=4 273 B12R1.37 COCCCNCc1ccco1 207a_100150723488_100000186105 [1,0,0,0,0,0|1,0,1]=3 274 B12R1.37 COCCCNCc1ccco1 2230a_100000185738_100000740836 [1,0,0,0,0,0|1,0,1]=3 275 B12R1.37 COCCCNCc1ccco1 270004a_100150723488_100000186105 [1,0,0,0,0,0|1,0,1]=3 276 B12R1.37 COCCCNCc1ccco1 34a_100000185738_100000740836 [1,0,0,0,0,0|1,0,1]=3 277 B12R1.37 COCCCNCc1cccs1 207a_100150723488_100000209959 [1,0,0,0,0,0|1,1,1]=4 278 B12R1.37 COCCCNCc1cccs1 2230a_100000211653_100000740836 [1,0,0,0,0,0|1,1,1]=4 279 B12R1.37 COCCCNCc1cccs1 270004a_100150723488_100000209959 [1,0,0,0,0,0|1,1,1]=4 280 B12R1.37 COCCCNCc1cccs1 34a_100015187169_200000210301 [1,0,0,0,0,0|1,1,1]=4 281 B12R1.37 COCCCNCc1cnco1 270004a_100150723488_100000064291 [1,0,0,0,0,0|2,0,1]=4 282 B12R1.37 COCCCNCc1ncco1 2230a_100016994969_100000740836 [1,0,0,0,0,0|2,0,1]=4 283 B12R1.37 COCCCNCc1ncco1 270004a_100150723488_100000064290 [1,0,0,0,0,0|2,0,1]=4 284 B12R1.37 COCCCNCc1ncco1 34a_100150723488_103436540062 [1,0,0,0,0,0|2,0,1]=4 285 B12R1.37 COCCCOCc1ccco1 34a_100000210059_100000740836 [1,0,0,0,0,0|0,1,1]=3 286 B12R1.37 COCCCOCc1cccs1 34a_100000211240_100000740836 [1,0,0,0,0,0|0,2,1]=4 287 B12R1.37 COCCCOCc1ccno1 34a_100000740478_100000740836 [1,0,0,0,0,0|1,1,1]=4 288 B12R1.37 COCCCOCc1ncco1 34a_100000062594_100000740836 [1,0,0,0,0,0|1,1,1]=4 289 B12R1.37 COCCCOCc1ncco1 34a_100000740835_103436540062 [1,0,0,0,0,0|1,1,1]=4 290 B12R1.37 COCCCSCc1c[nH]cn1 62a_100000707719_100000709357 [1,0,0,0,0,0|2,0,1]=4 291 B12R1.37 COCCCSCc1c[nH]cn1 62a_100000709357_100000707719 [1,0,0,0,0,0|2,0,1]=4 292 B12R1.37 COCCCSCc1ccn[nH]1 62a_100000709357_100000728653 [1,0,0,0,0,0|2,0,1]=4 293 B12R1.37 COCCCSCc1ccn[nH]1 62a_100000728653_100000709357 [1,0,0,0,0,0|2,0,1]=4 294 B12R1.37 COCCCSCc1ccon1 62a_100000234950_100000709357 [1,0,0,0,0,0|2,0,1]=4 295 B12R1.37 COCCCSCc1ccon1 62a_100000709357_100000234950 [1,0,0,0,0,0|2,0,1]=4 296 B12R1.37 COCCCSCc1ccsc1 62a_100000709357_100011233845 [1,0,0,0,0,0|2,0,1]=4 297 B12R1.37 COCCCSCc1ccsc1 62a_100011261437_100000709357 [1,0,0,0,0,0|2,0,1]=4 298 B12R1.37 COCCCSCc1cncs1 62a_100000709357_100015185245 [1,0,0,0,0,0|1,1,1]=4 299 B12R1.37 COCCCSCc1cncs1 62a_100015185245_100000709357 [1,0,0,0,0,0|1,1,1]=4 300 B12R1.37 COCCCSCc1cscn1 62a_100000205941_100000709357 [1,0,0,0,0,0|2,0,1]=4 301 B12R1.37 COCCCSCc1cscn1 62a_100000709357_100000205941 [1,0,0,0,0,0|2,0,1]=4 302 B12R1.37 COCCCSCc1ncc[nH]1 62a_100000709357_100016991755 [1,0,0,0,0,0|2,0,1]=4 303 B12R1.37 COCCCSCc1ncc[nH]1 62a_100016991755_100000709357 [1,0,0,0,0,0|2,0,1]=4 304 B12R1.37 COCCCSCc1ncco1 62a_100000709357_103436540062 [1,0,0,0,0,0|1,0,1]=3 305 B12R1.37 COCCCSCc1ncco1 62a_103436540062_100000709357 [1,0,0,0,0,0|1,0,1]=3 306 B12R1.37 COCCCSCc1nccs1 62a_100000709357_100015184050 [1,0,0,0,0,0|1,1,1]=4 307 B12R1.37 COCCCSCc1nccs1 62a_100015184050_100000709357 [1,0,0,0,0,0|1,1,1]=4 308 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [1,0,0,0,0,0|2,0,1]=4 309 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [1,0,0,0,0,0|2,0,1]=4 310 B12R1.37 CSCCCNCc1ccco1 207a_100000749238_100000186105 [1,0,0,0,0,0|1,1,1]=4 311 B12R1.37 CSCCCNCc1ccco1 270004a_100000749238_100000186105 [1,0,0,0,0,0|1,1,1]=4 312 B12R1.37 FCNCCSCc1ccco1 7a_100000184675_100015361967 [1,0,0,0,0,0|3,0,0]=4 313 B12R1.37 [13CH3]OCCCNCc1cccs1 34a_100015187169_200025704644 [1,0,0,0,0,0|1,1,1]=4 314 B12R1.255 C=C(C)CCNCc1ccco1 2230a_100000185738_100000730704 [1,0,0,0,0,0|2,0,0]=3 315 B12R1.255 C=C(C)CCNCc1ccco1 34a_100000185738_100000730704 [1,0,0,0,0,0|2,0,0]=3 316 B12R1.255 C=C(C)CCNCc1cccs1 2230a_100000211653_100000730704 [1,0,0,0,0,0|2,1,0]=4 317 B12R1.255 C=C(C)CCNCc1ncco1 2230a_100016994969_100000730704 [1,0,0,0,0,0|3,0,0]=4 318 B12R1.255 C=C(C)CCOCc1ccco1 34a_100000210059_100000730704 [1,0,0,0,0,0|1,1,0]=3 319 B12R1.255 C=C(C)CCOCc1cccs1 34a_100000211240_100000730704 [1,0,0,0,0,0|1,2,0]=4 320 B12R1.255 C=C(C)CCOCc1ccno1 34a_100000740478_100000730704 [1,0,0,0,0,0|2,1,0]=4 321 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000062594_100000730704 [1,0,0,0,0,0|2,1,0]=4 322 B12R1.255 C=C(C)CCOCc1ncco1 34a_100000764851_103436540062 [1,0,0,0,0,0|2,1,0]=4 323 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000707719_100000730704 [1,0,0,0,0,0|3,0,0]=4 324 B12R1.255 C=C(C)CCSCc1c[nH]cn1 62a_100000730704_100000707719 [1,0,0,0,0,0|3,0,0]=4 325 B12R1.255 C=C(C)CCSCc1ccn[nH]1 62a_100000728653_100000730704 [1,0,0,0,0,0|3,0,0]=4 326 B12R1.255 C=C(C)CCSCc1ccn[nH]1 62a_100000730704_100000728653 [1,0,0,0,0,0|3,0,0]=4 327 B12R1.255 C=C(C)CCSCc1ccon1 62a_100000234950_100000730704 [1,0,0,0,0,0|3,0,0]=4 328 B12R1.255 C=C(C)CCSCc1ccon1 62a_100000730704_100000234950 [1,0,0,0,0,0|3,0,0]=4 329 B12R1.255 C=C(C)CCSCc1ccsc1 62a_100000730704_100011233845 [1,0,0,0,0,0|3,0,0]=4 330 B12R1.255 C=C(C)CCSCc1ccsc1 62a_100011261437_100000730704 [1,0,0,0,0,0|3,0,0]=4 331 B12R1.255 C=C(C)CCSCc1cncs1 62a_100000730704_100015185245 [1,0,0,0,0,0|2,1,0]=4 332 B12R1.255 C=C(C)CCSCc1cncs1 62a_100015185245_100000730704 [1,0,0,0,0,0|2,1,0]=4 333 B12R1.255 C=C(C)CCSCc1cscn1 62a_100000205941_100000730704 [1,0,0,0,0,0|3,0,0]=4 334 B12R1.255 C=C(C)CCSCc1cscn1 62a_100000730704_100000205941 [1,0,0,0,0,0|3,0,0]=4 335 B12R1.255 C=C(C)CCSCc1ncc[nH]1 62a_100000730704_100016991755 [1,0,0,0,0,0|3,0,0]=4 336 B12R1.255 C=C(C)CCSCc1ncc[nH]1 62a_100016991755_100000730704 [1,0,0,0,0,0|3,0,0]=4 337 B12R1.255 C=C(C)CCSCc1ncco1 62a_100000730704_103436540062 [1,0,0,0,0,0|2,0,0]=3 338 B12R1.255 C=C(C)CCSCc1ncco1 62a_103436540062_100000730704 [1,0,0,0,0,0|2,0,0]=3 339 B12R1.255 C=C(C)CCSCc1nccs1 62a_100000730704_100015184050 [1,0,0,0,0,0|2,1,0]=4 340 B12R1.255 C=C(C)CCSCc1nccs1 62a_100015184050_100000730704 [1,0,0,0,0,0|2,1,0]=4 341 B12R1.255 C=C(C)CNCCc1ccco1 2230a_100000694680_100000748629 [1,0,0,0,0,0|3,0,0]=4 342 B12R1.255 C=C(C)CNCCc1ccco1 34a_100000694680_100000748629 [1,0,0,0,0,0|3,0,0]=4 343 B12R1.255 CC(=CCNCc1ccco1)C 2230a_100000185738_100000761012 [1,0,0,0,0,0|2,0,1]=4 344 B12R1.255 CC(=CCNCc1ccco1)C 270004a_100000718196_100000186105 [1,0,0,0,0,0|2,0,1]=4 345 B12R1.255 CC(=CCNCc1ccco1)C 34a_100000185738_100000761012 [1,0,0,0,0,0|2,0,1]=4 346 B12R1.255 CC(=CCOCc1ccco1)C 34a_100000210059_100000761012 [1,0,0,0,0,0|1,1,1]=4 347 B12R1.255 CC(=CCSCc1ncco1)C 62a_100000761012_103436540062 [1,0,0,0,0,0|2,0,1]=4 348 B12R1.255 CC(=CCSCc1ncco1)C 62a_103436540062_100000761012 [1,0,0,0,0,0|2,0,1]=4 349 B12R1.255 CC(=O)CCCCc1cccs1 1458a_100011216592_200000210301 [1,0,0,0,0,0|1,1,0]=3 350 B12R1.255 CC(=O)CCCSc1ccco1 62a_100009814098_100011215641 [1,0,0,0,0,0|2,0,0]=3 351 B12R1.255 CC(=O)CCCSc1ccco1 62a_100011215641_100009814098 [1,0,0,0,0,0|2,0,0]=3 352 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215356_100011215641 [1,0,0,0,0,0|2,1,0]=4 353 B12R1.255 CC(=O)CCCSc1cccs1 62a_100011215641_100011215356 [1,0,0,0,0,0|2,1,0]=4 354 B12R1.255 CC(=O)CCCSc1cnco1 62a_100011215641_100020591547 [1,0,0,0,0,0|3,0,0]=4 355 B12R1.255 CC(=O)CCCSc1cnco1 62a_100020591547_100011215641 [1,0,0,0,0,0|3,0,0]=4 356 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011215641_100011787736 [1,0,0,0,0,0|3,0,0]=4 357 B12R1.255 CC(=O)CCCSc1ncco1 62a_100011787736_100011215641 [1,0,0,0,0,0|3,0,0]=4 358 B12R1.255 CC(=O)CCOCc1c[nH]cn1 34a_100000759926_100000707719 [1,0,0,0,0,0|2,1,0]=4 359 B12R1.255 CC(=O)CCOCc1ccn[nH]1 34a_100000759926_100000728653 [1,0,0,0,0,0|2,1,0]=4 360 B12R1.255 CC(=O)CCOCc1ccn[nH]1 7a_100000759926_100000728653 [1,0,0,0,0,0|2,1,0]=4 361 B12R1.255 CC(=O)CCOCc1ccon1 34a_100000759926_100000234950 [1,0,0,0,0,0|2,1,0]=4 362 B12R1.255 CC(=O)CCOCc1ccon1 7a_100000759926_100000234950 [1,0,0,0,0,0|2,1,0]=4 363 B12R1.255 CC(=O)CCOCc1ccsc1 34a_100000759926_100011261437 [1,0,0,0,0,0|2,1,0]=4 364 B12R1.255 CC(=O)CCOCc1ccsc1 7a_100000759926_100011261437 [1,0,0,0,0,0|2,1,0]=4 365 B12R1.255 CC(=O)CCOCc1cncs1 34a_100000759926_100015185245 [1,0,0,0,0,0|1,2,0]=4 366 B12R1.255 CC(=O)CCOCc1cncs1 7a_100000759926_100015185245 [1,0,0,0,0,0|1,2,0]=4 367 B12R1.255 CC(=O)CCOCc1cscn1 34a_100000759926_100000205941 [1,0,0,0,0,0|2,1,0]=4 368 B12R1.255 CC(=O)CCOCc1cscn1 7a_100000759926_100000205941 [1,0,0,0,0,0|2,1,0]=4 369 B12R1.255 CC(=O)CCOCc1ncc[nH]1 34a_100000759926_100016991755 [1,0,0,0,0,0|2,1,0]=4 370 B12R1.255 CC(=O)CCOCc1ncc[nH]1 7a_100000759926_100000753453 [1,0,0,0,0,0|2,1,0]=4 371 B12R1.255 CC(=O)CCOCc1ncco1 34a_100000759926_103436540062 [1,0,0,0,0,0|1,1,0]=3 372 B12R1.255 CC(=O)CCOCc1ncco1 7a_100000759926_103436540062 [1,0,0,0,0,0|1,1,0]=3 373 B12R1.255 CC(=O)CCOCc1nccs1 34a_100000759926_100015184050 [1,0,0,0,0,0|1,2,0]=4 374 B12R1.255 CC(=O)CCOCc1nccs1 7a_100000759926_100015184050 [1,0,0,0,0,0|1,2,0]=4 375 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000053229_100000707719 [1,0,0,0,0,0|2,0,0]=3 376 B12R1.255 CC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000053229 [1,0,0,0,0,0|2,0,0]=3 377 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000053229_100000728653 [1,0,0,0,0,0|2,0,0]=3 378 B12R1.255 CC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000053229 [1,0,0,0,0,0|2,0,0]=3 379 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000053229_100000234950 [1,0,0,0,0,0|2,0,0]=3 380 B12R1.255 CC(=O)CCSCc1ccon1 62a_100000234950_100000053229 [1,0,0,0,0,0|2,0,0]=3 381 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100000053229_100011233845 [1,0,0,0,0,0|2,0,0]=3 382 B12R1.255 CC(=O)CCSCc1ccsc1 62a_100011261437_100000053229 [1,0,0,0,0,0|2,0,0]=3 383 B12R1.255 CC(=O)CCSCc1cncs1 62a_100000053229_100015185245 [1,0,0,0,0,0|1,1,0]=3 384 B12R1.255 CC(=O)CCSCc1cncs1 62a_100015185245_100000053229 [1,0,0,0,0,0|1,1,0]=3 385 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000053229_100000205941 [1,0,0,0,0,0|2,0,0]=3 386 B12R1.255 CC(=O)CCSCc1cscn1 62a_100000205941_100000053229 [1,0,0,0,0,0|2,0,0]=3 387 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100000053229_100016991755 [1,0,0,0,0,0|2,0,0]=3 388 B12R1.255 CC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000053229 [1,0,0,0,0,0|2,0,0]=3 389 B12R1.255 CC(=O)CCSCc1ncco1 62a_100000053229_103436540062 [1,0,0,0,0,0|1,0,0]=2 390 B12R1.255 CC(=O)CCSCc1ncco1 62a_103436540062_100000053229 [1,0,0,0,0,0|1,0,0]=2 391 B12R1.255 CC(=O)CCSCc1nccs1 62a_100000053229_100015184050 [1,0,0,0,0,0|1,1,0]=3 392 B12R1.255 CC(=O)CCSCc1nccs1 62a_100015184050_100000053229 [1,0,0,0,0,0|1,1,0]=3 393 B12R1.255 CC(=O)CCSCc1ncon1 62a_100000053229_100000233494 [1,0,0,0,0,0|3,0,0]=4 394 B12R1.255 CC(=O)CCSCc1ncon1 62a_100000233494_100000053229 [1,0,0,0,0,0|3,0,0]=4 395 B12R1.255 CC(=O)CCSCn1cncn1 62a_100000053229_200020645497 [1,0,0,0,0,0|3,0,0]=4 396 B12R1.255 CC(=O)CCSCn1cncn1 62a_200020645497_100000053229 [1,0,0,0,0,0|3,0,0]=4 397 B12R1.255 CC(=O)COCCc1cccs1 34a_100000211253_100000748579 [1,0,0,0,0,0|2,1,0]=4 398 B12R1.255 CC(=O)NCCSc1ccco1 62a_100000189650_100009814098 [1,0,0,0,0,0|3,0,0]=4 399 B12R1.255 CC(=O)NCCSc1ccco1 62a_100009814098_100000189650 [1,0,0,0,0,0|3,0,0]=4 400 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [1,0,0,0,0,0|2,0,1]=4 401 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814007_100009814098 [1,0,0,0,0,0|3,0,0]=4 402 B12R1.255 CC(=O)OCCSc1ccco1 62a_100009814098_100009814007 [1,0,0,0,0,0|3,0,0]=4 403 B12R1.255 CC(=O)OCNCc1ccco1 34a_100000185738_100009813279 [1,0,0,0,0,0|2,0,0]=3 404 B12R1.255 CC(=O)OCOCc1ccco1 34a_100000210059_100009813279 [1,0,0,0,0,0|1,1,0]=3 405 B12R1.255 CC(=O)OCOCc1cccs1 34a_100000211240_100009813279 [1,0,0,0,0,0|1,2,0]=4 406 B12R1.255 CC(=O)OCOCc1ccno1 34a_100000740478_100009813279 [1,0,0,0,0,0|2,1,0]=4 407 B12R1.255 CC(=O)OCOCc1ncco1 34a_100000062594_100009813279 [1,0,0,0,0,0|2,1,0]=4 408 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000076356_100000707719 [1,0,0,0,0,0|3,0,0]=4 409 B12R1.255 CC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000076356 [1,0,0,0,0,0|3,0,0]=4 410 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000076356_100000728653 [1,0,0,0,0,0|3,0,0]=4 411 B12R1.255 CC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000076356 [1,0,0,0,0,0|3,0,0]=4 412 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000076356_100000234950 [1,0,0,0,0,0|3,0,0]=4 413 B12R1.255 CC(=O)OCSCc1ccon1 62a_100000234950_100000076356 [1,0,0,0,0,0|3,0,0]=4 414 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100000076356_100011233845 [1,0,0,0,0,0|3,0,0]=4 415 B12R1.255 CC(=O)OCSCc1ccsc1 62a_100011261437_100000076356 [1,0,0,0,0,0|3,0,0]=4 416 B12R1.255 CC(=O)OCSCc1cncs1 62a_100000076356_100015185245 [1,0,0,0,0,0|2,1,0]=4 417 B12R1.255 CC(=O)OCSCc1cncs1 62a_100015185245_100000076356 [1,0,0,0,0,0|2,1,0]=4 418 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000076356_100000205941 [1,0,0,0,0,0|3,0,0]=4 419 B12R1.255 CC(=O)OCSCc1cscn1 62a_100000205941_100000076356 [1,0,0,0,0,0|3,0,0]=4 420 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100000076356_100016991755 [1,0,0,0,0,0|3,0,0]=4 421 B12R1.255 CC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000076356 [1,0,0,0,0,0|3,0,0]=4 422 B12R1.255 CC(=O)OCSCc1ncco1 62a_100000076356_103436540062 [1,0,0,0,0,0|2,0,0]=3 423 B12R1.255 CC(=O)OCSCc1ncco1 62a_103436540062_100000076356 [1,0,0,0,0,0|2,0,0]=3 424 B12R1.255 CC(=O)OCSCc1nccs1 62a_100000076356_100015184050 [1,0,0,0,0,0|2,1,0]=4 425 B12R1.255 CC(=O)OCSCc1nccs1 62a_100015184050_100000076356 [1,0,0,0,0,0|2,1,0]=4 426 B12R1.255 CC(C)CCNCc1ccco1 207a_100000210545_100000186105 [1,0,0,0,0,0|2,0,1]=4 427 B12R1.255 CC(C)CCNCc1ccco1 2230a_100000185738_100000210312 [1,0,0,0,0,0|2,0,1]=4 428 B12R1.255 CC(C)CCNCc1ccco1 270004a_100000210545_100000186105 [1,0,0,0,0,0|2,0,1]=4 429 B12R1.255 CC(C)CCNCc1ccco1 34a_100000185738_100000210312 [1,0,0,0,0,0|2,0,1]=4 430 B12R1.255 CC(C)CCOCc1ccco1 34a_100000210059_100000210312 [1,0,0,0,0,0|1,1,1]=4 431 B12R1.255 CC(C)CCSCc1ncco1 62a_100000210312_103436540062 [1,0,0,0,0,0|2,0,1]=4 432 B12R1.255 CC(C)CCSCc1ncco1 62a_103436540062_100000210312 [1,0,0,0,0,0|2,0,1]=4 433 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [1,0,0,0,0,0|1,0,2]=4 434 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [1,0,0,0,0,0|1,0,2]=4 435 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [1,0,0,0,0,0|1,0,2]=4 436 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [1,0,0,0,0,0|1,0,2]=4 437 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [1,0,0,0,0,0|0,1,2]=4 438 B12R1.255 CC(O)CCSCc1ncco1 62a_100012276601_103436540062 [1,0,0,0,0,0|1,0,2]=4 439 B12R1.255 CC(O)CCSCc1ncco1 62a_103436540062_100012276601 [1,0,0,0,0,0|1,0,2]=4 440 B12R1.255 CN(C)CCNCc1ccco1 207a_100000210585_100000186105 [1,0,0,0,0,0|3,0,0]=4 441 B12R1.255 CN(C)CCNCc1ccco1 270004a_100000210585_100000186105 [1,0,0,0,0,0|3,0,0]=4 442 B12R1.255 CN(C)CCSCc1ncco1 62a_103436540062_100000755713 [1,0,0,0,0,0|3,0,0]=4 443 B12R1.255 NC(=O)CCCSc1ccco1 62a_100009814098_100102525003 [1,0,0,0,0,0|3,0,0]=4 444 B12R1.255 NC(=O)CCCSc1ccco1 62a_100102525003_100009814098 [1,0,0,0,0,0|3,0,0]=4 445 B12R1.255 NC(=O)CCNCc1ccco1 207a_100000740010_100000186105 [1,0,0,0,0,0|2,0,0]=3 446 B12R1.255 NC(=O)CCNCc1ccco1 2230a_100000185738_100000744528 [1,0,0,0,0,0|2,0,0]=3 447 B12R1.255 NC(=O)CCNCc1ccco1 34a_100000185738_100000731001 [1,0,0,0,0,0|2,0,0]=3 448 B12R1.255 NC(=O)CCNCc1cccs1 207a_100000740010_100000209959 [1,0,0,0,0,0|2,1,0]=4 449 B12R1.255 NC(=O)CCNCc1cccs1 2230a_100000211653_100000744528 [1,0,0,0,0,0|2,1,0]=4 450 B12R1.255 NC(=O)CCNCc1ncco1 2230a_100016994969_100000744528 [1,0,0,0,0,0|3,0,0]=4 451 B12R1.255 NC(=O)CCOCc1ccco1 34a_100000210059_100000731001 [1,0,0,0,0,0|1,1,0]=3 452 B12R1.255 NC(=O)CCOCc1cccs1 34a_100000211240_100000731001 [1,0,0,0,0,0|1,2,0]=4 453 B12R1.255 NC(=O)CCOCc1ccno1 34a_100000740478_100000731001 [1,0,0,0,0,0|2,1,0]=4 454 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000062594_100000731001 [1,0,0,0,0,0|2,1,0]=4 455 B12R1.255 NC(=O)CCOCc1ncco1 34a_100000757172_103436540062 [1,0,0,0,0,0|2,1,0]=4 456 B12R1.255 NC(=O)CCOCc1ncco1 7a_100000757172_103436540062 [1,0,0,0,0,0|2,1,0]=4 457 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000744528 [1,0,0,0,0,0|3,0,0]=4 458 B12R1.255 NC(=O)CCSCc1c[nH]cn1 62a_100000744528_100000707719 [1,0,0,0,0,0|3,0,0]=4 459 B12R1.255 NC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000744528 [1,0,0,0,0,0|3,0,0]=4 460 B12R1.255 NC(=O)CCSCc1ccn[nH]1 62a_100000744528_100000728653 [1,0,0,0,0,0|3,0,0]=4 461 B12R1.255 NC(=O)CCSCc1ccon1 62a_100000234950_100000744528 [1,0,0,0,0,0|3,0,0]=4 462 B12R1.255 NC(=O)CCSCc1ccon1 62a_100000744528_100000234950 [1,0,0,0,0,0|3,0,0]=4 463 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100000744528_100011233845 [1,0,0,0,0,0|3,0,0]=4 464 B12R1.255 NC(=O)CCSCc1ccsc1 62a_100011261437_100000744528 [1,0,0,0,0,0|3,0,0]=4 465 B12R1.255 NC(=O)CCSCc1cncs1 62a_100000744528_100015185245 [1,0,0,0,0,0|2,1,0]=4 466 B12R1.255 NC(=O)CCSCc1cncs1 62a_100015185245_100000744528 [1,0,0,0,0,0|2,1,0]=4 467 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000205941_100000744528 [1,0,0,0,0,0|3,0,0]=4 468 B12R1.255 NC(=O)CCSCc1cscn1 62a_100000744528_100000205941 [1,0,0,0,0,0|3,0,0]=4 469 B12R1.255 NC(=O)CCSCc1ncc[nH]1 62a_100000744528_100016991755 [1,0,0,0,0,0|3,0,0]=4 470 B12R1.255 NC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000744528 [1,0,0,0,0,0|3,0,0]=4 471 B12R1.255 NC(=O)CCSCc1ncco1 62a_100000744528_103436540062 [1,0,0,0,0,0|2,0,0]=3 472 B12R1.255 NC(=O)CCSCc1ncco1 62a_103436540062_100000744528 [1,0,0,0,0,0|2,0,0]=3 473 B12R1.255 NC(=O)CCSCc1nccs1 62a_100000744528_100015184050 [1,0,0,0,0,0|2,1,0]=4 474 B12R1.255 NC(=O)CCSCc1nccs1 62a_100015184050_100000744528 [1,0,0,0,0,0|2,1,0]=4 475 B12R1.255 NC(=O)CNCCc1ccco1 2230a_100000694680_100000747473 [1,0,0,0,0,0|3,0,0]=4 476 B12R1.255 NC(=O)CNCCc1ccco1 34a_100000694680_100000187820 [1,0,0,0,0,0|3,0,0]=4 477 B12R1.255 O=C(O)CNCCc1cccs1 269956a_100016091260_100000748579 [1,0,0,0,0,0|2,1,0]=4 478 B12R1.255 O=C(O)CONCc1ncco1 269956a_100000106656_103436540062 [1,0,0,0,0,0|3,0,0]=4 479 B12R1.255 O=C([O-])CNCCc1ccco1 34a_100000694680_100020667443 [1,0,0,0,0,0|2,0,1]=4 480 B12R1.255 [13CH3]C(=O)CCCCc1cccs1 1458a_100011216592_200025704644 [1,0,0,0,0,0|1,1,0]=3 481 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 207a_100000751051_100000186105 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 2230a_100000185738_100000756660 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 270004a_100000751051_100000186105 [0,1,0,0,0,0|3,0,0]=4 484 B14R1.304 CCS(=O)(=O)CCNCc1ccco1 34a_100000185738_100000756660 [0,1,0,0,0,0|3,0,0]=4 485 B14R1.304 CCS(=O)(=O)CCOCc1ccco1 34a_100000210059_100000756660 [0,1,0,0,0,0|2,1,0]=4 486 B14R1.304 CCS(=O)(=O)CCSCc1ncco1 62a_100000756660_103436540062 [0,1,0,0,0,0|3,0,0]=4 487 B14R1.304 CCS(=O)(=O)CCSCc1ncco1 62a_103436540062_100000756660 [0,1,0,0,0,0|3,0,0]=4 488 B14R1.304 CNS(=O)(=O)CCNCc1ccco1 207a_100000710037_100000186105 [0,1,0,0,0,0|3,0,0]=4 489 B14R1.304 CNS(=O)(=O)CCNCc1ccco1 270004a_100000710037_100000186105 [0,1,0,0,0,0|3,0,0]=4 490 B14R1.394 COC(CCNCc1ccco1)OC 2230a_100000185738_100009813347 [0,1,0,0,0,0|1,0,2]=4 491 B14R1.394 COC(CCNCc1ccco1)OC 34a_100000185738_100000139399 [0,1,0,0,0,0|1,0,2]=4 492 B14R1.394 COC(CCOCc1ccco1)OC 34a_100000210059_100000139399 [0,1,0,0,0,0|0,1,2]=4 493 B14R1.394 COC(CCSCc1ncco1)OC 62a_100000139399_103436540062 [0,1,0,0,0,0|1,0,2]=4 494 B14R1.394 COC(CCSCc1ncco1)OC 62a_103436540062_100000139399 [0,1,0,0,0,0|1,0,2]=4 495 B14R1.588 CCC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000747405 [0,1,0,0,0,0|2,0,1]=4 496 B14R1.588 CCC(=O)CC(=O)NCc1ccco1 1458a_100000210414_100000183421 [0,1,0,0,0,0|2,0,1]=4 497 B14R1.588 CCC(=O)NC(C)CCc1ccco1 11a_100000199034_100000210414 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.588 CCC(=O)NC(C)CCc1ccco1 1626a_100000199034_100000210414 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.588 CCC(=O)NC(C)CCc1ccco1 527a_100000199034_100000210414 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.588 CNC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000183359 [0,1,0,0,0,0|2,0,1]=4 501 B14R1.588 CNC(=O)NC(C)CCc1ccco1 2708a_100000199034_106832991635 [0,1,0,0,0,0|3,0,0]=4 502 B14R1.588 CNC(=O)NC(C)CCc1ccco1 2708a_100102657272_100000199034 [0,1,0,0,0,0|3,0,0]=4 503 B14R1.588 CNC(=O)NC(C)CCc1ccco1 273464a_100000199034_100102657272 [0,1,0,0,0,0|3,0,0]=4 504 B14R1.588 CNC(=O)NC(C)CCc1ccco1 512a_100000199034_100102657272 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.588 CNC(=O)NC(C)CCc1ccco1 512a_106832991638_100000199034 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.588 COC(=O)CC(=O)CCc1ccc[nH]1 1458a_200011998680_100000747449 [0,1,0,0,0,0|2,0,1]=4 507 B14R1.588 COC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000747449 [0,1,0,0,0,0|1,0,1]=3 508 B14R1.588 COC(=O)CC(=O)CCc1cccs1 1458a_100000185280_100000747449 [0,1,0,0,0,0|1,1,1]=4 509 B14R1.588 COC(=O)CC(=O)CCc1cccs1 1458a_100000211351_100000748579 [0,1,0,0,0,0|1,1,1]=4 510 B14R1.588 COC(=O)CC(=O)CSc1ccco1 62a_100000210525_100009814098 [0,1,0,0,0,0|2,0,1]=4 511 B14R1.588 COC(=O)CC(=O)CSc1ccco1 62a_100009814098_100000210525 [0,1,0,0,0,0|2,0,1]=4 512 B14R1.588 COC(=O)CC(=O)NCc1ccc[nH]1 240690a_100000764082_100000211351 [0,1,0,0,0,0|2,0,1]=4 513 B14R1.588 COC(=O)CC(=O)NCc1ccco1 240690a_100000185738_100000211351 [0,1,0,0,0,0|1,0,1]=3 514 B14R1.588 COC(=O)CC(=O)NCc1cccs1 240690a_100000211653_100000211351 [0,1,0,0,0,0|1,1,1]=4 515 B14R1.588 COC(=O)CC(=O)NCc1cnco1 240690a_100020634212_100000211351 [0,1,0,0,0,0|2,0,1]=4 516 B14R1.588 COC(=O)CC(=O)NCc1ncco1 240690a_100016994969_100000211351 [0,1,0,0,0,0|2,0,1]=4 517 B14R1.588 COC(=O)CC(C)NCc1ccco1 2230a_100000185738_100009817358 [0,1,0,0,0,0|1,0,0]=2 518 B14R1.588 COC(=O)CC(C)NCc1ccco1 34a_100000185738_100009817358 [0,1,0,0,0,0|1,0,0]=2 519 B14R1.588 COC(=O)CC(C)NCc1cccs1 2230a_100000211653_100009817358 [0,1,0,0,0,0|1,1,0]=3 520 B14R1.588 COC(=O)CC(C)NCc1ccoc1 2230a_100015206860_100009817358 [0,1,0,0,0,0|3,0,0]=4 521 B14R1.588 COC(=O)CC(C)NCc1ccoc1 34a_100015206860_100009817358 [0,1,0,0,0,0|3,0,0]=4 522 B14R1.588 COC(=O)CC(C)NCc1ccsc1 2230a_100000186416_100009817358 [0,1,0,0,0,0|3,0,0]=4 523 B14R1.588 COC(=O)CC(C)NCc1ccsc1 34a_100000186416_100009817358 [0,1,0,0,0,0|3,0,0]=4 524 B14R1.588 COC(=O)CC(C)NCc1cncs1 2230a_100016987365_100009817358 [0,1,0,0,0,0|2,1,0]=4 525 B14R1.588 COC(=O)CC(C)NCc1cscn1 2230a_100015185402_100009817358 [0,1,0,0,0,0|3,0,0]=4 526 B14R1.588 COC(=O)CC(C)NCc1ncco1 2230a_100016994969_100009817358 [0,1,0,0,0,0|2,0,0]=3 527 B14R1.588 COC(=O)CC(C)NCc1nccs1 2230a_100000740555_100009817358 [0,1,0,0,0,0|2,1,0]=4 528 B14R1.588 COC(=O)CC(C)OCc1ccco1 34a_100000210059_100009817358 [0,1,0,0,0,0|0,1,0]=2 529 B14R1.588 COC(=O)CC(C)OCc1cccs1 34a_100000211240_100009817358 [0,1,0,0,0,0|0,2,0]=3 530 B14R1.588 COC(=O)CC(C)OCc1ccno1 34a_100000740478_100009817358 [0,1,0,0,0,0|1,1,0]=3 531 B14R1.588 COC(=O)CC(C)OCc1ccoc1 34a_100011215357_100009817358 [0,1,0,0,0,0|2,1,0]=4 532 B14R1.588 COC(=O)CC(C)OCc1ccsc1 34a_100011215551_100009817358 [0,1,0,0,0,0|2,1,0]=4 533 B14R1.588 COC(=O)CC(C)OCc1ncco1 34a_100000062594_100009817358 [0,1,0,0,0,0|1,1,0]=3 534 B14R1.588 COC(=O)CC(C)OCn1cccn1 34a_100000731028_100009817358 [0,1,0,0,0,0|2,1,0]=4 535 B14R1.588 COC(=O)CC(C)SCc1c[nH]cn1 62a_100000707719_100009817358 [0,1,0,0,0,0|2,0,0]=3 536 B14R1.588 COC(=O)CC(C)SCc1c[nH]cn1 62a_100009817358_100000707719 [0,1,0,0,0,0|2,0,0]=3 537 B14R1.588 COC(=O)CC(C)SCc1ccn[nH]1 62a_100000728653_100009817358 [0,1,0,0,0,0|2,0,0]=3 538 B14R1.588 COC(=O)CC(C)SCc1ccn[nH]1 62a_100009817358_100000728653 [0,1,0,0,0,0|2,0,0]=3 539 B14R1.588 COC(=O)CC(C)SCc1ccon1 62a_100000234950_100009817358 [0,1,0,0,0,0|2,0,0]=3 540 B14R1.588 COC(=O)CC(C)SCc1ccon1 62a_100009817358_100000234950 [0,1,0,0,0,0|2,0,0]=3 541 B14R1.588 COC(=O)CC(C)SCc1ccsc1 62a_100009817358_100011233845 [0,1,0,0,0,0|2,0,0]=3 542 B14R1.588 COC(=O)CC(C)SCc1ccsc1 62a_100011261437_100009817358 [0,1,0,0,0,0|2,0,0]=3 543 B14R1.588 COC(=O)CC(C)SCc1cncs1 62a_100009817358_100015185245 [0,1,0,0,0,0|1,1,0]=3 544 B14R1.588 COC(=O)CC(C)SCc1cncs1 62a_100015185245_100009817358 [0,1,0,0,0,0|1,1,0]=3 545 B14R1.588 COC(=O)CC(C)SCc1cscn1 62a_100000205941_100009817358 [0,1,0,0,0,0|2,0,0]=3 546 B14R1.588 COC(=O)CC(C)SCc1cscn1 62a_100009817358_100000205941 [0,1,0,0,0,0|2,0,0]=3 547 B14R1.588 COC(=O)CC(C)SCc1ncc[nH]1 62a_100009817358_100016991755 [0,1,0,0,0,0|2,0,0]=3 548 B14R1.588 COC(=O)CC(C)SCc1ncc[nH]1 62a_100016991755_100009817358 [0,1,0,0,0,0|2,0,0]=3 549 B14R1.588 COC(=O)CC(C)SCc1ncco1 62a_100009817358_103436540062 [0,1,0,0,0,0|1,0,0]=2 550 B14R1.588 COC(=O)CC(C)SCc1ncco1 62a_103436540062_100009817358 [0,1,0,0,0,0|1,0,0]=2 551 B14R1.588 COC(=O)CC(C)SCc1nccs1 62a_100009817358_100015184050 [0,1,0,0,0,0|1,1,0]=3 552 B14R1.588 COC(=O)CC(C)SCc1nccs1 62a_100015184050_100009817358 [0,1,0,0,0,0|1,1,0]=3 553 B14R1.588 COC(=O)CC(C)SCc1ncon1 62a_100000233494_100009817358 [0,1,0,0,0,0|3,0,0]=4 554 B14R1.588 COC(=O)CC(C)SCc1ncon1 62a_100009817358_100000233494 [0,1,0,0,0,0|3,0,0]=4 555 B14R1.588 COC(=O)CC(C)SCn1cncn1 62a_100009817358_200020645497 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.588 COC(=O)CC(C)SCn1cncn1 62a_200020645497_100009817358 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.588 COC(=O)CN(C)CCc1cccs1 2230a_100000198492_100000748579 [0,1,0,0,0,0|2,1,0]=4 558 B14R1.588 COC(=O)C[C@@H](O)CSc1ccco1 62a_100000754131_100009814098 [0,1,0,0,0,0|2,0,0]=3 559 B14R1.588 COC(=O)C[C@@H](O)CSc1ccco1 62a_100009814098_100000754131 [0,1,0,0,0,0|2,0,0]=3 560 B14R1.588 COC(=O)C[C@@H](O)CSc1cccs1 62a_100000754131_100011215356 [0,1,0,0,0,0|2,1,0]=4 561 B14R1.588 COC(=O)C[C@@H](O)CSc1cccs1 62a_100011215356_100000754131 [0,1,0,0,0,0|2,1,0]=4 562 B14R1.588 COC(=O)C[C@@H](O)CSc1cnco1 62a_100000754131_100020591547 [0,1,0,0,0,0|3,0,0]=4 563 B14R1.588 COC(=O)C[C@@H](O)CSc1cnco1 62a_100020591547_100000754131 [0,1,0,0,0,0|3,0,0]=4 564 B14R1.588 COC(=O)C[C@@H](O)CSc1ncco1 62a_100000754131_100011787736 [0,1,0,0,0,0|3,0,0]=4 565 B14R1.588 COC(=O)C[C@@H](O)CSc1ncco1 62a_100011787736_100000754131 [0,1,0,0,0,0|3,0,0]=4 566 B14R1.609 C=COC(=O)CNCCc1ccco1 2230a_100000694680_100000036128 [0,1,0,0,0,0|2,0,1]=4 567 B14R1.609 C=COC(=O)CNCCc1ccco1 34a_100000694680_100000036128 [0,1,0,0,0,0|2,0,1]=4 568 B14R1.609 CCCC(=O)CCCCc1cccs1 1458a_100011216592_100000210303 [0,1,0,0,0,0|2,1,0]=4 569 B14R1.609 CCCC(=O)CNCCc1ccco1 2230a_100000694680_100000747444 [0,1,0,0,0,0|3,0,0]=4 570 B14R1.609 CCCC(=O)OCNCc1ccco1 2230a_100000185738_100000034017 [0,1,0,0,0,0|3,0,0]=4 571 B14R1.609 CCCC(=O)OCNCc1ccco1 34a_100000185738_100000034017 [0,1,0,0,0,0|3,0,0]=4 572 B14R1.609 CCCC(=O)OCOCc1ccco1 34a_100000210059_100000034017 [0,1,0,0,0,0|2,1,0]=4 573 B14R1.609 CCCC(=O)OCSCc1ncco1 62a_103436540062_100000034017 [0,1,0,0,0,0|3,0,0]=4 574 B14R1.609 CCNC(=O)CCCCc1cccs1 11a_100015525214_100011216592 [0,1,0,0,0,0|2,1,0]=4 575 B14R1.609 CCNC(=O)CCCCc1cccs1 240690a_100015525214_100011216592 [0,1,0,0,0,0|2,1,0]=4 576 B14R1.609 CCNC(=O)CCCCc1cccs1 527a_100015525214_100011216592 [0,1,0,0,0,0|2,1,0]=4 577 B14R1.609 CCNC(=O)CCNCc1ccco1 207a_100025743525_100000186105 [0,1,0,0,0,0|2,0,0]=3 578 B14R1.609 CCNC(=O)CCNCc1ccco1 2230a_100000185738_100000737597 [0,1,0,0,0,0|2,0,0]=3 579 B14R1.609 CCNC(=O)CCNCc1ccco1 270004a_100025743525_100000186105 [0,1,0,0,0,0|2,0,0]=3 580 B14R1.609 CCNC(=O)CCNCc1cccs1 207a_100025743525_100000209959 [0,1,0,0,0,0|2,1,0]=4 581 B14R1.609 CCNC(=O)CCNCc1cccs1 2230a_100000211653_100000737597 [0,1,0,0,0,0|2,1,0]=4 582 B14R1.609 CCNC(=O)CCNCc1cccs1 270004a_100025743525_100000209959 [0,1,0,0,0,0|2,1,0]=4 583 B14R1.609 CCNC(=O)CCNCc1cnco1 270004a_100025743525_100000064291 [0,1,0,0,0,0|3,0,0]=4 584 B14R1.609 CCNC(=O)CCNCc1ncco1 2230a_100016994969_100000737597 [0,1,0,0,0,0|3,0,0]=4 585 B14R1.609 CCNC(=O)CCNCc1ncco1 270004a_100025743525_100000064290 [0,1,0,0,0,0|3,0,0]=4 586 B14R1.609 CCNC(=O)CCNCc1ncco1 34a_100025743525_103436540062 [0,1,0,0,0,0|3,0,0]=4 587 B14R1.609 CCNC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000737597 [0,1,0,0,0,0|3,0,0]=4 588 B14R1.609 CCNC(=O)CCSCc1c[nH]cn1 62a_100000737597_100000707719 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.609 CCNC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000737597 [0,1,0,0,0,0|3,0,0]=4 590 B14R1.609 CCNC(=O)CCSCc1ccn[nH]1 62a_100000737597_100000728653 [0,1,0,0,0,0|3,0,0]=4 591 B14R1.609 CCNC(=O)CCSCc1ccon1 62a_100000234950_100000737597 [0,1,0,0,0,0|3,0,0]=4 592 B14R1.609 CCNC(=O)CCSCc1ccon1 62a_100000737597_100000234950 [0,1,0,0,0,0|3,0,0]=4 593 B14R1.609 CCNC(=O)CCSCc1ccsc1 62a_100000737597_100011233845 [0,1,0,0,0,0|3,0,0]=4 594 B14R1.609 CCNC(=O)CCSCc1ccsc1 62a_100011261437_100000737597 [0,1,0,0,0,0|3,0,0]=4 595 B14R1.609 CCNC(=O)CCSCc1cncs1 62a_100000737597_100015185245 [0,1,0,0,0,0|2,1,0]=4 596 B14R1.609 CCNC(=O)CCSCc1cncs1 62a_100015185245_100000737597 [0,1,0,0,0,0|2,1,0]=4 597 B14R1.609 CCNC(=O)CCSCc1cscn1 62a_100000205941_100000737597 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.609 CCNC(=O)CCSCc1cscn1 62a_100000737597_100000205941 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.609 CCNC(=O)CCSCc1ncc[nH]1 62a_100000737597_100016991755 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.609 CCNC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000737597 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.609 CCNC(=O)CCSCc1ncco1 62a_100000737597_103436540062 [0,1,0,0,0,0|2,0,0]=3 602 B14R1.609 CCNC(=O)CCSCc1ncco1 62a_103436540062_100000737597 [0,1,0,0,0,0|2,0,0]=3 603 B14R1.609 CCNC(=O)CCSCc1nccs1 62a_100000737597_100015184050 [0,1,0,0,0,0|2,1,0]=4 604 B14R1.609 CCNC(=O)CCSCc1nccs1 62a_100015184050_100000737597 [0,1,0,0,0,0|2,1,0]=4 605 B14R1.609 CCNC(=O)CNCCc1ccco1 2230a_100000694680_100000183381 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.609 CCNC(=O)CNCCc1ccco1 34a_100000694680_100000183381 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.609 CCOC(=O)CCCSc1ccco1 62a_100009814098_100009991533 [0,1,0,0,0,0|2,0,0]=3 608 B14R1.609 CCOC(=O)CCCSc1ccco1 62a_100009991533_100009814098 [0,1,0,0,0,0|2,0,0]=3 609 B14R1.609 CCOC(=O)CCCSc1cccs1 62a_100009991533_100011215356 [0,1,0,0,0,0|2,1,0]=4 610 B14R1.609 CCOC(=O)CCCSc1cccs1 62a_100011215356_100009991533 [0,1,0,0,0,0|2,1,0]=4 611 B14R1.609 CCOC(=O)CCCSc1cnco1 62a_100009991533_100020591547 [0,1,0,0,0,0|3,0,0]=4 612 B14R1.609 CCOC(=O)CCCSc1cnco1 62a_100020591547_100009991533 [0,1,0,0,0,0|3,0,0]=4 613 B14R1.609 CCOC(=O)CCCSc1ncco1 62a_100009991533_100011787736 [0,1,0,0,0,0|3,0,0]=4 614 B14R1.609 CCOC(=O)CCCSc1ncco1 62a_100011787736_100009991533 [0,1,0,0,0,0|3,0,0]=4 615 B14R1.609 CCOC(=O)CCNCc1ccco1 2230a_100000185738_100011206558 [0,1,0,0,0,0|1,0,0]=2 616 B14R1.609 CCOC(=O)CCNCc1ccco1 34a_100000185738_100000765890 [0,1,0,0,0,0|1,0,0]=2 617 B14R1.609 CCOC(=O)CCNCc1cccs1 2230a_100000211653_100011206558 [0,1,0,0,0,0|1,1,0]=3 618 B14R1.609 CCOC(=O)CCNCc1ccoc1 2230a_100015206860_100011206558 [0,1,0,0,0,0|3,0,0]=4 619 B14R1.609 CCOC(=O)CCNCc1ccoc1 34a_100015206860_100000765890 [0,1,0,0,0,0|3,0,0]=4 620 B14R1.609 CCOC(=O)CCNCc1ccsc1 2230a_100000186416_100011206558 [0,1,0,0,0,0|3,0,0]=4 621 B14R1.609 CCOC(=O)CCNCc1ccsc1 34a_100000186416_100000765890 [0,1,0,0,0,0|3,0,0]=4 622 B14R1.609 CCOC(=O)CCNCc1cncs1 2230a_100016987365_100011206558 [0,1,0,0,0,0|2,1,0]=4 623 B14R1.609 CCOC(=O)CCNCc1cscn1 2230a_100015185402_100011206558 [0,1,0,0,0,0|3,0,0]=4 624 B14R1.609 CCOC(=O)CCNCc1ncco1 2230a_100016994969_100011206558 [0,1,0,0,0,0|2,0,0]=3 625 B14R1.609 CCOC(=O)CCNCc1nccs1 2230a_100000740555_100011206558 [0,1,0,0,0,0|2,1,0]=4 626 B14R1.609 CCOC(=O)CCOCc1ccco1 34a_100000210059_100000765890 [0,1,0,0,0,0|0,1,0]=2 627 B14R1.609 CCOC(=O)CCOCc1cccs1 34a_100000211240_100000765890 [0,1,0,0,0,0|0,2,0]=3 628 B14R1.609 CCOC(=O)CCOCc1ccno1 34a_100000740478_100000765890 [0,1,0,0,0,0|1,1,0]=3 629 B14R1.609 CCOC(=O)CCOCc1ccoc1 34a_100011215357_100000765890 [0,1,0,0,0,0|2,1,0]=4 630 B14R1.609 CCOC(=O)CCOCc1ccsc1 34a_100011215551_100000765890 [0,1,0,0,0,0|2,1,0]=4 631 B14R1.609 CCOC(=O)CCOCc1ncco1 34a_100000062594_100000765890 [0,1,0,0,0,0|1,1,0]=3 632 B14R1.609 CCOC(=O)CCOCn1cccn1 34a_100000731028_100000765890 [0,1,0,0,0,0|2,1,0]=4 633 B14R1.609 CCOC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000765890 [0,1,0,0,0,0|2,0,0]=3 634 B14R1.609 CCOC(=O)CCSCc1c[nH]cn1 62a_100000765890_100000707719 [0,1,0,0,0,0|2,0,0]=3 635 B14R1.609 CCOC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000765890 [0,1,0,0,0,0|2,0,0]=3 636 B14R1.609 CCOC(=O)CCSCc1ccn[nH]1 62a_100000765890_100000728653 [0,1,0,0,0,0|2,0,0]=3 637 B14R1.609 CCOC(=O)CCSCc1ccon1 62a_100000234950_100000765890 [0,1,0,0,0,0|2,0,0]=3 638 B14R1.609 CCOC(=O)CCSCc1ccon1 62a_100000765890_100000234950 [0,1,0,0,0,0|2,0,0]=3 639 B14R1.609 CCOC(=O)CCSCc1ccsc1 62a_100000765890_100011233845 [0,1,0,0,0,0|2,0,0]=3 640 B14R1.609 CCOC(=O)CCSCc1ccsc1 62a_100011261437_100000765890 [0,1,0,0,0,0|2,0,0]=3 641 B14R1.609 CCOC(=O)CCSCc1cncs1 62a_100000765890_100015185245 [0,1,0,0,0,0|1,1,0]=3 642 B14R1.609 CCOC(=O)CCSCc1cncs1 62a_100015185245_100000765890 [0,1,0,0,0,0|1,1,0]=3 643 B14R1.609 CCOC(=O)CCSCc1cscn1 62a_100000205941_100000765890 [0,1,0,0,0,0|2,0,0]=3 644 B14R1.609 CCOC(=O)CCSCc1cscn1 62a_100000765890_100000205941 [0,1,0,0,0,0|2,0,0]=3 645 B14R1.609 CCOC(=O)CCSCc1ncc[nH]1 62a_100000765890_100016991755 [0,1,0,0,0,0|2,0,0]=3 646 B14R1.609 CCOC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000765890 [0,1,0,0,0,0|2,0,0]=3 647 B14R1.609 CCOC(=O)CCSCc1ncco1 62a_100000765890_103436540062 [0,1,0,0,0,0|1,0,0]=2 648 B14R1.609 CCOC(=O)CCSCc1ncco1 62a_103436540062_100000765890 [0,1,0,0,0,0|1,0,0]=2 649 B14R1.609 CCOC(=O)CCSCc1nccs1 62a_100000765890_100015184050 [0,1,0,0,0,0|1,1,0]=3 650 B14R1.609 CCOC(=O)CCSCc1nccs1 62a_100015184050_100000765890 [0,1,0,0,0,0|1,1,0]=3 651 B14R1.609 CCOC(=O)CCSCc1ncon1 62a_100000233494_100000765890 [0,1,0,0,0,0|3,0,0]=4 652 B14R1.609 CCOC(=O)CCSCc1ncon1 62a_100000765890_100000233494 [0,1,0,0,0,0|3,0,0]=4 653 B14R1.609 CCOC(=O)CCSCn1cncn1 62a_100000765890_200020645497 [0,1,0,0,0,0|3,0,0]=4 654 B14R1.609 CCOC(=O)CCSCn1cncn1 62a_200020645497_100000765890 [0,1,0,0,0,0|3,0,0]=4 655 B14R1.609 CCOC(=O)CNCCc1ccco1 2230a_100000694680_100000188475 [0,1,0,0,0,0|2,0,0]=3 656 B14R1.609 CCOC(=O)CNCCc1ccco1 34a_100000694680_100000188475 [0,1,0,0,0,0|2,0,0]=3 657 B14R1.609 CCOC(=O)CNCCc1cccs1 2230a_100000203755_100000188475 [0,1,0,0,0,0|2,1,0]=4 658 B14R1.609 CCOC(=O)CNCCc1cccs1 34a_100000203755_100000188475 [0,1,0,0,0,0|2,1,0]=4 659 B14R1.609 CCOC(=O)COCCc1cccs1 34a_100011216825_100000188475 [0,1,0,0,0,0|2,1,0]=4 660 B14R1.609 CCOC(=O)COCCc1cccs1 7a_100011216825_100000188475 [0,1,0,0,0,0|2,1,0]=4 661 B14R1.609 CCOC(=O)CSCCc1cccs1 62a_100000188475_100000748579 [0,1,0,0,0,0|2,1,0]=4 662 B14R1.609 CCOC(=O)CSCCc1cccs1 62a_100000748579_100000188475 [0,1,0,0,0,0|2,1,0]=4 663 B14R1.609 CCOC(=O)NCCSc1ccco1 62a_100009814098_200011445536 [0,1,0,0,0,0|3,0,0]=4 664 B14R1.609 CCOC(=O)OCSCc1c[nH]cn1 62a_100000707719_100000075025 [0,1,0,0,0,0|3,0,0]=4 665 B14R1.609 CCOC(=O)OCSCc1ccn[nH]1 62a_100000728653_100000075025 [0,1,0,0,0,0|3,0,0]=4 666 B14R1.609 CCOC(=O)OCSCc1ccon1 62a_100000234950_100000075025 [0,1,0,0,0,0|3,0,0]=4 667 B14R1.609 CCOC(=O)OCSCc1ccsc1 62a_100011261437_100000075025 [0,1,0,0,0,0|3,0,0]=4 668 B14R1.609 CCOC(=O)OCSCc1cncs1 62a_100015185245_100000075025 [0,1,0,0,0,0|2,1,0]=4 669 B14R1.609 CCOC(=O)OCSCc1cscn1 62a_100000205941_100000075025 [0,1,0,0,0,0|3,0,0]=4 670 B14R1.609 CCOC(=O)OCSCc1ncc[nH]1 62a_100016991755_100000075025 [0,1,0,0,0,0|3,0,0]=4 671 B14R1.609 CCOC(=O)OCSCc1ncco1 62a_103436540062_100000075025 [0,1,0,0,0,0|2,0,0]=3 672 B14R1.609 CCOC(=O)OCSCc1nccs1 62a_100015184050_100000075025 [0,1,0,0,0,0|2,1,0]=4 673 B14R1.609 CNNC(=O)CCCCc1cccs1 22a_100016993582_100011216592 [0,1,0,0,0,0|2,1,0]=4 674 B14R1.609 O=C(CCF)CCCCc1cccs1 1458a_100011216592_100011217306 [0,1,0,0,0,0|2,1,0]=4 675 B14R1.609 O=C(CCO)CCCCc1cccs1 1458a_100011216592_100000211926 [0,1,0,0,0,0|2,1,0]=4 676 B14R1.609 O=C(CNCCc1ccco1)NCO 2230a_100000694680_100000185155 [0,1,0,0,0,0|3,0,0]=4 677 B14R1.609 O=C(CNCCc1ccco1)NCO 34a_100000694680_100000185155 [0,1,0,0,0,0|3,0,0]=4 678 B14R1.715 CCC(=O)CCSCc1csc(n1)C 1458a_100000230772_100000210202 [0,1,0,0,0,0|3,0,0]=4 679 B14R1.715 CCC(=O)COCCc1ccc(o1)C 7a_100012161071_100000747405 [0,1,0,0,0,0|3,0,0]=4 680 B14R1.715 CNC(=O)CCNCc1cc(c[nH]1)Br 270004a_100000738227_100000720742 [0,1,0,0,0,0|3,0,0]=4 681 B14R1.715 CNC(=O)CCNCc1cc(co1)Br 270004a_100000738227_100000747035 [0,1,0,0,0,0|2,0,0]=3 682 B14R1.715 CNC(=O)CCNCc1cc(cs1)Br 207a_100000738227_100000211722 [0,1,0,0,0,0|2,1,0]=4 683 B14R1.715 CNC(=O)CCNCc1cc(cs1)Br 2230a_100000738227_100000746031 [0,1,0,0,0,0|2,1,0]=4 684 B14R1.715 CNC(=O)CCNCc1cc(cs1)Br 2230a_100000741024_100000737683 [0,1,0,0,0,0|2,1,0]=4 685 B14R1.715 CNC(=O)CCNCc1cc(cs1)Br 270004a_100000738227_100000211722 [0,1,0,0,0,0|2,1,0]=4 686 B14R1.715 CNC(=O)CCNCc1cc(cs1)Br 34a_100000738227_100000746031 [0,1,0,0,0,0|2,1,0]=4 687 B14R1.715 CNC(=O)CCNCc1cc(cs1)Br 34a_100000741024_100012179268 [0,1,0,0,0,0|2,1,0]=4 688 B14R1.715 CNC(=O)CCNCc1cc(cs1)C 207a_100000738227_100102525248 [0,1,0,0,0,0|2,1,0]=4 689 B14R1.715 CNC(=O)CCNCc1cc(cs1)C 2230a_100015204214_100000737683 [0,1,0,0,0,0|2,1,0]=4 690 B14R1.715 CNC(=O)CCNCc1cc(cs1)C 270004a_100000738227_100102525248 [0,1,0,0,0,0|2,1,0]=4 691 B14R1.715 CNC(=O)CCNCc1cc(cs1)C 34a_100015204214_100012179268 [0,1,0,0,0,0|2,1,0]=4 692 B14R1.715 CNC(=O)CCNCc1cc(cs1)Cl 207a_100000738227_100000102487 [0,1,0,0,0,0|2,1,0]=4 693 B14R1.715 CNC(=O)CCNCc1cc(cs1)Cl 270004a_100000738227_100000102487 [0,1,0,0,0,0|2,1,0]=4 694 B14R1.715 CNC(=O)CCNCc1cc(cs1)I 207a_100000738227_100010179861 [0,1,0,0,0,0|2,1,0]=4 695 B14R1.715 CNC(=O)CCNCc1cc(no1)Br 2230a_100015193020_100000737683 [0,1,0,0,0,0|3,0,0]=4 696 B14R1.715 CNC(=O)CCNCc1cc(no1)Br 270004a_100000738227_100009819588 [0,1,0,0,0,0|3,0,0]=4 697 B14R1.715 CNC(=O)CCNCc1cc(no1)Br 34a_100015193020_100012179268 [0,1,0,0,0,0|3,0,0]=4 698 B14R1.715 CNC(=O)CCNCc1cc(no1)C 207a_100000738227_100011794430 [0,1,0,0,0,0|3,0,0]=4 699 B14R1.715 CNC(=O)CCNCc1cc(no1)C 2230a_100000738227_100000707947 [0,1,0,0,0,0|3,0,0]=4 700 B14R1.715 CNC(=O)CCNCc1cc(no1)C 2230a_100000745748_100000737683 [0,1,0,0,0,0|3,0,0]=4 701 B14R1.715 CNC(=O)CCNCc1cc(no1)C 270004a_100000738227_100011794430 [0,1,0,0,0,0|3,0,0]=4 702 B14R1.715 CNC(=O)CCNCc1cc(no1)C 34a_100000738227_100000707947 [0,1,0,0,0,0|3,0,0]=4 703 B14R1.715 CNC(=O)CCNCc1cc(no1)C 34a_100000745748_100012179268 [0,1,0,0,0,0|3,0,0]=4 704 B14R1.715 CNC(=O)CCNCc1ccc(o1)Br 207a_100000738227_100000185145 [0,1,0,0,0,0|2,0,0]=3 705 B14R1.715 CNC(=O)CCNCc1ccc(o1)Br 270004a_100000738227_100000185145 [0,1,0,0,0,0|2,0,0]=3 706 B14R1.715 CNC(=O)CCNCc1ccc(o1)Br 34a_100000708654_100012179268 [0,1,0,0,0,0|2,0,0]=3 707 B14R1.715 CNC(=O)CCNCc1ccc(o1)C 207a_100000738227_100000183696 [0,1,0,0,0,0|2,0,0]=3 708 B14R1.715 CNC(=O)CCNCc1ccc(o1)C 270004a_100000738227_100000183696 [0,1,0,0,0,0|2,0,0]=3 709 B14R1.715 CNC(=O)CCNCc1ccc(o1)C 34a_100011194323_100012179268 [0,1,0,0,0,0|2,0,0]=3 710 B14R1.715 CNC(=O)CCNCc1ccc(o1)Cl 207a_100000738227_100000188459 [0,1,0,0,0,0|2,0,0]=3 711 B14R1.715 CNC(=O)CCNCc1ccc(o1)Cl 270004a_100000738227_100000188459 [0,1,0,0,0,0|2,0,0]=3 712 B14R1.715 CNC(=O)CCNCc1ccc(o1)I 207a_100000738227_100000186757 [0,1,0,0,0,0|2,0,0]=3 713 B14R1.715 CNC(=O)CCNCc1ccc(s1)Br 207a_100000738227_100000179771 [0,1,0,0,0,0|2,1,0]=4 714 B14R1.715 CNC(=O)CCNCc1ccc(s1)Br 2230a_100000738227_100000708592 [0,1,0,0,0,0|2,1,0]=4 715 B14R1.715 CNC(=O)CCNCc1ccc(s1)Br 270004a_100000738227_100000179771 [0,1,0,0,0,0|2,1,0]=4 716 B14R1.715 CNC(=O)CCNCc1ccc(s1)Br 34a_100000738227_100000708592 [0,1,0,0,0,0|2,1,0]=4 717 B14R1.715 CNC(=O)CCNCc1ccc(s1)C 207a_100000738227_100000211121 [0,1,0,0,0,0|2,1,0]=4 718 B14R1.715 CNC(=O)CCNCc1ccc(s1)C 2230a_100000238518_100000737683 [0,1,0,0,0,0|2,1,0]=4 719 B14R1.715 CNC(=O)CCNCc1ccc(s1)C 270004a_100000738227_100000211121 [0,1,0,0,0,0|2,1,0]=4 720 B14R1.715 CNC(=O)CCNCc1ccc(s1)Cl 207a_100000738227_100000242774 [0,1,0,0,0,0|2,1,0]=4 721 B14R1.715 CNC(=O)CCNCc1ccc(s1)Cl 2230a_100000737310_100000737683 [0,1,0,0,0,0|2,1,0]=4 722 B14R1.715 CNC(=O)CCNCc1ccc(s1)Cl 2230a_100000738227_100000185097 [0,1,0,0,0,0|2,1,0]=4 723 B14R1.715 CNC(=O)CCNCc1ccc(s1)Cl 270004a_100000738227_100000242774 [0,1,0,0,0,0|2,1,0]=4 724 B14R1.715 CNC(=O)CCNCc1ccc(s1)Cl 34a_100000738227_100000185097 [0,1,0,0,0,0|2,1,0]=4 725 B14R1.715 CNC(=O)CCNCc1cnc(o1)C 207a_100000738227_100000084308 [0,1,0,0,0,0|3,0,0]=4 726 B14R1.715 CNC(=O)CCNCc1cnc(o1)C 270004a_100000738227_100000084308 [0,1,0,0,0,0|3,0,0]=4 727 B14R1.715 CNC(=O)CCNCc1ncc(o1)C 2230a_100138411809_100000737683 [0,1,0,0,0,0|3,0,0]=4 728 B14R1.715 CNC(=O)CCNCc1ncc(o1)C 34a_100138411809_100012179268 [0,1,0,0,0,0|3,0,0]=4 729 B14R1.715 CNC(=O)CCOCc1cc(cs1)Br 34a_100000238369_100012179268 [0,1,0,0,0,0|1,2,0]=4 730 B14R1.715 CNC(=O)CCOCc1cc(cs1)Br 34a_100000754576_100000746031 [0,1,0,0,0,0|1,2,0]=4 731 B14R1.715 CNC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100000737683 [0,1,0,0,0,0|1,2,0]=4 732 B14R1.715 CNC(=O)CCOCc1cc(cs1)C 34a_200000068372_100012179268 [0,1,0,0,0,0|1,2,0]=4 733 B14R1.715 CNC(=O)CCOCc1cc(cs1)C 7a_200000068372_100000737683 [0,1,0,0,0,0|1,2,0]=4 734 B14R1.715 CNC(=O)CCOCc1cc(no1)Br 34a_100009816691_100012179268 [0,1,0,0,0,0|2,1,0]=4 735 B14R1.715 CNC(=O)CCOCc1cc(no1)C 34a_100000684692_100012179268 [0,1,0,0,0,0|2,1,0]=4 736 B14R1.715 CNC(=O)CCOCc1cc(no1)C 34a_100000754576_100000707947 [0,1,0,0,0,0|2,1,0]=4 737 B14R1.715 CNC(=O)CCOCc1ccc(o1)Br 34a_100000246276_100012179268 [0,1,0,0,0,0|1,1,0]=3 738 B14R1.715 CNC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000737683 [0,1,0,0,0,0|1,1,0]=3 739 B14R1.715 CNC(=O)CCOCc1ccc(o1)C 34a_100011232665_100012179268 [0,1,0,0,0,0|1,1,0]=3 740 B14R1.715 CNC(=O)CCOCc1ccc(o1)C 7a_100011232665_100000737683 [0,1,0,0,0,0|1,1,0]=3 741 B14R1.715 CNC(=O)CCOCc1ccc(s1)Br 34a_100000754576_100000708592 [0,1,0,0,0,0|1,2,0]=4 742 B14R1.715 CNC(=O)CCOCc1ccc(s1)C 34a_100000238367_100012179268 [0,1,0,0,0,0|1,2,0]=4 743 B14R1.715 CNC(=O)CCOCc1ccc(s1)Cl 34a_100000754576_100000185097 [0,1,0,0,0,0|1,2,0]=4 744 B14R1.715 CNC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000737683 [0,1,0,0,0,0|3,0,0]=4 745 B14R1.715 CNC(=O)CCSCC1=CC(=O)OC1 62a_100000737683_100000716558 [0,1,0,0,0,0|3,0,0]=4 746 B14R1.715 CNC(=O)CCSCc1cc(cs1)Br 62a_100000737683_100000746031 [0,1,0,0,0,0|1,1,0]=3 747 B14R1.715 CNC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000737683 [0,1,0,0,0,0|1,1,0]=3 748 B14R1.715 CNC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000737683 [0,1,0,0,0,0|2,0,0]=3 749 B14R1.715 CNC(=O)CCSCc1cc(no1)Br 62a_100000737683_100000709089 [0,1,0,0,0,0|2,0,0]=3 750 B14R1.715 CNC(=O)CCSCc1cc(no1)C 62a_100000707947_100000737683 [0,1,0,0,0,0|2,0,0]=3 751 B14R1.715 CNC(=O)CCSCc1cc(no1)C 62a_100000737683_100000707947 [0,1,0,0,0,0|2,0,0]=3 752 B14R1.715 CNC(=O)CCSCc1cc(on1)C 62a_100000199038_100000737683 [0,1,0,0,0,0|3,0,0]=4 753 B14R1.715 CNC(=O)CCSCc1cc(on1)C 62a_100000737683_100000199038 [0,1,0,0,0,0|3,0,0]=4 754 B14R1.715 CNC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000737683 [0,1,0,0,0,0|1,1,0]=3 755 B14R1.715 CNC(=O)CCSCc1ccc(s1)Br 62a_100000737683_100000708592 [0,1,0,0,0,0|1,1,0]=3 756 B14R1.715 CNC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000737683 [0,1,0,0,0,0|1,1,0]=3 757 B14R1.715 CNC(=O)CCSCc1ccc(s1)Cl 62a_100000737683_100000185097 [0,1,0,0,0,0|1,1,0]=3 758 B14R1.715 CNC(=O)CCSCc1ccn(n1)C 62a_100000726502_100000737683 [0,1,0,0,0,0|3,0,0]=4 759 B14R1.715 CNC(=O)CCSCc1ccn(n1)C 62a_100000737683_100000726502 [0,1,0,0,0,0|3,0,0]=4 760 B14R1.715 CNC(=O)CCSCc1cn(cn1)C 62a_100000717665_100000737683 [0,1,0,0,0,0|3,0,0]=4 761 B14R1.715 CNC(=O)CCSCc1cn(cn1)C 62a_100000737683_100000717665 [0,1,0,0,0,0|3,0,0]=4 762 B14R1.715 CNC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000737683 [0,1,0,0,0,0|2,1,0]=4 763 B14R1.715 CNC(=O)CCSCc1cnc(s1)Br 62a_100000737683_100000717027 [0,1,0,0,0,0|2,1,0]=4 764 B14R1.715 CNC(=O)CCSCc1cnc(s1)C 62a_100000737683_100020635045 [0,1,0,0,0,0|2,1,0]=4 765 B14R1.715 CNC(=O)CCSCc1cnc(s1)C 62a_100020635045_100000737683 [0,1,0,0,0,0|2,1,0]=4 766 B14R1.715 CNC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000737683 [0,1,0,0,0,0|2,1,0]=4 767 B14R1.715 CNC(=O)CCSCc1cnc(s1)Cl 62a_100000737683_100000058068 [0,1,0,0,0,0|2,1,0]=4 768 B14R1.715 CNC(=O)CCSCc1csc(n1)C 11a_106832991635_100000230772 [0,1,0,0,0,0|3,0,0]=4 769 B14R1.715 CNC(=O)CCSCc1csc(n1)C 1626a_100102657272_100000230772 [0,1,0,0,0,0|3,0,0]=4 770 B14R1.715 CNC(=O)CCSCc1csc(n1)C 240690a_100102657272_100000230772 [0,1,0,0,0,0|3,0,0]=4 771 B14R1.715 CNC(=O)CCSCc1csc(n1)C 62a_100000737683_100015186478 [0,1,0,0,0,0|3,0,0]=4 772 B14R1.715 CNC(=O)CCSCc1csc(n1)C 62a_100015186478_100000737683 [0,1,0,0,0,0|3,0,0]=4 773 B14R1.715 CNC(=O)CCSCc1csc(n1)Cl 62a_100000024076_100000737683 [0,1,0,0,0,0|3,0,0]=4 774 B14R1.715 CNC(=O)CCSCc1csc(n1)Cl 62a_100000737683_100000024076 [0,1,0,0,0,0|3,0,0]=4 775 B14R1.715 CNC(=O)CCSCc1nc(no1)C 62a_100000735555_100000737683 [0,1,0,0,0,0|3,0,0]=4 776 B14R1.715 CNC(=O)CCSCc1nc(no1)C 62a_100000737683_100000735555 [0,1,0,0,0,0|3,0,0]=4 777 B14R1.715 CNC(=O)CCSCc1nnc(o1)C 62a_100000181450_100000737683 [0,1,0,0,0,0|3,0,0]=4 778 B14R1.715 CNC(=O)CCSCc1nnc(o1)C 62a_100000737683_100000181450 [0,1,0,0,0,0|3,0,0]=4 779 B14R1.715 CNC(=O)CNCCc1ccc(o1)C 2230a_100000739271_100000183359 [0,1,0,0,0,0|3,0,0]=4 780 B14R1.715 CNC(=O)CNCCc1ccc(o1)C 34a_100000739271_100000183359 [0,1,0,0,0,0|3,0,0]=4 781 B14R1.715 CNC(=O)COCCc1ccc(o1)C 34a_100012161071_100000183359 [0,1,0,0,0,0|3,0,0]=4 782 B14R1.715 CNC(=O)COCCc1ccc(o1)C 7a_100012161071_100000183359 [0,1,0,0,0,0|3,0,0]=4 783 B14R1.715 COC(=O)CCCCc1nc(no1)C 270196a_100000212224_100000695723 [0,1,0,0,0,0|3,0,0]=4 784 B14R1.715 COC(=O)CCCSc1cc(cs1)C 62a_100009876951_100011218270 [0,1,0,0,0,0|2,1,0]=4 785 B14R1.715 COC(=O)CCCSc1cc(cs1)C 62a_100011218270_100009876951 [0,1,0,0,0,0|2,1,0]=4 786 B14R1.715 COC(=O)CCCSc1ccc(s1)Br 62a_100010197418_100011218270 [0,1,0,0,0,0|2,1,0]=4 787 B14R1.715 COC(=O)CCCSc1ccc(s1)Br 62a_100011218270_100010197418 [0,1,0,0,0,0|2,1,0]=4 788 B14R1.715 COC(=O)CCCSc1ccc(s1)C 62a_100000031368_100011218270 [0,1,0,0,0,0|2,1,0]=4 789 B14R1.715 COC(=O)CCCSc1ccc(s1)C 62a_100011218270_100000031368 [0,1,0,0,0,0|2,1,0]=4 790 B14R1.715 COC(=O)CCNCc1cc(cs1)Br 2230a_100000741024_100000204255 [0,1,0,0,0,0|1,1,0]=3 791 B14R1.715 COC(=O)CCNCc1cc(cs1)Br 34a_100000741024_100000742370 [0,1,0,0,0,0|1,1,0]=3 792 B14R1.715 COC(=O)CCNCc1cc(cs1)C 2230a_100015204214_100000204255 [0,1,0,0,0,0|1,1,0]=3 793 B14R1.715 COC(=O)CCNCc1cc(cs1)C 34a_100015204214_100000742370 [0,1,0,0,0,0|1,1,0]=3 794 B14R1.715 COC(=O)CCNCc1cc(no1)Br 2230a_100015193020_100000204255 [0,1,0,0,0,0|2,0,0]=3 795 B14R1.715 COC(=O)CCNCc1cc(no1)Br 34a_100015193020_100000742370 [0,1,0,0,0,0|2,0,0]=3 796 B14R1.715 COC(=O)CCNCc1cc(no1)C 2230a_100000745748_100000204255 [0,1,0,0,0,0|2,0,0]=3 797 B14R1.715 COC(=O)CCNCc1cc(no1)C 34a_100000745748_100000742370 [0,1,0,0,0,0|2,0,0]=3 798 B14R1.715 COC(=O)CCNCc1cc(on1)C 2230a_100000745230_100000204255 [0,1,0,0,0,0|3,0,0]=4 799 B14R1.715 COC(=O)CCNCc1cc(on1)C 34a_100000745230_100000742370 [0,1,0,0,0,0|3,0,0]=4 800 B14R1.715 COC(=O)CCNCc1ccc(o1)Br 34a_100000708654_100000742370 [0,1,0,0,0,0|1,0,0]=2 801 B14R1.715 COC(=O)CCNCc1ccc(o1)C 34a_100011194323_100000742370 [0,1,0,0,0,0|1,0,0]=2 802 B14R1.715 COC(=O)CCNCc1ccc(s1)C 2230a_100000238518_100000204255 [0,1,0,0,0,0|1,1,0]=3 803 B14R1.715 COC(=O)CCNCc1ccc(s1)Cl 2230a_100000737310_100000204255 [0,1,0,0,0,0|1,1,0]=3 804 B14R1.715 COC(=O)CCNCc1ccn(n1)C 2230a_100020636201_100000204255 [0,1,0,0,0,0|3,0,0]=4 805 B14R1.715 COC(=O)CCNCc1ccn(n1)C 34a_100020636201_100000742370 [0,1,0,0,0,0|3,0,0]=4 806 B14R1.715 COC(=O)CCNCc1cnc(s1)Br 2230a_100000726991_100000204255 [0,1,0,0,0,0|2,1,0]=4 807 B14R1.715 COC(=O)CCNCc1cnc(s1)C 2230a_200000743601_100000204255 [0,1,0,0,0,0|2,1,0]=4 808 B14R1.715 COC(=O)CCNCc1cnc(s1)Cl 2230a_100000726635_100000204255 [0,1,0,0,0,0|2,1,0]=4 809 B14R1.715 COC(=O)CCNCc1csc(n1)C 34a_100000707933_100000742370 [0,1,0,0,0,0|3,0,0]=4 810 B14R1.715 COC(=O)CCNCc1nc(cs1)C 2230a_100015183719_100000204255 [0,1,0,0,0,0|2,1,0]=4 811 B14R1.715 COC(=O)CCNCc1ncc(o1)C 2230a_100138411809_100000204255 [0,1,0,0,0,0|2,0,0]=3 812 B14R1.715 COC(=O)CCNCc1ncc(o1)C 34a_100138411809_100000742370 [0,1,0,0,0,0|2,0,0]=3 813 B14R1.715 COC(=O)CCNCc1nnc(o1)C 2230a_200000236979_100000204255 [0,1,0,0,0,0|3,0,0]=4 814 B14R1.715 COC(=O)CCNCc1nnc(o1)C 34a_200000236979_100000742370 [0,1,0,0,0,0|3,0,0]=4 815 B14R1.715 COC(=O)CCOCc1cc(cs1)Br 34a_100000238369_100000742370 [0,1,0,0,0,0|0,2,0]=3 816 B14R1.715 COC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100000204255 [0,1,0,0,0,0|0,2,0]=3 817 B14R1.715 COC(=O)CCOCc1cc(cs1)C 34a_200000068372_100000742370 [0,1,0,0,0,0|0,2,0]=3 818 B14R1.715 COC(=O)CCOCc1cc(cs1)C 7a_200000068372_100000204255 [0,1,0,0,0,0|0,2,0]=3 819 B14R1.715 COC(=O)CCOCc1cc(no1)Br 34a_100009816691_100000742370 [0,1,0,0,0,0|1,1,0]=3 820 B14R1.715 COC(=O)CCOCc1cc(no1)C 34a_100000684692_100000742370 [0,1,0,0,0,0|1,1,0]=3 821 B14R1.715 COC(=O)CCOCc1cc(on1)C 34a_100011216401_100000742370 [0,1,0,0,0,0|2,1,0]=4 822 B14R1.715 COC(=O)CCOCc1ccc(o1)Br 34a_100000246276_100000742370 [0,1,0,0,0,0|0,1,0]=2 823 B14R1.715 COC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000204255 [0,1,0,0,0,0|0,1,0]=2 824 B14R1.715 COC(=O)CCOCc1ccc(o1)C 34a_100011232665_100000742370 [0,1,0,0,0,0|0,1,0]=2 825 B14R1.715 COC(=O)CCOCc1ccc(o1)C 7a_100011232665_100000204255 [0,1,0,0,0,0|0,1,0]=2 826 B14R1.715 COC(=O)CCOCc1ccc(s1)C 34a_100000238367_100000742370 [0,1,0,0,0,0|0,2,0]=3 827 B14R1.715 COC(=O)CCOCc1ccn(n1)C 34a_100000744484_100000742370 [0,1,0,0,0,0|2,1,0]=4 828 B14R1.715 COC(=O)CCOCc1cn(cn1)C 34a_100000710007_100000742370 [0,1,0,0,0,0|2,1,0]=4 829 B14R1.715 COC(=O)CCOCc1cnc(s1)Br 7a_100009816753_100000204255 [0,1,0,0,0,0|1,2,0]=4 830 B14R1.715 COC(=O)CCOCc1cnc(s1)C 7a_100000743366_100000204255 [0,1,0,0,0,0|1,2,0]=4 831 B14R1.715 COC(=O)CCOCc1cnc(s1)Cl 7a_100000697714_100000204255 [0,1,0,0,0,0|1,2,0]=4 832 B14R1.715 COC(=O)CCOCc1cnc(s1)N 7a_100011997359_100000204255 [0,1,0,0,0,0|1,2,0]=4 833 B14R1.715 COC(=O)CCOCc1coc(n1)C 34a_100012017233_100000742370 [0,1,0,0,0,0|2,1,0]=4 834 B14R1.715 COC(=O)CCOCc1csc(c1)Cl 34a_100009863405_100000742370 [0,1,0,0,0,0|2,1,0]=4 835 B14R1.715 COC(=O)CCOCc1csc(c1)Cl 7a_100009863405_100000204255 [0,1,0,0,0,0|2,1,0]=4 836 B14R1.715 COC(=O)CCOCc1csc(n1)C 34a_100000735831_100000742370 [0,1,0,0,0,0|2,1,0]=4 837 B14R1.715 COC(=O)CCOCc1nc(cs1)Br 7a_100012000107_100000204255 [0,1,0,0,0,0|1,2,0]=4 838 B14R1.715 COC(=O)CCOCc1nc(no1)C 34a_100000749583_100000742370 [0,1,0,0,0,0|2,1,0]=4 839 B14R1.715 COC(=O)CCOCc1nnc(o1)C 34a_100000749586_100000742370 [0,1,0,0,0,0|2,1,0]=4 840 B14R1.715 COC(=O)CCOCn1cc(cn1)Cl 34a_100000732729_100000742370 [0,1,0,0,0,0|2,1,0]=4 841 B14R1.715 COC(=O)CCSCC1=CC(=O)OC1 62a_100000204255_100000716558 [0,1,0,0,0,0|2,0,0]=3 842 B14R1.715 COC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000204255 [0,1,0,0,0,0|2,0,0]=3 843 B14R1.715 COC(=O)CCSCC1CNC(=O)O1 62a_100000181169_100000204255 [0,1,0,0,0,0|1,0,2]=4 844 B14R1.715 COC(=O)CCSCC1CNC(=O)O1 62a_100000204255_100000181169 [0,1,0,0,0,0|1,0,2]=4 845 B14R1.715 COC(=O)CCSCC1COC(=O)O1 62a_100000073702_100000204255 [0,1,0,0,0,0|1,0,2]=4 846 B14R1.715 COC(=O)CCSCC1COC(=O)O1 62a_100000204255_100000073702 [0,1,0,0,0,0|1,0,2]=4 847 B14R1.715 COC(=O)CCSCc1cc(cs1)Br 62a_100000204255_100000746031 [0,1,0,0,0,0|0,1,0]=2 848 B14R1.715 COC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000204255 [0,1,0,0,0,0|0,1,0]=2 849 B14R1.715 COC(=O)CCSCc1cc(no1)Br 62a_100000204255_100000709089 [0,1,0,0,0,0|1,0,0]=2 850 B14R1.715 COC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000204255 [0,1,0,0,0,0|1,0,0]=2 851 B14R1.715 COC(=O)CCSCc1cc(no1)C 62a_100000204255_100000707947 [0,1,0,0,0,0|1,0,0]=2 852 B14R1.715 COC(=O)CCSCc1cc(no1)C 62a_100000707947_100000204255 [0,1,0,0,0,0|1,0,0]=2 853 B14R1.715 COC(=O)CCSCc1cc(on1)C 62a_100000199038_100000204255 [0,1,0,0,0,0|2,0,0]=3 854 B14R1.715 COC(=O)CCSCc1cc(on1)C 62a_100000204255_100000199038 [0,1,0,0,0,0|2,0,0]=3 855 B14R1.715 COC(=O)CCSCc1ccc(s1)Br 62a_100000204255_100000708592 [0,1,0,0,0,0|0,1,0]=2 856 B14R1.715 COC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000204255 [0,1,0,0,0,0|0,1,0]=2 857 B14R1.715 COC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000204255 [0,1,0,0,0,0|0,1,0]=2 858 B14R1.715 COC(=O)CCSCc1ccc(s1)Cl 62a_100000204255_100000185097 [0,1,0,0,0,0|0,1,0]=2 859 B14R1.715 COC(=O)CCSCc1ccn(n1)C 62a_100000204255_100000726502 [0,1,0,0,0,0|2,0,0]=3 860 B14R1.715 COC(=O)CCSCc1ccn(n1)C 62a_100000726502_100000204255 [0,1,0,0,0,0|2,0,0]=3 861 B14R1.715 COC(=O)CCSCc1cn(cn1)C 62a_100000204255_100000717665 [0,1,0,0,0,0|2,0,0]=3 862 B14R1.715 COC(=O)CCSCc1cn(cn1)C 62a_100000717665_100000204255 [0,1,0,0,0,0|2,0,0]=3 863 B14R1.715 COC(=O)CCSCc1cnc(s1)Br 62a_100000204255_100000717027 [0,1,0,0,0,0|1,1,0]=3 864 B14R1.715 COC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000204255 [0,1,0,0,0,0|1,1,0]=3 865 B14R1.715 COC(=O)CCSCc1cnc(s1)C 62a_100000204255_100020635045 [0,1,0,0,0,0|1,1,0]=3 866 B14R1.715 COC(=O)CCSCc1cnc(s1)C 62a_100020635045_100000204255 [0,1,0,0,0,0|1,1,0]=3 867 B14R1.715 COC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000204255 [0,1,0,0,0,0|1,1,0]=3 868 B14R1.715 COC(=O)CCSCc1cnc(s1)Cl 62a_100000204255_100000058068 [0,1,0,0,0,0|1,1,0]=3 869 B14R1.715 COC(=O)CCSCc1cnn(c1)C 62a_100000204255_100000744441 [0,1,0,0,0,0|3,0,0]=4 870 B14R1.715 COC(=O)CCSCc1cnn(c1)C 62a_100000744441_100000204255 [0,1,0,0,0,0|3,0,0]=4 871 B14R1.715 COC(=O)CCSCc1csc(n1)C 62a_100000204255_100015186478 [0,1,0,0,0,0|2,0,0]=3 872 B14R1.715 COC(=O)CCSCc1csc(n1)C 62a_100015186478_100000204255 [0,1,0,0,0,0|2,0,0]=3 873 B14R1.715 COC(=O)CCSCc1csc(n1)Cl 62a_100000024076_100000204255 [0,1,0,0,0,0|2,0,0]=3 874 B14R1.715 COC(=O)CCSCc1csc(n1)Cl 62a_100000204255_100000024076 [0,1,0,0,0,0|2,0,0]=3 875 B14R1.715 COC(=O)CCSCc1n[nH]c(=O)[nH]1 62a_100000204255_100000754189 [0,1,0,0,0,0|3,0,0]=4 876 B14R1.715 COC(=O)CCSCc1nc(no1)C 62a_100000204255_100000735555 [0,1,0,0,0,0|2,0,0]=3 877 B14R1.715 COC(=O)CCSCc1nc(no1)C 62a_100000735555_100000204255 [0,1,0,0,0,0|2,0,0]=3 878 B14R1.715 COC(=O)CCSCc1ncn(n1)C 62a_100000204255_100016995526 [0,1,0,0,0,0|3,0,0]=4 879 B14R1.715 COC(=O)CCSCc1ncn(n1)C 62a_100016995526_100000204255 [0,1,0,0,0,0|3,0,0]=4 880 B14R1.715 COC(=O)CCSCc1nnc(o1)C 62a_100000181450_100000204255 [0,1,0,0,0,0|2,0,0]=3 881 B14R1.715 COC(=O)CCSCc1nnc(o1)C 62a_100000204255_100000181450 [0,1,0,0,0,0|2,0,0]=3 882 B14R1.715 COC(=O)CCSCc1nnc(s1)C 62a_100000204255_100000688753 [0,1,0,0,0,0|2,1,0]=4 883 B14R1.715 COC(=O)CCSCc1nnc(s1)C 62a_100000688753_100000204255 [0,1,0,0,0,0|2,1,0]=4 884 B14R1.715 COC(=O)CCSCc1noc(n1)C 62a_100000204255_100000231061 [0,1,0,0,0,0|3,0,0]=4 885 B14R1.715 COC(=O)CCSCc1noc(n1)C 62a_100000231061_100000204255 [0,1,0,0,0,0|3,0,0]=4 886 B14R1.715 COC(=O)CCSCc1nsc(n1)Cl 62a_100000043760_100000204255 [0,1,0,0,0,0|3,0,0]=4 887 B14R1.715 COC(=O)CCSCc1nsc(n1)Cl 62a_100000204255_100000043760 [0,1,0,0,0,0|3,0,0]=4 888 B14R1.715 COC(=O)CNCCc1ccc(o1)C 2230a_100000739271_100000747449 [0,1,0,0,0,0|2,0,0]=3 889 B14R1.715 COC(=O)CNCCc1ccc(o1)C 34a_100000739271_100000747449 [0,1,0,0,0,0|2,0,0]=3 890 B14R1.715 COC(=O)CNCCc1ccc(s1)Br 2230a_100000217605_100000747449 [0,1,0,0,0,0|2,1,0]=4 891 B14R1.715 COC(=O)COCCc1cc(no1)Br 34a_100009816916_100000747449 [0,1,0,0,0,0|3,0,0]=4 892 B14R1.715 COC(=O)COCCc1ccc(o1)C 34a_100012161071_100000747449 [0,1,0,0,0,0|2,0,0]=3 893 B14R1.715 COC(=O)COCCc1ccc(o1)C 7a_100012161071_100000747449 [0,1,0,0,0,0|2,0,0]=3 894 B14R1.715 COC(=O)OCSCC1=CC(=O)OC1 62a_100000716558_100000139417 [0,1,0,0,0,0|3,0,0]=4 895 B14R1.715 COC(=O)OCSCc1cc(cs1)Br 62a_100000746031_100000139417 [0,1,0,0,0,0|1,1,0]=3 896 B14R1.715 COC(=O)OCSCc1cc(no1)Br 62a_100000709089_100000139417 [0,1,0,0,0,0|2,0,0]=3 897 B14R1.715 COC(=O)OCSCc1cc(no1)C 62a_100000707947_100000139417 [0,1,0,0,0,0|2,0,0]=3 898 B14R1.715 COC(=O)OCSCc1cc(on1)C 62a_100000199038_100000139417 [0,1,0,0,0,0|3,0,0]=4 899 B14R1.715 COC(=O)OCSCc1ccc(s1)Br 62a_100000708592_100000139417 [0,1,0,0,0,0|1,1,0]=3 900 B14R1.715 COC(=O)OCSCc1ccc(s1)Cl 62a_100000185097_100000139417 [0,1,0,0,0,0|1,1,0]=3 901 B14R1.715 COC(=O)OCSCc1ccn(n1)C 62a_100000726502_100000139417 [0,1,0,0,0,0|3,0,0]=4 902 B14R1.715 COC(=O)OCSCc1cn(cn1)C 62a_100000717665_100000139417 [0,1,0,0,0,0|3,0,0]=4 903 B14R1.715 COC(=O)OCSCc1cnc(s1)Br 62a_100000717027_100000139417 [0,1,0,0,0,0|2,1,0]=4 904 B14R1.715 COC(=O)OCSCc1cnc(s1)C 62a_100020635045_100000139417 [0,1,0,0,0,0|2,1,0]=4 905 B14R1.715 COC(=O)OCSCc1cnc(s1)Cl 62a_100000058068_100000139417 [0,1,0,0,0,0|2,1,0]=4 906 B14R1.715 COC(=O)OCSCc1csc(n1)C 62a_100015186478_100000139417 [0,1,0,0,0,0|3,0,0]=4 907 B14R1.715 COC(=O)OCSCc1csc(n1)Cl 62a_100000024076_100000139417 [0,1,0,0,0,0|3,0,0]=4 908 B14R1.715 COC(=O)OCSCc1nc(no1)C 62a_100000735555_100000139417 [0,1,0,0,0,0|3,0,0]=4 909 B14R1.715 COC(=O)OCSCc1nnc(o1)C 62a_100000181450_100000139417 [0,1,0,0,0,0|3,0,0]=4 910 B14R1.729 CCC(=O)CCNC(=O)c1ccco1 1458a_100000184273_100000210202 [0,1,0,0,0,0|2,0,1]=4 911 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 11a_106832991635_100000184273 [0,1,0,0,0,0|2,0,1]=4 912 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 1626a_100102657272_100000184273 [0,1,0,0,0,0|2,0,1]=4 913 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 240690a_100102657272_100000184273 [0,1,0,0,0,0|2,0,1]=4 914 B14R1.729 CNC(=O)CCNC(=O)c1ccco1 527a_100102657272_100000184273 [0,1,0,0,0,0|2,0,1]=4 915 B14R1.729 CNC(=O)CCNC(C)c1ccc[nH]1 269862a_100000738227_100000183661 [0,1,0,0,0,0|3,0,0]=4 916 B14R1.729 CNC(=O)CCNC(C)c1cccs1 2230a_100000703493_100000737683 [0,1,0,0,0,0|2,1,0]=4 917 B14R1.729 CNC(=O)CCNC(C)c1cccs1 269862a_100000738227_100000185736 [0,1,0,0,0,0|2,1,0]=4 918 B14R1.729 CNC(=O)CCN[C@H](C)c1ccco1 2230a_100160469435_100000737683 [0,1,0,0,0,0|2,0,0]=3 919 B14R1.729 CNC(=O)CCO[C@@H](C)c1ccco1 34a_100000755270_100012179268 [0,1,0,0,0,0|1,1,0]=3 920 B14R1.729 CNC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000737683 [0,1,0,0,0,0|1,1,0]=3 921 B14R1.729 CNC(=O)CCO[C@H](C)c1cccs1 7a_100000750433_100000737683 [0,1,0,0,0,0|1,2,0]=4 922 B14R1.729 CNC(=O)CNCC(O)c1ccco1 2230a_100000738650_100000183359 [0,1,0,0,0,0|3,0,0]=4 923 B14R1.729 COC(=O)CCNC(C)c1cccs1 2230a_100000703493_100000204255 [0,1,0,0,0,0|1,1,0]=3 924 B14R1.729 COC(=O)CCNC(C)c1ccoc1 2230a_100000690049_100000204255 [0,1,0,0,0,0|3,0,0]=4 925 B14R1.729 COC(=O)CCNC(C)c1ccsc1 2230a_100000748604_100000204255 [0,1,0,0,0,0|3,0,0]=4 926 B14R1.729 COC(=O)CCNC(C)c1nccs1 2230a_100000725601_100000204255 [0,1,0,0,0,0|2,1,0]=4 927 B14R1.729 COC(=O)CCN[C@H](C)c1ccco1 2230a_100160469435_100000204255 [0,1,0,0,0,0|1,0,0]=2 928 B14R1.729 COC(=O)CCOC(C)c1ccsc1 34a_100011350980_100000742370 [0,1,0,0,0,0|2,1,0]=4 929 B14R1.729 COC(=O)CCOC(C)c1ccsc1 7a_100011350980_100000204255 [0,1,0,0,0,0|2,1,0]=4 930 B14R1.729 COC(=O)CCOC(C)c1nccs1 7a_100000751044_100000204255 [0,1,0,0,0,0|1,2,0]=4 931 B14R1.729 COC(=O)CCO[C@@H](C)c1ccco1 34a_100000755270_100000742370 [0,1,0,0,0,0|0,1,0]=2 932 B14R1.729 COC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000204255 [0,1,0,0,0,0|0,1,0]=2 933 B14R1.729 COC(=O)CCO[C@H](C)c1cccs1 7a_100000750433_100000204255 [0,1,0,0,0,0|0,2,0]=3 934 B14R1.729 COC(=O)CNCC(O)c1ccco1 2230a_100000738650_100000747449 [0,1,0,0,0,0|2,0,0]=3 935 B14R1.729 COC(=O)COCC(N)c1cccs1 34a_100102422791_100000747449 [0,1,0,0,0,0|2,1,0]=4 936 B14R1.729 COC(=O)CSCC(=O)c1ccco1 62a_100000211439_100000747449 [0,1,0,0,0,0|2,0,1]=4 937 B14R1.729 COC(=O)CSCC(=O)c1ccco1 62a_100000747449_100000211439 [0,1,0,0,0,0|2,0,1]=4 938 B14R1.731 CCC(=O)COC(C)Cc1ccco1 7a_100011803939_100000747405 [0,1,0,0,0,0|3,0,0]=4 939 B14R1.731 CNC(=O)CCC(=O)Cc1ncco1 1458a_100011309844_103436540062 [0,1,0,0,0,0|3,0,0]=4 940 B14R1.731 CNC(=O)CCN(C)Cc1ccco1 2230a_100000185268_100000737683 [0,1,0,0,0,0|2,0,0]=3 941 B14R1.731 CNC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000737683 [0,1,0,0,0,0|2,0,0]=3 942 B14R1.731 CNC(=O)CCN(C)Cc1ccco1 270004a_100000750875_100000186105 [0,1,0,0,0,0|2,0,0]=3 943 B14R1.731 CNC(=O)CCN(C)Cc1cccs1 2230a_100000184426_100000737683 [0,1,0,0,0,0|2,1,0]=4 944 B14R1.731 CNC(=O)CCN(C)Cc1cccs1 269982a_100000184426_100000737683 [0,1,0,0,0,0|2,1,0]=4 945 B14R1.731 CNC(=O)CCN(C)Cc1cccs1 270004a_100000750875_100000209959 [0,1,0,0,0,0|2,1,0]=4 946 B14R1.731 CNC(=O)CCN(C)Cc1cnco1 270004a_100000750875_100000064291 [0,1,0,0,0,0|3,0,0]=4 947 B14R1.731 CNC(=O)CCN(C)Cc1ncco1 2230a_100000750875_103436540062 [0,1,0,0,0,0|3,0,0]=4 948 B14R1.731 CNC(=O)CCN(C)Cc1ncco1 269982a_100000750875_103436540062 [0,1,0,0,0,0|3,0,0]=4 949 B14R1.731 CNC(=O)CCN(C)Cc1ncco1 270004a_100000750875_100000064290 [0,1,0,0,0,0|3,0,0]=4 950 B14R1.731 CNC(=O)CNC(=O)Cc1ccco1 11a_100000693194_100011217309 [0,1,0,0,0,0|3,0,0]=4 951 B14R1.731 CNC(=O)CNC(=O)Cc1ccco1 527a_100000693194_100011217309 [0,1,0,0,0,0|3,0,0]=4 952 B14R1.731 CNC(=O)CNC(C)Cc1ccco1 270004a_100000693194_100011216958 [0,1,0,0,0,0|3,0,0]=4 953 B14R1.731 CNC(=O)COC(C)Cc1ccco1 34a_100011803939_100000183359 [0,1,0,0,0,0|3,0,0]=4 954 B14R1.731 CNC(=O)COC(C)Cc1ccco1 7a_100011803939_100000183359 [0,1,0,0,0,0|3,0,0]=4 955 B14R1.731 COC(=O)CCC(=O)Cc1c[nH]cn1 1458a_100000187943_100000707719 [0,1,0,0,0,0|3,0,0]=4 956 B14R1.731 COC(=O)CCC(=O)Cc1ccn[nH]1 1458a_100000187943_100000728653 [0,1,0,0,0,0|3,0,0]=4 957 B14R1.731 COC(=O)CCC(=O)Cc1ccon1 1458a_100000187943_100000234950 [0,1,0,0,0,0|3,0,0]=4 958 B14R1.731 COC(=O)CCC(=O)Cc1ccsc1 1458a_100000187943_100011233845 [0,1,0,0,0,0|3,0,0]=4 959 B14R1.731 COC(=O)CCC(=O)Cc1cncs1 1458a_100000187943_100015185245 [0,1,0,0,0,0|2,1,0]=4 960 B14R1.731 COC(=O)CCC(=O)Cc1cscn1 1458a_100000187943_100000205941 [0,1,0,0,0,0|3,0,0]=4 961 B14R1.731 COC(=O)CCC(=O)Cc1ncco1 1458a_100000187943_103436540062 [0,1,0,0,0,0|2,0,0]=3 962 B14R1.731 COC(=O)CCC(=O)Cc1nccs1 1458a_100000187943_100015184050 [0,1,0,0,0,0|2,1,0]=4 963 B14R1.731 COC(=O)CCN(C)Cc1c[nH]cn1 269982a_100025711912_100000707719 [0,1,0,0,0,0|3,0,0]=4 964 B14R1.731 COC(=O)CCN(C)Cc1ccco1 2230a_100000185268_100000204255 [0,1,0,0,0,0|1,0,0]=2 965 B14R1.731 COC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000204255 [0,1,0,0,0,0|1,0,0]=2 966 B14R1.731 COC(=O)CCN(C)Cc1cccs1 2230a_100000184426_100000204255 [0,1,0,0,0,0|1,1,0]=3 967 B14R1.731 COC(=O)CCN(C)Cc1cccs1 269982a_100000184426_100000204255 [0,1,0,0,0,0|1,1,0]=3 968 B14R1.731 COC(=O)CCN(C)Cc1ccn[nH]1 269982a_100025711912_100000728653 [0,1,0,0,0,0|3,0,0]=4 969 B14R1.731 COC(=O)CCN(C)Cc1ccon1 2230a_100000757864_100000204255 [0,1,0,0,0,0|3,0,0]=4 970 B14R1.731 COC(=O)CCN(C)Cc1ccon1 269982a_100000757864_100000204255 [0,1,0,0,0,0|3,0,0]=4 971 B14R1.731 COC(=O)CCN(C)Cc1ccon1 269982a_100025711912_100000234950 [0,1,0,0,0,0|3,0,0]=4 972 B14R1.731 COC(=O)CCN(C)Cc1ccsc1 2230a_100020654213_100000204255 [0,1,0,0,0,0|3,0,0]=4 973 B14R1.731 COC(=O)CCN(C)Cc1ccsc1 269982a_100020654213_100000204255 [0,1,0,0,0,0|3,0,0]=4 974 B14R1.731 COC(=O)CCN(C)Cc1ccsc1 269982a_100025711912_100011233845 [0,1,0,0,0,0|3,0,0]=4 975 B14R1.731 COC(=O)CCN(C)Cc1cncs1 269982a_100025711912_100015185245 [0,1,0,0,0,0|2,1,0]=4 976 B14R1.731 COC(=O)CCN(C)Cc1cscn1 2230a_100000225794_100000204255 [0,1,0,0,0,0|3,0,0]=4 977 B14R1.731 COC(=O)CCN(C)Cc1cscn1 269982a_100000225794_100000204255 [0,1,0,0,0,0|3,0,0]=4 978 B14R1.731 COC(=O)CCN(C)Cc1cscn1 269982a_100025711912_100000205941 [0,1,0,0,0,0|3,0,0]=4 979 B14R1.731 COC(=O)CCN(C)Cc1ncc[nH]1 2230a_100015184136_100000204255 [0,1,0,0,0,0|3,0,0]=4 980 B14R1.731 COC(=O)CCN(C)Cc1ncc[nH]1 269982a_100015184136_100000204255 [0,1,0,0,0,0|3,0,0]=4 981 B14R1.731 COC(=O)CCN(C)Cc1ncc[nH]1 269982a_100025711912_100016991755 [0,1,0,0,0,0|3,0,0]=4 982 B14R1.731 COC(=O)CCN(C)Cc1ncco1 269982a_100025711912_103436540062 [0,1,0,0,0,0|2,0,0]=3 983 B14R1.731 COC(=O)CCN(C)Cc1nccs1 2230a_100000765864_100000204255 [0,1,0,0,0,0|2,1,0]=4 984 B14R1.731 COC(=O)CCN(C)Cc1nccs1 269982a_100000765864_100000204255 [0,1,0,0,0,0|2,1,0]=4 985 B14R1.731 COC(=O)CCN(C)Cc1nccs1 269982a_100025711912_100015184050 [0,1,0,0,0,0|2,1,0]=4 986 B14R1.731 COC(=O)CNC(=O)Cc1ccc[nH]1 188690a_100000185156_100000238377 [0,1,0,0,0,0|3,0,0]=4 987 B14R1.731 COC(=O)CNC(=O)Cc1ccco1 188690a_100000185156_100011217309 [0,1,0,0,0,0|2,0,0]=3 988 B14R1.731 COC(=O)CNC(=O)Cc1cccs1 188690a_100000185156_100000210189 [0,1,0,0,0,0|2,1,0]=4 989 B14R1.731 COC(=O)CNC(C)Cc1cccs1 2230a_100000751415_100000747449 [0,1,0,0,0,0|2,1,0]=4 990 B14R1.731 COC(=O)COC(C)Cc1ccco1 34a_100011803939_100000747449 [0,1,0,0,0,0|2,0,0]=3 991 B14R1.731 COC(=O)COC(C)Cc1ccco1 7a_100011803939_100000747449 [0,1,0,0,0,0|2,0,0]=3 992 B14R1.731 COC(=O)NCC(=O)Cc1ncco1 1458a_100000215747_103436540062 [0,1,0,0,0,0|3,0,0]=4 993 B14R1.819 CNC(=O)CCNCc1cccn1C 270004a_100000738227_100000211633 [0,1,0,0,0,0|3,0,0]=4 994 B14R1.819 CNC(=O)CCNCc1cccn1C 34a_100011219357_100012179268 [0,1,0,0,0,0|3,0,0]=4 995 B14R1.819 CNC(=O)CCNCc1occc1Br 270004a_100000738227_100000756499 [0,1,0,0,0,0|2,0,0]=3 996 B14R1.819 CNC(=O)CCNCc1occc1C 207a_100000738227_100000763527 [0,1,0,0,0,0|2,0,0]=3 997 B14R1.819 CNC(=O)CCNCc1occc1C 270004a_100000738227_100000763527 [0,1,0,0,0,0|2,0,0]=3 998 B14R1.819 CNC(=O)CCNCc1sccc1Br 207a_100000738227_100000766043 [0,1,0,0,0,0|2,1,0]=4 999 B14R1.819 CNC(=O)CCNCc1sccc1Br 270004a_100000738227_100000766043 [0,1,0,0,0,0|2,1,0]=4 1000 B14R1.819 CNC(=O)CCNCc1sccc1C 207a_100000738227_100000210881 [0,1,0,0,0,0|2,1,0]=4 1001 B14R1.819 CNC(=O)CCNCc1sccc1C 2230a_100000238519_100000737683 [0,1,0,0,0,0|2,1,0]=4 1002 B14R1.819 CNC(=O)CCNCc1sccc1C 270004a_100000738227_100000210881 [0,1,0,0,0,0|2,1,0]=4 1003 B14R1.819 CNC(=O)CCNCc1sccc1C 34a_100000238519_100012179268 [0,1,0,0,0,0|2,1,0]=4 1004 B14R1.819 CNC(=O)CCNCc1sccc1Cl 207a_100000738227_100000722334 [0,1,0,0,0,0|2,1,0]=4 1005 B14R1.819 CNC(=O)CCNCc1sccc1Cl 2230a_100011934584_100000737683 [0,1,0,0,0,0|2,1,0]=4 1006 B14R1.819 CNC(=O)CCNCc1sccc1Cl 270004a_100000738227_100000722334 [0,1,0,0,0,0|2,1,0]=4 1007 B14R1.819 CNC(=O)CCNCc1sccc1Cl 34a_100011934584_100012179268 [0,1,0,0,0,0|2,1,0]=4 1008 B14R1.819 CNC(=O)CCOCc1occc1C 34a_100011273948_100012179268 [0,1,0,0,0,0|1,1,0]=3 1009 B14R1.819 CNC(=O)CCOCc1occc1C 7a_100011273948_100000737683 [0,1,0,0,0,0|1,1,0]=3 1010 B14R1.819 CNC(=O)CCOCc1ocnc1C 34a_100000717716_100012179268 [0,1,0,0,0,0|2,1,0]=4 1011 B14R1.819 CNC(=O)CCOCc1ocnc1C 7a_100000717716_100000737683 [0,1,0,0,0,0|2,1,0]=4 1012 B14R1.819 CNC(=O)CCOCc1oncc1C 34a_200011065769_100012179268 [0,1,0,0,0,0|2,1,0]=4 1013 B14R1.819 CNC(=O)CCOCc1sccc1Br 34a_100000702026_100012179268 [0,1,0,0,0,0|1,2,0]=4 1014 B14R1.819 CNC(=O)CCOCc1sccc1C 34a_100000238368_100012179268 [0,1,0,0,0,0|1,2,0]=4 1015 B14R1.819 CNC(=O)CCOCc1sccc1C 7a_100000238368_100000737683 [0,1,0,0,0,0|1,2,0]=4 1016 B14R1.819 CNC(=O)CCOCc1sccc1Cl 34a_100000722387_100012179268 [0,1,0,0,0,0|1,2,0]=4 1017 B14R1.819 CNC(=O)CCOCc1sccc1Cl 7a_100000722387_100000737683 [0,1,0,0,0,0|1,2,0]=4 1018 B14R1.819 CNC(=O)CCSCc1ccnn1C 62a_100000691648_100000737683 [0,1,0,0,0,0|3,0,0]=4 1019 B14R1.819 CNC(=O)CCSCc1ccnn1C 62a_100000737683_100000691648 [0,1,0,0,0,0|3,0,0]=4 1020 B14R1.819 CNC(=O)CCSCc1ccsc1Br 62a_100000737683_100009814289 [0,1,0,0,0,0|3,0,0]=4 1021 B14R1.819 CNC(=O)CCSCc1ccsc1Br 62a_100009814289_100000737683 [0,1,0,0,0,0|3,0,0]=4 1022 B14R1.819 CNC(=O)CCSCc1ccsc1Cl 62a_100000737683_100010167017 [0,1,0,0,0,0|3,0,0]=4 1023 B14R1.819 CNC(=O)CCSCc1ccsc1Cl 62a_100010167017_100000737683 [0,1,0,0,0,0|3,0,0]=4 1024 B14R1.819 CNC(=O)CCSCc1nc[nH]c1C 62a_100000737683_100000751220 [0,1,0,0,0,0|3,0,0]=4 1025 B14R1.819 CNC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000737683 [0,1,0,0,0,0|3,0,0]=4 1026 B14R1.819 CNC(=O)CCSCc1nccn1C 62a_100000700302_100000737683 [0,1,0,0,0,0|3,0,0]=4 1027 B14R1.819 CNC(=O)CCSCc1nccn1C 62a_100000737683_100000700302 [0,1,0,0,0,0|3,0,0]=4 1028 B14R1.819 CNC(=O)CCSCc1ncoc1C 62a_100000737683_200000693990 [0,1,0,0,0,0|3,0,0]=4 1029 B14R1.819 CNC(=O)CCSCc1ncoc1C 62a_200000693990_100000737683 [0,1,0,0,0,0|3,0,0]=4 1030 B14R1.819 COC(=O)CCCSc1sccc1Br 62a_100011218270_100012361411 [0,1,0,0,0,0|2,1,0]=4 1031 B14R1.819 COC(=O)CCCSc1sccc1Br 62a_100012361411_100011218270 [0,1,0,0,0,0|2,1,0]=4 1032 B14R1.819 COC(=O)CCCSc1sccc1C 62a_100010247149_100011218270 [0,1,0,0,0,0|2,1,0]=4 1033 B14R1.819 COC(=O)CCCSc1sccc1C 62a_100011218270_100010247149 [0,1,0,0,0,0|2,1,0]=4 1034 B14R1.819 COC(=O)CCNCc1cccn1C 34a_100011219357_100000742370 [0,1,0,0,0,0|2,0,0]=3 1035 B14R1.819 COC(=O)CCNCc1ccnn1C 34a_100025706696_100000742370 [0,1,0,0,0,0|3,0,0]=4 1036 B14R1.819 COC(=O)CCNCc1ccsc1Br 2230a_100000727803_100000204255 [0,1,0,0,0,0|3,0,0]=4 1037 B14R1.819 COC(=O)CCNCc1ccsc1Br 34a_100000727803_100000742370 [0,1,0,0,0,0|3,0,0]=4 1038 B14R1.819 COC(=O)CCNCc1nccn1C 2230a_100015186572_100000204255 [0,1,0,0,0,0|3,0,0]=4 1039 B14R1.819 COC(=O)CCNCc1sccc1C 2230a_100000238519_100000204255 [0,1,0,0,0,0|1,1,0]=3 1040 B14R1.819 COC(=O)CCNCc1sccc1C 34a_100000238519_100000742370 [0,1,0,0,0,0|1,1,0]=3 1041 B14R1.819 COC(=O)CCNCc1sccc1Cl 2230a_100011934584_100000204255 [0,1,0,0,0,0|1,1,0]=3 1042 B14R1.819 COC(=O)CCNCc1sccc1Cl 34a_100011934584_100000742370 [0,1,0,0,0,0|1,1,0]=3 1043 B14R1.819 COC(=O)CCNCc1scnc1C 2230a_100000752186_100000204255 [0,1,0,0,0,0|2,1,0]=4 1044 B14R1.819 COC(=O)CCOCc1ccnn1C 34a_100000684702_100000742370 [0,1,0,0,0,0|2,1,0]=4 1045 B14R1.819 COC(=O)CCOCc1ccoc1C 34a_100011219433_100000742370 [0,1,0,0,0,0|2,1,0]=4 1046 B14R1.819 COC(=O)CCOCc1ccoc1C 7a_100011219433_100000204255 [0,1,0,0,0,0|2,1,0]=4 1047 B14R1.819 COC(=O)CCOCc1ccsc1Br 34a_100009816922_100000742370 [0,1,0,0,0,0|2,1,0]=4 1048 B14R1.819 COC(=O)CCOCc1ccsc1Br 7a_100009816922_100000204255 [0,1,0,0,0,0|2,1,0]=4 1049 B14R1.819 COC(=O)CCOCc1cscc1Br 34a_100000724555_100000742370 [0,1,0,0,0,0|2,1,0]=4 1050 B14R1.819 COC(=O)CCOCc1nccn1C 7a_100000691215_100000204255 [0,1,0,0,0,0|2,1,0]=4 1051 B14R1.819 COC(=O)CCOCc1ncoc1C 34a_100012017639_100000742370 [0,1,0,0,0,0|2,1,0]=4 1052 B14R1.819 COC(=O)CCOCc1occc1C 34a_100011273948_100000742370 [0,1,0,0,0,0|0,1,0]=2 1053 B14R1.819 COC(=O)CCOCc1occc1C 7a_100011273948_100000204255 [0,1,0,0,0,0|0,1,0]=2 1054 B14R1.819 COC(=O)CCOCc1ocnc1C 34a_100000717716_100000742370 [0,1,0,0,0,0|1,1,0]=3 1055 B14R1.819 COC(=O)CCOCc1ocnc1C 7a_100000717716_100000204255 [0,1,0,0,0,0|1,1,0]=3 1056 B14R1.819 COC(=O)CCOCc1oncc1C 34a_200011065769_100000742370 [0,1,0,0,0,0|1,1,0]=3 1057 B14R1.819 COC(=O)CCOCc1sccc1Br 34a_100000702026_100000742370 [0,1,0,0,0,0|0,2,0]=3 1058 B14R1.819 COC(=O)CCOCc1sccc1C 34a_100000238368_100000742370 [0,1,0,0,0,0|0,2,0]=3 1059 B14R1.819 COC(=O)CCOCc1sccc1C 7a_100000238368_100000204255 [0,1,0,0,0,0|0,2,0]=3 1060 B14R1.819 COC(=O)CCOCc1sccc1Cl 34a_100000722387_100000742370 [0,1,0,0,0,0|0,2,0]=3 1061 B14R1.819 COC(=O)CCOCc1sccc1Cl 7a_100000722387_100000204255 [0,1,0,0,0,0|0,2,0]=3 1062 B14R1.819 COC(=O)CCOCc1scnc1Br 7a_100012000948_100000204255 [0,1,0,0,0,0|1,2,0]=4 1063 B14R1.819 COC(=O)CCOCc1scnc1C 34a_100000750112_100000742370 [0,1,0,0,0,0|1,2,0]=4 1064 B14R1.819 COC(=O)CCOCc1scnc1C 7a_100000750112_100000204255 [0,1,0,0,0,0|1,2,0]=4 1065 B14R1.819 COC(=O)CCSCc1ccnn1C 62a_100000204255_100000691648 [0,1,0,0,0,0|2,0,0]=3 1066 B14R1.819 COC(=O)CCSCc1ccnn1C 62a_100000691648_100000204255 [0,1,0,0,0,0|2,0,0]=3 1067 B14R1.819 COC(=O)CCSCc1ccsc1Br 62a_100000204255_100009814289 [0,1,0,0,0,0|2,0,0]=3 1068 B14R1.819 COC(=O)CCSCc1ccsc1Br 62a_100009814289_100000204255 [0,1,0,0,0,0|2,0,0]=3 1069 B14R1.819 COC(=O)CCSCc1ccsc1Cl 62a_100000204255_100010167017 [0,1,0,0,0,0|2,0,0]=3 1070 B14R1.819 COC(=O)CCSCc1ccsc1Cl 62a_100010167017_100000204255 [0,1,0,0,0,0|2,0,0]=3 1071 B14R1.819 COC(=O)CCSCc1nc[nH]c1C 62a_100000204255_100000751220 [0,1,0,0,0,0|2,0,0]=3 1072 B14R1.819 COC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000204255 [0,1,0,0,0,0|2,0,0]=3 1073 B14R1.819 COC(=O)CCSCc1nccn1C 62a_100000204255_100000700302 [0,1,0,0,0,0|2,0,0]=3 1074 B14R1.819 COC(=O)CCSCc1nccn1C 62a_100000700302_100000204255 [0,1,0,0,0,0|2,0,0]=3 1075 B14R1.819 COC(=O)CCSCc1ncoc1C 62a_100000204255_200000693990 [0,1,0,0,0,0|2,0,0]=3 1076 B14R1.819 COC(=O)CCSCc1ncoc1C 62a_200000693990_100000204255 [0,1,0,0,0,0|2,0,0]=3 1077 B14R1.819 COC(=O)CCSCc1nnsc1Cl 62a_100000204255_100000018852 [0,1,0,0,0,0|3,0,0]=4 1078 B14R1.819 COC(=O)CCSCc1nonc1C 62a_100000204255_200000044682 [0,1,0,0,0,0|3,0,0]=4 1079 B14R1.819 COC(=O)CCSCc1nonc1C 62a_200000044682_100000204255 [0,1,0,0,0,0|3,0,0]=4 1080 B14R1.819 COC(=O)CCSCc1snnc1C 62a_100000204255_100000732739 [0,1,0,0,0,0|2,1,0]=4 1081 B14R1.819 COC(=O)CCSCc1snnc1C 62a_100000732739_100000204255 [0,1,0,0,0,0|2,1,0]=4 1082 B14R1.819 COC(=O)CNCCc1cccn1C 2230a_100011251756_100000747449 [0,1,0,0,0,0|3,0,0]=4 1083 B14R1.819 COC(=O)CNCCc1cccn1C 34a_100011251756_100000747449 [0,1,0,0,0,0|3,0,0]=4 1084 B14R1.819 COC(=O)OCSCc1ccnn1C 62a_100000691648_100000139417 [0,1,0,0,0,0|3,0,0]=4 1085 B14R1.819 COC(=O)OCSCc1ccsc1Br 62a_100009814289_100000139417 [0,1,0,0,0,0|3,0,0]=4 1086 B14R1.819 COC(=O)OCSCc1ccsc1Cl 62a_100010167017_100000139417 [0,1,0,0,0,0|3,0,0]=4 1087 B14R1.819 COC(=O)OCSCc1nc[nH]c1C 62a_100000751220_100000139417 [0,1,0,0,0,0|3,0,0]=4 1088 B14R1.819 COC(=O)OCSCc1nccn1C 62a_100000700302_100000139417 [0,1,0,0,0,0|3,0,0]=4 1089 B14R1.819 COC(=O)OCSCc1ncoc1C 62a_200000693990_100000139417 [0,1,0,0,0,0|3,0,0]=4 1090 B14R1.986 C=C(CNCc1ccco1)C(=O)OC 34a_100000185738_100009813391 [0,1,0,0,0,0|1,0,1]=3 1091 B14R1.986 C=C(COCc1ccco1)C(=O)OC 34a_100000210059_100009813391 [0,1,0,0,0,0|0,1,1]=3 1092 B14R1.986 C=C(COCc1cccs1)C(=O)OC 34a_100000211240_100009813391 [0,1,0,0,0,0|0,2,1]=4 1093 B14R1.986 C=C(COCc1ccno1)C(=O)OC 34a_100000740478_100009813391 [0,1,0,0,0,0|1,1,1]=4 1094 B14R1.986 C=C(COCc1ncco1)C(=O)OC 34a_100000062594_100009813391 [0,1,0,0,0,0|1,1,1]=4 1095 B14R1.986 C=C(CSCc1c[nH]cn1)C(=O)OC 62a_100000707719_100009813391 [0,1,0,0,0,0|2,0,1]=4 1096 B14R1.986 C=C(CSCc1c[nH]cn1)C(=O)OC 62a_100009813391_100000707719 [0,1,0,0,0,0|2,0,1]=4 1097 B14R1.986 C=C(CSCc1ccn[nH]1)C(=O)OC 62a_100000728653_100009813391 [0,1,0,0,0,0|2,0,1]=4 1098 B14R1.986 C=C(CSCc1ccn[nH]1)C(=O)OC 62a_100009813391_100000728653 [0,1,0,0,0,0|2,0,1]=4 1099 B14R1.986 C=C(CSCc1ccon1)C(=O)OC 62a_100000234950_100009813391 [0,1,0,0,0,0|2,0,1]=4 1100 B14R1.986 C=C(CSCc1ccon1)C(=O)OC 62a_100009813391_100000234950 [0,1,0,0,0,0|2,0,1]=4 1101 B14R1.986 C=C(CSCc1ccsc1)C(=O)OC 62a_100009813391_100011233845 [0,1,0,0,0,0|2,0,1]=4 1102 B14R1.986 C=C(CSCc1ccsc1)C(=O)OC 62a_100011261437_100009813391 [0,1,0,0,0,0|2,0,1]=4 1103 B14R1.986 C=C(CSCc1cncs1)C(=O)OC 62a_100009813391_100015185245 [0,1,0,0,0,0|1,1,1]=4 1104 B14R1.986 C=C(CSCc1cncs1)C(=O)OC 62a_100015185245_100009813391 [0,1,0,0,0,0|1,1,1]=4 1105 B14R1.986 C=C(CSCc1cscn1)C(=O)OC 62a_100000205941_100009813391 [0,1,0,0,0,0|2,0,1]=4 1106 B14R1.986 C=C(CSCc1cscn1)C(=O)OC 62a_100009813391_100000205941 [0,1,0,0,0,0|2,0,1]=4 1107 B14R1.986 C=C(CSCc1ncc[nH]1)C(=O)OC 62a_100009813391_100016991755 [0,1,0,0,0,0|2,0,1]=4 1108 B14R1.986 C=C(CSCc1ncc[nH]1)C(=O)OC 62a_100016991755_100009813391 [0,1,0,0,0,0|2,0,1]=4 1109 B14R1.986 C=C(CSCc1ncco1)C(=O)OC 62a_100009813391_103436540062 [0,1,0,0,0,0|1,0,1]=3 1110 B14R1.986 C=C(CSCc1ncco1)C(=O)OC 62a_103436540062_100009813391 [0,1,0,0,0,0|1,0,1]=3 1111 B14R1.986 C=C(CSCc1nccs1)C(=O)OC 62a_100009813391_100015184050 [0,1,0,0,0,0|1,1,1]=4 1112 B14R1.986 C=C(CSCc1nccs1)C(=O)OC 62a_100015184050_100009813391 [0,1,0,0,0,0|1,1,1]=4 1113 B14R1.986 CCC(=O)C(C)NCCc1ccco1 2230a_100000694680_100000742827 [0,1,0,0,0,0|3,0,0]=4 1114 B14R1.986 CNC(=O)C(C)CNCc1ccco1 207a_100015187722_100000186105 [0,1,0,0,0,0|2,0,0]=3 1115 B14R1.986 CNC(=O)C(C)CNCc1ccco1 270004a_100015187722_100000186105 [0,1,0,0,0,0|2,0,0]=3 1116 B14R1.986 CNC(=O)C(C)CNCc1cccs1 207a_100015187722_100000209959 [0,1,0,0,0,0|2,1,0]=4 1117 B14R1.986 CNC(=O)C(C)CNCc1cccs1 270004a_100015187722_100000209959 [0,1,0,0,0,0|2,1,0]=4 1118 B14R1.986 CNC(=O)C(C)CNCc1cnco1 270004a_100015187722_100000064291 [0,1,0,0,0,0|3,0,0]=4 1119 B14R1.986 CNC(=O)C(C)CNCc1ncco1 2230a_100015187722_103436540062 [0,1,0,0,0,0|3,0,0]=4 1120 B14R1.986 CNC(=O)C(C)CNCc1ncco1 270004a_100015187722_100000064290 [0,1,0,0,0,0|3,0,0]=4 1121 B14R1.986 CNC(=O)C(C)CNCc1ncco1 34a_100015187722_103436540062 [0,1,0,0,0,0|3,0,0]=4 1122 B14R1.986 CNC(=O)C(C)NCCc1ccco1 2230a_100000694680_100000731044 [0,1,0,0,0,0|3,0,0]=4 1123 B14R1.986 CNC(=O)C(C)NCCc1ccco1 34a_100000694680_100000731044 [0,1,0,0,0,0|3,0,0]=4 1124 B14R1.986 CNC(=O)C(F)NCCc1ccco1 2230a_100000694680_100009813575 [0,1,0,0,0,0|3,0,0]=4 1125 B14R1.986 CNC(=O)C(F)NCCc1ccco1 34a_100000694680_100009813575 [0,1,0,0,0,0|3,0,0]=4 1126 B14R1.986 COC(=O)C(=O)CNCc1ccco1 34a_100000185738_100011610305 [0,1,0,0,0,0|1,0,1]=3 1127 B14R1.986 COC(=O)C(=O)COCc1ccco1 34a_100000210059_100011610305 [0,1,0,0,0,0|0,1,1]=3 1128 B14R1.986 COC(=O)C(=O)COCc1cccs1 34a_100000211240_100011610305 [0,1,0,0,0,0|0,2,1]=4 1129 B14R1.986 COC(=O)C(=O)COCc1ccno1 34a_100000740478_100011610305 [0,1,0,0,0,0|1,1,1]=4 1130 B14R1.986 COC(=O)C(=O)COCc1ncco1 34a_100000062594_100011610305 [0,1,0,0,0,0|1,1,1]=4 1131 B14R1.986 COC(=O)C(=O)CSCc1c[nH]cn1 62a_100000707719_100011610305 [0,1,0,0,0,0|2,0,1]=4 1132 B14R1.986 COC(=O)C(=O)CSCc1c[nH]cn1 62a_100011610305_100000707719 [0,1,0,0,0,0|2,0,1]=4 1133 B14R1.986 COC(=O)C(=O)CSCc1ccn[nH]1 62a_100000728653_100011610305 [0,1,0,0,0,0|2,0,1]=4 1134 B14R1.986 COC(=O)C(=O)CSCc1ccn[nH]1 62a_100011610305_100000728653 [0,1,0,0,0,0|2,0,1]=4 1135 B14R1.986 COC(=O)C(=O)CSCc1ccon1 62a_100000234950_100011610305 [0,1,0,0,0,0|2,0,1]=4 1136 B14R1.986 COC(=O)C(=O)CSCc1ccon1 62a_100011610305_100000234950 [0,1,0,0,0,0|2,0,1]=4 1137 B14R1.986 COC(=O)C(=O)CSCc1ccsc1 62a_100011261437_100011610305 [0,1,0,0,0,0|2,0,1]=4 1138 B14R1.986 COC(=O)C(=O)CSCc1ccsc1 62a_100011610305_100011233845 [0,1,0,0,0,0|2,0,1]=4 1139 B14R1.986 COC(=O)C(=O)CSCc1cncs1 62a_100011610305_100015185245 [0,1,0,0,0,0|1,1,1]=4 1140 B14R1.986 COC(=O)C(=O)CSCc1cncs1 62a_100015185245_100011610305 [0,1,0,0,0,0|1,1,1]=4 1141 B14R1.986 COC(=O)C(=O)CSCc1cscn1 62a_100000205941_100011610305 [0,1,0,0,0,0|2,0,1]=4 1142 B14R1.986 COC(=O)C(=O)CSCc1cscn1 62a_100011610305_100000205941 [0,1,0,0,0,0|2,0,1]=4 1143 B14R1.986 COC(=O)C(=O)CSCc1ncc[nH]1 62a_100011610305_100016991755 [0,1,0,0,0,0|2,0,1]=4 1144 B14R1.986 COC(=O)C(=O)CSCc1ncc[nH]1 62a_100016991755_100011610305 [0,1,0,0,0,0|2,0,1]=4 1145 B14R1.986 COC(=O)C(=O)CSCc1ncco1 62a_100011610305_103436540062 [0,1,0,0,0,0|1,0,1]=3 1146 B14R1.986 COC(=O)C(=O)CSCc1ncco1 62a_103436540062_100011610305 [0,1,0,0,0,0|1,0,1]=3 1147 B14R1.986 COC(=O)C(=O)CSCc1nccs1 62a_100011610305_100015184050 [0,1,0,0,0,0|1,1,1]=4 1148 B14R1.986 COC(=O)C(=O)CSCc1nccs1 62a_100015184050_100011610305 [0,1,0,0,0,0|1,1,1]=4 1149 B14R1.986 COC(=O)C(=O)NCCc1ccco1 11a_100000694680_100000024059 [0,1,0,0,0,0|2,0,1]=4 1150 B14R1.986 COC(=O)C(=O)NCCc1ccco1 1626a_100000694680_100000024059 [0,1,0,0,0,0|2,0,1]=4 1151 B14R1.986 COC(=O)C(=O)NCCc1ccco1 240690a_100000694680_100000024059 [0,1,0,0,0,0|2,0,1]=4 1152 B14R1.986 COC(=O)C(=O)NCCc1ccco1 527a_100000694680_100000024059 [0,1,0,0,0,0|2,0,1]=4 1153 B14R1.986 COC(=O)C(C)CCSc1ccco1 62a_100000034942_100009814098 [0,1,0,0,0,0|2,0,0]=3 1154 B14R1.986 COC(=O)C(C)CCSc1ccco1 62a_100009814098_100000034942 [0,1,0,0,0,0|2,0,0]=3 1155 B14R1.986 COC(=O)C(C)CCSc1cccs1 62a_100000034942_100011215356 [0,1,0,0,0,0|2,1,0]=4 1156 B14R1.986 COC(=O)C(C)CCSc1cccs1 62a_100011215356_100000034942 [0,1,0,0,0,0|2,1,0]=4 1157 B14R1.986 COC(=O)C(C)CCSc1cnco1 62a_100000034942_100020591547 [0,1,0,0,0,0|3,0,0]=4 1158 B14R1.986 COC(=O)C(C)CCSc1cnco1 62a_100020591547_100000034942 [0,1,0,0,0,0|3,0,0]=4 1159 B14R1.986 COC(=O)C(C)CCSc1ncco1 62a_100000034942_100011787736 [0,1,0,0,0,0|3,0,0]=4 1160 B14R1.986 COC(=O)C(C)CCSc1ncco1 62a_100011787736_100000034942 [0,1,0,0,0,0|3,0,0]=4 1161 B14R1.986 COC(=O)C(C)CNCc1ccco1 34a_100000185738_100000698445 [0,1,0,0,0,0|1,0,0]=2 1162 B14R1.986 COC(=O)C(C)CNCc1ccoc1 34a_100015206860_100000698445 [0,1,0,0,0,0|3,0,0]=4 1163 B14R1.986 COC(=O)C(C)CNCc1ccsc1 34a_100000186416_100000698445 [0,1,0,0,0,0|3,0,0]=4 1164 B14R1.986 COC(=O)C(C)COCc1c[nH]cn1 34a_100000749362_100000707719 [0,1,0,0,0,0|2,1,0]=4 1165 B14R1.986 COC(=O)C(C)COCc1ccco1 34a_100000210059_100000698445 [0,1,0,0,0,0|0,1,0]=2 1166 B14R1.986 COC(=O)C(C)COCc1cccs1 34a_100000211240_100000698445 [0,1,0,0,0,0|0,2,0]=3 1167 B14R1.986 COC(=O)C(C)COCc1ccn[nH]1 34a_100000749362_100000728653 [0,1,0,0,0,0|2,1,0]=4 1168 B14R1.986 COC(=O)C(C)COCc1ccn[nH]1 7a_100000749362_100000728653 [0,1,0,0,0,0|2,1,0]=4 1169 B14R1.986 COC(=O)C(C)COCc1ccno1 34a_100000740478_100000698445 [0,1,0,0,0,0|1,1,0]=3 1170 B14R1.986 COC(=O)C(C)COCc1ccoc1 34a_100011215357_100000698445 [0,1,0,0,0,0|2,1,0]=4 1171 B14R1.986 COC(=O)C(C)COCc1ccon1 34a_100000749362_100000234950 [0,1,0,0,0,0|2,1,0]=4 1172 B14R1.986 COC(=O)C(C)COCc1ccon1 7a_100000749362_100000234950 [0,1,0,0,0,0|2,1,0]=4 1173 B14R1.986 COC(=O)C(C)COCc1ccsc1 34a_100000749362_100011261437 [0,1,0,0,0,0|2,1,0]=4 1174 B14R1.986 COC(=O)C(C)COCc1ccsc1 34a_100011215551_100000698445 [0,1,0,0,0,0|2,1,0]=4 1175 B14R1.986 COC(=O)C(C)COCc1ccsc1 7a_100000749362_100011261437 [0,1,0,0,0,0|2,1,0]=4 1176 B14R1.986 COC(=O)C(C)COCc1cncs1 34a_100000749362_100015185245 [0,1,0,0,0,0|1,2,0]=4 1177 B14R1.986 COC(=O)C(C)COCc1cncs1 7a_100000749362_100015185245 [0,1,0,0,0,0|1,2,0]=4 1178 B14R1.986 COC(=O)C(C)COCc1cscn1 34a_100000749362_100000205941 [0,1,0,0,0,0|2,1,0]=4 1179 B14R1.986 COC(=O)C(C)COCc1cscn1 7a_100000749362_100000205941 [0,1,0,0,0,0|2,1,0]=4 1180 B14R1.986 COC(=O)C(C)COCc1ncc[nH]1 34a_100000749362_100016991755 [0,1,0,0,0,0|2,1,0]=4 1181 B14R1.986 COC(=O)C(C)COCc1ncc[nH]1 7a_100000749362_100000753453 [0,1,0,0,0,0|2,1,0]=4 1182 B14R1.986 COC(=O)C(C)COCc1ncco1 34a_100000062594_100000698445 [0,1,0,0,0,0|1,1,0]=3 1183 B14R1.986 COC(=O)C(C)COCc1ncco1 34a_100000749362_103436540062 [0,1,0,0,0,0|1,1,0]=3 1184 B14R1.986 COC(=O)C(C)COCc1ncco1 7a_100000749362_103436540062 [0,1,0,0,0,0|1,1,0]=3 1185 B14R1.986 COC(=O)C(C)COCc1nccs1 34a_100000749362_100015184050 [0,1,0,0,0,0|1,2,0]=4 1186 B14R1.986 COC(=O)C(C)COCc1nccs1 7a_100000749362_100015184050 [0,1,0,0,0,0|1,2,0]=4 1187 B14R1.986 COC(=O)C(C)COCn1cccn1 34a_100000731028_100000698445 [0,1,0,0,0,0|2,1,0]=4 1188 B14R1.986 COC(=O)C(C)CSCc1c[nH]cn1 62a_100000698445_100000707719 [0,1,0,0,0,0|2,0,0]=3 1189 B14R1.986 COC(=O)C(C)CSCc1c[nH]cn1 62a_100000707719_100000698445 [0,1,0,0,0,0|2,0,0]=3 1190 B14R1.986 COC(=O)C(C)CSCc1ccn[nH]1 62a_100000698445_100000728653 [0,1,0,0,0,0|2,0,0]=3 1191 B14R1.986 COC(=O)C(C)CSCc1ccn[nH]1 62a_100000728653_100000698445 [0,1,0,0,0,0|2,0,0]=3 1192 B14R1.986 COC(=O)C(C)CSCc1ccon1 62a_100000234950_100000698445 [0,1,0,0,0,0|2,0,0]=3 1193 B14R1.986 COC(=O)C(C)CSCc1ccon1 62a_100000698445_100000234950 [0,1,0,0,0,0|2,0,0]=3 1194 B14R1.986 COC(=O)C(C)CSCc1ccsc1 62a_100000698445_100011233845 [0,1,0,0,0,0|2,0,0]=3 1195 B14R1.986 COC(=O)C(C)CSCc1ccsc1 62a_100011261437_100000698445 [0,1,0,0,0,0|2,0,0]=3 1196 B14R1.986 COC(=O)C(C)CSCc1cncs1 62a_100000698445_100015185245 [0,1,0,0,0,0|1,1,0]=3 1197 B14R1.986 COC(=O)C(C)CSCc1cncs1 62a_100015185245_100000698445 [0,1,0,0,0,0|1,1,0]=3 1198 B14R1.986 COC(=O)C(C)CSCc1cscn1 62a_100000205941_100000698445 [0,1,0,0,0,0|2,0,0]=3 1199 B14R1.986 COC(=O)C(C)CSCc1cscn1 62a_100000698445_100000205941 [0,1,0,0,0,0|2,0,0]=3 1200 B14R1.986 COC(=O)C(C)CSCc1ncc[nH]1 62a_100000698445_100016991755 [0,1,0,0,0,0|2,0,0]=3 1201 B14R1.986 COC(=O)C(C)CSCc1ncc[nH]1 62a_100016991755_100000698445 [0,1,0,0,0,0|2,0,0]=3 1202 B14R1.986 COC(=O)C(C)CSCc1ncco1 62a_100000698445_103436540062 [0,1,0,0,0,0|1,0,0]=2 1203 B14R1.986 COC(=O)C(C)CSCc1ncco1 62a_103436540062_100000698445 [0,1,0,0,0,0|1,0,0]=2 1204 B14R1.986 COC(=O)C(C)CSCc1nccs1 62a_100000698445_100015184050 [0,1,0,0,0,0|1,1,0]=3 1205 B14R1.986 COC(=O)C(C)CSCc1nccs1 62a_100015184050_100000698445 [0,1,0,0,0,0|1,1,0]=3 1206 B14R1.986 COC(=O)C(C)CSCc1ncon1 62a_100000233494_100000698445 [0,1,0,0,0,0|3,0,0]=4 1207 B14R1.986 COC(=O)C(C)CSCc1ncon1 62a_100000698445_100000233494 [0,1,0,0,0,0|3,0,0]=4 1208 B14R1.986 COC(=O)C(C)CSCn1cncn1 62a_100000698445_200020645497 [0,1,0,0,0,0|3,0,0]=4 1209 B14R1.986 COC(=O)C(C)CSCn1cncn1 62a_200020645497_100000698445 [0,1,0,0,0,0|3,0,0]=4 1210 B14R1.986 COC(=O)C(C)NCCc1ccco1 2230a_100000694680_100000211248 [0,1,0,0,0,0|2,0,0]=3 1211 B14R1.986 COC(=O)C(C)NCCc1ccco1 34a_100000694680_100000211248 [0,1,0,0,0,0|2,0,0]=3 1212 B14R1.986 COC(=O)C(C)NCCc1cccs1 2230a_100000203755_100000211248 [0,1,0,0,0,0|2,1,0]=4 1213 B14R1.986 COC(=O)C(C)NCCc1cccs1 34a_100000203755_100000211248 [0,1,0,0,0,0|2,1,0]=4 1214 B14R1.986 COC(=O)C(C)OCCc1cccs1 34a_100011215400_100000748579 [0,1,0,0,0,0|2,1,0]=4 1215 B14R1.986 COC(=O)C(C)OCCc1cccs1 34a_100011216825_100000211248 [0,1,0,0,0,0|2,1,0]=4 1216 B14R1.986 COC(=O)C(C)OCCc1cccs1 7a_100011216825_100000211248 [0,1,0,0,0,0|2,1,0]=4 1217 B14R1.986 COC(=O)C(C)SCCc1cccs1 62a_100000211248_100000748579 [0,1,0,0,0,0|2,1,0]=4 1218 B14R1.986 COC(=O)C(C)SCCc1cccs1 62a_100000748579_100000211248 [0,1,0,0,0,0|2,1,0]=4 1219 B14R1.986 COC(=O)C(F)COCc1c[nH]cn1 34a_200009849844_100000707719 [0,1,0,0,0,0|2,1,0]=4 1220 B14R1.986 COC(=O)C(F)COCc1ccn[nH]1 34a_200009849844_100000728653 [0,1,0,0,0,0|2,1,0]=4 1221 B14R1.986 COC(=O)C(F)COCc1ccon1 34a_200009849844_100000234950 [0,1,0,0,0,0|2,1,0]=4 1222 B14R1.986 COC(=O)C(F)COCc1ccsc1 34a_200009849844_100011261437 [0,1,0,0,0,0|2,1,0]=4 1223 B14R1.986 COC(=O)C(F)COCc1cncs1 34a_200009849844_100015185245 [0,1,0,0,0,0|1,2,0]=4 1224 B14R1.986 COC(=O)C(F)COCc1cscn1 34a_200009849844_100000205941 [0,1,0,0,0,0|2,1,0]=4 1225 B14R1.986 COC(=O)C(F)COCc1ncc[nH]1 34a_200009849844_100016991755 [0,1,0,0,0,0|2,1,0]=4 1226 B14R1.986 COC(=O)C(F)COCc1ncco1 34a_200009849844_103436540062 [0,1,0,0,0,0|1,1,0]=3 1227 B14R1.986 COC(=O)C(F)COCc1nccs1 34a_200009849844_100015184050 [0,1,0,0,0,0|1,2,0]=4 1228 B14R1.986 COC(=O)[C@H](N)COCc1c[nH]cn1 34a_100000003586_100000707719 [0,1,0,0,0,0|2,1,0]=4 1229 B14R1.986 COC(=O)[C@H](N)COCc1ccn[nH]1 34a_100000003586_100000728653 [0,1,0,0,0,0|2,1,0]=4 1230 B14R1.986 COC(=O)[C@H](N)COCc1ccon1 34a_100000003586_100000234950 [0,1,0,0,0,0|2,1,0]=4 1231 B14R1.986 COC(=O)[C@H](N)COCc1ccsc1 34a_100000003586_100011261437 [0,1,0,0,0,0|2,1,0]=4 1232 B14R1.986 COC(=O)[C@H](N)COCc1cncs1 34a_100000003586_100015185245 [0,1,0,0,0,0|1,2,0]=4 1233 B14R1.986 COC(=O)[C@H](N)COCc1cscn1 34a_100000003586_100000205941 [0,1,0,0,0,0|2,1,0]=4 1234 B14R1.986 COC(=O)[C@H](N)COCc1ncc[nH]1 34a_100000003586_100016991755 [0,1,0,0,0,0|2,1,0]=4 1235 B14R1.986 COC(=O)[C@H](N)COCc1ncco1 34a_100000003586_103436540062 [0,1,0,0,0,0|1,1,0]=3 1236 B14R1.986 COC(=O)[C@H](N)COCc1nccs1 34a_100000003586_100015184050 [0,1,0,0,0,0|1,2,0]=4 1237 B14R1.3218 CC(=O)C(=O)CNCCc1ccco1 34a_100000694680_100011261029 [0,1,0,0,0,0|3,0,0]=4 1238 B14R1.3218 CC(C)C(=O)CCCCc1cccs1 1458a_100011216592_100000210206 [0,1,0,0,0,0|2,1,0]=4 1239 B14R1.3218 CC(C)C(=O)CNCCc1ccco1 2230a_100000694680_100000753385 [0,1,0,0,0,0|3,0,0]=4 1240 B14R1.3218 CC(C)C(=O)CNCCc1ccco1 34a_100000694680_100000753385 [0,1,0,0,0,0|3,0,0]=4 1241 B14R1.3218 CC(C)C(=O)OCSCc1ncco1 62a_100000139345_103436540062 [0,1,0,0,0,0|3,0,0]=4 1242 B14R1.3218 CC(C)C(=O)OCSCc1ncco1 62a_103436540062_100000139345 [0,1,0,0,0,0|3,0,0]=4 1243 B14R1.3218 CN(C)C(=O)CCCCc1cccs1 11a_100102631434_100011216592 [0,1,0,0,0,0|2,1,0]=4 1244 B14R1.3218 CN(C)C(=O)CCCCc1cccs1 1626a_100102631434_100011216592 [0,1,0,0,0,0|2,1,0]=4 1245 B14R1.3218 CN(C)C(=O)CCCCc1cccs1 240690a_100102631434_100011216592 [0,1,0,0,0,0|2,1,0]=4 1246 B14R1.3218 CN(C)C(=O)CCCCc1cccs1 527a_100102631434_100011216592 [0,1,0,0,0,0|2,1,0]=4 1247 B14R1.3218 CN(C)C(=O)CCCSc1ccco1 62a_100000737642_100009814098 [0,1,0,0,0,0|3,0,0]=4 1248 B14R1.3218 CN(C)C(=O)CCCSc1ccco1 62a_100009814098_100000737642 [0,1,0,0,0,0|3,0,0]=4 1249 B14R1.3218 CN(C)C(=O)CCNCc1ccco1 207a_100000738053_100000186105 [0,1,0,0,0,0|2,0,0]=3 1250 B14R1.3218 CN(C)C(=O)CCNCc1ccco1 2230a_100000185738_100000737620 [0,1,0,0,0,0|2,0,0]=3 1251 B14R1.3218 CN(C)C(=O)CCNCc1ccco1 270004a_100000738053_100000186105 [0,1,0,0,0,0|2,0,0]=3 1252 B14R1.3218 CN(C)C(=O)CCNCc1cccs1 207a_100000738053_100000209959 [0,1,0,0,0,0|2,1,0]=4 1253 B14R1.3218 CN(C)C(=O)CCNCc1cccs1 2230a_100000211653_100000737620 [0,1,0,0,0,0|2,1,0]=4 1254 B14R1.3218 CN(C)C(=O)CCNCc1cccs1 270004a_100000738053_100000209959 [0,1,0,0,0,0|2,1,0]=4 1255 B14R1.3218 CN(C)C(=O)CCNCc1cnco1 270004a_100000738053_100000064291 [0,1,0,0,0,0|3,0,0]=4 1256 B14R1.3218 CN(C)C(=O)CCNCc1ncco1 2230a_100000738053_103436540062 [0,1,0,0,0,0|3,0,0]=4 1257 B14R1.3218 CN(C)C(=O)CCNCc1ncco1 2230a_100016994969_100000737620 [0,1,0,0,0,0|3,0,0]=4 1258 B14R1.3218 CN(C)C(=O)CCNCc1ncco1 270004a_100000738053_100000064290 [0,1,0,0,0,0|3,0,0]=4 1259 B14R1.3218 CN(C)C(=O)CCOCc1ncco1 34a_200000747469_103436540062 [0,1,0,0,0,0|2,1,0]=4 1260 B14R1.3218 CN(C)C(=O)CCSCc1c[nH]cn1 62a_100000707719_100000737620 [0,1,0,0,0,0|3,0,0]=4 1261 B14R1.3218 CN(C)C(=O)CCSCc1c[nH]cn1 62a_100000737620_100000707719 [0,1,0,0,0,0|3,0,0]=4 1262 B14R1.3218 CN(C)C(=O)CCSCc1ccn[nH]1 62a_100000728653_100000737620 [0,1,0,0,0,0|3,0,0]=4 1263 B14R1.3218 CN(C)C(=O)CCSCc1ccn[nH]1 62a_100000737620_100000728653 [0,1,0,0,0,0|3,0,0]=4 1264 B14R1.3218 CN(C)C(=O)CCSCc1ccon1 62a_100000234950_100000737620 [0,1,0,0,0,0|3,0,0]=4 1265 B14R1.3218 CN(C)C(=O)CCSCc1ccon1 62a_100000737620_100000234950 [0,1,0,0,0,0|3,0,0]=4 1266 B14R1.3218 CN(C)C(=O)CCSCc1ccsc1 62a_100000737620_100011233845 [0,1,0,0,0,0|3,0,0]=4 1267 B14R1.3218 CN(C)C(=O)CCSCc1ccsc1 62a_100011261437_100000737620 [0,1,0,0,0,0|3,0,0]=4 1268 B14R1.3218 CN(C)C(=O)CCSCc1cncs1 62a_100000737620_100015185245 [0,1,0,0,0,0|2,1,0]=4 1269 B14R1.3218 CN(C)C(=O)CCSCc1cncs1 62a_100015185245_100000737620 [0,1,0,0,0,0|2,1,0]=4 1270 B14R1.3218 CN(C)C(=O)CCSCc1cscn1 62a_100000205941_100000737620 [0,1,0,0,0,0|3,0,0]=4 1271 B14R1.3218 CN(C)C(=O)CCSCc1cscn1 62a_100000737620_100000205941 [0,1,0,0,0,0|3,0,0]=4 1272 B14R1.3218 CN(C)C(=O)CCSCc1ncc[nH]1 62a_100000737620_100016991755 [0,1,0,0,0,0|3,0,0]=4 1273 B14R1.3218 CN(C)C(=O)CCSCc1ncc[nH]1 62a_100016991755_100000737620 [0,1,0,0,0,0|3,0,0]=4 1274 B14R1.3218 CN(C)C(=O)CCSCc1ncco1 62a_100000737620_103436540062 [0,1,0,0,0,0|2,0,0]=3 1275 B14R1.3218 CN(C)C(=O)CCSCc1ncco1 62a_103436540062_100000737620 [0,1,0,0,0,0|2,0,0]=3 1276 B14R1.3218 CN(C)C(=O)CCSCc1nccs1 62a_100000737620_100015184050 [0,1,0,0,0,0|2,1,0]=4 1277 B14R1.3218 CN(C)C(=O)CCSCc1nccs1 62a_100015184050_100000737620 [0,1,0,0,0,0|2,1,0]=4 1278 B14R1.3218 CN(C)C(=O)CNCCc1ccco1 2230a_100000694680_100000185267 [0,1,0,0,0,0|3,0,0]=4 1279 B14R1.3218 CN(C)C(=O)CNCCc1ccco1 34a_100000694680_100000692301 [0,1,0,0,0,0|3,0,0]=4 1280 B12R0.248 C/C=C/C=C/COCCC(=O)NC 34a_100016283227_100012179268 [0,0,1,0,0,0|2,1,0]=4 1281 B12R0.248 C/C=C/C=C/COCCC(=O)OC 34a_100016283227_100000742370 [0,0,1,0,0,0|1,1,0]=3 1282 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,0,1,0,0,0|1,0,2]=4 1283 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,0,1,0,0,0|1,0,2]=4 1284 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,0,1,0,0,0|1,0,2]=4 1285 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,0,1,0,0,0|1,0,2]=4 1286 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,0,1,0,0,0|1,0,2]=4 1287 B12R0.248 C=CCOCCOCCC(=O)OC 34a_100000037705_100000742370 [0,0,1,0,0,0|0,1,2]=4 1288 B12R0.248 C=CCOCCOCCC(=O)OC 7a_100000037705_100000204255 [0,0,1,0,0,0|0,1,2]=4 1289 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,0,1,0,0,0|1,0,2]=4 1290 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,0,1,0,0,0|1,0,2]=4 1291 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000210193_100000204269 [0,0,1,0,0,0|1,0,2]=4 1292 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210623 [0,0,1,0,0,0|1,0,2]=4 1293 B12R0.276 C=COC(=O)CNCCC(=O)NC 2230a_100000738227_100000036128 [0,0,1,0,0,0|3,0,0]=4 1294 B12R0.276 C=COC(=O)CNCCC(=O)NC 34a_100000738227_100000036128 [0,0,1,0,0,0|3,0,0]=4 1295 B12R0.276 C=COC(=O)COCCC(=O)NC 34a_100000754576_100000036128 [0,0,1,0,0,0|2,1,0]=4 1296 B12R0.276 C=COC(=O)CSCCC(=O)NC 62a_100000036128_100000737683 [0,0,1,0,0,0|2,0,0]=3 1297 B12R0.276 C=COC(=O)CSCCC(=O)NC 62a_100000737683_100000036128 [0,0,1,0,0,0|2,0,0]=3 1298 B12R0.276 C=COC(=O)CSCCC(=O)OC 62a_100000036128_100000204255 [0,0,1,0,0,0|1,0,0]=2 1299 B12R0.276 C=COC(=O)CSCCC(=O)OC 62a_100000204255_100000036128 [0,0,1,0,0,0|1,0,0]=2 1300 B12R0.276 C=COC(=O)CSCOC(=O)OC 62a_100000036128_100000139417 [0,0,1,0,0,0|2,0,0]=3 1301 B12R0.276 CC=CC(=O)CCCCC(=O)OC 1458a_100000210699_100000204269 [0,0,1,0,0,0|1,0,2]=4 1302 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,0,1,0,0,0|1,0,2]=4 1303 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,0,1,0,0,0|1,0,2]=4 1304 B12R0.276 COC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000204269 [0,0,1,0,0,0|2,0,1]=4 1305 B12R0.276 COC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000204269 [0,0,1,0,0,0|2,0,1]=4 1306 B12R0.276 COC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000204269 [0,0,1,0,0,0|2,0,1]=4 1307 B14R2.72 C=C1CCN(CC1)Cc2ccco2 270004a_100000752442_100000186105 [0,0,0,1,0,0|3,0,0]=4 1308 B14R2.72 CC1=CCN(CC1)Cc2ccco2 270004a_100000693516_100000186105 [0,0,0,1,0,0|3,0,0]=4 1309 B14R2.72 O=S1CCN(CC1)Cc2ccco2 270004a_100000752083_100000186105 [0,0,0,1,0,0|3,0,0]=4 1310 B14R2.119 CO[C@@H]1CCN(C1)Cc2ccco2 270004a_100000766984_100000186105 [0,0,0,1,0,0|2,0,1]=4 1311 B14R2.252 O=C1CC(CN1)NCc2ccco2 207a_100000697751_100000186105 [0,0,0,1,0,0|2,0,0]=3 1312 B14R2.252 O=C1CC(CN1)NCc2cccs2 207a_100000697751_100000209959 [0,0,0,1,0,0|2,1,0]=4 1313 B14R2.252 O=C1CC(CN1)NCc2ncco2 2230a_100000697751_103436540062 [0,0,0,1,0,0|3,0,0]=4 1314 B14R2.252 O=C1CC(CN1)OCc2ncco2 34a_100000690082_103436540062 [0,0,0,1,0,0|2,1,0]=4 1315 B14R2.252 O=C1CCC(C1)OCc2ncco2 34a_100012614533_103436540062 [0,0,0,1,0,0|2,1,0]=4 1316 B14R2.252 O=C1N[C@H](CO1)CSc2ccco2 62a_100009814098_100015307671 [0,0,0,1,0,0|3,0,0]=4 1317 B14R2.252 O=C1N[C@H](CO1)CSc2ccco2 62a_100015307671_100009814098 [0,0,0,1,0,0|3,0,0]=4 1318 B14R2.252 O=C1OCC(O1)CSc2ccco2 62a_100000073702_100009814098 [0,0,0,1,0,0|3,0,0]=4 1319 B14R2.252 O=C1OCC(O1)CSc2ccco2 62a_100009814098_100000073702 [0,0,0,1,0,0|3,0,0]=4 1320 B14R2.252 O=C1OCC(O1)NCc2ccco2 34a_100000185738_100000032252 [0,0,0,1,0,0|2,0,0]=3 1321 B14R2.252 O=C1OCC(O1)OCc2ccco2 34a_100000210059_100000032252 [0,0,0,1,0,0|1,1,0]=3 1322 B14R2.252 O=C1OCC(O1)OCc2cccs2 34a_100000211240_100000032252 [0,0,0,1,0,0|1,2,0]=4 1323 B14R2.252 O=C1OCC(O1)OCc2ccno2 34a_100000740478_100000032252 [0,0,0,1,0,0|2,1,0]=4 1324 B14R2.252 O=C1OCC(O1)OCc2ncco2 34a_100000062594_100000032252 [0,0,0,1,0,0|2,1,0]=4 1325 B14R2.252 O=C1OCC(O1)SCc2c[nH]cn2 62a_100000707719_100000032252 [0,0,0,1,0,0|3,0,0]=4 1326 B14R2.252 O=C1OCC(O1)SCc2ccn[nH]2 62a_100000728653_100000032252 [0,0,0,1,0,0|3,0,0]=4 1327 B14R2.252 O=C1OCC(O1)SCc2ccon2 62a_100000234950_100000032252 [0,0,0,1,0,0|3,0,0]=4 1328 B14R2.252 O=C1OCC(O1)SCc2ccsc2 62a_100011261437_100000032252 [0,0,0,1,0,0|3,0,0]=4 1329 B14R2.252 O=C1OCC(O1)SCc2cncs2 62a_100015185245_100000032252 [0,0,0,1,0,0|2,1,0]=4 1330 B14R2.252 O=C1OCC(O1)SCc2cscn2 62a_100000205941_100000032252 [0,0,0,1,0,0|3,0,0]=4 1331 B14R2.252 O=C1OCC(O1)SCc2ncc[nH]2 62a_100016991755_100000032252 [0,0,0,1,0,0|3,0,0]=4 1332 B14R2.252 O=C1OCC(O1)SCc2ncco2 62a_103436540062_100000032252 [0,0,0,1,0,0|2,0,0]=3 1333 B14R2.252 O=C1OCC(O1)SCc2nccs2 62a_100015184050_100000032252 [0,0,0,1,0,0|2,1,0]=4 1334 B14R2.726 O=C1CCC1CCSc2ccco2 62a_100009814098_200016118888 [0,0,0,1,0,0|3,0,0]=4 1335 B14R2.726 O=C1CCC1CCSc2ccco2 62a_200016118888_100009814098 [0,0,0,1,0,0|3,0,0]=4 1336 B14R2.726 O=C1CCC1NCCc2ccco2 34a_100000694680_100009892977 [0,0,0,1,0,0|3,0,0]=4 1337 B14R2.959 COC(=O)C1CN1Cc2c[nH]cn2 2230a_200009830135_100000707719 [0,0,0,1,0,0|3,0,0]=4 1338 B14R2.959 COC(=O)C1CN1Cc2cc[nH]n2 270004a_200009830135_100000738523 [0,0,0,1,0,0|3,0,0]=4 1339 B14R2.959 COC(=O)C1CN1Cc2ccco2 270004a_200009830135_100000186105 [0,0,0,1,0,0|1,0,0]=2 1340 B14R2.959 COC(=O)C1CN1Cc2cccs2 270004a_200009830135_100000209959 [0,0,0,1,0,0|1,1,0]=3 1341 B14R2.959 COC(=O)C1CN1Cc2ccn[nH]2 2230a_200009830135_100000728653 [0,0,0,1,0,0|3,0,0]=4 1342 B14R2.959 COC(=O)C1CN1Cc2ccoc2 270004a_200009830135_100011215517 [0,0,0,1,0,0|3,0,0]=4 1343 B14R2.959 COC(=O)C1CN1Cc2ccon2 2230a_200009830135_100000234950 [0,0,0,1,0,0|3,0,0]=4 1344 B14R2.959 COC(=O)C1CN1Cc2ccsc2 2230a_200009830135_100011261437 [0,0,0,1,0,0|3,0,0]=4 1345 B14R2.959 COC(=O)C1CN1Cc2ccsc2 270004a_200009830135_100000188534 [0,0,0,1,0,0|3,0,0]=4 1346 B14R2.959 COC(=O)C1CN1Cc2cnco2 270004a_200009830135_100000064291 [0,0,0,1,0,0|2,0,0]=3 1347 B14R2.959 COC(=O)C1CN1Cc2cncs2 2230a_200009830135_100015185245 [0,0,0,1,0,0|2,1,0]=4 1348 B14R2.959 COC(=O)C1CN1Cc2cncs2 270004a_200009830135_100000749870 [0,0,0,1,0,0|2,1,0]=4 1349 B14R2.959 COC(=O)C1CN1Cc2cocn2 270004a_200009830135_100000050382 [0,0,0,1,0,0|3,0,0]=4 1350 B14R2.959 COC(=O)C1CN1Cc2cscn2 2230a_200009830135_100000205941 [0,0,0,1,0,0|3,0,0]=4 1351 B14R2.959 COC(=O)C1CN1Cc2cscn2 270004a_200009830135_100000743575 [0,0,0,1,0,0|3,0,0]=4 1352 B14R2.959 COC(=O)C1CN1Cc2ncc[nH]2 2230a_200009830135_100016991755 [0,0,0,1,0,0|3,0,0]=4 1353 B14R2.959 COC(=O)C1CN1Cc2ncco2 2230a_200009830135_103436540062 [0,0,0,1,0,0|2,0,0]=3 1354 B14R2.959 COC(=O)C1CN1Cc2ncco2 270004a_200009830135_100000064290 [0,0,0,1,0,0|2,0,0]=3 1355 B14R2.959 COC(=O)C1CN1Cc2nccs2 2230a_200009830135_100015184050 [0,0,0,1,0,0|2,1,0]=4 1356 B14R2.959 COC(=O)C1CN1Cc2nccs2 270004a_200009830135_100000750902 [0,0,0,1,0,0|2,1,0]=4 1357 B14R2.1185 CO[C@H]1C[C@@H](C1)NCc2ccco2 207a_100121570643_100000186105 [0,0,0,1,0,0|2,0,1]=4 1358 B14R2.1185 CO[C@H]1C[C@@H](C1)NCc2ccco2 270004a_100121570643_100000186105 [0,0,0,1,0,0|2,0,1]=4 1359 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [0,0,0,0,1,0|0,0,3]=4 1360 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [0,0,0,0,1,0|0,0,3]=4 1361 B12R1.477 C#CC(=O)CCCc1cccs1 1458a_100000211873_100010992444 [0,0,0,0,1,0|1,1,1]=4 1362 B12R1.477 C=CC(=O)CCCc1cccs1 1458a_100000185746_100010992444 [0,0,0,0,1,0|1,1,1]=4 1363 B12R1.477 C=CC(=O)NCCc1ccco1 1626a_100000694680_100000185746 [0,0,0,0,1,0|2,0,1]=4 1364 B12R1.477 C=CC(=O)NCCc1ccco1 240690a_100000694680_200121576911 [0,0,0,0,1,0|2,0,1]=4 1365 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000184482_100000210202 [0,0,0,0,1,0|1,1,0]=3 1366 B12R1.477 CCC(=O)CCCc1cccs1 1458a_100000210414_100010992444 [0,0,0,0,1,0|1,1,0]=3 1367 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000210414_200009814367 [0,0,0,0,1,0|3,0,0]=4 1368 B12R1.477 CCC(=O)CCCn1cccc1 1458a_100000691410_100000210202 [0,0,0,0,1,0|3,0,0]=4 1369 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000210414_100000739983 [0,0,0,0,1,0|3,0,0]=4 1370 B12R1.477 CCC(=O)CCCn1cccn1 1458a_100000742828_100000210202 [0,0,0,0,1,0|3,0,0]=4 1371 B12R1.477 CCC(=O)COCc1ncco1 34a_100000725409_103436540062 [0,0,0,0,1,0|2,1,0]=4 1372 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747405 [0,0,0,0,1,0|3,0,0]=4 1373 B12R1.477 CCC(=O)CSCc1c[nH]cn1 62a_100000747405_100000707719 [0,0,0,0,1,0|3,0,0]=4 1374 B12R1.477 CCC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747405 [0,0,0,0,1,0|3,0,0]=4 1375 B12R1.477 CCC(=O)CSCc1ccn[nH]1 62a_100000747405_100000728653 [0,0,0,0,1,0|3,0,0]=4 1376 B12R1.477 CCC(=O)CSCc1ccon1 62a_100000234950_100000747405 [0,0,0,0,1,0|3,0,0]=4 1377 B12R1.477 CCC(=O)CSCc1ccon1 62a_100000747405_100000234950 [0,0,0,0,1,0|3,0,0]=4 1378 B12R1.477 CCC(=O)CSCc1ccsc1 62a_100000747405_100011233845 [0,0,0,0,1,0|3,0,0]=4 1379 B12R1.477 CCC(=O)CSCc1ccsc1 62a_100011261437_100000747405 [0,0,0,0,1,0|3,0,0]=4 1380 B12R1.477 CCC(=O)CSCc1cncs1 62a_100000747405_100015185245 [0,0,0,0,1,0|2,1,0]=4 1381 B12R1.477 CCC(=O)CSCc1cncs1 62a_100015185245_100000747405 [0,0,0,0,1,0|2,1,0]=4 1382 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000205941_100000747405 [0,0,0,0,1,0|3,0,0]=4 1383 B12R1.477 CCC(=O)CSCc1cscn1 62a_100000747405_100000205941 [0,0,0,0,1,0|3,0,0]=4 1384 B12R1.477 CCC(=O)CSCc1ncc[nH]1 62a_100000747405_100016991755 [0,0,0,0,1,0|3,0,0]=4 1385 B12R1.477 CCC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747405 [0,0,0,0,1,0|3,0,0]=4 1386 B12R1.477 CCC(=O)CSCc1ncco1 62a_100000747405_103436540062 [0,0,0,0,1,0|2,0,0]=3 1387 B12R1.477 CCC(=O)CSCc1ncco1 62a_103436540062_100000747405 [0,0,0,0,1,0|2,0,0]=3 1388 B12R1.477 CCC(=O)CSCc1nccs1 62a_100000747405_100015184050 [0,0,0,0,1,0|2,1,0]=4 1389 B12R1.477 CCC(=O)CSCc1nccs1 62a_100015184050_100000747405 [0,0,0,0,1,0|2,1,0]=4 1390 B12R1.477 CCC(=O)NCCc1ccco1 11a_100000694680_100000210414 [0,0,0,0,1,0|2,0,0]=3 1391 B12R1.477 CCC(=O)NCCc1ccco1 1626a_100000694680_100000210414 [0,0,0,0,1,0|2,0,0]=3 1392 B12R1.477 CCC(=O)NCCc1ccco1 240690a_100000694680_100000210414 [0,0,0,0,1,0|2,0,0]=3 1393 B12R1.477 CCC(=O)NCCc1ccco1 527a_100000694680_100000210414 [0,0,0,0,1,0|2,0,0]=3 1394 B12R1.477 CCC(=O)NCCc1cccs1 11a_100000203755_100000210414 [0,0,0,0,1,0|2,1,0]=4 1395 B12R1.477 CCC(=O)NCCc1cccs1 1626a_100000203755_100000210414 [0,0,0,0,1,0|2,1,0]=4 1396 B12R1.477 CCC(=O)NCCc1cccs1 240690a_100000203755_100000210414 [0,0,0,0,1,0|2,1,0]=4 1397 B12R1.477 CCC(=O)NCCc1cccs1 527a_100000203755_100000210414 [0,0,0,0,1,0|2,1,0]=4 1398 B12R1.477 CNC(=O)CCCc1cccs1 11a_106832991635_100000184482 [0,0,0,0,1,0|1,1,0]=3 1399 B12R1.477 CNC(=O)CCCc1cccs1 1626a_100102657272_100000184482 [0,0,0,0,1,0|1,1,0]=3 1400 B12R1.477 CNC(=O)CCCc1cccs1 240690a_100102657272_100000184482 [0,0,0,0,1,0|1,1,0]=3 1401 B12R1.477 CNC(=O)CCCc1cccs1 527a_100102657272_100000184482 [0,0,0,0,1,0|1,1,0]=3 1402 B12R1.477 CNC(=O)CCCn1cccc1 11a_106832991635_100000691410 [0,0,0,0,1,0|3,0,0]=4 1403 B12R1.477 CNC(=O)CCCn1cccc1 1626a_100102657272_100000691410 [0,0,0,0,1,0|3,0,0]=4 1404 B12R1.477 CNC(=O)CCCn1cccc1 527a_100102657272_100000691410 [0,0,0,0,1,0|3,0,0]=4 1405 B12R1.477 CNC(=O)CCCn1cccn1 11a_106832991635_100000742828 [0,0,0,0,1,0|3,0,0]=4 1406 B12R1.477 CNC(=O)CCCn1cccn1 1626a_100102657272_100000742828 [0,0,0,0,1,0|3,0,0]=4 1407 B12R1.477 CNC(=O)CCCn1cccn1 240690a_100102657272_100000742828 [0,0,0,0,1,0|3,0,0]=4 1408 B12R1.477 CNC(=O)CCCn1cccn1 527a_100102657272_100000742828 [0,0,0,0,1,0|3,0,0]=4 1409 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000737683_100000756875 [0,0,0,0,1,0|3,0,0]=4 1410 B12R1.477 CNC(=O)CCSc1c[nH]cn1 62a_100000756875_100000737683 [0,0,0,0,1,0|3,0,0]=4 1411 B12R1.477 CNC(=O)CCSc1cc[nH]n1 62a_100000062575_100000737683 [0,0,0,0,1,0|3,0,0]=4 1412 B12R1.477 CNC(=O)CCSc1cc[nH]n1 62a_100000737683_100000062575 [0,0,0,0,1,0|3,0,0]=4 1413 B12R1.477 CNC(=O)CCSc1ccco1 62a_100000737683_100009814098 [0,0,0,0,1,0|1,0,0]=2 1414 B12R1.477 CNC(=O)CCSc1ccco1 62a_100009814098_100000737683 [0,0,0,0,1,0|1,0,0]=2 1415 B12R1.477 CNC(=O)CCSc1cccs1 62a_100000737683_100011215356 [0,0,0,0,1,0|1,1,0]=3 1416 B12R1.477 CNC(=O)CCSc1cccs1 62a_100011215356_100000737683 [0,0,0,0,1,0|1,1,0]=3 1417 B12R1.477 CNC(=O)CCSc1ccoc1 62a_100000737683_100011215275 [0,0,0,0,1,0|3,0,0]=4 1418 B12R1.477 CNC(=O)CCSc1ccoc1 62a_100011215275_100000737683 [0,0,0,0,1,0|3,0,0]=4 1419 B12R1.477 CNC(=O)CCSc1ccon1 62a_100000737683_100009818083 [0,0,0,0,1,0|3,0,0]=4 1420 B12R1.477 CNC(=O)CCSc1ccon1 62a_100009818083_100000737683 [0,0,0,0,1,0|3,0,0]=4 1421 B12R1.477 CNC(=O)CCSc1ccsc1 62a_100000737683_100000738268 [0,0,0,0,1,0|3,0,0]=4 1422 B12R1.477 CNC(=O)CCSc1ccsc1 62a_100000738268_100000737683 [0,0,0,0,1,0|3,0,0]=4 1423 B12R1.477 CNC(=O)CCSc1ccsn1 62a_100000737683_100009818082 [0,0,0,0,1,0|3,0,0]=4 1424 B12R1.477 CNC(=O)CCSc1ccsn1 62a_100009818082_100000737683 [0,0,0,0,1,0|3,0,0]=4 1425 B12R1.477 CNC(=O)CCSc1cnco1 62a_100000737683_100020591547 [0,0,0,0,1,0|2,0,0]=3 1426 B12R1.477 CNC(=O)CCSc1cnco1 62a_100020591547_100000737683 [0,0,0,0,1,0|2,0,0]=3 1427 B12R1.477 CNC(=O)CCSc1cncs1 62a_100000737683_100011934649 [0,0,0,0,1,0|2,1,0]=4 1428 B12R1.477 CNC(=O)CCSc1cncs1 62a_100011934649_100000737683 [0,0,0,0,1,0|2,1,0]=4 1429 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000737683_100000751502 [0,0,0,0,1,0|3,0,0]=4 1430 B12R1.477 CNC(=O)CCSc1cscn1 62a_100000751502_100000737683 [0,0,0,0,1,0|3,0,0]=4 1431 B12R1.477 CNC(=O)CCSc1ncc[nH]1 62a_100000737683_100025796157 [0,0,0,0,1,0|3,0,0]=4 1432 B12R1.477 CNC(=O)CCSc1ncc[nH]1 62a_100025796157_100000737683 [0,0,0,0,1,0|3,0,0]=4 1433 B12R1.477 CNC(=O)CCSc1ncco1 62a_100000737683_100011787736 [0,0,0,0,1,0|2,0,0]=3 1434 B12R1.477 CNC(=O)CCSc1ncco1 62a_100011787736_100000737683 [0,0,0,0,1,0|2,0,0]=3 1435 B12R1.477 CNC(=O)CCSc1nccs1 62a_100000211983_100000737683 [0,0,0,0,1,0|2,1,0]=4 1436 B12R1.477 CNC(=O)CCSc1nccs1 62a_100000737683_100000211983 [0,0,0,0,1,0|2,1,0]=4 1437 B12R1.477 CNC(=O)CNCc1ccco1 207a_100000693194_100000186105 [0,0,0,0,1,0|2,0,0]=3 1438 B12R1.477 CNC(=O)CNCc1ccco1 2230a_100000185738_100000183359 [0,0,0,0,1,0|2,0,0]=3 1439 B12R1.477 CNC(=O)CNCc1ccco1 270004a_100000693194_100000186105 [0,0,0,0,1,0|2,0,0]=3 1440 B12R1.477 CNC(=O)CNCc1ccco1 34a_100000185738_100000183359 [0,0,0,0,1,0|2,0,0]=3 1441 B12R1.477 CNC(=O)CNCc1cccs1 207a_100000693194_100000209959 [0,0,0,0,1,0|2,1,0]=4 1442 B12R1.477 CNC(=O)CNCc1cccs1 2230a_100000211653_100000183359 [0,0,0,0,1,0|2,1,0]=4 1443 B12R1.477 CNC(=O)CNCc1cccs1 270004a_100000693194_100000209959 [0,0,0,0,1,0|2,1,0]=4 1444 B12R1.477 CNC(=O)CNCc1cnco1 270004a_100000693194_100000064291 [0,0,0,0,1,0|3,0,0]=4 1445 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100000693194_103436540062 [0,0,0,0,1,0|3,0,0]=4 1446 B12R1.477 CNC(=O)CNCc1ncco1 2230a_100016994969_100000183359 [0,0,0,0,1,0|3,0,0]=4 1447 B12R1.477 CNC(=O)CNCc1ncco1 270004a_100000693194_100000064290 [0,0,0,0,1,0|3,0,0]=4 1448 B12R1.477 CNC(=O)COCc1ccco1 34a_100000210059_100000183359 [0,0,0,0,1,0|1,1,0]=3 1449 B12R1.477 CNC(=O)COCc1cccs1 34a_100000211240_100000183359 [0,0,0,0,1,0|1,2,0]=4 1450 B12R1.477 CNC(=O)COCc1ccno1 34a_100000740478_100000183359 [0,0,0,0,1,0|2,1,0]=4 1451 B12R1.477 CNC(=O)COCc1ncco1 34a_100000062594_100000183359 [0,0,0,0,1,0|2,1,0]=4 1452 B12R1.477 CNC(=O)COCc1ncco1 34a_100000750040_103436540062 [0,0,0,0,1,0|2,1,0]=4 1453 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000183359_100000707719 [0,0,0,0,1,0|3,0,0]=4 1454 B12R1.477 CNC(=O)CSCc1c[nH]cn1 62a_100000707719_100000183359 [0,0,0,0,1,0|3,0,0]=4 1455 B12R1.477 CNC(=O)CSCc1ccn[nH]1 62a_100000183359_100000728653 [0,0,0,0,1,0|3,0,0]=4 1456 B12R1.477 CNC(=O)CSCc1ccn[nH]1 62a_100000728653_100000183359 [0,0,0,0,1,0|3,0,0]=4 1457 B12R1.477 CNC(=O)CSCc1ccon1 62a_100000183359_100000234950 [0,0,0,0,1,0|3,0,0]=4 1458 B12R1.477 CNC(=O)CSCc1ccon1 62a_100000234950_100000183359 [0,0,0,0,1,0|3,0,0]=4 1459 B12R1.477 CNC(=O)CSCc1ccsc1 62a_100000183359_100011233845 [0,0,0,0,1,0|3,0,0]=4 1460 B12R1.477 CNC(=O)CSCc1ccsc1 62a_100011261437_100000183359 [0,0,0,0,1,0|3,0,0]=4 1461 B12R1.477 CNC(=O)CSCc1cncs1 62a_100000183359_100015185245 [0,0,0,0,1,0|2,1,0]=4 1462 B12R1.477 CNC(=O)CSCc1cncs1 62a_100015185245_100000183359 [0,0,0,0,1,0|2,1,0]=4 1463 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000183359_100000205941 [0,0,0,0,1,0|3,0,0]=4 1464 B12R1.477 CNC(=O)CSCc1cscn1 62a_100000205941_100000183359 [0,0,0,0,1,0|3,0,0]=4 1465 B12R1.477 CNC(=O)CSCc1ncc[nH]1 62a_100000183359_100016991755 [0,0,0,0,1,0|3,0,0]=4 1466 B12R1.477 CNC(=O)CSCc1ncc[nH]1 62a_100016991755_100000183359 [0,0,0,0,1,0|3,0,0]=4 1467 B12R1.477 CNC(=O)CSCc1ncco1 62a_100000183359_103436540062 [0,0,0,0,1,0|2,0,0]=3 1468 B12R1.477 CNC(=O)CSCc1ncco1 62a_103436540062_100000183359 [0,0,0,0,1,0|2,0,0]=3 1469 B12R1.477 CNC(=O)CSCc1nccs1 62a_100000183359_100015184050 [0,0,0,0,1,0|2,1,0]=4 1470 B12R1.477 CNC(=O)CSCc1nccs1 62a_100015184050_100000183359 [0,0,0,0,1,0|2,1,0]=4 1471 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100000694680_106832991635 [0,0,0,0,1,0|2,0,0]=3 1472 B12R1.477 CNC(=O)NCCc1ccco1 2708a_100102657272_100000694680 [0,0,0,0,1,0|2,0,0]=3 1473 B12R1.477 CNC(=O)NCCc1ccco1 273464a_100000694680_100102657272 [0,0,0,0,1,0|2,0,0]=3 1474 B12R1.477 CNC(=O)NCCc1ccco1 512a_100000694680_100102657272 [0,0,0,0,1,0|2,0,0]=3 1475 B12R1.477 CNC(=O)NCCc1ccco1 512a_106832991638_100000694680 [0,0,0,0,1,0|2,0,0]=3 1476 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100000203755_106832991635 [0,0,0,0,1,0|2,1,0]=4 1477 B12R1.477 CNC(=O)NCCc1cccs1 2708a_100102657272_100000203755 [0,0,0,0,1,0|2,1,0]=4 1478 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100000203755_100102657272 [0,0,0,0,1,0|2,1,0]=4 1479 B12R1.477 CNC(=O)NCCc1cccs1 273464a_100102657272_100000203755 [0,0,0,0,1,0|2,1,0]=4 1480 B12R1.477 CNC(=O)NCCc1cccs1 512a_100000203755_100102657272 [0,0,0,0,1,0|2,1,0]=4 1481 B12R1.477 CNC(=O)NCCc1cccs1 512a_106832991638_100000203755 [0,0,0,0,1,0|2,1,0]=4 1482 B12R1.477 CNC(C)CSCc1ccco1 270004a_106832991635_200000149978 [0,0,0,0,1,0|2,0,1]=4 1483 B12R1.477 COC(=O)CCCN1CC=CC1 269982a_100015195280_100011218270 [0,0,0,0,1,0|2,0,1]=4 1484 B12R1.477 COC(=O)CCOc1ccsc1 34a_100000106738_100000742370 [0,0,0,0,1,0|2,1,0]=4 1485 B12R1.477 COC(=O)CCOc1ccsc1 7a_100000106738_100000204255 [0,0,0,0,1,0|2,1,0]=4 1486 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000204255_100000756875 [0,0,0,0,1,0|2,0,0]=3 1487 B12R1.477 COC(=O)CCSc1c[nH]cn1 62a_100000756875_100000204255 [0,0,0,0,1,0|2,0,0]=3 1488 B12R1.477 COC(=O)CCSc1c[nH]nn1 62a_100000204255_100009819707 [0,0,0,0,1,0|3,0,0]=4 1489 B12R1.477 COC(=O)CCSc1c[nH]nn1 62a_100009819707_100000204255 [0,0,0,0,1,0|3,0,0]=4 1490 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000062575_100000204255 [0,0,0,0,1,0|2,0,0]=3 1491 B12R1.477 COC(=O)CCSc1cc[nH]n1 62a_100000204255_100000062575 [0,0,0,0,1,0|2,0,0]=3 1492 B12R1.477 COC(=O)CCSc1ccco1 62a_100000204255_100009814098 [0,0,0,0,1,0|0,0,0]=1 1493 B12R1.477 COC(=O)CCSc1ccco1 62a_100009814098_100000204255 [0,0,0,0,1,0|0,0,0]=1 1494 B12R1.477 COC(=O)CCSc1cccs1 62a_100000204255_100011215356 [0,0,0,0,1,0|0,1,0]=2 1495 B12R1.477 COC(=O)CCSc1cccs1 62a_100011215356_100000204255 [0,0,0,0,1,0|0,1,0]=2 1496 B12R1.477 COC(=O)CCSc1ccoc1 62a_100000204255_100011215275 [0,0,0,0,1,0|2,0,0]=3 1497 B12R1.477 COC(=O)CCSc1ccoc1 62a_100011215275_100000204255 [0,0,0,0,1,0|2,0,0]=3 1498 B12R1.477 COC(=O)CCSc1ccon1 62a_100000204255_100009818083 [0,0,0,0,1,0|2,0,0]=3 1499 B12R1.477 COC(=O)CCSc1ccon1 62a_100009818083_100000204255 [0,0,0,0,1,0|2,0,0]=3 1500 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000204255_100000738268 [0,0,0,0,1,0|2,0,0]=3 1501 B12R1.477 COC(=O)CCSc1ccsc1 62a_100000738268_100000204255 [0,0,0,0,1,0|2,0,0]=3 1502 B12R1.477 COC(=O)CCSc1ccsn1 62a_100000204255_100009818082 [0,0,0,0,1,0|2,0,0]=3 1503 B12R1.477 COC(=O)CCSc1ccsn1 62a_100009818082_100000204255 [0,0,0,0,1,0|2,0,0]=3 1504 B12R1.477 COC(=O)CCSc1cn[nH]c1 62a_100000204255_100000238712 [0,0,0,0,1,0|3,0,0]=4 1505 B12R1.477 COC(=O)CCSc1cn[nH]c1 62a_100000238712_100000204255 [0,0,0,0,1,0|3,0,0]=4 1506 B12R1.477 COC(=O)CCSc1cnco1 62a_100000204255_100020591547 [0,0,0,0,1,0|1,0,0]=2 1507 B12R1.477 COC(=O)CCSc1cnco1 62a_100020591547_100000204255 [0,0,0,0,1,0|1,0,0]=2 1508 B12R1.477 COC(=O)CCSc1cncs1 62a_100000204255_100011934649 [0,0,0,0,1,0|1,1,0]=3 1509 B12R1.477 COC(=O)CCSc1cncs1 62a_100011934649_100000204255 [0,0,0,0,1,0|1,1,0]=3 1510 B12R1.477 COC(=O)CCSc1cnoc1 62a_100000204255_100009815712 [0,0,0,0,1,0|3,0,0]=4 1511 B12R1.477 COC(=O)CCSc1cnoc1 62a_100009815712_100000204255 [0,0,0,0,1,0|3,0,0]=4 1512 B12R1.477 COC(=O)CCSc1cnsc1 62a_100000204255_100009815736 [0,0,0,0,1,0|3,0,0]=4 1513 B12R1.477 COC(=O)CCSc1cnsc1 62a_100009815736_100000204255 [0,0,0,0,1,0|3,0,0]=4 1514 B12R1.477 COC(=O)CCSc1cscn1 62a_100000204255_100000751502 [0,0,0,0,1,0|2,0,0]=3 1515 B12R1.477 COC(=O)CCSc1cscn1 62a_100000751502_100000204255 [0,0,0,0,1,0|2,0,0]=3 1516 B12R1.477 COC(=O)CCSc1nc[nH]n1 62a_100000204255_100000761765 [0,0,0,0,1,0|3,0,0]=4 1517 B12R1.477 COC(=O)CCSc1nc[nH]n1 62a_100000761765_100000204255 [0,0,0,0,1,0|3,0,0]=4 1518 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100000204255_100025796157 [0,0,0,0,1,0|2,0,0]=3 1519 B12R1.477 COC(=O)CCSc1ncc[nH]1 62a_100025796157_100000204255 [0,0,0,0,1,0|2,0,0]=3 1520 B12R1.477 COC(=O)CCSc1ncco1 62a_100000204255_100011787736 [0,0,0,0,1,0|1,0,0]=2 1521 B12R1.477 COC(=O)CCSc1ncco1 62a_100011787736_100000204255 [0,0,0,0,1,0|1,0,0]=2 1522 B12R1.477 COC(=O)CCSc1nccs1 62a_100000204255_100000211983 [0,0,0,0,1,0|1,1,0]=3 1523 B12R1.477 COC(=O)CCSc1nccs1 62a_100000211983_100000204255 [0,0,0,0,1,0|1,1,0]=3 1524 B12R1.477 COC(=O)CCSc1ncns1 62a_100000204255_100000693119 [0,0,0,0,1,0|2,1,0]=4 1525 B12R1.477 COC(=O)CCSc1ncns1 62a_100000693119_100000204255 [0,0,0,0,1,0|2,1,0]=4 1526 B12R1.477 COC(=O)CCSc1nncs1 62a_100000204255_100000739804 [0,0,0,0,1,0|2,1,0]=4 1527 B12R1.477 COC(=O)CCSc1nncs1 62a_100000739804_100000204255 [0,0,0,0,1,0|2,1,0]=4 1528 B12R1.477 COC(=O)CNCc1ccco1 2230a_100000185738_100000747449 [0,0,0,0,1,0|1,0,0]=2 1529 B12R1.477 COC(=O)CNCc1ccco1 34a_100000185738_100000747449 [0,0,0,0,1,0|1,0,0]=2 1530 B12R1.477 COC(=O)CNCc1cccs1 2230a_100000211653_100000747449 [0,0,0,0,1,0|1,1,0]=3 1531 B12R1.477 COC(=O)CNCc1ccoc1 2230a_100015206860_100000747449 [0,0,0,0,1,0|3,0,0]=4 1532 B12R1.477 COC(=O)CNCc1ccoc1 34a_100015206860_100000747449 [0,0,0,0,1,0|3,0,0]=4 1533 B12R1.477 COC(=O)CNCc1ccsc1 2230a_100000186416_100000747449 [0,0,0,0,1,0|3,0,0]=4 1534 B12R1.477 COC(=O)CNCc1ccsc1 34a_100000186416_100000747449 [0,0,0,0,1,0|3,0,0]=4 1535 B12R1.477 COC(=O)CNCc1cncs1 2230a_100016987365_100000747449 [0,0,0,0,1,0|2,1,0]=4 1536 B12R1.477 COC(=O)CNCc1cscn1 2230a_100015185402_100000747449 [0,0,0,0,1,0|3,0,0]=4 1537 B12R1.477 COC(=O)CNCc1ncco1 2230a_100016994969_100000747449 [0,0,0,0,1,0|2,0,0]=3 1538 B12R1.477 COC(=O)CNCc1nccs1 2230a_100000740555_100000747449 [0,0,0,0,1,0|2,1,0]=4 1539 B12R1.477 COC(=O)COCc1ccco1 34a_100000210059_100000747449 [0,0,0,0,1,0|0,1,0]=2 1540 B12R1.477 COC(=O)COCc1cccs1 34a_100000211240_100000747449 [0,0,0,0,1,0|0,2,0]=3 1541 B12R1.477 COC(=O)COCc1ccno1 34a_100000740478_100000747449 [0,0,0,0,1,0|1,1,0]=3 1542 B12R1.477 COC(=O)COCc1ccoc1 34a_100011215357_100000747449 [0,0,0,0,1,0|2,1,0]=4 1543 B12R1.477 COC(=O)COCc1ccsc1 34a_100011215551_100000747449 [0,0,0,0,1,0|2,1,0]=4 1544 B12R1.477 COC(=O)COCc1ncco1 34a_100000062594_100000747449 [0,0,0,0,1,0|1,1,0]=3 1545 B12R1.477 COC(=O)COCn1cccn1 34a_100000731028_100000747449 [0,0,0,0,1,0|2,1,0]=4 1546 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000707719_100000747449 [0,0,0,0,1,0|2,0,0]=3 1547 B12R1.477 COC(=O)CSCc1c[nH]cn1 62a_100000747449_100000707719 [0,0,0,0,1,0|2,0,0]=3 1548 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000728653_100000747449 [0,0,0,0,1,0|2,0,0]=3 1549 B12R1.477 COC(=O)CSCc1ccn[nH]1 62a_100000747449_100000728653 [0,0,0,0,1,0|2,0,0]=3 1550 B12R1.477 COC(=O)CSCc1ccon1 62a_100000234950_100000747449 [0,0,0,0,1,0|2,0,0]=3 1551 B12R1.477 COC(=O)CSCc1ccon1 62a_100000747449_100000234950 [0,0,0,0,1,0|2,0,0]=3 1552 B12R1.477 COC(=O)CSCc1ccsc1 62a_100000747449_100011233845 [0,0,0,0,1,0|2,0,0]=3 1553 B12R1.477 COC(=O)CSCc1ccsc1 62a_100011261437_100000747449 [0,0,0,0,1,0|2,0,0]=3 1554 B12R1.477 COC(=O)CSCc1cncs1 62a_100000747449_100015185245 [0,0,0,0,1,0|1,1,0]=3 1555 B12R1.477 COC(=O)CSCc1cncs1 62a_100015185245_100000747449 [0,0,0,0,1,0|1,1,0]=3 1556 B12R1.477 COC(=O)CSCc1cscn1 62a_100000205941_100000747449 [0,0,0,0,1,0|2,0,0]=3 1557 B12R1.477 COC(=O)CSCc1cscn1 62a_100000747449_100000205941 [0,0,0,0,1,0|2,0,0]=3 1558 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100000747449_100016991755 [0,0,0,0,1,0|2,0,0]=3 1559 B12R1.477 COC(=O)CSCc1ncc[nH]1 62a_100016991755_100000747449 [0,0,0,0,1,0|2,0,0]=3 1560 B12R1.477 COC(=O)CSCc1ncco1 62a_100000747449_103436540062 [0,0,0,0,1,0|1,0,0]=2 1561 B12R1.477 COC(=O)CSCc1ncco1 62a_103436540062_100000747449 [0,0,0,0,1,0|1,0,0]=2 1562 B12R1.477 COC(=O)CSCc1nccs1 62a_100000747449_100015184050 [0,0,0,0,1,0|1,1,0]=3 1563 B12R1.477 COC(=O)CSCc1nccs1 62a_100015184050_100000747449 [0,0,0,0,1,0|1,1,0]=3 1564 B12R1.477 COC(=O)CSCc1ncon1 62a_100000233494_100000747449 [0,0,0,0,1,0|3,0,0]=4 1565 B12R1.477 COC(=O)CSCc1ncon1 62a_100000747449_100000233494 [0,0,0,0,1,0|3,0,0]=4 1566 B12R1.477 COC(=O)CSCn1cncn1 62a_100000747449_200020645497 [0,0,0,0,1,0|3,0,0]=4 1567 B12R1.477 COC(=O)CSCn1cncn1 62a_200020645497_100000747449 [0,0,0,0,1,0|3,0,0]=4 1568 B12R1.477 COC(=O)OCSc1c[nH]cn1 62a_100000756875_100000139417 [0,0,0,0,1,0|3,0,0]=4 1569 B12R1.477 COC(=O)OCSc1cc[nH]n1 62a_100000062575_100000139417 [0,0,0,0,1,0|3,0,0]=4 1570 B12R1.477 COC(=O)OCSc1ccco1 62a_100009814098_100000139417 [0,0,0,0,1,0|1,0,0]=2 1571 B12R1.477 COC(=O)OCSc1cccs1 62a_100011215356_100000139417 [0,0,0,0,1,0|1,1,0]=3 1572 B12R1.477 COC(=O)OCSc1ccoc1 62a_100011215275_100000139417 [0,0,0,0,1,0|3,0,0]=4 1573 B12R1.477 COC(=O)OCSc1ccon1 62a_100009818083_100000139417 [0,0,0,0,1,0|3,0,0]=4 1574 B12R1.477 COC(=O)OCSc1ccsc1 62a_100000738268_100000139417 [0,0,0,0,1,0|3,0,0]=4 1575 B12R1.477 COC(=O)OCSc1ccsn1 62a_100009818082_100000139417 [0,0,0,0,1,0|3,0,0]=4 1576 B12R1.477 COC(=O)OCSc1cnco1 62a_100020591547_100000139417 [0,0,0,0,1,0|2,0,0]=3 1577 B12R1.477 COC(=O)OCSc1cncs1 62a_100011934649_100000139417 [0,0,0,0,1,0|2,1,0]=4 1578 B12R1.477 COC(=O)OCSc1cscn1 62a_100000751502_100000139417 [0,0,0,0,1,0|3,0,0]=4 1579 B12R1.477 COC(=O)OCSc1ncc[nH]1 62a_100025796157_100000139417 [0,0,0,0,1,0|3,0,0]=4 1580 B12R1.477 COC(=O)OCSc1ncco1 62a_100011787736_100000139417 [0,0,0,0,1,0|2,0,0]=3 1581 B12R1.477 COC(=O)OCSc1nccs1 62a_100000211983_100000139417 [0,0,0,0,1,0|2,1,0]=4 1582 B12R1.477 CO[C@H](C)CNCc1ccco1 207a_100020591295_100000186105 [0,0,0,0,1,0|2,0,1]=4 1583 B12R1.477 CO[C@H](C)CNCc1ccco1 270004a_100020591295_100000186105 [0,0,0,0,1,0|2,0,1]=4 1584 B12R1.477 O=C(CF)CCCc1cccs1 1458a_100000184482_100015361967 [0,0,0,0,1,0|2,1,0]=4 1585 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,0,0,0,1,0|2,1,0]=4 1586 B12R1.477 O=C(CO)NCCc1ccco1 240690a_100000694680_100000210174 [0,0,0,0,1,0|3,0,0]=4 1587 B12R1.477 O=C(CO)NCCc1ccco1 527a_100000694680_100000210174 [0,0,0,0,1,0|3,0,0]=4 1588 B14R1.716 C#CC(=O)CCSCc1ccccc1 1458a_100000211873_200011297719 [0,0,0,0,0,1|2,0,1]=4 1589 B14R1.716 C=CC(=O)CCSCc1ccccc1 1458a_100000185746_200011297719 [0,0,0,0,0,1|2,0,1]=4 1590 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,0,0,0,0,1|3,0,0]=4 1591 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,0,0,0,0,1|3,0,0]=4 1592 B14R1.716 CCC(=O)CCCCc1ccncc1 1458a_100000210414_100020630000 [0,0,0,0,0,1|3,0,0]=4 1593 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,0,0,0,0,1|2,1,0]=4 1594 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,0,0,0,0,1|2,1,0]=4 1595 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [0,0,0,0,0,1|2,0,0]=3 1596 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [0,0,0,0,0,1|2,0,0]=3 1597 B14R1.716 CCC(=O)CCSCc1ccccn1 1458a_100000742633_100000210202 [0,0,0,0,0,1|2,0,0]=3 1598 B14R1.716 CCC(=O)CCSSc1ccccn1 1458a_100000068049_100000210202 [0,0,0,0,0,1|3,0,0]=4 1599 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,0,0,0,0,1|3,0,0]=4 1600 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,0,0,0,0,1|3,0,0]=4 1601 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,0,0,0,0,1|3,0,0]=4 1602 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,0,0,0,0,1|3,0,0]=4 1603 B14R1.716 CNC(=O)CCNCc1ccccc1 207a_100000738227_100015611070 [0,0,0,0,0,1|3,0,0]=4 1604 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100000738227_100015291786 [0,0,0,0,0,1|3,0,0]=4 1605 B14R1.716 CNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737683 [0,0,0,0,0,1|3,0,0]=4 1606 B14R1.716 CNC(=O)CCNCc1ccccc1 270004a_100000738227_100015611070 [0,0,0,0,0,1|3,0,0]=4 1607 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100000738227_100015291786 [0,0,0,0,0,1|3,0,0]=4 1608 B14R1.716 CNC(=O)CCNCc1ccccc1 34a_100015324214_100012179268 [0,0,0,0,0,1|3,0,0]=4 1609 B14R1.716 CNC(=O)CCNCc1ccccn1 207a_100000738227_100000209966 [0,0,0,0,0,1|3,0,0]=4 1610 B14R1.716 CNC(=O)CCNCc1ccccn1 2230a_100000738227_100000721315 [0,0,0,0,0,1|3,0,0]=4 1611 B14R1.716 CNC(=O)CCNCc1ccccn1 270004a_100000738227_100000209966 [0,0,0,0,0,1|3,0,0]=4 1612 B14R1.716 CNC(=O)CCNCc1ccccn1 34a_100000738227_100000721315 [0,0,0,0,0,1|3,0,0]=4 1613 B14R1.716 CNC(=O)CCNCc1cccnc1 207a_100000738227_100000209961 [0,0,0,0,0,1|3,0,0]=4 1614 B14R1.716 CNC(=O)CCNCc1cccnc1 2230a_100000738227_100000741622 [0,0,0,0,0,1|3,0,0]=4 1615 B14R1.716 CNC(=O)CCNCc1cccnc1 270004a_100000738227_100000209961 [0,0,0,0,0,1|3,0,0]=4 1616 B14R1.716 CNC(=O)CCNCc1cccnc1 34a_100000738227_100000733263 [0,0,0,0,0,1|3,0,0]=4 1617 B14R1.716 CNC(=O)CCNCc1cccnn1 2230a_100000738227_100016990269 [0,0,0,0,0,1|3,0,0]=4 1618 B14R1.716 CNC(=O)CCNCc1cccnn1 2230a_100159270163_100000737683 [0,0,0,0,0,1|3,0,0]=4 1619 B14R1.716 CNC(=O)CCNCc1cccnn1 34a_100000738227_100016990269 [0,0,0,0,0,1|3,0,0]=4 1620 B14R1.716 CNC(=O)CCNCc1ccncc1 207a_100000738227_100000186114 [0,0,0,0,0,1|3,0,0]=4 1621 B14R1.716 CNC(=O)CCNCc1ccncc1 2230a_100000738227_100015193705 [0,0,0,0,0,1|3,0,0]=4 1622 B14R1.716 CNC(=O)CCNCc1cnccn1 2230a_100000738227_100016995436 [0,0,0,0,0,1|3,0,0]=4 1623 B14R1.716 CNC(=O)CCNCc1cnccn1 270004a_100000738227_100000749867 [0,0,0,0,0,1|3,0,0]=4 1624 B14R1.716 CNC(=O)CCNCc1cnccn1 34a_100000738227_100016995436 [0,0,0,0,0,1|3,0,0]=4 1625 B14R1.716 CNC(=O)CCNCc1ncccn1 2230a_100000738227_100000703007 [0,0,0,0,0,1|3,0,0]=4 1626 B14R1.716 CNC(=O)CCNCc1ncccn1 270004a_100000738227_100011532527 [0,0,0,0,0,1|3,0,0]=4 1627 B14R1.716 CNC(=O)CCNCc1ncccn1 34a_100000738227_100000703007 [0,0,0,0,0,1|3,0,0]=4 1628 B14R1.716 CNC(=O)CCOCc1ccccc1 11a_106832991635_100000743319 [0,0,0,0,0,1|2,1,0]=4 1629 B14R1.716 CNC(=O)CCOCc1ccccc1 1626a_100102657272_100000743319 [0,0,0,0,0,1|2,1,0]=4 1630 B14R1.716 CNC(=O)CCOCc1ccccc1 240690a_100102657272_100000743319 [0,0,0,0,0,1|2,1,0]=4 1631 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000210790_100012179268 [0,0,0,0,0,1|2,1,0]=4 1632 B14R1.716 CNC(=O)CCOCc1ccccc1 34a_100000754576_100015291786 [0,0,0,0,0,1|2,1,0]=4 1633 B14R1.716 CNC(=O)CCOCc1ccccc1 527a_100102657272_100000743319 [0,0,0,0,0,1|2,1,0]=4 1634 B14R1.716 CNC(=O)CCOCc1ccccc1 7a_100000210790_100000737683 [0,0,0,0,0,1|2,1,0]=4 1635 B14R1.716 CNC(=O)CCOCc1ccccn1 34a_100000754576_100000721315 [0,0,0,0,0,1|2,1,0]=4 1636 B14R1.716 CNC(=O)CCOCc1cccnc1 34a_100000754576_100000733263 [0,0,0,0,0,1|2,1,0]=4 1637 B14R1.716 CNC(=O)CCOCc1cccnn1 34a_100000754576_100016990269 [0,0,0,0,0,1|2,1,0]=4 1638 B14R1.716 CNC(=O)CCOCc1cnccn1 34a_100000754576_100016995436 [0,0,0,0,0,1|2,1,0]=4 1639 B14R1.716 CNC(=O)CCOCc1ncccn1 34a_100000754576_100000703007 [0,0,0,0,0,1|2,1,0]=4 1640 B14R1.716 CNC(=O)CCSCc1ccccc1 11a_106832991635_100000173759 [0,0,0,0,0,1|2,0,0]=3 1641 B14R1.716 CNC(=O)CCSCc1ccccc1 1626a_100102657272_100000173759 [0,0,0,0,0,1|2,0,0]=3 1642 B14R1.716 CNC(=O)CCSCc1ccccc1 240690a_100102657272_100000173759 [0,0,0,0,0,1|2,0,0]=3 1643 B14R1.716 CNC(=O)CCSCc1ccccc1 527a_100102657272_100000173759 [0,0,0,0,0,1|2,0,0]=3 1644 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000211182_100000737683 [0,0,0,0,0,1|2,0,0]=3 1645 B14R1.716 CNC(=O)CCSCc1ccccc1 62a_100000737683_100015291786 [0,0,0,0,0,1|2,0,0]=3 1646 B14R1.716 CNC(=O)CCSCc1ccccn1 11a_106832991635_100000742633 [0,0,0,0,0,1|2,0,0]=3 1647 B14R1.716 CNC(=O)CCSCc1ccccn1 1626a_100102657272_100000742633 [0,0,0,0,0,1|2,0,0]=3 1648 B14R1.716 CNC(=O)CCSCc1ccccn1 240690a_100102657272_100000742633 [0,0,0,0,0,1|2,0,0]=3 1649 B14R1.716 CNC(=O)CCSCc1ccccn1 62a_100000721315_100000737683 [0,0,0,0,0,1|2,0,0]=3 1650 B14R1.716 CNC(=O)CCSCc1ccccn1 62a_100000737683_100000721315 [0,0,0,0,0,1|2,0,0]=3 1651 B14R1.716 CNC(=O)CCSCc1cccnc1 62a_100000737683_100000741622 [0,0,0,0,0,1|2,0,0]=3 1652 B14R1.716 CNC(=O)CCSCc1cccnc1 62a_100000741622_100000737683 [0,0,0,0,0,1|2,0,0]=3 1653 B14R1.716 CNC(=O)CCSCc1cccnn1 62a_100000737683_100016990269 [0,0,0,0,0,1|2,0,0]=3 1654 B14R1.716 CNC(=O)CCSCc1cccnn1 62a_100016990269_100000737683 [0,0,0,0,0,1|2,0,0]=3 1655 B14R1.716 CNC(=O)CCSCc1ccncc1 62a_100000737683_100015193705 [0,0,0,0,0,1|2,0,0]=3 1656 B14R1.716 CNC(=O)CCSCc1ccncc1 62a_100015193705_100000737683 [0,0,0,0,0,1|2,0,0]=3 1657 B14R1.716 CNC(=O)CCSCc1cnccn1 62a_100000737683_100016995436 [0,0,0,0,0,1|2,0,0]=3 1658 B14R1.716 CNC(=O)CCSCc1cnccn1 62a_100016995436_100000737683 [0,0,0,0,0,1|2,0,0]=3 1659 B14R1.716 CNC(=O)CCSCc1cncnc1 62a_100000737683_100015196519 [0,0,0,0,0,1|3,0,0]=4 1660 B14R1.716 CNC(=O)CCSCc1cncnc1 62a_100015196519_100000737683 [0,0,0,0,0,1|3,0,0]=4 1661 B14R1.716 CNC(=O)CCSCc1ncccn1 62a_100000703007_100000737683 [0,0,0,0,0,1|2,0,0]=3 1662 B14R1.716 CNC(=O)CCSCc1ncccn1 62a_100000737683_100000703007 [0,0,0,0,0,1|2,0,0]=3 1663 B14R1.716 CNC(=O)CCSSc1ccccn1 11a_106832991635_100000068049 [0,0,0,0,0,1|3,0,0]=4 1664 B14R1.716 CNC(=O)CCSSc1ccccn1 1626a_100102657272_100000068049 [0,0,0,0,0,1|3,0,0]=4 1665 B14R1.716 CNC(=O)CCSSc1ccccn1 240690a_100102657272_100000068049 [0,0,0,0,0,1|3,0,0]=4 1666 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,0,0,0,0,1|3,0,0]=4 1667 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,0,0,0,0,1|3,0,0]=4 1668 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,0,0,0,0,1|3,0,0]=4 1669 B14R1.716 COC(=O)CCCOc1cccnc1 34a_100000210849_100000742333 [0,0,0,0,0,1|3,0,0]=4 1670 B14R1.716 COC(=O)CCCOc1cccnc1 7a_100000210849_100011218270 [0,0,0,0,0,1|3,0,0]=4 1671 B14R1.716 COC(=O)CCCOc1ccncc1 34a_100000212176_100000742333 [0,0,0,0,0,1|3,0,0]=4 1672 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,0,0,0,0,1|3,0,0]=4 1673 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,0,0,0,0,1|3,0,0]=4 1674 B14R1.716 COC(=O)CCCSc1ccccn1 62a_100011216584_100011218270 [0,0,0,0,0,1|3,0,0]=4 1675 B14R1.716 COC(=O)CCCSc1ccccn1 62a_100011218270_100011216584 [0,0,0,0,0,1|3,0,0]=4 1676 B14R1.716 COC(=O)CCCSc1cccnc1 62a_100000210063_100011218270 [0,0,0,0,0,1|3,0,0]=4 1677 B14R1.716 COC(=O)CCCSc1cccnc1 62a_100011218270_100000210063 [0,0,0,0,0,1|3,0,0]=4 1678 B14R1.716 COC(=O)CCCSc1cccnn1 62a_100011218270_100016991348 [0,0,0,0,0,1|3,0,0]=4 1679 B14R1.716 COC(=O)CCCSc1cccnn1 62a_100016991348_100011218270 [0,0,0,0,0,1|3,0,0]=4 1680 B14R1.716 COC(=O)CCCSc1ccncc1 62a_100000728582_100011218270 [0,0,0,0,0,1|3,0,0]=4 1681 B14R1.716 COC(=O)CCCSc1ccncc1 62a_100011218270_100000728582 [0,0,0,0,0,1|3,0,0]=4 1682 B14R1.716 COC(=O)CCCSc1ccncn1 62a_100000703185_100011218270 [0,0,0,0,0,1|3,0,0]=4 1683 B14R1.716 COC(=O)CCCSc1ccncn1 62a_100011218270_100000703185 [0,0,0,0,0,1|3,0,0]=4 1684 B14R1.716 COC(=O)CCCSc1cnccn1 62a_100000211759_100011218270 [0,0,0,0,0,1|3,0,0]=4 1685 B14R1.716 COC(=O)CCCSc1cnccn1 62a_100011218270_100000211759 [0,0,0,0,0,1|3,0,0]=4 1686 B14R1.716 COC(=O)CCCSc1ncccn1 62a_100000211032_100011218270 [0,0,0,0,0,1|3,0,0]=4 1687 B14R1.716 COC(=O)CCCSc1ncccn1 62a_100011218270_100000211032 [0,0,0,0,0,1|3,0,0]=4 1688 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,0,0,0,0,1|2,0,0]=3 1689 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,0,0,0,0,1|2,0,0]=3 1690 B14R1.716 COC(=O)CCNCc1cccnn1 2230a_100159270163_100000204255 [0,0,0,0,0,1|2,0,0]=3 1691 B14R1.716 COC(=O)CCNCc1cncnc1 2230a_100011243677_100000204255 [0,0,0,0,0,1|3,0,0]=4 1692 B14R1.716 COC(=O)CCOCC1CCC=CO1 34a_100011217868_100000742370 [0,0,0,0,0,1|0,1,2]=4 1693 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,0,0,0,1|1,1,0]=3 1694 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,0,0,0,1|1,1,0]=3 1695 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,0,0,0,0,1|1,0,0]=2 1696 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,0,0,0,0,1|1,0,0]=2 1697 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000204255_100000721315 [0,0,0,0,0,1|1,0,0]=2 1698 B14R1.716 COC(=O)CCSCc1ccccn1 62a_100000721315_100000204255 [0,0,0,0,0,1|1,0,0]=2 1699 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000204255_100000741622 [0,0,0,0,0,1|1,0,0]=2 1700 B14R1.716 COC(=O)CCSCc1cccnc1 62a_100000741622_100000204255 [0,0,0,0,0,1|1,0,0]=2 1701 B14R1.716 COC(=O)CCSCc1cccnn1 62a_100000204255_100016990269 [0,0,0,0,0,1|1,0,0]=2 1702 B14R1.716 COC(=O)CCSCc1cccnn1 62a_100016990269_100000204255 [0,0,0,0,0,1|1,0,0]=2 1703 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100000204255_100015193705 [0,0,0,0,0,1|1,0,0]=2 1704 B14R1.716 COC(=O)CCSCc1ccncc1 62a_100015193705_100000204255 [0,0,0,0,0,1|1,0,0]=2 1705 B14R1.716 COC(=O)CCSCc1cnccn1 62a_100000204255_100016995436 [0,0,0,0,0,1|1,0,0]=2 1706 B14R1.716 COC(=O)CCSCc1cnccn1 62a_100016995436_100000204255 [0,0,0,0,0,1|1,0,0]=2 1707 B14R1.716 COC(=O)CCSCc1cncnc1 62a_100000204255_100015196519 [0,0,0,0,0,1|2,0,0]=3 1708 B14R1.716 COC(=O)CCSCc1cncnc1 62a_100015196519_100000204255 [0,0,0,0,0,1|2,0,0]=3 1709 B14R1.716 COC(=O)CCSCc1ncccn1 62a_100000204255_100000703007 [0,0,0,0,0,1|1,0,0]=2 1710 B14R1.716 COC(=O)CCSCc1ncccn1 62a_100000703007_100000204255 [0,0,0,0,0,1|1,0,0]=2 1711 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,0,0,0,0,1|3,0,0]=4 1712 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,0,0,0,0,1|3,0,0]=4 1713 B14R1.716 COC(=O)CNCCc1cccnc1 2230a_100000736294_100000747449 [0,0,0,0,0,1|3,0,0]=4 1714 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,0,0,0,0,1|3,0,0]=4 1715 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,0,0,0,0,1|3,0,0]=4 1716 B14R1.716 COC(=O)COCCc1ccccn1 34a_100000210271_100000747449 [0,0,0,0,0,1|3,0,0]=4 1717 B14R1.716 COC(=O)COCCc1cccnc1 34a_100011217484_100000747449 [0,0,0,0,0,1|3,0,0]=4 1718 B14R1.716 COC(=O)COCCc1ccncc1 34a_100011216225_100000747449 [0,0,0,0,0,1|3,0,0]=4 1719 B14R1.716 COC(=O)COCCc1cnccn1 34a_100011349526_100000747449 [0,0,0,0,0,1|3,0,0]=4 1720 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,0,0,0,0,1|3,0,0]=4 1721 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,0,0,0,0,1|3,0,0]=4 1722 B14R1.716 COC(=O)CSCCc1ccccn1 62a_100000747449_100015183660 [0,0,0,0,0,1|3,0,0]=4 1723 B14R1.716 COC(=O)CSCCc1ccccn1 62a_100015183660_100000747449 [0,0,0,0,0,1|3,0,0]=4 1724 B14R1.716 COC(=O)CSCCc1cccnc1 62a_100000747449_200011713674 [0,0,0,0,0,1|3,0,0]=4 1725 B14R1.716 COC(=O)CSCCc1cccnc1 62a_200011713674_100000747449 [0,0,0,0,0,1|3,0,0]=4 1726 B14R1.716 COC(=O)CSCCc1ccncc1 62a_100000723409_100000747449 [0,0,0,0,0,1|3,0,0]=4 1727 B14R1.716 COC(=O)CSCCc1ccncc1 62a_100000747449_100000723409 [0,0,0,0,0,1|3,0,0]=4 1728 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,0,0,0,0,1|2,0,0]=3 1729 B14R1.716 COC(=O)OCSCc1ccccn1 62a_100000721315_100000139417 [0,0,0,0,0,1|2,0,0]=3 1730 B14R1.716 COC(=O)OCSCc1cccnc1 62a_100000741622_100000139417 [0,0,0,0,0,1|2,0,0]=3 1731 B14R1.716 COC(=O)OCSCc1cccnn1 62a_100016990269_100000139417 [0,0,0,0,0,1|2,0,0]=3 1732 B14R1.716 COC(=O)OCSCc1ccncc1 62a_100015193705_100000139417 [0,0,0,0,0,1|2,0,0]=3 1733 B14R1.716 COC(=O)OCSCc1cnccn1 62a_100016995436_100000139417 [0,0,0,0,0,1|2,0,0]=3 1734 B14R1.716 COC(=O)OCSCc1cncnc1 62a_100015196519_100000139417 [0,0,0,0,0,1|3,0,0]=4 1735 B14R1.716 COC(=O)OCSCc1ncccn1 62a_100000703007_100000139417 [0,0,0,0,0,1|2,0,0]=3 1736 B14R1.716 O=C(CF)CCSCc1ccccc1 1458a_100000173759_100015361967 [0,0,0,0,0,1|3,0,0]=4 1737 B14R1.716 O=C(CF)CCSCc1ccccn1 1458a_100000742633_100015361967 [0,0,0,0,0,1|3,0,0]=4 1738 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [0,0,0,0,0,1|3,0,0]=4 1739 B14R1.730 C=CC(=O)NCCNCc1ccco1 207a_114873766552_100000186105 [0,0,0,0,0,1|2,0,1]=4 1740 B14R1.730 C=CC(=O)NCCSCc1ccco1 240690a_100000184675_200121576911 [0,0,0,0,0,1|1,0,1]=3 1741 B14R1.730 C=CC(=O)OCCNCc1ccco1 2230a_100000185738_100009813456 [0,0,0,0,0,1|2,0,1]=4 1742 B14R1.730 C=CC(=O)OCCNCc1ccco1 34a_100000185738_100009813456 [0,0,0,0,0,1|2,0,1]=4 1743 B14R1.730 C=CC(=O)OCCOCc1ccco1 34a_100000210059_100009813456 [0,0,0,0,0,1|1,1,1]=4 1744 B14R1.730 C=CC(=O)OCCSCc1ncco1 62a_100009813456_103436540062 [0,0,0,0,0,1|2,0,1]=4 1745 B14R1.730 C=CC(=O)OCCSCc1ncco1 62a_103436540062_100009813456 [0,0,0,0,0,1|2,0,1]=4 1746 B14R1.730 CCC(=O)COCCCc1cccs1 34a_100000725409_100010992444 [0,0,0,0,0,1|2,1,0]=4 1747 B14R1.730 CCC(=O)COCCCc1cccs1 7a_100011713143_100000747405 [0,0,0,0,0,1|2,1,0]=4 1748 B14R1.730 CCC(=O)CSCCCc1cccs1 62a_100000747405_100010992444 [0,0,0,0,0,1|2,1,0]=4 1749 B14R1.730 CCC(=O)CSCCCc1cccs1 62a_100010992444_100000747405 [0,0,0,0,0,1|2,1,0]=4 1750 B14R1.730 CCC(=O)NCCNCc1ccco1 207a_100132302217_100000186105 [0,0,0,0,0,1|2,0,0]=3 1751 B14R1.730 CCC(=O)NCCNCc1ccco1 270004a_100132302217_100000186105 [0,0,0,0,0,1|2,0,0]=3 1752 B14R1.730 CCC(=O)NCCNCc1cccs1 207a_100132302217_100000209959 [0,0,0,0,0,1|2,1,0]=4 1753 B14R1.730 CCC(=O)NCCNCc1cccs1 270004a_100132302217_100000209959 [0,0,0,0,0,1|2,1,0]=4 1754 B14R1.730 CCC(=O)NCCNCc1cnco1 270004a_100132302217_100000064291 [0,0,0,0,0,1|3,0,0]=4 1755 B14R1.730 CCC(=O)NCCNCc1ncco1 270004a_100132302217_100000064290 [0,0,0,0,0,1|3,0,0]=4 1756 B14R1.730 CCC(=O)NCCNCc1ncco1 34a_100132302217_103436540062 [0,0,0,0,0,1|3,0,0]=4 1757 B14R1.730 CCC(=O)NCCOCc1ncco1 34a_200000158885_103436540062 [0,0,0,0,0,1|2,1,0]=4 1758 B14R1.730 CCC(=O)NCCOCc1ncco1 7a_200000158885_103436540062 [0,0,0,0,0,1|2,1,0]=4 1759 B14R1.730 CCC(=O)NCCSCc1ccco1 11a_100000184675_100000210414 [0,0,0,0,0,1|1,0,0]=2 1760 B14R1.730 CCC(=O)NCCSCc1ccco1 240690a_100000184675_100000210414 [0,0,0,0,0,1|1,0,0]=2 1761 B14R1.730 CCC(=O)NCCSCc1ccco1 527a_100000184675_100000210414 [0,0,0,0,0,1|1,0,0]=2 1762 B14R1.730 CCC(=O)OCCOCc1ncco1 7a_200000031056_103436540062 [0,0,0,0,0,1|2,1,0]=4 1763 B14R1.730 CCC(C)NCCSCc1ccco1 2230a_100000184675_100000758301 [0,0,0,0,0,1|2,0,1]=4 1764 B14R1.730 CCC(C)NCCSCc1ccco1 7a_100000184675_100000758301 [0,0,0,0,0,1|2,0,1]=4 1765 B14R1.730 CNC(=O)CCCNCc1ccco1 207a_100000740002_100000186105 [0,0,0,0,0,1|2,0,0]=3 1766 B14R1.730 CNC(=O)CCCNCc1ccco1 2230a_100000185738_100000741757 [0,0,0,0,0,1|2,0,0]=3 1767 B14R1.730 CNC(=O)CCCNCc1ccco1 270004a_100000740002_100000186105 [0,0,0,0,0,1|2,0,0]=3 1768 B14R1.730 CNC(=O)CCCNCc1ccco1 34a_100000185738_100000741757 [0,0,0,0,0,1|2,0,0]=3 1769 B14R1.730 CNC(=O)CCCNCc1cccs1 207a_100000740002_100000209959 [0,0,0,0,0,1|2,1,0]=4 1770 B14R1.730 CNC(=O)CCCNCc1cccs1 2230a_100000211653_100000741757 [0,0,0,0,0,1|2,1,0]=4 1771 B14R1.730 CNC(=O)CCCNCc1cccs1 270004a_100000740002_100000209959 [0,0,0,0,0,1|2,1,0]=4 1772 B14R1.730 CNC(=O)CCCNCc1cnco1 270004a_100000740002_100000064291 [0,0,0,0,0,1|3,0,0]=4 1773 B14R1.730 CNC(=O)CCCNCc1ncco1 2230a_100000740002_103436540062 [0,0,0,0,0,1|3,0,0]=4 1774 B14R1.730 CNC(=O)CCCNCc1ncco1 2230a_100016994969_100000741757 [0,0,0,0,0,1|3,0,0]=4 1775 B14R1.730 CNC(=O)CCCNCc1ncco1 270004a_100000740002_100000064290 [0,0,0,0,0,1|3,0,0]=4 1776 B14R1.730 CNC(=O)CCCNCc1ncco1 34a_100000740002_103436540062 [0,0,0,0,0,1|3,0,0]=4 1777 B14R1.730 CNC(=O)CCCOCc1ccco1 34a_100000210059_100000741757 [0,0,0,0,0,1|1,1,0]=3 1778 B14R1.730 CNC(=O)CCCOCc1cccs1 34a_100000211240_100000741757 [0,0,0,0,0,1|1,2,0]=4 1779 B14R1.730 CNC(=O)CCCOCc1ccno1 34a_100000740478_100000741757 [0,0,0,0,0,1|2,1,0]=4 1780 B14R1.730 CNC(=O)CCCOCc1ncco1 34a_100000062594_100000741757 [0,0,0,0,0,1|2,1,0]=4 1781 B14R1.730 CNC(=O)CCCSCc1c[nH]cn1 62a_100000707719_100000741757 [0,0,0,0,0,1|3,0,0]=4 1782 B14R1.730 CNC(=O)CCCSCc1c[nH]cn1 62a_100000741757_100000707719 [0,0,0,0,0,1|3,0,0]=4 1783 B14R1.730 CNC(=O)CCCSCc1ccn[nH]1 62a_100000728653_100000741757 [0,0,0,0,0,1|3,0,0]=4 1784 B14R1.730 CNC(=O)CCCSCc1ccn[nH]1 62a_100000741757_100000728653 [0,0,0,0,0,1|3,0,0]=4 1785 B14R1.730 CNC(=O)CCCSCc1ccon1 62a_100000234950_100000741757 [0,0,0,0,0,1|3,0,0]=4 1786 B14R1.730 CNC(=O)CCCSCc1ccon1 62a_100000741757_100000234950 [0,0,0,0,0,1|3,0,0]=4 1787 B14R1.730 CNC(=O)CCCSCc1ccsc1 62a_100000741757_100011233845 [0,0,0,0,0,1|3,0,0]=4 1788 B14R1.730 CNC(=O)CCCSCc1ccsc1 62a_100011261437_100000741757 [0,0,0,0,0,1|3,0,0]=4 1789 B14R1.730 CNC(=O)CCCSCc1cncs1 62a_100000741757_100015185245 [0,0,0,0,0,1|2,1,0]=4 1790 B14R1.730 CNC(=O)CCCSCc1cncs1 62a_100015185245_100000741757 [0,0,0,0,0,1|2,1,0]=4 1791 B14R1.730 CNC(=O)CCCSCc1cscn1 62a_100000205941_100000741757 [0,0,0,0,0,1|3,0,0]=4 1792 B14R1.730 CNC(=O)CCCSCc1cscn1 62a_100000741757_100000205941 [0,0,0,0,0,1|3,0,0]=4 1793 B14R1.730 CNC(=O)CCCSCc1ncc[nH]1 62a_100000741757_100016991755 [0,0,0,0,0,1|3,0,0]=4 1794 B14R1.730 CNC(=O)CCCSCc1ncc[nH]1 62a_100016991755_100000741757 [0,0,0,0,0,1|3,0,0]=4 1795 B14R1.730 CNC(=O)CCCSCc1ncco1 62a_100000741757_103436540062 [0,0,0,0,0,1|2,0,0]=3 1796 B14R1.730 CNC(=O)CCCSCc1ncco1 62a_103436540062_100000741757 [0,0,0,0,0,1|2,0,0]=3 1797 B14R1.730 CNC(=O)CCCSCc1nccs1 62a_100000741757_100015184050 [0,0,0,0,0,1|2,1,0]=4 1798 B14R1.730 CNC(=O)CCCSCc1nccs1 62a_100015184050_100000741757 [0,0,0,0,0,1|2,1,0]=4 1799 B14R1.730 CNC(=O)CCNCCc1ccco1 2230a_100000694680_100000737683 [0,0,0,0,0,1|2,0,0]=3 1800 B14R1.730 CNC(=O)CCNCCc1ccco1 34a_100000694680_100012179268 [0,0,0,0,0,1|2,0,0]=3 1801 B14R1.730 CNC(=O)CCNCCc1cccs1 2230a_100000203755_100000737683 [0,0,0,0,0,1|2,1,0]=4 1802 B14R1.730 CNC(=O)CCNCCc1cccs1 2230a_100000738227_100000748579 [0,0,0,0,0,1|2,1,0]=4 1803 B14R1.730 CNC(=O)CCNCCc1cccs1 34a_100000203755_100012179268 [0,0,0,0,0,1|2,1,0]=4 1804 B14R1.730 CNC(=O)CCNCCc1cccs1 34a_100000738227_100000748579 [0,0,0,0,0,1|2,1,0]=4 1805 B14R1.730 CNC(=O)CCOCCc1cccs1 34a_100000754576_100000748579 [0,0,0,0,0,1|1,2,0]=4 1806 B14R1.730 CNC(=O)CCOCCc1cccs1 34a_100011216825_100012179268 [0,0,0,0,0,1|1,2,0]=4 1807 B14R1.730 CNC(=O)CCOCCc1cccs1 7a_100011216825_100000737683 [0,0,0,0,0,1|1,2,0]=4 1808 B14R1.730 CNC(=O)CCSCCc1c[nH]cn1 62a_100000737683_100020628418 [0,0,0,0,0,1|3,0,0]=4 1809 B14R1.730 CNC(=O)CCSCCc1c[nH]cn1 62a_100020628418_100000737683 [0,0,0,0,0,1|3,0,0]=4 1810 B14R1.730 CNC(=O)CCSCCc1cccs1 62a_100000737683_100000748579 [0,0,0,0,0,1|1,1,0]=3 1811 B14R1.730 CNC(=O)CCSCCc1cccs1 62a_100000748579_100000737683 [0,0,0,0,0,1|1,1,0]=3 1812 B14R1.730 CNC(=O)CCSCCn1cccc1 62a_100000737683_200000035178 [0,0,0,0,0,1|3,0,0]=4 1813 B14R1.730 CNC(=O)CCSCCn1cccc1 62a_200009811947_100000737683 [0,0,0,0,0,1|3,0,0]=4 1814 B14R1.730 CNC(=O)CCSCCn1cccn1 62a_100000737683_100000685285 [0,0,0,0,0,1|3,0,0]=4 1815 B14R1.730 CNC(=O)CCSCCn1cccn1 62a_100015204718_100000737683 [0,0,0,0,0,1|3,0,0]=4 1816 B14R1.730 CNC(=O)CNCC=Cc1ccco1 270004a_100000693194_100000185671 [0,0,0,0,0,1|2,0,1]=4 1817 B14R1.730 CNC(=O)CNCCCc1cccs1 2230a_100000693194_100010992444 [0,0,0,0,0,1|2,1,0]=4 1818 B14R1.730 CNC(=O)COCCCc1cccs1 34a_100000750040_100010992444 [0,0,0,0,0,1|2,1,0]=4 1819 B14R1.730 CNC(=O)COCCCc1cccs1 34a_100011713143_100000183359 [0,0,0,0,0,1|2,1,0]=4 1820 B14R1.730 CNC(=O)COCCCc1cccs1 7a_100011713143_100000183359 [0,0,0,0,0,1|2,1,0]=4 1821 B14R1.730 CNC(=O)CSCCCc1cccs1 62a_100000183359_100010992444 [0,0,0,0,0,1|2,1,0]=4 1822 B14R1.730 CNC(=O)CSCCCc1cccs1 62a_100010992444_100000183359 [0,0,0,0,0,1|2,1,0]=4 1823 B14R1.730 CNC(=O)NCCNCc1ccco1 207a_100015205895_100000186105 [0,0,0,0,0,1|2,0,0]=3 1824 B14R1.730 CNC(=O)NCCNCc1cccs1 207a_100015205895_100000209959 [0,0,0,0,0,1|2,1,0]=4 1825 B14R1.730 CNC(=O)NCCNCc1ncco1 34a_100015205895_103436540062 [0,0,0,0,0,1|3,0,0]=4 1826 B14R1.730 CNC(=O)NCCSCc1ccco1 2708a_100000184675_106832991635 [0,0,0,0,0,1|1,0,0]=2 1827 B14R1.730 CNC(=O)NCCSCc1ccco1 2708a_100102657272_100000184675 [0,0,0,0,0,1|1,0,0]=2 1828 B14R1.730 CNC(=O)NCCSCc1ccco1 273464a_100000184675_100102657272 [0,0,0,0,0,1|1,0,0]=2 1829 B14R1.730 CNC(=O)NCCSCc1ccco1 273464a_100102657272_100000184675 [0,0,0,0,0,1|1,0,0]=2 1830 B14R1.730 CNC(=O)NCCSCc1ccco1 512a_100000184675_100102657272 [0,0,0,0,0,1|1,0,0]=2 1831 B14R1.730 CNC(=O)NCCSCc1ccco1 512a_106832991638_100000184675 [0,0,0,0,0,1|1,0,0]=2 1832 B14R1.730 CNC(=O)OCCNCc1ccco1 34a_100000185738_200011997002 [0,0,0,0,0,1|2,0,0]=3 1833 B14R1.730 CNC(=O)OCCOCc1ccco1 34a_100000210059_200011997002 [0,0,0,0,0,1|1,1,0]=3 1834 B14R1.730 CNC(=O)OCCOCc1cccs1 34a_100000211240_200011997002 [0,0,0,0,0,1|1,2,0]=4 1835 B14R1.730 CNC(=O)OCCOCc1ccno1 34a_100000740478_200011997002 [0,0,0,0,0,1|2,1,0]=4 1836 B14R1.730 CNC(=O)OCCOCc1ncco1 34a_100000062594_200011997002 [0,0,0,0,0,1|2,1,0]=4 1837 B14R1.730 CNC(=O)OCCSCc1c[nH]cn1 62a_100000707719_200011997002 [0,0,0,0,0,1|3,0,0]=4 1838 B14R1.730 CNC(=O)OCCSCc1c[nH]cn1 62a_200011997002_100000707719 [0,0,0,0,0,1|3,0,0]=4 1839 B14R1.730 CNC(=O)OCCSCc1ccn[nH]1 62a_100000728653_200011997002 [0,0,0,0,0,1|3,0,0]=4 1840 B14R1.730 CNC(=O)OCCSCc1ccn[nH]1 62a_200011997002_100000728653 [0,0,0,0,0,1|3,0,0]=4 1841 B14R1.730 CNC(=O)OCCSCc1ccon1 62a_100000234950_200011997002 [0,0,0,0,0,1|3,0,0]=4 1842 B14R1.730 CNC(=O)OCCSCc1ccon1 62a_200011997002_100000234950 [0,0,0,0,0,1|3,0,0]=4 1843 B14R1.730 CNC(=O)OCCSCc1ccsc1 62a_100011261437_200011997002 [0,0,0,0,0,1|3,0,0]=4 1844 B14R1.730 CNC(=O)OCCSCc1ccsc1 62a_200011997002_100011233845 [0,0,0,0,0,1|3,0,0]=4 1845 B14R1.730 CNC(=O)OCCSCc1cncs1 62a_100015185245_200011997002 [0,0,0,0,0,1|2,1,0]=4 1846 B14R1.730 CNC(=O)OCCSCc1cncs1 62a_200011997002_100015185245 [0,0,0,0,0,1|2,1,0]=4 1847 B14R1.730 CNC(=O)OCCSCc1cscn1 62a_100000205941_200011997002 [0,0,0,0,0,1|3,0,0]=4 1848 B14R1.730 CNC(=O)OCCSCc1cscn1 62a_200011997002_100000205941 [0,0,0,0,0,1|3,0,0]=4 1849 B14R1.730 CNC(=O)OCCSCc1ncc[nH]1 62a_100016991755_200011997002 [0,0,0,0,0,1|3,0,0]=4 1850 B14R1.730 CNC(=O)OCCSCc1ncc[nH]1 62a_200011997002_100016991755 [0,0,0,0,0,1|3,0,0]=4 1851 B14R1.730 CNC(=O)OCCSCc1ncco1 62a_103436540062_200011997002 [0,0,0,0,0,1|2,0,0]=3 1852 B14R1.730 CNC(=O)OCCSCc1ncco1 62a_200011997002_103436540062 [0,0,0,0,0,1|2,0,0]=3 1853 B14R1.730 CNC(=O)OCCSCc1nccs1 62a_100015184050_200011997002 [0,0,0,0,0,1|2,1,0]=4 1854 B14R1.730 CNC(=O)OCCSCc1nccs1 62a_200011997002_100015184050 [0,0,0,0,0,1|2,1,0]=4 1855 B14R1.730 COC(=O)/C=C/CNCc1ccco1 2230a_100000185738_100000742655 [0,0,0,0,0,1|1,0,1]=3 1856 B14R1.730 COC(=O)/C=C/CNCc1ccco1 34a_100000185738_100000742655 [0,0,0,0,0,1|1,0,1]=3 1857 B14R1.730 COC(=O)/C=C/CNCc1cccs1 2230a_100000211653_100000742655 [0,0,0,0,0,1|1,1,1]=4 1858 B14R1.730 COC(=O)/C=C/CNCc1ncco1 2230a_100016994969_100000742655 [0,0,0,0,0,1|2,0,1]=4 1859 B14R1.730 COC(=O)/C=C/COCc1ccco1 34a_100000210059_100000742655 [0,0,0,0,0,1|0,1,1]=3 1860 B14R1.730 COC(=O)/C=C/COCc1cccs1 34a_100000211240_100000742655 [0,0,0,0,0,1|0,2,1]=4 1861 B14R1.730 COC(=O)/C=C/COCc1ccno1 34a_100000740478_100000742655 [0,0,0,0,0,1|1,1,1]=4 1862 B14R1.730 COC(=O)/C=C/COCc1ncco1 34a_100000062594_100000742655 [0,0,0,0,0,1|1,1,1]=4 1863 B14R1.730 COC(=O)/C=C/CSCc1c[nH]cn1 62a_100000707719_100000742655 [0,0,0,0,0,1|2,0,1]=4 1864 B14R1.730 COC(=O)/C=C/CSCc1c[nH]cn1 62a_100000742655_100000707719 [0,0,0,0,0,1|2,0,1]=4 1865 B14R1.730 COC(=O)/C=C/CSCc1ccn[nH]1 62a_100000728653_100000742655 [0,0,0,0,0,1|2,0,1]=4 1866 B14R1.730 COC(=O)/C=C/CSCc1ccn[nH]1 62a_100000742655_100000728653 [0,0,0,0,0,1|2,0,1]=4 1867 B14R1.730 COC(=O)/C=C/CSCc1ccon1 62a_100000234950_100000742655 [0,0,0,0,0,1|2,0,1]=4 1868 B14R1.730 COC(=O)/C=C/CSCc1ccon1 62a_100000742655_100000234950 [0,0,0,0,0,1|2,0,1]=4 1869 B14R1.730 COC(=O)/C=C/CSCc1ccsc1 62a_100000742655_100011233845 [0,0,0,0,0,1|2,0,1]=4 1870 B14R1.730 COC(=O)/C=C/CSCc1ccsc1 62a_100011261437_100000742655 [0,0,0,0,0,1|2,0,1]=4 1871 B14R1.730 COC(=O)/C=C/CSCc1cncs1 62a_100000742655_100015185245 [0,0,0,0,0,1|1,1,1]=4 1872 B14R1.730 COC(=O)/C=C/CSCc1cncs1 62a_100015185245_100000742655 [0,0,0,0,0,1|1,1,1]=4 1873 B14R1.730 COC(=O)/C=C/CSCc1cscn1 62a_100000205941_100000742655 [0,0,0,0,0,1|2,0,1]=4 1874 B14R1.730 COC(=O)/C=C/CSCc1cscn1 62a_100000742655_100000205941 [0,0,0,0,0,1|2,0,1]=4 1875 B14R1.730 COC(=O)/C=C/CSCc1ncc[nH]1 62a_100000742655_100016991755 [0,0,0,0,0,1|2,0,1]=4 1876 B14R1.730 COC(=O)/C=C/CSCc1ncc[nH]1 62a_100016991755_100000742655 [0,0,0,0,0,1|2,0,1]=4 1877 B14R1.730 COC(=O)/C=C/CSCc1ncco1 62a_100000742655_103436540062 [0,0,0,0,0,1|1,0,1]=3 1878 B14R1.730 COC(=O)/C=C/CSCc1ncco1 62a_103436540062_100000742655 [0,0,0,0,0,1|1,0,1]=3 1879 B14R1.730 COC(=O)/C=C/CSCc1nccs1 62a_100000742655_100015184050 [0,0,0,0,0,1|1,1,1]=4 1880 B14R1.730 COC(=O)/C=C/CSCc1nccs1 62a_100015184050_100000742655 [0,0,0,0,0,1|1,1,1]=4 1881 B14R1.730 COC(=O)CCCCOc1ccsc1 34a_100000106738_100000204269 [0,0,0,0,0,1|3,0,0]=4 1882 B14R1.730 COC(=O)CCCCOc1ccsc1 7a_100000106738_100000204269 [0,0,0,0,0,1|3,0,0]=4 1883 B14R1.730 COC(=O)CCCCSc1c[nH]cn1 62a_100000204269_100000756875 [0,0,0,0,0,1|3,0,0]=4 1884 B14R1.730 COC(=O)CCCCSc1c[nH]cn1 62a_100000756875_100000204269 [0,0,0,0,0,1|3,0,0]=4 1885 B14R1.730 COC(=O)CCCCSc1cc[nH]n1 62a_100000062575_100000204269 [0,0,0,0,0,1|3,0,0]=4 1886 B14R1.730 COC(=O)CCCCSc1cc[nH]n1 62a_100000204269_100000062575 [0,0,0,0,0,1|3,0,0]=4 1887 B14R1.730 COC(=O)CCCCSc1ccco1 62a_100000204269_100009814098 [0,0,0,0,0,1|1,0,0]=2 1888 B14R1.730 COC(=O)CCCCSc1ccco1 62a_100009814098_100000204269 [0,0,0,0,0,1|1,0,0]=2 1889 B14R1.730 COC(=O)CCCCSc1cccs1 62a_100000204269_100011215356 [0,0,0,0,0,1|1,1,0]=3 1890 B14R1.730 COC(=O)CCCCSc1cccs1 62a_100011215356_100000204269 [0,0,0,0,0,1|1,1,0]=3 1891 B14R1.730 COC(=O)CCCCSc1ccoc1 62a_100000204269_100011215275 [0,0,0,0,0,1|3,0,0]=4 1892 B14R1.730 COC(=O)CCCCSc1ccoc1 62a_100011215275_100000204269 [0,0,0,0,0,1|3,0,0]=4 1893 B14R1.730 COC(=O)CCCCSc1ccon1 62a_100000204269_100009818083 [0,0,0,0,0,1|3,0,0]=4 1894 B14R1.730 COC(=O)CCCCSc1ccon1 62a_100009818083_100000204269 [0,0,0,0,0,1|3,0,0]=4 1895 B14R1.730 COC(=O)CCCCSc1ccsc1 62a_100000204269_100000738268 [0,0,0,0,0,1|3,0,0]=4 1896 B14R1.730 COC(=O)CCCCSc1ccsc1 62a_100000738268_100000204269 [0,0,0,0,0,1|3,0,0]=4 1897 B14R1.730 COC(=O)CCCCSc1ccsn1 62a_100000204269_100009818082 [0,0,0,0,0,1|3,0,0]=4 1898 B14R1.730 COC(=O)CCCCSc1ccsn1 62a_100009818082_100000204269 [0,0,0,0,0,1|3,0,0]=4 1899 B14R1.730 COC(=O)CCCCSc1cnco1 62a_100000204269_100020591547 [0,0,0,0,0,1|2,0,0]=3 1900 B14R1.730 COC(=O)CCCCSc1cnco1 62a_100020591547_100000204269 [0,0,0,0,0,1|2,0,0]=3 1901 B14R1.730 COC(=O)CCCCSc1cncs1 62a_100000204269_100011934649 [0,0,0,0,0,1|2,1,0]=4 1902 B14R1.730 COC(=O)CCCCSc1cncs1 62a_100011934649_100000204269 [0,0,0,0,0,1|2,1,0]=4 1903 B14R1.730 COC(=O)CCCCSc1cscn1 62a_100000204269_100000751502 [0,0,0,0,0,1|3,0,0]=4 1904 B14R1.730 COC(=O)CCCCSc1cscn1 62a_100000751502_100000204269 [0,0,0,0,0,1|3,0,0]=4 1905 B14R1.730 COC(=O)CCCCSc1ncc[nH]1 62a_100000204269_100025796157 [0,0,0,0,0,1|3,0,0]=4 1906 B14R1.730 COC(=O)CCCCSc1ncc[nH]1 62a_100025796157_100000204269 [0,0,0,0,0,1|3,0,0]=4 1907 B14R1.730 COC(=O)CCCCSc1ncco1 62a_100000204269_100011787736 [0,0,0,0,0,1|2,0,0]=3 1908 B14R1.730 COC(=O)CCCCSc1ncco1 62a_100011787736_100000204269 [0,0,0,0,0,1|2,0,0]=3 1909 B14R1.730 COC(=O)CCCCSc1nccs1 62a_100000204269_100000211983 [0,0,0,0,0,1|2,1,0]=4 1910 B14R1.730 COC(=O)CCCCSc1nccs1 62a_100000211983_100000204269 [0,0,0,0,0,1|2,1,0]=4 1911 B14R1.730 COC(=O)CCCNCc1ccco1 2230a_100000185738_100011218270 [0,0,0,0,0,1|1,0,0]=2 1912 B14R1.730 COC(=O)CCCNCc1ccco1 34a_100000185738_100000742333 [0,0,0,0,0,1|1,0,0]=2 1913 B14R1.730 COC(=O)CCCNCc1cccs1 2230a_100000211653_100011218270 [0,0,0,0,0,1|1,1,0]=3 1914 B14R1.730 COC(=O)CCCNCc1ccoc1 2230a_100015206860_100011218270 [0,0,0,0,0,1|3,0,0]=4 1915 B14R1.730 COC(=O)CCCNCc1ccoc1 34a_100015206860_100000742333 [0,0,0,0,0,1|3,0,0]=4 1916 B14R1.730 COC(=O)CCCNCc1ccsc1 2230a_100000186416_100011218270 [0,0,0,0,0,1|3,0,0]=4 1917 B14R1.730 COC(=O)CCCNCc1ccsc1 34a_100000186416_100000742333 [0,0,0,0,0,1|3,0,0]=4 1918 B14R1.730 COC(=O)CCCNCc1cncs1 2230a_100016987365_100011218270 [0,0,0,0,0,1|2,1,0]=4 1919 B14R1.730 COC(=O)CCCNCc1cscn1 2230a_100015185402_100011218270 [0,0,0,0,0,1|3,0,0]=4 1920 B14R1.730 COC(=O)CCCNCc1ncco1 2230a_100016994969_100011218270 [0,0,0,0,0,1|2,0,0]=3 1921 B14R1.730 COC(=O)CCCNCc1nccs1 2230a_100000740555_100011218270 [0,0,0,0,0,1|2,1,0]=4 1922 B14R1.730 COC(=O)CCCOCc1ccco1 34a_100000210059_100000742333 [0,0,0,0,0,1|0,1,0]=2 1923 B14R1.730 COC(=O)CCCOCc1cccs1 34a_100000211240_100000742333 [0,0,0,0,0,1|0,2,0]=3 1924 B14R1.730 COC(=O)CCCOCc1ccno1 34a_100000740478_100000742333 [0,0,0,0,0,1|1,1,0]=3 1925 B14R1.730 COC(=O)CCCOCc1ccoc1 34a_100011215357_100000742333 [0,0,0,0,0,1|2,1,0]=4 1926 B14R1.730 COC(=O)CCCOCc1ccsc1 34a_100011215551_100000742333 [0,0,0,0,0,1|2,1,0]=4 1927 B14R1.730 COC(=O)CCCOCc1ncco1 34a_100000062594_100000742333 [0,0,0,0,0,1|1,1,0]=3 1928 B14R1.730 COC(=O)CCCOCn1cccn1 34a_100000731028_100000742333 [0,0,0,0,0,1|2,1,0]=4 1929 B14R1.730 COC(=O)CCCSCc1c[nH]cn1 62a_100000707719_100011218270 [0,0,0,0,0,1|2,0,0]=3 1930 B14R1.730 COC(=O)CCCSCc1c[nH]cn1 62a_100011218270_100000707719 [0,0,0,0,0,1|2,0,0]=3 1931 B14R1.730 COC(=O)CCCSCc1ccn[nH]1 62a_100000728653_100011218270 [0,0,0,0,0,1|2,0,0]=3 1932 B14R1.730 COC(=O)CCCSCc1ccn[nH]1 62a_100011218270_100000728653 [0,0,0,0,0,1|2,0,0]=3 1933 B14R1.730 COC(=O)CCCSCc1ccon1 62a_100000234950_100011218270 [0,0,0,0,0,1|2,0,0]=3 1934 B14R1.730 COC(=O)CCCSCc1ccon1 62a_100011218270_100000234950 [0,0,0,0,0,1|2,0,0]=3 1935 B14R1.730 COC(=O)CCCSCc1ccsc1 62a_100011218270_100011233845 [0,0,0,0,0,1|2,0,0]=3 1936 B14R1.730 COC(=O)CCCSCc1ccsc1 62a_100011261437_100011218270 [0,0,0,0,0,1|2,0,0]=3 1937 B14R1.730 COC(=O)CCCSCc1cncs1 62a_100011218270_100015185245 [0,0,0,0,0,1|1,1,0]=3 1938 B14R1.730 COC(=O)CCCSCc1cncs1 62a_100015185245_100011218270 [0,0,0,0,0,1|1,1,0]=3 1939 B14R1.730 COC(=O)CCCSCc1cscn1 62a_100000205941_100011218270 [0,0,0,0,0,1|2,0,0]=3 1940 B14R1.730 COC(=O)CCCSCc1cscn1 62a_100011218270_100000205941 [0,0,0,0,0,1|2,0,0]=3 1941 B14R1.730 COC(=O)CCCSCc1ncc[nH]1 62a_100011218270_100016991755 [0,0,0,0,0,1|2,0,0]=3 1942 B14R1.730 COC(=O)CCCSCc1ncc[nH]1 62a_100016991755_100011218270 [0,0,0,0,0,1|2,0,0]=3 1943 B14R1.730 COC(=O)CCCSCc1ncco1 62a_100011218270_103436540062 [0,0,0,0,0,1|1,0,0]=2 1944 B14R1.730 COC(=O)CCCSCc1ncco1 62a_103436540062_100011218270 [0,0,0,0,0,1|1,0,0]=2 1945 B14R1.730 COC(=O)CCCSCc1nccs1 62a_100011218270_100015184050 [0,0,0,0,0,1|1,1,0]=3 1946 B14R1.730 COC(=O)CCCSCc1nccs1 62a_100015184050_100011218270 [0,0,0,0,0,1|1,1,0]=3 1947 B14R1.730 COC(=O)CCCSCc1ncon1 62a_100000233494_100011218270 [0,0,0,0,0,1|3,0,0]=4 1948 B14R1.730 COC(=O)CCCSCc1ncon1 62a_100011218270_100000233494 [0,0,0,0,0,1|3,0,0]=4 1949 B14R1.730 COC(=O)CCCSCn1cncn1 62a_100011218270_200020645497 [0,0,0,0,0,1|3,0,0]=4 1950 B14R1.730 COC(=O)CCCSCn1cncn1 62a_200020645497_100011218270 [0,0,0,0,0,1|3,0,0]=4 1951 B14R1.730 COC(=O)CCNCCc1ccco1 2230a_100000694680_100000204255 [0,0,0,0,0,1|1,0,0]=2 1952 B14R1.730 COC(=O)CCNCCc1ccco1 34a_100000694680_100000742370 [0,0,0,0,0,1|1,0,0]=2 1953 B14R1.730 COC(=O)CCNCCc1cccs1 2230a_100000203755_100000204255 [0,0,0,0,0,1|1,1,0]=3 1954 B14R1.730 COC(=O)CCNCCc1cccs1 34a_100000203755_100000742370 [0,0,0,0,0,1|1,1,0]=3 1955 B14R1.730 COC(=O)CCNCCc1ccsc1 2230a_100000692642_100000204255 [0,0,0,0,0,1|3,0,0]=4 1956 B14R1.730 COC(=O)CCNCCc1ccsc1 34a_100000692642_100000742370 [0,0,0,0,0,1|3,0,0]=4 1957 B14R1.730 COC(=O)CCNCCc1cncs1 2230a_100016991637_100000204255 [0,0,0,0,0,1|2,1,0]=4 1958 B14R1.730 COC(=O)CCNCCc1nccs1 2230a_100015186391_100000204255 [0,0,0,0,0,1|2,1,0]=4 1959 B14R1.730 COC(=O)CCNCCn1cccc1 34a_100011368172_100000742370 [0,0,0,0,0,1|3,0,0]=4 1960 B14R1.730 COC(=O)CCNCCn1cccn1 2230a_100011200920_100000204255 [0,0,0,0,0,1|3,0,0]=4 1961 B14R1.730 COC(=O)CCOCCc1cccs1 34a_100011216825_100000742370 [0,0,0,0,0,1|0,2,0]=3 1962 B14R1.730 COC(=O)CCOCCc1cccs1 7a_100011216825_100000204255 [0,0,0,0,0,1|0,2,0]=3 1963 B14R1.730 COC(=O)CCOCCc1ccsc1 34a_100000748821_100000742370 [0,0,0,0,0,1|2,1,0]=4 1964 B14R1.730 COC(=O)CCOCCc1ncc[nH]1 34a_103549771195_100000742370 [0,0,0,0,0,1|2,1,0]=4 1965 B14R1.730 COC(=O)CCOCCn1cccc1 34a_100000179382_100000742370 [0,0,0,0,0,1|2,1,0]=4 1966 B14R1.730 COC(=O)CCOCCn1cccn1 34a_100000743371_100000742370 [0,0,0,0,0,1|2,1,0]=4 1967 B14R1.730 COC(=O)CCSCCc1c[nH]cn1 62a_100000204255_100020628418 [0,0,0,0,0,1|2,0,0]=3 1968 B14R1.730 COC(=O)CCSCCc1c[nH]cn1 62a_100020628418_100000204255 [0,0,0,0,0,1|2,0,0]=3 1969 B14R1.730 COC(=O)CCSCCc1cccs1 62a_100000204255_100000748579 [0,0,0,0,0,1|0,1,0]=2 1970 B14R1.730 COC(=O)CCSCCc1cccs1 62a_100000748579_100000204255 [0,0,0,0,0,1|0,1,0]=2 1971 B14R1.730 COC(=O)CCSCCc1cn[nH]c1 62a_100000204255_100000743252 [0,0,0,0,0,1|3,0,0]=4 1972 B14R1.730 COC(=O)CCSCCc1cn[nH]c1 62a_100000743252_100000204255 [0,0,0,0,0,1|3,0,0]=4 1973 B14R1.730 COC(=O)CCSCCn1cccc1 62a_100000204255_200000035178 [0,0,0,0,0,1|2,0,0]=3 1974 B14R1.730 COC(=O)CCSCCn1cccc1 62a_200009811947_100000204255 [0,0,0,0,0,1|2,0,0]=3 1975 B14R1.730 COC(=O)CCSCCn1cccn1 62a_100000204255_100000685285 [0,0,0,0,0,1|2,0,0]=3 1976 B14R1.730 COC(=O)CCSCCn1cccn1 62a_100015204718_100000204255 [0,0,0,0,0,1|2,0,0]=3 1977 B14R1.730 COC(=O)CCSCCn1ccnc1 62a_100000204255_100000702546 [0,0,0,0,0,1|3,0,0]=4 1978 B14R1.730 COC(=O)CCSCCn1ccnc1 62a_100000702546_100000204255 [0,0,0,0,0,1|3,0,0]=4 1979 B14R1.730 COC(=O)CCSCCn1cncn1 62a_100000204255_100000731791 [0,0,0,0,0,1|3,0,0]=4 1980 B14R1.730 COC(=O)CCSCCn1cncn1 62a_100000731791_100000204255 [0,0,0,0,0,1|3,0,0]=4 1981 B14R1.730 COC(=O)COCCCc1cccs1 34a_100011713143_100000747449 [0,0,0,0,0,1|1,1,0]=3 1982 B14R1.730 COC(=O)COCCCc1cccs1 7a_100011713143_100000747449 [0,0,0,0,0,1|1,1,0]=3 1983 B14R1.730 COC(=O)COCCCc1ccsc1 34a_200000699776_100000747449 [0,0,0,0,0,1|3,0,0]=4 1984 B14R1.730 COC(=O)COCCCc1ccsc1 7a_200000699776_100000747449 [0,0,0,0,0,1|3,0,0]=4 1985 B14R1.730 COC(=O)COCCCn1cccc1 34a_100000179399_100000747449 [0,0,0,0,0,1|3,0,0]=4 1986 B14R1.730 COC(=O)COCCCn1cccc1 7a_100000179399_100000747449 [0,0,0,0,0,1|3,0,0]=4 1987 B14R1.730 COC(=O)COCCCn1cccn1 34a_100000753614_100000747449 [0,0,0,0,0,1|3,0,0]=4 1988 B14R1.730 COC(=O)COCCSc1ccco1 62a_100000090808_100009814098 [0,0,0,0,0,1|2,0,0]=3 1989 B14R1.730 COC(=O)COCCSc1ccco1 62a_100009814098_100000090808 [0,0,0,0,0,1|2,0,0]=3 1990 B14R1.730 COC(=O)COCCSc1cccs1 62a_100000090808_100011215356 [0,0,0,0,0,1|2,1,0]=4 1991 B14R1.730 COC(=O)COCCSc1cccs1 62a_100011215356_100000090808 [0,0,0,0,0,1|2,1,0]=4 1992 B14R1.730 COC(=O)COCCSc1cnco1 62a_100000090808_100020591547 [0,0,0,0,0,1|3,0,0]=4 1993 B14R1.730 COC(=O)COCCSc1cnco1 62a_100020591547_100000090808 [0,0,0,0,0,1|3,0,0]=4 1994 B14R1.730 COC(=O)COCCSc1ncco1 62a_100000090808_100011787736 [0,0,0,0,0,1|3,0,0]=4 1995 B14R1.730 COC(=O)COCCSc1ncco1 62a_100011787736_100000090808 [0,0,0,0,0,1|3,0,0]=4 1996 B14R1.730 COC(=O)CSCCCc1cccs1 62a_100000747449_100010992444 [0,0,0,0,0,1|1,1,0]=3 1997 B14R1.730 COC(=O)CSCCCc1cccs1 62a_100010992444_100000747449 [0,0,0,0,0,1|1,1,0]=3 1998 B14R1.730 COC(=O)CSCCCn1cccc1 62a_100000747449_200009814367 [0,0,0,0,0,1|3,0,0]=4 1999 B14R1.730 COC(=O)CSCCCn1cccc1 62a_200009814367_100000747449 [0,0,0,0,0,1|3,0,0]=4 2000 B14R1.730 COC(=O)CSCCCn1cccn1 62a_100000739983_100000747449 [0,0,0,0,0,1|3,0,0]=4 2001 B14R1.730 COC(=O)CSCCCn1cccn1 62a_100000747449_100000739983 [0,0,0,0,0,1|3,0,0]=4 2002 B14R1.730 COC(=O)NCCOCc1c[nH]cn1 34a_100000757965_100000707719 [0,0,0,0,0,1|2,1,0]=4 2003 B14R1.730 COC(=O)NCCOCc1ccn[nH]1 34a_100000757965_100000728653 [0,0,0,0,0,1|2,1,0]=4 2004 B14R1.730 COC(=O)NCCOCc1ccon1 34a_100000757965_100000234950 [0,0,0,0,0,1|2,1,0]=4 2005 B14R1.730 COC(=O)NCCOCc1ccsc1 34a_100000757965_100011261437 [0,0,0,0,0,1|2,1,0]=4 2006 B14R1.730 COC(=O)NCCOCc1cncs1 34a_100000757965_100015185245 [0,0,0,0,0,1|1,2,0]=4 2007 B14R1.730 COC(=O)NCCOCc1cscn1 34a_100000757965_100000205941 [0,0,0,0,0,1|2,1,0]=4 2008 B14R1.730 COC(=O)NCCOCc1ncc[nH]1 34a_100000757965_100016991755 [0,0,0,0,0,1|2,1,0]=4 2009 B14R1.730 COC(=O)NCCOCc1ncco1 34a_100000757965_103436540062 [0,0,0,0,0,1|1,1,0]=3 2010 B14R1.730 COC(=O)NCCOCc1nccs1 34a_100000757965_100015184050 [0,0,0,0,0,1|1,2,0]=4 2011 B14R1.730 COC(=O)OCCOCc1c[nH]cn1 34a_100010262106_100000707719 [0,0,0,0,0,1|2,1,0]=4 2012 B14R1.730 COC(=O)OCCOCc1ccn[nH]1 34a_100010262106_100000728653 [0,0,0,0,0,1|2,1,0]=4 2013 B14R1.730 COC(=O)OCCOCc1ccon1 34a_100010262106_100000234950 [0,0,0,0,0,1|2,1,0]=4 2014 B14R1.730 COC(=O)OCCOCc1ccsc1 34a_100010262106_100011261437 [0,0,0,0,0,1|2,1,0]=4 2015 B14R1.730 COC(=O)OCCOCc1cncs1 34a_100010262106_100015185245 [0,0,0,0,0,1|1,2,0]=4 2016 B14R1.730 COC(=O)OCCOCc1cscn1 34a_100010262106_100000205941 [0,0,0,0,0,1|2,1,0]=4 2017 B14R1.730 COC(=O)OCCOCc1ncc[nH]1 34a_100010262106_100016991755 [0,0,0,0,0,1|2,1,0]=4 2018 B14R1.730 COC(=O)OCCOCc1ncco1 34a_100010262106_103436540062 [0,0,0,0,0,1|1,1,0]=3 2019 B14R1.730 COC(=O)OCCOCc1nccs1 34a_100010262106_100015184050 [0,0,0,0,0,1|1,2,0]=4 2020 B14R1.730 COC(=O)OCSCCc1c[nH]cn1 62a_100020628418_100000139417 [0,0,0,0,0,1|3,0,0]=4 2021 B14R1.730 COC(=O)OCSCCc1cccs1 62a_100000748579_100000139417 [0,0,0,0,0,1|1,1,0]=3 2022 B14R1.730 COC(=O)OCSCCn1cccc1 62a_200009811947_100000139417 [0,0,0,0,0,1|3,0,0]=4 2023 B14R1.730 COC(=O)OCSCCn1cccn1 62a_100015204718_100000139417 [0,0,0,0,0,1|3,0,0]=4 2024 B14R1.730 O=C(CO)NCCSCc1ccco1 240690a_100000184675_100000210174 [0,0,0,0,0,1|2,0,0]=3 2025 B14R1.730 O=C(CO)NCCSCc1ccco1 527a_100000184675_100000210174 [0,0,0,0,0,1|2,0,0]=3 2026 B11R0.106 C=C(C#N)CSCCC(=O)OC 62a_100000204255_100000694840 [1,0,1,0,0,0|1,0,1]=4 2027 B11R0.106 C=CC(=O)CCCCC(=O)OC 1458a_100000185746_100000204269 [1,0,1,0,0,0|1,0,1]=4 2028 B11R0.106 C=CC(O)CSCCC(=O)NC 62a_100000730141_100000737683 [1,0,1,0,0,0|1,0,1]=4 2029 B11R0.106 C=CC(O)CSCCC(=O)NC 62a_100000737683_100000730141 [1,0,1,0,0,0|1,0,1]=4 2030 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000204255_100000730141 [1,0,1,0,0,0|0,0,1]=3 2031 B11R0.106 C=CC(O)CSCCC(=O)OC 62a_100000730141_100000204255 [1,0,1,0,0,0|0,0,1]=3 2032 B11R0.106 C=CC(O)CSCOC(=O)OC 62a_100000730141_100000139417 [1,0,1,0,0,0|1,0,1]=4 2033 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000204255_100000747449 [1,0,1,0,0,0|1,0,1]=4 2034 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000747449_100000204255 [1,0,1,0,0,0|1,0,1]=4 2035 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [1,0,1,0,0,0|1,1,0]=4 2036 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [1,0,1,0,0,0|0,0,2]=4 2037 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [1,0,1,0,0,0|0,0,2]=4 2038 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [1,0,1,0,0,0|0,0,2]=4 2039 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [1,0,1,0,0,0|0,0,2]=4 2040 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [1,0,1,0,0,0|0,0,2]=4 2041 B11R0.40 C=COCCOCCC(=O)OC 34a_100000033082_100000742370 [1,0,1,0,0,0|0,1,1]=4 2042 B11R0.40 C=COCCSCCC(=O)NC 62a_100000039644_100000737683 [1,0,1,0,0,0|1,0,1]=4 2043 B11R0.40 C=COCCSCCC(=O)NC 62a_100000737683_100000039644 [1,0,1,0,0,0|1,0,1]=4 2044 B11R0.40 C=COCCSCCC(=O)OC 62a_100000039644_100000204255 [1,0,1,0,0,0|0,0,1]=3 2045 B11R0.40 C=COCCSCCC(=O)OC 62a_100000204255_100000039644 [1,0,1,0,0,0|0,0,1]=3 2046 B11R0.40 C=COCCSCOC(=O)OC 62a_100000039644_100000139417 [1,0,1,0,0,0|1,0,1]=4 2047 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [1,0,1,0,0,0|0,0,2]=4 2048 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [1,0,1,0,0,0|0,0,2]=4 2049 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [1,0,1,0,0,0|1,0,1]=4 2050 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [1,0,1,0,0,0|1,0,1]=4 2051 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [1,0,1,0,0,0|1,1,0]=4 2052 B11R0.176 C=COC(=O)CSCCC(=C)C 62a_100000036128_100000730704 [1,0,1,0,0,0|2,0,0]=4 2053 B11R0.176 C=COC(=O)CSCCC(=C)C 62a_100000730704_100000036128 [1,0,1,0,0,0|2,0,0]=4 2054 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [1,0,1,0,0,0|1,0,0]=3 2055 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [1,0,1,0,0,0|1,0,0]=3 2056 B11R0.176 C=COC(=O)CSCCC(=O)N 62a_100000036128_100000744528 [1,0,1,0,0,0|2,0,0]=4 2057 B11R0.176 C=COC(=O)CSCCC(=O)N 62a_100000744528_100000036128 [1,0,1,0,0,0|2,0,0]=4 2058 B11R0.176 C=COC(=O)CSCOC(=O)C 62a_100000036128_100000076356 [1,0,1,0,0,0|2,0,0]=4 2059 B11R0.176 C=COC(=O)CSCOC(=O)C 62a_100000076356_100000036128 [1,0,1,0,0,0|2,0,0]=4 2060 B11R1.4 C/C=C/CNCc1ccco1 34a_100000185738_100102629194 [2,0,0,0,0,0|1,0,1]=4 2061 B11R1.4 C/C=C/COCc1ccco1 34a_100000210059_100102629194 [2,0,0,0,0,0|0,1,1]=4 2062 B11R1.4 C/C=C/CSCc1ncco1 62a_100102629194_103436540062 [2,0,0,0,0,0|1,0,1]=4 2063 B11R1.4 C/C=C/CSCc1ncco1 62a_103436540062_100102629194 [2,0,0,0,0,0|1,0,1]=4 2064 B11R1.4 C=CCCNCc1ccco1 207a_100015191253_100000186105 [2,0,0,0,0,0|1,0,1]=4 2065 B11R1.4 C=CCCNCc1ccco1 2230a_100000185738_100000754431 [2,0,0,0,0,0|1,0,1]=4 2066 B11R1.4 C=CCCNCc1ccco1 270004a_100015191253_100000186105 [2,0,0,0,0,0|1,0,1]=4 2067 B11R1.4 C=CCCNCc1ccco1 34a_100000185738_100000754431 [2,0,0,0,0,0|1,0,1]=4 2068 B11R1.4 C=CCCOCc1ccco1 34a_100000210059_100000754431 [2,0,0,0,0,0|0,1,1]=4 2069 B11R1.4 C=CCCSCc1ncco1 62a_100000754431_103436540062 [2,0,0,0,0,0|1,0,1]=4 2070 B11R1.4 C=CCCSCc1ncco1 62a_103436540062_100000754431 [2,0,0,0,0,0|1,0,1]=4 2071 B11R1.4 CC/C=C\CSc1ccco1 62a_100009814098_100103147603 [2,0,0,0,0,0|1,0,1]=4 2072 B11R1.4 CC/C=C\CSc1ccco1 62a_100103147603_100009814098 [2,0,0,0,0,0|1,0,1]=4 2073 B11R1.4 CC=CCNCc1ccco1 2230a_100000185738_100000070051 [2,0,0,0,0,0|1,0,1]=4 2074 B11R1.4 CC=CCNCc1ccco1 34a_100000185738_100000070051 [2,0,0,0,0,0|1,0,1]=4 2075 B11R1.4 CC=CCOCc1ccco1 34a_100000210059_100000070051 [2,0,0,0,0,0|0,1,1]=4 2076 B11R1.4 CC=CCSCc1ncco1 62a_100000070051_103436540062 [2,0,0,0,0,0|1,0,1]=4 2077 B11R1.4 CC=CCSCc1ncco1 62a_103436540062_100000070051 [2,0,0,0,0,0|1,0,1]=4 2078 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [2,0,0,0,0,0|1,0,1]=4 2079 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [2,0,0,0,0,0|1,0,1]=4 2080 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [2,0,0,0,0,0|1,0,1]=4 2081 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [2,0,0,0,0,0|1,0,1]=4 2082 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [2,0,0,0,0,0|1,0,1]=4 2083 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [2,0,0,0,0,0|1,0,1]=4 2084 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [2,0,0,0,0,0|0,1,1]=4 2085 B11R1.4 CCCCSCc1ncco1 62a_100000210211_103436540062 [2,0,0,0,0,0|1,0,1]=4 2086 B11R1.4 CCCCSCc1ncco1 62a_103436540062_100000210210 [2,0,0,0,0,0|1,0,1]=4 2087 B11R1.4 CCOCCSc1ccco1 62a_100000210147_100009814098 [2,0,0,0,0,0|2,0,0]=4 2088 B11R1.4 CCOCCSc1ccco1 62a_100009814098_100011215890 [2,0,0,0,0,0|2,0,0]=4 2089 B11R1.4 CCSCCSc1ccco1 62a_100000757381_100009814098 [2,0,0,0,0,0|2,0,0]=4 2090 B11R1.4 CCSCCSc1ccco1 62a_100009814098_100000757381 [2,0,0,0,0,0|2,0,0]=4 2091 B11R1.4 CNCCSCc1ccco1 2230a_100000184675_200000210301 [2,0,0,0,0,0|1,0,0]=3 2092 B11R1.4 CNCCSCc1ccco1 7a_100000184675_200000210301 [2,0,0,0,0,0|1,0,0]=3 2093 B11R1.4 COCCCSc1ccco1 62a_100000709357_100009814098 [2,0,0,0,0,0|0,0,1]=3 2094 B11R1.4 COCCCSc1ccco1 62a_100009814098_100000709357 [2,0,0,0,0,0|0,0,1]=3 2095 B11R1.4 COCCCSc1cccs1 62a_100000709357_100011215356 [2,0,0,0,0,0|0,1,1]=4 2096 B11R1.4 COCCCSc1cccs1 62a_100011215356_100000709357 [2,0,0,0,0,0|0,1,1]=4 2097 B11R1.4 COCCCSc1cnco1 62a_100000709357_100020591547 [2,0,0,0,0,0|1,0,1]=4 2098 B11R1.4 COCCCSc1cnco1 62a_100020591547_100000709357 [2,0,0,0,0,0|1,0,1]=4 2099 B11R1.4 COCCCSc1ncco1 62a_100000709357_100011787736 [2,0,0,0,0,0|1,0,1]=4 2100 B11R1.4 COCCCSc1ncco1 62a_100011787736_100000709357 [2,0,0,0,0,0|1,0,1]=4 2101 B11R1.4 COCCNCc1ccco1 207a_100000209980_100000186105 [2,0,0,0,0,0|1,0,0]=3 2102 B11R1.4 COCCNCc1ccco1 2230a_100000185738_100011201679 [2,0,0,0,0,0|1,0,0]=3 2103 B11R1.4 COCCNCc1ccco1 270004a_100000209980_100000186105 [2,0,0,0,0,0|1,0,0]=3 2104 B11R1.4 COCCNCc1ccco1 34a_100000185738_100011201679 [2,0,0,0,0,0|1,0,0]=3 2105 B11R1.4 COCCNCc1cccs1 207a_100000209980_100000209959 [2,0,0,0,0,0|1,1,0]=4 2106 B11R1.4 COCCNCc1cccs1 2230a_100000211653_100011201679 [2,0,0,0,0,0|1,1,0]=4 2107 B11R1.4 COCCNCc1cccs1 270004a_100000209980_100000209959 [2,0,0,0,0,0|1,1,0]=4 2108 B11R1.4 COCCNCc1cnco1 270004a_100000209980_100000064291 [2,0,0,0,0,0|2,0,0]=4 2109 B11R1.4 COCCNCc1ncco1 2230a_100000209980_103436540062 [2,0,0,0,0,0|2,0,0]=4 2110 B11R1.4 COCCNCc1ncco1 2230a_100016994969_100011201679 [2,0,0,0,0,0|2,0,0]=4 2111 B11R1.4 COCCNCc1ncco1 270004a_100000209980_100000064290 [2,0,0,0,0,0|2,0,0]=4 2112 B11R1.4 COCCOCc1ccco1 34a_100000210059_100011201679 [2,0,0,0,0,0|0,1,0]=3 2113 B11R1.4 COCCOCc1cccs1 34a_100000211240_100011201679 [2,0,0,0,0,0|0,2,0]=4 2114 B11R1.4 COCCOCc1ccno1 34a_100000740478_100011201679 [2,0,0,0,0,0|1,1,0]=4 2115 B11R1.4 COCCOCc1ncco1 34a_100000062594_100011201679 [2,0,0,0,0,0|1,1,0]=4 2116 B11R1.4 COCCOCc1ncco1 34a_100000210237_103436540062 [2,0,0,0,0,0|1,1,0]=4 2117 B11R1.4 COCCSCc1c[nH]cn1 62a_100000233755_100000707719 [2,0,0,0,0,0|2,0,0]=4 2118 B11R1.4 COCCSCc1c[nH]cn1 62a_100000707719_100000233755 [2,0,0,0,0,0|2,0,0]=4 2119 B11R1.4 COCCSCc1ccn[nH]1 62a_100000233755_100000728653 [2,0,0,0,0,0|2,0,0]=4 2120 B11R1.4 COCCSCc1ccn[nH]1 62a_100000728653_100000233755 [2,0,0,0,0,0|2,0,0]=4 2121 B11R1.4 COCCSCc1ccon1 62a_100000233755_100000234950 [2,0,0,0,0,0|2,0,0]=4 2122 B11R1.4 COCCSCc1ccon1 62a_100000234950_100000233755 [2,0,0,0,0,0|2,0,0]=4 2123 B11R1.4 COCCSCc1ccsc1 62a_100000233755_100011233845 [2,0,0,0,0,0|2,0,0]=4 2124 B11R1.4 COCCSCc1ccsc1 62a_100011261437_100000233755 [2,0,0,0,0,0|2,0,0]=4 2125 B11R1.4 COCCSCc1cncs1 62a_100000233755_100015185245 [2,0,0,0,0,0|1,1,0]=4 2126 B11R1.4 COCCSCc1cncs1 62a_100015185245_100000233755 [2,0,0,0,0,0|1,1,0]=4 2127 B11R1.4 COCCSCc1cscn1 62a_100000205941_100000233755 [2,0,0,0,0,0|2,0,0]=4 2128 B11R1.4 COCCSCc1cscn1 62a_100000233755_100000205941 [2,0,0,0,0,0|2,0,0]=4 2129 B11R1.4 COCCSCc1ncc[nH]1 62a_100000233755_100016991755 [2,0,0,0,0,0|2,0,0]=4 2130 B11R1.4 COCCSCc1ncc[nH]1 62a_100016991755_100000233755 [2,0,0,0,0,0|2,0,0]=4 2131 B11R1.4 COCCSCc1ncco1 62a_100000233755_103436540062 [2,0,0,0,0,0|1,0,0]=3 2132 B11R1.4 COCCSCc1ncco1 62a_103436540062_100000233755 [2,0,0,0,0,0|1,0,0]=3 2133 B11R1.4 COCCSCc1nccs1 62a_100000233755_100015184050 [2,0,0,0,0,0|1,1,0]=4 2134 B11R1.4 COCCSCc1nccs1 62a_100015184050_100000233755 [2,0,0,0,0,0|1,1,0]=4 2135 B11R1.4 COCNCCc1ccco1 2230a_100000694680_100000766300 [2,0,0,0,0,0|1,0,1]=4 2136 B11R1.4 CSCCNCc1ccco1 207a_100020590264_100000186105 [2,0,0,0,0,0|1,1,0]=4 2137 B11R1.4 CSCCNCc1ccco1 2230a_100000185738_100000751147 [2,0,0,0,0,0|1,1,0]=4 2138 B11R1.4 CSCCNCc1ccco1 270004a_100020590264_100000186105 [2,0,0,0,0,0|1,1,0]=4 2139 B11R1.4 CSCCNCc1ccco1 34a_100000185738_100000212216 [2,0,0,0,0,0|1,1,0]=4 2140 B11R1.4 CSCCOCc1ccco1 34a_100000210059_100000212216 [2,0,0,0,0,0|0,2,0]=4 2141 B11R1.4 CSCCSCc1ncco1 62a_100000212216_103436540062 [2,0,0,0,0,0|1,1,0]=4 2142 B11R1.4 CSCCSCc1ncco1 62a_103436540062_100000751147 [2,0,0,0,0,0|1,1,0]=4 2143 B11R1.4 O=CCCCSc1ccco1 62a_100009814098_200011292268 [2,0,0,0,0,0|2,0,0]=4 2144 B11R1.4 O=CCCCSc1ccco1 62a_200011292268_100009814098 [2,0,0,0,0,0|2,0,0]=4 2145 B11R1.4 O=CCNCCc1ccco1 2230a_100000694680_200015260668 [2,0,0,0,0,0|2,0,0]=4 2146 B11R1.4 O=CCNCCc1ccco1 34a_100000694680_200009817547 [2,0,0,0,0,0|2,0,0]=4 2147 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [2,0,0,0,0,0|1,0,1]=4 2148 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [2,0,0,0,0,0|1,0,1]=4 2149 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [2,0,0,0,0,0|1,0,1]=4 2150 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [2,0,0,0,0,0|1,0,1]=4 2151 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [2,0,0,0,0,0|0,1,1]=4 2152 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [2,0,0,0,0,0|1,0,1]=4 2153 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [2,0,0,0,0,0|1,0,1]=4 2154 B11R1.4 [13CH3]NCCSCc1ccco1 2230a_100000184675_200025704644 [2,0,0,0,0,0|1,0,0]=3 2155 B11R1.4 [13CH3]NCCSCc1ccco1 7a_100000184675_200025704644 [2,0,0,0,0,0|1,0,0]=3 2156 B13R0.2 C/C=C/C=C/COCCC(=O)OCC 34a_100016283227_100000765890 [0,1,1,0,0,0|1,1,0]=4 2157 B13R0.113 C=CC=CC(=O)CCCCC(=O)OC 1458a_100016291481_100000204269 [0,1,1,0,0,0|2,0,0]=4 2158 B13R0.113 C=CCNC(=O)CSCCC(=O)OC 62a_100000183597_100000204255 [0,1,1,0,0,0|1,0,1]=4 2159 B13R0.113 C=CCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183597 [0,1,1,0,0,0|1,0,1]=4 2160 B13R0.113 C=CCOC(=O)CSCCC(=O)NC 62a_100000033060_100000737683 [0,1,1,0,0,0|1,0,1]=4 2161 B13R0.113 C=CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000033060 [0,1,1,0,0,0|1,0,1]=4 2162 B13R0.113 C=CCOC(=O)CSCCC(=O)OC 62a_100000033060_100000204255 [0,1,1,0,0,0|0,0,1]=3 2163 B13R0.113 C=CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000033060 [0,1,1,0,0,0|0,0,1]=3 2164 B13R0.113 C=CCOC(=O)CSCOC(=O)OC 62a_100000033060_100000139417 [0,1,1,0,0,0|1,0,1]=4 2165 B13R0.147 C/C=C/C=C/COCCCC(=O)OC 34a_100016283227_100000742333 [0,1,1,0,0,0|1,1,0]=4 2166 B13R0.201 C=CC(=O)OCCSCCC(=O)NC 62a_100000737683_100009813456 [0,1,1,0,0,0|1,0,1]=4 2167 B13R0.201 C=CC(=O)OCCSCCC(=O)NC 62a_100009813456_100000737683 [0,1,1,0,0,0|1,0,1]=4 2168 B13R0.201 C=CC(=O)OCCSCCC(=O)OC 62a_100000204255_100009813456 [0,1,1,0,0,0|0,0,1]=3 2169 B13R0.201 C=CC(=O)OCCSCCC(=O)OC 62a_100009813456_100000204255 [0,1,1,0,0,0|0,0,1]=3 2170 B13R0.201 C=CC(=O)OCCSCOC(=O)OC 62a_100009813456_100000139417 [0,1,1,0,0,0|1,0,1]=4 2171 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000204255_100000742655 [0,1,1,0,0,0|2,0,0]=4 2172 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000742655_100000204255 [0,1,1,0,0,0|2,0,0]=4 2173 B13R0.274 C/C=C/C=C/COC(C)CC(=O)OC 34a_100016283227_100009817358 [0,1,1,0,0,0|1,1,0]=4 2174 B13R0.340 C/C=C/C=C/COCC(C)C(=O)OC 34a_100016283227_100000698445 [0,1,1,0,0,0|1,1,0]=4 2175 B13R0.17 C=COC(=O)CSC(C)CC(=O)OC 62a_100000036128_100009817358 [0,1,1,0,0,0|1,0,0]=3 2176 B13R0.17 C=COC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000036128 [0,1,1,0,0,0|1,0,0]=3 2177 B13R0.91 C=COC(=O)CSCCC(=O)N(C)C 62a_100000036128_100000737620 [0,1,1,0,0,0|2,0,0]=4 2178 B13R0.91 C=COC(=O)CSCCC(=O)N(C)C 62a_100000737620_100000036128 [0,1,1,0,0,0|2,0,0]=4 2179 B13R0.367 C=COC(=O)CSCCC(=O)NCC 62a_100000036128_100000737597 [0,1,1,0,0,0|2,0,0]=4 2180 B13R0.367 C=COC(=O)CSCCC(=O)NCC 62a_100000737597_100000036128 [0,1,1,0,0,0|2,0,0]=4 2181 B13R0.367 C=COC(=O)CSCCC(=O)OCC 62a_100000036128_100000765890 [0,1,1,0,0,0|1,0,0]=3 2182 B13R0.367 C=COC(=O)CSCCC(=O)OCC 62a_100000765890_100000036128 [0,1,1,0,0,0|1,0,0]=3 2183 B13R0.367 C=COC(=O)CSCOC(=O)OCC 62a_100000036128_100000075025 [0,1,1,0,0,0|2,0,0]=4 2184 B13R0.369 C=COC(=O)COCC(C)C(=O)OC 34a_100000749362_100000036128 [0,1,1,0,0,0|1,1,0]=4 2185 B13R0.369 C=COC(=O)COCC(F)C(=O)OC 34a_200009849844_100000036128 [0,1,1,0,0,0|1,1,0]=4 2186 B13R0.369 C=COC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000036128 [0,1,1,0,0,0|1,1,0]=4 2187 B13R0.369 C=COC(=O)CSCC(=C)C(=O)OC 62a_100000036128_100009813391 [0,1,1,0,0,0|1,0,1]=4 2188 B13R0.369 C=COC(=O)CSCC(=C)C(=O)OC 62a_100009813391_100000036128 [0,1,1,0,0,0|1,0,1]=4 2189 B13R0.369 C=COC(=O)CSCC(=O)C(=O)OC 62a_100000036128_100011610305 [0,1,1,0,0,0|1,0,1]=4 2190 B13R0.369 C=COC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000036128 [0,1,1,0,0,0|1,0,1]=4 2191 B13R0.369 C=COC(=O)CSCC(C)C(=O)OC 62a_100000036128_100000698445 [0,1,1,0,0,0|1,0,0]=3 2192 B13R0.369 C=COC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000036128 [0,1,1,0,0,0|1,0,0]=3 2193 B13R0.1521 C=COC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000036128 [0,1,1,0,0,0|2,0,0]=4 2194 B13R0.1521 C=COC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000036128 [0,1,1,0,0,0|2,0,0]=4 2195 B13R1.27 COCCCNCc1cc(co1)Br 270004a_100150723488_100000747035 [1,1,0,0,0,0|1,0,1]=4 2196 B13R1.27 COCCCNCc1ccc(o1)Br 207a_100150723488_100000185145 [1,1,0,0,0,0|1,0,1]=4 2197 B13R1.27 COCCCNCc1ccc(o1)Br 270004a_100150723488_100000185145 [1,1,0,0,0,0|1,0,1]=4 2198 B13R1.27 COCCCNCc1ccc(o1)Br 34a_100000708654_100000740836 [1,1,0,0,0,0|1,0,1]=4 2199 B13R1.27 COCCCNCc1ccc(o1)C 207a_100150723488_100000183696 [1,1,0,0,0,0|1,0,1]=4 2200 B13R1.27 COCCCNCc1ccc(o1)C 270004a_100150723488_100000183696 [1,1,0,0,0,0|1,0,1]=4 2201 B13R1.27 COCCCNCc1ccc(o1)C 34a_100011194323_100000740836 [1,1,0,0,0,0|1,0,1]=4 2202 B13R1.27 COCCCNCc1ccc(o1)Cl 207a_100150723488_100000188459 [1,1,0,0,0,0|1,0,1]=4 2203 B13R1.27 COCCCNCc1ccc(o1)Cl 270004a_100150723488_100000188459 [1,1,0,0,0,0|1,0,1]=4 2204 B13R1.27 COCCCNCc1ccc(o1)I 207a_100150723488_100000186757 [1,1,0,0,0,0|1,0,1]=4 2205 B13R1.27 COCCCOCc1ccc(o1)Br 34a_100000246276_100000740836 [1,1,0,0,0,0|0,1,1]=4 2206 B13R1.27 COCCCOCc1ccc(o1)Br 7a_100000246276_100000740836 [1,1,0,0,0,0|0,1,1]=4 2207 B13R1.27 COCCCOCc1ccc(o1)C 34a_100011232665_100000740836 [1,1,0,0,0,0|0,1,1]=4 2208 B13R1.27 COCCCOCc1ccc(o1)C 7a_100011232665_100000740836 [1,1,0,0,0,0|0,1,1]=4 2209 B13R1.27 COCCCSCc1cc(cs1)Br 62a_100000709357_100000746031 [1,1,0,0,0,0|0,1,1]=4 2210 B13R1.27 COCCCSCc1cc(cs1)Br 62a_100000746031_100000709357 [1,1,0,0,0,0|0,1,1]=4 2211 B13R1.27 COCCCSCc1cc(no1)Br 62a_100000709089_100000709357 [1,1,0,0,0,0|1,0,1]=4 2212 B13R1.27 COCCCSCc1cc(no1)Br 62a_100000709357_100000709089 [1,1,0,0,0,0|1,0,1]=4 2213 B13R1.27 COCCCSCc1cc(no1)C 62a_100000707947_100000709357 [1,1,0,0,0,0|1,0,1]=4 2214 B13R1.27 COCCCSCc1cc(no1)C 62a_100000709357_100000707947 [1,1,0,0,0,0|1,0,1]=4 2215 B13R1.27 COCCCSCc1ccc(s1)Br 62a_100000708592_100000709357 [1,1,0,0,0,0|0,1,1]=4 2216 B13R1.27 COCCCSCc1ccc(s1)Br 62a_100000709357_100000708592 [1,1,0,0,0,0|0,1,1]=4 2217 B13R1.27 COCCCSCc1ccc(s1)Cl 62a_100000185097_100000709357 [1,1,0,0,0,0|0,1,1]=4 2218 B13R1.27 COCCCSCc1ccc(s1)Cl 62a_100000709357_100000185097 [1,1,0,0,0,0|0,1,1]=4 2219 B13R1.48 COCCCN[C@H](C)c1ccco1 2230a_100160469435_100000740836 [1,1,0,0,0,0|1,0,1]=4 2220 B13R1.48 COCCCO[C@@H](C)c1ccco1 34a_100000755270_100000740836 [1,1,0,0,0,0|0,1,1]=4 2221 B13R1.48 COCCCO[C@@H](C)c1ccco1 7a_100000755270_100000740836 [1,1,0,0,0,0|0,1,1]=4 2222 B13R1.119 CC/C=C\CCNCc1ccco1 2230a_100000185738_100015370543 [1,1,0,0,0,0|2,0,0]=4 2223 B13R1.119 CC/C=C\CCNCc1ccco1 34a_100000185738_100015370543 [1,1,0,0,0,0|2,0,0]=4 2224 B13R1.119 CC/C=C\CCOCc1ccco1 34a_100000210059_100015370543 [1,1,0,0,0,0|1,1,0]=4 2225 B13R1.119 CC/C=C\CCSCc1ncco1 62a_100015370543_103436540062 [1,1,0,0,0,0|2,0,0]=4 2226 B13R1.119 CC/C=C\CCSCc1ncco1 62a_103436540062_100015370543 [1,1,0,0,0,0|2,0,0]=4 2227 B13R1.119 CCCNCCSCc1ccco1 2230a_100000184675_100000210303 [1,1,0,0,0,0|1,0,1]=4 2228 B13R1.119 CCCNCCSCc1ccco1 7a_100000184675_100000210303 [1,1,0,0,0,0|1,0,1]=4 2229 B13R1.119 CCOCCCNCc1ccco1 207a_100000210961_100000186105 [1,1,0,0,0,0|1,0,1]=4 2230 B13R1.119 CCOCCCNCc1ccco1 2230a_100000185738_100012232248 [1,1,0,0,0,0|1,0,1]=4 2231 B13R1.119 CCOCCCNCc1ccco1 270004a_100000210961_100000186105 [1,1,0,0,0,0|1,0,1]=4 2232 B13R1.119 CCOCCCNCc1ccco1 34a_100000185738_100012232248 [1,1,0,0,0,0|1,0,1]=4 2233 B13R1.119 CCOCCCOCc1ccco1 34a_100000210059_100012232248 [1,1,0,0,0,0|0,1,1]=4 2234 B13R1.119 CCOCCCSCc1ncco1 62a_100012232248_103436540062 [1,1,0,0,0,0|1,0,1]=4 2235 B13R1.119 CCOCCCSCc1ncco1 62a_103436540062_100012232248 [1,1,0,0,0,0|1,0,1]=4 2236 B13R1.119 COCCCCNCc1ccco1 2230a_100000185738_100000730899 [1,1,0,0,0,0|1,0,1]=4 2237 B13R1.119 COCCCCNCc1ccco1 34a_100000185738_100000755781 [1,1,0,0,0,0|1,0,1]=4 2238 B13R1.119 COCCCCOCc1ccco1 34a_100000210059_100000755781 [1,1,0,0,0,0|0,1,1]=4 2239 B13R1.119 COCCCCSCc1ncco1 62a_100000730899_103436540062 [1,1,0,0,0,0|1,0,1]=4 2240 B13R1.119 COCCCCSCc1ncco1 62a_103436540062_100000730899 [1,1,0,0,0,0|1,0,1]=4 2241 B13R1.119 COCCCNCCc1ccco1 2230a_100000694680_100000740836 [1,1,0,0,0,0|1,0,1]=4 2242 B13R1.119 COCCCNCCc1ccco1 34a_100000694680_100000740836 [1,1,0,0,0,0|1,0,1]=4 2243 B13R1.119 COCCCSCCc1cccs1 62a_100000709357_100000748579 [1,1,0,0,0,0|0,1,1]=4 2244 B13R1.119 COCCCSCCc1cccs1 62a_100000748579_100000709357 [1,1,0,0,0,0|0,1,1]=4 2245 B13R1.119 COCCOCNCc1ccco1 2230a_100000185738_100000231047 [1,1,0,0,0,0|1,0,1]=4 2246 B13R1.119 COCCOCSCc1ncco1 62a_100000231047_103436540062 [1,1,0,0,0,0|1,0,1]=4 2247 B13R1.119 COCCOCSCc1ncco1 62a_103436540062_100000231047 [1,1,0,0,0,0|1,0,1]=4 2248 B13R1.119 COCNCCSCc1ccco1 2230a_100000184675_100000766300 [1,1,0,0,0,0|0,0,1]=3 2249 B13R1.119 CSCNCCSCc1ccco1 2230a_100000184675_100011218213 [1,1,0,0,0,0|0,1,1]=4 2250 B13R1.119 FCCNCCSCc1ccco1 2230a_100000184675_100011217306 [1,1,0,0,0,0|2,0,0]=4 2251 B13R1.119 FCCNCCSCc1ccco1 7a_100000184675_100011217306 [1,1,0,0,0,0|2,0,0]=4 2252 B13R1.119 OCCNCCSCc1ccco1 2230a_100000184675_100000211926 [1,1,0,0,0,0|2,0,0]=4 2253 B13R1.119 OCCNCCSCc1ccco1 7a_100000184675_100000211926 [1,1,0,0,0,0|2,0,0]=4 2254 B13R1.153 COCCC(C)NCc1ccco1 270004a_100000185738_100000742357 [1,1,0,0,0,0|1,0,1]=4 2255 B13R1.156 COCCCC(=O)Cc1ccco1 1458a_100011217309_100000740836 [1,1,0,0,0,0|1,0,1]=4 2256 B13R1.156 COCCCN(C)Cc1ccco1 2230a_100000185268_100000740836 [1,1,0,0,0,0|1,0,1]=4 2257 B13R1.156 COCCCN(C)Cc1ccco1 269982a_100000185268_100000740836 [1,1,0,0,0,0|1,0,1]=4 2258 B13R1.156 COCCCN(C)Cc1ccco1 270004a_100000224831_100000186105 [1,1,0,0,0,0|1,0,1]=4 2259 B13R1.343 CC(=CCCNCc1ccco1)C 2230a_100000185738_100011217483 [1,1,0,0,0,0|2,0,0]=4 2260 B13R1.343 CC(=CCCNCc1ccco1)C 34a_100000185738_100011217483 [1,1,0,0,0,0|2,0,0]=4 2261 B13R1.343 CC(=CCCOCc1ccco1)C 34a_100000210059_100011217483 [1,1,0,0,0,0|1,1,0]=4 2262 B13R1.343 CC(=CCCSCc1ncco1)C 62a_100011217483_103436540062 [1,1,0,0,0,0|2,0,0]=4 2263 B13R1.343 CC(=CCCSCc1ncco1)C 62a_103436540062_100011217483 [1,1,0,0,0,0|2,0,0]=4 2264 B13R1.343 CC(=O)NCCSCc1ccco1 11a_100000184675_100015343762 [1,1,0,0,0,0|2,0,0]=4 2265 B13R1.343 CC(=O)NCCSCc1ccco1 240690a_100000184675_100015343762 [1,1,0,0,0,0|2,0,0]=4 2266 B13R1.343 CC(=O)NCCSCc1ccco1 527a_100000184675_100103153847 [1,1,0,0,0,0|2,0,0]=4 2267 B13R1.343 CC(C)NCCSCc1ccco1 2230a_100000184675_100000210206 [1,1,0,0,0,0|2,0,0]=4 2268 B13R1.343 CC(C)NCCSCc1ccco1 7a_100000184675_100000210206 [1,1,0,0,0,0|2,0,0]=4 2269 B13R1.404 CCNC(C)CSCc1ccco1 270004a_100015525214_200000149978 [1,1,0,0,0,0|2,0,0]=4 2270 B13R1.404 COCC(O)CNCc1ccco1 207a_100000756049_100000186105 [1,1,0,0,0,0|1,0,1]=4 2271 B13R1.404 COCC(O)CNCc1ccco1 270004a_100000756049_100000186105 [1,1,0,0,0,0|1,0,1]=4 2272 B13R1.404 COCC(O)CNCc1ccco1 34a_100000185738_100011215053 [1,1,0,0,0,0|1,0,1]=4 2273 B13R1.404 COCC(O)COCc1ccco1 34a_100000210059_100011215053 [1,1,0,0,0,0|0,1,1]=4 2274 B13R1.404 COCC(O)CSCc1ncco1 62a_100011215053_103436540062 [1,1,0,0,0,0|1,0,1]=4 2275 B13R1.404 COCC(O)CSCc1ncco1 62a_103436540062_100011215053 [1,1,0,0,0,0|1,0,1]=4 2276 B13R1.654 COCCCNCc1occc1Br 270004a_100150723488_100000756499 [1,1,0,0,0,0|1,0,1]=4 2277 B13R1.654 COCCCNCc1occc1C 207a_100150723488_100000763527 [1,1,0,0,0,0|1,0,1]=4 2278 B13R1.654 COCCCNCc1occc1C 270004a_100150723488_100000763527 [1,1,0,0,0,0|1,0,1]=4 2279 B13R1.654 COCCCOCc1occc1C 34a_100011273948_100000740836 [1,1,0,0,0,0|0,1,1]=4 2280 B13R1.654 COCCCOCc1occc1C 7a_100011273948_100000740836 [1,1,0,0,0,0|0,1,1]=4 2281 B13R1.128 C=C(C)CCNCc1ccc(o1)Br 34a_100000708654_100000730704 [1,1,0,0,0,0|2,0,0]=4 2282 B13R1.128 C=C(C)CCNCc1ccc(o1)C 34a_100011194323_100000730704 [1,1,0,0,0,0|2,0,0]=4 2283 B13R1.128 C=C(C)CCOCc1ccc(o1)Br 34a_100000246276_100000730704 [1,1,0,0,0,0|1,1,0]=4 2284 B13R1.128 C=C(C)CCOCc1ccc(o1)Br 7a_100000246276_100000730704 [1,1,0,0,0,0|1,1,0]=4 2285 B13R1.128 C=C(C)CCOCc1ccc(o1)C 34a_100011232665_100000730704 [1,1,0,0,0,0|1,1,0]=4 2286 B13R1.128 C=C(C)CCOCc1ccc(o1)C 7a_100011232665_100000730704 [1,1,0,0,0,0|1,1,0]=4 2287 B13R1.128 C=C(C)CCSCc1cc(cs1)Br 62a_100000730704_100000746031 [1,1,0,0,0,0|1,1,0]=4 2288 B13R1.128 C=C(C)CCSCc1cc(cs1)Br 62a_100000746031_100000730704 [1,1,0,0,0,0|1,1,0]=4 2289 B13R1.128 C=C(C)CCSCc1cc(no1)Br 62a_100000709089_100000730704 [1,1,0,0,0,0|2,0,0]=4 2290 B13R1.128 C=C(C)CCSCc1cc(no1)Br 62a_100000730704_100000709089 [1,1,0,0,0,0|2,0,0]=4 2291 B13R1.128 C=C(C)CCSCc1cc(no1)C 62a_100000707947_100000730704 [1,1,0,0,0,0|2,0,0]=4 2292 B13R1.128 C=C(C)CCSCc1cc(no1)C 62a_100000730704_100000707947 [1,1,0,0,0,0|2,0,0]=4 2293 B13R1.128 C=C(C)CCSCc1ccc(s1)Br 62a_100000708592_100000730704 [1,1,0,0,0,0|1,1,0]=4 2294 B13R1.128 C=C(C)CCSCc1ccc(s1)Br 62a_100000730704_100000708592 [1,1,0,0,0,0|1,1,0]=4 2295 B13R1.128 C=C(C)CCSCc1ccc(s1)Cl 62a_100000185097_100000730704 [1,1,0,0,0,0|1,1,0]=4 2296 B13R1.128 C=C(C)CCSCc1ccc(s1)Cl 62a_100000730704_100000185097 [1,1,0,0,0,0|1,1,0]=4 2297 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 34a_100000759926_100000746031 [1,1,0,0,0,0|0,2,0]=4 2298 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100000053229 [1,1,0,0,0,0|0,2,0]=4 2299 B13R1.128 CC(=O)CCOCc1cc(cs1)Br 7a_100000759926_100000746031 [1,1,0,0,0,0|0,2,0]=4 2300 B13R1.128 CC(=O)CCOCc1cc(cs1)C 7a_200000068372_100000053229 [1,1,0,0,0,0|0,2,0]=4 2301 B13R1.128 CC(=O)CCOCc1cc(no1)Br 7a_100000759926_100000709089 [1,1,0,0,0,0|1,1,0]=4 2302 B13R1.128 CC(=O)CCOCc1cc(no1)C 34a_100000759926_100000707947 [1,1,0,0,0,0|1,1,0]=4 2303 B13R1.128 CC(=O)CCOCc1cc(no1)C 7a_100000759926_100000707947 [1,1,0,0,0,0|1,1,0]=4 2304 B13R1.128 CC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000053229 [1,1,0,0,0,0|0,1,0]=3 2305 B13R1.128 CC(=O)CCOCc1ccc(o1)C 7a_100011232665_100000053229 [1,1,0,0,0,0|0,1,0]=3 2306 B13R1.128 CC(=O)CCOCc1ccc(s1)Br 34a_100000759926_100000708592 [1,1,0,0,0,0|0,2,0]=4 2307 B13R1.128 CC(=O)CCOCc1ccc(s1)Br 7a_100000759926_100000708592 [1,1,0,0,0,0|0,2,0]=4 2308 B13R1.128 CC(=O)CCOCc1ccc(s1)Cl 34a_100000759926_100000185097 [1,1,0,0,0,0|0,2,0]=4 2309 B13R1.128 CC(=O)CCOCc1ccc(s1)Cl 7a_100000759926_100000185097 [1,1,0,0,0,0|0,2,0]=4 2310 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000053229_100000716558 [1,1,0,0,0,0|2,0,0]=4 2311 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000053229 [1,1,0,0,0,0|2,0,0]=4 2312 B13R1.128 CC(=O)CCSCc1cc(cs1)Br 62a_100000053229_100000746031 [1,1,0,0,0,0|0,1,0]=3 2313 B13R1.128 CC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000053229 [1,1,0,0,0,0|0,1,0]=3 2314 B13R1.128 CC(=O)CCSCc1cc(no1)Br 62a_100000053229_100000709089 [1,1,0,0,0,0|1,0,0]=3 2315 B13R1.128 CC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000053229 [1,1,0,0,0,0|1,0,0]=3 2316 B13R1.128 CC(=O)CCSCc1cc(no1)C 62a_100000053229_100000707947 [1,1,0,0,0,0|1,0,0]=3 2317 B13R1.128 CC(=O)CCSCc1cc(no1)C 62a_100000707947_100000053229 [1,1,0,0,0,0|1,0,0]=3 2318 B13R1.128 CC(=O)CCSCc1cc(on1)C 62a_100000053229_100000199038 [1,1,0,0,0,0|2,0,0]=4 2319 B13R1.128 CC(=O)CCSCc1cc(on1)C 62a_100000199038_100000053229 [1,1,0,0,0,0|2,0,0]=4 2320 B13R1.128 CC(=O)CCSCc1ccc(s1)Br 62a_100000053229_100000708592 [1,1,0,0,0,0|0,1,0]=3 2321 B13R1.128 CC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000053229 [1,1,0,0,0,0|0,1,0]=3 2322 B13R1.128 CC(=O)CCSCc1ccc(s1)Cl 62a_100000053229_100000185097 [1,1,0,0,0,0|0,1,0]=3 2323 B13R1.128 CC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000053229 [1,1,0,0,0,0|0,1,0]=3 2324 B13R1.128 CC(=O)CCSCc1ccn(n1)C 62a_100000053229_100000726502 [1,1,0,0,0,0|2,0,0]=4 2325 B13R1.128 CC(=O)CCSCc1ccn(n1)C 62a_100000726502_100000053229 [1,1,0,0,0,0|2,0,0]=4 2326 B13R1.128 CC(=O)CCSCc1cn(cn1)C 62a_100000053229_100000717665 [1,1,0,0,0,0|2,0,0]=4 2327 B13R1.128 CC(=O)CCSCc1cn(cn1)C 62a_100000717665_100000053229 [1,1,0,0,0,0|2,0,0]=4 2328 B13R1.128 CC(=O)CCSCc1cnc(s1)Br 62a_100000053229_100000717027 [1,1,0,0,0,0|1,1,0]=4 2329 B13R1.128 CC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000053229 [1,1,0,0,0,0|1,1,0]=4 2330 B13R1.128 CC(=O)CCSCc1cnc(s1)C 62a_100000053229_100020635045 [1,1,0,0,0,0|1,1,0]=4 2331 B13R1.128 CC(=O)CCSCc1cnc(s1)C 62a_100020635045_100000053229 [1,1,0,0,0,0|1,1,0]=4 2332 B13R1.128 CC(=O)CCSCc1cnc(s1)Cl 62a_100000053229_100000058068 [1,1,0,0,0,0|1,1,0]=4 2333 B13R1.128 CC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000053229 [1,1,0,0,0,0|1,1,0]=4 2334 B13R1.128 CC(=O)CCSCc1csc(n1)C 1458a_100000230772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2335 B13R1.128 CC(=O)CCSCc1csc(n1)C 62a_100000053229_100015186478 [1,1,0,0,0,0|2,0,0]=4 2336 B13R1.128 CC(=O)CCSCc1csc(n1)C 62a_100015186478_100000053229 [1,1,0,0,0,0|2,0,0]=4 2337 B13R1.128 CC(=O)CCSCc1csc(n1)Cl 62a_100000024076_100000053229 [1,1,0,0,0,0|2,0,0]=4 2338 B13R1.128 CC(=O)CCSCc1csc(n1)Cl 62a_100000053229_100000024076 [1,1,0,0,0,0|2,0,0]=4 2339 B13R1.128 CC(=O)CCSCc1nc(no1)C 62a_100000053229_100000735555 [1,1,0,0,0,0|2,0,0]=4 2340 B13R1.128 CC(=O)CCSCc1nc(no1)C 62a_100000735555_100000053229 [1,1,0,0,0,0|2,0,0]=4 2341 B13R1.128 CC(=O)CCSCc1nnc(o1)C 62a_100000053229_100000181450 [1,1,0,0,0,0|2,0,0]=4 2342 B13R1.128 CC(=O)CCSCc1nnc(o1)C 62a_100000181450_100000053229 [1,1,0,0,0,0|2,0,0]=4 2343 B13R1.128 CC(=O)OCNCc1ccc(o1)Br 34a_100000708654_100009813279 [1,1,0,0,0,0|2,0,0]=4 2344 B13R1.128 CC(=O)OCNCc1ccc(o1)C 34a_100011194323_100009813279 [1,1,0,0,0,0|2,0,0]=4 2345 B13R1.128 CC(=O)OCOCc1ccc(o1)Br 34a_100000246276_100009813279 [1,1,0,0,0,0|1,1,0]=4 2346 B13R1.128 CC(=O)OCOCc1ccc(o1)C 34a_100011232665_100009813279 [1,1,0,0,0,0|1,1,0]=4 2347 B13R1.128 CC(=O)OCSCc1cc(cs1)Br 62a_100000076356_100000746031 [1,1,0,0,0,0|1,1,0]=4 2348 B13R1.128 CC(=O)OCSCc1cc(cs1)Br 62a_100000746031_100000076356 [1,1,0,0,0,0|1,1,0]=4 2349 B13R1.128 CC(=O)OCSCc1cc(no1)Br 62a_100000076356_100000709089 [1,1,0,0,0,0|2,0,0]=4 2350 B13R1.128 CC(=O)OCSCc1cc(no1)Br 62a_100000709089_100000076356 [1,1,0,0,0,0|2,0,0]=4 2351 B13R1.128 CC(=O)OCSCc1cc(no1)C 62a_100000076356_100000707947 [1,1,0,0,0,0|2,0,0]=4 2352 B13R1.128 CC(=O)OCSCc1cc(no1)C 62a_100000707947_100000076356 [1,1,0,0,0,0|2,0,0]=4 2353 B13R1.128 CC(=O)OCSCc1ccc(s1)Br 62a_100000076356_100000708592 [1,1,0,0,0,0|1,1,0]=4 2354 B13R1.128 CC(=O)OCSCc1ccc(s1)Br 62a_100000708592_100000076356 [1,1,0,0,0,0|1,1,0]=4 2355 B13R1.128 CC(=O)OCSCc1ccc(s1)Cl 62a_100000076356_100000185097 [1,1,0,0,0,0|1,1,0]=4 2356 B13R1.128 CC(=O)OCSCc1ccc(s1)Cl 62a_100000185097_100000076356 [1,1,0,0,0,0|1,1,0]=4 2357 B13R1.128 Cc1cc(on1)CSCCC(=O)N 62a_100000707947_100000744528 [1,1,0,0,0,0|2,0,0]=4 2358 B13R1.128 Cc1cc(on1)CSCCC(=O)N 62a_100000744528_100000707947 [1,1,0,0,0,0|2,0,0]=4 2359 B13R1.128 Cc1ccc(o1)CNCCC(=O)N 207a_100000740010_100000183696 [1,1,0,0,0,0|2,0,0]=4 2360 B13R1.128 Cc1ccc(o1)CNCCC(=O)N 34a_100011194323_100000731001 [1,1,0,0,0,0|2,0,0]=4 2361 B13R1.128 Cc1ccc(o1)COCCC(=O)N 34a_100011232665_100000731001 [1,1,0,0,0,0|1,1,0]=4 2362 B13R1.128 Cc1ccc(o1)COCCC(=O)N 7a_100011232665_100000744528 [1,1,0,0,0,0|1,1,0]=4 2363 B13R1.128 Cc1nc(cs1)CSCCC(=O)[13CH3] 1458a_100000230772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2364 B13R1.128 NC(=O)CCNCc1ccc(o1)Br 207a_100000740010_100000185145 [1,1,0,0,0,0|2,0,0]=4 2365 B13R1.128 NC(=O)CCNCc1ccc(o1)Br 34a_100000708654_100000731001 [1,1,0,0,0,0|2,0,0]=4 2366 B13R1.128 NC(=O)CCNCc1ccc(o1)Cl 207a_100000740010_100000188459 [1,1,0,0,0,0|2,0,0]=4 2367 B13R1.128 NC(=O)CCNCc1ccc(o1)I 207a_100000740010_100000186757 [1,1,0,0,0,0|2,0,0]=4 2368 B13R1.128 NC(=O)CCOCc1ccc(o1)Br 34a_100000246276_100000731001 [1,1,0,0,0,0|1,1,0]=4 2369 B13R1.128 NC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000744528 [1,1,0,0,0,0|1,1,0]=4 2370 B13R1.128 NC(=O)CCSCc1cc(cs1)Br 62a_100000744528_100000746031 [1,1,0,0,0,0|1,1,0]=4 2371 B13R1.128 NC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000744528 [1,1,0,0,0,0|1,1,0]=4 2372 B13R1.128 NC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000744528 [1,1,0,0,0,0|2,0,0]=4 2373 B13R1.128 NC(=O)CCSCc1cc(no1)Br 62a_100000744528_100000709089 [1,1,0,0,0,0|2,0,0]=4 2374 B13R1.128 NC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000744528 [1,1,0,0,0,0|1,1,0]=4 2375 B13R1.128 NC(=O)CCSCc1ccc(s1)Br 62a_100000744528_100000708592 [1,1,0,0,0,0|1,1,0]=4 2376 B13R1.128 NC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000744528 [1,1,0,0,0,0|1,1,0]=4 2377 B13R1.128 NC(=O)CCSCc1ccc(s1)Cl 62a_100000744528_100000185097 [1,1,0,0,0,0|1,1,0]=4 2378 B13R1.167 C=C(C)CCOCc1occc1C 34a_100011273948_100000730704 [1,1,0,0,0,0|1,1,0]=4 2379 B13R1.167 C=C(C)CCOCc1occc1C 7a_100011273948_100000730704 [1,1,0,0,0,0|1,1,0]=4 2380 B13R1.167 CC(=O)CCOCc1occc1C 7a_100011273948_100000053229 [1,1,0,0,0,0|0,1,0]=3 2381 B13R1.167 CC(=O)CCOCc1ocnc1C 7a_100000717716_100000053229 [1,1,0,0,0,0|1,1,0]=4 2382 B13R1.167 CC(=O)CCOCc1sccc1C 7a_100000238368_100000053229 [1,1,0,0,0,0|0,2,0]=4 2383 B13R1.167 CC(=O)CCOCc1sccc1Cl 7a_100000722387_100000053229 [1,1,0,0,0,0|0,2,0]=4 2384 B13R1.167 CC(=O)CCSCc1ccnn1C 62a_100000053229_100000691648 [1,1,0,0,0,0|2,0,0]=4 2385 B13R1.167 CC(=O)CCSCc1ccnn1C 62a_100000691648_100000053229 [1,1,0,0,0,0|2,0,0]=4 2386 B13R1.167 CC(=O)CCSCc1ccsc1Br 62a_100000053229_100009814289 [1,1,0,0,0,0|2,0,0]=4 2387 B13R1.167 CC(=O)CCSCc1ccsc1Br 62a_100009814289_100000053229 [1,1,0,0,0,0|2,0,0]=4 2388 B13R1.167 CC(=O)CCSCc1ccsc1Cl 62a_100000053229_100010167017 [1,1,0,0,0,0|2,0,0]=4 2389 B13R1.167 CC(=O)CCSCc1ccsc1Cl 62a_100010167017_100000053229 [1,1,0,0,0,0|2,0,0]=4 2390 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000053229_100000751220 [1,1,0,0,0,0|2,0,0]=4 2391 B13R1.167 CC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000053229 [1,1,0,0,0,0|2,0,0]=4 2392 B13R1.167 CC(=O)CCSCc1nccn1C 62a_100000053229_100000700302 [1,1,0,0,0,0|2,0,0]=4 2393 B13R1.167 CC(=O)CCSCc1nccn1C 62a_100000700302_100000053229 [1,1,0,0,0,0|2,0,0]=4 2394 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_100000053229_200000693990 [1,1,0,0,0,0|2,0,0]=4 2395 B13R1.167 CC(=O)CCSCc1ncoc1C 62a_200000693990_100000053229 [1,1,0,0,0,0|2,0,0]=4 2396 B13R1.167 CC(=O)OCOCc1occc1C 34a_100011273948_100009813279 [1,1,0,0,0,0|1,1,0]=4 2397 B13R1.167 Cc1ccoc1CNCCC(=O)N 207a_100000740010_100000763527 [1,1,0,0,0,0|2,0,0]=4 2398 B13R1.167 Cc1ccoc1COCCC(=O)N 34a_100011273948_100000731001 [1,1,0,0,0,0|1,1,0]=4 2399 B13R1.167 Cc1ccoc1COCCC(=O)N 7a_100011273948_100000744528 [1,1,0,0,0,0|1,1,0]=4 2400 B13R1.342 C=C(C)CCN[C@H](C)c1ccco1 2230a_100160469435_100000730704 [1,1,0,0,0,0|2,0,0]=4 2401 B13R1.342 C=C(C)CCO[C@@H](C)c1ccco1 34a_100000755270_100000730704 [1,1,0,0,0,0|1,1,0]=4 2402 B13R1.342 C=C(C)CCO[C@@H](C)c1ccco1 7a_100000755270_100000730704 [1,1,0,0,0,0|1,1,0]=4 2403 B13R1.342 CC(=O)CCNC(=O)c1ccco1 1458a_100000184273_200000210301 [1,1,0,0,0,0|1,0,1]=4 2404 B13R1.342 CC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000053229 [1,1,0,0,0,0|0,1,0]=3 2405 B13R1.342 CC(=O)CCO[C@H](C)c1cccs1 7a_100000750433_100000053229 [1,1,0,0,0,0|0,2,0]=4 2406 B13R1.342 CC(=O)OCO[C@@H](C)c1ccco1 34a_100000755270_100009813279 [1,1,0,0,0,0|1,1,0]=4 2407 B13R1.342 C[C@@H](NCCC(=O)N)c1ccco1 2230a_100160469435_100000744528 [1,1,0,0,0,0|2,0,0]=4 2408 B13R1.342 C[C@H](OCCC(=O)N)c1ccco1 34a_100000755270_100000731001 [1,1,0,0,0,0|1,1,0]=4 2409 B13R1.342 C[C@H](OCCC(=O)N)c1ccco1 7a_100000755270_100000744528 [1,1,0,0,0,0|1,1,0]=4 2410 B13R1.342 [13CH3]C(=O)CCNC(=O)c1ccco1 1458a_100000184273_200025704644 [1,1,0,0,0,0|1,0,1]=4 2411 B13R1.344 C=C(C)CCC(=O)Cc1ccco1 1458a_100011217309_100000730704 [1,1,0,0,0,0|2,0,0]=4 2412 B13R1.344 C=C(C)CCN(C)Cc1ccco1 2230a_100000185268_100000730704 [1,1,0,0,0,0|2,0,0]=4 2413 B13R1.344 C=C(C)CCN(C)Cc1ccco1 269982a_100000185268_100000730704 [1,1,0,0,0,0|2,0,0]=4 2414 B13R1.344 CC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000053229 [1,1,0,0,0,0|1,0,0]=3 2415 B13R1.344 CC(=O)CCN(C)Cc1cccs1 269982a_100000184426_100000053229 [1,1,0,0,0,0|1,1,0]=4 2416 B13R1.344 CC(=O)OCN(C)Cc1ccco1 269982a_100000185268_100000076356 [1,1,0,0,0,0|2,0,0]=4 2417 B13R1.344 CN(CCC(=O)N)Cc1ccco1 2230a_100000185268_100000744528 [1,1,0,0,0,0|2,0,0]=4 2418 B13R1.344 CN(CCC(=O)N)Cc1ccco1 269982a_100000185268_100000744528 [1,1,0,0,0,0|2,0,0]=4 2419 B13R1.344 CN(CCC(=O)N)Cc1ccco1 270004a_100000730477_100000186105 [1,1,0,0,0,0|2,0,0]=4 2420 B13R1.593 CC(=O)CC(=O)NCc1ccco1 1458a_100000070787_100000183421 [1,1,0,0,0,0|1,0,1]=4 2421 B13R1.593 CC(=O)NC(C)CCc1ccco1 11a_100000199034_100015343762 [1,1,0,0,0,0|2,0,0]=4 2422 B13R1.593 CC(=O)NC(C)CCc1ccco1 1626a_100000199034_100015343762 [1,1,0,0,0,0|2,0,0]=4 2423 B13R1.593 CC(=O)NC(C)CCc1ccco1 527a_100000199034_100103153847 [1,1,0,0,0,0|2,0,0]=4 2424 B13R1.593 CC(=O)OC(C)SCc1ncco1 62a_100009818208_103436540062 [1,1,0,0,0,0|2,0,0]=4 2425 B13R1.593 CC(=O)OC(C)SCc1ncco1 62a_103436540062_100009818208 [1,1,0,0,0,0|2,0,0]=4 2426 B13R1.1110 CC(=O)C(=O)CNCc1ccco1 34a_100000185738_100011261029 [1,1,0,0,0,0|1,0,1]=4 2427 B13R1.1110 CC(=O)C(=O)COCc1ccco1 34a_100000210059_100011261029 [1,1,0,0,0,0|0,1,1]=4 2428 B13R1.1110 CC(=O)C(=O)CSCc1ncco1 62a_100011261029_103436540062 [1,1,0,0,0,0|1,0,1]=4 2429 B13R1.1110 CC(=O)C(=O)CSCc1ncco1 62a_103436540062_100011261029 [1,1,0,0,0,0|1,0,1]=4 2430 B13R1.1110 CC(=O)C(C)COCc1ncco1 34a_100000032740_103436540062 [1,1,0,0,0,0|1,1,0]=4 2431 B13R1.1110 CC(=O)C(C)COCc1ncco1 7a_100000032740_103436540062 [1,1,0,0,0,0|1,1,0]=4 2432 B13R1.1110 CC(=O)C(C)NCCc1ccco1 2230a_100000694680_100009814033 [1,1,0,0,0,0|2,0,0]=4 2433 B13R1.1110 CC(CNCc1ncco1)C(=O)O 269956a_100000749485_103436540062 [1,1,0,0,0,0|2,0,0]=4 2434 B13R1.1110 CC(CSCc1ccco1)N(C)C 270004a_100102631434_200000149978 [1,1,0,0,0,0|2,0,0]=4 2435 B13R1.1110 O=C(O)C(F)CNCc1ncco1 269956a_100000084737_103436540062 [1,1,0,0,0,0|2,0,0]=4 2436 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 207a_100000740961_100000186105 [1,1,0,0,0,0|2,0,0]=4 2437 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 2230a_100000185738_100000731031 [1,1,0,0,0,0|2,0,0]=4 2438 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 270004a_100000740961_100000186105 [1,1,0,0,0,0|2,0,0]=4 2439 B13R1.2904 CS(=O)(=O)CCNCc1ccco1 34a_100000185738_100000731031 [1,1,0,0,0,0|2,0,0]=4 2440 B13R1.2904 CS(=O)(=O)CCOCc1ccco1 34a_100000210059_100000731031 [1,1,0,0,0,0|1,1,0]=4 2441 B13R1.2904 CS(=O)(=O)CCSCc1ncco1 62a_100000731031_103436540062 [1,1,0,0,0,0|2,0,0]=4 2442 B13R1.2904 CS(=O)(=O)CCSCc1ncco1 62a_103436540062_100000230027 [1,1,0,0,0,0|2,0,0]=4 2443 B13R1.162 CCC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747405 [0,1,0,0,1,0|1,1,0]=4 2444 B13R1.162 CCC(=O)NCC(O)c1ccco1 527a_100000738650_100000210414 [0,1,0,0,1,0|2,0,0]=4 2445 B13R1.162 CNC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000183359 [0,1,0,0,1,0|2,0,0]=4 2446 B13R1.162 CNC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000183359 [0,1,0,0,1,0|1,1,0]=4 2447 B13R1.162 CNC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000183359 [0,1,0,0,1,0|1,1,0]=4 2448 B13R1.162 CNC(=O)NCC(O)c1ccco1 2708a_100102657272_100000738650 [0,1,0,0,1,0|2,0,0]=4 2449 B13R1.162 CNC(=O)NCC(O)c1ccco1 273464a_100102657272_100000738650 [0,1,0,0,1,0|2,0,0]=4 2450 B13R1.162 CNC(=O)NCC(O)c1ccco1 512a_106832991638_100000738650 [0,1,0,0,1,0|2,0,0]=4 2451 B13R1.162 COC(=O)CNC(C)c1cccs1 2230a_100000703493_100000747449 [0,1,0,0,1,0|1,1,0]=4 2452 B13R1.162 COC(=O)CN[C@H](C)c1ccco1 2230a_100160469435_100000747449 [0,1,0,0,1,0|1,0,0]=3 2453 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100000747449 [0,1,0,0,1,0|0,1,0]=3 2454 B13R1.162 COC(=O)CO[C@@H](C)c1ccco1 7a_100000755270_100000747449 [0,1,0,0,1,0|0,1,0]=3 2455 B13R1.162 COC(=O)CO[C@H](C)c1cccs1 7a_100000750433_100000747449 [0,1,0,0,1,0|0,2,0]=4 2456 B13R1.252 CCS(=O)(=O)CCSc1ccco1 62a_100000756660_100009814098 [0,1,0,0,1,0|2,0,0]=4 2457 B13R1.252 CCS(=O)(=O)CCSc1ccco1 62a_100009814098_100000756660 [0,1,0,0,1,0|2,0,0]=4 2458 B13R1.415 COC(CCSc1ccco1)OC 62a_100000139399_100009814098 [0,1,0,0,1,0|0,0,2]=4 2459 B13R1.415 COC(CCSc1ccco1)OC 62a_100009814098_100000139399 [0,1,0,0,1,0|0,0,2]=4 2460 B13R1.545 CCC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747405 [0,1,0,0,1,0|1,0,1]=4 2461 B13R1.545 CCC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747405 [0,1,0,0,1,0|2,0,0]=4 2462 B13R1.545 CNC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000183359 [0,1,0,0,1,0|1,0,1]=4 2463 B13R1.545 CNC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000183359 [0,1,0,0,1,0|2,0,0]=4 2464 B13R1.545 CNC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000183359 [0,1,0,0,1,0|2,0,0]=4 2465 B13R1.545 CNC(=O)CN(C)Cc1ccco1 270004a_100000189611_100000186105 [0,1,0,0,1,0|2,0,0]=4 2466 B13R1.545 COC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000747449 [0,1,0,0,1,0|1,0,1]=4 2467 B13R1.545 COC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000747449 [0,1,0,0,1,0|0,0,1]=3 2468 B13R1.545 COC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000747449 [0,1,0,0,1,0|0,1,1]=4 2469 B13R1.545 COC(=O)CC(=O)Cc1ncco1 1458a_100000211351_103436540062 [0,1,0,0,1,0|1,0,1]=4 2470 B13R1.545 COC(=O)CC(C)Sc1c[nH]cn1 62a_100000756875_100009817358 [0,1,0,0,1,0|2,0,0]=4 2471 B13R1.545 COC(=O)CC(C)Sc1c[nH]cn1 62a_100009817358_100000756875 [0,1,0,0,1,0|2,0,0]=4 2472 B13R1.545 COC(=O)CC(C)Sc1cc[nH]n1 62a_100000062575_100009817358 [0,1,0,0,1,0|2,0,0]=4 2473 B13R1.545 COC(=O)CC(C)Sc1cc[nH]n1 62a_100009817358_100000062575 [0,1,0,0,1,0|2,0,0]=4 2474 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009814098_100009817358 [0,1,0,0,1,0|0,0,0]=2 2475 B13R1.545 COC(=O)CC(C)Sc1ccco1 62a_100009817358_100009814098 [0,1,0,0,1,0|0,0,0]=2 2476 B13R1.545 COC(=O)CC(C)Sc1cccs1 62a_100009817358_100011215356 [0,1,0,0,1,0|0,1,0]=3 2477 B13R1.545 COC(=O)CC(C)Sc1cccs1 62a_100011215356_100009817358 [0,1,0,0,1,0|0,1,0]=3 2478 B13R1.545 COC(=O)CC(C)Sc1ccoc1 62a_100009817358_100011215275 [0,1,0,0,1,0|2,0,0]=4 2479 B13R1.545 COC(=O)CC(C)Sc1ccoc1 62a_100011215275_100009817358 [0,1,0,0,1,0|2,0,0]=4 2480 B13R1.545 COC(=O)CC(C)Sc1ccon1 62a_100009817358_100009818083 [0,1,0,0,1,0|2,0,0]=4 2481 B13R1.545 COC(=O)CC(C)Sc1ccon1 62a_100009818083_100009817358 [0,1,0,0,1,0|2,0,0]=4 2482 B13R1.545 COC(=O)CC(C)Sc1ccsc1 62a_100000738268_100009817358 [0,1,0,0,1,0|2,0,0]=4 2483 B13R1.545 COC(=O)CC(C)Sc1ccsc1 62a_100009817358_100000738268 [0,1,0,0,1,0|2,0,0]=4 2484 B13R1.545 COC(=O)CC(C)Sc1ccsn1 62a_100009817358_100009818082 [0,1,0,0,1,0|2,0,0]=4 2485 B13R1.545 COC(=O)CC(C)Sc1ccsn1 62a_100009818082_100009817358 [0,1,0,0,1,0|2,0,0]=4 2486 B13R1.545 COC(=O)CC(C)Sc1cnco1 62a_100009817358_100020591547 [0,1,0,0,1,0|1,0,0]=3 2487 B13R1.545 COC(=O)CC(C)Sc1cnco1 62a_100020591547_100009817358 [0,1,0,0,1,0|1,0,0]=3 2488 B13R1.545 COC(=O)CC(C)Sc1cncs1 62a_100009817358_100011934649 [0,1,0,0,1,0|1,1,0]=4 2489 B13R1.545 COC(=O)CC(C)Sc1cncs1 62a_100011934649_100009817358 [0,1,0,0,1,0|1,1,0]=4 2490 B13R1.545 COC(=O)CC(C)Sc1cscn1 62a_100000751502_100009817358 [0,1,0,0,1,0|2,0,0]=4 2491 B13R1.545 COC(=O)CC(C)Sc1cscn1 62a_100009817358_100000751502 [0,1,0,0,1,0|2,0,0]=4 2492 B13R1.545 COC(=O)CC(C)Sc1ncc[nH]1 62a_100009817358_100025796157 [0,1,0,0,1,0|2,0,0]=4 2493 B13R1.545 COC(=O)CC(C)Sc1ncc[nH]1 62a_100025796157_100009817358 [0,1,0,0,1,0|2,0,0]=4 2494 B13R1.545 COC(=O)CC(C)Sc1ncco1 62a_100009817358_100011787736 [0,1,0,0,1,0|1,0,0]=3 2495 B13R1.545 COC(=O)CC(C)Sc1ncco1 62a_100011787736_100009817358 [0,1,0,0,1,0|1,0,0]=3 2496 B13R1.545 COC(=O)CC(C)Sc1nccs1 62a_100000211983_100009817358 [0,1,0,0,1,0|1,1,0]=4 2497 B13R1.545 COC(=O)CC(C)Sc1nccs1 62a_100009817358_100000211983 [0,1,0,0,1,0|1,1,0]=4 2498 B13R1.545 COC(=O)CN(C)Cc1ccco1 2230a_100000185268_100000747449 [0,1,0,0,1,0|1,0,0]=3 2499 B13R1.545 COC(=O)CN(C)Cc1ccco1 269982a_100000185268_100000747449 [0,1,0,0,1,0|1,0,0]=3 2500 B13R1.545 COC(=O)CN(C)Cc1ccco1 270004a_100000198492_100000186105 [0,1,0,0,1,0|1,0,0]=3 2501 B13R1.545 COC(=O)CN(C)Cc1cccs1 2230a_100000184426_100000747449 [0,1,0,0,1,0|1,1,0]=4 2502 B13R1.545 COC(=O)CN(C)Cc1cccs1 269982a_100000184426_100000747449 [0,1,0,0,1,0|1,1,0]=4 2503 B13R1.545 COC(=O)CN(C)Cc1cccs1 270004a_100000198492_100000209959 [0,1,0,0,1,0|1,1,0]=4 2504 B13R1.545 COC(=O)CN(C)Cc1cnco1 270004a_100000198492_100000064291 [0,1,0,0,1,0|2,0,0]=4 2505 B13R1.545 COC(=O)CN(C)Cc1ncco1 2230a_100000198492_103436540062 [0,1,0,0,1,0|2,0,0]=4 2506 B13R1.545 COC(=O)CN(C)Cc1ncco1 270004a_100000198492_100000064290 [0,1,0,0,1,0|2,0,0]=4 2507 B13R1.554 C=C(CSc1ccco1)C(=O)OC 62a_100009813391_100009814098 [0,1,0,0,1,0|0,0,1]=3 2508 B13R1.554 C=C(CSc1ccco1)C(=O)OC 62a_100009814098_100009813391 [0,1,0,0,1,0|0,0,1]=3 2509 B13R1.554 C=C(CSc1cccs1)C(=O)OC 62a_100009813391_100011215356 [0,1,0,0,1,0|0,1,1]=4 2510 B13R1.554 C=C(CSc1cccs1)C(=O)OC 62a_100011215356_100009813391 [0,1,0,0,1,0|0,1,1]=4 2511 B13R1.554 C=C(CSc1cnco1)C(=O)OC 62a_100009813391_100020591547 [0,1,0,0,1,0|1,0,1]=4 2512 B13R1.554 C=C(CSc1cnco1)C(=O)OC 62a_100020591547_100009813391 [0,1,0,0,1,0|1,0,1]=4 2513 B13R1.554 C=C(CSc1ncco1)C(=O)OC 62a_100009813391_100011787736 [0,1,0,0,1,0|1,0,1]=4 2514 B13R1.554 C=C(CSc1ncco1)C(=O)OC 62a_100011787736_100009813391 [0,1,0,0,1,0|1,0,1]=4 2515 B13R1.554 CCC(=O)C(C)NCc1ccco1 2230a_100000185738_100000742827 [0,1,0,0,1,0|2,0,0]=4 2516 B13R1.554 CCC(=O)C(C)SCc1ncco1 62a_100000742827_103436540062 [0,1,0,0,1,0|2,0,0]=4 2517 B13R1.554 CCC(=O)C(C)SCc1ncco1 62a_103436540062_100000742827 [0,1,0,0,1,0|2,0,0]=4 2518 B13R1.554 CNC(=O)C(C)NCc1ccco1 2230a_100000185738_100000731044 [0,1,0,0,1,0|2,0,0]=4 2519 B13R1.554 CNC(=O)C(C)NCc1ccco1 34a_100000185738_100000731044 [0,1,0,0,1,0|2,0,0]=4 2520 B13R1.554 CNC(=O)C(C)OCc1ccco1 34a_100000210059_100000731044 [0,1,0,0,1,0|1,1,0]=4 2521 B13R1.554 CNC(=O)C(C)SCc1ncco1 62a_100000209862_103436540062 [0,1,0,0,1,0|2,0,0]=4 2522 B13R1.554 CNC(=O)C(C)SCc1ncco1 62a_103436540062_100000731044 [0,1,0,0,1,0|2,0,0]=4 2523 B13R1.554 CNC(=O)C(F)NCc1ccco1 2230a_100000185738_100009813575 [0,1,0,0,1,0|2,0,0]=4 2524 B13R1.554 CNC(=O)C(F)NCc1ccco1 34a_100000185738_100009813575 [0,1,0,0,1,0|2,0,0]=4 2525 B13R1.554 CNC(=O)C(F)OCc1ccco1 34a_100000210059_100009813575 [0,1,0,0,1,0|1,1,0]=4 2526 B13R1.554 CNC(=O)C(F)SCc1ncco1 62a_100009813575_103436540062 [0,1,0,0,1,0|2,0,0]=4 2527 B13R1.554 CNC(=O)C(F)SCc1ncco1 62a_103436540062_100009813575 [0,1,0,0,1,0|2,0,0]=4 2528 B13R1.554 COC(=O)C(=O)CSc1ccco1 62a_100009814098_100011610305 [0,1,0,0,1,0|0,0,1]=3 2529 B13R1.554 COC(=O)C(=O)CSc1ccco1 62a_100011610305_100009814098 [0,1,0,0,1,0|0,0,1]=3 2530 B13R1.554 COC(=O)C(=O)CSc1cccs1 62a_100011215356_100011610305 [0,1,0,0,1,0|0,1,1]=4 2531 B13R1.554 COC(=O)C(=O)CSc1cccs1 62a_100011610305_100011215356 [0,1,0,0,1,0|0,1,1]=4 2532 B13R1.554 COC(=O)C(=O)CSc1cnco1 62a_100011610305_100020591547 [0,1,0,0,1,0|1,0,1]=4 2533 B13R1.554 COC(=O)C(=O)CSc1cnco1 62a_100020591547_100011610305 [0,1,0,0,1,0|1,0,1]=4 2534 B13R1.554 COC(=O)C(=O)CSc1ncco1 62a_100011610305_100011787736 [0,1,0,0,1,0|1,0,1]=4 2535 B13R1.554 COC(=O)C(=O)CSc1ncco1 62a_100011787736_100011610305 [0,1,0,0,1,0|1,0,1]=4 2536 B13R1.554 COC(=O)C(=O)NCc1ccco1 11a_100000185738_100000024059 [0,1,0,0,1,0|1,0,1]=4 2537 B13R1.554 COC(=O)C(=O)NCc1ccco1 1626a_100000185738_100000024059 [0,1,0,0,1,0|1,0,1]=4 2538 B13R1.554 COC(=O)C(=O)NCc1ccco1 240690a_100000185738_100000024059 [0,1,0,0,1,0|1,0,1]=4 2539 B13R1.554 COC(=O)C(=O)NCc1ccco1 527a_100000185738_100000024059 [0,1,0,0,1,0|1,0,1]=4 2540 B13R1.554 COC(=O)C(C)CSc1c[nH]cn1 62a_100000698445_100000756875 [0,1,0,0,1,0|2,0,0]=4 2541 B13R1.554 COC(=O)C(C)CSc1c[nH]cn1 62a_100000756875_100000698445 [0,1,0,0,1,0|2,0,0]=4 2542 B13R1.554 COC(=O)C(C)CSc1cc[nH]n1 62a_100000062575_100000698445 [0,1,0,0,1,0|2,0,0]=4 2543 B13R1.554 COC(=O)C(C)CSc1cc[nH]n1 62a_100000698445_100000062575 [0,1,0,0,1,0|2,0,0]=4 2544 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100000698445_100009814098 [0,1,0,0,1,0|0,0,0]=2 2545 B13R1.554 COC(=O)C(C)CSc1ccco1 62a_100009814098_100000698445 [0,1,0,0,1,0|0,0,0]=2 2546 B13R1.554 COC(=O)C(C)CSc1cccs1 62a_100000698445_100011215356 [0,1,0,0,1,0|0,1,0]=3 2547 B13R1.554 COC(=O)C(C)CSc1cccs1 62a_100011215356_100000698445 [0,1,0,0,1,0|0,1,0]=3 2548 B13R1.554 COC(=O)C(C)CSc1ccoc1 62a_100000698445_100011215275 [0,1,0,0,1,0|2,0,0]=4 2549 B13R1.554 COC(=O)C(C)CSc1ccoc1 62a_100011215275_100000698445 [0,1,0,0,1,0|2,0,0]=4 2550 B13R1.554 COC(=O)C(C)CSc1ccon1 62a_100000698445_100009818083 [0,1,0,0,1,0|2,0,0]=4 2551 B13R1.554 COC(=O)C(C)CSc1ccon1 62a_100009818083_100000698445 [0,1,0,0,1,0|2,0,0]=4 2552 B13R1.554 COC(=O)C(C)CSc1ccsc1 62a_100000698445_100000738268 [0,1,0,0,1,0|2,0,0]=4 2553 B13R1.554 COC(=O)C(C)CSc1ccsc1 62a_100000738268_100000698445 [0,1,0,0,1,0|2,0,0]=4 2554 B13R1.554 COC(=O)C(C)CSc1ccsn1 62a_100000698445_100009818082 [0,1,0,0,1,0|2,0,0]=4 2555 B13R1.554 COC(=O)C(C)CSc1ccsn1 62a_100009818082_100000698445 [0,1,0,0,1,0|2,0,0]=4 2556 B13R1.554 COC(=O)C(C)CSc1cnco1 62a_100000698445_100020591547 [0,1,0,0,1,0|1,0,0]=3 2557 B13R1.554 COC(=O)C(C)CSc1cnco1 62a_100020591547_100000698445 [0,1,0,0,1,0|1,0,0]=3 2558 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100000698445_100011934649 [0,1,0,0,1,0|1,1,0]=4 2559 B13R1.554 COC(=O)C(C)CSc1cncs1 62a_100011934649_100000698445 [0,1,0,0,1,0|1,1,0]=4 2560 B13R1.554 COC(=O)C(C)CSc1cscn1 62a_100000698445_100000751502 [0,1,0,0,1,0|2,0,0]=4 2561 B13R1.554 COC(=O)C(C)CSc1cscn1 62a_100000751502_100000698445 [0,1,0,0,1,0|2,0,0]=4 2562 B13R1.554 COC(=O)C(C)CSc1ncc[nH]1 62a_100000698445_100025796157 [0,1,0,0,1,0|2,0,0]=4 2563 B13R1.554 COC(=O)C(C)CSc1ncc[nH]1 62a_100025796157_100000698445 [0,1,0,0,1,0|2,0,0]=4 2564 B13R1.554 COC(=O)C(C)CSc1ncco1 62a_100000698445_100011787736 [0,1,0,0,1,0|1,0,0]=3 2565 B13R1.554 COC(=O)C(C)CSc1ncco1 62a_100011787736_100000698445 [0,1,0,0,1,0|1,0,0]=3 2566 B13R1.554 COC(=O)C(C)CSc1nccs1 62a_100000211983_100000698445 [0,1,0,0,1,0|1,1,0]=4 2567 B13R1.554 COC(=O)C(C)CSc1nccs1 62a_100000698445_100000211983 [0,1,0,0,1,0|1,1,0]=4 2568 B13R1.554 COC(=O)C(C)NCc1ccco1 2230a_100000185738_100000211248 [0,1,0,0,1,0|1,0,0]=3 2569 B13R1.554 COC(=O)C(C)NCc1ccco1 34a_100000185738_100000211248 [0,1,0,0,1,0|1,0,0]=3 2570 B13R1.554 COC(=O)C(C)NCc1cccs1 2230a_100000211653_100000211248 [0,1,0,0,1,0|1,1,0]=4 2571 B13R1.554 COC(=O)C(C)NCc1ncco1 2230a_100016994969_100000211248 [0,1,0,0,1,0|2,0,0]=4 2572 B13R1.554 COC(=O)C(C)OCc1ccco1 34a_100000210059_100000211248 [0,1,0,0,1,0|0,1,0]=3 2573 B13R1.554 COC(=O)C(C)OCc1cccs1 34a_100000211240_100000211248 [0,1,0,0,1,0|0,2,0]=4 2574 B13R1.554 COC(=O)C(C)OCc1ccno1 34a_100000740478_100000211248 [0,1,0,0,1,0|1,1,0]=4 2575 B13R1.554 COC(=O)C(C)OCc1ncco1 34a_100000062594_100000211248 [0,1,0,0,1,0|1,1,0]=4 2576 B13R1.554 COC(=O)C(C)OCc1ncco1 34a_100011215400_103436540062 [0,1,0,0,1,0|1,1,0]=4 2577 B13R1.554 COC(=O)C(C)SCc1c[nH]cn1 62a_100000211248_100000707719 [0,1,0,0,1,0|2,0,0]=4 2578 B13R1.554 COC(=O)C(C)SCc1c[nH]cn1 62a_100000707719_100000211248 [0,1,0,0,1,0|2,0,0]=4 2579 B13R1.554 COC(=O)C(C)SCc1ccn[nH]1 62a_100000211248_100000728653 [0,1,0,0,1,0|2,0,0]=4 2580 B13R1.554 COC(=O)C(C)SCc1ccn[nH]1 62a_100000728653_100000211248 [0,1,0,0,1,0|2,0,0]=4 2581 B13R1.554 COC(=O)C(C)SCc1ccon1 62a_100000211248_100000234950 [0,1,0,0,1,0|2,0,0]=4 2582 B13R1.554 COC(=O)C(C)SCc1ccon1 62a_100000234950_100000211248 [0,1,0,0,1,0|2,0,0]=4 2583 B13R1.554 COC(=O)C(C)SCc1ccsc1 62a_100000211248_100011233845 [0,1,0,0,1,0|2,0,0]=4 2584 B13R1.554 COC(=O)C(C)SCc1ccsc1 62a_100011261437_100000211248 [0,1,0,0,1,0|2,0,0]=4 2585 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100000211248_100015185245 [0,1,0,0,1,0|1,1,0]=4 2586 B13R1.554 COC(=O)C(C)SCc1cncs1 62a_100015185245_100000211248 [0,1,0,0,1,0|1,1,0]=4 2587 B13R1.554 COC(=O)C(C)SCc1cscn1 62a_100000205941_100000211248 [0,1,0,0,1,0|2,0,0]=4 2588 B13R1.554 COC(=O)C(C)SCc1cscn1 62a_100000211248_100000205941 [0,1,0,0,1,0|2,0,0]=4 2589 B13R1.554 COC(=O)C(C)SCc1ncc[nH]1 62a_100000211248_100016991755 [0,1,0,0,1,0|2,0,0]=4 2590 B13R1.554 COC(=O)C(C)SCc1ncc[nH]1 62a_100016991755_100000211248 [0,1,0,0,1,0|2,0,0]=4 2591 B13R1.554 COC(=O)C(C)SCc1ncco1 62a_100000211248_103436540062 [0,1,0,0,1,0|1,0,0]=3 2592 B13R1.554 COC(=O)C(C)SCc1ncco1 62a_103436540062_100000211248 [0,1,0,0,1,0|1,0,0]=3 2593 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100000211248_100015184050 [0,1,0,0,1,0|1,1,0]=4 2594 B13R1.554 COC(=O)C(C)SCc1nccs1 62a_100015184050_100000211248 [0,1,0,0,1,0|1,1,0]=4 2595 B13R1.599 CCC(=O)COCc1occc1C 7a_100011273948_100000747405 [0,1,0,0,1,0|1,1,0]=4 2596 B13R1.599 CNC(=O)CCSc1sccc1Br 62a_100000737683_100012361411 [0,1,0,0,1,0|1,1,0]=4 2597 B13R1.599 CNC(=O)CCSc1sccc1Br 62a_100012361411_100000737683 [0,1,0,0,1,0|1,1,0]=4 2598 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100000737683_100010247149 [0,1,0,0,1,0|1,1,0]=4 2599 B13R1.599 CNC(=O)CCSc1sccc1C 62a_100010247149_100000737683 [0,1,0,0,1,0|1,1,0]=4 2600 B13R1.599 CNC(=O)CNCc1occc1Br 270004a_100000693194_100000756499 [0,1,0,0,1,0|2,0,0]=4 2601 B13R1.599 CNC(=O)CNCc1occc1C 207a_100000693194_100000763527 [0,1,0,0,1,0|2,0,0]=4 2602 B13R1.599 CNC(=O)CNCc1occc1C 270004a_100000693194_100000763527 [0,1,0,0,1,0|2,0,0]=4 2603 B13R1.599 CNC(=O)COCc1occc1C 34a_100011273948_100000183359 [0,1,0,0,1,0|1,1,0]=4 2604 B13R1.599 CNC(=O)COCc1occc1C 7a_100011273948_100000183359 [0,1,0,0,1,0|1,1,0]=4 2605 B13R1.599 COC(=O)CCSc1[nH]cnc1Cl 62a_100000204255_100010200774 [0,1,0,0,1,0|2,0,0]=4 2606 B13R1.599 COC(=O)CCSc1[nH]cnc1Cl 62a_100010200774_100000204255 [0,1,0,0,1,0|2,0,0]=4 2607 B13R1.599 COC(=O)CCSc1ccnn1C 62a_100000204255_100000688441 [0,1,0,0,1,0|2,0,0]=4 2608 B13R1.599 COC(=O)CCSc1ccnn1C 62a_100000688441_100000204255 [0,1,0,0,1,0|2,0,0]=4 2609 B13R1.599 COC(=O)CCSc1ccsc1C 62a_100000204255_100000684487 [0,1,0,0,1,0|2,0,0]=4 2610 B13R1.599 COC(=O)CCSc1ccsc1C 62a_100000684487_100000204255 [0,1,0,0,1,0|2,0,0]=4 2611 B13R1.599 COC(=O)CCSc1cncn1C 62a_100000204255_100009814087 [0,1,0,0,1,0|2,0,0]=4 2612 B13R1.599 COC(=O)CCSc1cncn1C 62a_100009814087_100000204255 [0,1,0,0,1,0|2,0,0]=4 2613 B13R1.599 COC(=O)CCSc1cscc1Br 62a_100000204255_100010143727 [0,1,0,0,1,0|2,0,0]=4 2614 B13R1.599 COC(=O)CCSc1cscc1Br 62a_100010143727_100000204255 [0,1,0,0,1,0|2,0,0]=4 2615 B13R1.599 COC(=O)CCSc1cscc1C 62a_100000204255_100000759966 [0,1,0,0,1,0|2,0,0]=4 2616 B13R1.599 COC(=O)CCSc1cscc1C 62a_100000759966_100000204255 [0,1,0,0,1,0|2,0,0]=4 2617 B13R1.599 COC(=O)CCSc1n[nH]cc1Br 62a_100000204255_100015839836 [0,1,0,0,1,0|2,0,0]=4 2618 B13R1.599 COC(=O)CCSc1n[nH]cc1Br 62a_100015839836_100000204255 [0,1,0,0,1,0|2,0,0]=4 2619 B13R1.599 COC(=O)CCSc1n[nH]cc1C 62a_100000204255_100009871783 [0,1,0,0,1,0|2,0,0]=4 2620 B13R1.599 COC(=O)CCSc1n[nH]cc1C 62a_100009871783_100000204255 [0,1,0,0,1,0|2,0,0]=4 2621 B13R1.599 COC(=O)CCSc1n[nH]cc1N 62a_100000204255_100010894806 [0,1,0,0,1,0|2,0,0]=4 2622 B13R1.599 COC(=O)CCSc1n[nH]cc1N 62a_100010894806_100000204255 [0,1,0,0,1,0|2,0,0]=4 2623 B13R1.599 COC(=O)CCSc1nc[nH]c1C 62a_100000204255_100010186451 [0,1,0,0,1,0|2,0,0]=4 2624 B13R1.599 COC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000204255 [0,1,0,0,1,0|2,0,0]=4 2625 B13R1.599 COC(=O)CCSc1nccn1C 62a_100000204255_100000707724 [0,1,0,0,1,0|2,0,0]=4 2626 B13R1.599 COC(=O)CCSc1nccn1C 62a_100000707724_100000204255 [0,1,0,0,1,0|2,0,0]=4 2627 B13R1.599 COC(=O)CCSc1ncsc1C 62a_100000204255_100000732656 [0,1,0,0,1,0|2,0,0]=4 2628 B13R1.599 COC(=O)CCSc1ncsc1C 62a_100000732656_100000204255 [0,1,0,0,1,0|2,0,0]=4 2629 B13R1.599 COC(=O)CCSc1sccc1Br 62a_100000204255_100012361411 [0,1,0,0,1,0|0,1,0]=3 2630 B13R1.599 COC(=O)CCSc1sccc1Br 62a_100012361411_100000204255 [0,1,0,0,1,0|0,1,0]=3 2631 B13R1.599 COC(=O)CCSc1sccc1C 62a_100000204255_100010247149 [0,1,0,0,1,0|0,1,0]=3 2632 B13R1.599 COC(=O)CCSc1sccc1C 62a_100010247149_100000204255 [0,1,0,0,1,0|0,1,0]=3 2633 B13R1.599 COC(=O)CCSc1scnc1C 62a_100000204255_100009817116 [0,1,0,0,1,0|1,1,0]=4 2634 B13R1.599 COC(=O)CCSc1scnc1C 62a_100009817116_100000204255 [0,1,0,0,1,0|1,1,0]=4 2635 B13R1.599 COC(=O)CNCc1cccn1C 34a_100011219357_100000747449 [0,1,0,0,1,0|2,0,0]=4 2636 B13R1.599 COC(=O)CNCc1sccc1C 2230a_100000238519_100000747449 [0,1,0,0,1,0|1,1,0]=4 2637 B13R1.599 COC(=O)CNCc1sccc1C 34a_100000238519_100000747449 [0,1,0,0,1,0|1,1,0]=4 2638 B13R1.599 COC(=O)CNCc1sccc1Cl 2230a_100011934584_100000747449 [0,1,0,0,1,0|1,1,0]=4 2639 B13R1.599 COC(=O)CNCc1sccc1Cl 34a_100011934584_100000747449 [0,1,0,0,1,0|1,1,0]=4 2640 B13R1.599 COC(=O)COCc1occc1C 34a_100011273948_100000747449 [0,1,0,0,1,0|0,1,0]=3 2641 B13R1.599 COC(=O)COCc1occc1C 7a_100011273948_100000747449 [0,1,0,0,1,0|0,1,0]=3 2642 B13R1.599 COC(=O)COCc1ocnc1C 34a_100000717716_100000747449 [0,1,0,0,1,0|1,1,0]=4 2643 B13R1.599 COC(=O)COCc1ocnc1C 7a_100000717716_100000747449 [0,1,0,0,1,0|1,1,0]=4 2644 B13R1.599 COC(=O)COCc1oncc1C 34a_200011065769_100000747449 [0,1,0,0,1,0|1,1,0]=4 2645 B13R1.599 COC(=O)COCc1sccc1Br 34a_100000702026_100000747449 [0,1,0,0,1,0|0,2,0]=4 2646 B13R1.599 COC(=O)COCc1sccc1C 34a_100000238368_100000747449 [0,1,0,0,1,0|0,2,0]=4 2647 B13R1.599 COC(=O)COCc1sccc1C 7a_100000238368_100000747449 [0,1,0,0,1,0|0,2,0]=4 2648 B13R1.599 COC(=O)COCc1sccc1Cl 34a_100000722387_100000747449 [0,1,0,0,1,0|0,2,0]=4 2649 B13R1.599 COC(=O)COCc1sccc1Cl 7a_100000722387_100000747449 [0,1,0,0,1,0|0,2,0]=4 2650 B13R1.599 COC(=O)CSCc1ccnn1C 62a_100000691648_100000747449 [0,1,0,0,1,0|2,0,0]=4 2651 B13R1.599 COC(=O)CSCc1ccnn1C 62a_100000747449_100000691648 [0,1,0,0,1,0|2,0,0]=4 2652 B13R1.599 COC(=O)CSCc1ccsc1Br 62a_100000747449_100009814289 [0,1,0,0,1,0|2,0,0]=4 2653 B13R1.599 COC(=O)CSCc1ccsc1Br 62a_100009814289_100000747449 [0,1,0,0,1,0|2,0,0]=4 2654 B13R1.599 COC(=O)CSCc1ccsc1Cl 62a_100000747449_100010167017 [0,1,0,0,1,0|2,0,0]=4 2655 B13R1.599 COC(=O)CSCc1ccsc1Cl 62a_100010167017_100000747449 [0,1,0,0,1,0|2,0,0]=4 2656 B13R1.599 COC(=O)CSCc1nc[nH]c1C 62a_100000747449_100000751220 [0,1,0,0,1,0|2,0,0]=4 2657 B13R1.599 COC(=O)CSCc1nc[nH]c1C 62a_100000751220_100000747449 [0,1,0,0,1,0|2,0,0]=4 2658 B13R1.599 COC(=O)CSCc1nccn1C 62a_100000700302_100000747449 [0,1,0,0,1,0|2,0,0]=4 2659 B13R1.599 COC(=O)CSCc1nccn1C 62a_100000747449_100000700302 [0,1,0,0,1,0|2,0,0]=4 2660 B13R1.599 COC(=O)CSCc1ncoc1C 62a_100000747449_200000693990 [0,1,0,0,1,0|2,0,0]=4 2661 B13R1.599 COC(=O)CSCc1ncoc1C 62a_200000693990_100000747449 [0,1,0,0,1,0|2,0,0]=4 2662 B13R1.599 COC(=O)OCSc1sccc1Br 62a_100012361411_100000139417 [0,1,0,0,1,0|1,1,0]=4 2663 B13R1.599 COC(=O)OCSc1sccc1C 62a_100010247149_100000139417 [0,1,0,0,1,0|1,1,0]=4 2664 B13R1.717 CCC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747405 [0,1,0,0,1,0|1,1,0]=4 2665 B13R1.717 CCC(=O)COCc1ccc(o1)C 7a_100011232665_100000747405 [0,1,0,0,1,0|1,1,0]=4 2666 B13R1.717 CCC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747405 [0,1,0,0,1,0|1,1,0]=4 2667 B13R1.717 CCC(=O)CSCc1cc(cs1)Br 62a_100000747405_100000746031 [0,1,0,0,1,0|1,1,0]=4 2668 B13R1.717 CCC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747405 [0,1,0,0,1,0|2,0,0]=4 2669 B13R1.717 CCC(=O)CSCc1cc(no1)Br 62a_100000747405_100000709089 [0,1,0,0,1,0|2,0,0]=4 2670 B13R1.717 CCC(=O)CSCc1cc(no1)C 62a_100000707947_100000747405 [0,1,0,0,1,0|2,0,0]=4 2671 B13R1.717 CCC(=O)CSCc1cc(no1)C 62a_100000747405_100000707947 [0,1,0,0,1,0|2,0,0]=4 2672 B13R1.717 CCC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747405 [0,1,0,0,1,0|1,1,0]=4 2673 B13R1.717 CCC(=O)CSCc1ccc(s1)Br 62a_100000747405_100000708592 [0,1,0,0,1,0|1,1,0]=4 2674 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 1458a_100000150175_100000210202 [0,1,0,0,1,0|1,1,0]=4 2675 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747405 [0,1,0,0,1,0|1,1,0]=4 2676 B13R1.717 CCC(=O)CSCc1ccc(s1)Cl 62a_100000747405_100000185097 [0,1,0,0,1,0|1,1,0]=4 2677 B13R1.717 CCC(=O)NCCc1ccc(o1)C 11a_100000739271_100000210414 [0,1,0,0,1,0|2,0,0]=4 2678 B13R1.717 CCC(=O)NCCc1ccc(o1)C 1626a_100000739271_100000210414 [0,1,0,0,1,0|2,0,0]=4 2679 B13R1.717 CCC(=O)NCCc1ccc(o1)C 527a_100000739271_100000210414 [0,1,0,0,1,0|2,0,0]=4 2680 B13R1.717 CNC(=O)CCSc1cc(cs1)C 62a_100000737683_100009876951 [0,1,0,0,1,0|1,1,0]=4 2681 B13R1.717 CNC(=O)CCSc1cc(cs1)C 62a_100009876951_100000737683 [0,1,0,0,1,0|1,1,0]=4 2682 B13R1.717 CNC(=O)CCSc1ccc(s1)Br 62a_100000737683_100010197418 [0,1,0,0,1,0|1,1,0]=4 2683 B13R1.717 CNC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000737683 [0,1,0,0,1,0|1,1,0]=4 2684 B13R1.717 CNC(=O)CCSc1ccc(s1)C 62a_100000031368_100000737683 [0,1,0,0,1,0|1,1,0]=4 2685 B13R1.717 CNC(=O)CCSc1ccc(s1)C 62a_100000737683_100000031368 [0,1,0,0,1,0|1,1,0]=4 2686 B13R1.717 CNC(=O)CNCc1cc(co1)Br 270004a_100000693194_100000747035 [0,1,0,0,1,0|2,0,0]=4 2687 B13R1.717 CNC(=O)CNCc1ccc(o1)Br 207a_100000693194_100000185145 [0,1,0,0,1,0|2,0,0]=4 2688 B13R1.717 CNC(=O)CNCc1ccc(o1)Br 270004a_100000693194_100000185145 [0,1,0,0,1,0|2,0,0]=4 2689 B13R1.717 CNC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000183359 [0,1,0,0,1,0|2,0,0]=4 2690 B13R1.717 CNC(=O)CNCc1ccc(o1)C 207a_100000693194_100000183696 [0,1,0,0,1,0|2,0,0]=4 2691 B13R1.717 CNC(=O)CNCc1ccc(o1)C 270004a_100000693194_100000183696 [0,1,0,0,1,0|2,0,0]=4 2692 B13R1.717 CNC(=O)CNCc1ccc(o1)C 34a_100011194323_100000183359 [0,1,0,0,1,0|2,0,0]=4 2693 B13R1.717 CNC(=O)CNCc1ccc(o1)Cl 207a_100000693194_100000188459 [0,1,0,0,1,0|2,0,0]=4 2694 B13R1.717 CNC(=O)CNCc1ccc(o1)Cl 270004a_100000693194_100000188459 [0,1,0,0,1,0|2,0,0]=4 2695 B13R1.717 CNC(=O)CNCc1ccc(o1)I 207a_100000693194_100000186757 [0,1,0,0,1,0|2,0,0]=4 2696 B13R1.717 CNC(=O)COCc1ccc(o1)Br 34a_100000246276_100000183359 [0,1,0,0,1,0|1,1,0]=4 2697 B13R1.717 CNC(=O)COCc1ccc(o1)Br 7a_100000246276_100000183359 [0,1,0,0,1,0|1,1,0]=4 2698 B13R1.717 CNC(=O)COCc1ccc(o1)C 34a_100011232665_100000183359 [0,1,0,0,1,0|1,1,0]=4 2699 B13R1.717 CNC(=O)COCc1ccc(o1)C 7a_100011232665_100000183359 [0,1,0,0,1,0|1,1,0]=4 2700 B13R1.717 CNC(=O)CSCc1cc(cs1)Br 62a_100000183359_100000746031 [0,1,0,0,1,0|1,1,0]=4 2701 B13R1.717 CNC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000183359 [0,1,0,0,1,0|1,1,0]=4 2702 B13R1.717 CNC(=O)CSCc1cc(no1)Br 62a_100000183359_100000709089 [0,1,0,0,1,0|2,0,0]=4 2703 B13R1.717 CNC(=O)CSCc1cc(no1)Br 62a_100000709089_100000183359 [0,1,0,0,1,0|2,0,0]=4 2704 B13R1.717 CNC(=O)CSCc1cc(no1)C 62a_100000183359_100000707947 [0,1,0,0,1,0|2,0,0]=4 2705 B13R1.717 CNC(=O)CSCc1cc(no1)C 62a_100000707947_100000183359 [0,1,0,0,1,0|2,0,0]=4 2706 B13R1.717 CNC(=O)CSCc1ccc(s1)Br 62a_100000183359_100000708592 [0,1,0,0,1,0|1,1,0]=4 2707 B13R1.717 CNC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000183359 [0,1,0,0,1,0|1,1,0]=4 2708 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 11a_106832991635_100000150175 [0,1,0,0,1,0|1,1,0]=4 2709 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 1626a_100102657272_100000150175 [0,1,0,0,1,0|1,1,0]=4 2710 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 240690a_100102657272_100000150175 [0,1,0,0,1,0|1,1,0]=4 2711 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 527a_100102657272_100000150175 [0,1,0,0,1,0|1,1,0]=4 2712 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 62a_100000183359_100000185097 [0,1,0,0,1,0|1,1,0]=4 2713 B13R1.717 CNC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000183359 [0,1,0,0,1,0|1,1,0]=4 2714 B13R1.717 CNC(=O)NCCc1ccc(o1)C 2708a_100000739271_106832991635 [0,1,0,0,1,0|2,0,0]=4 2715 B13R1.717 CNC(=O)NCCc1ccc(o1)C 2708a_100102657272_100000739271 [0,1,0,0,1,0|2,0,0]=4 2716 B13R1.717 CNC(=O)NCCc1ccc(o1)C 512a_100000739271_100102657272 [0,1,0,0,1,0|2,0,0]=4 2717 B13R1.717 CNC(=O)NCCc1ccc(o1)C 512a_106832991638_100000739271 [0,1,0,0,1,0|2,0,0]=4 2718 B13R1.717 COC(=O)CCCc1nc(no1)C 270196a_100000212224_100000239890 [0,1,0,0,1,0|2,0,0]=4 2719 B13R1.717 COC(=O)CCSc1c[nH]c(n1)C 62a_100000204255_100009814057 [0,1,0,0,1,0|2,0,0]=4 2720 B13R1.717 COC(=O)CCSc1c[nH]c(n1)C 62a_100009814057_100000204255 [0,1,0,0,1,0|2,0,0]=4 2721 B13R1.717 COC(=O)CCSc1cc([nH]n1)C 62a_100000204255_100009819999 [0,1,0,0,1,0|2,0,0]=4 2722 B13R1.717 COC(=O)CCSc1cc([nH]n1)C 62a_100009819999_100000204255 [0,1,0,0,1,0|2,0,0]=4 2723 B13R1.717 COC(=O)CCSc1cc([nH]n1)N 62a_100000204255_100009822546 [0,1,0,0,1,0|2,0,0]=4 2724 B13R1.717 COC(=O)CCSc1cc([nH]n1)N 62a_100009822546_100000204255 [0,1,0,0,1,0|2,0,0]=4 2725 B13R1.717 COC(=O)CCSc1cc(cs1)C 62a_100000204255_100009876951 [0,1,0,0,1,0|0,1,0]=3 2726 B13R1.717 COC(=O)CCSc1cc(cs1)C 62a_100009876951_100000204255 [0,1,0,0,1,0|0,1,0]=3 2727 B13R1.717 COC(=O)CCSc1cc(n[nH]1)Br 62a_100000204255_100160470719 [0,1,0,0,1,0|2,0,0]=4 2728 B13R1.717 COC(=O)CCSc1cc(n[nH]1)Br 62a_100160470719_100000204255 [0,1,0,0,1,0|2,0,0]=4 2729 B13R1.717 COC(=O)CCSc1cc(ns1)C 62a_100000204255_100009815735 [0,1,0,0,1,0|1,1,0]=4 2730 B13R1.717 COC(=O)CCSc1cc(ns1)C 62a_100009815735_100000204255 [0,1,0,0,1,0|1,1,0]=4 2731 B13R1.717 COC(=O)CCSc1cc(on1)C 62a_100000204255_100000716708 [0,1,0,0,1,0|2,0,0]=4 2732 B13R1.717 COC(=O)CCSc1cc(on1)C 62a_100000716708_100000204255 [0,1,0,0,1,0|2,0,0]=4 2733 B13R1.717 COC(=O)CCSc1ccc(s1)Br 62a_100000204255_100010197418 [0,1,0,0,1,0|0,1,0]=3 2734 B13R1.717 COC(=O)CCSc1ccc(s1)Br 62a_100010197418_100000204255 [0,1,0,0,1,0|0,1,0]=3 2735 B13R1.717 COC(=O)CCSc1ccc(s1)C 62a_100000031368_100000204255 [0,1,0,0,1,0|0,1,0]=3 2736 B13R1.717 COC(=O)CCSc1ccc(s1)C 62a_100000204255_100000031368 [0,1,0,0,1,0|0,1,0]=3 2737 B13R1.717 COC(=O)CCSc1ccn(n1)C 62a_100000204255_100000752436 [0,1,0,0,1,0|2,0,0]=4 2738 B13R1.717 COC(=O)CCSc1ccn(n1)C 62a_100000752436_100000204255 [0,1,0,0,1,0|2,0,0]=4 2739 B13R1.717 COC(=O)CCSc1cn(cn1)C 62a_100000040308_100000204255 [0,1,0,0,1,0|2,0,0]=4 2740 B13R1.717 COC(=O)CCSc1cn(cn1)C 62a_100000204255_100000040308 [0,1,0,0,1,0|2,0,0]=4 2741 B13R1.717 COC(=O)CCSc1cnc(s1)Br 62a_100000204255_100012357534 [0,1,0,0,1,0|1,1,0]=4 2742 B13R1.717 COC(=O)CCSc1cnc(s1)Br 62a_100012357534_100000204255 [0,1,0,0,1,0|1,1,0]=4 2743 B13R1.717 COC(=O)CCSc1cnc(s1)C 62a_100000204255_100000764884 [0,1,0,0,1,0|1,1,0]=4 2744 B13R1.717 COC(=O)CCSc1cnc(s1)C 62a_100000764884_100000204255 [0,1,0,0,1,0|1,1,0]=4 2745 B13R1.717 COC(=O)CCSc1cnc(s1)N 62a_100000204255_100000718969 [0,1,0,0,1,0|1,1,0]=4 2746 B13R1.717 COC(=O)CCSc1cnc(s1)N 62a_100000718969_100000204255 [0,1,0,0,1,0|1,1,0]=4 2747 B13R1.717 COC(=O)CCSc1csc(c1)C 62a_100000204255_100000759034 [0,1,0,0,1,0|2,0,0]=4 2748 B13R1.717 COC(=O)CCSc1csc(c1)C 62a_100000759034_100000204255 [0,1,0,0,1,0|2,0,0]=4 2749 B13R1.717 COC(=O)CCSc1csc(n1)C 62a_100000204255_100011934587 [0,1,0,0,1,0|2,0,0]=4 2750 B13R1.717 COC(=O)CCSc1csc(n1)C 62a_100011934587_100000204255 [0,1,0,0,1,0|2,0,0]=4 2751 B13R1.717 COC(=O)CCSc1csc(n1)N 62a_100000204255_100011998049 [0,1,0,0,1,0|2,0,0]=4 2752 B13R1.717 COC(=O)CCSc1csc(n1)N 62a_100011998049_100000204255 [0,1,0,0,1,0|2,0,0]=4 2753 B13R1.717 COC(=O)CCSc1nc(c[nH]1)C 62a_100000204255_100161115468 [0,1,0,0,1,0|2,0,0]=4 2754 B13R1.717 COC(=O)CCSc1nc(c[nH]1)C 62a_100161115468_100000204255 [0,1,0,0,1,0|2,0,0]=4 2755 B13R1.717 COC(=O)CCSc1nc(cs1)Br 62a_100000204255_200016082925 [0,1,0,0,1,0|1,1,0]=4 2756 B13R1.717 COC(=O)CCSc1nc(cs1)Br 62a_200016082925_100000204255 [0,1,0,0,1,0|1,1,0]=4 2757 B13R1.717 COC(=O)CCSc1nc(cs1)C 62a_100000204255_100011291629 [0,1,0,0,1,0|1,1,0]=4 2758 B13R1.717 COC(=O)CCSc1nc(cs1)C 62a_100011291629_100000204255 [0,1,0,0,1,0|1,1,0]=4 2759 B13R1.717 COC(=O)CCSc1nc(cs1)N 62a_100000204255_200015188442 [0,1,0,0,1,0|1,1,0]=4 2760 B13R1.717 COC(=O)CCSc1nc(cs1)N 62a_200015188442_100000204255 [0,1,0,0,1,0|1,1,0]=4 2761 B13R1.717 COC(=O)CCSc1ncc(s1)C 62a_100000204255_100000690809 [0,1,0,0,1,0|1,1,0]=4 2762 B13R1.717 COC(=O)CCSc1ncc(s1)C 62a_100000690809_100000204255 [0,1,0,0,1,0|1,1,0]=4 2763 B13R1.717 COC(=O)CCSc1nnc(o1)C 62a_100000204255_100000708914 [0,1,0,0,1,0|2,0,0]=4 2764 B13R1.717 COC(=O)CNCc1cc(cs1)Br 2230a_100000741024_100000747449 [0,1,0,0,1,0|1,1,0]=4 2765 B13R1.717 COC(=O)CNCc1cc(cs1)Br 34a_100000741024_100000747449 [0,1,0,0,1,0|1,1,0]=4 2766 B13R1.717 COC(=O)CNCc1cc(cs1)C 2230a_100015204214_100000747449 [0,1,0,0,1,0|1,1,0]=4 2767 B13R1.717 COC(=O)CNCc1cc(cs1)C 34a_100015204214_100000747449 [0,1,0,0,1,0|1,1,0]=4 2768 B13R1.717 COC(=O)CNCc1cc(no1)Br 2230a_100015193020_100000747449 [0,1,0,0,1,0|2,0,0]=4 2769 B13R1.717 COC(=O)CNCc1cc(no1)Br 34a_100015193020_100000747449 [0,1,0,0,1,0|2,0,0]=4 2770 B13R1.717 COC(=O)CNCc1cc(no1)C 2230a_100000745748_100000747449 [0,1,0,0,1,0|2,0,0]=4 2771 B13R1.717 COC(=O)CNCc1cc(no1)C 34a_100000745748_100000747449 [0,1,0,0,1,0|2,0,0]=4 2772 B13R1.717 COC(=O)CNCc1ccc(o1)Br 34a_100000708654_100000747449 [0,1,0,0,1,0|1,0,0]=3 2773 B13R1.717 COC(=O)CNCc1ccc(o1)C 34a_100011194323_100000747449 [0,1,0,0,1,0|1,0,0]=3 2774 B13R1.717 COC(=O)CNCc1ccc(s1)C 2230a_100000238518_100000747449 [0,1,0,0,1,0|1,1,0]=4 2775 B13R1.717 COC(=O)CNCc1ccc(s1)Cl 2230a_100000737310_100000747449 [0,1,0,0,1,0|1,1,0]=4 2776 B13R1.717 COC(=O)CNCc1ncc(o1)C 2230a_100138411809_100000747449 [0,1,0,0,1,0|2,0,0]=4 2777 B13R1.717 COC(=O)CNCc1ncc(o1)C 34a_100138411809_100000747449 [0,1,0,0,1,0|2,0,0]=4 2778 B13R1.717 COC(=O)COCc1cc(cs1)Br 34a_100000238369_100000747449 [0,1,0,0,1,0|0,2,0]=4 2779 B13R1.717 COC(=O)COCc1cc(cs1)Br 7a_100000238369_100000747449 [0,1,0,0,1,0|0,2,0]=4 2780 B13R1.717 COC(=O)COCc1cc(cs1)C 34a_200000068372_100000747449 [0,1,0,0,1,0|0,2,0]=4 2781 B13R1.717 COC(=O)COCc1cc(cs1)C 7a_200000068372_100000747449 [0,1,0,0,1,0|0,2,0]=4 2782 B13R1.717 COC(=O)COCc1cc(no1)Br 34a_100009816691_100000747449 [0,1,0,0,1,0|1,1,0]=4 2783 B13R1.717 COC(=O)COCc1cc(no1)C 34a_100000684692_100000747449 [0,1,0,0,1,0|1,1,0]=4 2784 B13R1.717 COC(=O)COCc1ccc(o1)Br 34a_100000246276_100000747449 [0,1,0,0,1,0|0,1,0]=3 2785 B13R1.717 COC(=O)COCc1ccc(o1)Br 7a_100000246276_100000747449 [0,1,0,0,1,0|0,1,0]=3 2786 B13R1.717 COC(=O)COCc1ccc(o1)C 34a_100011232665_100000747449 [0,1,0,0,1,0|0,1,0]=3 2787 B13R1.717 COC(=O)COCc1ccc(o1)C 7a_100011232665_100000747449 [0,1,0,0,1,0|0,1,0]=3 2788 B13R1.717 COC(=O)COCc1ccc(s1)C 34a_100000238367_100000747449 [0,1,0,0,1,0|0,2,0]=4 2789 B13R1.717 COC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747449 [0,1,0,0,1,0|2,0,0]=4 2790 B13R1.717 COC(=O)CSCC1=CC(=O)OC1 62a_100000747449_100000716558 [0,1,0,0,1,0|2,0,0]=4 2791 B13R1.717 COC(=O)CSCc1cc(cs1)Br 62a_100000746031_100000747449 [0,1,0,0,1,0|0,1,0]=3 2792 B13R1.717 COC(=O)CSCc1cc(cs1)Br 62a_100000747449_100000746031 [0,1,0,0,1,0|0,1,0]=3 2793 B13R1.717 COC(=O)CSCc1cc(no1)Br 62a_100000709089_100000747449 [0,1,0,0,1,0|1,0,0]=3 2794 B13R1.717 COC(=O)CSCc1cc(no1)Br 62a_100000747449_100000709089 [0,1,0,0,1,0|1,0,0]=3 2795 B13R1.717 COC(=O)CSCc1cc(no1)C 62a_100000707947_100000747449 [0,1,0,0,1,0|1,0,0]=3 2796 B13R1.717 COC(=O)CSCc1cc(no1)C 62a_100000747449_100000707947 [0,1,0,0,1,0|1,0,0]=3 2797 B13R1.717 COC(=O)CSCc1cc(on1)C 62a_100000199038_100000747449 [0,1,0,0,1,0|2,0,0]=4 2798 B13R1.717 COC(=O)CSCc1cc(on1)C 62a_100000747449_100000199038 [0,1,0,0,1,0|2,0,0]=4 2799 B13R1.717 COC(=O)CSCc1ccc(s1)Br 62a_100000708592_100000747449 [0,1,0,0,1,0|0,1,0]=3 2800 B13R1.717 COC(=O)CSCc1ccc(s1)Br 62a_100000747449_100000708592 [0,1,0,0,1,0|0,1,0]=3 2801 B13R1.717 COC(=O)CSCc1ccc(s1)Cl 62a_100000185097_100000747449 [0,1,0,0,1,0|0,1,0]=3 2802 B13R1.717 COC(=O)CSCc1ccc(s1)Cl 62a_100000747449_100000185097 [0,1,0,0,1,0|0,1,0]=3 2803 B13R1.717 COC(=O)CSCc1ccn(n1)C 62a_100000726502_100000747449 [0,1,0,0,1,0|2,0,0]=4 2804 B13R1.717 COC(=O)CSCc1ccn(n1)C 62a_100000747449_100000726502 [0,1,0,0,1,0|2,0,0]=4 2805 B13R1.717 COC(=O)CSCc1cn(cn1)C 62a_100000717665_100000747449 [0,1,0,0,1,0|2,0,0]=4 2806 B13R1.717 COC(=O)CSCc1cn(cn1)C 62a_100000747449_100000717665 [0,1,0,0,1,0|2,0,0]=4 2807 B13R1.717 COC(=O)CSCc1cnc(s1)Br 62a_100000717027_100000747449 [0,1,0,0,1,0|1,1,0]=4 2808 B13R1.717 COC(=O)CSCc1cnc(s1)Br 62a_100000747449_100000717027 [0,1,0,0,1,0|1,1,0]=4 2809 B13R1.717 COC(=O)CSCc1cnc(s1)C 62a_100000747449_100020635045 [0,1,0,0,1,0|1,1,0]=4 2810 B13R1.717 COC(=O)CSCc1cnc(s1)C 62a_100020635045_100000747449 [0,1,0,0,1,0|1,1,0]=4 2811 B13R1.717 COC(=O)CSCc1cnc(s1)Cl 62a_100000058068_100000747449 [0,1,0,0,1,0|1,1,0]=4 2812 B13R1.717 COC(=O)CSCc1cnc(s1)Cl 62a_100000747449_100000058068 [0,1,0,0,1,0|1,1,0]=4 2813 B13R1.717 COC(=O)CSCc1csc(n1)C 62a_100000747449_100015186478 [0,1,0,0,1,0|2,0,0]=4 2814 B13R1.717 COC(=O)CSCc1csc(n1)C 62a_100015186478_100000747449 [0,1,0,0,1,0|2,0,0]=4 2815 B13R1.717 COC(=O)CSCc1csc(n1)Cl 62a_100000024076_100000747449 [0,1,0,0,1,0|2,0,0]=4 2816 B13R1.717 COC(=O)CSCc1csc(n1)Cl 62a_100000747449_100000024076 [0,1,0,0,1,0|2,0,0]=4 2817 B13R1.717 COC(=O)CSCc1nc(no1)C 270196a_100000212224_100000191316 [0,1,0,0,1,0|2,0,0]=4 2818 B13R1.717 COC(=O)CSCc1nc(no1)C 62a_100000735555_100000747449 [0,1,0,0,1,0|2,0,0]=4 2819 B13R1.717 COC(=O)CSCc1nc(no1)C 62a_100000747449_100000735555 [0,1,0,0,1,0|2,0,0]=4 2820 B13R1.717 COC(=O)CSCc1nnc(o1)C 62a_100000181450_100000747449 [0,1,0,0,1,0|2,0,0]=4 2821 B13R1.717 COC(=O)CSCc1nnc(o1)C 62a_100000747449_100000181450 [0,1,0,0,1,0|2,0,0]=4 2822 B13R1.717 COC(=O)OCSc1cc(cs1)C 62a_100009876951_100000139417 [0,1,0,0,1,0|1,1,0]=4 2823 B13R1.717 COC(=O)OCSc1ccc(s1)Br 62a_100010197418_100000139417 [0,1,0,0,1,0|1,1,0]=4 2824 B13R1.717 COC(=O)OCSc1ccc(s1)C 62a_100000031368_100000139417 [0,1,0,0,1,0|1,1,0]=4 2825 B15R1.26 CCC(=O)CCSCc1ccc(cc1)C 1458a_200000173737_100000210202 [0,1,0,0,0,1|2,0,0]=4 2826 B15R1.26 CNC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000737683 [0,1,0,0,0,1|2,0,0]=4 2827 B15R1.26 CNC(=O)CCSCc1ccc(cc1)Br 62a_100000737683_100000189115 [0,1,0,0,0,1|2,0,0]=4 2828 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C 11a_106832991635_200000173737 [0,1,0,0,0,1|2,0,0]=4 2829 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C 1626a_100102657272_200000173737 [0,1,0,0,0,1|2,0,0]=4 2830 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C 240690a_100102657272_200000173737 [0,1,0,0,0,1|2,0,0]=4 2831 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C 527a_100102657272_200000173737 [0,1,0,0,0,1|2,0,0]=4 2832 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C 62a_100000210814_100000737683 [0,1,0,0,0,1|2,0,0]=4 2833 B15R1.26 CNC(=O)CCSCc1ccc(cc1)C 62a_100000737683_100000210814 [0,1,0,0,0,1|2,0,0]=4 2834 B15R1.26 CNC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000737683 [0,1,0,0,0,1|2,0,0]=4 2835 B15R1.26 CNC(=O)CCSCc1ccc(cc1)Cl 62a_100000737683_100000187161 [0,1,0,0,0,1|2,0,0]=4 2836 B15R1.26 CNC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000737683 [0,1,0,0,0,1|2,0,0]=4 2837 B15R1.26 CNC(=O)CCSCc1ccc(cc1)F 62a_100000737683_100000187164 [0,1,0,0,0,1|2,0,0]=4 2838 B15R1.26 CNC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000737683 [0,1,0,0,0,1|2,0,0]=4 2839 B15R1.26 CNC(=O)CCSCc1ccc(cc1)I 62a_100000737683_100000189116 [0,1,0,0,0,1|2,0,0]=4 2840 B15R1.26 CNC(=O)CCSCc1ccc(cn1)Br 62a_100000702658_100000737683 [0,1,0,0,0,1|2,0,0]=4 2841 B15R1.26 CNC(=O)CCSCc1ccc(cn1)Br 62a_100000737683_100000702658 [0,1,0,0,0,1|2,0,0]=4 2842 B15R1.26 CNC(=O)CCSCc1ccc(cn1)C 62a_100000691093_100000737683 [0,1,0,0,0,1|2,0,0]=4 2843 B15R1.26 CNC(=O)CCSCc1ccc(cn1)C 62a_100000737683_100000691093 [0,1,0,0,0,1|2,0,0]=4 2844 B15R1.26 CNC(=O)CCSCc1ccc(cn1)Cl 62a_100000737683_100000697101 [0,1,0,0,0,1|2,0,0]=4 2845 B15R1.26 CNC(=O)CCSCc1ccc(cn1)Cl 62a_100012066911_100000737683 [0,1,0,0,0,1|2,0,0]=4 2846 B15R1.26 CNC(=O)CCSCc1ccc(cn1)F 62a_100000703193_100000737683 [0,1,0,0,0,1|2,0,0]=4 2847 B15R1.26 CNC(=O)CCSCc1ccc(cn1)F 62a_100000737683_100000703193 [0,1,0,0,0,1|2,0,0]=4 2848 B15R1.26 CNC(=O)CCSCc1ccc(nc1)Br 62a_100000737683_100009831999 [0,1,0,0,0,1|2,0,0]=4 2849 B15R1.26 CNC(=O)CCSCc1ccc(nc1)Br 62a_100009831999_100000737683 [0,1,0,0,0,1|2,0,0]=4 2850 B15R1.26 CNC(=O)CCSCc1ccc(nc1)C 62a_100000737683_100016987292 [0,1,0,0,0,1|2,0,0]=4 2851 B15R1.26 CNC(=O)CCSCc1ccc(nc1)C 62a_100016987292_100000737683 [0,1,0,0,0,1|2,0,0]=4 2852 B15R1.26 CNC(=O)CCSCc1ccc(nc1)Cl 62a_100000735431_100000737683 [0,1,0,0,0,1|2,0,0]=4 2853 B15R1.26 CNC(=O)CCSCc1ccc(nc1)Cl 62a_100000737683_100000735431 [0,1,0,0,0,1|2,0,0]=4 2854 B15R1.26 CNC(=O)CCSCc1ccc(nc1)F 62a_100000737683_100000099788 [0,1,0,0,0,1|2,0,0]=4 2855 B15R1.26 CNC(=O)CCSCc1ccc(nc1)F 62a_100009820150_100000737683 [0,1,0,0,0,1|2,0,0]=4 2856 B15R1.26 CNC(=O)CCSCc1ccc(nn1)Cl 62a_100000737683_100016992710 [0,1,0,0,0,1|2,0,0]=4 2857 B15R1.26 CNC(=O)CCSCc1ccc(nn1)Cl 62a_100016992710_100000737683 [0,1,0,0,0,1|2,0,0]=4 2858 B15R1.26 CNC(=O)CCSCc1cnc(cn1)C 62a_100000737683_100000752025 [0,1,0,0,0,1|2,0,0]=4 2859 B15R1.26 CNC(=O)CCSCc1cnc(cn1)C 62a_100000752025_100000737683 [0,1,0,0,0,1|2,0,0]=4 2860 B15R1.26 CNC(=O)CCSCc1ncc(cn1)Br 62a_100000737683_100010064664 [0,1,0,0,0,1|2,0,0]=4 2861 B15R1.26 CNC(=O)CCSCc1ncc(cn1)Br 62a_100010064664_100000737683 [0,1,0,0,0,1|2,0,0]=4 2862 B15R1.26 CNC(=O)CCSCc1ncc(cn1)C 62a_100000685645_100000737683 [0,1,0,0,0,1|2,0,0]=4 2863 B15R1.26 CNC(=O)CCSCc1ncc(cn1)C 62a_100000737683_100000685645 [0,1,0,0,0,1|2,0,0]=4 2864 B15R1.26 COC(=O)CCNCc1ccc(cc1)Br 2230a_100000174875_100000204255 [0,1,0,0,0,1|2,0,0]=4 2865 B15R1.26 COC(=O)CCNCc1ccc(cc1)Br 34a_100000174875_100000742370 [0,1,0,0,0,1|2,0,0]=4 2866 B15R1.26 COC(=O)CCNCc1ccc(cc1)C 2230a_100000174908_100000204255 [0,1,0,0,0,1|2,0,0]=4 2867 B15R1.26 COC(=O)CCNCc1ccc(cc1)C 34a_100000174908_100000742370 [0,1,0,0,0,1|2,0,0]=4 2868 B15R1.26 COC(=O)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000204255 [0,1,0,0,0,1|2,0,0]=4 2869 B15R1.26 COC(=O)CCNCc1ccc(cc1)Cl 34a_100000174871_100000742370 [0,1,0,0,0,1|2,0,0]=4 2870 B15R1.26 COC(=O)CCNCc1ccc(cc1)F 2230a_100000174882_100000204255 [0,1,0,0,0,1|2,0,0]=4 2871 B15R1.26 COC(=O)CCNCc1ccc(cc1)F 34a_100000174882_100000742370 [0,1,0,0,0,1|2,0,0]=4 2872 B15R1.26 COC(=O)CCNCc1ccc(cc1)I 2230a_100016989417_100000204255 [0,1,0,0,0,1|2,0,0]=4 2873 B15R1.26 COC(=O)CCNCc1ccc(cc1)I 34a_100016989417_100000742370 [0,1,0,0,0,1|2,0,0]=4 2874 B15R1.26 COC(=O)CCNCc1ccc(cc1)O 34a_100000185549_100000742370 [0,1,0,0,0,1|2,0,0]=4 2875 B15R1.26 COC(=O)CCNCc1ccc(cn1)Br 34a_100015188789_100000742370 [0,1,0,0,0,1|2,0,0]=4 2876 B15R1.26 COC(=O)CCNCc1ccc(cn1)C 34a_100015187455_100000742370 [0,1,0,0,0,1|2,0,0]=4 2877 B15R1.26 COC(=O)CCNCc1ccc(cn1)Cl 34a_100000697193_100000742370 [0,1,0,0,0,1|2,0,0]=4 2878 B15R1.26 COC(=O)CCNCc1ccc(cn1)F 34a_100020620131_100000742370 [0,1,0,0,0,1|2,0,0]=4 2879 B15R1.26 COC(=O)CCNCc1ccc(nc1)Br 2230a_100009817727_100000204255 [0,1,0,0,0,1|2,0,0]=4 2880 B15R1.26 COC(=O)CCNCc1ccc(nc1)Br 34a_100009817727_100000742370 [0,1,0,0,0,1|2,0,0]=4 2881 B15R1.26 COC(=O)CCNCc1ccc(nc1)C 34a_100000740942_100000742370 [0,1,0,0,0,1|2,0,0]=4 2882 B15R1.26 COC(=O)CCNCc1ccc(nc1)Cl 2230a_100000735879_100000204255 [0,1,0,0,0,1|2,0,0]=4 2883 B15R1.26 COC(=O)CCNCc1ccc(nc1)Cl 34a_100000735879_100000742370 [0,1,0,0,0,1|2,0,0]=4 2884 B15R1.26 COC(=O)CCNCc1ccc(nc1)F 2230a_100000101913_100000204255 [0,1,0,0,0,1|2,0,0]=4 2885 B15R1.26 COC(=O)CCNCc1ccc(nc1)F 34a_100000101913_100000742370 [0,1,0,0,0,1|2,0,0]=4 2886 B15R1.26 COC(=O)CCNCc1ccc(nc1)O 2230a_100000757128_100000204255 [0,1,0,0,0,1|2,0,0]=4 2887 B15R1.26 COC(=O)CCNCc1cnc(cn1)C 34a_100132314150_100000742370 [0,1,0,0,0,1|2,0,0]=4 2888 B15R1.26 COC(=O)CCOCc1cc[n+](cc1)C 34a_100009831711_100000742370 [0,1,0,0,0,1|1,1,0]=4 2889 B15R1.26 COC(=O)CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000742370 [0,1,0,0,0,1|1,1,0]=4 2890 B15R1.26 COC(=O)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000204255 [0,1,0,0,0,1|1,1,0]=4 2891 B15R1.26 COC(=O)CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000742370 [0,1,0,0,0,1|1,1,0]=4 2892 B15R1.26 COC(=O)CCOCc1ccc(cc1)Br 34a_100000695286_100000742370 [0,1,0,0,0,1|1,1,0]=4 2893 B15R1.26 COC(=O)CCOCc1ccc(cc1)C 34a_100011215236_100000742370 [0,1,0,0,0,1|1,1,0]=4 2894 B15R1.26 COC(=O)CCOCc1ccc(cc1)C 7a_100011215236_100000204255 [0,1,0,0,0,1|1,1,0]=4 2895 B15R1.26 COC(=O)CCOCc1ccc(cc1)Cl 34a_100000211118_100000742370 [0,1,0,0,0,1|1,1,0]=4 2896 B15R1.26 COC(=O)CCOCc1ccc(cc1)Cl 7a_100000211118_100000204255 [0,1,0,0,0,1|1,1,0]=4 2897 B15R1.26 COC(=O)CCOCc1ccc(cc1)F 34a_100000210977_100000742370 [0,1,0,0,0,1|1,1,0]=4 2898 B15R1.26 COC(=O)CCOCc1ccc(cc1)F 7a_100000210977_100000204255 [0,1,0,0,0,1|1,1,0]=4 2899 B15R1.26 COC(=O)CCOCc1ccc(cc1)I 34a_100000690907_100000742370 [0,1,0,0,0,1|1,1,0]=4 2900 B15R1.26 COC(=O)CCOCc1ccc(cc1)I 7a_100000690907_100000204255 [0,1,0,0,0,1|1,1,0]=4 2901 B15R1.26 COC(=O)CCOCc1ccc(cc1)N 34a_100011215238_100000742370 [0,1,0,0,0,1|1,1,0]=4 2902 B15R1.26 COC(=O)CCOCc1ccc(cn1)Br 34a_100000754261_100000742370 [0,1,0,0,0,1|1,1,0]=4 2903 B15R1.26 COC(=O)CCOCc1ccc(cn1)C 34a_100012001401_100000742370 [0,1,0,0,0,1|1,1,0]=4 2904 B15R1.26 COC(=O)CCOCc1ccc(cn1)Cl 34a_100000703999_100000742370 [0,1,0,0,0,1|1,1,0]=4 2905 B15R1.26 COC(=O)CCOCc1ccc(cn1)F 34a_100011999454_100000742370 [0,1,0,0,0,1|1,1,0]=4 2906 B15R1.26 COC(=O)CCOCc1ccc(cn1)N 34a_100011998161_100000742370 [0,1,0,0,0,1|1,1,0]=4 2907 B15R1.26 COC(=O)CCOCc1ccc(nc1)Br 34a_100009816760_100000742370 [0,1,0,0,0,1|1,1,0]=4 2908 B15R1.26 COC(=O)CCOCc1ccc(nc1)Br 7a_100009816760_100000204255 [0,1,0,0,0,1|1,1,0]=4 2909 B15R1.26 COC(=O)CCOCc1ccc(nc1)C 34a_100011248133_100000742370 [0,1,0,0,0,1|1,1,0]=4 2910 B15R1.26 COC(=O)CCOCc1ccc(nc1)Cl 34a_100000755211_100000742370 [0,1,0,0,0,1|1,1,0]=4 2911 B15R1.26 COC(=O)CCOCc1ccc(nc1)Cl 7a_100000755211_100000204255 [0,1,0,0,0,1|1,1,0]=4 2912 B15R1.26 COC(=O)CCOCc1ccc(nc1)F 34a_100000079959_100000742370 [0,1,0,0,0,1|1,1,0]=4 2913 B15R1.26 COC(=O)CCOCc1ccc(nc1)N 34a_100000704267_100000742370 [0,1,0,0,0,1|1,1,0]=4 2914 B15R1.26 COC(=O)CCOCc1cnc(cn1)C 34a_100011273949_100000742370 [0,1,0,0,0,1|1,1,0]=4 2915 B15R1.26 COC(=O)CCOCc1cnc(cn1)Cl 34a_100012002382_100000742370 [0,1,0,0,0,1|1,1,0]=4 2916 B15R1.26 COC(=O)CCSCc1ccc(cc1)Br 62a_100000189115_100000204255 [0,1,0,0,0,1|1,0,0]=3 2917 B15R1.26 COC(=O)CCSCc1ccc(cc1)Br 62a_100000204255_100000189115 [0,1,0,0,0,1|1,0,0]=3 2918 B15R1.26 COC(=O)CCSCc1ccc(cc1)C 62a_100000204255_100000210814 [0,1,0,0,0,1|1,0,0]=3 2919 B15R1.26 COC(=O)CCSCc1ccc(cc1)C 62a_100000210814_100000204255 [0,1,0,0,0,1|1,0,0]=3 2920 B15R1.26 COC(=O)CCSCc1ccc(cc1)Cl 62a_100000187161_100000204255 [0,1,0,0,0,1|1,0,0]=3 2921 B15R1.26 COC(=O)CCSCc1ccc(cc1)Cl 62a_100000204255_100000187161 [0,1,0,0,0,1|1,0,0]=3 2922 B15R1.26 COC(=O)CCSCc1ccc(cc1)F 62a_100000198546_100000204255 [0,1,0,0,0,1|1,0,0]=3 2923 B15R1.26 COC(=O)CCSCc1ccc(cc1)F 62a_100000204255_100000187164 [0,1,0,0,0,1|1,0,0]=3 2924 B15R1.26 COC(=O)CCSCc1ccc(cc1)I 62a_100000189116_100000204255 [0,1,0,0,0,1|1,0,0]=3 2925 B15R1.26 COC(=O)CCSCc1ccc(cc1)I 62a_100000204255_100000189116 [0,1,0,0,0,1|1,0,0]=3 2926 B15R1.26 COC(=O)CCSCc1ccc(cn1)Br 62a_100000204255_100000702658 [0,1,0,0,0,1|1,0,0]=3 2927 B15R1.26 COC(=O)CCSCc1ccc(cn1)Br 62a_100000702658_100000204255 [0,1,0,0,0,1|1,0,0]=3 2928 B15R1.26 COC(=O)CCSCc1ccc(cn1)C 62a_100000204255_100000691093 [0,1,0,0,0,1|1,0,0]=3 2929 B15R1.26 COC(=O)CCSCc1ccc(cn1)C 62a_100000691093_100000204255 [0,1,0,0,0,1|1,0,0]=3 2930 B15R1.26 COC(=O)CCSCc1ccc(cn1)Cl 62a_100000204255_100000697101 [0,1,0,0,0,1|1,0,0]=3 2931 B15R1.26 COC(=O)CCSCc1ccc(cn1)Cl 62a_100012066911_100000204255 [0,1,0,0,0,1|1,0,0]=3 2932 B15R1.26 COC(=O)CCSCc1ccc(cn1)F 62a_100000204255_100000703193 [0,1,0,0,0,1|1,0,0]=3 2933 B15R1.26 COC(=O)CCSCc1ccc(cn1)F 62a_100000703193_100000204255 [0,1,0,0,0,1|1,0,0]=3 2934 B15R1.26 COC(=O)CCSCc1ccc(nc1)Br 62a_100000204255_100009831999 [0,1,0,0,0,1|1,0,0]=3 2935 B15R1.26 COC(=O)CCSCc1ccc(nc1)Br 62a_100009831999_100000204255 [0,1,0,0,0,1|1,0,0]=3 2936 B15R1.26 COC(=O)CCSCc1ccc(nc1)C 62a_100000204255_100016987292 [0,1,0,0,0,1|1,0,0]=3 2937 B15R1.26 COC(=O)CCSCc1ccc(nc1)C 62a_100016987292_100000204255 [0,1,0,0,0,1|1,0,0]=3 2938 B15R1.26 COC(=O)CCSCc1ccc(nc1)Cl 62a_100000204255_100000735431 [0,1,0,0,0,1|1,0,0]=3 2939 B15R1.26 COC(=O)CCSCc1ccc(nc1)Cl 62a_100000735431_100000204255 [0,1,0,0,0,1|1,0,0]=3 2940 B15R1.26 COC(=O)CCSCc1ccc(nc1)F 62a_100000204255_100000099788 [0,1,0,0,0,1|1,0,0]=3 2941 B15R1.26 COC(=O)CCSCc1ccc(nc1)F 62a_100009820150_100000204255 [0,1,0,0,0,1|1,0,0]=3 2942 B15R1.26 COC(=O)CCSCc1ccc(nn1)Cl 62a_100000204255_100016992710 [0,1,0,0,0,1|1,0,0]=3 2943 B15R1.26 COC(=O)CCSCc1ccc(nn1)Cl 62a_100016992710_100000204255 [0,1,0,0,0,1|1,0,0]=3 2944 B15R1.26 COC(=O)CCSCc1cnc(cn1)C 62a_100000204255_100000752025 [0,1,0,0,0,1|1,0,0]=3 2945 B15R1.26 COC(=O)CCSCc1cnc(cn1)C 62a_100000752025_100000204255 [0,1,0,0,0,1|1,0,0]=3 2946 B15R1.26 COC(=O)CCSCc1ncc(cn1)Br 62a_100000204255_100010064664 [0,1,0,0,0,1|1,0,0]=3 2947 B15R1.26 COC(=O)CCSCc1ncc(cn1)Br 62a_100010064664_100000204255 [0,1,0,0,0,1|1,0,0]=3 2948 B15R1.26 COC(=O)CCSCc1ncc(cn1)C 62a_100000204255_100000685645 [0,1,0,0,0,1|1,0,0]=3 2949 B15R1.26 COC(=O)CCSCc1ncc(cn1)C 62a_100000685645_100000204255 [0,1,0,0,0,1|1,0,0]=3 2950 B15R1.26 COC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000139417 [0,1,0,0,0,1|2,0,0]=4 2951 B15R1.26 COC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000139417 [0,1,0,0,0,1|2,0,0]=4 2952 B15R1.26 COC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000139417 [0,1,0,0,0,1|2,0,0]=4 2953 B15R1.26 COC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000139417 [0,1,0,0,0,1|2,0,0]=4 2954 B15R1.26 COC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000139417 [0,1,0,0,0,1|2,0,0]=4 2955 B15R1.26 COC(=O)OCSCc1ccc(cn1)Br 62a_100000702658_100000139417 [0,1,0,0,0,1|2,0,0]=4 2956 B15R1.26 COC(=O)OCSCc1ccc(cn1)C 62a_100000691093_100000139417 [0,1,0,0,0,1|2,0,0]=4 2957 B15R1.26 COC(=O)OCSCc1ccc(cn1)Cl 62a_100012066911_100000139417 [0,1,0,0,0,1|2,0,0]=4 2958 B15R1.26 COC(=O)OCSCc1ccc(cn1)F 62a_100000703193_100000139417 [0,1,0,0,0,1|2,0,0]=4 2959 B15R1.26 COC(=O)OCSCc1ccc(nc1)Br 62a_100009831999_100000139417 [0,1,0,0,0,1|2,0,0]=4 2960 B15R1.26 COC(=O)OCSCc1ccc(nc1)C 62a_100016987292_100000139417 [0,1,0,0,0,1|2,0,0]=4 2961 B15R1.26 COC(=O)OCSCc1ccc(nc1)Cl 62a_100000735431_100000139417 [0,1,0,0,0,1|2,0,0]=4 2962 B15R1.26 COC(=O)OCSCc1ccc(nc1)F 62a_100009820150_100000139417 [0,1,0,0,0,1|2,0,0]=4 2963 B15R1.26 COC(=O)OCSCc1ccc(nn1)Cl 62a_100016992710_100000139417 [0,1,0,0,0,1|2,0,0]=4 2964 B15R1.26 COC(=O)OCSCc1cnc(cn1)C 62a_100000752025_100000139417 [0,1,0,0,0,1|2,0,0]=4 2965 B15R1.26 COC(=O)OCSCc1ncc(cn1)Br 62a_100010064664_100000139417 [0,1,0,0,0,1|2,0,0]=4 2966 B15R1.26 COC(=O)OCSCc1ncc(cn1)C 62a_100000685645_100000139417 [0,1,0,0,0,1|2,0,0]=4 2967 B15R1.741 COC(=O)CC(C)NCc1ccccc1 2230a_100015324214_100009817358 [0,1,0,0,0,1|2,0,0]=4 2968 B15R1.741 COC(=O)CC(C)NCc1ccccc1 34a_100015324214_100009817358 [0,1,0,0,0,1|2,0,0]=4 2969 B15R1.741 COC(=O)CC(C)NCc1cccnn1 2230a_100159270163_100009817358 [0,1,0,0,0,1|2,0,0]=4 2970 B15R1.741 COC(=O)CC(C)OCc1ccccc1 34a_100000210790_100009817358 [0,1,0,0,0,1|1,1,0]=4 2971 B15R1.741 COC(=O)CC(C)OCc1ccccc1 7a_100000210790_100009817358 [0,1,0,0,0,1|1,1,0]=4 2972 B15R1.741 COC(=O)CC(C)SCc1ccccc1 62a_100000211182_100009817358 [0,1,0,0,0,1|1,0,0]=3 2973 B15R1.741 COC(=O)CC(C)SCc1ccccc1 62a_100009817358_100015291786 [0,1,0,0,0,1|1,0,0]=3 2974 B15R1.741 COC(=O)CC(C)SCc1ccccn1 62a_100000721315_100009817358 [0,1,0,0,0,1|1,0,0]=3 2975 B15R1.741 COC(=O)CC(C)SCc1ccccn1 62a_100009817358_100000721315 [0,1,0,0,0,1|1,0,0]=3 2976 B15R1.741 COC(=O)CC(C)SCc1cccnc1 62a_100000741622_100009817358 [0,1,0,0,0,1|1,0,0]=3 2977 B15R1.741 COC(=O)CC(C)SCc1cccnc1 62a_100009817358_100000741622 [0,1,0,0,0,1|1,0,0]=3 2978 B15R1.741 COC(=O)CC(C)SCc1cccnn1 62a_100009817358_100016990269 [0,1,0,0,0,1|1,0,0]=3 2979 B15R1.741 COC(=O)CC(C)SCc1cccnn1 62a_100016990269_100009817358 [0,1,0,0,0,1|1,0,0]=3 2980 B15R1.741 COC(=O)CC(C)SCc1ccncc1 62a_100009817358_100015193705 [0,1,0,0,0,1|1,0,0]=3 2981 B15R1.741 COC(=O)CC(C)SCc1ccncc1 62a_100015193705_100009817358 [0,1,0,0,0,1|1,0,0]=3 2982 B15R1.741 COC(=O)CC(C)SCc1cnccn1 62a_100009817358_100016995436 [0,1,0,0,0,1|1,0,0]=3 2983 B15R1.741 COC(=O)CC(C)SCc1cnccn1 62a_100016995436_100009817358 [0,1,0,0,0,1|1,0,0]=3 2984 B15R1.741 COC(=O)CC(C)SCc1cncnc1 62a_100009817358_100015196519 [0,1,0,0,0,1|2,0,0]=4 2985 B15R1.741 COC(=O)CC(C)SCc1cncnc1 62a_100015196519_100009817358 [0,1,0,0,0,1|2,0,0]=4 2986 B15R1.741 COC(=O)CC(C)SCc1ncccn1 62a_100000703007_100009817358 [0,1,0,0,0,1|1,0,0]=3 2987 B15R1.741 COC(=O)CC(C)SCc1ncccn1 62a_100009817358_100000703007 [0,1,0,0,0,1|1,0,0]=3 2988 B15R1.778 CC#CC(=O)CCSCc1ccccc1 1458a_100000763181_200011297719 [0,1,0,0,0,1|2,0,0]=4 2989 B15R1.778 CC=CC(=O)CCSCc1ccccc1 1458a_100000210699_200011297719 [0,1,0,0,0,1|2,0,0]=4 2990 B15R1.778 CCCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210303 [0,1,0,0,0,1|2,0,0]=4 2991 B15R1.778 CCCC(=O)CCSCc1ccccc1 1458a_100000211992_200011297719 [0,1,0,0,0,1|2,0,0]=4 2992 B15R1.778 CCCC(=O)CCSCc1ccccn1 1458a_100000742633_100000210303 [0,1,0,0,0,1|2,0,0]=4 2993 B15R1.778 CCNC(=O)CCSCc1ccccc1 11a_100015525214_100000173759 [0,1,0,0,0,1|2,0,0]=4 2994 B15R1.778 CCNC(=O)CCSCc1ccccc1 240690a_100015525214_100000173759 [0,1,0,0,0,1|2,0,0]=4 2995 B15R1.778 CCNC(=O)CCSCc1ccccc1 527a_100015525214_100000173759 [0,1,0,0,0,1|2,0,0]=4 2996 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000211182_100000737597 [0,1,0,0,0,1|2,0,0]=4 2997 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000737597_100015291786 [0,1,0,0,0,1|2,0,0]=4 2998 B15R1.778 CCNC(=O)CCSCc1ccccn1 11a_100015525214_100000742633 [0,1,0,0,0,1|2,0,0]=4 2999 B15R1.778 CCNC(=O)CCSCc1ccccn1 240690a_100015525214_100000742633 [0,1,0,0,0,1|2,0,0]=4 3000 B15R1.778 CCNC(=O)CCSCc1ccccn1 62a_100000721315_100000737597 [0,1,0,0,0,1|2,0,0]=4 3001 B15R1.778 CCNC(=O)CCSCc1ccccn1 62a_100000737597_100000721315 [0,1,0,0,0,1|2,0,0]=4 3002 B15R1.778 CCNC(=O)CCSCc1cccnc1 62a_100000737597_100000741622 [0,1,0,0,0,1|2,0,0]=4 3003 B15R1.778 CCNC(=O)CCSCc1cccnc1 62a_100000741622_100000737597 [0,1,0,0,0,1|2,0,0]=4 3004 B15R1.778 CCNC(=O)CCSCc1cccnn1 62a_100000737597_100016990269 [0,1,0,0,0,1|2,0,0]=4 3005 B15R1.778 CCNC(=O)CCSCc1cccnn1 62a_100016990269_100000737597 [0,1,0,0,0,1|2,0,0]=4 3006 B15R1.778 CCNC(=O)CCSCc1ccncc1 62a_100000737597_100015193705 [0,1,0,0,0,1|2,0,0]=4 3007 B15R1.778 CCNC(=O)CCSCc1ccncc1 62a_100015193705_100000737597 [0,1,0,0,0,1|2,0,0]=4 3008 B15R1.778 CCNC(=O)CCSCc1cnccn1 62a_100000737597_100016995436 [0,1,0,0,0,1|2,0,0]=4 3009 B15R1.778 CCNC(=O)CCSCc1cnccn1 62a_100016995436_100000737597 [0,1,0,0,0,1|2,0,0]=4 3010 B15R1.778 CCNC(=O)CCSCc1ncccn1 62a_100000703007_100000737597 [0,1,0,0,0,1|2,0,0]=4 3011 B15R1.778 CCNC(=O)CCSCc1ncccn1 62a_100000737597_100000703007 [0,1,0,0,0,1|2,0,0]=4 3012 B15R1.778 CCOC(=O)CCNCc1ccccc1 2230a_100015324214_100011206558 [0,1,0,0,0,1|2,0,0]=4 3013 B15R1.778 CCOC(=O)CCNCc1ccccc1 34a_100015324214_100000765890 [0,1,0,0,0,1|2,0,0]=4 3014 B15R1.778 CCOC(=O)CCNCc1cccnn1 2230a_100159270163_100011206558 [0,1,0,0,0,1|2,0,0]=4 3015 B15R1.778 CCOC(=O)CCOCc1ccccc1 34a_100000210790_100000765890 [0,1,0,0,0,1|1,1,0]=4 3016 B15R1.778 CCOC(=O)CCOCc1ccccc1 7a_100000210790_100011206558 [0,1,0,0,0,1|1,1,0]=4 3017 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000211182_100000765890 [0,1,0,0,0,1|1,0,0]=3 3018 B15R1.778 CCOC(=O)CCSCc1ccccc1 62a_100000765890_100015291786 [0,1,0,0,0,1|1,0,0]=3 3019 B15R1.778 CCOC(=O)CCSCc1ccccn1 62a_100000721315_100000765890 [0,1,0,0,0,1|1,0,0]=3 3020 B15R1.778 CCOC(=O)CCSCc1ccccn1 62a_100000765890_100000721315 [0,1,0,0,0,1|1,0,0]=3 3021 B15R1.778 CCOC(=O)CCSCc1cccnc1 62a_100000741622_100000765890 [0,1,0,0,0,1|1,0,0]=3 3022 B15R1.778 CCOC(=O)CCSCc1cccnc1 62a_100000765890_100000741622 [0,1,0,0,0,1|1,0,0]=3 3023 B15R1.778 CCOC(=O)CCSCc1cccnn1 62a_100000765890_100016990269 [0,1,0,0,0,1|1,0,0]=3 3024 B15R1.778 CCOC(=O)CCSCc1cccnn1 62a_100016990269_100000765890 [0,1,0,0,0,1|1,0,0]=3 3025 B15R1.778 CCOC(=O)CCSCc1ccncc1 62a_100000765890_100015193705 [0,1,0,0,0,1|1,0,0]=3 3026 B15R1.778 CCOC(=O)CCSCc1ccncc1 62a_100015193705_100000765890 [0,1,0,0,0,1|1,0,0]=3 3027 B15R1.778 CCOC(=O)CCSCc1cnccn1 62a_100000765890_100016995436 [0,1,0,0,0,1|1,0,0]=3 3028 B15R1.778 CCOC(=O)CCSCc1cnccn1 62a_100016995436_100000765890 [0,1,0,0,0,1|1,0,0]=3 3029 B15R1.778 CCOC(=O)CCSCc1cncnc1 62a_100000765890_100015196519 [0,1,0,0,0,1|2,0,0]=4 3030 B15R1.778 CCOC(=O)CCSCc1cncnc1 62a_100015196519_100000765890 [0,1,0,0,0,1|2,0,0]=4 3031 B15R1.778 CCOC(=O)CCSCc1ncccn1 62a_100000703007_100000765890 [0,1,0,0,0,1|1,0,0]=3 3032 B15R1.778 CCOC(=O)CCSCc1ncccn1 62a_100000765890_100000703007 [0,1,0,0,0,1|1,0,0]=3 3033 B15R1.778 CCOC(=O)OCSCc1ccccc1 62a_100000211182_100000075025 [0,1,0,0,0,1|2,0,0]=4 3034 B15R1.778 CCOC(=O)OCSCc1ccccn1 62a_100000721315_100000075025 [0,1,0,0,0,1|2,0,0]=4 3035 B15R1.778 CCOC(=O)OCSCc1cccnc1 62a_100000741622_100000075025 [0,1,0,0,0,1|2,0,0]=4 3036 B15R1.778 CCOC(=O)OCSCc1cccnn1 62a_100016990269_100000075025 [0,1,0,0,0,1|2,0,0]=4 3037 B15R1.778 CCOC(=O)OCSCc1ccncc1 62a_100015193705_100000075025 [0,1,0,0,0,1|2,0,0]=4 3038 B15R1.778 CCOC(=O)OCSCc1cnccn1 62a_100016995436_100000075025 [0,1,0,0,0,1|2,0,0]=4 3039 B15R1.778 CCOC(=O)OCSCc1ncccn1 62a_100000703007_100000075025 [0,1,0,0,0,1|2,0,0]=4 3040 B15R1.778 CNNC(=O)CCSCc1ccccc1 22a_100016993582_100000173759 [0,1,0,0,0,1|2,0,0]=4 3041 B15R1.778 CNNC(=O)CCSCc1ccccn1 22a_100016993582_100000742633 [0,1,0,0,0,1|2,0,0]=4 3042 B15R1.778 COCC(=O)CCCCc1ccccc1 1458a_100000210968_100000701786 [0,1,0,0,0,1|2,0,0]=4 3043 B15R1.778 COCC(=O)CCCCc1ccncc1 1458a_100000210968_100020630000 [0,1,0,0,0,1|2,0,0]=4 3044 B15R1.778 COCC(=O)CCOCc1ccccc1 1458a_100000210968_100000234347 [0,1,0,0,0,1|1,1,0]=4 3045 B15R1.778 COCC(=O)CCSCc1ccccc1 1458a_100000210968_200011297719 [0,1,0,0,0,1|1,0,0]=3 3046 B15R1.778 CSCC(=O)CCSCc1ccccc1 1458a_100000184570_200011297719 [0,1,0,0,0,1|1,1,0]=4 3047 B15R1.778 O=C(CCF)CCSCc1ccccc1 1458a_100000173759_100011217306 [0,1,0,0,0,1|2,0,0]=4 3048 B15R1.778 O=C(CCF)CCSCc1ccccn1 1458a_100000742633_100011217306 [0,1,0,0,0,1|2,0,0]=4 3049 B15R1.778 O=C(CCO)CCSCc1ccccc1 1458a_100000173759_100000211926 [0,1,0,0,0,1|2,0,0]=4 3050 B15R1.778 O=C(CCO)CCSCc1ccccc1 1458a_100011216618_200011297719 [0,1,0,0,0,1|2,0,0]=4 3051 B15R1.778 O=C(CCO)CCSCc1ccccn1 1458a_100000742633_100000211926 [0,1,0,0,0,1|2,0,0]=4 3052 B15R1.942 CNC(=O)CCSCc1cc(ccn1)Br 62a_100000737683_100010173614 [0,1,0,0,0,1|2,0,0]=4 3053 B15R1.942 CNC(=O)CCSCc1cc(ccn1)Br 62a_100010173614_100000737683 [0,1,0,0,0,1|2,0,0]=4 3054 B15R1.942 CNC(=O)CCSCc1cc(ccn1)C 62a_100000718516_100000737683 [0,1,0,0,0,1|2,0,0]=4 3055 B15R1.942 CNC(=O)CCSCc1cc(ccn1)C 62a_100000737683_100000718516 [0,1,0,0,0,1|2,0,0]=4 3056 B15R1.942 CNC(=O)CCSCc1cc(ccn1)Cl 62a_100000737683_100016988179 [0,1,0,0,0,1|2,0,0]=4 3057 B15R1.942 CNC(=O)CCSCc1cc(ccn1)Cl 62a_100016988179_100000737683 [0,1,0,0,0,1|2,0,0]=4 3058 B15R1.942 CNC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000737683 [0,1,0,0,0,1|2,0,0]=4 3059 B15R1.942 CNC(=O)CCSCc1cccc(c1)Br 62a_100000737683_100000211773 [0,1,0,0,0,1|2,0,0]=4 3060 B15R1.942 CNC(=O)CCSCc1cccc(c1)C 62a_100000211840_100000737683 [0,1,0,0,0,1|2,0,0]=4 3061 B15R1.942 CNC(=O)CCSCc1cccc(c1)C 62a_100000737683_100000211840 [0,1,0,0,0,1|2,0,0]=4 3062 B15R1.942 CNC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000737683 [0,1,0,0,0,1|2,0,0]=4 3063 B15R1.942 CNC(=O)CCSCc1cccc(c1)Cl 62a_100000737683_100000187163 [0,1,0,0,0,1|2,0,0]=4 3064 B15R1.942 CNC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000737683 [0,1,0,0,0,1|2,0,0]=4 3065 B15R1.942 CNC(=O)CCSCc1cccc(c1)F 62a_100000737683_100000230114 [0,1,0,0,0,1|2,0,0]=4 3066 B15R1.942 CNC(=O)CCSCc1cccc(c1)I 62a_100000737683_100011218688 [0,1,0,0,0,1|2,0,0]=4 3067 B15R1.942 CNC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000737683 [0,1,0,0,0,1|2,0,0]=4 3068 B15R1.942 CNC(=O)CCSCc1cccc(c1)O 62a_100000737683_100011660834 [0,1,0,0,0,1|2,0,0]=4 3069 B15R1.942 CNC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000737683 [0,1,0,0,0,1|2,0,0]=4 3070 B15R1.942 CNC(=O)CCSCc1cccc(n1)Br 62a_100000737683_100009889011 [0,1,0,0,0,1|2,0,0]=4 3071 B15R1.942 CNC(=O)CCSCc1cccc(n1)Br 62a_100009889011_100000737683 [0,1,0,0,0,1|2,0,0]=4 3072 B15R1.942 CNC(=O)CCSCc1cccc(n1)C 62a_100000737683_100000757606 [0,1,0,0,0,1|2,0,0]=4 3073 B15R1.942 CNC(=O)CCSCc1cccc(n1)C 62a_100000757606_100000737683 [0,1,0,0,0,1|2,0,0]=4 3074 B15R1.942 CNC(=O)CCSCc1cccc(n1)Cl 62a_100000086093_100000737683 [0,1,0,0,0,1|2,0,0]=4 3075 B15R1.942 CNC(=O)CCSCc1cccc(n1)Cl 62a_100000737683_100000086093 [0,1,0,0,0,1|2,0,0]=4 3076 B15R1.942 CNC(=O)CCSCc1cccc(n1)F 62a_100000737683_100009819644 [0,1,0,0,0,1|2,0,0]=4 3077 B15R1.942 CNC(=O)CCSCc1cccc(n1)F 62a_100009819644_100000737683 [0,1,0,0,0,1|2,0,0]=4 3078 B15R1.942 CNC(=O)CCSCc1ccnc(c1)Br 62a_100000737683_100010243470 [0,1,0,0,0,1|2,0,0]=4 3079 B15R1.942 CNC(=O)CCSCc1ccnc(c1)Br 62a_100010254460_100000737683 [0,1,0,0,0,1|2,0,0]=4 3080 B15R1.942 CNC(=O)CCSCc1ccnc(c1)C 62a_100000737683_200020672517 [0,1,0,0,0,1|2,0,0]=4 3081 B15R1.942 CNC(=O)CCSCc1ccnc(c1)C 62a_200020672517_100000737683 [0,1,0,0,0,1|2,0,0]=4 3082 B15R1.942 CNC(=O)CCSCc1ccnc(c1)Cl 62a_100000737683_100000764220 [0,1,0,0,0,1|2,0,0]=4 3083 B15R1.942 CNC(=O)CCSCc1ccnc(c1)Cl 62a_100000764220_100000737683 [0,1,0,0,0,1|2,0,0]=4 3084 B15R1.942 CNC(=O)CCSCc1ccnc(n1)Cl 62a_100000099655_100000737683 [0,1,0,0,0,1|2,0,0]=4 3085 B15R1.942 CNC(=O)CCSCc1ccnc(n1)Cl 62a_100000737683_100000099655 [0,1,0,0,0,1|2,0,0]=4 3086 B15R1.942 CNC(=O)CCSCc1cncc(c1)Br 62a_100000737683_100000738771 [0,1,0,0,0,1|2,0,0]=4 3087 B15R1.942 CNC(=O)CCSCc1cncc(c1)Br 62a_100000738771_100000737683 [0,1,0,0,0,1|2,0,0]=4 3088 B15R1.942 CNC(=O)CCSCc1cncc(c1)C 62a_100000716715_100000737683 [0,1,0,0,0,1|2,0,0]=4 3089 B15R1.942 CNC(=O)CCSCc1cncc(c1)C 62a_100000737683_100000716715 [0,1,0,0,0,1|2,0,0]=4 3090 B15R1.942 CNC(=O)CCSCc1cncc(c1)Cl 62a_100000737683_100016992070 [0,1,0,0,0,1|2,0,0]=4 3091 B15R1.942 CNC(=O)CCSCc1cncc(c1)Cl 62a_100016992070_100000737683 [0,1,0,0,0,1|2,0,0]=4 3092 B15R1.942 CNC(=O)CCSCc1cncc(c1)F 62a_100000725299_100000737683 [0,1,0,0,0,1|2,0,0]=4 3093 B15R1.942 CNC(=O)CCSCc1cncc(c1)F 62a_100000737683_100000725299 [0,1,0,0,0,1|2,0,0]=4 3094 B15R1.942 COC(=O)CCNCc1cccc(=O)[nH]1 2230a_100000696482_100000204255 [0,1,0,0,0,1|2,0,0]=4 3095 B15R1.942 COC(=O)CCNCc1cccc(c1)Br 2230a_100000174977_100000204255 [0,1,0,0,0,1|2,0,0]=4 3096 B15R1.942 COC(=O)CCNCc1cccc(c1)Br 34a_100000174977_100000742370 [0,1,0,0,0,1|2,0,0]=4 3097 B15R1.942 COC(=O)CCNCc1cccc(c1)C 2230a_100000185548_100000204255 [0,1,0,0,0,1|2,0,0]=4 3098 B15R1.942 COC(=O)CCNCc1cccc(c1)C 34a_100000185548_100000742370 [0,1,0,0,0,1|2,0,0]=4 3099 B15R1.942 COC(=O)CCNCc1cccc(c1)Cl 2230a_100000174878_100000204255 [0,1,0,0,0,1|2,0,0]=4 3100 B15R1.942 COC(=O)CCNCc1cccc(c1)Cl 34a_100000174878_100000742370 [0,1,0,0,0,1|2,0,0]=4 3101 B15R1.942 COC(=O)CCNCc1cccc(c1)F 2230a_100000174948_100000204255 [0,1,0,0,0,1|2,0,0]=4 3102 B15R1.942 COC(=O)CCNCc1cccc(c1)F 34a_100000174948_100000742370 [0,1,0,0,0,1|2,0,0]=4 3103 B15R1.942 COC(=O)CCNCc1cccc(c1)I 2230a_100000106179_100000204255 [0,1,0,0,0,1|2,0,0]=4 3104 B15R1.942 COC(=O)CCNCc1cccc(c1)I 34a_100000106179_100000742370 [0,1,0,0,0,1|2,0,0]=4 3105 B15R1.942 COC(=O)CCNCc1cccc(c1)O 2230a_100000743036_100000204255 [0,1,0,0,0,1|2,0,0]=4 3106 B15R1.942 COC(=O)CCNCc1cccc(c1)O 34a_100000743036_100000742370 [0,1,0,0,0,1|2,0,0]=4 3107 B15R1.942 COC(=O)CCNCc1cccc(n1)Br 2230a_100016987751_100000204255 [0,1,0,0,0,1|2,0,0]=4 3108 B15R1.942 COC(=O)CCNCc1cccc(n1)C 34a_100000701342_100000742370 [0,1,0,0,0,1|2,0,0]=4 3109 B15R1.942 COC(=O)CCNCc1cccc(n1)Cl 2230a_100016990191_100000204255 [0,1,0,0,0,1|2,0,0]=4 3110 B15R1.942 COC(=O)CCNCc1cccc(n1)F 2230a_100015188798_100000204255 [0,1,0,0,0,1|2,0,0]=4 3111 B15R1.942 COC(=O)CCNCc1cccc(n1)F 34a_100015188798_100000742370 [0,1,0,0,0,1|2,0,0]=4 3112 B15R1.942 COC(=O)CCNCc1ccnc(c1)Br 2230a_100025757509_100000204255 [0,1,0,0,0,1|2,0,0]=4 3113 B15R1.942 COC(=O)CCNCc1ccnc(c1)Br 34a_100025757509_100000742370 [0,1,0,0,0,1|2,0,0]=4 3114 B15R1.942 COC(=O)CCNCc1ccnc(c1)C 34a_100011934566_100000742370 [0,1,0,0,0,1|2,0,0]=4 3115 B15R1.942 COC(=O)CCNCc1ccnc(c1)Cl 2230a_100015205668_100000204255 [0,1,0,0,0,1|2,0,0]=4 3116 B15R1.942 COC(=O)CCNCc1ccnc(c1)Cl 34a_100015205668_100000742370 [0,1,0,0,0,1|2,0,0]=4 3117 B15R1.942 COC(=O)CCNCc1ccnc(c1)F 2230a_100015188774_100000204255 [0,1,0,0,0,1|2,0,0]=4 3118 B15R1.942 COC(=O)CCNCc1ccnc(c1)F 34a_100015188774_100000742370 [0,1,0,0,0,1|2,0,0]=4 3119 B15R1.942 COC(=O)CCNCc1cncc(c1)C 2230a_100000692839_100000204255 [0,1,0,0,0,1|2,0,0]=4 3120 B15R1.942 COC(=O)CCNCc1cncc(c1)C 34a_100000692839_100000742370 [0,1,0,0,0,1|2,0,0]=4 3121 B15R1.942 COC(=O)CCNCc1cncc(c1)Cl 2230a_200020614424_100000204255 [0,1,0,0,0,1|2,0,0]=4 3122 B15R1.942 COC(=O)CCNCc1cncc(c1)F 2230a_100011962886_100000204255 [0,1,0,0,0,1|2,0,0]=4 3123 B15R1.942 COC(=O)CCNCc1cncc(c1)F 34a_100011962886_100000742370 [0,1,0,0,0,1|2,0,0]=4 3124 B15R1.942 COC(=O)CCNCc1nccc(n1)C 2230a_100015186494_100000204255 [0,1,0,0,0,1|2,0,0]=4 3125 B15R1.942 COC(=O)CCOCc1cc(ccn1)C 34a_100011998357_100000742370 [0,1,0,0,0,1|1,1,0]=4 3126 B15R1.942 COC(=O)CCOCc1cc(ccn1)Cl 34a_100000748867_100000742370 [0,1,0,0,0,1|1,1,0]=4 3127 B15R1.942 COC(=O)CCOCc1cc(ccn1)N 34a_100000692640_100000742370 [0,1,0,0,0,1|1,1,0]=4 3128 B15R1.942 COC(=O)CCOCc1cc(cnn1)C 34a_100016212594_100000742370 [0,1,0,0,0,1|1,1,0]=4 3129 B15R1.942 COC(=O)CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000742370 [0,1,0,0,0,1|1,1,0]=4 3130 B15R1.942 COC(=O)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000204255 [0,1,0,0,0,1|1,1,0]=4 3131 B15R1.942 COC(=O)CCOCc1cccc(c1)Br 34a_100000687537_100000742370 [0,1,0,0,0,1|1,1,0]=4 3132 B15R1.942 COC(=O)CCOCc1cccc(c1)Br 7a_100000687537_100000204255 [0,1,0,0,0,1|1,1,0]=4 3133 B15R1.942 COC(=O)CCOCc1cccc(c1)C 34a_100011217746_100000742370 [0,1,0,0,0,1|1,1,0]=4 3134 B15R1.942 COC(=O)CCOCc1cccc(c1)C 7a_100011217746_100000204255 [0,1,0,0,0,1|1,1,0]=4 3135 B15R1.942 COC(=O)CCOCc1cccc(c1)Cl 34a_100000241301_100000742370 [0,1,0,0,0,1|1,1,0]=4 3136 B15R1.942 COC(=O)CCOCc1cccc(c1)Cl 7a_100000241301_100000204255 [0,1,0,0,0,1|1,1,0]=4 3137 B15R1.942 COC(=O)CCOCc1cccc(c1)F 34a_100000210976_100000742370 [0,1,0,0,0,1|1,1,0]=4 3138 B15R1.942 COC(=O)CCOCc1cccc(c1)F 7a_100000210976_100000204255 [0,1,0,0,0,1|1,1,0]=4 3139 B15R1.942 COC(=O)CCOCc1cccc(c1)I 34a_100011215336_100000742370 [0,1,0,0,0,1|1,1,0]=4 3140 B15R1.942 COC(=O)CCOCc1cccc(c1)I 7a_100011215336_100000204255 [0,1,0,0,0,1|1,1,0]=4 3141 B15R1.942 COC(=O)CCOCc1cccc(c1)N 34a_100000211919_100000742370 [0,1,0,0,0,1|1,1,0]=4 3142 B15R1.942 COC(=O)CCOCc1cccc(n1)Br 34a_100000694195_100000742370 [0,1,0,0,0,1|1,1,0]=4 3143 B15R1.942 COC(=O)CCOCc1cccc(n1)C 34a_100000690600_100000742370 [0,1,0,0,0,1|1,1,0]=4 3144 B15R1.942 COC(=O)CCOCc1cccc(n1)Cl 34a_100011998359_100000742370 [0,1,0,0,0,1|1,1,0]=4 3145 B15R1.942 COC(=O)CCOCc1cccc(n1)F 34a_100000086748_100000742370 [0,1,0,0,0,1|1,1,0]=4 3146 B15R1.942 COC(=O)CCOCc1ccnc(c1)Br 34a_100009814636_100000742370 [0,1,0,0,0,1|1,1,0]=4 3147 B15R1.942 COC(=O)CCOCc1ccnc(c1)Br 7a_100009814636_100000204255 [0,1,0,0,0,1|1,1,0]=4 3148 B15R1.942 COC(=O)CCOCc1ccnc(c1)C 34a_100011998630_100000742370 [0,1,0,0,0,1|1,1,0]=4 3149 B15R1.942 COC(=O)CCOCc1ccnc(c1)Cl 34a_100000748751_100000742370 [0,1,0,0,0,1|1,1,0]=4 3150 B15R1.942 COC(=O)CCOCc1ccnc(c1)F 34a_100000082451_100000742370 [0,1,0,0,0,1|1,1,0]=4 3151 B15R1.942 COC(=O)CCOCc1cncc(c1)Br 34a_100011259137_100000742370 [0,1,0,0,0,1|1,1,0]=4 3152 B15R1.942 COC(=O)CCOCc1cncc(c1)Br 7a_100011259137_100000204255 [0,1,0,0,0,1|1,1,0]=4 3153 B15R1.942 COC(=O)CCOCc1cncc(c1)C 34a_100011998709_100000742370 [0,1,0,0,0,1|1,1,0]=4 3154 B15R1.942 COC(=O)CCOCc1cncc(c1)C 7a_100011998709_100000204255 [0,1,0,0,0,1|1,1,0]=4 3155 B15R1.942 COC(=O)CCOCc1cncc(c1)Cl 34a_100000092867_100000742370 [0,1,0,0,0,1|1,1,0]=4 3156 B15R1.942 COC(=O)CCOCc1cncc(c1)Cl 7a_100000092867_100000204255 [0,1,0,0,0,1|1,1,0]=4 3157 B15R1.942 COC(=O)CCOCc1cncc(c1)F 34a_100011962875_100000742370 [0,1,0,0,0,1|1,1,0]=4 3158 B15R1.942 COC(=O)CCOCc1cncc(c1)F 7a_100011962875_100000204255 [0,1,0,0,0,1|1,1,0]=4 3159 B15R1.942 COC(=O)CCOCc1cncc(c1)N 34a_100000085308_100000742370 [0,1,0,0,0,1|1,1,0]=4 3160 B15R1.942 COC(=O)CCSCc1cc(ccn1)Br 62a_100000204255_100010173614 [0,1,0,0,0,1|1,0,0]=3 3161 B15R1.942 COC(=O)CCSCc1cc(ccn1)Br 62a_100010173614_100000204255 [0,1,0,0,0,1|1,0,0]=3 3162 B15R1.942 COC(=O)CCSCc1cc(ccn1)C 62a_100000204255_100000718516 [0,1,0,0,0,1|1,0,0]=3 3163 B15R1.942 COC(=O)CCSCc1cc(ccn1)C 62a_100000718516_100000204255 [0,1,0,0,0,1|1,0,0]=3 3164 B15R1.942 COC(=O)CCSCc1cc(ccn1)Cl 62a_100000204255_100016988179 [0,1,0,0,0,1|1,0,0]=3 3165 B15R1.942 COC(=O)CCSCc1cc(ccn1)Cl 62a_100016988179_100000204255 [0,1,0,0,0,1|1,0,0]=3 3166 B15R1.942 COC(=O)CCSCc1cccc(c1)Br 62a_100000204255_100000211773 [0,1,0,0,0,1|1,0,0]=3 3167 B15R1.942 COC(=O)CCSCc1cccc(c1)Br 62a_100000211773_100000204255 [0,1,0,0,0,1|1,0,0]=3 3168 B15R1.942 COC(=O)CCSCc1cccc(c1)C 62a_100000204255_100000211840 [0,1,0,0,0,1|1,0,0]=3 3169 B15R1.942 COC(=O)CCSCc1cccc(c1)C 62a_100000211840_100000204255 [0,1,0,0,0,1|1,0,0]=3 3170 B15R1.942 COC(=O)CCSCc1cccc(c1)Cl 62a_100000187163_100000204255 [0,1,0,0,0,1|1,0,0]=3 3171 B15R1.942 COC(=O)CCSCc1cccc(c1)Cl 62a_100000204255_100000187163 [0,1,0,0,0,1|1,0,0]=3 3172 B15R1.942 COC(=O)CCSCc1cccc(c1)F 62a_100000204255_100000230114 [0,1,0,0,0,1|1,0,0]=3 3173 B15R1.942 COC(=O)CCSCc1cccc(c1)F 62a_100000230114_100000204255 [0,1,0,0,0,1|1,0,0]=3 3174 B15R1.942 COC(=O)CCSCc1cccc(c1)I 62a_100000204255_100011218688 [0,1,0,0,0,1|1,0,0]=3 3175 B15R1.942 COC(=O)CCSCc1cccc(c1)I 62a_100011218688_100000204255 [0,1,0,0,0,1|1,0,0]=3 3176 B15R1.942 COC(=O)CCSCc1cccc(c1)O 62a_100000204255_100011660834 [0,1,0,0,0,1|1,0,0]=3 3177 B15R1.942 COC(=O)CCSCc1cccc(c1)O 62a_100011660834_100000204255 [0,1,0,0,0,1|1,0,0]=3 3178 B15R1.942 COC(=O)CCSCc1cccc(n1)Br 62a_100000204255_100009889011 [0,1,0,0,0,1|1,0,0]=3 3179 B15R1.942 COC(=O)CCSCc1cccc(n1)Br 62a_100009889011_100000204255 [0,1,0,0,0,1|1,0,0]=3 3180 B15R1.942 COC(=O)CCSCc1cccc(n1)C 62a_100000204255_100000757606 [0,1,0,0,0,1|1,0,0]=3 3181 B15R1.942 COC(=O)CCSCc1cccc(n1)C 62a_100000757606_100000204255 [0,1,0,0,0,1|1,0,0]=3 3182 B15R1.942 COC(=O)CCSCc1cccc(n1)Cl 62a_100000086093_100000204255 [0,1,0,0,0,1|1,0,0]=3 3183 B15R1.942 COC(=O)CCSCc1cccc(n1)Cl 62a_100000204255_100000086093 [0,1,0,0,0,1|1,0,0]=3 3184 B15R1.942 COC(=O)CCSCc1cccc(n1)F 62a_100000204255_100009819644 [0,1,0,0,0,1|1,0,0]=3 3185 B15R1.942 COC(=O)CCSCc1cccc(n1)F 62a_100009819644_100000204255 [0,1,0,0,0,1|1,0,0]=3 3186 B15R1.942 COC(=O)CCSCc1ccnc(c1)Br 62a_100000204255_100010243470 [0,1,0,0,0,1|1,0,0]=3 3187 B15R1.942 COC(=O)CCSCc1ccnc(c1)Br 62a_100010254460_100000204255 [0,1,0,0,0,1|1,0,0]=3 3188 B15R1.942 COC(=O)CCSCc1ccnc(c1)C 62a_100000204255_200020672517 [0,1,0,0,0,1|1,0,0]=3 3189 B15R1.942 COC(=O)CCSCc1ccnc(c1)C 62a_200020672517_100000204255 [0,1,0,0,0,1|1,0,0]=3 3190 B15R1.942 COC(=O)CCSCc1ccnc(c1)Cl 62a_100000204255_100000764220 [0,1,0,0,0,1|1,0,0]=3 3191 B15R1.942 COC(=O)CCSCc1ccnc(c1)Cl 62a_100000764220_100000204255 [0,1,0,0,0,1|1,0,0]=3 3192 B15R1.942 COC(=O)CCSCc1ccnc(n1)Cl 62a_100000099655_100000204255 [0,1,0,0,0,1|1,0,0]=3 3193 B15R1.942 COC(=O)CCSCc1ccnc(n1)Cl 62a_100000204255_100000099655 [0,1,0,0,0,1|1,0,0]=3 3194 B15R1.942 COC(=O)CCSCc1cncc(c1)Br 62a_100000204255_100000738771 [0,1,0,0,0,1|1,0,0]=3 3195 B15R1.942 COC(=O)CCSCc1cncc(c1)Br 62a_100000738771_100000204255 [0,1,0,0,0,1|1,0,0]=3 3196 B15R1.942 COC(=O)CCSCc1cncc(c1)C 62a_100000204255_100000716715 [0,1,0,0,0,1|1,0,0]=3 3197 B15R1.942 COC(=O)CCSCc1cncc(c1)C 62a_100000716715_100000204255 [0,1,0,0,0,1|1,0,0]=3 3198 B15R1.942 COC(=O)CCSCc1cncc(c1)Cl 62a_100000204255_100016992070 [0,1,0,0,0,1|1,0,0]=3 3199 B15R1.942 COC(=O)CCSCc1cncc(c1)Cl 62a_100016992070_100000204255 [0,1,0,0,0,1|1,0,0]=3 3200 B15R1.942 COC(=O)CCSCc1cncc(c1)F 62a_100000204255_100000725299 [0,1,0,0,0,1|1,0,0]=3 3201 B15R1.942 COC(=O)CCSCc1cncc(c1)F 62a_100000725299_100000204255 [0,1,0,0,0,1|1,0,0]=3 3202 B15R1.942 COC(=O)OCSCc1cc(ccn1)Br 62a_100010173614_100000139417 [0,1,0,0,0,1|2,0,0]=4 3203 B15R1.942 COC(=O)OCSCc1cc(ccn1)C 62a_100000718516_100000139417 [0,1,0,0,0,1|2,0,0]=4 3204 B15R1.942 COC(=O)OCSCc1cc(ccn1)Cl 62a_100016988179_100000139417 [0,1,0,0,0,1|2,0,0]=4 3205 B15R1.942 COC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000139417 [0,1,0,0,0,1|2,0,0]=4 3206 B15R1.942 COC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000139417 [0,1,0,0,0,1|2,0,0]=4 3207 B15R1.942 COC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000139417 [0,1,0,0,0,1|2,0,0]=4 3208 B15R1.942 COC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000139417 [0,1,0,0,0,1|2,0,0]=4 3209 B15R1.942 COC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000139417 [0,1,0,0,0,1|2,0,0]=4 3210 B15R1.942 COC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000139417 [0,1,0,0,0,1|2,0,0]=4 3211 B15R1.942 COC(=O)OCSCc1cccc(n1)Br 62a_100009889011_100000139417 [0,1,0,0,0,1|2,0,0]=4 3212 B15R1.942 COC(=O)OCSCc1cccc(n1)C 62a_100000757606_100000139417 [0,1,0,0,0,1|2,0,0]=4 3213 B15R1.942 COC(=O)OCSCc1cccc(n1)Cl 62a_100000086093_100000139417 [0,1,0,0,0,1|2,0,0]=4 3214 B15R1.942 COC(=O)OCSCc1cccc(n1)F 62a_100009819644_100000139417 [0,1,0,0,0,1|2,0,0]=4 3215 B15R1.942 COC(=O)OCSCc1ccnc(c1)Br 62a_100010254460_100000139417 [0,1,0,0,0,1|2,0,0]=4 3216 B15R1.942 COC(=O)OCSCc1ccnc(c1)C 62a_200020672517_100000139417 [0,1,0,0,0,1|2,0,0]=4 3217 B15R1.942 COC(=O)OCSCc1ccnc(c1)Cl 62a_100000764220_100000139417 [0,1,0,0,0,1|2,0,0]=4 3218 B15R1.942 COC(=O)OCSCc1ccnc(n1)Cl 62a_100000099655_100000139417 [0,1,0,0,0,1|2,0,0]=4 3219 B15R1.942 COC(=O)OCSCc1cncc(c1)Br 62a_100000738771_100000139417 [0,1,0,0,0,1|2,0,0]=4 3220 B15R1.942 COC(=O)OCSCc1cncc(c1)C 62a_100000716715_100000139417 [0,1,0,0,0,1|2,0,0]=4 3221 B15R1.942 COC(=O)OCSCc1cncc(c1)Cl 62a_100016992070_100000139417 [0,1,0,0,0,1|2,0,0]=4 3222 B15R1.942 COC(=O)OCSCc1cncc(c1)F 62a_100000725299_100000139417 [0,1,0,0,0,1|2,0,0]=4 3223 B15R1.959 CNC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000737683 [0,1,0,0,0,1|2,0,0]=4 3224 B15R1.959 CNC(=O)CCSC(C)c1ccccc1 62a_100000737683_100000230085 [0,1,0,0,0,1|2,0,0]=4 3225 B15R1.959 CNC(=O)CCSC(C)c1cnccn1 62a_100000737683_200000703233 [0,1,0,0,0,1|2,0,0]=4 3226 B15R1.959 CNC(=O)CCSC(C)c1cnccn1 62a_200000703233_100000737683 [0,1,0,0,0,1|2,0,0]=4 3227 B15R1.959 COC(=O)CCNC(C)c1ccccn1 2230a_100000181244_100000204255 [0,1,0,0,0,1|2,0,0]=4 3228 B15R1.959 COC(=O)CCNC(C)c1cccnc1 2230a_100000195435_100000204255 [0,1,0,0,0,1|2,0,0]=4 3229 B15R1.959 COC(=O)CCNC(C)c1ccncc1 2230a_100000181269_100000204255 [0,1,0,0,0,1|2,0,0]=4 3230 B15R1.959 COC(=O)CCNC(C)c1ncccn1 2230a_100020641698_100000204255 [0,1,0,0,0,1|2,0,0]=4 3231 B15R1.959 COC(=O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000204255 [0,1,0,0,0,1|2,0,0]=4 3232 B15R1.959 COC(=O)CCN[C@H](C)c1cnccn1 2230a_100020589798_100000204255 [0,1,0,0,0,1|2,0,0]=4 3233 B15R1.959 COC(=O)CCO[C@H](C)c1ccccc1 34a_100000761318_100000742370 [0,1,0,0,0,1|1,1,0]=4 3234 B15R1.959 COC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100000204255 [0,1,0,0,0,1|1,1,0]=4 3235 B15R1.959 COC(=O)CCSC(C)c1ccccc1 62a_100000204255_100000230085 [0,1,0,0,0,1|1,0,0]=3 3236 B15R1.959 COC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000204255 [0,1,0,0,0,1|1,0,0]=3 3237 B15R1.959 COC(=O)CCSC(C)c1cnccn1 62a_100000204255_200000703233 [0,1,0,0,0,1|1,0,0]=3 3238 B15R1.959 COC(=O)CCSC(C)c1cnccn1 62a_200000703233_100000204255 [0,1,0,0,0,1|1,0,0]=3 3239 B15R1.959 COC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000139417 [0,1,0,0,0,1|2,0,0]=4 3240 B15R1.959 COC(=O)OCSC(C)c1cnccn1 62a_200000703233_100000139417 [0,1,0,0,0,1|2,0,0]=4 3241 B15R1.964 COC(=O)CCC(=O)Cc1ccccc1 1458a_100000187943_100015291786 [0,1,0,0,0,1|2,0,0]=4 3242 B15R1.964 COC(=O)CCC(=O)Cc1ccccn1 1458a_100000187943_100000721315 [0,1,0,0,0,1|2,0,0]=4 3243 B15R1.964 COC(=O)CCC(=O)Cc1cccnc1 1458a_100000187943_100000733263 [0,1,0,0,0,1|2,0,0]=4 3244 B15R1.964 COC(=O)CCC(=O)Cc1cccnn1 1458a_100000187943_100016990269 [0,1,0,0,0,1|2,0,0]=4 3245 B15R1.964 COC(=O)CCC(=O)Cc1ccncc1 1458a_100000187943_100000705612 [0,1,0,0,0,1|2,0,0]=4 3246 B15R1.964 COC(=O)CCC(=O)Cc1cnccn1 1458a_100000187943_100016995436 [0,1,0,0,0,1|2,0,0]=4 3247 B15R1.964 COC(=O)CCC(=O)Cc1ncccn1 1458a_100000187943_100000703007 [0,1,0,0,0,1|2,0,0]=4 3248 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 2230a_100000177508_200000210301 [0,1,0,0,0,1|2,0,0]=4 3249 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 2230a_100000186898_100000204255 [0,1,0,0,0,1|2,0,0]=4 3250 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 269982a_100000177508_200000210301 [0,1,0,0,0,1|2,0,0]=4 3251 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100000204255 [0,1,0,0,0,1|2,0,0]=4 3252 B15R1.964 COC(=O)CCN(C)Cc1ccccc1 269982a_100025711912_100000211182 [0,1,0,0,0,1|2,0,0]=4 3253 B15R1.964 COC(=O)CCN(C)Cc1ccccn1 2230a_100000207498_100000204255 [0,1,0,0,0,1|2,0,0]=4 3254 B15R1.964 COC(=O)CCN(C)Cc1ccccn1 269982a_100000207498_100000204255 [0,1,0,0,0,1|2,0,0]=4 3255 B15R1.964 COC(=O)CCN(C)Cc1ccccn1 269982a_100025711912_100000721315 [0,1,0,0,0,1|2,0,0]=4 3256 B15R1.964 COC(=O)CCN(C)Cc1cccnc1 2230a_100000184577_100000204255 [0,1,0,0,0,1|2,0,0]=4 3257 B15R1.964 COC(=O)CCN(C)Cc1cccnc1 269982a_100000184577_100000204255 [0,1,0,0,0,1|2,0,0]=4 3258 B15R1.964 COC(=O)CCN(C)Cc1cccnc1 269982a_100025711912_100000733263 [0,1,0,0,0,1|2,0,0]=4 3259 B15R1.964 COC(=O)CCN(C)Cc1ccncc1 2230a_100000187231_100000204255 [0,1,0,0,0,1|2,0,0]=4 3260 B15R1.964 COC(=O)CCN(C)Cc1ccncc1 269982a_100000187231_100000204255 [0,1,0,0,0,1|2,0,0]=4 3261 B15R1.964 COC(=O)CCN(C)Cc1ccncc1 269982a_100025711912_100015193705 [0,1,0,0,0,1|2,0,0]=4 3262 B15R1.964 COC(=O)CCN(C)Cc1cnccn1 2230a_100011269079_100000204255 [0,1,0,0,0,1|2,0,0]=4 3263 B15R1.964 COC(=O)CCN(C)Cc1cnccn1 269982a_100011269079_100000204255 [0,1,0,0,0,1|2,0,0]=4 3264 B15R1.964 COC(=O)CCN(C)Cc1cnccn1 269982a_100025711912_100016995436 [0,1,0,0,0,1|2,0,0]=4 3265 B15R1.964 COC(=O)CCN(C)Cc1ncccn1 2230a_100025716638_100000204255 [0,1,0,0,0,1|2,0,0]=4 3266 B15R1.964 COC(=O)CCN(C)Cc1ncccn1 269982a_100025711912_100000703007 [0,1,0,0,0,1|2,0,0]=4 3267 B15R1.964 COC(=O)CCN(C)Cc1ncccn1 269982a_100025716638_100000204255 [0,1,0,0,0,1|2,0,0]=4 3268 B15R1.964 COC(=O)CCN([13CH3])Cc1ccccc1 2230a_100000177508_200025704644 [0,1,0,0,0,1|2,0,0]=4 3269 B15R1.964 COC(=O)CCN([13CH3])Cc1ccccc1 269982a_100000177508_200025704644 [0,1,0,0,0,1|2,0,0]=4 3270 B15R1.1091 CNC(=O)CCSCc1ccccc1Br 62a_100000184730_100000737683 [0,1,0,0,0,1|2,0,0]=4 3271 B15R1.1091 CNC(=O)CCSCc1ccccc1Br 62a_100000737683_100000184730 [0,1,0,0,0,1|2,0,0]=4 3272 B15R1.1091 CNC(=O)CCSCc1ccccc1C 62a_100000211839_100000737683 [0,1,0,0,0,1|2,0,0]=4 3273 B15R1.1091 CNC(=O)CCSCc1ccccc1C 62a_100000737683_100000211839 [0,1,0,0,0,1|2,0,0]=4 3274 B15R1.1091 CNC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000737683 [0,1,0,0,0,1|2,0,0]=4 3275 B15R1.1091 CNC(=O)CCSCc1ccccc1Cl 62a_100000737683_100000187162 [0,1,0,0,0,1|2,0,0]=4 3276 B15R1.1091 CNC(=O)CCSCc1ccccc1F 62a_100000211605_100000737683 [0,1,0,0,0,1|2,0,0]=4 3277 B15R1.1091 CNC(=O)CCSCc1ccccc1F 62a_100000737683_100000211605 [0,1,0,0,0,1|2,0,0]=4 3278 B15R1.1091 CNC(=O)CCSCc1ccccc1I 62a_100000737683_100011216222 [0,1,0,0,0,1|2,0,0]=4 3279 B15R1.1091 CNC(=O)CCSCc1ccccc1I 62a_100011216222_100000737683 [0,1,0,0,0,1|2,0,0]=4 3280 B15R1.1091 CNC(=O)CCSCc1cccnc1Br 62a_100000737683_100010140945 [0,1,0,0,0,1|2,0,0]=4 3281 B15R1.1091 CNC(=O)CCSCc1cccnc1Br 62a_100010140945_100000737683 [0,1,0,0,0,1|2,0,0]=4 3282 B15R1.1091 CNC(=O)CCSCc1cccnc1C 62a_100000732876_100000737683 [0,1,0,0,0,1|2,0,0]=4 3283 B15R1.1091 CNC(=O)CCSCc1cccnc1C 62a_100000737683_100000732876 [0,1,0,0,0,1|2,0,0]=4 3284 B15R1.1091 CNC(=O)CCSCc1cccnc1Cl 62a_100000045678_100000737683 [0,1,0,0,0,1|2,0,0]=4 3285 B15R1.1091 CNC(=O)CCSCc1cccnc1Cl 62a_100000737683_100000045678 [0,1,0,0,0,1|2,0,0]=4 3286 B15R1.1091 CNC(=O)CCSCc1cccnc1F 62a_100000099810_100000737683 [0,1,0,0,0,1|2,0,0]=4 3287 B15R1.1091 CNC(=O)CCSCc1cccnc1F 62a_100000737683_100000099810 [0,1,0,0,0,1|2,0,0]=4 3288 B15R1.1091 CNC(=O)CCSCc1ccncc1C 62a_100000737683_100020672808 [0,1,0,0,0,1|2,0,0]=4 3289 B15R1.1091 CNC(=O)CCSCc1ccncc1C 62a_100020672808_100000737683 [0,1,0,0,0,1|2,0,0]=4 3290 B15R1.1091 CNC(=O)CCSCc1ccncc1Cl 62a_100000737683_100000763264 [0,1,0,0,0,1|2,0,0]=4 3291 B15R1.1091 CNC(=O)CCSCc1ccncc1Cl 62a_100000763264_100000737683 [0,1,0,0,0,1|2,0,0]=4 3292 B15R1.1091 CNC(=O)CCSCc1cnccc1C 62a_100000690890_100000737683 [0,1,0,0,0,1|2,0,0]=4 3293 B15R1.1091 CNC(=O)CCSCc1cnccc1C 62a_100000737683_100000690890 [0,1,0,0,0,1|2,0,0]=4 3294 B15R1.1091 CNC(=O)CCSCc1ncccc1Br 62a_100000737683_100025702911 [0,1,0,0,0,1|2,0,0]=4 3295 B15R1.1091 CNC(=O)CCSCc1ncccc1Br 62a_100025702911_100000737683 [0,1,0,0,0,1|2,0,0]=4 3296 B15R1.1091 CNC(=O)CCSCc1ncccc1C 62a_100000696600_100000737683 [0,1,0,0,0,1|2,0,0]=4 3297 B15R1.1091 CNC(=O)CCSCc1ncccc1C 62a_100000737683_100000696600 [0,1,0,0,0,1|2,0,0]=4 3298 B15R1.1091 CNC(=O)CCSCc1ncccc1Cl 62a_100000099807_100000737683 [0,1,0,0,0,1|2,0,0]=4 3299 B15R1.1091 CNC(=O)CCSCc1ncccc1Cl 62a_100000737683_100000099807 [0,1,0,0,0,1|2,0,0]=4 3300 B15R1.1091 CNC(=O)CCSCc1ncccc1F 62a_100000104219_100000737683 [0,1,0,0,0,1|2,0,0]=4 3301 B15R1.1091 CNC(=O)CCSCc1ncccc1F 62a_100000737683_100000104219 [0,1,0,0,0,1|2,0,0]=4 3302 B15R1.1091 CNC(=O)CCSCc1ncccc1O 62a_100000737683_200020655725 [0,1,0,0,0,1|2,0,0]=4 3303 B15R1.1091 CNC(=O)CCSCc1ncccc1O 62a_200020655725_100000737683 [0,1,0,0,0,1|2,0,0]=4 3304 B15R1.1091 COC(=O)CCCOc1cccoc1=O 34a_100000077404_100000742333 [0,1,0,0,0,1|2,0,0]=4 3305 B15R1.1091 COC(=O)CCCOc1cccoc1=O 7a_100000077404_100011218270 [0,1,0,0,0,1|2,0,0]=4 3306 B15R1.1091 COC(=O)CCCOc1coccc1=O 34a_100000060831_100000742333 [0,1,0,0,0,1|2,0,0]=4 3307 B15R1.1091 COC(=O)CCNCc1ccccc1Br 2230a_100000689332_100000204255 [0,1,0,0,0,1|2,0,0]=4 3308 B15R1.1091 COC(=O)CCNCc1ccccc1Br 34a_100000689332_100000742370 [0,1,0,0,0,1|2,0,0]=4 3309 B15R1.1091 COC(=O)CCNCc1ccccc1C 34a_100000174972_100000742370 [0,1,0,0,0,1|2,0,0]=4 3310 B15R1.1091 COC(=O)CCNCc1ccccc1Cl 2230a_100000174879_100000204255 [0,1,0,0,0,1|2,0,0]=4 3311 B15R1.1091 COC(=O)CCNCc1ccccc1Cl 34a_100000174879_100000742370 [0,1,0,0,0,1|2,0,0]=4 3312 B15R1.1091 COC(=O)CCNCc1ccccc1F 34a_100000174869_100000742370 [0,1,0,0,0,1|2,0,0]=4 3313 B15R1.1091 COC(=O)CCNCc1ccccc1O 34a_100000185550_100000742370 [0,1,0,0,0,1|2,0,0]=4 3314 B15R1.1091 COC(=O)CCNCc1cccnc1Br 2230a_100009818023_100000204255 [0,1,0,0,0,1|2,0,0]=4 3315 B15R1.1091 COC(=O)CCNCc1cccnc1Br 34a_100009818023_100000742370 [0,1,0,0,0,1|2,0,0]=4 3316 B15R1.1091 COC(=O)CCNCc1cccnc1Cl 2230a_100015189234_100000204255 [0,1,0,0,0,1|2,0,0]=4 3317 B15R1.1091 COC(=O)CCNCc1cccnc1Cl 34a_100015189234_100000742370 [0,1,0,0,0,1|2,0,0]=4 3318 B15R1.1091 COC(=O)CCNCc1cccnc1F 34a_100000724633_100000742370 [0,1,0,0,0,1|2,0,0]=4 3319 B15R1.1091 COC(=O)CCNCc1ccncc1F 34a_100011935246_100000742370 [0,1,0,0,0,1|2,0,0]=4 3320 B15R1.1091 COC(=O)CCNCc1ncccc1C 34a_100011223789_100000742370 [0,1,0,0,0,1|2,0,0]=4 3321 B15R1.1091 COC(=O)CCNCc1ncccc1Cl 2230a_100015189233_100000204255 [0,1,0,0,0,1|2,0,0]=4 3322 B15R1.1091 COC(=O)CCNCc1ncccc1F 34a_100000690088_100000742370 [0,1,0,0,0,1|2,0,0]=4 3323 B15R1.1091 COC(=O)CCNCc1nccnc1C 2230a_100020641712_100000204255 [0,1,0,0,0,1|2,0,0]=4 3324 B15R1.1091 COC(=O)CCNCc1nccnc1C 34a_100020641712_100000742370 [0,1,0,0,0,1|2,0,0]=4 3325 B15R1.1091 COC(=O)CCNCc1nccnc1Cl 2230a_100000729963_100000204255 [0,1,0,0,0,1|2,0,0]=4 3326 B15R1.1091 COC(=O)CCOCc1ccccc1Br 34a_100000756307_100000742370 [0,1,0,0,0,1|1,1,0]=4 3327 B15R1.1091 COC(=O)CCOCc1ccccc1Br 7a_100000756307_100000204255 [0,1,0,0,0,1|1,1,0]=4 3328 B15R1.1091 COC(=O)CCOCc1ccccc1C 34a_100000698903_100000742370 [0,1,0,0,0,1|1,1,0]=4 3329 B15R1.1091 COC(=O)CCOCc1ccccc1C 7a_100000698903_100000204255 [0,1,0,0,0,1|1,1,0]=4 3330 B15R1.1091 COC(=O)CCOCc1ccccc1Cl 34a_100000210847_100000742370 [0,1,0,0,0,1|1,1,0]=4 3331 B15R1.1091 COC(=O)CCOCc1ccccc1Cl 7a_100000210847_100000204255 [0,1,0,0,0,1|1,1,0]=4 3332 B15R1.1091 COC(=O)CCOCc1ccccc1F 34a_100000211962_100000742370 [0,1,0,0,0,1|1,1,0]=4 3333 B15R1.1091 COC(=O)CCOCc1ccccc1F 7a_100000211962_100000204255 [0,1,0,0,0,1|1,1,0]=4 3334 B15R1.1091 COC(=O)CCOCc1ccccc1I 34a_100000187465_100000742370 [0,1,0,0,0,1|1,1,0]=4 3335 B15R1.1091 COC(=O)CCOCc1ccccc1I 7a_100000187465_100000204255 [0,1,0,0,0,1|1,1,0]=4 3336 B15R1.1091 COC(=O)CCOCc1ccccc1N 34a_100000212039_100000742370 [0,1,0,0,0,1|1,1,0]=4 3337 B15R1.1091 COC(=O)CCOCc1cccnc1Br 34a_100000719692_100000742370 [0,1,0,0,0,1|1,1,0]=4 3338 B15R1.1091 COC(=O)CCOCc1cccnc1Br 7a_100000719692_100000204255 [0,1,0,0,0,1|1,1,0]=4 3339 B15R1.1091 COC(=O)CCOCc1cccnc1C 34a_100000729262_100000742370 [0,1,0,0,0,1|1,1,0]=4 3340 B15R1.1091 COC(=O)CCOCc1cccnc1C 7a_100000729262_100000204255 [0,1,0,0,0,1|1,1,0]=4 3341 B15R1.1091 COC(=O)CCOCc1cccnc1Cl 34a_100000748726_100000742370 [0,1,0,0,0,1|1,1,0]=4 3342 B15R1.1091 COC(=O)CCOCc1cccnc1Cl 7a_100000748726_100000204255 [0,1,0,0,0,1|1,1,0]=4 3343 B15R1.1091 COC(=O)CCOCc1cccnc1F 34a_100000079888_100000742370 [0,1,0,0,0,1|1,1,0]=4 3344 B15R1.1091 COC(=O)CCOCc1cccnc1F 7a_100000079888_100000204255 [0,1,0,0,0,1|1,1,0]=4 3345 B15R1.1091 COC(=O)CCOCc1ccncc1C 34a_100011997032_100000742370 [0,1,0,0,0,1|1,1,0]=4 3346 B15R1.1091 COC(=O)CCOCc1ccncc1F 34a_100012172863_100000742370 [0,1,0,0,0,1|1,1,0]=4 3347 B15R1.1091 COC(=O)CCOCc1cnccc1C 34a_100011996381_100000742370 [0,1,0,0,0,1|1,1,0]=4 3348 B15R1.1091 COC(=O)CCOCc1cnccc1Cl 34a_100000117392_100000742370 [0,1,0,0,0,1|1,1,0]=4 3349 B15R1.1091 COC(=O)CCOCc1ncccc1Br 34a_100011996772_100000742370 [0,1,0,0,0,1|1,1,0]=4 3350 B15R1.1091 COC(=O)CCOCc1ncccc1C 34a_100000698912_100000742370 [0,1,0,0,0,1|1,1,0]=4 3351 B15R1.1091 COC(=O)CCOCc1ncccc1Cl 34a_100012002383_100000742370 [0,1,0,0,0,1|1,1,0]=4 3352 B15R1.1091 COC(=O)CCOCc1ncccc1F 34a_100011934865_100000742370 [0,1,0,0,0,1|1,1,0]=4 3353 B15R1.1091 COC(=O)CCOCc1ncccc1N 34a_114873767017_100000742370 [0,1,0,0,0,1|1,1,0]=4 3354 B15R1.1091 COC(=O)CCOCc1nccnc1Cl 34a_100000057004_100000742370 [0,1,0,0,0,1|1,1,0]=4 3355 B15R1.1091 COC(=O)CCSCc1ccccc1Br 62a_100000184730_100000204255 [0,1,0,0,0,1|1,0,0]=3 3356 B15R1.1091 COC(=O)CCSCc1ccccc1Br 62a_100000204255_100000184730 [0,1,0,0,0,1|1,0,0]=3 3357 B15R1.1091 COC(=O)CCSCc1ccccc1C 62a_100000204255_100000211839 [0,1,0,0,0,1|1,0,0]=3 3358 B15R1.1091 COC(=O)CCSCc1ccccc1C 62a_100000211839_100000204255 [0,1,0,0,0,1|1,0,0]=3 3359 B15R1.1091 COC(=O)CCSCc1ccccc1Cl 62a_100000187162_100000204255 [0,1,0,0,0,1|1,0,0]=3 3360 B15R1.1091 COC(=O)CCSCc1ccccc1Cl 62a_100000204255_100000187162 [0,1,0,0,0,1|1,0,0]=3 3361 B15R1.1091 COC(=O)CCSCc1ccccc1F 62a_100000204255_100000211605 [0,1,0,0,0,1|1,0,0]=3 3362 B15R1.1091 COC(=O)CCSCc1ccccc1F 62a_100000211605_100000204255 [0,1,0,0,0,1|1,0,0]=3 3363 B15R1.1091 COC(=O)CCSCc1ccccc1I 62a_100000204255_100011216222 [0,1,0,0,0,1|1,0,0]=3 3364 B15R1.1091 COC(=O)CCSCc1ccccc1I 62a_100011216222_100000204255 [0,1,0,0,0,1|1,0,0]=3 3365 B15R1.1091 COC(=O)CCSCc1cccnc1Br 62a_100000204255_100010140945 [0,1,0,0,0,1|1,0,0]=3 3366 B15R1.1091 COC(=O)CCSCc1cccnc1Br 62a_100010140945_100000204255 [0,1,0,0,0,1|1,0,0]=3 3367 B15R1.1091 COC(=O)CCSCc1cccnc1C 62a_100000204255_100000732876 [0,1,0,0,0,1|1,0,0]=3 3368 B15R1.1091 COC(=O)CCSCc1cccnc1C 62a_100000732876_100000204255 [0,1,0,0,0,1|1,0,0]=3 3369 B15R1.1091 COC(=O)CCSCc1cccnc1Cl 62a_100000045678_100000204255 [0,1,0,0,0,1|1,0,0]=3 3370 B15R1.1091 COC(=O)CCSCc1cccnc1Cl 62a_100000204255_100000045678 [0,1,0,0,0,1|1,0,0]=3 3371 B15R1.1091 COC(=O)CCSCc1cccnc1F 62a_100000099810_100000204255 [0,1,0,0,0,1|1,0,0]=3 3372 B15R1.1091 COC(=O)CCSCc1cccnc1F 62a_100000204255_100000099810 [0,1,0,0,0,1|1,0,0]=3 3373 B15R1.1091 COC(=O)CCSCc1ccncc1C 62a_100000204255_100020672808 [0,1,0,0,0,1|1,0,0]=3 3374 B15R1.1091 COC(=O)CCSCc1ccncc1C 62a_100020672808_100000204255 [0,1,0,0,0,1|1,0,0]=3 3375 B15R1.1091 COC(=O)CCSCc1ccncc1Cl 62a_100000204255_100000763264 [0,1,0,0,0,1|1,0,0]=3 3376 B15R1.1091 COC(=O)CCSCc1ccncc1Cl 62a_100000763264_100000204255 [0,1,0,0,0,1|1,0,0]=3 3377 B15R1.1091 COC(=O)CCSCc1cnccc1C 62a_100000204255_100000690890 [0,1,0,0,0,1|1,0,0]=3 3378 B15R1.1091 COC(=O)CCSCc1cnccc1C 62a_100000690890_100000204255 [0,1,0,0,0,1|1,0,0]=3 3379 B15R1.1091 COC(=O)CCSCc1ncccc1Br 62a_100000204255_100025702911 [0,1,0,0,0,1|1,0,0]=3 3380 B15R1.1091 COC(=O)CCSCc1ncccc1Br 62a_100025702911_100000204255 [0,1,0,0,0,1|1,0,0]=3 3381 B15R1.1091 COC(=O)CCSCc1ncccc1C 62a_100000204255_100000696600 [0,1,0,0,0,1|1,0,0]=3 3382 B15R1.1091 COC(=O)CCSCc1ncccc1C 62a_100000696600_100000204255 [0,1,0,0,0,1|1,0,0]=3 3383 B15R1.1091 COC(=O)CCSCc1ncccc1Cl 62a_100000099807_100000204255 [0,1,0,0,0,1|1,0,0]=3 3384 B15R1.1091 COC(=O)CCSCc1ncccc1Cl 62a_100000204255_100000099807 [0,1,0,0,0,1|1,0,0]=3 3385 B15R1.1091 COC(=O)CCSCc1ncccc1F 62a_100000104219_100000204255 [0,1,0,0,0,1|1,0,0]=3 3386 B15R1.1091 COC(=O)CCSCc1ncccc1F 62a_100000204255_100000104219 [0,1,0,0,0,1|1,0,0]=3 3387 B15R1.1091 COC(=O)CCSCc1ncccc1O 62a_100000204255_200020655725 [0,1,0,0,0,1|1,0,0]=3 3388 B15R1.1091 COC(=O)CCSCc1ncccc1O 62a_200020655725_100000204255 [0,1,0,0,0,1|1,0,0]=3 3389 B15R1.1091 COC(=O)OCSCc1ccccc1Br 62a_100000184730_100000139417 [0,1,0,0,0,1|2,0,0]=4 3390 B15R1.1091 COC(=O)OCSCc1ccccc1C 62a_100000211839_100000139417 [0,1,0,0,0,1|2,0,0]=4 3391 B15R1.1091 COC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000139417 [0,1,0,0,0,1|2,0,0]=4 3392 B15R1.1091 COC(=O)OCSCc1ccccc1F 62a_100000211605_100000139417 [0,1,0,0,0,1|2,0,0]=4 3393 B15R1.1091 COC(=O)OCSCc1ccccc1I 62a_100011216222_100000139417 [0,1,0,0,0,1|2,0,0]=4 3394 B15R1.1091 COC(=O)OCSCc1cccnc1Br 62a_100010140945_100000139417 [0,1,0,0,0,1|2,0,0]=4 3395 B15R1.1091 COC(=O)OCSCc1cccnc1C 62a_100000732876_100000139417 [0,1,0,0,0,1|2,0,0]=4 3396 B15R1.1091 COC(=O)OCSCc1cccnc1Cl 62a_100000045678_100000139417 [0,1,0,0,0,1|2,0,0]=4 3397 B15R1.1091 COC(=O)OCSCc1cccnc1F 62a_100000099810_100000139417 [0,1,0,0,0,1|2,0,0]=4 3398 B15R1.1091 COC(=O)OCSCc1ccncc1C 62a_100020672808_100000139417 [0,1,0,0,0,1|2,0,0]=4 3399 B15R1.1091 COC(=O)OCSCc1ccncc1Cl 62a_100000763264_100000139417 [0,1,0,0,0,1|2,0,0]=4 3400 B15R1.1091 COC(=O)OCSCc1cnccc1C 62a_100000690890_100000139417 [0,1,0,0,0,1|2,0,0]=4 3401 B15R1.1091 COC(=O)OCSCc1ncccc1Br 62a_100025702911_100000139417 [0,1,0,0,0,1|2,0,0]=4 3402 B15R1.1091 COC(=O)OCSCc1ncccc1C 62a_100000696600_100000139417 [0,1,0,0,0,1|2,0,0]=4 3403 B15R1.1091 COC(=O)OCSCc1ncccc1Cl 62a_100000099807_100000139417 [0,1,0,0,0,1|2,0,0]=4 3404 B15R1.1091 COC(=O)OCSCc1ncccc1F 62a_100000104219_100000139417 [0,1,0,0,0,1|2,0,0]=4 3405 B15R1.1091 COC(=O)OCSCc1ncccc1O 62a_200020655725_100000139417 [0,1,0,0,0,1|2,0,0]=4 3406 B15R1.1321 C=C(CSCc1ccccc1)C(=O)OC 62a_100000211182_100009813391 [0,1,0,0,0,1|1,0,1]=4 3407 B15R1.1321 C=C(CSCc1ccccc1)C(=O)OC 62a_100009813391_100015291786 [0,1,0,0,0,1|1,0,1]=4 3408 B15R1.1321 C=C(CSCc1ccccn1)C(=O)OC 62a_100000721315_100009813391 [0,1,0,0,0,1|1,0,1]=4 3409 B15R1.1321 C=C(CSCc1ccccn1)C(=O)OC 62a_100009813391_100000721315 [0,1,0,0,0,1|1,0,1]=4 3410 B15R1.1321 C=C(CSCc1cccnc1)C(=O)OC 62a_100000741622_100009813391 [0,1,0,0,0,1|1,0,1]=4 3411 B15R1.1321 C=C(CSCc1cccnc1)C(=O)OC 62a_100009813391_100000741622 [0,1,0,0,0,1|1,0,1]=4 3412 B15R1.1321 C=C(CSCc1cccnn1)C(=O)OC 62a_100009813391_100016990269 [0,1,0,0,0,1|1,0,1]=4 3413 B15R1.1321 C=C(CSCc1cccnn1)C(=O)OC 62a_100016990269_100009813391 [0,1,0,0,0,1|1,0,1]=4 3414 B15R1.1321 C=C(CSCc1ccncc1)C(=O)OC 62a_100009813391_100015193705 [0,1,0,0,0,1|1,0,1]=4 3415 B15R1.1321 C=C(CSCc1ccncc1)C(=O)OC 62a_100015193705_100009813391 [0,1,0,0,0,1|1,0,1]=4 3416 B15R1.1321 C=C(CSCc1cnccn1)C(=O)OC 62a_100009813391_100016995436 [0,1,0,0,0,1|1,0,1]=4 3417 B15R1.1321 C=C(CSCc1cnccn1)C(=O)OC 62a_100016995436_100009813391 [0,1,0,0,0,1|1,0,1]=4 3418 B15R1.1321 C=C(CSCc1ncccn1)C(=O)OC 62a_100000703007_100009813391 [0,1,0,0,0,1|1,0,1]=4 3419 B15R1.1321 C=C(CSCc1ncccn1)C(=O)OC 62a_100009813391_100000703007 [0,1,0,0,0,1|1,0,1]=4 3420 B15R1.1321 COC(=O)C(=O)CSCc1ccccc1 62a_100000211182_100011610305 [0,1,0,0,0,1|1,0,1]=4 3421 B15R1.1321 COC(=O)C(=O)CSCc1ccccc1 62a_100011610305_100015291786 [0,1,0,0,0,1|1,0,1]=4 3422 B15R1.1321 COC(=O)C(=O)CSCc1ccccn1 62a_100000721315_100011610305 [0,1,0,0,0,1|1,0,1]=4 3423 B15R1.1321 COC(=O)C(=O)CSCc1ccccn1 62a_100011610305_100000721315 [0,1,0,0,0,1|1,0,1]=4 3424 B15R1.1321 COC(=O)C(=O)CSCc1cccnc1 62a_100000741622_100011610305 [0,1,0,0,0,1|1,0,1]=4 3425 B15R1.1321 COC(=O)C(=O)CSCc1cccnc1 62a_100011610305_100000741622 [0,1,0,0,0,1|1,0,1]=4 3426 B15R1.1321 COC(=O)C(=O)CSCc1cccnn1 62a_100011610305_100016990269 [0,1,0,0,0,1|1,0,1]=4 3427 B15R1.1321 COC(=O)C(=O)CSCc1cccnn1 62a_100016990269_100011610305 [0,1,0,0,0,1|1,0,1]=4 3428 B15R1.1321 COC(=O)C(=O)CSCc1ccncc1 62a_100011610305_100015193705 [0,1,0,0,0,1|1,0,1]=4 3429 B15R1.1321 COC(=O)C(=O)CSCc1ccncc1 62a_100015193705_100011610305 [0,1,0,0,0,1|1,0,1]=4 3430 B15R1.1321 COC(=O)C(=O)CSCc1cnccn1 62a_100011610305_100016995436 [0,1,0,0,0,1|1,0,1]=4 3431 B15R1.1321 COC(=O)C(=O)CSCc1cnccn1 62a_100016995436_100011610305 [0,1,0,0,0,1|1,0,1]=4 3432 B15R1.1321 COC(=O)C(=O)CSCc1ncccn1 62a_100000703007_100011610305 [0,1,0,0,0,1|1,0,1]=4 3433 B15R1.1321 COC(=O)C(=O)CSCc1ncccn1 62a_100011610305_100000703007 [0,1,0,0,0,1|1,0,1]=4 3434 B15R1.1321 COC(=O)C(C)CNCc1ccccc1 34a_100015324214_100000698445 [0,1,0,0,0,1|2,0,0]=4 3435 B15R1.1321 COC(=O)C(C)COCc1ccccc1 34a_100000210790_100000698445 [0,1,0,0,0,1|1,1,0]=4 3436 B15R1.1321 COC(=O)C(C)COCc1ccccc1 34a_100000749362_100015291786 [0,1,0,0,0,1|1,1,0]=4 3437 B15R1.1321 COC(=O)C(C)COCc1ccccc1 7a_100000749362_100000211182 [0,1,0,0,0,1|1,1,0]=4 3438 B15R1.1321 COC(=O)C(C)COCc1ccccn1 34a_100000749362_100000721315 [0,1,0,0,0,1|1,1,0]=4 3439 B15R1.1321 COC(=O)C(C)COCc1ccccn1 7a_100000749362_100000721315 [0,1,0,0,0,1|1,1,0]=4 3440 B15R1.1321 COC(=O)C(C)COCc1cccnc1 34a_100000749362_100000733263 [0,1,0,0,0,1|1,1,0]=4 3441 B15R1.1321 COC(=O)C(C)COCc1cccnc1 7a_100000749362_100000741622 [0,1,0,0,0,1|1,1,0]=4 3442 B15R1.1321 COC(=O)C(C)COCc1cccnn1 34a_100000749362_100016990269 [0,1,0,0,0,1|1,1,0]=4 3443 B15R1.1321 COC(=O)C(C)COCc1cccnn1 7a_100000749362_100016990269 [0,1,0,0,0,1|1,1,0]=4 3444 B15R1.1321 COC(=O)C(C)COCc1ccncc1 7a_100000749362_100015193705 [0,1,0,0,0,1|1,1,0]=4 3445 B15R1.1321 COC(=O)C(C)COCc1cnccn1 34a_100000749362_100016995436 [0,1,0,0,0,1|1,1,0]=4 3446 B15R1.1321 COC(=O)C(C)COCc1cnccn1 7a_100000749362_100016995436 [0,1,0,0,0,1|1,1,0]=4 3447 B15R1.1321 COC(=O)C(C)COCc1ncccn1 34a_100000749362_100000703007 [0,1,0,0,0,1|1,1,0]=4 3448 B15R1.1321 COC(=O)C(C)COCc1ncccn1 7a_100000749362_100000703007 [0,1,0,0,0,1|1,1,0]=4 3449 B15R1.1321 COC(=O)C(C)CSCc1ccccc1 62a_100000211182_100000698445 [0,1,0,0,0,1|1,0,0]=3 3450 B15R1.1321 COC(=O)C(C)CSCc1ccccc1 62a_100000698445_100015291786 [0,1,0,0,0,1|1,0,0]=3 3451 B15R1.1321 COC(=O)C(C)CSCc1ccccn1 62a_100000698445_100000721315 [0,1,0,0,0,1|1,0,0]=3 3452 B15R1.1321 COC(=O)C(C)CSCc1ccccn1 62a_100000721315_100000698445 [0,1,0,0,0,1|1,0,0]=3 3453 B15R1.1321 COC(=O)C(C)CSCc1cccnc1 62a_100000698445_100000741622 [0,1,0,0,0,1|1,0,0]=3 3454 B15R1.1321 COC(=O)C(C)CSCc1cccnc1 62a_100000741622_100000698445 [0,1,0,0,0,1|1,0,0]=3 3455 B15R1.1321 COC(=O)C(C)CSCc1cccnn1 62a_100000698445_100016990269 [0,1,0,0,0,1|1,0,0]=3 3456 B15R1.1321 COC(=O)C(C)CSCc1cccnn1 62a_100016990269_100000698445 [0,1,0,0,0,1|1,0,0]=3 3457 B15R1.1321 COC(=O)C(C)CSCc1ccncc1 62a_100000698445_100015193705 [0,1,0,0,0,1|1,0,0]=3 3458 B15R1.1321 COC(=O)C(C)CSCc1ccncc1 62a_100015193705_100000698445 [0,1,0,0,0,1|1,0,0]=3 3459 B15R1.1321 COC(=O)C(C)CSCc1cnccn1 62a_100000698445_100016995436 [0,1,0,0,0,1|1,0,0]=3 3460 B15R1.1321 COC(=O)C(C)CSCc1cnccn1 62a_100016995436_100000698445 [0,1,0,0,0,1|1,0,0]=3 3461 B15R1.1321 COC(=O)C(C)CSCc1cncnc1 62a_100000698445_100015196519 [0,1,0,0,0,1|2,0,0]=4 3462 B15R1.1321 COC(=O)C(C)CSCc1cncnc1 62a_100015196519_100000698445 [0,1,0,0,0,1|2,0,0]=4 3463 B15R1.1321 COC(=O)C(C)CSCc1ncccn1 62a_100000698445_100000703007 [0,1,0,0,0,1|1,0,0]=3 3464 B15R1.1321 COC(=O)C(C)CSCc1ncccn1 62a_100000703007_100000698445 [0,1,0,0,0,1|1,0,0]=3 3465 B15R1.1321 COC(=O)C(F)COCc1ccccc1 34a_200009849844_100015291786 [0,1,0,0,0,1|1,1,0]=4 3466 B15R1.1321 COC(=O)C(F)COCc1ccccn1 34a_200009849844_100000721315 [0,1,0,0,0,1|1,1,0]=4 3467 B15R1.1321 COC(=O)C(F)COCc1cccnc1 34a_200009849844_100000733263 [0,1,0,0,0,1|1,1,0]=4 3468 B15R1.1321 COC(=O)C(F)COCc1cccnn1 34a_200009849844_100016990269 [0,1,0,0,0,1|1,1,0]=4 3469 B15R1.1321 COC(=O)C(F)COCc1cnccn1 34a_200009849844_100016995436 [0,1,0,0,0,1|1,1,0]=4 3470 B15R1.1321 COC(=O)C(F)COCc1ncccn1 34a_200009849844_100000703007 [0,1,0,0,0,1|1,1,0]=4 3471 B15R1.1321 COC(=O)[C@H](N)COCc1ccccc1 34a_100000003586_100015291786 [0,1,0,0,0,1|1,1,0]=4 3472 B15R1.1321 COC(=O)[C@H](N)COCc1ccccn1 34a_100000003586_100000721315 [0,1,0,0,0,1|1,1,0]=4 3473 B15R1.1321 COC(=O)[C@H](N)COCc1cccnc1 34a_100000003586_100000733263 [0,1,0,0,0,1|1,1,0]=4 3474 B15R1.1321 COC(=O)[C@H](N)COCc1cccnn1 34a_100000003586_100016990269 [0,1,0,0,0,1|1,1,0]=4 3475 B15R1.1321 COC(=O)[C@H](N)COCc1cnccn1 34a_100000003586_100016995436 [0,1,0,0,0,1|1,1,0]=4 3476 B15R1.1321 COC(=O)[C@H](N)COCc1ncccn1 34a_100000003586_100000703007 [0,1,0,0,0,1|1,1,0]=4 3477 B15R1.3664 C=C(C)C(=O)CCSCc1ccccc1 1458a_100000185857_200011297719 [0,1,0,0,0,1|2,0,0]=4 3478 B15R1.3664 CC(C)C(=O)CCSCc1ccccc1 1458a_100000173759_100000210206 [0,1,0,0,0,1|2,0,0]=4 3479 B15R1.3664 CC(C)C(=O)CCSCc1ccccc1 1458a_100000210198_200011297719 [0,1,0,0,0,1|2,0,0]=4 3480 B15R1.3664 CC(C)C(=O)CCSCc1ccccn1 1458a_100000742633_100000210206 [0,1,0,0,0,1|2,0,0]=4 3481 B15R1.3664 CC(F)C(=O)CCSCc1ccccc1 1458a_100000062450_200011297719 [0,1,0,0,0,1|2,0,0]=4 3482 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 11a_100102631434_100000173759 [0,1,0,0,0,1|2,0,0]=4 3483 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 1626a_100102631434_100000173759 [0,1,0,0,0,1|2,0,0]=4 3484 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 240690a_100102631434_100000173759 [0,1,0,0,0,1|2,0,0]=4 3485 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 527a_100102631434_100000173759 [0,1,0,0,0,1|2,0,0]=4 3486 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 62a_100000211182_100000737620 [0,1,0,0,0,1|2,0,0]=4 3487 B15R1.3664 CN(C)C(=O)CCSCc1ccccc1 62a_100000737620_100015291786 [0,1,0,0,0,1|2,0,0]=4 3488 B15R1.3664 CN(C)C(=O)CCSCc1ccccn1 11a_100102631434_100000742633 [0,1,0,0,0,1|2,0,0]=4 3489 B15R1.3664 CN(C)C(=O)CCSCc1ccccn1 1626a_100102631434_100000742633 [0,1,0,0,0,1|2,0,0]=4 3490 B15R1.3664 CN(C)C(=O)CCSCc1ccccn1 240690a_100102631434_100000742633 [0,1,0,0,0,1|2,0,0]=4 3491 B15R1.3664 CN(C)C(=O)CCSCc1ccccn1 62a_100000721315_100000737620 [0,1,0,0,0,1|2,0,0]=4 3492 B15R1.3664 CN(C)C(=O)CCSCc1ccccn1 62a_100000737620_100000721315 [0,1,0,0,0,1|2,0,0]=4 3493 B15R1.3664 CN(C)C(=O)CCSCc1cccnc1 62a_100000737620_100000741622 [0,1,0,0,0,1|2,0,0]=4 3494 B15R1.3664 CN(C)C(=O)CCSCc1cccnc1 62a_100000741622_100000737620 [0,1,0,0,0,1|2,0,0]=4 3495 B15R1.3664 CN(C)C(=O)CCSCc1cccnn1 62a_100000737620_100016990269 [0,1,0,0,0,1|2,0,0]=4 3496 B15R1.3664 CN(C)C(=O)CCSCc1cccnn1 62a_100016990269_100000737620 [0,1,0,0,0,1|2,0,0]=4 3497 B15R1.3664 CN(C)C(=O)CCSCc1ccncc1 62a_100000737620_100015193705 [0,1,0,0,0,1|2,0,0]=4 3498 B15R1.3664 CN(C)C(=O)CCSCc1ccncc1 62a_100015193705_100000737620 [0,1,0,0,0,1|2,0,0]=4 3499 B15R1.3664 CN(C)C(=O)CCSCc1cnccn1 62a_100000737620_100016995436 [0,1,0,0,0,1|2,0,0]=4 3500 B15R1.3664 CN(C)C(=O)CCSCc1cnccn1 62a_100016995436_100000737620 [0,1,0,0,0,1|2,0,0]=4 3501 B15R1.3664 CN(C)C(=O)CCSCc1ncccn1 62a_100000703007_100000737620 [0,1,0,0,0,1|2,0,0]=4 3502 B15R1.3664 CN(C)C(=O)CCSCc1ncccn1 62a_100000737620_100000703007 [0,1,0,0,0,1|2,0,0]=4 3503 B15R1.3664 C[C@@H](O)C(=O)CCSCc1ccccc1 1458a_100000717761_200011297719 [0,1,0,0,0,1|2,0,0]=4 3504 B15R1.3664 C[C@H](O)C(=O)CCSCc1ccccc1 1458a_217856618621_200011297719 [0,1,0,0,0,1|2,0,0]=4 3505 B15R1.329 CCS(=O)(=O)NCCSCc1ccco1 270084a_100000184675_100000211323 [0,1,0,0,0,1|2,0,0]=4 3506 B15R1.329 CCS(=O)(=O)NCCSCc1ccco1 274078a_100000184675_100000211323 [0,1,0,0,0,1|2,0,0]=4 3507 B15R1.329 CCS(=O)(=O)NCCSCc1ccco1 40a_100000184675_100000053943 [0,1,0,0,0,1|2,0,0]=4 3508 B15R1.739 COC(=O)CC(=O)CCCc1cccs1 1458a_100000184482_100000747449 [0,1,0,0,0,1|1,1,0]=4 3509 B15R1.739 COC(=O)CC(=O)CCCc1cccs1 1458a_100000211351_100010992444 [0,1,0,0,0,1|1,1,0]=4 3510 B15R1.739 COC(=O)CC(=O)CSCc1c[nH]cn1 62a_100000210525_100000707719 [0,1,0,0,0,1|2,0,0]=4 3511 B15R1.739 COC(=O)CC(=O)CSCc1c[nH]cn1 62a_100000707719_100000210525 [0,1,0,0,0,1|2,0,0]=4 3512 B15R1.739 COC(=O)CC(=O)CSCc1ccn[nH]1 62a_100000210525_100000728653 [0,1,0,0,0,1|2,0,0]=4 3513 B15R1.739 COC(=O)CC(=O)CSCc1ccn[nH]1 62a_100000728653_100000210525 [0,1,0,0,0,1|2,0,0]=4 3514 B15R1.739 COC(=O)CC(=O)CSCc1ccon1 62a_100000210525_100000234950 [0,1,0,0,0,1|2,0,0]=4 3515 B15R1.739 COC(=O)CC(=O)CSCc1ccon1 62a_100000234950_100000210525 [0,1,0,0,0,1|2,0,0]=4 3516 B15R1.739 COC(=O)CC(=O)CSCc1ccsc1 62a_100000210525_100011233845 [0,1,0,0,0,1|2,0,0]=4 3517 B15R1.739 COC(=O)CC(=O)CSCc1ccsc1 62a_100011261437_100000210525 [0,1,0,0,0,1|2,0,0]=4 3518 B15R1.739 COC(=O)CC(=O)CSCc1cncs1 62a_100000210525_100015185245 [0,1,0,0,0,1|1,1,0]=4 3519 B15R1.739 COC(=O)CC(=O)CSCc1cncs1 62a_100015185245_100000210525 [0,1,0,0,0,1|1,1,0]=4 3520 B15R1.739 COC(=O)CC(=O)CSCc1cscn1 62a_100000205941_100000210525 [0,1,0,0,0,1|2,0,0]=4 3521 B15R1.739 COC(=O)CC(=O)CSCc1cscn1 62a_100000210525_100000205941 [0,1,0,0,0,1|2,0,0]=4 3522 B15R1.739 COC(=O)CC(=O)CSCc1ncc[nH]1 62a_100000210525_100016991755 [0,1,0,0,0,1|2,0,0]=4 3523 B15R1.739 COC(=O)CC(=O)CSCc1ncc[nH]1 62a_100016991755_100000210525 [0,1,0,0,0,1|2,0,0]=4 3524 B15R1.739 COC(=O)CC(=O)CSCc1ncco1 62a_100000210525_103436540062 [0,1,0,0,0,1|1,0,0]=3 3525 B15R1.739 COC(=O)CC(=O)CSCc1ncco1 62a_103436540062_100000210525 [0,1,0,0,0,1|1,0,0]=3 3526 B15R1.739 COC(=O)CC(=O)CSCc1nccs1 62a_100000210525_100015184050 [0,1,0,0,0,1|1,1,0]=4 3527 B15R1.739 COC(=O)CC(=O)CSCc1nccs1 62a_100015184050_100000210525 [0,1,0,0,0,1|1,1,0]=4 3528 B15R1.739 COC(=O)CC(=O)NCCc1ccco1 240690a_100000694680_100000211351 [0,1,0,0,0,1|1,0,1]=4 3529 B15R1.739 COC(=O)CC(C)NCCc1ccco1 2230a_100000694680_100009817358 [0,1,0,0,0,1|1,0,0]=3 3530 B15R1.739 COC(=O)CC(C)NCCc1ccco1 34a_100000694680_100009817358 [0,1,0,0,0,1|1,0,0]=3 3531 B15R1.739 COC(=O)CC(C)NCCc1cccs1 2230a_100000203755_100009817358 [0,1,0,0,0,1|1,1,0]=4 3532 B15R1.739 COC(=O)CC(C)NCCc1cccs1 34a_100000203755_100009817358 [0,1,0,0,0,1|1,1,0]=4 3533 B15R1.739 COC(=O)CC(C)OCCc1cccs1 34a_100011216825_100009817358 [0,1,0,0,0,1|0,2,0]=4 3534 B15R1.739 COC(=O)CC(C)OCCc1cccs1 7a_100011216825_100009817358 [0,1,0,0,0,1|0,2,0]=4 3535 B15R1.739 COC(=O)CC(C)SCCc1c[nH]cn1 62a_100009817358_100020628418 [0,1,0,0,0,1|2,0,0]=4 3536 B15R1.739 COC(=O)CC(C)SCCc1c[nH]cn1 62a_100020628418_100009817358 [0,1,0,0,0,1|2,0,0]=4 3537 B15R1.739 COC(=O)CC(C)SCCc1cccs1 62a_100000748579_100009817358 [0,1,0,0,0,1|0,1,0]=3 3538 B15R1.739 COC(=O)CC(C)SCCc1cccs1 62a_100009817358_100000748579 [0,1,0,0,0,1|0,1,0]=3 3539 B15R1.739 COC(=O)CC(C)SCCn1cccc1 62a_100009817358_200000035178 [0,1,0,0,0,1|2,0,0]=4 3540 B15R1.739 COC(=O)CC(C)SCCn1cccc1 62a_200009811947_100009817358 [0,1,0,0,0,1|2,0,0]=4 3541 B15R1.739 COC(=O)CC(C)SCCn1cccn1 62a_100009817358_100000685285 [0,1,0,0,0,1|2,0,0]=4 3542 B15R1.739 COC(=O)CC(C)SCCn1cccn1 62a_100015204718_100009817358 [0,1,0,0,0,1|2,0,0]=4 3543 B15R1.739 COC(=O)CN(C)CC=Cc1ccco1 270004a_100000198492_100000185671 [0,1,0,0,0,1|1,0,1]=4 3544 B15R1.739 COC(=O)CN(C)CCCc1cccs1 2230a_100000198492_100010992444 [0,1,0,0,0,1|1,1,0]=4 3545 B15R1.739 COC(=O)C[C@@H](O)CNCc1ccco1 34a_100000185738_100000754131 [0,1,0,0,0,1|1,0,0]=3 3546 B15R1.739 COC(=O)C[C@@H](O)COCc1ccco1 34a_100000210059_100000754131 [0,1,0,0,0,1|0,1,0]=3 3547 B15R1.739 COC(=O)C[C@@H](O)COCc1cccs1 34a_100000211240_100000754131 [0,1,0,0,0,1|0,2,0]=4 3548 B15R1.739 COC(=O)C[C@@H](O)COCc1ccno1 34a_100000740478_100000754131 [0,1,0,0,0,1|1,1,0]=4 3549 B15R1.739 COC(=O)C[C@@H](O)COCc1ncco1 34a_100000062594_100000754131 [0,1,0,0,0,1|1,1,0]=4 3550 B15R1.739 COC(=O)C[C@@H](O)CSCc1c[nH]cn1 62a_100000707719_100000754131 [0,1,0,0,0,1|2,0,0]=4 3551 B15R1.739 COC(=O)C[C@@H](O)CSCc1c[nH]cn1 62a_100000754131_100000707719 [0,1,0,0,0,1|2,0,0]=4 3552 B15R1.739 COC(=O)C[C@@H](O)CSCc1ccn[nH]1 62a_100000728653_100000754131 [0,1,0,0,0,1|2,0,0]=4 3553 B15R1.739 COC(=O)C[C@@H](O)CSCc1ccn[nH]1 62a_100000754131_100000728653 [0,1,0,0,0,1|2,0,0]=4 3554 B15R1.739 COC(=O)C[C@@H](O)CSCc1ccon1 62a_100000234950_100000754131 [0,1,0,0,0,1|2,0,0]=4 3555 B15R1.739 COC(=O)C[C@@H](O)CSCc1ccon1 62a_100000754131_100000234950 [0,1,0,0,0,1|2,0,0]=4 3556 B15R1.739 COC(=O)C[C@@H](O)CSCc1ccsc1 62a_100000754131_100011233845 [0,1,0,0,0,1|2,0,0]=4 3557 B15R1.739 COC(=O)C[C@@H](O)CSCc1ccsc1 62a_100011261437_100000754131 [0,1,0,0,0,1|2,0,0]=4 3558 B15R1.739 COC(=O)C[C@@H](O)CSCc1cncs1 62a_100000754131_100015185245 [0,1,0,0,0,1|1,1,0]=4 3559 B15R1.739 COC(=O)C[C@@H](O)CSCc1cncs1 62a_100015185245_100000754131 [0,1,0,0,0,1|1,1,0]=4 3560 B15R1.739 COC(=O)C[C@@H](O)CSCc1cscn1 62a_100000205941_100000754131 [0,1,0,0,0,1|2,0,0]=4 3561 B15R1.739 COC(=O)C[C@@H](O)CSCc1cscn1 62a_100000754131_100000205941 [0,1,0,0,0,1|2,0,0]=4 3562 B15R1.739 COC(=O)C[C@@H](O)CSCc1ncc[nH]1 62a_100000754131_100016991755 [0,1,0,0,0,1|2,0,0]=4 3563 B15R1.739 COC(=O)C[C@@H](O)CSCc1ncc[nH]1 62a_100016991755_100000754131 [0,1,0,0,0,1|2,0,0]=4 3564 B15R1.739 COC(=O)C[C@@H](O)CSCc1ncco1 62a_100000754131_103436540062 [0,1,0,0,0,1|1,0,0]=3 3565 B15R1.739 COC(=O)C[C@@H](O)CSCc1ncco1 62a_103436540062_100000754131 [0,1,0,0,0,1|1,0,0]=3 3566 B15R1.739 COC(=O)C[C@@H](O)CSCc1nccs1 62a_100000754131_100015184050 [0,1,0,0,0,1|1,1,0]=4 3567 B15R1.739 COC(=O)C[C@@H](O)CSCc1nccs1 62a_100015184050_100000754131 [0,1,0,0,0,1|1,1,0]=4 3568 B15R1.739 COC(=O)NC(=O)CSCc1ncco1 62a_103436540062_100000010850 [0,1,0,0,0,1|1,0,1]=4 3569 B15R1.795 C#CCC(=O)NCCSCc1ccco1 527a_100000184675_100011220946 [0,1,0,0,0,1|1,0,1]=4 3570 B15R1.795 C=CCC(=O)NCCSCc1ccco1 11a_100000184675_100000210193 [0,1,0,0,0,1|1,0,1]=4 3571 B15R1.795 C=CCC(=O)NCCSCc1ccco1 240690a_100000184675_100000210193 [0,1,0,0,0,1|1,0,1]=4 3572 B15R1.795 C=CCC(=O)NCCSCc1ccco1 527a_100000184675_100000210193 [0,1,0,0,0,1|1,0,1]=4 3573 B15R1.795 CC=CC(=O)NCCSCc1ccco1 11a_100000184675_100000210699 [0,1,0,0,0,1|1,0,0]=3 3574 B15R1.795 CC=CC(=O)NCCSCc1ccco1 240690a_100000184675_100000210699 [0,1,0,0,0,1|1,0,0]=3 3575 B15R1.795 CCCC(=O)NCCSCc1ccco1 11a_100000184675_100000211992 [0,1,0,0,0,1|1,0,0]=3 3576 B15R1.795 CCCC(=O)NCCSCc1ccco1 240690a_100000184675_100000211992 [0,1,0,0,0,1|1,0,0]=3 3577 B15R1.795 CCCC(=O)NCCSCc1ccco1 527a_100000184675_100000211992 [0,1,0,0,0,1|1,0,0]=3 3578 B15R1.795 CCNC(=O)CCNCCc1ccco1 2230a_100000694680_100000737597 [0,1,0,0,0,1|2,0,0]=4 3579 B15R1.795 CCNC(=O)CCSCCc1cccs1 62a_100000737597_100000748579 [0,1,0,0,0,1|1,1,0]=4 3580 B15R1.795 CCNC(=O)CCSCCc1cccs1 62a_100000748579_100000737597 [0,1,0,0,0,1|1,1,0]=4 3581 B15R1.795 CCNC(=O)NCCSCc1ccco1 2708a_100000184675_100015525214 [0,1,0,0,0,1|1,0,0]=3 3582 B15R1.795 CCNC(=O)NCCSCc1ccco1 2708a_100015525214_100000184675 [0,1,0,0,0,1|1,0,0]=3 3583 B15R1.795 CCNC(=O)NCCSCc1ccco1 273464a_100000184675_100015525214 [0,1,0,0,0,1|1,0,0]=3 3584 B15R1.795 CCNC(=O)NCCSCc1ccco1 273464a_100015525214_100000184675 [0,1,0,0,0,1|1,0,0]=3 3585 B15R1.795 CCNC(=O)NCCSCc1ccco1 512a_100000184675_100015525214 [0,1,0,0,0,1|1,0,0]=3 3586 B15R1.795 CCNC(=O)NCCSCc1ccco1 512a_100015525214_100000184675 [0,1,0,0,0,1|1,0,0]=3 3587 B15R1.795 CCOC(=O)/C=C/CNCc1ccco1 2230a_100000185738_100016267167 [0,1,0,0,0,1|1,0,1]=4 3588 B15R1.795 CCOC(=O)/C=C/CNCc1ccco1 34a_100000185738_100016267167 [0,1,0,0,0,1|1,0,1]=4 3589 B15R1.795 CCOC(=O)/C=C/COCc1ccco1 34a_100000210059_100016267167 [0,1,0,0,0,1|0,1,1]=4 3590 B15R1.795 CCOC(=O)/C=C/CSCc1ncco1 62a_100016267167_103436540062 [0,1,0,0,0,1|1,0,1]=4 3591 B15R1.795 CCOC(=O)/C=C/CSCc1ncco1 62a_103436540062_100016267167 [0,1,0,0,0,1|1,0,1]=4 3592 B15R1.795 CCOC(=O)CCCCSc1ccco1 62a_100000750268_100009814098 [0,1,0,0,0,1|1,0,0]=3 3593 B15R1.795 CCOC(=O)CCCCSc1ccco1 62a_100009814098_100000750268 [0,1,0,0,0,1|1,0,0]=3 3594 B15R1.795 CCOC(=O)CCCCSc1cccs1 62a_100000750268_100011215356 [0,1,0,0,0,1|1,1,0]=4 3595 B15R1.795 CCOC(=O)CCCCSc1cccs1 62a_100011215356_100000750268 [0,1,0,0,0,1|1,1,0]=4 3596 B15R1.795 CCOC(=O)CCCCSc1cnco1 62a_100000750268_100020591547 [0,1,0,0,0,1|2,0,0]=4 3597 B15R1.795 CCOC(=O)CCCCSc1cnco1 62a_100020591547_100000750268 [0,1,0,0,0,1|2,0,0]=4 3598 B15R1.795 CCOC(=O)CCCCSc1ncco1 62a_100000750268_100011787736 [0,1,0,0,0,1|2,0,0]=4 3599 B15R1.795 CCOC(=O)CCCCSc1ncco1 62a_100011787736_100000750268 [0,1,0,0,0,1|2,0,0]=4 3600 B15R1.795 CCOC(=O)CCCNCc1ccco1 2230a_100000185738_100009991533 [0,1,0,0,0,1|1,0,0]=3 3601 B15R1.795 CCOC(=O)CCCNCc1ccco1 34a_100000185738_100009991533 [0,1,0,0,0,1|1,0,0]=3 3602 B15R1.795 CCOC(=O)CCCNCc1cccs1 2230a_100000211653_100009991533 [0,1,0,0,0,1|1,1,0]=4 3603 B15R1.795 CCOC(=O)CCCNCc1ncco1 2230a_100016994969_100009991533 [0,1,0,0,0,1|2,0,0]=4 3604 B15R1.795 CCOC(=O)CCCOCc1ccco1 34a_100000210059_100009991533 [0,1,0,0,0,1|0,1,0]=3 3605 B15R1.795 CCOC(=O)CCCOCc1cccs1 34a_100000211240_100009991533 [0,1,0,0,0,1|0,2,0]=4 3606 B15R1.795 CCOC(=O)CCCOCc1ccno1 34a_100000740478_100009991533 [0,1,0,0,0,1|1,1,0]=4 3607 B15R1.795 CCOC(=O)CCCOCc1ncco1 34a_100000062594_100009991533 [0,1,0,0,0,1|1,1,0]=4 3608 B15R1.795 CCOC(=O)CCCOCc1ncco1 7a_100012001163_103436540062 [0,1,0,0,0,1|1,1,0]=4 3609 B15R1.795 CCOC(=O)CCCSCc1c[nH]cn1 62a_100000707719_100009991533 [0,1,0,0,0,1|2,0,0]=4 3610 B15R1.795 CCOC(=O)CCCSCc1c[nH]cn1 62a_100009991533_100000707719 [0,1,0,0,0,1|2,0,0]=4 3611 B15R1.795 CCOC(=O)CCCSCc1ccn[nH]1 62a_100000728653_100009991533 [0,1,0,0,0,1|2,0,0]=4 3612 B15R1.795 CCOC(=O)CCCSCc1ccn[nH]1 62a_100009991533_100000728653 [0,1,0,0,0,1|2,0,0]=4 3613 B15R1.795 CCOC(=O)CCCSCc1ccon1 62a_100000234950_100009991533 [0,1,0,0,0,1|2,0,0]=4 3614 B15R1.795 CCOC(=O)CCCSCc1ccon1 62a_100009991533_100000234950 [0,1,0,0,0,1|2,0,0]=4 3615 B15R1.795 CCOC(=O)CCCSCc1ccsc1 62a_100009991533_100011233845 [0,1,0,0,0,1|2,0,0]=4 3616 B15R1.795 CCOC(=O)CCCSCc1ccsc1 62a_100011261437_100009991533 [0,1,0,0,0,1|2,0,0]=4 3617 B15R1.795 CCOC(=O)CCCSCc1cncs1 62a_100009991533_100015185245 [0,1,0,0,0,1|1,1,0]=4 3618 B15R1.795 CCOC(=O)CCCSCc1cncs1 62a_100015185245_100009991533 [0,1,0,0,0,1|1,1,0]=4 3619 B15R1.795 CCOC(=O)CCCSCc1cscn1 62a_100000205941_100009991533 [0,1,0,0,0,1|2,0,0]=4 3620 B15R1.795 CCOC(=O)CCCSCc1cscn1 62a_100009991533_100000205941 [0,1,0,0,0,1|2,0,0]=4 3621 B15R1.795 CCOC(=O)CCCSCc1ncc[nH]1 62a_100009991533_100016991755 [0,1,0,0,0,1|2,0,0]=4 3622 B15R1.795 CCOC(=O)CCCSCc1ncc[nH]1 62a_100016991755_100009991533 [0,1,0,0,0,1|2,0,0]=4 3623 B15R1.795 CCOC(=O)CCCSCc1ncco1 62a_100009991533_103436540062 [0,1,0,0,0,1|1,0,0]=3 3624 B15R1.795 CCOC(=O)CCCSCc1ncco1 62a_103436540062_100009991533 [0,1,0,0,0,1|1,0,0]=3 3625 B15R1.795 CCOC(=O)CCCSCc1nccs1 62a_100009991533_100015184050 [0,1,0,0,0,1|1,1,0]=4 3626 B15R1.795 CCOC(=O)CCCSCc1nccs1 62a_100015184050_100009991533 [0,1,0,0,0,1|1,1,0]=4 3627 B15R1.795 CCOC(=O)CCNCCc1ccco1 2230a_100000694680_100011206558 [0,1,0,0,0,1|1,0,0]=3 3628 B15R1.795 CCOC(=O)CCNCCc1ccco1 34a_100000694680_100000765890 [0,1,0,0,0,1|1,0,0]=3 3629 B15R1.795 CCOC(=O)CCNCCc1cccs1 2230a_100000203755_100011206558 [0,1,0,0,0,1|1,1,0]=4 3630 B15R1.795 CCOC(=O)CCNCCc1cccs1 34a_100000203755_100000765890 [0,1,0,0,0,1|1,1,0]=4 3631 B15R1.795 CCOC(=O)CCOCCc1cccs1 34a_100011216825_100000765890 [0,1,0,0,0,1|0,2,0]=4 3632 B15R1.795 CCOC(=O)CCOCCc1cccs1 7a_100011216825_100011206558 [0,1,0,0,0,1|0,2,0]=4 3633 B15R1.795 CCOC(=O)CCSCCc1c[nH]cn1 62a_100000765890_100020628418 [0,1,0,0,0,1|2,0,0]=4 3634 B15R1.795 CCOC(=O)CCSCCc1c[nH]cn1 62a_100020628418_100000765890 [0,1,0,0,0,1|2,0,0]=4 3635 B15R1.795 CCOC(=O)CCSCCc1cccs1 62a_100000748579_100000765890 [0,1,0,0,0,1|0,1,0]=3 3636 B15R1.795 CCOC(=O)CCSCCc1cccs1 62a_100000765890_100000748579 [0,1,0,0,0,1|0,1,0]=3 3637 B15R1.795 CCOC(=O)CCSCCn1cccc1 62a_100000765890_200000035178 [0,1,0,0,0,1|2,0,0]=4 3638 B15R1.795 CCOC(=O)CCSCCn1cccc1 62a_200009811947_100000765890 [0,1,0,0,0,1|2,0,0]=4 3639 B15R1.795 CCOC(=O)CCSCCn1cccn1 62a_100000765890_100000685285 [0,1,0,0,0,1|2,0,0]=4 3640 B15R1.795 CCOC(=O)CCSCCn1cccn1 62a_100015204718_100000765890 [0,1,0,0,0,1|2,0,0]=4 3641 B15R1.795 CCOC(=O)COCCCc1cccs1 34a_100011713143_100000188475 [0,1,0,0,0,1|1,1,0]=4 3642 B15R1.795 CCOC(=O)COCCCc1cccs1 7a_100011713143_100000188475 [0,1,0,0,0,1|1,1,0]=4 3643 B15R1.795 CCOC(=O)COCCSc1ccco1 62a_100000088970_100009814098 [0,1,0,0,0,1|2,0,0]=4 3644 B15R1.795 CCOC(=O)COCCSc1ccco1 62a_100009814098_100000088970 [0,1,0,0,0,1|2,0,0]=4 3645 B15R1.795 CCOC(=O)CSCCCc1cccs1 62a_100000188475_100010992444 [0,1,0,0,0,1|1,1,0]=4 3646 B15R1.795 CCOC(=O)CSCCCc1cccs1 62a_100010992444_100000188475 [0,1,0,0,0,1|1,1,0]=4 3647 B15R1.795 CCOC(=O)NCCOCc1ncco1 34a_100000158857_103436540062 [0,1,0,0,0,1|1,1,0]=4 3648 B15R1.795 CCOC(=O)NCCSCc1c[nH]cn1 62a_100000707719_200011445536 [0,1,0,0,0,1|2,0,0]=4 3649 B15R1.795 CCOC(=O)NCCSCc1ccn[nH]1 62a_100000728653_200011445536 [0,1,0,0,0,1|2,0,0]=4 3650 B15R1.795 CCOC(=O)NCCSCc1ccon1 62a_100000234950_200011445536 [0,1,0,0,0,1|2,0,0]=4 3651 B15R1.795 CCOC(=O)NCCSCc1ccsc1 62a_100011261437_200011445536 [0,1,0,0,0,1|2,0,0]=4 3652 B15R1.795 CCOC(=O)NCCSCc1cncs1 62a_100015185245_200011445536 [0,1,0,0,0,1|1,1,0]=4 3653 B15R1.795 CCOC(=O)NCCSCc1cscn1 62a_100000205941_200011445536 [0,1,0,0,0,1|2,0,0]=4 3654 B15R1.795 CCOC(=O)NCCSCc1ncc[nH]1 62a_100016991755_200011445536 [0,1,0,0,0,1|2,0,0]=4 3655 B15R1.795 CCOC(=O)NCCSCc1ncco1 62a_103436540062_200011445536 [0,1,0,0,0,1|1,0,0]=3 3656 B15R1.795 CCOC(=O)NCCSCc1nccs1 62a_100015184050_200011445536 [0,1,0,0,0,1|1,1,0]=4 3657 B15R1.795 CCOC(=O)OCSCCc1cccs1 62a_100000748579_100000075025 [0,1,0,0,0,1|1,1,0]=4 3658 B15R1.795 CNNC(=O)NCCSCc1ccco1 273464a_100000184675_100016993582 [0,1,0,0,0,1|1,0,0]=3 3659 B15R1.795 CNNC(=O)NCCSCc1ccco1 512a_100000184675_100016993582 [0,1,0,0,0,1|1,0,0]=3 3660 B15R1.795 CNNC(=O)NCCSCc1ccco1 512a_100016993582_100000184675 [0,1,0,0,0,1|1,0,0]=3 3661 B15R1.795 COCC(=O)NCCSCc1ccco1 11a_100000184675_100000210968 [0,1,0,0,0,1|0,0,0]=2 3662 B15R1.795 COCC(=O)NCCSCc1ccco1 240690a_100000184675_100000210968 [0,1,0,0,0,1|0,0,0]=2 3663 B15R1.795 COCC(=O)NCCSCc1ccco1 527a_100000184675_100000210968 [0,1,0,0,0,1|0,0,0]=2 3664 B15R1.795 COCC(C)NCCSCc1ccco1 2230a_100000184675_100000765312 [0,1,0,0,0,1|1,0,1]=4 3665 B15R1.795 COCC(C)NCCSCc1ccco1 270004a_100000184675_100000749346 [0,1,0,0,0,1|1,0,1]=4 3666 B15R1.795 COCC(C)NCCSCc1ccco1 7a_100000184675_100000765312 [0,1,0,0,0,1|1,0,1]=4 3667 B15R1.795 CSCC(=O)NCCSCc1ccco1 11a_100000184675_100000184570 [0,1,0,0,0,1|0,1,0]=3 3668 B15R1.795 CSCC(=O)NCCSCc1ccco1 240690a_100000184675_100000184570 [0,1,0,0,0,1|0,1,0]=3 3669 B15R1.795 CSCC(=O)NCCSCc1ccco1 527a_100000184675_100000184570 [0,1,0,0,0,1|0,1,0]=3 3670 B15R1.795 N#CCC(=O)NCCSCc1ccco1 240690a_100000184675_100051588842 [0,1,0,0,0,1|1,0,1]=4 3671 B15R1.795 O=C(C=CBr)NCCSCc1ccco1 240690a_100000184675_100016273825 [0,1,0,0,0,1|1,0,1]=4 3672 B15R1.795 O=C(C=CCl)NCCSCc1ccco1 11a_100000184675_200016279998 [0,1,0,0,0,1|1,0,1]=4 3673 B15R1.795 O=C(C=CCl)NCCSCc1ccco1 240690a_100000184675_200016279998 [0,1,0,0,0,1|1,0,1]=4 3674 B15R1.795 O=C(CCO)NCCSCc1ccco1 240690a_100000184675_100011216618 [0,1,0,0,0,1|1,0,0]=3 3675 B15R1.951 CNC(=O)CCCN[C@H](C)c1ccco1 2230a_100160469435_100000741757 [0,1,0,0,0,1|2,0,0]=4 3676 B15R1.951 CNC(=O)CCCO[C@@H](C)c1ccco1 34a_100000755270_100000741757 [0,1,0,0,0,1|1,1,0]=4 3677 B15R1.951 CNC(=O)CCCO[C@@H](C)c1ccco1 7a_100000755270_100000741757 [0,1,0,0,0,1|1,1,0]=4 3678 B15R1.951 CNC(=O)CCNCC(O)c1ccco1 2230a_100000738650_100000737683 [0,1,0,0,0,1|2,0,0]=4 3679 B15R1.951 CNC(=O)CCSCC(=O)c1ccc[nH]1 62a_100000737683_200011262396 [0,1,0,0,0,1|2,0,0]=4 3680 B15R1.951 CNC(=O)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000737683 [0,1,0,0,0,1|2,0,0]=4 3681 B15R1.951 CNC(=O)CCSCC(=O)c1ccco1 62a_100000211439_100000737683 [0,1,0,0,0,1|1,0,0]=3 3682 B15R1.951 CNC(=O)CCSCC(=O)c1ccco1 62a_100000737683_100000211439 [0,1,0,0,0,1|1,0,0]=3 3683 B15R1.951 CNC(=O)CCSCC(=O)c1cccs1 62a_100000211436_100000737683 [0,1,0,0,0,1|1,1,0]=4 3684 B15R1.951 CNC(=O)CCSCC(=O)c1cccs1 62a_100000737683_100000211436 [0,1,0,0,0,1|1,1,0]=4 3685 B15R1.951 CNC(=O)OCCO[C@@H](C)c1ccco1 34a_100000755270_200011997002 [0,1,0,0,0,1|1,1,0]=4 3686 B15R1.951 CNC(=O)OCCO[C@@H](C)c1ccco1 7a_100000755270_200011997002 [0,1,0,0,0,1|1,1,0]=4 3687 B15R1.951 COC(=O)/C=C/CN[C@H](C)c1ccco1 2230a_100160469435_100000742655 [0,1,0,0,0,1|1,0,1]=4 3688 B15R1.951 COC(=O)/C=C/CO[C@@H](C)c1ccco1 34a_100000755270_100000742655 [0,1,0,0,0,1|0,1,1]=4 3689 B15R1.951 COC(=O)/C=C/CO[C@@H](C)c1ccco1 7a_100000755270_100000742655 [0,1,0,0,0,1|0,1,1]=4 3690 B15R1.951 COC(=O)CCCNC(C)c1cccs1 2230a_100000703493_100011218270 [0,1,0,0,0,1|1,1,0]=4 3691 B15R1.951 COC(=O)CCCN[C@H](C)c1ccco1 2230a_100160469435_100011218270 [0,1,0,0,0,1|1,0,0]=3 3692 B15R1.951 COC(=O)CCCO[C@@H](C)c1ccco1 34a_100000755270_100000742333 [0,1,0,0,0,1|0,1,0]=3 3693 B15R1.951 COC(=O)CCCO[C@@H](C)c1ccco1 7a_100000755270_100011218270 [0,1,0,0,0,1|0,1,0]=3 3694 B15R1.951 COC(=O)CCCO[C@H](C)c1cccs1 7a_100000750433_100011218270 [0,1,0,0,0,1|0,2,0]=4 3695 B15R1.951 COC(=O)CCNCC(O)c1ccco1 2230a_100000738650_100000204255 [0,1,0,0,0,1|1,0,0]=3 3696 B15R1.951 COC(=O)CCOCC(N)c1cccs1 34a_100102422791_100000742370 [0,1,0,0,0,1|0,2,0]=4 3697 B15R1.951 COC(=O)CCSCC(=O)c1ccc[nH]1 62a_100000204255_200011262396 [0,1,0,0,0,1|1,0,0]=3 3698 B15R1.951 COC(=O)CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000204255 [0,1,0,0,0,1|1,0,0]=3 3699 B15R1.951 COC(=O)CCSCC(=O)c1ccco1 62a_100000204255_100000211439 [0,1,0,0,0,1|0,0,0]=2 3700 B15R1.951 COC(=O)CCSCC(=O)c1ccco1 62a_100000211439_100000204255 [0,1,0,0,0,1|0,0,0]=2 3701 B15R1.951 COC(=O)CCSCC(=O)c1cccs1 62a_100000204255_100000211436 [0,1,0,0,0,1|0,1,0]=3 3702 B15R1.951 COC(=O)CCSCC(=O)c1cccs1 62a_100000211436_100000204255 [0,1,0,0,0,1|0,1,0]=3 3703 B15R1.951 COC(=O)CCSCC(=O)c1ccsc1 62a_100000204255_100011219462 [0,1,0,0,0,1|2,0,0]=4 3704 B15R1.951 COC(=O)CCSCC(=O)c1ccsc1 62a_100011219462_100000204255 [0,1,0,0,0,1|2,0,0]=4 3705 B15R1.951 COC(=O)CCSCC(=O)c1nccs1 62a_100000204255_100000718653 [0,1,0,0,0,1|1,1,0]=4 3706 B15R1.951 COC(=O)CCSCC(=O)c1nccs1 62a_100000718653_100000204255 [0,1,0,0,0,1|1,1,0]=4 3707 B15R1.951 COC(=O)CCSCC(=O)n1cccn1 62a_100000077511_100000204255 [0,1,0,0,0,1|2,0,0]=4 3708 B15R1.951 COC(=O)CCSCC(=O)n1cccn1 62a_100000204255_100000077511 [0,1,0,0,0,1|2,0,0]=4 3709 B15R1.951 COC(=O)OCSCC(=O)c1ccc[nH]1 62a_200011262396_100000139417 [0,1,0,0,0,1|2,0,0]=4 3710 B15R1.951 COC(=O)OCSCC(=O)c1ccco1 62a_100000211439_100000139417 [0,1,0,0,0,1|1,0,0]=3 3711 B15R1.951 COC(=O)OCSCC(=O)c1cccs1 62a_100000211436_100000139417 [0,1,0,0,0,1|1,1,0]=4 3712 B15R1.961 CCC(=O)NCCNCc1cc(co1)Br 270004a_100132302217_100000747035 [0,1,0,0,0,1|2,0,0]=4 3713 B15R1.961 CCC(=O)NCCNCc1ccc(o1)Br 207a_100132302217_100000185145 [0,1,0,0,0,1|2,0,0]=4 3714 B15R1.961 CCC(=O)NCCNCc1ccc(o1)Br 270004a_100132302217_100000185145 [0,1,0,0,0,1|2,0,0]=4 3715 B15R1.961 CCC(=O)NCCNCc1ccc(o1)C 207a_100132302217_100000183696 [0,1,0,0,0,1|2,0,0]=4 3716 B15R1.961 CCC(=O)NCCNCc1ccc(o1)C 270004a_100132302217_100000183696 [0,1,0,0,0,1|2,0,0]=4 3717 B15R1.961 CCC(=O)NCCNCc1ccc(o1)Cl 207a_100132302217_100000188459 [0,1,0,0,0,1|2,0,0]=4 3718 B15R1.961 CCC(=O)NCCNCc1ccc(o1)Cl 270004a_100132302217_100000188459 [0,1,0,0,0,1|2,0,0]=4 3719 B15R1.961 CCC(=O)NCCNCc1ccc(o1)I 207a_100132302217_100000186757 [0,1,0,0,0,1|2,0,0]=4 3720 B15R1.961 CCC(=O)NCCSCc1ccc(s1)Br 11a_100000198568_100000210414 [0,1,0,0,0,1|1,1,0]=4 3721 B15R1.961 CCC(=O)NCCSCc1ccc(s1)Br 240690a_100000198568_100000210414 [0,1,0,0,0,1|1,1,0]=4 3722 B15R1.961 CCC(=O)NCCSCc1ccc(s1)Br 527a_100000198568_100000210414 [0,1,0,0,0,1|1,1,0]=4 3723 B15R1.961 CNC(=O)CCCNCc1cc(co1)Br 270004a_100000740002_100000747035 [0,1,0,0,0,1|2,0,0]=4 3724 B15R1.961 CNC(=O)CCCNCc1ccc(o1)Br 207a_100000740002_100000185145 [0,1,0,0,0,1|2,0,0]=4 3725 B15R1.961 CNC(=O)CCCNCc1ccc(o1)Br 270004a_100000740002_100000185145 [0,1,0,0,0,1|2,0,0]=4 3726 B15R1.961 CNC(=O)CCCNCc1ccc(o1)Br 34a_100000708654_100000741757 [0,1,0,0,0,1|2,0,0]=4 3727 B15R1.961 CNC(=O)CCCNCc1ccc(o1)C 207a_100000740002_100000183696 [0,1,0,0,0,1|2,0,0]=4 3728 B15R1.961 CNC(=O)CCCNCc1ccc(o1)C 270004a_100000740002_100000183696 [0,1,0,0,0,1|2,0,0]=4 3729 B15R1.961 CNC(=O)CCCNCc1ccc(o1)C 34a_100011194323_100000741757 [0,1,0,0,0,1|2,0,0]=4 3730 B15R1.961 CNC(=O)CCCNCc1ccc(o1)Cl 207a_100000740002_100000188459 [0,1,0,0,0,1|2,0,0]=4 3731 B15R1.961 CNC(=O)CCCNCc1ccc(o1)Cl 270004a_100000740002_100000188459 [0,1,0,0,0,1|2,0,0]=4 3732 B15R1.961 CNC(=O)CCCNCc1ccc(o1)I 207a_100000740002_100000186757 [0,1,0,0,0,1|2,0,0]=4 3733 B15R1.961 CNC(=O)CCCOCc1ccc(o1)Br 34a_100000246276_100000741757 [0,1,0,0,0,1|1,1,0]=4 3734 B15R1.961 CNC(=O)CCCOCc1ccc(o1)Br 7a_100000246276_100000741757 [0,1,0,0,0,1|1,1,0]=4 3735 B15R1.961 CNC(=O)CCCOCc1ccc(o1)C 34a_100011232665_100000741757 [0,1,0,0,0,1|1,1,0]=4 3736 B15R1.961 CNC(=O)CCCOCc1ccc(o1)C 7a_100011232665_100000741757 [0,1,0,0,0,1|1,1,0]=4 3737 B15R1.961 CNC(=O)CCCSCc1cc(cs1)Br 62a_100000741757_100000746031 [0,1,0,0,0,1|1,1,0]=4 3738 B15R1.961 CNC(=O)CCCSCc1cc(cs1)Br 62a_100000746031_100000741757 [0,1,0,0,0,1|1,1,0]=4 3739 B15R1.961 CNC(=O)CCCSCc1cc(no1)Br 62a_100000709089_100000741757 [0,1,0,0,0,1|2,0,0]=4 3740 B15R1.961 CNC(=O)CCCSCc1cc(no1)Br 62a_100000741757_100000709089 [0,1,0,0,0,1|2,0,0]=4 3741 B15R1.961 CNC(=O)CCCSCc1cc(no1)C 62a_100000707947_100000741757 [0,1,0,0,0,1|2,0,0]=4 3742 B15R1.961 CNC(=O)CCCSCc1cc(no1)C 62a_100000741757_100000707947 [0,1,0,0,0,1|2,0,0]=4 3743 B15R1.961 CNC(=O)CCCSCc1ccc(s1)Br 62a_100000708592_100000741757 [0,1,0,0,0,1|1,1,0]=4 3744 B15R1.961 CNC(=O)CCCSCc1ccc(s1)Br 62a_100000741757_100000708592 [0,1,0,0,0,1|1,1,0]=4 3745 B15R1.961 CNC(=O)CCCSCc1ccc(s1)Cl 62a_100000185097_100000741757 [0,1,0,0,0,1|1,1,0]=4 3746 B15R1.961 CNC(=O)CCCSCc1ccc(s1)Cl 62a_100000741757_100000185097 [0,1,0,0,0,1|1,1,0]=4 3747 B15R1.961 CNC(=O)CCNCCc1ccc(o1)C 2230a_100000739271_100000737683 [0,1,0,0,0,1|2,0,0]=4 3748 B15R1.961 CNC(=O)CCNCCc1ccc(o1)C 34a_100000739271_100012179268 [0,1,0,0,0,1|2,0,0]=4 3749 B15R1.961 CNC(=O)CCOCCc1ccc(o1)C 34a_100012161071_100012179268 [0,1,0,0,0,1|1,1,0]=4 3750 B15R1.961 CNC(=O)CCOCCc1ccc(o1)C 7a_100012161071_100000737683 [0,1,0,0,0,1|1,1,0]=4 3751 B15R1.961 CNC(=O)NCCNCc1ccc(o1)Br 207a_100015205895_100000185145 [0,1,0,0,0,1|2,0,0]=4 3752 B15R1.961 CNC(=O)NCCNCc1ccc(o1)C 207a_100015205895_100000183696 [0,1,0,0,0,1|2,0,0]=4 3753 B15R1.961 CNC(=O)NCCNCc1ccc(o1)Cl 207a_100015205895_100000188459 [0,1,0,0,0,1|2,0,0]=4 3754 B15R1.961 CNC(=O)NCCNCc1ccc(o1)I 207a_100015205895_100000186757 [0,1,0,0,0,1|2,0,0]=4 3755 B15R1.961 CNC(=O)NCCSCc1ccc(s1)Br 2708a_100000198568_106832991635 [0,1,0,0,0,1|1,1,0]=4 3756 B15R1.961 CNC(=O)NCCSCc1ccc(s1)Br 2708a_100102657272_100000198568 [0,1,0,0,0,1|1,1,0]=4 3757 B15R1.961 CNC(=O)NCCSCc1ccc(s1)Br 273464a_100000198568_100102657272 [0,1,0,0,0,1|1,1,0]=4 3758 B15R1.961 CNC(=O)NCCSCc1ccc(s1)Br 273464a_100102657272_100000198568 [0,1,0,0,0,1|1,1,0]=4 3759 B15R1.961 CNC(=O)NCCSCc1ccc(s1)Br 512a_100000198568_100102657272 [0,1,0,0,0,1|1,1,0]=4 3760 B15R1.961 CNC(=O)NCCSCc1ccc(s1)Br 512a_106832991638_100000198568 [0,1,0,0,0,1|1,1,0]=4 3761 B15R1.961 CNC(=O)OCCNCc1ccc(o1)Br 34a_100000708654_200011997002 [0,1,0,0,0,1|2,0,0]=4 3762 B15R1.961 CNC(=O)OCCNCc1ccc(o1)C 34a_100011194323_200011997002 [0,1,0,0,0,1|2,0,0]=4 3763 B15R1.961 CNC(=O)OCCOCc1ccc(o1)Br 34a_100000246276_200011997002 [0,1,0,0,0,1|1,1,0]=4 3764 B15R1.961 CNC(=O)OCCOCc1ccc(o1)Br 7a_100000246276_200011997002 [0,1,0,0,0,1|1,1,0]=4 3765 B15R1.961 CNC(=O)OCCOCc1ccc(o1)C 34a_100011232665_200011997002 [0,1,0,0,0,1|1,1,0]=4 3766 B15R1.961 CNC(=O)OCCOCc1ccc(o1)C 7a_100011232665_200011997002 [0,1,0,0,0,1|1,1,0]=4 3767 B15R1.961 CNC(=O)OCCSCc1cc(cs1)Br 62a_100000746031_200011997002 [0,1,0,0,0,1|1,1,0]=4 3768 B15R1.961 CNC(=O)OCCSCc1cc(cs1)Br 62a_200011997002_100000746031 [0,1,0,0,0,1|1,1,0]=4 3769 B15R1.961 CNC(=O)OCCSCc1cc(no1)Br 62a_100000709089_200011997002 [0,1,0,0,0,1|2,0,0]=4 3770 B15R1.961 CNC(=O)OCCSCc1cc(no1)Br 62a_200011997002_100000709089 [0,1,0,0,0,1|2,0,0]=4 3771 B15R1.961 CNC(=O)OCCSCc1cc(no1)C 62a_100000707947_200011997002 [0,1,0,0,0,1|2,0,0]=4 3772 B15R1.961 CNC(=O)OCCSCc1cc(no1)C 62a_200011997002_100000707947 [0,1,0,0,0,1|2,0,0]=4 3773 B15R1.961 CNC(=O)OCCSCc1ccc(s1)Br 62a_100000708592_200011997002 [0,1,0,0,0,1|1,1,0]=4 3774 B15R1.961 CNC(=O)OCCSCc1ccc(s1)Br 62a_200011997002_100000708592 [0,1,0,0,0,1|1,1,0]=4 3775 B15R1.961 CNC(=O)OCCSCc1ccc(s1)Cl 62a_100000185097_200011997002 [0,1,0,0,0,1|1,1,0]=4 3776 B15R1.961 CNC(=O)OCCSCc1ccc(s1)Cl 62a_200011997002_100000185097 [0,1,0,0,0,1|1,1,0]=4 3777 B15R1.961 COC(=O)/C=C/CNCc1ccc(o1)Br 34a_100000708654_100000742655 [0,1,0,0,0,1|1,0,1]=4 3778 B15R1.961 COC(=O)/C=C/CNCc1ccc(o1)C 34a_100011194323_100000742655 [0,1,0,0,0,1|1,0,1]=4 3779 B15R1.961 COC(=O)/C=C/COCc1ccc(o1)Br 34a_100000246276_100000742655 [0,1,0,0,0,1|0,1,1]=4 3780 B15R1.961 COC(=O)/C=C/COCc1ccc(o1)Br 7a_100000246276_100000742655 [0,1,0,0,0,1|0,1,1]=4 3781 B15R1.961 COC(=O)/C=C/COCc1ccc(o1)C 34a_100011232665_100000742655 [0,1,0,0,0,1|0,1,1]=4 3782 B15R1.961 COC(=O)/C=C/COCc1ccc(o1)C 7a_100011232665_100000742655 [0,1,0,0,0,1|0,1,1]=4 3783 B15R1.961 COC(=O)/C=C/CSCc1cc(cs1)Br 62a_100000742655_100000746031 [0,1,0,0,0,1|0,1,1]=4 3784 B15R1.961 COC(=O)/C=C/CSCc1cc(cs1)Br 62a_100000746031_100000742655 [0,1,0,0,0,1|0,1,1]=4 3785 B15R1.961 COC(=O)/C=C/CSCc1cc(no1)Br 62a_100000709089_100000742655 [0,1,0,0,0,1|1,0,1]=4 3786 B15R1.961 COC(=O)/C=C/CSCc1cc(no1)Br 62a_100000742655_100000709089 [0,1,0,0,0,1|1,0,1]=4 3787 B15R1.961 COC(=O)/C=C/CSCc1cc(no1)C 62a_100000707947_100000742655 [0,1,0,0,0,1|1,0,1]=4 3788 B15R1.961 COC(=O)/C=C/CSCc1cc(no1)C 62a_100000742655_100000707947 [0,1,0,0,0,1|1,0,1]=4 3789 B15R1.961 COC(=O)/C=C/CSCc1ccc(s1)Br 62a_100000708592_100000742655 [0,1,0,0,0,1|0,1,1]=4 3790 B15R1.961 COC(=O)/C=C/CSCc1ccc(s1)Br 62a_100000742655_100000708592 [0,1,0,0,0,1|0,1,1]=4 3791 B15R1.961 COC(=O)/C=C/CSCc1ccc(s1)Cl 62a_100000185097_100000742655 [0,1,0,0,0,1|0,1,1]=4 3792 B15R1.961 COC(=O)/C=C/CSCc1ccc(s1)Cl 62a_100000742655_100000185097 [0,1,0,0,0,1|0,1,1]=4 3793 B15R1.961 COC(=O)CCCCSc1cc(cs1)C 62a_100000204269_100009876951 [0,1,0,0,0,1|1,1,0]=4 3794 B15R1.961 COC(=O)CCCCSc1cc(cs1)C 62a_100009876951_100000204269 [0,1,0,0,0,1|1,1,0]=4 3795 B15R1.961 COC(=O)CCCCSc1ccc(s1)Br 62a_100000204269_100010197418 [0,1,0,0,0,1|1,1,0]=4 3796 B15R1.961 COC(=O)CCCCSc1ccc(s1)Br 62a_100010197418_100000204269 [0,1,0,0,0,1|1,1,0]=4 3797 B15R1.961 COC(=O)CCCCSc1ccc(s1)C 62a_100000031368_100000204269 [0,1,0,0,0,1|1,1,0]=4 3798 B15R1.961 COC(=O)CCCCSc1ccc(s1)C 62a_100000204269_100000031368 [0,1,0,0,0,1|1,1,0]=4 3799 B15R1.961 COC(=O)CCCNCc1cc(cs1)Br 2230a_100000741024_100011218270 [0,1,0,0,0,1|1,1,0]=4 3800 B15R1.961 COC(=O)CCCNCc1cc(cs1)Br 34a_100000741024_100000742333 [0,1,0,0,0,1|1,1,0]=4 3801 B15R1.961 COC(=O)CCCNCc1cc(cs1)C 2230a_100015204214_100011218270 [0,1,0,0,0,1|1,1,0]=4 3802 B15R1.961 COC(=O)CCCNCc1cc(cs1)C 34a_100015204214_100000742333 [0,1,0,0,0,1|1,1,0]=4 3803 B15R1.961 COC(=O)CCCNCc1cc(no1)Br 2230a_100015193020_100011218270 [0,1,0,0,0,1|2,0,0]=4 3804 B15R1.961 COC(=O)CCCNCc1cc(no1)Br 34a_100015193020_100000742333 [0,1,0,0,0,1|2,0,0]=4 3805 B15R1.961 COC(=O)CCCNCc1cc(no1)C 2230a_100000745748_100011218270 [0,1,0,0,0,1|2,0,0]=4 3806 B15R1.961 COC(=O)CCCNCc1cc(no1)C 34a_100000745748_100000742333 [0,1,0,0,0,1|2,0,0]=4 3807 B15R1.961 COC(=O)CCCNCc1ccc(o1)Br 34a_100000708654_100000742333 [0,1,0,0,0,1|1,0,0]=3 3808 B15R1.961 COC(=O)CCCNCc1ccc(o1)C 34a_100011194323_100000742333 [0,1,0,0,0,1|1,0,0]=3 3809 B15R1.961 COC(=O)CCCNCc1ccc(s1)C 2230a_100000238518_100011218270 [0,1,0,0,0,1|1,1,0]=4 3810 B15R1.961 COC(=O)CCCNCc1ccc(s1)Cl 2230a_100000737310_100011218270 [0,1,0,0,0,1|1,1,0]=4 3811 B15R1.961 COC(=O)CCCNCc1ncc(o1)C 2230a_100138411809_100011218270 [0,1,0,0,0,1|2,0,0]=4 3812 B15R1.961 COC(=O)CCCNCc1ncc(o1)C 34a_100138411809_100000742333 [0,1,0,0,0,1|2,0,0]=4 3813 B15R1.961 COC(=O)CCCOCc1cc(cs1)Br 34a_100000238369_100000742333 [0,1,0,0,0,1|0,2,0]=4 3814 B15R1.961 COC(=O)CCCOCc1cc(cs1)Br 7a_100000238369_100011218270 [0,1,0,0,0,1|0,2,0]=4 3815 B15R1.961 COC(=O)CCCOCc1cc(cs1)C 34a_200000068372_100000742333 [0,1,0,0,0,1|0,2,0]=4 3816 B15R1.961 COC(=O)CCCOCc1cc(cs1)C 7a_200000068372_100011218270 [0,1,0,0,0,1|0,2,0]=4 3817 B15R1.961 COC(=O)CCCOCc1cc(no1)Br 34a_100009816691_100000742333 [0,1,0,0,0,1|1,1,0]=4 3818 B15R1.961 COC(=O)CCCOCc1cc(no1)C 34a_100000684692_100000742333 [0,1,0,0,0,1|1,1,0]=4 3819 B15R1.961 COC(=O)CCCOCc1ccc(o1)Br 34a_100000246276_100000742333 [0,1,0,0,0,1|0,1,0]=3 3820 B15R1.961 COC(=O)CCCOCc1ccc(o1)Br 7a_100000246276_100011218270 [0,1,0,0,0,1|0,1,0]=3 3821 B15R1.961 COC(=O)CCCOCc1ccc(o1)C 34a_100011232665_100000742333 [0,1,0,0,0,1|0,1,0]=3 3822 B15R1.961 COC(=O)CCCOCc1ccc(o1)C 7a_100011232665_100011218270 [0,1,0,0,0,1|0,1,0]=3 3823 B15R1.961 COC(=O)CCCOCc1ccc(s1)C 34a_100000238367_100000742333 [0,1,0,0,0,1|0,2,0]=4 3824 B15R1.961 COC(=O)CCCSCC1=CC(=O)OC1 62a_100000716558_100011218270 [0,1,0,0,0,1|2,0,0]=4 3825 B15R1.961 COC(=O)CCCSCC1=CC(=O)OC1 62a_100011218270_100000716558 [0,1,0,0,0,1|2,0,0]=4 3826 B15R1.961 COC(=O)CCCSCc1cc(cs1)Br 62a_100000746031_100011218270 [0,1,0,0,0,1|0,1,0]=3 3827 B15R1.961 COC(=O)CCCSCc1cc(cs1)Br 62a_100011218270_100000746031 [0,1,0,0,0,1|0,1,0]=3 3828 B15R1.961 COC(=O)CCCSCc1cc(no1)Br 62a_100000709089_100011218270 [0,1,0,0,0,1|1,0,0]=3 3829 B15R1.961 COC(=O)CCCSCc1cc(no1)Br 62a_100011218270_100000709089 [0,1,0,0,0,1|1,0,0]=3 3830 B15R1.961 COC(=O)CCCSCc1cc(no1)C 62a_100000707947_100011218270 [0,1,0,0,0,1|1,0,0]=3 3831 B15R1.961 COC(=O)CCCSCc1cc(no1)C 62a_100011218270_100000707947 [0,1,0,0,0,1|1,0,0]=3 3832 B15R1.961 COC(=O)CCCSCc1cc(on1)C 62a_100000199038_100011218270 [0,1,0,0,0,1|2,0,0]=4 3833 B15R1.961 COC(=O)CCCSCc1cc(on1)C 62a_100011218270_100000199038 [0,1,0,0,0,1|2,0,0]=4 3834 B15R1.961 COC(=O)CCCSCc1ccc(s1)Br 62a_100000708592_100011218270 [0,1,0,0,0,1|0,1,0]=3 3835 B15R1.961 COC(=O)CCCSCc1ccc(s1)Br 62a_100011218270_100000708592 [0,1,0,0,0,1|0,1,0]=3 3836 B15R1.961 COC(=O)CCCSCc1ccc(s1)Cl 62a_100000185097_100011218270 [0,1,0,0,0,1|0,1,0]=3 3837 B15R1.961 COC(=O)CCCSCc1ccc(s1)Cl 62a_100011218270_100000185097 [0,1,0,0,0,1|0,1,0]=3 3838 B15R1.961 COC(=O)CCCSCc1ccn(n1)C 62a_100000726502_100011218270 [0,1,0,0,0,1|2,0,0]=4 3839 B15R1.961 COC(=O)CCCSCc1ccn(n1)C 62a_100011218270_100000726502 [0,1,0,0,0,1|2,0,0]=4 3840 B15R1.961 COC(=O)CCCSCc1cn(cn1)C 62a_100000717665_100011218270 [0,1,0,0,0,1|2,0,0]=4 3841 B15R1.961 COC(=O)CCCSCc1cn(cn1)C 62a_100011218270_100000717665 [0,1,0,0,0,1|2,0,0]=4 3842 B15R1.961 COC(=O)CCCSCc1cnc(s1)Br 62a_100000717027_100011218270 [0,1,0,0,0,1|1,1,0]=4 3843 B15R1.961 COC(=O)CCCSCc1cnc(s1)Br 62a_100011218270_100000717027 [0,1,0,0,0,1|1,1,0]=4 3844 B15R1.961 COC(=O)CCCSCc1cnc(s1)C 62a_100011218270_100020635045 [0,1,0,0,0,1|1,1,0]=4 3845 B15R1.961 COC(=O)CCCSCc1cnc(s1)C 62a_100020635045_100011218270 [0,1,0,0,0,1|1,1,0]=4 3846 B15R1.961 COC(=O)CCCSCc1cnc(s1)Cl 62a_100000058068_100011218270 [0,1,0,0,0,1|1,1,0]=4 3847 B15R1.961 COC(=O)CCCSCc1cnc(s1)Cl 62a_100011218270_100000058068 [0,1,0,0,0,1|1,1,0]=4 3848 B15R1.961 COC(=O)CCCSCc1csc(n1)C 62a_100011218270_100015186478 [0,1,0,0,0,1|2,0,0]=4 3849 B15R1.961 COC(=O)CCCSCc1csc(n1)C 62a_100015186478_100011218270 [0,1,0,0,0,1|2,0,0]=4 3850 B15R1.961 COC(=O)CCCSCc1csc(n1)Cl 62a_100000024076_100011218270 [0,1,0,0,0,1|2,0,0]=4 3851 B15R1.961 COC(=O)CCCSCc1csc(n1)Cl 62a_100011218270_100000024076 [0,1,0,0,0,1|2,0,0]=4 3852 B15R1.961 COC(=O)CCCSCc1nc(no1)C 62a_100000735555_100011218270 [0,1,0,0,0,1|2,0,0]=4 3853 B15R1.961 COC(=O)CCCSCc1nc(no1)C 62a_100011218270_100000735555 [0,1,0,0,0,1|2,0,0]=4 3854 B15R1.961 COC(=O)CCCSCc1nnc(o1)C 62a_100000181450_100011218270 [0,1,0,0,0,1|2,0,0]=4 3855 B15R1.961 COC(=O)CCCSCc1nnc(o1)C 62a_100011218270_100000181450 [0,1,0,0,0,1|2,0,0]=4 3856 B15R1.961 COC(=O)CCNCCc1ccc(o1)C 2230a_100000739271_100000204255 [0,1,0,0,0,1|1,0,0]=3 3857 B15R1.961 COC(=O)CCNCCc1ccc(o1)C 34a_100000739271_100000742370 [0,1,0,0,0,1|1,0,0]=3 3858 B15R1.961 COC(=O)CCNCCc1ccc(s1)Br 2230a_100000217605_100000204255 [0,1,0,0,0,1|1,1,0]=4 3859 B15R1.961 COC(=O)CCOCCc1cc(no1)Br 34a_100009816916_100000742370 [0,1,0,0,0,1|1,1,0]=4 3860 B15R1.961 COC(=O)CCOCCc1ccc(o1)C 34a_100012161071_100000742370 [0,1,0,0,0,1|0,1,0]=3 3861 B15R1.961 COC(=O)CCOCCc1ccc(o1)C 7a_100012161071_100000204255 [0,1,0,0,0,1|0,1,0]=3 3862 B15R1.961 COC(=O)CCSCCc1csc(n1)C 62a_100000204255_100000695623 [0,1,0,0,0,1|2,0,0]=4 3863 B15R1.961 COC(=O)CCSCCc1csc(n1)C 62a_100000695623_100000204255 [0,1,0,0,0,1|2,0,0]=4 3864 B15R1.961 COC(=O)CCSCCn1cc(cn1)Cl 62a_100000204255_100011353933 [0,1,0,0,0,1|2,0,0]=4 3865 B15R1.961 COC(=O)CCSCCn1cc(cn1)Cl 62a_100011353933_100000204255 [0,1,0,0,0,1|2,0,0]=4 3866 B15R1.961 COC(=O)CCSCCn1ccc(n1)C 62a_100000204255_200011934056 [0,1,0,0,0,1|2,0,0]=4 3867 B15R1.961 COC(=O)CCSCCn1ccc(n1)C 62a_200011934056_100000204255 [0,1,0,0,0,1|2,0,0]=4 3868 B15R1.961 COC(=O)NCCOCc1cc(cs1)Br 34a_100000757965_100000746031 [0,1,0,0,0,1|0,2,0]=4 3869 B15R1.961 COC(=O)NCCOCc1cc(no1)C 34a_100000757965_100000707947 [0,1,0,0,0,1|1,1,0]=4 3870 B15R1.961 COC(=O)NCCOCc1ccc(s1)Br 34a_100000757965_100000708592 [0,1,0,0,0,1|0,2,0]=4 3871 B15R1.961 COC(=O)NCCOCc1ccc(s1)Cl 34a_100000757965_100000185097 [0,1,0,0,0,1|0,2,0]=4 3872 B15R1.961 COC(=O)OCCOCc1cc(cs1)Br 34a_100010262106_100000746031 [0,1,0,0,0,1|0,2,0]=4 3873 B15R1.961 COC(=O)OCCOCc1cc(no1)C 34a_100010262106_100000707947 [0,1,0,0,0,1|1,1,0]=4 3874 B15R1.961 COC(=O)OCCOCc1ccc(s1)Br 34a_100010262106_100000708592 [0,1,0,0,0,1|0,2,0]=4 3875 B15R1.961 COC(=O)OCCOCc1ccc(s1)Cl 34a_100010262106_100000185097 [0,1,0,0,0,1|0,2,0]=4 3876 B15R1.1107 CNC(=O)CCCC(=O)Cc1ccco1 1458a_100011217309_100000741757 [0,1,0,0,0,1|2,0,0]=4 3877 B15R1.1107 CNC(=O)CCCN(C)Cc1ccco1 2230a_100000185268_100000741757 [0,1,0,0,0,1|2,0,0]=4 3878 B15R1.1107 CNC(=O)CCCN(C)Cc1ccco1 269982a_100000185268_100000741757 [0,1,0,0,0,1|2,0,0]=4 3879 B15R1.1107 CNC(=O)CCNC(=O)Cc1ccco1 11a_100000738227_100011217309 [0,1,0,0,0,1|2,0,0]=4 3880 B15R1.1107 CNC(=O)CCNC(=O)Cc1ccco1 527a_100000738227_100011217309 [0,1,0,0,0,1|2,0,0]=4 3881 B15R1.1107 CNC(=O)CCNC(C)Cc1ccco1 270004a_100000738227_100011216958 [0,1,0,0,0,1|2,0,0]=4 3882 B15R1.1107 CNC(=O)CCOC(C)Cc1ccco1 34a_100011803939_100012179268 [0,1,0,0,0,1|1,1,0]=4 3883 B15R1.1107 CNC(=O)CCOC(C)Cc1ccco1 7a_100011803939_100000737683 [0,1,0,0,0,1|1,1,0]=4 3884 B15R1.1107 CNC(=O)OCCC(=O)Cc1ccco1 1458a_100011217309_200011997002 [0,1,0,0,0,1|2,0,0]=4 3885 B15R1.1107 CNC(=O)OCCN(C)Cc1ccco1 269982a_100000185268_200011997002 [0,1,0,0,0,1|2,0,0]=4 3886 B15R1.1107 COC(=O)/C=C/CN(C)Cc1ccco1 2230a_100000185268_100000742655 [0,1,0,0,0,1|1,0,1]=4 3887 B15R1.1107 COC(=O)/C=C/CN(C)Cc1ccco1 269982a_100000185268_100000742655 [0,1,0,0,0,1|1,0,1]=4 3888 B15R1.1107 COC(=O)CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011218270 [0,1,0,0,0,1|2,0,0]=4 3889 B15R1.1107 COC(=O)CCCC(=O)Cc1ccco1 1458a_100011217309_100011218270 [0,1,0,0,0,1|1,0,0]=3 3890 B15R1.1107 COC(=O)CCCC(=O)Cc1cccs1 1458a_100000210189_100011218270 [0,1,0,0,0,1|1,1,0]=4 3891 B15R1.1107 COC(=O)CCCC(=O)Cc1ncco1 1458a_100000239890_103436540062 [0,1,0,0,0,1|2,0,0]=4 3892 B15R1.1107 COC(=O)CCCN(C)Cc1ccco1 2230a_100000185268_100011218270 [0,1,0,0,0,1|1,0,0]=3 3893 B15R1.1107 COC(=O)CCCN(C)Cc1ccco1 269982a_100000185268_100011218270 [0,1,0,0,0,1|1,0,0]=3 3894 B15R1.1107 COC(=O)CCCN(C)Cc1cccs1 2230a_100000184426_100011218270 [0,1,0,0,0,1|1,1,0]=4 3895 B15R1.1107 COC(=O)CCCN(C)Cc1cccs1 269982a_100000184426_100011218270 [0,1,0,0,0,1|1,1,0]=4 3896 B15R1.1107 COC(=O)CCCN(C)Cc1ncco1 269982a_100000739225_103436540062 [0,1,0,0,0,1|2,0,0]=4 3897 B15R1.1107 COC(=O)CCNC(=O)Cc1ccc[nH]1 188690a_100000683876_100000238377 [0,1,0,0,0,1|2,0,0]=4 3898 B15R1.1107 COC(=O)CCNC(=O)Cc1ccco1 188690a_100000683876_100011217309 [0,1,0,0,0,1|1,0,0]=3 3899 B15R1.1107 COC(=O)CCNC(=O)Cc1cccs1 188690a_100000683876_100000210189 [0,1,0,0,0,1|1,1,0]=4 3900 B15R1.1107 COC(=O)CCNC(C)Cc1cccs1 2230a_100000751415_100000204255 [0,1,0,0,0,1|1,1,0]=4 3901 B15R1.1107 COC(=O)CCOC(C)Cc1ccco1 34a_100011803939_100000742370 [0,1,0,0,0,1|0,1,0]=3 3902 B15R1.1107 COC(=O)CCOC(C)Cc1ccco1 7a_100011803939_100000204255 [0,1,0,0,0,1|0,1,0]=3 3903 B15R1.1107 COC(=O)CSCC(=O)Cc1ncco1 1458a_100000191316_103436540062 [0,1,0,0,0,1|2,0,0]=4 3904 B15R1.1115 CNC(=O)CCC(=O)NCc1ccco1 11a_100000185738_100011309844 [0,1,0,0,0,1|2,0,0]=4 3905 B15R1.1115 CNC(=O)CCC(=O)NCc1ccco1 1626a_100000185738_100011309844 [0,1,0,0,0,1|2,0,0]=4 3906 B15R1.1115 CNC(=O)CCC(=O)NCc1ccco1 240690a_100000185738_100011309844 [0,1,0,0,0,1|2,0,0]=4 3907 B15R1.1115 CNC(=O)CCC(=O)NCc1ccco1 527a_100000185738_100011309844 [0,1,0,0,0,1|2,0,0]=4 3908 B15R1.1115 CNC(=O)CNC(C)CCc1ccco1 2230a_100000199034_100000183359 [0,1,0,0,0,1|2,0,0]=4 3909 B15R1.1115 CNC(=O)CNC(C)CCc1ccco1 34a_100000199034_100000183359 [0,1,0,0,0,1|2,0,0]=4 3910 B15R1.1115 COC(=O)CCC(=O)CCc1cccs1 1458a_100000187943_100000748579 [0,1,0,0,0,1|1,1,0]=4 3911 B15R1.1115 COC(=O)CCC(=O)CSc1ccco1 62a_100000691467_100009814098 [0,1,0,0,0,1|1,0,0]=3 3912 B15R1.1115 COC(=O)CCC(=O)CSc1ccco1 62a_100009814098_100000691467 [0,1,0,0,0,1|1,0,0]=3 3913 B15R1.1115 COC(=O)CCC(=O)CSc1cccs1 62a_100000691467_100011215356 [0,1,0,0,0,1|1,1,0]=4 3914 B15R1.1115 COC(=O)CCC(=O)CSc1cccs1 62a_100011215356_100000691467 [0,1,0,0,0,1|1,1,0]=4 3915 B15R1.1115 COC(=O)CCC(=O)CSc1cnco1 62a_100000691467_100020591547 [0,1,0,0,0,1|2,0,0]=4 3916 B15R1.1115 COC(=O)CCC(=O)CSc1cnco1 62a_100020591547_100000691467 [0,1,0,0,0,1|2,0,0]=4 3917 B15R1.1115 COC(=O)CCC(=O)CSc1ncco1 62a_100000691467_100011787736 [0,1,0,0,0,1|2,0,0]=4 3918 B15R1.1115 COC(=O)CCC(=O)CSc1ncco1 62a_100011787736_100000691467 [0,1,0,0,0,1|2,0,0]=4 3919 B15R1.1115 COC(=O)CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000187943 [0,1,0,0,0,1|2,0,0]=4 3920 B15R1.1115 COC(=O)CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000187943 [0,1,0,0,0,1|2,0,0]=4 3921 B15R1.1115 COC(=O)CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000187943 [0,1,0,0,0,1|2,0,0]=4 3922 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 11a_100000185738_100000187943 [0,1,0,0,0,1|1,0,0]=3 3923 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 1626a_100000185738_100000187943 [0,1,0,0,0,1|1,0,0]=3 3924 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 240690a_100000185738_100000187943 [0,1,0,0,0,1|1,0,0]=3 3925 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 527a_100000185738_100000187943 [0,1,0,0,0,1|1,0,0]=3 3926 B15R1.1115 COC(=O)CCC(=O)NCc1cccs1 11a_100000211653_100000187943 [0,1,0,0,0,1|1,1,0]=4 3927 B15R1.1115 COC(=O)CCC(=O)NCc1cccs1 1626a_100000211653_100000187943 [0,1,0,0,0,1|1,1,0]=4 3928 B15R1.1115 COC(=O)CCC(=O)NCc1cccs1 240690a_100000211653_100000187943 [0,1,0,0,0,1|1,1,0]=4 3929 B15R1.1115 COC(=O)CCC(=O)NCc1cccs1 527a_100000211653_100000187943 [0,1,0,0,0,1|1,1,0]=4 3930 B15R1.1115 COC(=O)CCC(=O)NCc1cnco1 11a_100020634212_100000187943 [0,1,0,0,0,1|2,0,0]=4 3931 B15R1.1115 COC(=O)CCC(=O)NCc1cnco1 240690a_100020634212_100000187943 [0,1,0,0,0,1|2,0,0]=4 3932 B15R1.1115 COC(=O)CCC(=O)NCc1cnco1 527a_100020634212_100000187943 [0,1,0,0,0,1|2,0,0]=4 3933 B15R1.1115 COC(=O)CCC(=O)NCc1ncco1 11a_100016994969_100000187943 [0,1,0,0,0,1|2,0,0]=4 3934 B15R1.1115 COC(=O)CCC(=O)NCc1ncco1 1626a_100016994969_100000187943 [0,1,0,0,0,1|2,0,0]=4 3935 B15R1.1115 COC(=O)CCC(=O)NCc1ncco1 240690a_100016994969_100000187943 [0,1,0,0,0,1|2,0,0]=4 3936 B15R1.1115 COC(=O)CCC(=O)NCc1ncco1 527a_100016994969_100000187943 [0,1,0,0,0,1|2,0,0]=4 3937 B15R1.1115 COC(=O)CCN(C)CCc1cccs1 269982a_100025711912_100000748579 [0,1,0,0,0,1|1,1,0]=4 3938 B15R1.1115 COC(=O)CNC(=O)CCc1ccco1 188690a_100000185156_100000185103 [0,1,0,0,0,1|1,0,1]=4 3939 B15R1.1115 COC(=O)CNC(=O)CSc1ccco1 62a_100000182966_100009814098 [0,1,0,0,0,1|2,0,0]=4 3940 B15R1.1115 COC(=O)CNC(=O)CSc1ccco1 62a_100009814098_100000182966 [0,1,0,0,0,1|2,0,0]=4 3941 B15R1.1115 COC(=O)CNC(C)CCc1ccco1 2230a_100000199034_100000747449 [0,1,0,0,0,1|1,0,0]=3 3942 B15R1.1115 COC(=O)CNC(C)CCc1ccco1 34a_100000199034_100000747449 [0,1,0,0,0,1|1,0,0]=3 3943 B15R1.1115 COC(=O)NCC(=O)NCc1ccco1 11a_100000185738_100000215747 [0,1,0,0,0,1|1,0,1]=4 3944 B15R1.1115 COC(=O)NCC(=O)NCc1ccco1 1626a_100000185738_100000215747 [0,1,0,0,0,1|1,0,1]=4 3945 B15R1.1115 COC(=O)NCC(=O)NCc1ccco1 240690a_100000185738_100000215747 [0,1,0,0,0,1|1,0,1]=4 3946 B15R1.1115 COC(=O)NCC(=O)NCc1ccco1 527a_100000185738_100000215747 [0,1,0,0,0,1|1,0,1]=4 3947 B15R1.1332 C=C(CNCCc1ccco1)C(=O)OC 34a_100000694680_100009813391 [0,1,0,0,0,1|1,0,1]=4 3948 B15R1.1332 C=C(CSCCc1cccs1)C(=O)OC 62a_100000748579_100009813391 [0,1,0,0,0,1|0,1,1]=4 3949 B15R1.1332 C=C(CSCCc1cccs1)C(=O)OC 62a_100009813391_100000748579 [0,1,0,0,0,1|0,1,1]=4 3950 B15R1.1332 COC(=O)C(=O)CNCCc1ccco1 34a_100000694680_100011610305 [0,1,0,0,0,1|1,0,1]=4 3951 B15R1.1332 COC(=O)C(=O)CSCCc1cccs1 62a_100000748579_100011610305 [0,1,0,0,0,1|0,1,1]=4 3952 B15R1.1332 COC(=O)C(=O)CSCCc1cccs1 62a_100011610305_100000748579 [0,1,0,0,0,1|0,1,1]=4 3953 B15R1.1332 COC(=O)C(C)CCNCc1ccco1 2230a_100000185738_100000034942 [0,1,0,0,0,1|1,0,0]=3 3954 B15R1.1332 COC(=O)C(C)CCNCc1ccco1 34a_100000185738_100000034942 [0,1,0,0,0,1|1,0,0]=3 3955 B15R1.1332 COC(=O)C(C)CCNCc1cccs1 2230a_100000211653_100000034942 [0,1,0,0,0,1|1,1,0]=4 3956 B15R1.1332 COC(=O)C(C)CCNCc1ncco1 2230a_100016994969_100000034942 [0,1,0,0,0,1|2,0,0]=4 3957 B15R1.1332 COC(=O)C(C)CCOCc1ccco1 34a_100000210059_100000034942 [0,1,0,0,0,1|0,1,0]=3 3958 B15R1.1332 COC(=O)C(C)CCOCc1cccs1 34a_100000211240_100000034942 [0,1,0,0,0,1|0,2,0]=4 3959 B15R1.1332 COC(=O)C(C)CCOCc1ccno1 34a_100000740478_100000034942 [0,1,0,0,0,1|1,1,0]=4 3960 B15R1.1332 COC(=O)C(C)CCOCc1ncco1 34a_100000062594_100000034942 [0,1,0,0,0,1|1,1,0]=4 3961 B15R1.1332 COC(=O)C(C)CCSCc1c[nH]cn1 62a_100000034942_100000707719 [0,1,0,0,0,1|2,0,0]=4 3962 B15R1.1332 COC(=O)C(C)CCSCc1c[nH]cn1 62a_100000707719_100000034942 [0,1,0,0,0,1|2,0,0]=4 3963 B15R1.1332 COC(=O)C(C)CCSCc1ccn[nH]1 62a_100000034942_100000728653 [0,1,0,0,0,1|2,0,0]=4 3964 B15R1.1332 COC(=O)C(C)CCSCc1ccn[nH]1 62a_100000728653_100000034942 [0,1,0,0,0,1|2,0,0]=4 3965 B15R1.1332 COC(=O)C(C)CCSCc1ccon1 62a_100000034942_100000234950 [0,1,0,0,0,1|2,0,0]=4 3966 B15R1.1332 COC(=O)C(C)CCSCc1ccon1 62a_100000234950_100000034942 [0,1,0,0,0,1|2,0,0]=4 3967 B15R1.1332 COC(=O)C(C)CCSCc1ccsc1 62a_100000034942_100011233845 [0,1,0,0,0,1|2,0,0]=4 3968 B15R1.1332 COC(=O)C(C)CCSCc1ccsc1 62a_100011261437_100000034942 [0,1,0,0,0,1|2,0,0]=4 3969 B15R1.1332 COC(=O)C(C)CCSCc1cncs1 62a_100000034942_100015185245 [0,1,0,0,0,1|1,1,0]=4 3970 B15R1.1332 COC(=O)C(C)CCSCc1cncs1 62a_100015185245_100000034942 [0,1,0,0,0,1|1,1,0]=4 3971 B15R1.1332 COC(=O)C(C)CCSCc1cscn1 62a_100000034942_100000205941 [0,1,0,0,0,1|2,0,0]=4 3972 B15R1.1332 COC(=O)C(C)CCSCc1cscn1 62a_100000205941_100000034942 [0,1,0,0,0,1|2,0,0]=4 3973 B15R1.1332 COC(=O)C(C)CCSCc1ncc[nH]1 62a_100000034942_100016991755 [0,1,0,0,0,1|2,0,0]=4 3974 B15R1.1332 COC(=O)C(C)CCSCc1ncc[nH]1 62a_100016991755_100000034942 [0,1,0,0,0,1|2,0,0]=4 3975 B15R1.1332 COC(=O)C(C)CCSCc1ncco1 62a_100000034942_103436540062 [0,1,0,0,0,1|1,0,0]=3 3976 B15R1.1332 COC(=O)C(C)CCSCc1ncco1 62a_103436540062_100000034942 [0,1,0,0,0,1|1,0,0]=3 3977 B15R1.1332 COC(=O)C(C)CCSCc1nccs1 62a_100000034942_100015184050 [0,1,0,0,0,1|1,1,0]=4 3978 B15R1.1332 COC(=O)C(C)CCSCc1nccs1 62a_100015184050_100000034942 [0,1,0,0,0,1|1,1,0]=4 3979 B15R1.1332 COC(=O)C(C)CNCCc1ccco1 34a_100000694680_100000698445 [0,1,0,0,0,1|1,0,0]=3 3980 B15R1.1332 COC(=O)C(C)CNCCc1cccs1 34a_100000203755_100000698445 [0,1,0,0,0,1|1,1,0]=4 3981 B15R1.1332 COC(=O)C(C)COCCc1cccs1 34a_100000749362_100000748579 [0,1,0,0,0,1|0,2,0]=4 3982 B15R1.1332 COC(=O)C(C)COCCc1cccs1 34a_100011216825_100000698445 [0,1,0,0,0,1|0,2,0]=4 3983 B15R1.1332 COC(=O)C(C)COCCc1cccs1 7a_100000749362_100000748579 [0,1,0,0,0,1|0,2,0]=4 3984 B15R1.1332 COC(=O)C(C)CSCCc1c[nH]cn1 62a_100000698445_100020628418 [0,1,0,0,0,1|2,0,0]=4 3985 B15R1.1332 COC(=O)C(C)CSCCc1c[nH]cn1 62a_100020628418_100000698445 [0,1,0,0,0,1|2,0,0]=4 3986 B15R1.1332 COC(=O)C(C)CSCCc1cccs1 62a_100000698445_100000748579 [0,1,0,0,0,1|0,1,0]=3 3987 B15R1.1332 COC(=O)C(C)CSCCc1cccs1 62a_100000748579_100000698445 [0,1,0,0,0,1|0,1,0]=3 3988 B15R1.1332 COC(=O)C(C)CSCCn1cccc1 62a_100000698445_200000035178 [0,1,0,0,0,1|2,0,0]=4 3989 B15R1.1332 COC(=O)C(C)CSCCn1cccc1 62a_200009811947_100000698445 [0,1,0,0,0,1|2,0,0]=4 3990 B15R1.1332 COC(=O)C(C)CSCCn1cccn1 62a_100000698445_100000685285 [0,1,0,0,0,1|2,0,0]=4 3991 B15R1.1332 COC(=O)C(C)CSCCn1cccn1 62a_100015204718_100000698445 [0,1,0,0,0,1|2,0,0]=4 3992 B15R1.1332 COC(=O)C(C)OCCCc1cccs1 34a_100011215400_100010992444 [0,1,0,0,0,1|1,1,0]=4 3993 B15R1.1332 COC(=O)C(C)OCCCc1cccs1 34a_100011713143_100000211248 [0,1,0,0,0,1|1,1,0]=4 3994 B15R1.1332 COC(=O)C(C)OCCCc1cccs1 7a_100011713143_100000211248 [0,1,0,0,0,1|1,1,0]=4 3995 B15R1.1332 COC(=O)C(C)SCCCc1cccs1 62a_100000211248_100010992444 [0,1,0,0,0,1|1,1,0]=4 3996 B15R1.1332 COC(=O)C(C)SCCCc1cccs1 62a_100010992444_100000211248 [0,1,0,0,0,1|1,1,0]=4 3997 B15R1.1332 COC(=O)C(F)COCCc1cccs1 34a_200009849844_100000748579 [0,1,0,0,0,1|0,2,0]=4 3998 B15R1.1332 COC(=O)[C@H](N)COCCc1cccs1 34a_100000003586_100000748579 [0,1,0,0,0,1|0,2,0]=4 3999 B15R1.3174 CCC(=O)NCCNCc1occc1Br 270004a_100132302217_100000756499 [0,1,0,0,0,1|2,0,0]=4 4000 B15R1.3174 CCC(=O)NCCNCc1occc1C 207a_100132302217_100000763527 [0,1,0,0,0,1|2,0,0]=4 4001 B15R1.3174 CCC(=O)NCCNCc1occc1C 270004a_100132302217_100000763527 [0,1,0,0,0,1|2,0,0]=4 4002 B15R1.3174 CNC(=O)CCCNCc1occc1Br 270004a_100000740002_100000756499 [0,1,0,0,0,1|2,0,0]=4 4003 B15R1.3174 CNC(=O)CCCNCc1occc1C 207a_100000740002_100000763527 [0,1,0,0,0,1|2,0,0]=4 4004 B15R1.3174 CNC(=O)CCCNCc1occc1C 270004a_100000740002_100000763527 [0,1,0,0,0,1|2,0,0]=4 4005 B15R1.3174 CNC(=O)CCCOCc1occc1C 34a_100011273948_100000741757 [0,1,0,0,0,1|1,1,0]=4 4006 B15R1.3174 CNC(=O)CCCOCc1occc1C 7a_100011273948_100000741757 [0,1,0,0,0,1|1,1,0]=4 4007 B15R1.3174 CNC(=O)NCCNCc1occc1C 207a_100015205895_100000763527 [0,1,0,0,0,1|2,0,0]=4 4008 B15R1.3174 CNC(=O)OCCOCc1occc1C 34a_100011273948_200011997002 [0,1,0,0,0,1|1,1,0]=4 4009 B15R1.3174 CNC(=O)OCCOCc1occc1C 7a_100011273948_200011997002 [0,1,0,0,0,1|1,1,0]=4 4010 B15R1.3174 COC(=O)/C=C/COCc1occc1C 34a_100011273948_100000742655 [0,1,0,0,0,1|0,1,1]=4 4011 B15R1.3174 COC(=O)/C=C/COCc1occc1C 7a_100011273948_100000742655 [0,1,0,0,0,1|0,1,1]=4 4012 B15R1.3174 COC(=O)CCCCSc1sccc1Br 62a_100000204269_100012361411 [0,1,0,0,0,1|1,1,0]=4 4013 B15R1.3174 COC(=O)CCCCSc1sccc1Br 62a_100012361411_100000204269 [0,1,0,0,0,1|1,1,0]=4 4014 B15R1.3174 COC(=O)CCCCSc1sccc1C 62a_100000204269_100010247149 [0,1,0,0,0,1|1,1,0]=4 4015 B15R1.3174 COC(=O)CCCCSc1sccc1C 62a_100010247149_100000204269 [0,1,0,0,0,1|1,1,0]=4 4016 B15R1.3174 COC(=O)CCCNCc1cccn1C 34a_100011219357_100000742333 [0,1,0,0,0,1|2,0,0]=4 4017 B15R1.3174 COC(=O)CCCNCc1sccc1C 2230a_100000238519_100011218270 [0,1,0,0,0,1|1,1,0]=4 4018 B15R1.3174 COC(=O)CCCNCc1sccc1C 34a_100000238519_100000742333 [0,1,0,0,0,1|1,1,0]=4 4019 B15R1.3174 COC(=O)CCCNCc1sccc1Cl 2230a_100011934584_100011218270 [0,1,0,0,0,1|1,1,0]=4 4020 B15R1.3174 COC(=O)CCCNCc1sccc1Cl 34a_100011934584_100000742333 [0,1,0,0,0,1|1,1,0]=4 4021 B15R1.3174 COC(=O)CCCOCc1occc1C 34a_100011273948_100000742333 [0,1,0,0,0,1|0,1,0]=3 4022 B15R1.3174 COC(=O)CCCOCc1occc1C 7a_100011273948_100011218270 [0,1,0,0,0,1|0,1,0]=3 4023 B15R1.3174 COC(=O)CCCOCc1ocnc1C 34a_100000717716_100000742333 [0,1,0,0,0,1|1,1,0]=4 4024 B15R1.3174 COC(=O)CCCOCc1ocnc1C 7a_100000717716_100011218270 [0,1,0,0,0,1|1,1,0]=4 4025 B15R1.3174 COC(=O)CCCOCc1oncc1C 34a_200011065769_100000742333 [0,1,0,0,0,1|1,1,0]=4 4026 B15R1.3174 COC(=O)CCCOCc1sccc1Br 34a_100000702026_100000742333 [0,1,0,0,0,1|0,2,0]=4 4027 B15R1.3174 COC(=O)CCCOCc1sccc1C 34a_100000238368_100000742333 [0,1,0,0,0,1|0,2,0]=4 4028 B15R1.3174 COC(=O)CCCOCc1sccc1C 7a_100000238368_100011218270 [0,1,0,0,0,1|0,2,0]=4 4029 B15R1.3174 COC(=O)CCCOCc1sccc1Cl 34a_100000722387_100000742333 [0,1,0,0,0,1|0,2,0]=4 4030 B15R1.3174 COC(=O)CCCOCc1sccc1Cl 7a_100000722387_100011218270 [0,1,0,0,0,1|0,2,0]=4 4031 B15R1.3174 COC(=O)CCCSCc1ccnn1C 62a_100000691648_100011218270 [0,1,0,0,0,1|2,0,0]=4 4032 B15R1.3174 COC(=O)CCCSCc1ccnn1C 62a_100011218270_100000691648 [0,1,0,0,0,1|2,0,0]=4 4033 B15R1.3174 COC(=O)CCCSCc1ccsc1Br 62a_100009814289_100011218270 [0,1,0,0,0,1|2,0,0]=4 4034 B15R1.3174 COC(=O)CCCSCc1ccsc1Br 62a_100011218270_100009814289 [0,1,0,0,0,1|2,0,0]=4 4035 B15R1.3174 COC(=O)CCCSCc1ccsc1Cl 62a_100010167017_100011218270 [0,1,0,0,0,1|2,0,0]=4 4036 B15R1.3174 COC(=O)CCCSCc1ccsc1Cl 62a_100011218270_100010167017 [0,1,0,0,0,1|2,0,0]=4 4037 B15R1.3174 COC(=O)CCCSCc1nc[nH]c1C 62a_100000751220_100011218270 [0,1,0,0,0,1|2,0,0]=4 4038 B15R1.3174 COC(=O)CCCSCc1nc[nH]c1C 62a_100011218270_100000751220 [0,1,0,0,0,1|2,0,0]=4 4039 B15R1.3174 COC(=O)CCCSCc1nccn1C 62a_100000700302_100011218270 [0,1,0,0,0,1|2,0,0]=4 4040 B15R1.3174 COC(=O)CCCSCc1nccn1C 62a_100011218270_100000700302 [0,1,0,0,0,1|2,0,0]=4 4041 B15R1.3174 COC(=O)CCCSCc1ncoc1C 62a_100011218270_200000693990 [0,1,0,0,0,1|2,0,0]=4 4042 B15R1.3174 COC(=O)CCCSCc1ncoc1C 62a_200000693990_100011218270 [0,1,0,0,0,1|2,0,0]=4 4043 B15R1.3174 COC(=O)CCNCCc1cccn1C 2230a_100011251756_100000204255 [0,1,0,0,0,1|2,0,0]=4 4044 B15R1.3174 COC(=O)CCNCCc1cccn1C 34a_100011251756_100000742370 [0,1,0,0,0,1|2,0,0]=4 4045 B15R1.3174 COC(=O)CCSCCc1scnc1C 62a_100000057103_100000204255 [0,1,0,0,0,1|1,1,0]=4 4046 B15R1.3174 COC(=O)CCSCCc1scnc1C 62a_100000204255_100000057103 [0,1,0,0,0,1|1,1,0]=4 4047 B15R1.3174 COC(=O)CCSCCn1nccc1C 62a_100000204255_100011934269 [0,1,0,0,0,1|2,0,0]=4 4048 B15R1.3174 COC(=O)CCSCCn1nccc1C 62a_100011934269_100000204255 [0,1,0,0,0,1|2,0,0]=4 4049 B15R1.3670 C=C(Br)C(=O)NCCSCc1ccco1 11a_100000184675_100009813364 [0,1,0,0,0,1|1,0,1]=4 4050 B15R1.3670 C=C(C)C(=O)NCCNCc1ccco1 207a_100102636416_100000186105 [0,1,0,0,0,1|2,0,0]=4 4051 B15R1.3670 C=C(C)C(=O)NCCSCc1ccco1 11a_100000184675_100000185857 [0,1,0,0,0,1|1,0,0]=3 4052 B15R1.3670 C=C(C)C(=O)OCCNCc1ccco1 2230a_100000185738_100009816335 [0,1,0,0,0,1|2,0,0]=4 4053 B15R1.3670 C=C(C)C(=O)OCCNCc1ccco1 34a_100000185738_100009816335 [0,1,0,0,0,1|2,0,0]=4 4054 B15R1.3670 C=C(C)C(=O)OCCOCc1ccco1 34a_100000210059_100009816335 [0,1,0,0,0,1|1,1,0]=4 4055 B15R1.3670 C=C(C)C(=O)OCCSCc1ncco1 62a_100009816335_103436540062 [0,1,0,0,0,1|2,0,0]=4 4056 B15R1.3670 C=C(C)C(=O)OCCSCc1ncco1 62a_103436540062_100009816335 [0,1,0,0,0,1|2,0,0]=4 4057 B15R1.3670 C=C(Cl)C(=O)NCCSCc1ccco1 11a_100000184675_100000039160 [0,1,0,0,0,1|1,0,1]=4 4058 B15R1.3670 C=C(F)C(=O)NCCSCc1ccco1 11a_100000184675_100000036797 [0,1,0,0,0,1|1,0,1]=4 4059 B15R1.3670 CC(C)C(=O)NCCNCc1ccco1 207a_100000752568_100000186105 [0,1,0,0,0,1|2,0,0]=4 4060 B15R1.3670 CC(C)C(=O)NCCNCc1ccco1 270004a_100000752568_100000186105 [0,1,0,0,0,1|2,0,0]=4 4061 B15R1.3670 CC(C)C(=O)NCCSCc1ccco1 11a_100000184675_100000210198 [0,1,0,0,0,1|1,0,0]=3 4062 B15R1.3670 CC(C)C(=O)NCCSCc1ccco1 240690a_100000184675_100000210198 [0,1,0,0,0,1|1,0,0]=3 4063 B15R1.3670 CC(C)C(=O)NCCSCc1ccco1 527a_100000184675_100000210198 [0,1,0,0,0,1|1,0,0]=3 4064 B15R1.3670 CC(F)C(=O)NCCSCc1ccco1 11a_100000184675_100000062450 [0,1,0,0,0,1|1,0,0]=3 4065 B15R1.3670 CC(F)C(=O)NCCSCc1ccco1 240690a_100000184675_100000062450 [0,1,0,0,0,1|1,0,0]=3 4066 B15R1.3670 CC(F)C(=O)NCCSCc1ccco1 527a_100000184675_100000062450 [0,1,0,0,0,1|1,0,0]=3 4067 B15R1.3670 CN(C)C(=O)CCCCSc1ccco1 62a_100000752486_100009814098 [0,1,0,0,0,1|2,0,0]=4 4068 B15R1.3670 CN(C)C(=O)CCCCSc1ccco1 62a_100009814098_100000752486 [0,1,0,0,0,1|2,0,0]=4 4069 B15R1.3670 CN(C)C(=O)CCCNCc1ccco1 207a_200000744827_100000186105 [0,1,0,0,0,1|2,0,0]=4 4070 B15R1.3670 CN(C)C(=O)CCCNCc1ccco1 2230a_100000185738_100000737642 [0,1,0,0,0,1|2,0,0]=4 4071 B15R1.3670 CN(C)C(=O)CCCNCc1ccco1 270004a_200000744827_100000186105 [0,1,0,0,0,1|2,0,0]=4 4072 B15R1.3670 CN(C)C(=O)CCCSCc1ncco1 62a_100000737642_103436540062 [0,1,0,0,0,1|2,0,0]=4 4073 B15R1.3670 CN(C)C(=O)CCCSCc1ncco1 62a_103436540062_100000737642 [0,1,0,0,0,1|2,0,0]=4 4074 B15R1.3670 CN(C)C(=O)CCNCCc1ccco1 2230a_100000694680_100000737620 [0,1,0,0,0,1|2,0,0]=4 4075 B15R1.3670 CN(C)C(=O)CCSCCc1cccs1 62a_100000737620_100000748579 [0,1,0,0,0,1|1,1,0]=4 4076 B15R1.3670 CN(C)C(=O)CCSCCc1cccs1 62a_100000748579_100000737620 [0,1,0,0,0,1|1,1,0]=4 4077 B15R1.3670 CN(C)C(=O)NCCSCc1ccco1 2708a_100000184675_100102631434 [0,1,0,0,0,1|1,0,0]=3 4078 B15R1.3670 C[C@@H](O)C(=O)NCCSCc1ccco1 240690a_100000184675_100000717761 [0,1,0,0,0,1|1,0,0]=3 4079 B15R1.3670 C[C@H](O)C(=O)NCCSCc1ccco1 240690a_100000184675_217856618621 [0,1,0,0,0,1|1,0,0]=3 4080 B15R1.3670 NC(=O)C(=O)NCCSCc1ccco1 240690a_100000184675_100011215815 [0,1,0,0,0,1|2,0,0]=4 4081 B15R1.3670 O=C(NCCSCc1ccco1)C(F)F 11a_100000184675_100000210393 [0,1,0,0,0,1|2,0,0]=4 4082 B15R1.3670 O=C(NCCSCc1ccco1)C(F)F 240690a_100000184675_100000210393 [0,1,0,0,0,1|2,0,0]=4 4083 B15R1.3670 O=C(NCCSCc1ccco1)C(F)F 527a_100000184675_100000210393 [0,1,0,0,0,1|2,0,0]=4 4084 B15R1.3670 O=C(NCCSCc1ccco1)C(O)O 240690a_100000184675_100000233687 [0,1,0,0,0,1|2,0,0]=4 4085 B15R1.738 COC(=O)CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100000211351 [0,2,0,0,0,0|1,0,1]=4 4086 B15R1.738 COC(=O)CC(C)NC(C)c1cccs1 2230a_100000703493_100009817358 [0,2,0,0,0,0|1,1,0]=4 4087 B15R1.738 COC(=O)CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100009817358 [0,2,0,0,0,0|1,0,0]=3 4088 B15R1.738 COC(=O)CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100009817358 [0,2,0,0,0,0|0,1,0]=3 4089 B15R1.738 COC(=O)CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100009817358 [0,2,0,0,0,0|0,1,0]=3 4090 B15R1.738 COC(=O)CC(C)O[C@H](C)c1cccs1 7a_100000750433_100009817358 [0,2,0,0,0,0|0,2,0]=4 4091 B15R1.740 COC(=O)CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100000211351 [0,2,0,0,0,0|1,0,1]=4 4092 B15R1.740 COC(=O)CC(=O)NCc1ccc(o1)C 240690a_100011194323_100000211351 [0,2,0,0,0,0|1,0,1]=4 4093 B15R1.740 COC(=O)CC(C)NCc1cc(cs1)Br 2230a_100000741024_100009817358 [0,2,0,0,0,0|1,1,0]=4 4094 B15R1.740 COC(=O)CC(C)NCc1cc(cs1)Br 34a_100000741024_100009817358 [0,2,0,0,0,0|1,1,0]=4 4095 B15R1.740 COC(=O)CC(C)NCc1cc(cs1)C 2230a_100015204214_100009817358 [0,2,0,0,0,0|1,1,0]=4 4096 B15R1.740 COC(=O)CC(C)NCc1cc(cs1)C 34a_100015204214_100009817358 [0,2,0,0,0,0|1,1,0]=4 4097 B15R1.740 COC(=O)CC(C)NCc1cc(no1)Br 2230a_100015193020_100009817358 [0,2,0,0,0,0|2,0,0]=4 4098 B15R1.740 COC(=O)CC(C)NCc1cc(no1)Br 34a_100015193020_100009817358 [0,2,0,0,0,0|2,0,0]=4 4099 B15R1.740 COC(=O)CC(C)NCc1cc(no1)C 2230a_100000745748_100009817358 [0,2,0,0,0,0|2,0,0]=4 4100 B15R1.740 COC(=O)CC(C)NCc1cc(no1)C 34a_100000745748_100009817358 [0,2,0,0,0,0|2,0,0]=4 4101 B15R1.740 COC(=O)CC(C)NCc1ccc(o1)Br 34a_100000708654_100009817358 [0,2,0,0,0,0|1,0,0]=3 4102 B15R1.740 COC(=O)CC(C)NCc1ccc(o1)C 34a_100011194323_100009817358 [0,2,0,0,0,0|1,0,0]=3 4103 B15R1.740 COC(=O)CC(C)NCc1ccc(s1)C 2230a_100000238518_100009817358 [0,2,0,0,0,0|1,1,0]=4 4104 B15R1.740 COC(=O)CC(C)NCc1ccc(s1)Cl 2230a_100000737310_100009817358 [0,2,0,0,0,0|1,1,0]=4 4105 B15R1.740 COC(=O)CC(C)NCc1ncc(o1)C 2230a_100138411809_100009817358 [0,2,0,0,0,0|2,0,0]=4 4106 B15R1.740 COC(=O)CC(C)NCc1ncc(o1)C 34a_100138411809_100009817358 [0,2,0,0,0,0|2,0,0]=4 4107 B15R1.740 COC(=O)CC(C)OCc1cc(cs1)Br 34a_100000238369_100009817358 [0,2,0,0,0,0|0,2,0]=4 4108 B15R1.740 COC(=O)CC(C)OCc1cc(cs1)Br 7a_100000238369_100009817358 [0,2,0,0,0,0|0,2,0]=4 4109 B15R1.740 COC(=O)CC(C)OCc1cc(cs1)C 34a_200000068372_100009817358 [0,2,0,0,0,0|0,2,0]=4 4110 B15R1.740 COC(=O)CC(C)OCc1cc(cs1)C 7a_200000068372_100009817358 [0,2,0,0,0,0|0,2,0]=4 4111 B15R1.740 COC(=O)CC(C)OCc1cc(no1)Br 34a_100009816691_100009817358 [0,2,0,0,0,0|1,1,0]=4 4112 B15R1.740 COC(=O)CC(C)OCc1cc(no1)C 34a_100000684692_100009817358 [0,2,0,0,0,0|1,1,0]=4 4113 B15R1.740 COC(=O)CC(C)OCc1ccc(o1)Br 34a_100000246276_100009817358 [0,2,0,0,0,0|0,1,0]=3 4114 B15R1.740 COC(=O)CC(C)OCc1ccc(o1)Br 7a_100000246276_100009817358 [0,2,0,0,0,0|0,1,0]=3 4115 B15R1.740 COC(=O)CC(C)OCc1ccc(o1)C 34a_100011232665_100009817358 [0,2,0,0,0,0|0,1,0]=3 4116 B15R1.740 COC(=O)CC(C)OCc1ccc(o1)C 7a_100011232665_100009817358 [0,2,0,0,0,0|0,1,0]=3 4117 B15R1.740 COC(=O)CC(C)OCc1ccc(s1)C 34a_100000238367_100009817358 [0,2,0,0,0,0|0,2,0]=4 4118 B15R1.740 COC(=O)CC(C)SCC1=CC(=O)OC1 62a_100000716558_100009817358 [0,2,0,0,0,0|2,0,0]=4 4119 B15R1.740 COC(=O)CC(C)SCC1=CC(=O)OC1 62a_100009817358_100000716558 [0,2,0,0,0,0|2,0,0]=4 4120 B15R1.740 COC(=O)CC(C)SCc1cc(cs1)Br 62a_100000746031_100009817358 [0,2,0,0,0,0|0,1,0]=3 4121 B15R1.740 COC(=O)CC(C)SCc1cc(cs1)Br 62a_100009817358_100000746031 [0,2,0,0,0,0|0,1,0]=3 4122 B15R1.740 COC(=O)CC(C)SCc1cc(no1)Br 62a_100000709089_100009817358 [0,2,0,0,0,0|1,0,0]=3 4123 B15R1.740 COC(=O)CC(C)SCc1cc(no1)Br 62a_100009817358_100000709089 [0,2,0,0,0,0|1,0,0]=3 4124 B15R1.740 COC(=O)CC(C)SCc1cc(no1)C 62a_100000707947_100009817358 [0,2,0,0,0,0|1,0,0]=3 4125 B15R1.740 COC(=O)CC(C)SCc1cc(no1)C 62a_100009817358_100000707947 [0,2,0,0,0,0|1,0,0]=3 4126 B15R1.740 COC(=O)CC(C)SCc1cc(on1)C 62a_100000199038_100009817358 [0,2,0,0,0,0|2,0,0]=4 4127 B15R1.740 COC(=O)CC(C)SCc1cc(on1)C 62a_100009817358_100000199038 [0,2,0,0,0,0|2,0,0]=4 4128 B15R1.740 COC(=O)CC(C)SCc1ccc(s1)Br 62a_100000708592_100009817358 [0,2,0,0,0,0|0,1,0]=3 4129 B15R1.740 COC(=O)CC(C)SCc1ccc(s1)Br 62a_100009817358_100000708592 [0,2,0,0,0,0|0,1,0]=3 4130 B15R1.740 COC(=O)CC(C)SCc1ccc(s1)Cl 62a_100000185097_100009817358 [0,2,0,0,0,0|0,1,0]=3 4131 B15R1.740 COC(=O)CC(C)SCc1ccc(s1)Cl 62a_100009817358_100000185097 [0,2,0,0,0,0|0,1,0]=3 4132 B15R1.740 COC(=O)CC(C)SCc1ccn(n1)C 62a_100000726502_100009817358 [0,2,0,0,0,0|2,0,0]=4 4133 B15R1.740 COC(=O)CC(C)SCc1ccn(n1)C 62a_100009817358_100000726502 [0,2,0,0,0,0|2,0,0]=4 4134 B15R1.740 COC(=O)CC(C)SCc1cn(cn1)C 62a_100000717665_100009817358 [0,2,0,0,0,0|2,0,0]=4 4135 B15R1.740 COC(=O)CC(C)SCc1cn(cn1)C 62a_100009817358_100000717665 [0,2,0,0,0,0|2,0,0]=4 4136 B15R1.740 COC(=O)CC(C)SCc1cnc(s1)Br 62a_100000717027_100009817358 [0,2,0,0,0,0|1,1,0]=4 4137 B15R1.740 COC(=O)CC(C)SCc1cnc(s1)Br 62a_100009817358_100000717027 [0,2,0,0,0,0|1,1,0]=4 4138 B15R1.740 COC(=O)CC(C)SCc1cnc(s1)C 62a_100009817358_100020635045 [0,2,0,0,0,0|1,1,0]=4 4139 B15R1.740 COC(=O)CC(C)SCc1cnc(s1)C 62a_100020635045_100009817358 [0,2,0,0,0,0|1,1,0]=4 4140 B15R1.740 COC(=O)CC(C)SCc1cnc(s1)Cl 62a_100000058068_100009817358 [0,2,0,0,0,0|1,1,0]=4 4141 B15R1.740 COC(=O)CC(C)SCc1cnc(s1)Cl 62a_100009817358_100000058068 [0,2,0,0,0,0|1,1,0]=4 4142 B15R1.740 COC(=O)CC(C)SCc1csc(n1)C 62a_100009817358_100015186478 [0,2,0,0,0,0|2,0,0]=4 4143 B15R1.740 COC(=O)CC(C)SCc1csc(n1)C 62a_100015186478_100009817358 [0,2,0,0,0,0|2,0,0]=4 4144 B15R1.740 COC(=O)CC(C)SCc1csc(n1)Cl 62a_100000024076_100009817358 [0,2,0,0,0,0|2,0,0]=4 4145 B15R1.740 COC(=O)CC(C)SCc1csc(n1)Cl 62a_100009817358_100000024076 [0,2,0,0,0,0|2,0,0]=4 4146 B15R1.740 COC(=O)CC(C)SCc1nc(no1)C 62a_100000735555_100009817358 [0,2,0,0,0,0|2,0,0]=4 4147 B15R1.740 COC(=O)CC(C)SCc1nc(no1)C 62a_100009817358_100000735555 [0,2,0,0,0,0|2,0,0]=4 4148 B15R1.740 COC(=O)CC(C)SCc1nnc(o1)C 62a_100000181450_100009817358 [0,2,0,0,0,0|2,0,0]=4 4149 B15R1.740 COC(=O)CC(C)SCc1nnc(o1)C 62a_100009817358_100000181450 [0,2,0,0,0,0|2,0,0]=4 4150 B15R1.742 COC(=O)CC(C)NCc1cccn1C 34a_100011219357_100009817358 [0,2,0,0,0,0|2,0,0]=4 4151 B15R1.742 COC(=O)CC(C)NCc1sccc1C 2230a_100000238519_100009817358 [0,2,0,0,0,0|1,1,0]=4 4152 B15R1.742 COC(=O)CC(C)NCc1sccc1C 34a_100000238519_100009817358 [0,2,0,0,0,0|1,1,0]=4 4153 B15R1.742 COC(=O)CC(C)NCc1sccc1Cl 2230a_100011934584_100009817358 [0,2,0,0,0,0|1,1,0]=4 4154 B15R1.742 COC(=O)CC(C)NCc1sccc1Cl 34a_100011934584_100009817358 [0,2,0,0,0,0|1,1,0]=4 4155 B15R1.742 COC(=O)CC(C)OCc1occc1C 34a_100011273948_100009817358 [0,2,0,0,0,0|0,1,0]=3 4156 B15R1.742 COC(=O)CC(C)OCc1occc1C 7a_100011273948_100009817358 [0,2,0,0,0,0|0,1,0]=3 4157 B15R1.742 COC(=O)CC(C)OCc1ocnc1C 34a_100000717716_100009817358 [0,2,0,0,0,0|1,1,0]=4 4158 B15R1.742 COC(=O)CC(C)OCc1ocnc1C 7a_100000717716_100009817358 [0,2,0,0,0,0|1,1,0]=4 4159 B15R1.742 COC(=O)CC(C)OCc1oncc1C 34a_200011065769_100009817358 [0,2,0,0,0,0|1,1,0]=4 4160 B15R1.742 COC(=O)CC(C)OCc1sccc1Br 34a_100000702026_100009817358 [0,2,0,0,0,0|0,2,0]=4 4161 B15R1.742 COC(=O)CC(C)OCc1sccc1C 34a_100000238368_100009817358 [0,2,0,0,0,0|0,2,0]=4 4162 B15R1.742 COC(=O)CC(C)OCc1sccc1C 7a_100000238368_100009817358 [0,2,0,0,0,0|0,2,0]=4 4163 B15R1.742 COC(=O)CC(C)OCc1sccc1Cl 34a_100000722387_100009817358 [0,2,0,0,0,0|0,2,0]=4 4164 B15R1.742 COC(=O)CC(C)OCc1sccc1Cl 7a_100000722387_100009817358 [0,2,0,0,0,0|0,2,0]=4 4165 B15R1.742 COC(=O)CC(C)SCc1ccnn1C 62a_100000691648_100009817358 [0,2,0,0,0,0|2,0,0]=4 4166 B15R1.742 COC(=O)CC(C)SCc1ccnn1C 62a_100009817358_100000691648 [0,2,0,0,0,0|2,0,0]=4 4167 B15R1.742 COC(=O)CC(C)SCc1ccsc1Br 62a_100009814289_100009817358 [0,2,0,0,0,0|2,0,0]=4 4168 B15R1.742 COC(=O)CC(C)SCc1ccsc1Br 62a_100009817358_100009814289 [0,2,0,0,0,0|2,0,0]=4 4169 B15R1.742 COC(=O)CC(C)SCc1ccsc1Cl 62a_100009817358_100010167017 [0,2,0,0,0,0|2,0,0]=4 4170 B15R1.742 COC(=O)CC(C)SCc1ccsc1Cl 62a_100010167017_100009817358 [0,2,0,0,0,0|2,0,0]=4 4171 B15R1.742 COC(=O)CC(C)SCc1nc[nH]c1C 62a_100000751220_100009817358 [0,2,0,0,0,0|2,0,0]=4 4172 B15R1.742 COC(=O)CC(C)SCc1nc[nH]c1C 62a_100009817358_100000751220 [0,2,0,0,0,0|2,0,0]=4 4173 B15R1.742 COC(=O)CC(C)SCc1nccn1C 62a_100000700302_100009817358 [0,2,0,0,0,0|2,0,0]=4 4174 B15R1.742 COC(=O)CC(C)SCc1nccn1C 62a_100009817358_100000700302 [0,2,0,0,0,0|2,0,0]=4 4175 B15R1.742 COC(=O)CC(C)SCc1ncoc1C 62a_100009817358_200000693990 [0,2,0,0,0,0|2,0,0]=4 4176 B15R1.742 COC(=O)CC(C)SCc1ncoc1C 62a_200000693990_100009817358 [0,2,0,0,0,0|2,0,0]=4 4177 B15R1.948 CNC(=O)CC(C)N(C)Cc1ccco1 270004a_100015186911_100000186105 [0,2,0,0,0,0|2,0,0]=4 4178 B15R1.948 COC(=O)CC(=O)N(C)Cc1ccco1 240690a_100000185268_100000211351 [0,2,0,0,0,0|1,0,1]=4 4179 B15R1.948 COC(=O)CC(C)C(=O)Cc1ncco1 1458a_100000037256_103436540062 [0,2,0,0,0,0|2,0,0]=4 4180 B15R1.948 COC(=O)CC(C)N(C)Cc1ccco1 2230a_100000185268_100009817358 [0,2,0,0,0,0|1,0,0]=3 4181 B15R1.948 COC(=O)CC(C)N(C)Cc1ccco1 269982a_100000185268_100009817358 [0,2,0,0,0,0|1,0,0]=3 4182 B15R1.948 COC(=O)CC(C)N(C)Cc1cccs1 2230a_100000184426_100009817358 [0,2,0,0,0,0|1,1,0]=4 4183 B15R1.948 COC(=O)CC(C)N(C)Cc1cccs1 269982a_100000184426_100009817358 [0,2,0,0,0,0|1,1,0]=4 4184 B15R1.948 COC(=O)CN(C)C(=O)Cc1ccco1 11a_100000198492_100011217309 [0,2,0,0,0,0|2,0,0]=4 4185 B15R1.948 COC(=O)CN(C)C(=O)Cc1ccco1 527a_100000198492_100011217309 [0,2,0,0,0,0|2,0,0]=4 4186 B15R1.948 COC(=O)CN(C)C(C)Cc1ccco1 270004a_100000198492_100011216958 [0,2,0,0,0,0|2,0,0]=4 4187 B15R1.1284 CCOC(=O)CC(=O)CCc1ccco1 1458a_100000185103_100000188475 [0,2,0,0,0,0|1,0,1]=4 4188 B15R1.1284 CCOC(=O)CC(=O)NCc1ccco1 240690a_100000185738_100000243816 [0,2,0,0,0,0|1,0,1]=4 4189 B15R1.1284 CCOC(=O)CC(C)NCc1ccco1 2230a_100000185738_100009817359 [0,2,0,0,0,0|1,0,0]=3 4190 B15R1.1284 CCOC(=O)CC(C)NCc1cccs1 2230a_100000211653_100009817359 [0,2,0,0,0,0|1,1,0]=4 4191 B15R1.1284 CCOC(=O)CC(C)NCc1ncco1 2230a_100016994969_100009817359 [0,2,0,0,0,0|2,0,0]=4 4192 B15R1.1284 CCOC(=O)CC(C)SCc1c[nH]cn1 62a_100000707719_100009817359 [0,2,0,0,0,0|2,0,0]=4 4193 B15R1.1284 CCOC(=O)CC(C)SCc1c[nH]cn1 62a_100009817359_100000707719 [0,2,0,0,0,0|2,0,0]=4 4194 B15R1.1284 CCOC(=O)CC(C)SCc1ccn[nH]1 62a_100000728653_100009817359 [0,2,0,0,0,0|2,0,0]=4 4195 B15R1.1284 CCOC(=O)CC(C)SCc1ccn[nH]1 62a_100009817359_100000728653 [0,2,0,0,0,0|2,0,0]=4 4196 B15R1.1284 CCOC(=O)CC(C)SCc1ccon1 62a_100000234950_100009817359 [0,2,0,0,0,0|2,0,0]=4 4197 B15R1.1284 CCOC(=O)CC(C)SCc1ccon1 62a_100009817359_100000234950 [0,2,0,0,0,0|2,0,0]=4 4198 B15R1.1284 CCOC(=O)CC(C)SCc1ccsc1 62a_100009817359_100011233845 [0,2,0,0,0,0|2,0,0]=4 4199 B15R1.1284 CCOC(=O)CC(C)SCc1ccsc1 62a_100011261437_100009817359 [0,2,0,0,0,0|2,0,0]=4 4200 B15R1.1284 CCOC(=O)CC(C)SCc1cncs1 62a_100009817359_100015185245 [0,2,0,0,0,0|1,1,0]=4 4201 B15R1.1284 CCOC(=O)CC(C)SCc1cncs1 62a_100015185245_100009817359 [0,2,0,0,0,0|1,1,0]=4 4202 B15R1.1284 CCOC(=O)CC(C)SCc1cscn1 62a_100000205941_100009817359 [0,2,0,0,0,0|2,0,0]=4 4203 B15R1.1284 CCOC(=O)CC(C)SCc1cscn1 62a_100009817359_100000205941 [0,2,0,0,0,0|2,0,0]=4 4204 B15R1.1284 CCOC(=O)CC(C)SCc1ncc[nH]1 62a_100009817359_100016991755 [0,2,0,0,0,0|2,0,0]=4 4205 B15R1.1284 CCOC(=O)CC(C)SCc1ncc[nH]1 62a_100016991755_100009817359 [0,2,0,0,0,0|2,0,0]=4 4206 B15R1.1284 CCOC(=O)CC(C)SCc1ncco1 62a_100009817359_103436540062 [0,2,0,0,0,0|1,0,0]=3 4207 B15R1.1284 CCOC(=O)CC(C)SCc1ncco1 62a_103436540062_100009817359 [0,2,0,0,0,0|1,0,0]=3 4208 B15R1.1284 CCOC(=O)CC(C)SCc1nccs1 62a_100009817359_100015184050 [0,2,0,0,0,0|1,1,0]=4 4209 B15R1.1284 CCOC(=O)CC(C)SCc1nccs1 62a_100015184050_100009817359 [0,2,0,0,0,0|1,1,0]=4 4210 B15R1.1284 CCOC(=O)C[C@@H](C)OCc1ncco1 7a_100009816390_103436540062 [0,2,0,0,0,0|1,1,0]=4 4211 B15R1.1284 CCOC(=O)C[C@H](O)CSc1ccco1 62a_100000688340_100009814098 [0,2,0,0,0,0|2,0,0]=4 4212 B15R1.1284 CCOC(=O)C[C@H](O)CSc1ccco1 62a_100009814098_100000688340 [0,2,0,0,0,0|2,0,0]=4 4213 B15R1.1284 CCOC(=O)OC(C)SCc1ncco1 62a_100000036008_103436540062 [0,2,0,0,0,0|2,0,0]=4 4214 B15R1.1284 CCOC(=O)OC(C)SCc1ncco1 62a_103436540062_100000036008 [0,2,0,0,0,0|2,0,0]=4 4215 B15R1.1284 COCC(=O)CC(=O)NCc1ccco1 1458a_100000210968_100000183421 [0,2,0,0,0,0|1,0,1]=4 4216 B15R1.1284 COCC(=O)NC(C)CCc1ccco1 11a_100000199034_100000210968 [0,2,0,0,0,0|2,0,0]=4 4217 B15R1.1284 COCC(=O)NC(C)CCc1ccco1 1626a_100000199034_100000210968 [0,2,0,0,0,0|2,0,0]=4 4218 B15R1.1284 COCC(=O)NC(C)CCc1ccco1 527a_100000199034_100000210968 [0,2,0,0,0,0|2,0,0]=4 4219 B15R1.1349 COC(=O)C(=O)C(C)NCc1ccco1 2230a_100000185738_100000692041 [0,2,0,0,0,0|1,0,1]=4 4220 B15R1.1349 COC(=O)C(=O)C(C)NCc1ccco1 34a_100000185738_100000692041 [0,2,0,0,0,0|1,0,1]=4 4221 B15R1.1349 COC(=O)C(=O)C(C)OCc1ccco1 34a_100000210059_100000692041 [0,2,0,0,0,0|0,1,1]=4 4222 B15R1.1349 COC(=O)C(=O)C(C)SCc1ncco1 62a_100000692041_103436540062 [0,2,0,0,0,0|1,0,1]=4 4223 B15R1.1349 COC(=O)C(=O)C(C)SCc1ncco1 62a_103436540062_100000692041 [0,2,0,0,0,0|1,0,1]=4 4224 B15R1.1349 COC(=O)C(C)C(=O)CCc1ccco1 1458a_100000185103_100000211248 [0,2,0,0,0,0|1,0,1]=4 4225 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 11a_100000185738_100012027023 [0,2,0,0,0,0|1,0,1]=4 4226 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 1626a_100000185738_100012027023 [0,2,0,0,0,0|1,0,1]=4 4227 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 240690a_100000185738_100012027023 [0,2,0,0,0,0|1,0,1]=4 4228 B15R1.1349 COC(=O)C(C)C(=O)NCc1ccco1 527a_100000185738_100012027023 [0,2,0,0,0,0|1,0,1]=4 4229 B15R1.1349 COC(=O)[C@@H](N)[C@@H](C)OCc1ncco1 34a_100000004424_103436540062 [0,2,0,0,0,0|1,1,0]=4 4230 B15R1.5389 CC[C@@H](CC(=O)OC)OCc1ncco1 7a_200015357724_103436540062 [0,2,0,0,0,0|1,1,0]=4 4231 B15R1.5389 COC(=O)C[C@H](CCl)OCc1ncco1 7a_100000754131_103436540062 [0,2,0,0,0,0|1,1,0]=4 4232 B15R1.11665 COC(=O)CC(C)(C)OCc1ncco1 7a_100015205050_103436540062 [0,2,0,0,0,0|1,1,0]=4 4233 B15R1.11665 COC(=O)CS(=O)(=O)NCc1ccco1 270084a_100000185738_100000736875 [0,2,0,0,0,0|2,0,0]=4 4234 B15R1.11665 COC(=O)CS(=O)(=O)NCc1ccco1 274078a_100000185738_100000736875 [0,2,0,0,0,0|2,0,0]=4 4235 B15R1.777 CCNC(=O)CCNCc1cc(co1)Br 270004a_100025743525_100000747035 [0,2,0,0,0,0|2,0,0]=4 4236 B15R1.777 CCNC(=O)CCNCc1ccc(o1)Br 207a_100025743525_100000185145 [0,2,0,0,0,0|2,0,0]=4 4237 B15R1.777 CCNC(=O)CCNCc1ccc(o1)Br 270004a_100025743525_100000185145 [0,2,0,0,0,0|2,0,0]=4 4238 B15R1.777 CCNC(=O)CCNCc1ccc(o1)C 207a_100025743525_100000183696 [0,2,0,0,0,0|2,0,0]=4 4239 B15R1.777 CCNC(=O)CCNCc1ccc(o1)C 270004a_100025743525_100000183696 [0,2,0,0,0,0|2,0,0]=4 4240 B15R1.777 CCNC(=O)CCNCc1ccc(o1)Cl 207a_100025743525_100000188459 [0,2,0,0,0,0|2,0,0]=4 4241 B15R1.777 CCNC(=O)CCNCc1ccc(o1)Cl 270004a_100025743525_100000188459 [0,2,0,0,0,0|2,0,0]=4 4242 B15R1.777 CCNC(=O)CCNCc1ccc(o1)I 207a_100025743525_100000186757 [0,2,0,0,0,0|2,0,0]=4 4243 B15R1.777 CCNC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000737597 [0,2,0,0,0,0|1,1,0]=4 4244 B15R1.777 CCNC(=O)CCOCc1ccc(o1)C 7a_100011232665_100000737597 [0,2,0,0,0,0|1,1,0]=4 4245 B15R1.777 CCNC(=O)CCSCc1cc(cs1)Br 62a_100000737597_100000746031 [0,2,0,0,0,0|1,1,0]=4 4246 B15R1.777 CCNC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000737597 [0,2,0,0,0,0|1,1,0]=4 4247 B15R1.777 CCNC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000737597 [0,2,0,0,0,0|2,0,0]=4 4248 B15R1.777 CCNC(=O)CCSCc1cc(no1)Br 62a_100000737597_100000709089 [0,2,0,0,0,0|2,0,0]=4 4249 B15R1.777 CCNC(=O)CCSCc1cc(no1)C 62a_100000707947_100000737597 [0,2,0,0,0,0|2,0,0]=4 4250 B15R1.777 CCNC(=O)CCSCc1cc(no1)C 62a_100000737597_100000707947 [0,2,0,0,0,0|2,0,0]=4 4251 B15R1.777 CCNC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000737597 [0,2,0,0,0,0|1,1,0]=4 4252 B15R1.777 CCNC(=O)CCSCc1ccc(s1)Br 62a_100000737597_100000708592 [0,2,0,0,0,0|1,1,0]=4 4253 B15R1.777 CCNC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000737597 [0,2,0,0,0,0|1,1,0]=4 4254 B15R1.777 CCNC(=O)CCSCc1ccc(s1)Cl 62a_100000737597_100000185097 [0,2,0,0,0,0|1,1,0]=4 4255 B15R1.777 CCOC(=O)CCNCc1cc(cs1)Br 2230a_100000741024_100011206558 [0,2,0,0,0,0|1,1,0]=4 4256 B15R1.777 CCOC(=O)CCNCc1cc(cs1)Br 34a_100000741024_100000765890 [0,2,0,0,0,0|1,1,0]=4 4257 B15R1.777 CCOC(=O)CCNCc1cc(cs1)C 2230a_100015204214_100011206558 [0,2,0,0,0,0|1,1,0]=4 4258 B15R1.777 CCOC(=O)CCNCc1cc(cs1)C 34a_100015204214_100000765890 [0,2,0,0,0,0|1,1,0]=4 4259 B15R1.777 CCOC(=O)CCNCc1cc(no1)Br 2230a_100015193020_100011206558 [0,2,0,0,0,0|2,0,0]=4 4260 B15R1.777 CCOC(=O)CCNCc1cc(no1)Br 34a_100015193020_100000765890 [0,2,0,0,0,0|2,0,0]=4 4261 B15R1.777 CCOC(=O)CCNCc1cc(no1)C 2230a_100000745748_100011206558 [0,2,0,0,0,0|2,0,0]=4 4262 B15R1.777 CCOC(=O)CCNCc1cc(no1)C 34a_100000745748_100000765890 [0,2,0,0,0,0|2,0,0]=4 4263 B15R1.777 CCOC(=O)CCNCc1ccc(o1)Br 34a_100000708654_100000765890 [0,2,0,0,0,0|1,0,0]=3 4264 B15R1.777 CCOC(=O)CCNCc1ccc(o1)C 34a_100011194323_100000765890 [0,2,0,0,0,0|1,0,0]=3 4265 B15R1.777 CCOC(=O)CCNCc1ccc(s1)C 2230a_100000238518_100011206558 [0,2,0,0,0,0|1,1,0]=4 4266 B15R1.777 CCOC(=O)CCNCc1ccc(s1)Cl 2230a_100000737310_100011206558 [0,2,0,0,0,0|1,1,0]=4 4267 B15R1.777 CCOC(=O)CCNCc1ncc(o1)C 2230a_100138411809_100011206558 [0,2,0,0,0,0|2,0,0]=4 4268 B15R1.777 CCOC(=O)CCNCc1ncc(o1)C 34a_100138411809_100000765890 [0,2,0,0,0,0|2,0,0]=4 4269 B15R1.777 CCOC(=O)CCOCc1cc(cs1)Br 34a_100000238369_100000765890 [0,2,0,0,0,0|0,2,0]=4 4270 B15R1.777 CCOC(=O)CCOCc1cc(cs1)Br 7a_100000238369_100011206558 [0,2,0,0,0,0|0,2,0]=4 4271 B15R1.777 CCOC(=O)CCOCc1cc(cs1)C 34a_200000068372_100000765890 [0,2,0,0,0,0|0,2,0]=4 4272 B15R1.777 CCOC(=O)CCOCc1cc(cs1)C 7a_200000068372_100011206558 [0,2,0,0,0,0|0,2,0]=4 4273 B15R1.777 CCOC(=O)CCOCc1cc(no1)Br 34a_100009816691_100000765890 [0,2,0,0,0,0|1,1,0]=4 4274 B15R1.777 CCOC(=O)CCOCc1cc(no1)C 34a_100000684692_100000765890 [0,2,0,0,0,0|1,1,0]=4 4275 B15R1.777 CCOC(=O)CCOCc1ccc(o1)Br 34a_100000246276_100000765890 [0,2,0,0,0,0|0,1,0]=3 4276 B15R1.777 CCOC(=O)CCOCc1ccc(o1)Br 7a_100000246276_100011206558 [0,2,0,0,0,0|0,1,0]=3 4277 B15R1.777 CCOC(=O)CCOCc1ccc(o1)C 34a_100011232665_100000765890 [0,2,0,0,0,0|0,1,0]=3 4278 B15R1.777 CCOC(=O)CCOCc1ccc(o1)C 7a_100011232665_100011206558 [0,2,0,0,0,0|0,1,0]=3 4279 B15R1.777 CCOC(=O)CCOCc1ccc(s1)C 34a_100000238367_100000765890 [0,2,0,0,0,0|0,2,0]=4 4280 B15R1.777 CCOC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000765890 [0,2,0,0,0,0|2,0,0]=4 4281 B15R1.777 CCOC(=O)CCSCC1=CC(=O)OC1 62a_100000765890_100000716558 [0,2,0,0,0,0|2,0,0]=4 4282 B15R1.777 CCOC(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000765890 [0,2,0,0,0,0|0,1,0]=3 4283 B15R1.777 CCOC(=O)CCSCc1cc(cs1)Br 62a_100000765890_100000746031 [0,2,0,0,0,0|0,1,0]=3 4284 B15R1.777 CCOC(=O)CCSCc1cc(no1)Br 62a_100000709089_100000765890 [0,2,0,0,0,0|1,0,0]=3 4285 B15R1.777 CCOC(=O)CCSCc1cc(no1)Br 62a_100000765890_100000709089 [0,2,0,0,0,0|1,0,0]=3 4286 B15R1.777 CCOC(=O)CCSCc1cc(no1)C 62a_100000707947_100000765890 [0,2,0,0,0,0|1,0,0]=3 4287 B15R1.777 CCOC(=O)CCSCc1cc(no1)C 62a_100000765890_100000707947 [0,2,0,0,0,0|1,0,0]=3 4288 B15R1.777 CCOC(=O)CCSCc1cc(on1)C 62a_100000199038_100000765890 [0,2,0,0,0,0|2,0,0]=4 4289 B15R1.777 CCOC(=O)CCSCc1cc(on1)C 62a_100000765890_100000199038 [0,2,0,0,0,0|2,0,0]=4 4290 B15R1.777 CCOC(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000765890 [0,2,0,0,0,0|0,1,0]=3 4291 B15R1.777 CCOC(=O)CCSCc1ccc(s1)Br 62a_100000765890_100000708592 [0,2,0,0,0,0|0,1,0]=3 4292 B15R1.777 CCOC(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000765890 [0,2,0,0,0,0|0,1,0]=3 4293 B15R1.777 CCOC(=O)CCSCc1ccc(s1)Cl 62a_100000765890_100000185097 [0,2,0,0,0,0|0,1,0]=3 4294 B15R1.777 CCOC(=O)CCSCc1ccn(n1)C 62a_100000726502_100000765890 [0,2,0,0,0,0|2,0,0]=4 4295 B15R1.777 CCOC(=O)CCSCc1ccn(n1)C 62a_100000765890_100000726502 [0,2,0,0,0,0|2,0,0]=4 4296 B15R1.777 CCOC(=O)CCSCc1cn(cn1)C 62a_100000717665_100000765890 [0,2,0,0,0,0|2,0,0]=4 4297 B15R1.777 CCOC(=O)CCSCc1cn(cn1)C 62a_100000765890_100000717665 [0,2,0,0,0,0|2,0,0]=4 4298 B15R1.777 CCOC(=O)CCSCc1cnc(s1)Br 62a_100000717027_100000765890 [0,2,0,0,0,0|1,1,0]=4 4299 B15R1.777 CCOC(=O)CCSCc1cnc(s1)Br 62a_100000765890_100000717027 [0,2,0,0,0,0|1,1,0]=4 4300 B15R1.777 CCOC(=O)CCSCc1cnc(s1)C 62a_100000765890_100020635045 [0,2,0,0,0,0|1,1,0]=4 4301 B15R1.777 CCOC(=O)CCSCc1cnc(s1)C 62a_100020635045_100000765890 [0,2,0,0,0,0|1,1,0]=4 4302 B15R1.777 CCOC(=O)CCSCc1cnc(s1)Cl 62a_100000058068_100000765890 [0,2,0,0,0,0|1,1,0]=4 4303 B15R1.777 CCOC(=O)CCSCc1cnc(s1)Cl 62a_100000765890_100000058068 [0,2,0,0,0,0|1,1,0]=4 4304 B15R1.777 CCOC(=O)CCSCc1csc(n1)C 62a_100000765890_100015186478 [0,2,0,0,0,0|2,0,0]=4 4305 B15R1.777 CCOC(=O)CCSCc1csc(n1)C 62a_100015186478_100000765890 [0,2,0,0,0,0|2,0,0]=4 4306 B15R1.777 CCOC(=O)CCSCc1csc(n1)Cl 62a_100000024076_100000765890 [0,2,0,0,0,0|2,0,0]=4 4307 B15R1.777 CCOC(=O)CCSCc1csc(n1)Cl 62a_100000765890_100000024076 [0,2,0,0,0,0|2,0,0]=4 4308 B15R1.777 CCOC(=O)CCSCc1nc(no1)C 62a_100000735555_100000765890 [0,2,0,0,0,0|2,0,0]=4 4309 B15R1.777 CCOC(=O)CCSCc1nc(no1)C 62a_100000765890_100000735555 [0,2,0,0,0,0|2,0,0]=4 4310 B15R1.777 CCOC(=O)CCSCc1nnc(o1)C 62a_100000181450_100000765890 [0,2,0,0,0,0|2,0,0]=4 4311 B15R1.777 CCOC(=O)CCSCc1nnc(o1)C 62a_100000765890_100000181450 [0,2,0,0,0,0|2,0,0]=4 4312 B15R1.777 CCOC(=O)CNCCc1ccc(o1)C 2230a_100000739271_100000188475 [0,2,0,0,0,0|2,0,0]=4 4313 B15R1.777 CCOC(=O)CNCCc1ccc(o1)C 34a_100000739271_100000188475 [0,2,0,0,0,0|2,0,0]=4 4314 B15R1.777 CCOC(=O)COCCc1ccc(o1)C 34a_100012161071_100000188475 [0,2,0,0,0,0|2,0,0]=4 4315 B15R1.777 CCOC(=O)COCCc1ccc(o1)C 7a_100012161071_100000188475 [0,2,0,0,0,0|2,0,0]=4 4316 B15R1.777 CCOC(=O)OCSCc1cc(cs1)Br 62a_100000746031_100000075025 [0,2,0,0,0,0|1,1,0]=4 4317 B15R1.777 CCOC(=O)OCSCc1cc(no1)Br 62a_100000709089_100000075025 [0,2,0,0,0,0|2,0,0]=4 4318 B15R1.777 CCOC(=O)OCSCc1cc(no1)C 62a_100000707947_100000075025 [0,2,0,0,0,0|2,0,0]=4 4319 B15R1.777 CCOC(=O)OCSCc1ccc(s1)Br 62a_100000708592_100000075025 [0,2,0,0,0,0|1,1,0]=4 4320 B15R1.777 CCOC(=O)OCSCc1ccc(s1)Cl 62a_100000185097_100000075025 [0,2,0,0,0,0|1,1,0]=4 4321 B15R1.794 CCNC(=O)CCN[C@H](C)c1ccco1 2230a_100160469435_100000737597 [0,2,0,0,0,0|2,0,0]=4 4322 B15R1.794 CCNC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100000737597 [0,2,0,0,0,0|1,1,0]=4 4323 B15R1.794 CCOC(=O)CCNC(C)c1cccs1 2230a_100000703493_100011206558 [0,2,0,0,0,0|1,1,0]=4 4324 B15R1.794 CCOC(=O)CCN[C@H](C)c1ccco1 2230a_100160469435_100011206558 [0,2,0,0,0,0|1,0,0]=3 4325 B15R1.794 CCOC(=O)CCO[C@@H](C)c1ccco1 34a_100000755270_100000765890 [0,2,0,0,0,0|0,1,0]=3 4326 B15R1.794 CCOC(=O)CCO[C@@H](C)c1ccco1 7a_100000755270_100011206558 [0,2,0,0,0,0|0,1,0]=3 4327 B15R1.794 CCOC(=O)CCO[C@H](C)c1cccs1 7a_100000750433_100011206558 [0,2,0,0,0,0|0,2,0]=4 4328 B15R1.794 CCOC(=O)CNCC(O)c1ccco1 2230a_100000738650_100000188475 [0,2,0,0,0,0|2,0,0]=4 4329 B15R1.796 CCNC(=O)CCN(C)Cc1ccco1 2230a_100000185268_100000737597 [0,2,0,0,0,0|2,0,0]=4 4330 B15R1.796 CCNC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100000737597 [0,2,0,0,0,0|2,0,0]=4 4331 B15R1.796 CCOC(=O)CCC(=O)Cc1ncco1 1458a_100000183558_103436540062 [0,2,0,0,0,0|2,0,0]=4 4332 B15R1.796 CCOC(=O)CCC(C)Sc1ccco1 62a_100000748298_100009814098 [0,2,0,0,0,0|2,0,0]=4 4333 B15R1.796 CCOC(=O)CCC(C)Sc1ccco1 62a_100009814098_100000748298 [0,2,0,0,0,0|2,0,0]=4 4334 B15R1.796 CCOC(=O)CCN(C)Cc1ccco1 2230a_100000185268_100011206558 [0,2,0,0,0,0|1,0,0]=3 4335 B15R1.796 CCOC(=O)CCN(C)Cc1ccco1 269982a_100000185268_100011206558 [0,2,0,0,0,0|1,0,0]=3 4336 B15R1.796 CCOC(=O)CCN(C)Cc1cccs1 2230a_100000184426_100011206558 [0,2,0,0,0,0|1,1,0]=4 4337 B15R1.796 CCOC(=O)CCN(C)Cc1cccs1 269982a_100000184426_100011206558 [0,2,0,0,0,0|1,1,0]=4 4338 B15R1.796 CCOC(=O)CCN(C)Cc1ncco1 2230a_100000745921_103436540062 [0,2,0,0,0,0|2,0,0]=4 4339 B15R1.796 CCOC(=O)CCN(C)Cc1ncco1 269982a_100000745921_103436540062 [0,2,0,0,0,0|2,0,0]=4 4340 B15R1.796 CCOC(=O)CNC(=O)Cc1ccco1 188690a_100000741813_100011217309 [0,2,0,0,0,0|2,0,0]=4 4341 B15R1.796 CCOC(=O)COC(C)Cc1ccco1 34a_100011803939_100000188475 [0,2,0,0,0,0|2,0,0]=4 4342 B15R1.796 CCOC(=O)COC(C)Cc1ccco1 7a_100011803939_100000188475 [0,2,0,0,0,0|2,0,0]=4 4343 B15R1.1220 C=CCNC(=O)CCNCc1ccco1 2230a_100000185738_100011222895 [0,2,0,0,0,0|2,0,0]=4 4344 B15R1.1220 C=CCNC(=O)CCSCc1ncco1 62a_100011222895_103436540062 [0,2,0,0,0,0|2,0,0]=4 4345 B15R1.1220 C=CCNC(=O)CCSCc1ncco1 62a_103436540062_100011222895 [0,2,0,0,0,0|2,0,0]=4 4346 B15R1.1220 C=CCOC(=O)CNCCc1ccco1 2230a_100000694680_100000033060 [0,2,0,0,0,0|2,0,0]=4 4347 B15R1.1220 C=CCOC(=O)CNCCc1ccco1 34a_100000694680_100000033060 [0,2,0,0,0,0|2,0,0]=4 4348 B15R1.1220 CCCOC(=O)CNCCc1ccco1 2230a_100000694680_200011215008 [0,2,0,0,0,0|2,0,0]=4 4349 B15R1.1220 CCCOC(=O)CNCCc1ccco1 34a_100000694680_200011215008 [0,2,0,0,0,0|2,0,0]=4 4350 B15R1.1220 CCCOC(=O)OCNCc1ccco1 34a_100000185738_200000139673 [0,2,0,0,0,0|2,0,0]=4 4351 B15R1.1220 CCCOC(=O)OCOCc1ccco1 34a_100000210059_200000139673 [0,2,0,0,0,0|1,1,0]=4 4352 B15R1.1220 CCCOC(=O)OCSCc1ncco1 62a_103436540062_200000139673 [0,2,0,0,0,0|2,0,0]=4 4353 B15R1.1220 COCCC(=O)CCCCc1cccs1 1458a_100011216592_100000233755 [0,2,0,0,0,0|1,1,0]=4 4354 B15R1.3857 CCNC(=O)CCNCc1occc1Br 270004a_100025743525_100000756499 [0,2,0,0,0,0|2,0,0]=4 4355 B15R1.3857 CCNC(=O)CCNCc1occc1C 207a_100025743525_100000763527 [0,2,0,0,0,0|2,0,0]=4 4356 B15R1.3857 CCNC(=O)CCNCc1occc1C 270004a_100025743525_100000763527 [0,2,0,0,0,0|2,0,0]=4 4357 B15R1.3857 CCNC(=O)CCOCc1occc1C 7a_100011273948_100000737597 [0,2,0,0,0,0|1,1,0]=4 4358 B15R1.3857 CCOC(=O)CCNCc1cccn1C 34a_100011219357_100000765890 [0,2,0,0,0,0|2,0,0]=4 4359 B15R1.3857 CCOC(=O)CCNCc1sccc1C 2230a_100000238519_100011206558 [0,2,0,0,0,0|1,1,0]=4 4360 B15R1.3857 CCOC(=O)CCNCc1sccc1C 34a_100000238519_100000765890 [0,2,0,0,0,0|1,1,0]=4 4361 B15R1.3857 CCOC(=O)CCNCc1sccc1Cl 2230a_100011934584_100011206558 [0,2,0,0,0,0|1,1,0]=4 4362 B15R1.3857 CCOC(=O)CCNCc1sccc1Cl 34a_100011934584_100000765890 [0,2,0,0,0,0|1,1,0]=4 4363 B15R1.3857 CCOC(=O)CCOCc1occc1C 34a_100011273948_100000765890 [0,2,0,0,0,0|0,1,0]=3 4364 B15R1.3857 CCOC(=O)CCOCc1occc1C 7a_100011273948_100011206558 [0,2,0,0,0,0|0,1,0]=3 4365 B15R1.3857 CCOC(=O)CCOCc1ocnc1C 34a_100000717716_100000765890 [0,2,0,0,0,0|1,1,0]=4 4366 B15R1.3857 CCOC(=O)CCOCc1ocnc1C 7a_100000717716_100011206558 [0,2,0,0,0,0|1,1,0]=4 4367 B15R1.3857 CCOC(=O)CCOCc1oncc1C 34a_200011065769_100000765890 [0,2,0,0,0,0|1,1,0]=4 4368 B15R1.3857 CCOC(=O)CCOCc1sccc1Br 34a_100000702026_100000765890 [0,2,0,0,0,0|0,2,0]=4 4369 B15R1.3857 CCOC(=O)CCOCc1sccc1C 34a_100000238368_100000765890 [0,2,0,0,0,0|0,2,0]=4 4370 B15R1.3857 CCOC(=O)CCOCc1sccc1C 7a_100000238368_100011206558 [0,2,0,0,0,0|0,2,0]=4 4371 B15R1.3857 CCOC(=O)CCOCc1sccc1Cl 34a_100000722387_100000765890 [0,2,0,0,0,0|0,2,0]=4 4372 B15R1.3857 CCOC(=O)CCOCc1sccc1Cl 7a_100000722387_100011206558 [0,2,0,0,0,0|0,2,0]=4 4373 B15R1.3857 CCOC(=O)CCSCc1ccnn1C 62a_100000691648_100000765890 [0,2,0,0,0,0|2,0,0]=4 4374 B15R1.3857 CCOC(=O)CCSCc1ccnn1C 62a_100000765890_100000691648 [0,2,0,0,0,0|2,0,0]=4 4375 B15R1.3857 CCOC(=O)CCSCc1ccsc1Br 62a_100000765890_100009814289 [0,2,0,0,0,0|2,0,0]=4 4376 B15R1.3857 CCOC(=O)CCSCc1ccsc1Br 62a_100009814289_100000765890 [0,2,0,0,0,0|2,0,0]=4 4377 B15R1.3857 CCOC(=O)CCSCc1ccsc1Cl 62a_100000765890_100010167017 [0,2,0,0,0,0|2,0,0]=4 4378 B15R1.3857 CCOC(=O)CCSCc1ccsc1Cl 62a_100010167017_100000765890 [0,2,0,0,0,0|2,0,0]=4 4379 B15R1.3857 CCOC(=O)CCSCc1nc[nH]c1C 62a_100000751220_100000765890 [0,2,0,0,0,0|2,0,0]=4 4380 B15R1.3857 CCOC(=O)CCSCc1nc[nH]c1C 62a_100000765890_100000751220 [0,2,0,0,0,0|2,0,0]=4 4381 B15R1.3857 CCOC(=O)CCSCc1nccn1C 62a_100000700302_100000765890 [0,2,0,0,0,0|2,0,0]=4 4382 B15R1.3857 CCOC(=O)CCSCc1nccn1C 62a_100000765890_100000700302 [0,2,0,0,0,0|2,0,0]=4 4383 B15R1.3857 CCOC(=O)CCSCc1ncoc1C 62a_100000765890_200000693990 [0,2,0,0,0,0|2,0,0]=4 4384 B15R1.3857 CCOC(=O)CCSCc1ncoc1C 62a_200000693990_100000765890 [0,2,0,0,0,0|2,0,0]=4 4385 B15R1.5503 CC(C)NC(=O)CCNCc1ccco1 2230a_100000185738_100000737564 [0,2,0,0,0,0|2,0,0]=4 4386 B15R1.5503 CC(C)NC(=O)CCSCc1ncco1 62a_100000737564_103436540062 [0,2,0,0,0,0|2,0,0]=4 4387 B15R1.5503 CC(C)NC(=O)CCSCc1ncco1 62a_103436540062_100000737564 [0,2,0,0,0,0|2,0,0]=4 4388 B15R1.5503 CC(C)OC(=O)CCNCc1ccco1 2230a_100000185738_100000760027 [0,2,0,0,0,0|1,0,0]=3 4389 B15R1.5503 CC(C)OC(=O)CCNCc1cccs1 2230a_100000211653_100000760027 [0,2,0,0,0,0|1,1,0]=4 4390 B15R1.5503 CC(C)OC(=O)CCNCc1ncco1 2230a_100016994969_100000760027 [0,2,0,0,0,0|2,0,0]=4 4391 B15R1.5503 CC(C)OC(=O)CCSCc1c[nH]cn1 62a_100000707719_100000760027 [0,2,0,0,0,0|2,0,0]=4 4392 B15R1.5503 CC(C)OC(=O)CCSCc1c[nH]cn1 62a_100000760027_100000707719 [0,2,0,0,0,0|2,0,0]=4 4393 B15R1.5503 CC(C)OC(=O)CCSCc1ccn[nH]1 62a_100000728653_100000760027 [0,2,0,0,0,0|2,0,0]=4 4394 B15R1.5503 CC(C)OC(=O)CCSCc1ccn[nH]1 62a_100000760027_100000728653 [0,2,0,0,0,0|2,0,0]=4 4395 B15R1.5503 CC(C)OC(=O)CCSCc1ccon1 62a_100000234950_100000760027 [0,2,0,0,0,0|2,0,0]=4 4396 B15R1.5503 CC(C)OC(=O)CCSCc1ccon1 62a_100000760027_100000234950 [0,2,0,0,0,0|2,0,0]=4 4397 B15R1.5503 CC(C)OC(=O)CCSCc1ccsc1 62a_100000760027_100011233845 [0,2,0,0,0,0|2,0,0]=4 4398 B15R1.5503 CC(C)OC(=O)CCSCc1ccsc1 62a_100011261437_100000760027 [0,2,0,0,0,0|2,0,0]=4 4399 B15R1.5503 CC(C)OC(=O)CCSCc1cncs1 62a_100000760027_100015185245 [0,2,0,0,0,0|1,1,0]=4 4400 B15R1.5503 CC(C)OC(=O)CCSCc1cncs1 62a_100015185245_100000760027 [0,2,0,0,0,0|1,1,0]=4 4401 B15R1.5503 CC(C)OC(=O)CCSCc1cscn1 62a_100000205941_100000760027 [0,2,0,0,0,0|2,0,0]=4 4402 B15R1.5503 CC(C)OC(=O)CCSCc1cscn1 62a_100000760027_100000205941 [0,2,0,0,0,0|2,0,0]=4 4403 B15R1.5503 CC(C)OC(=O)CCSCc1ncc[nH]1 62a_100000760027_100016991755 [0,2,0,0,0,0|2,0,0]=4 4404 B15R1.5503 CC(C)OC(=O)CCSCc1ncc[nH]1 62a_100016991755_100000760027 [0,2,0,0,0,0|2,0,0]=4 4405 B15R1.5503 CC(C)OC(=O)CCSCc1ncco1 62a_100000760027_103436540062 [0,2,0,0,0,0|1,0,0]=3 4406 B15R1.5503 CC(C)OC(=O)CCSCc1ncco1 62a_103436540062_100000760027 [0,2,0,0,0,0|1,0,0]=3 4407 B15R1.5503 CC(C)OC(=O)CCSCc1nccs1 62a_100000760027_100015184050 [0,2,0,0,0,0|1,1,0]=4 4408 B15R1.5503 CC(C)OC(=O)CCSCc1nccs1 62a_100015184050_100000760027 [0,2,0,0,0,0|1,1,0]=4 4409 B15R1.5503 CC(C)OC(=O)CNCCc1ccco1 2230a_100000694680_100011215430 [0,2,0,0,0,0|2,0,0]=4 4410 B15R1.5503 CC(C)OC(=O)CNCCc1ccco1 34a_100000694680_100011215430 [0,2,0,0,0,0|2,0,0]=4 4411 B15R1.5503 CC(C)OC(=O)OCSCc1ncco1 62a_100000003507_103436540062 [0,2,0,0,0,0|2,0,0]=4 4412 B15R1.5503 CC(C)OC(=O)OCSCc1ncco1 62a_103436540062_100000003507 [0,2,0,0,0,0|2,0,0]=4 4413 B15R1.9921 C=C(CNCc1ccco1)C(=O)OCC 34a_100000185738_100000755967 [0,2,0,0,0,0|1,0,1]=4 4414 B15R1.9921 C=C(COCc1ccco1)C(=O)OCC 34a_100000210059_100000755967 [0,2,0,0,0,0|0,1,1]=4 4415 B15R1.9921 C=C(CSCc1ncco1)C(=O)OCC 62a_100000755967_103436540062 [0,2,0,0,0,0|1,0,1]=4 4416 B15R1.9921 C=C(CSCc1ncco1)C(=O)OCC 62a_103436540062_100000755967 [0,2,0,0,0,0|1,0,1]=4 4417 B15R1.9921 CCOC(=O)C(=O)CSCc1ncco1 62a_100000211299_103436540062 [0,2,0,0,0,0|1,0,1]=4 4418 B15R1.9921 CCOC(=O)C(=O)CSCc1ncco1 62a_103436540062_100000211299 [0,2,0,0,0,0|1,0,1]=4 4419 B15R1.9921 CCOC(=O)C(C)NCCc1ccco1 2230a_100000694680_100011215307 [0,2,0,0,0,0|2,0,0]=4 4420 B15R1.9921 CCOC(=O)C(C)NCCc1ccco1 34a_100000694680_100011216346 [0,2,0,0,0,0|2,0,0]=4 4421 B15R1.9921 CCOC(=O)C(F)NCCc1ccco1 2230a_100000694680_100000760018 [0,2,0,0,0,0|2,0,0]=4 4422 B15R1.9921 CCOC(=O)C(F)NCCc1ccco1 34a_100000694680_100000760018 [0,2,0,0,0,0|2,0,0]=4 4423 B15R1.43 CCc1cc(on1)COCCC(=O)OC 34a_100012002152_100000742370 [0,2,0,0,0,0|1,1,0]=4 4424 B15R1.43 CCc1cc(on1)CSCCC(=O)NC 62a_100000737683_100012000519 [0,2,0,0,0,0|2,0,0]=4 4425 B15R1.43 CCc1cc(on1)CSCCC(=O)NC 62a_100012000519_100000737683 [0,2,0,0,0,0|2,0,0]=4 4426 B15R1.43 CCc1cc(on1)CSCCC(=O)OC 62a_100000204255_100012000519 [0,2,0,0,0,0|1,0,0]=3 4427 B15R1.43 CCc1cc(on1)CSCCC(=O)OC 62a_100012000519_100000204255 [0,2,0,0,0,0|1,0,0]=3 4428 B15R1.43 CCc1cc(on1)CSCOC(=O)OC 62a_100012000519_100000139417 [0,2,0,0,0,0|2,0,0]=4 4429 B15R1.43 CCc1ccc(o1)CNCCC(=O)NC 207a_100000738227_100000743199 [0,2,0,0,0,0|2,0,0]=4 4430 B15R1.43 CCc1ccc(o1)CNCCC(=O)NC 270004a_100000738227_100000743199 [0,2,0,0,0,0|2,0,0]=4 4431 B15R1.43 CCc1nc(cs1)CSCCC(=O)OC 62a_100000204255_100020603300 [0,2,0,0,0,0|2,0,0]=4 4432 B15R1.43 CCc1nc(cs1)CSCCC(=O)OC 62a_100020603300_100000204255 [0,2,0,0,0,0|2,0,0]=4 4433 B15R1.43 CCc1noc(n1)CSCCC(=O)OC 62a_100000204255_100000735704 [0,2,0,0,0,0|2,0,0]=4 4434 B15R1.43 CCc1noc(n1)CSCCC(=O)OC 62a_100000735704_100000204255 [0,2,0,0,0,0|2,0,0]=4 4435 B15R1.43 CCn1ccc(n1)CSCCC(=O)OC 62a_100000094151_100000204255 [0,2,0,0,0,0|2,0,0]=4 4436 B15R1.43 CCn1ccc(n1)CSCCC(=O)OC 62a_100000204255_100000094151 [0,2,0,0,0,0|2,0,0]=4 4437 B15R1.43 CNC(=O)CCNCc1ccc(o1)C#N 2230a_100000738227_100009822536 [0,2,0,0,0,0|2,0,0]=4 4438 B15R1.43 CNC(=O)CCNCc1ccc(o1)C#N 34a_100000738227_100009822536 [0,2,0,0,0,0|2,0,0]=4 4439 B15R1.43 CNC(=O)CCNCc1ccc(o1)C=O 2230a_100000738227_200000079136 [0,2,0,0,0,0|2,0,0]=4 4440 B15R1.43 CNC(=O)CCNCc1ccc(o1)C=O 34a_100000738227_200000079136 [0,2,0,0,0,0|2,0,0]=4 4441 B15R1.43 CNC(=O)CCNCc1ccc(o1)CO 207a_100000738227_100000758743 [0,2,0,0,0,0|2,0,0]=4 4442 B15R1.43 CNC(=O)CCNCc1ccc(o1)CO 270004a_100000738227_100000758743 [0,2,0,0,0,0|2,0,0]=4 4443 B15R1.43 CNC(=O)CCOCc1ccc(o1)C#N 34a_100000754576_100009822536 [0,2,0,0,0,0|1,1,0]=4 4444 B15R1.43 CNC(=O)CCOCc1ccc(o1)C=O 34a_100000754576_200000079136 [0,2,0,0,0,0|1,1,0]=4 4445 B15R1.43 CNC(=O)CCSCc1ccc(o1)C#N 62a_100000737683_100009822536 [0,2,0,0,0,0|1,0,0]=3 4446 B15R1.43 CNC(=O)CCSCc1ccc(o1)C=O 62a_100000737683_200000079136 [0,2,0,0,0,0|1,0,0]=3 4447 B15R1.43 CNC(=O)CCSCc1ccc(s1)C#N 62a_100000737683_100010188212 [0,2,0,0,0,0|1,1,0]=4 4448 B15R1.43 COC(=O)CCCSc1ccc(o1)C#N 62a_100011218270_100000764468 [0,2,0,0,0,0|2,0,0]=4 4449 B15R1.43 COC(=O)CCCSc1ccc(o1)C=O 62a_100011218270_100000186757 [0,2,0,0,0,0|2,0,0]=4 4450 B15R1.43 COC(=O)CCCSc1ccc(o1)CN 62a_100011218270_100000708654 [0,2,0,0,0,0|2,0,0]=4 4451 B15R1.43 COC(=O)CCCSc1ccc(o1)CO 62a_100000246276_100011218270 [0,2,0,0,0,0|2,0,0]=4 4452 B15R1.43 COC(=O)CCCSc1ccc(o1)CO 62a_100011218270_100000246276 [0,2,0,0,0,0|2,0,0]=4 4453 B15R1.43 COC(=O)CCSCc1ccc(o1)C#N 62a_100000204255_100009822536 [0,2,0,0,0,0|0,0,0]=2 4454 B15R1.43 COC(=O)CCSCc1ccc(o1)C=O 62a_100000204255_200000079136 [0,2,0,0,0,0|0,0,0]=2 4455 B15R1.43 COC(=O)CCSCc1ccc(s1)C#N 62a_100000204255_100010188212 [0,2,0,0,0,0|0,1,0]=3 4456 B15R1.43 COC(=O)CCSCc1csc(c1)C=O 62a_100000070824_100000204255 [0,2,0,0,0,0|2,0,0]=4 4457 B15R1.43 COC(=O)CCSCc1csc(c1)C=O 62a_100000204255_100000070824 [0,2,0,0,0,0|2,0,0]=4 4458 B15R1.958 CNC(=O)CCNC(C)c1ccc(o1)C 269862a_100000738227_100000204583 [0,2,0,0,0,0|2,0,0]=4 4459 B15R1.958 COC(=O)CCNC(C)c1cc(cs1)Br 2230a_100159270200_100000204255 [0,2,0,0,0,0|1,1,0]=4 4460 B15R1.958 COC(=O)CCNC(C)c1cc(cs1)Br 34a_100159270200_100000742370 [0,2,0,0,0,0|1,1,0]=4 4461 B15R1.958 COC(=O)CCNC(C)c1ccc(s1)Br 2230a_100102723530_100000204255 [0,2,0,0,0,0|1,1,0]=4 4462 B15R1.958 COC(=O)CCNC(C)c1ccc(s1)Cl 2230a_100102723459_100000204255 [0,2,0,0,0,0|1,1,0]=4 4463 B15R1.963 CNC(=O)CCN(C)Cc1cc(co1)Br 270004a_100000750875_100000747035 [0,2,0,0,0,0|2,0,0]=4 4464 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000737683 [0,2,0,0,0,0|2,0,0]=4 4465 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000737683 [0,2,0,0,0,0|2,0,0]=4 4466 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)Br 270004a_100000750875_100000185145 [0,2,0,0,0,0|2,0,0]=4 4467 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000737683 [0,2,0,0,0,0|2,0,0]=4 4468 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000737683 [0,2,0,0,0,0|2,0,0]=4 4469 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)C 270004a_100000750875_100000183696 [0,2,0,0,0,0|2,0,0]=4 4470 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)C 34a_100000184526_100012179268 [0,2,0,0,0,0|2,0,0]=4 4471 B15R1.963 CNC(=O)CCN(C)Cc1ccc(o1)Cl 270004a_100000750875_100000188459 [0,2,0,0,0,0|2,0,0]=4 4472 B15R1.963 COC(=O)CCC(=O)Cc1cc(cs1)Br 1458a_100000187943_100000746031 [0,2,0,0,0,0|1,1,0]=4 4473 B15R1.963 COC(=O)CCC(=O)Cc1cc(no1)Br 1458a_100000187943_100000709089 [0,2,0,0,0,0|2,0,0]=4 4474 B15R1.963 COC(=O)CCC(=O)Cc1cc(no1)C 1458a_100000187943_100000707947 [0,2,0,0,0,0|2,0,0]=4 4475 B15R1.963 COC(=O)CCC(=O)Cc1ccc(s1)Br 1458a_100000187943_100000708592 [0,2,0,0,0,0|1,1,0]=4 4476 B15R1.963 COC(=O)CCC(=O)Cc1ccc(s1)Cl 1458a_100000187943_100000185097 [0,2,0,0,0,0|1,1,0]=4 4477 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)Br 2230a_100000207611_100000204255 [0,2,0,0,0,0|1,1,0]=4 4478 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)Br 269982a_100000207611_100000204255 [0,2,0,0,0,0|1,1,0]=4 4479 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)Br 269982a_100025711912_100000746031 [0,2,0,0,0,0|1,1,0]=4 4480 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)C 2230a_100011502060_100000204255 [0,2,0,0,0,0|1,1,0]=4 4481 B15R1.963 COC(=O)CCN(C)Cc1cc(cs1)C 269982a_100011502060_100000204255 [0,2,0,0,0,0|1,1,0]=4 4482 B15R1.963 COC(=O)CCN(C)Cc1cc(no1)Br 269982a_100025711912_100000709089 [0,2,0,0,0,0|2,0,0]=4 4483 B15R1.963 COC(=O)CCN(C)Cc1cc(no1)C 269982a_100025711912_100000707947 [0,2,0,0,0,0|2,0,0]=4 4484 B15R1.963 COC(=O)CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000204255 [0,2,0,0,0,0|1,0,0]=3 4485 B15R1.963 COC(=O)CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000204255 [0,2,0,0,0,0|1,0,0]=3 4486 B15R1.963 COC(=O)CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000204255 [0,2,0,0,0,0|1,0,0]=3 4487 B15R1.963 COC(=O)CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000204255 [0,2,0,0,0,0|1,0,0]=3 4488 B15R1.963 COC(=O)CCN(C)Cc1ccc(o1)C 34a_100000184526_100000742370 [0,2,0,0,0,0|1,0,0]=3 4489 B15R1.963 COC(=O)CCN(C)Cc1ccc(s1)Br 269982a_100025711912_100000708592 [0,2,0,0,0,0|1,1,0]=4 4490 B15R1.963 COC(=O)CCN(C)Cc1ccc(s1)C 2230a_100000751125_100000204255 [0,2,0,0,0,0|1,1,0]=4 4491 B15R1.963 COC(=O)CCN(C)Cc1ccc(s1)C 269982a_100000751125_100000204255 [0,2,0,0,0,0|1,1,0]=4 4492 B15R1.963 COC(=O)CCN(C)Cc1ccc(s1)Cl 269982a_100025711912_100000185097 [0,2,0,0,0,0|1,1,0]=4 4493 B15R1.1320 C=C(CNCc1ccc(o1)Br)C(=O)OC 34a_100000708654_100009813391 [0,2,0,0,0,0|1,0,1]=4 4494 B15R1.1320 C=C(CNCc1ccc(o1)C)C(=O)OC 34a_100011194323_100009813391 [0,2,0,0,0,0|1,0,1]=4 4495 B15R1.1320 C=C(COCc1ccc(o1)Br)C(=O)OC 34a_100000246276_100009813391 [0,2,0,0,0,0|0,1,1]=4 4496 B15R1.1320 C=C(COCc1ccc(o1)C)C(=O)OC 34a_100011232665_100009813391 [0,2,0,0,0,0|0,1,1]=4 4497 B15R1.1320 C=C(CSCc1cc(cs1)Br)C(=O)OC 62a_100000746031_100009813391 [0,2,0,0,0,0|0,1,1]=4 4498 B15R1.1320 C=C(CSCc1cc(cs1)Br)C(=O)OC 62a_100009813391_100000746031 [0,2,0,0,0,0|0,1,1]=4 4499 B15R1.1320 C=C(CSCc1cc(no1)Br)C(=O)OC 62a_100000709089_100009813391 [0,2,0,0,0,0|1,0,1]=4 4500 B15R1.1320 C=C(CSCc1cc(no1)Br)C(=O)OC 62a_100009813391_100000709089 [0,2,0,0,0,0|1,0,1]=4 4501 B15R1.1320 C=C(CSCc1cc(no1)C)C(=O)OC 62a_100000707947_100009813391 [0,2,0,0,0,0|1,0,1]=4 4502 B15R1.1320 C=C(CSCc1cc(no1)C)C(=O)OC 62a_100009813391_100000707947 [0,2,0,0,0,0|1,0,1]=4 4503 B15R1.1320 C=C(CSCc1ccc(s1)Br)C(=O)OC 62a_100000708592_100009813391 [0,2,0,0,0,0|0,1,1]=4 4504 B15R1.1320 C=C(CSCc1ccc(s1)Br)C(=O)OC 62a_100009813391_100000708592 [0,2,0,0,0,0|0,1,1]=4 4505 B15R1.1320 C=C(CSCc1ccc(s1)Cl)C(=O)OC 62a_100000185097_100009813391 [0,2,0,0,0,0|0,1,1]=4 4506 B15R1.1320 C=C(CSCc1ccc(s1)Cl)C(=O)OC 62a_100009813391_100000185097 [0,2,0,0,0,0|0,1,1]=4 4507 B15R1.1320 CNC(=O)C(C)CNCc1cc(co1)Br 270004a_100015187722_100000747035 [0,2,0,0,0,0|2,0,0]=4 4508 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)Br 207a_100015187722_100000185145 [0,2,0,0,0,0|2,0,0]=4 4509 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)Br 270004a_100015187722_100000185145 [0,2,0,0,0,0|2,0,0]=4 4510 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)C 207a_100015187722_100000183696 [0,2,0,0,0,0|2,0,0]=4 4511 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)C 270004a_100015187722_100000183696 [0,2,0,0,0,0|2,0,0]=4 4512 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)Cl 207a_100015187722_100000188459 [0,2,0,0,0,0|2,0,0]=4 4513 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)Cl 270004a_100015187722_100000188459 [0,2,0,0,0,0|2,0,0]=4 4514 B15R1.1320 CNC(=O)C(C)CNCc1ccc(o1)I 207a_100015187722_100000186757 [0,2,0,0,0,0|2,0,0]=4 4515 B15R1.1320 COC(=O)C(=O)CNCc1ccc(o1)Br 34a_100000708654_100011610305 [0,2,0,0,0,0|1,0,1]=4 4516 B15R1.1320 COC(=O)C(=O)CNCc1ccc(o1)C 34a_100011194323_100011610305 [0,2,0,0,0,0|1,0,1]=4 4517 B15R1.1320 COC(=O)C(=O)COCc1ccc(o1)Br 34a_100000246276_100011610305 [0,2,0,0,0,0|0,1,1]=4 4518 B15R1.1320 COC(=O)C(=O)COCc1ccc(o1)C 34a_100011232665_100011610305 [0,2,0,0,0,0|0,1,1]=4 4519 B15R1.1320 COC(=O)C(=O)CSCc1cc(cs1)Br 62a_100000746031_100011610305 [0,2,0,0,0,0|0,1,1]=4 4520 B15R1.1320 COC(=O)C(=O)CSCc1cc(cs1)Br 62a_100011610305_100000746031 [0,2,0,0,0,0|0,1,1]=4 4521 B15R1.1320 COC(=O)C(=O)CSCc1cc(no1)Br 62a_100000709089_100011610305 [0,2,0,0,0,0|1,0,1]=4 4522 B15R1.1320 COC(=O)C(=O)CSCc1cc(no1)Br 62a_100011610305_100000709089 [0,2,0,0,0,0|1,0,1]=4 4523 B15R1.1320 COC(=O)C(=O)CSCc1cc(no1)C 62a_100000707947_100011610305 [0,2,0,0,0,0|1,0,1]=4 4524 B15R1.1320 COC(=O)C(=O)CSCc1cc(no1)C 62a_100011610305_100000707947 [0,2,0,0,0,0|1,0,1]=4 4525 B15R1.1320 COC(=O)C(=O)CSCc1ccc(s1)Br 62a_100000708592_100011610305 [0,2,0,0,0,0|0,1,1]=4 4526 B15R1.1320 COC(=O)C(=O)CSCc1ccc(s1)Br 62a_100011610305_100000708592 [0,2,0,0,0,0|0,1,1]=4 4527 B15R1.1320 COC(=O)C(=O)CSCc1ccc(s1)Cl 62a_100000185097_100011610305 [0,2,0,0,0,0|0,1,1]=4 4528 B15R1.1320 COC(=O)C(=O)CSCc1ccc(s1)Cl 62a_100011610305_100000185097 [0,2,0,0,0,0|0,1,1]=4 4529 B15R1.1320 COC(=O)C(C)CNCc1cc(cs1)Br 34a_100000741024_100000698445 [0,2,0,0,0,0|1,1,0]=4 4530 B15R1.1320 COC(=O)C(C)CNCc1cc(cs1)C 34a_100015204214_100000698445 [0,2,0,0,0,0|1,1,0]=4 4531 B15R1.1320 COC(=O)C(C)CNCc1cc(no1)Br 34a_100015193020_100000698445 [0,2,0,0,0,0|2,0,0]=4 4532 B15R1.1320 COC(=O)C(C)CNCc1cc(no1)C 34a_100000745748_100000698445 [0,2,0,0,0,0|2,0,0]=4 4533 B15R1.1320 COC(=O)C(C)CNCc1ccc(o1)Br 34a_100000708654_100000698445 [0,2,0,0,0,0|1,0,0]=3 4534 B15R1.1320 COC(=O)C(C)CNCc1ccc(o1)C 34a_100011194323_100000698445 [0,2,0,0,0,0|1,0,0]=3 4535 B15R1.1320 COC(=O)C(C)CNCc1ncc(o1)C 34a_100138411809_100000698445 [0,2,0,0,0,0|2,0,0]=4 4536 B15R1.1320 COC(=O)C(C)COCc1cc(cs1)Br 34a_100000238369_100000698445 [0,2,0,0,0,0|0,2,0]=4 4537 B15R1.1320 COC(=O)C(C)COCc1cc(cs1)Br 34a_100000749362_100000746031 [0,2,0,0,0,0|0,2,0]=4 4538 B15R1.1320 COC(=O)C(C)COCc1cc(cs1)Br 7a_100000749362_100000746031 [0,2,0,0,0,0|0,2,0]=4 4539 B15R1.1320 COC(=O)C(C)COCc1cc(cs1)C 34a_200000068372_100000698445 [0,2,0,0,0,0|0,2,0]=4 4540 B15R1.1320 COC(=O)C(C)COCc1cc(no1)Br 34a_100009816691_100000698445 [0,2,0,0,0,0|1,1,0]=4 4541 B15R1.1320 COC(=O)C(C)COCc1cc(no1)Br 7a_100000749362_100000709089 [0,2,0,0,0,0|1,1,0]=4 4542 B15R1.1320 COC(=O)C(C)COCc1cc(no1)C 34a_100000684692_100000698445 [0,2,0,0,0,0|1,1,0]=4 4543 B15R1.1320 COC(=O)C(C)COCc1cc(no1)C 34a_100000749362_100000707947 [0,2,0,0,0,0|1,1,0]=4 4544 B15R1.1320 COC(=O)C(C)COCc1cc(no1)C 7a_100000749362_100000707947 [0,2,0,0,0,0|1,1,0]=4 4545 B15R1.1320 COC(=O)C(C)COCc1ccc(o1)Br 34a_100000246276_100000698445 [0,2,0,0,0,0|0,1,0]=3 4546 B15R1.1320 COC(=O)C(C)COCc1ccc(o1)C 34a_100011232665_100000698445 [0,2,0,0,0,0|0,1,0]=3 4547 B15R1.1320 COC(=O)C(C)COCc1ccc(s1)Br 34a_100000749362_100000708592 [0,2,0,0,0,0|0,2,0]=4 4548 B15R1.1320 COC(=O)C(C)COCc1ccc(s1)Br 7a_100000749362_100000708592 [0,2,0,0,0,0|0,2,0]=4 4549 B15R1.1320 COC(=O)C(C)COCc1ccc(s1)C 34a_100000238367_100000698445 [0,2,0,0,0,0|0,2,0]=4 4550 B15R1.1320 COC(=O)C(C)COCc1ccc(s1)Cl 34a_100000749362_100000185097 [0,2,0,0,0,0|0,2,0]=4 4551 B15R1.1320 COC(=O)C(C)COCc1ccc(s1)Cl 7a_100000749362_100000185097 [0,2,0,0,0,0|0,2,0]=4 4552 B15R1.1320 COC(=O)C(C)CSCC1=CC(=O)OC1 62a_100000698445_100000716558 [0,2,0,0,0,0|2,0,0]=4 4553 B15R1.1320 COC(=O)C(C)CSCC1=CC(=O)OC1 62a_100000716558_100000698445 [0,2,0,0,0,0|2,0,0]=4 4554 B15R1.1320 COC(=O)C(C)CSCc1cc(cs1)Br 62a_100000698445_100000746031 [0,2,0,0,0,0|0,1,0]=3 4555 B15R1.1320 COC(=O)C(C)CSCc1cc(cs1)Br 62a_100000746031_100000698445 [0,2,0,0,0,0|0,1,0]=3 4556 B15R1.1320 COC(=O)C(C)CSCc1cc(no1)Br 62a_100000698445_100000709089 [0,2,0,0,0,0|1,0,0]=3 4557 B15R1.1320 COC(=O)C(C)CSCc1cc(no1)Br 62a_100000709089_100000698445 [0,2,0,0,0,0|1,0,0]=3 4558 B15R1.1320 COC(=O)C(C)CSCc1cc(no1)C 62a_100000698445_100000707947 [0,2,0,0,0,0|1,0,0]=3 4559 B15R1.1320 COC(=O)C(C)CSCc1cc(no1)C 62a_100000707947_100000698445 [0,2,0,0,0,0|1,0,0]=3 4560 B15R1.1320 COC(=O)C(C)CSCc1cc(on1)C 62a_100000199038_100000698445 [0,2,0,0,0,0|2,0,0]=4 4561 B15R1.1320 COC(=O)C(C)CSCc1cc(on1)C 62a_100000698445_100000199038 [0,2,0,0,0,0|2,0,0]=4 4562 B15R1.1320 COC(=O)C(C)CSCc1ccc(s1)Br 62a_100000698445_100000708592 [0,2,0,0,0,0|0,1,0]=3 4563 B15R1.1320 COC(=O)C(C)CSCc1ccc(s1)Br 62a_100000708592_100000698445 [0,2,0,0,0,0|0,1,0]=3 4564 B15R1.1320 COC(=O)C(C)CSCc1ccc(s1)Cl 62a_100000185097_100000698445 [0,2,0,0,0,0|0,1,0]=3 4565 B15R1.1320 COC(=O)C(C)CSCc1ccc(s1)Cl 62a_100000698445_100000185097 [0,2,0,0,0,0|0,1,0]=3 4566 B15R1.1320 COC(=O)C(C)CSCc1ccn(n1)C 62a_100000698445_100000726502 [0,2,0,0,0,0|2,0,0]=4 4567 B15R1.1320 COC(=O)C(C)CSCc1ccn(n1)C 62a_100000726502_100000698445 [0,2,0,0,0,0|2,0,0]=4 4568 B15R1.1320 COC(=O)C(C)CSCc1cn(cn1)C 62a_100000698445_100000717665 [0,2,0,0,0,0|2,0,0]=4 4569 B15R1.1320 COC(=O)C(C)CSCc1cn(cn1)C 62a_100000717665_100000698445 [0,2,0,0,0,0|2,0,0]=4 4570 B15R1.1320 COC(=O)C(C)CSCc1cnc(s1)Br 62a_100000698445_100000717027 [0,2,0,0,0,0|1,1,0]=4 4571 B15R1.1320 COC(=O)C(C)CSCc1cnc(s1)Br 62a_100000717027_100000698445 [0,2,0,0,0,0|1,1,0]=4 4572 B15R1.1320 COC(=O)C(C)CSCc1cnc(s1)C 62a_100000698445_100020635045 [0,2,0,0,0,0|1,1,0]=4 4573 B15R1.1320 COC(=O)C(C)CSCc1cnc(s1)C 62a_100020635045_100000698445 [0,2,0,0,0,0|1,1,0]=4 4574 B15R1.1320 COC(=O)C(C)CSCc1cnc(s1)Cl 62a_100000058068_100000698445 [0,2,0,0,0,0|1,1,0]=4 4575 B15R1.1320 COC(=O)C(C)CSCc1cnc(s1)Cl 62a_100000698445_100000058068 [0,2,0,0,0,0|1,1,0]=4 4576 B15R1.1320 COC(=O)C(C)CSCc1csc(n1)C 62a_100000698445_100015186478 [0,2,0,0,0,0|2,0,0]=4 4577 B15R1.1320 COC(=O)C(C)CSCc1csc(n1)C 62a_100015186478_100000698445 [0,2,0,0,0,0|2,0,0]=4 4578 B15R1.1320 COC(=O)C(C)CSCc1csc(n1)Cl 62a_100000024076_100000698445 [0,2,0,0,0,0|2,0,0]=4 4579 B15R1.1320 COC(=O)C(C)CSCc1csc(n1)Cl 62a_100000698445_100000024076 [0,2,0,0,0,0|2,0,0]=4 4580 B15R1.1320 COC(=O)C(C)CSCc1nc(no1)C 62a_100000698445_100000735555 [0,2,0,0,0,0|2,0,0]=4 4581 B15R1.1320 COC(=O)C(C)CSCc1nc(no1)C 62a_100000735555_100000698445 [0,2,0,0,0,0|2,0,0]=4 4582 B15R1.1320 COC(=O)C(C)CSCc1nnc(o1)C 62a_100000181450_100000698445 [0,2,0,0,0,0|2,0,0]=4 4583 B15R1.1320 COC(=O)C(C)CSCc1nnc(o1)C 62a_100000698445_100000181450 [0,2,0,0,0,0|2,0,0]=4 4584 B15R1.1320 COC(=O)C(C)NCCc1ccc(o1)C 2230a_100000739271_100000211248 [0,2,0,0,0,0|2,0,0]=4 4585 B15R1.1320 COC(=O)C(C)NCCc1ccc(o1)C 34a_100000739271_100000211248 [0,2,0,0,0,0|2,0,0]=4 4586 B15R1.1320 COC(=O)C(C)OCCc1ccc(o1)C 34a_100012161071_100000211248 [0,2,0,0,0,0|2,0,0]=4 4587 B15R1.1320 COC(=O)C(C)OCCc1ccc(o1)C 7a_100012161071_100000211248 [0,2,0,0,0,0|2,0,0]=4 4588 B15R1.1320 COC(=O)C(F)COCc1cc(cs1)Br 34a_200009849844_100000746031 [0,2,0,0,0,0|0,2,0]=4 4589 B15R1.1320 COC(=O)C(F)COCc1cc(no1)C 34a_200009849844_100000707947 [0,2,0,0,0,0|1,1,0]=4 4590 B15R1.1320 COC(=O)C(F)COCc1ccc(s1)Br 34a_200009849844_100000708592 [0,2,0,0,0,0|0,2,0]=4 4591 B15R1.1320 COC(=O)C(F)COCc1ccc(s1)Cl 34a_200009849844_100000185097 [0,2,0,0,0,0|0,2,0]=4 4592 B15R1.1320 COC(=O)[C@H](N)COCc1cc(cs1)Br 34a_100000003586_100000746031 [0,2,0,0,0,0|0,2,0]=4 4593 B15R1.1320 COC(=O)[C@H](N)COCc1cc(no1)C 34a_100000003586_100000707947 [0,2,0,0,0,0|1,1,0]=4 4594 B15R1.1320 COC(=O)[C@H](N)COCc1ccc(s1)Br 34a_100000003586_100000708592 [0,2,0,0,0,0|0,2,0]=4 4595 B15R1.1320 COC(=O)[C@H](N)COCc1ccc(s1)Cl 34a_100000003586_100000185097 [0,2,0,0,0,0|0,2,0]=4 4596 B15R1.5465 CN(C)C(=O)CCNCc1cc(co1)Br 270004a_100000738053_100000747035 [0,2,0,0,0,0|2,0,0]=4 4597 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)Br 207a_100000738053_100000185145 [0,2,0,0,0,0|2,0,0]=4 4598 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)Br 270004a_100000738053_100000185145 [0,2,0,0,0,0|2,0,0]=4 4599 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)Cl 207a_100000738053_100000188459 [0,2,0,0,0,0|2,0,0]=4 4600 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)Cl 270004a_100000738053_100000188459 [0,2,0,0,0,0|2,0,0]=4 4601 B15R1.5465 CN(C)C(=O)CCNCc1ccc(o1)I 207a_100000738053_100000186757 [0,2,0,0,0,0|2,0,0]=4 4602 B15R1.5465 CN(C)C(=O)CCOCc1ccc(o1)Br 7a_100000246276_100000737620 [0,2,0,0,0,0|1,1,0]=4 4603 B15R1.5465 CN(C)C(=O)CCSCc1cc(cs1)Br 62a_100000737620_100000746031 [0,2,0,0,0,0|1,1,0]=4 4604 B15R1.5465 CN(C)C(=O)CCSCc1cc(cs1)Br 62a_100000746031_100000737620 [0,2,0,0,0,0|1,1,0]=4 4605 B15R1.5465 CN(C)C(=O)CCSCc1cc(no1)Br 62a_100000709089_100000737620 [0,2,0,0,0,0|2,0,0]=4 4606 B15R1.5465 CN(C)C(=O)CCSCc1cc(no1)Br 62a_100000737620_100000709089 [0,2,0,0,0,0|2,0,0]=4 4607 B15R1.5465 CN(C)C(=O)CCSCc1ccc(s1)Br 62a_100000708592_100000737620 [0,2,0,0,0,0|1,1,0]=4 4608 B15R1.5465 CN(C)C(=O)CCSCc1ccc(s1)Br 62a_100000737620_100000708592 [0,2,0,0,0,0|1,1,0]=4 4609 B15R1.5465 CN(C)C(=O)CCSCc1ccc(s1)Cl 62a_100000185097_100000737620 [0,2,0,0,0,0|1,1,0]=4 4610 B15R1.5465 CN(C)C(=O)CCSCc1ccc(s1)Cl 62a_100000737620_100000185097 [0,2,0,0,0,0|1,1,0]=4 4611 B15R1.5465 Cc1cc(on1)CSCCC(=O)N(C)C 62a_100000707947_100000737620 [0,2,0,0,0,0|2,0,0]=4 4612 B15R1.5465 Cc1cc(on1)CSCCC(=O)N(C)C 62a_100000737620_100000707947 [0,2,0,0,0,0|2,0,0]=4 4613 B15R1.5465 Cc1ccc(o1)CNCCC(=O)N(C)C 207a_100000738053_100000183696 [0,2,0,0,0,0|2,0,0]=4 4614 B15R1.5465 Cc1ccc(o1)CNCCC(=O)N(C)C 270004a_100000738053_100000183696 [0,2,0,0,0,0|2,0,0]=4 4615 B15R1.5465 Cc1ccc(o1)COCCC(=O)N(C)C 7a_100011232665_100000737620 [0,2,0,0,0,0|1,1,0]=4 4616 B15R1.11445 COC(=O)CCNCc1ccc(n1C)C 34a_100000744627_100000742370 [0,2,0,0,0,0|2,0,0]=4 4617 B15R1.11505 CNC(=O)CCSCc1oc(=O)oc1C 62a_100000737683_100000068490 [0,2,0,0,0,0|2,0,0]=4 4618 B15R1.11505 COC(=O)CCSCc1cc(nn1C)C 62a_100000204255_100025716357 [0,2,0,0,0,0|2,0,0]=4 4619 B15R1.11505 COC(=O)CCSCc1cc(nn1C)C 62a_100025716357_100000204255 [0,2,0,0,0,0|2,0,0]=4 4620 B15R1.11505 COC(=O)CCSCc1nn(cc1Br)C 62a_100000204255_100009817083 [0,2,0,0,0,0|2,0,0]=4 4621 B15R1.11505 COC(=O)CCSCc1nn(cc1Br)C 62a_100009817083_100000204255 [0,2,0,0,0,0|2,0,0]=4 4622 B15R1.11505 COC(=O)CCSCc1oc(=O)oc1C 62a_100000204255_100000068490 [0,2,0,0,0,0|1,0,0]=3 4623 B15R1.11505 COC(=O)CCSCc1sc(nc1Br)C 62a_100000204255_100015664652 [0,2,0,0,0,0|1,1,0]=4 4624 B15R1.11505 COC(=O)CCSCc1sc(nc1Br)C 62a_100015664652_100000204255 [0,2,0,0,0,0|1,1,0]=4 4625 B15R1.11505 COC(=O)CCSCc1sc(nc1C)C 62a_100000204255_100000760948 [0,2,0,0,0,0|1,1,0]=4 4626 B15R1.11505 COC(=O)CCSCc1sc(nc1C)C 62a_100000760948_100000204255 [0,2,0,0,0,0|1,1,0]=4 4627 B15R1.11506 CNC(=O)CCNCc1cc(c(o1)Br)Br 207a_100000738227_100000188521 [0,2,0,0,0,0|2,0,0]=4 4628 B15R1.11506 CNC(=O)CCNCc1cc(c(o1)Br)Br 270004a_100000738227_100000188521 [0,2,0,0,0,0|2,0,0]=4 4629 B15R1.11506 COC(=O)CCSCc1cc(n(n1)C)C 62a_100000204255_100000761402 [0,2,0,0,0,0|2,0,0]=4 4630 B15R1.11506 COC(=O)CCSCc1cc(n(n1)C)C 62a_100000761402_100000204255 [0,2,0,0,0,0|2,0,0]=4 4631 B15R1.11506 COC(=O)CCSCc1nc(c(s1)C)C 62a_100000204255_100012347604 [0,2,0,0,0,0|1,1,0]=4 4632 B15R1.11506 COC(=O)CCSCc1nc(c(s1)C)C 62a_100000763442_100000204255 [0,2,0,0,0,0|1,1,0]=4 4633 B15R1.929 COC(=O)CCNC(C)(C)c1cccs1 2230a_100000757009_100000204255 [0,2,0,0,0,0|1,1,0]=4 4634 B15R1.929 COC(=O)CCOC(C)(C)c1cccs1 7a_100011410533_100000204255 [0,2,0,0,0,0|0,2,0]=4 4635 B15R1.932 CCC(NCCC(=O)NC)c1ccco1 2230a_100015202707_100000737683 [0,2,0,0,0,0|2,0,0]=4 4636 B15R1.932 CCC(NCCC(=O)NC)c1ccco1 269862a_100000738227_100000749595 [0,2,0,0,0,0|2,0,0]=4 4637 B15R1.932 CCC(NCCC(=O)OC)c1ccco1 2230a_100015202707_100000204255 [0,2,0,0,0,0|1,0,0]=3 4638 B15R1.932 CCC(NCCC(=O)OC)c1cccs1 2230a_100000743277_100000204255 [0,2,0,0,0,0|1,1,0]=4 4639 B15R1.932 CNC(=O)CCOC(CN)c1ccco1 34a_100000738650_100012179268 [0,2,0,0,0,0|1,1,0]=4 4640 B15R1.932 COC(=O)CCNC(CO)c1cccs1 2230a_100102422791_100000204255 [0,2,0,0,0,0|1,1,0]=4 4641 B15R1.932 COC(=O)CCOC(CN)c1ccco1 34a_100000738650_100000742370 [0,2,0,0,0,0|0,1,0]=3 4642 B15R1.960 C=C(CO[C@@H](C)c1ccco1)C(=O)OC 34a_100000755270_100009813391 [0,2,0,0,0,0|0,1,1]=4 4643 B15R1.960 COC(=O)C(=O)CO[C@@H](C)c1ccco1 34a_100000755270_100011610305 [0,2,0,0,0,0|0,1,1]=4 4644 B15R1.960 COC(=O)C(C)CO[C@@H](C)c1ccco1 34a_100000755270_100000698445 [0,2,0,0,0,0|0,1,0]=3 4645 B15R1.960 COC(=O)C(C)NCC(O)c1ccco1 2230a_100000738650_100000211248 [0,2,0,0,0,0|2,0,0]=4 4646 B15R1.3006 CNC(=O)CCN(C)C(C)c1ccco1 2230a_100000232712_100000737683 [0,2,0,0,0,0|2,0,0]=4 4647 B15R1.3006 CNC(=O)CCN(C)C(C)c1ccco1 269982a_100000232712_100000737683 [0,2,0,0,0,0|2,0,0]=4 4648 B15R1.3006 COC(=O)CCN(C)C(C)c1ccco1 2230a_100000232712_100000204255 [0,2,0,0,0,0|1,0,0]=3 4649 B15R1.3006 COC(=O)CCN(C)C(C)c1ccco1 269982a_100000232712_100000204255 [0,2,0,0,0,0|1,0,0]=3 4650 B15R1.3006 COC(=O)CCN(C)C(C)c1cccs1 2230a_100000186410_100000204255 [0,2,0,0,0,0|1,1,0]=4 4651 B15R1.3006 COC(=O)CCN(C)C(C)c1cccs1 269982a_100000186410_100000204255 [0,2,0,0,0,0|1,1,0]=4 4652 B15R1.3669 C[C@@H](NCCC(=O)N(C)C)c1ccco1 2230a_100160469435_100000737620 [0,2,0,0,0,0|2,0,0]=4 4653 B15R1.3669 C[C@H](OCCC(=O)N(C)C)c1ccco1 7a_100000755270_100000737620 [0,2,0,0,0,0|1,1,0]=4 4654 B15R1.1341 COC(=O)C(C)CN(C)Cc1ccco1 269982a_100000185268_100000698445 [0,2,0,0,0,0|1,0,0]=3 4655 B15R1.1341 COC(=O)C(C)CN(C)Cc1cccs1 269982a_100000184426_100000698445 [0,2,0,0,0,0|1,1,0]=4 4656 B15R1.1341 COC(=O)C(C)OC(C)Cc1ccco1 34a_100011803939_100000211248 [0,2,0,0,0,0|2,0,0]=4 4657 B15R1.1341 COC(=O)C(C)OC(C)Cc1ccco1 7a_100011803939_100000211248 [0,2,0,0,0,0|2,0,0]=4 4658 B15R1.1341 COC(=O)[C@@H](C)NC(=O)Cc1ccco1 188690a_100000687819_100011217309 [0,2,0,0,0,0|2,0,0]=4 4659 B15R1.3671 CN(CCC(=O)N(C)C)Cc1ccco1 2230a_100000185268_100000737620 [0,2,0,0,0,0|2,0,0]=4 4660 B15R1.3671 CN(CCC(=O)N(C)C)Cc1ccco1 269982a_100000185268_100000737620 [0,2,0,0,0,0|2,0,0]=4 4661 B15R1.3838 CCN(CCC(=O)NC)Cc1ccco1 2230a_100000739255_100000737683 [0,2,0,0,0,0|2,0,0]=4 4662 B15R1.3838 CCN(CCC(=O)NC)Cc1ccco1 269982a_100000739255_100000737683 [0,2,0,0,0,0|2,0,0]=4 4663 B15R1.3838 CCN(CCC(=O)OC)Cc1ccco1 2230a_100000739255_100000204255 [0,2,0,0,0,0|1,0,0]=3 4664 B15R1.3838 CCN(CCC(=O)OC)Cc1ccco1 269982a_100000739255_100000204255 [0,2,0,0,0,0|1,0,0]=3 4665 B15R1.3838 CCN(CCC(=O)OC)Cc1ccco1 270004a_100000229097_100000186105 [0,2,0,0,0,0|1,0,0]=3 4666 B15R1.3838 CCN(CCC(=O)OC)Cc1cccs1 2230a_100025770963_100000204255 [0,2,0,0,0,0|1,1,0]=4 4667 B15R1.3838 CCN(CCC(=O)OC)Cc1cccs1 269982a_100025770963_100000204255 [0,2,0,0,0,0|1,1,0]=4 4668 B15R1.3838 CCN(CCC(=O)OC)Cc1cccs1 270004a_100000229097_100000209959 [0,2,0,0,0,0|1,1,0]=4 4669 B15R1.3838 CCN(CCC(=O)OC)Cc1cnco1 270004a_100000229097_100000064291 [0,2,0,0,0,0|2,0,0]=4 4670 B15R1.3838 CCN(CCC(=O)OC)Cc1ncco1 2230a_100000229097_103436540062 [0,2,0,0,0,0|2,0,0]=4 4671 B15R1.3838 CCN(CCC(=O)OC)Cc1ncco1 269982a_100000229097_103436540062 [0,2,0,0,0,0|2,0,0]=4 4672 B15R1.3838 CCN(CCC(=O)OC)Cc1ncco1 270004a_100000229097_100000064290 [0,2,0,0,0,0|2,0,0]=4 4673 B15R1.5820 CNC(=O)CCN(C)Cc1occc1Br 270004a_100000750875_100000756499 [0,2,0,0,0,0|2,0,0]=4 4674 B15R1.5820 CNC(=O)CCN(C)Cc1occc1C 2230a_100000734364_100000737683 [0,2,0,0,0,0|2,0,0]=4 4675 B15R1.5820 CNC(=O)CCN(C)Cc1occc1C 269982a_100000734364_100000737683 [0,2,0,0,0,0|2,0,0]=4 4676 B15R1.5820 CNC(=O)CCN(C)Cc1occc1C 270004a_100000750875_100000763527 [0,2,0,0,0,0|2,0,0]=4 4677 B15R1.5820 COC(=O)CCN(C)Cc1cccn1C 2230a_100000188278_100000204255 [0,2,0,0,0,0|2,0,0]=4 4678 B15R1.5820 COC(=O)CCN(C)Cc1cccn1C 269982a_100000188278_100000204255 [0,2,0,0,0,0|2,0,0]=4 4679 B15R1.5820 COC(=O)CCN(C)Cc1occc1C 2230a_100000734364_100000204255 [0,2,0,0,0,0|1,0,0]=3 4680 B15R1.5820 COC(=O)CCN(C)Cc1occc1C 269982a_100000734364_100000204255 [0,2,0,0,0,0|1,0,0]=3 4681 B15R1.5820 COC(=O)CCN(C)Cc1sccc1Br 2230a_100000767120_100000204255 [0,2,0,0,0,0|1,1,0]=4 4682 B15R1.5820 COC(=O)CCN(C)Cc1sccc1Br 269982a_100000767120_100000204255 [0,2,0,0,0,0|1,1,0]=4 4683 B15R1.5820 COC(=O)CCN(C)Cc1sccc1C 2230a_100000695154_100000204255 [0,2,0,0,0,0|1,1,0]=4 4684 B15R1.5820 COC(=O)CCN(C)Cc1sccc1C 269982a_100000695154_100000204255 [0,2,0,0,0,0|1,1,0]=4 4685 B15R1.356 CN(C)C(=O)CCNCc1occc1Br 270004a_100000738053_100000756499 [0,2,0,0,0,0|2,0,0]=4 4686 B15R1.356 Cc1ccoc1CNCCC(=O)N(C)C 207a_100000738053_100000763527 [0,2,0,0,0,0|2,0,0]=4 4687 B15R1.356 Cc1ccoc1CNCCC(=O)N(C)C 270004a_100000738053_100000763527 [0,2,0,0,0,0|2,0,0]=4 4688 B15R1.356 Cc1ccoc1COCCC(=O)N(C)C 7a_100011273948_100000737620 [0,2,0,0,0,0|1,1,0]=4 4689 B15R1.1417 C=C(COCc1occc1C)C(=O)OC 34a_100011273948_100009813391 [0,2,0,0,0,0|0,1,1]=4 4690 B15R1.1417 CNC(=O)C(C)CNCc1occc1Br 270004a_100015187722_100000756499 [0,2,0,0,0,0|2,0,0]=4 4691 B15R1.1417 CNC(=O)C(C)CNCc1occc1C 207a_100015187722_100000763527 [0,2,0,0,0,0|2,0,0]=4 4692 B15R1.1417 CNC(=O)C(C)CNCc1occc1C 270004a_100015187722_100000763527 [0,2,0,0,0,0|2,0,0]=4 4693 B15R1.1417 COC(=O)C(=O)COCc1occc1C 34a_100011273948_100011610305 [0,2,0,0,0,0|0,1,1]=4 4694 B15R1.1417 COC(=O)C(C)CNCc1cccn1C 34a_100011219357_100000698445 [0,2,0,0,0,0|2,0,0]=4 4695 B15R1.1417 COC(=O)C(C)CNCc1sccc1C 34a_100000238519_100000698445 [0,2,0,0,0,0|1,1,0]=4 4696 B15R1.1417 COC(=O)C(C)CNCc1sccc1Cl 34a_100011934584_100000698445 [0,2,0,0,0,0|1,1,0]=4 4697 B15R1.1417 COC(=O)C(C)COCc1occc1C 34a_100011273948_100000698445 [0,2,0,0,0,0|0,1,0]=3 4698 B15R1.1417 COC(=O)C(C)COCc1ocnc1C 34a_100000717716_100000698445 [0,2,0,0,0,0|1,1,0]=4 4699 B15R1.1417 COC(=O)C(C)COCc1oncc1C 34a_200011065769_100000698445 [0,2,0,0,0,0|1,1,0]=4 4700 B15R1.1417 COC(=O)C(C)COCc1sccc1Br 34a_100000702026_100000698445 [0,2,0,0,0,0|0,2,0]=4 4701 B15R1.1417 COC(=O)C(C)COCc1sccc1C 34a_100000238368_100000698445 [0,2,0,0,0,0|0,2,0]=4 4702 B15R1.1417 COC(=O)C(C)COCc1sccc1Cl 34a_100000722387_100000698445 [0,2,0,0,0,0|0,2,0]=4 4703 B15R1.1417 COC(=O)C(C)CSCc1ccnn1C 62a_100000691648_100000698445 [0,2,0,0,0,0|2,0,0]=4 4704 B15R1.1417 COC(=O)C(C)CSCc1ccnn1C 62a_100000698445_100000691648 [0,2,0,0,0,0|2,0,0]=4 4705 B15R1.1417 COC(=O)C(C)CSCc1ccsc1Br 62a_100000698445_100009814289 [0,2,0,0,0,0|2,0,0]=4 4706 B15R1.1417 COC(=O)C(C)CSCc1ccsc1Br 62a_100009814289_100000698445 [0,2,0,0,0,0|2,0,0]=4 4707 B15R1.1417 COC(=O)C(C)CSCc1ccsc1Cl 62a_100000698445_100010167017 [0,2,0,0,0,0|2,0,0]=4 4708 B15R1.1417 COC(=O)C(C)CSCc1ccsc1Cl 62a_100010167017_100000698445 [0,2,0,0,0,0|2,0,0]=4 4709 B15R1.1417 COC(=O)C(C)CSCc1nc[nH]c1C 62a_100000698445_100000751220 [0,2,0,0,0,0|2,0,0]=4 4710 B15R1.1417 COC(=O)C(C)CSCc1nc[nH]c1C 62a_100000751220_100000698445 [0,2,0,0,0,0|2,0,0]=4 4711 B15R1.1417 COC(=O)C(C)CSCc1nccn1C 62a_100000698445_100000700302 [0,2,0,0,0,0|2,0,0]=4 4712 B15R1.1417 COC(=O)C(C)CSCc1nccn1C 62a_100000700302_100000698445 [0,2,0,0,0,0|2,0,0]=4 4713 B15R1.1417 COC(=O)C(C)CSCc1ncoc1C 62a_100000698445_200000693990 [0,2,0,0,0,0|2,0,0]=4 4714 B15R1.1417 COC(=O)C(C)CSCc1ncoc1C 62a_200000693990_100000698445 [0,2,0,0,0,0|2,0,0]=4 4715 B15R1.3529 CCn1cccc1CNCCC(=O)OC 2230a_103496549365_100000204255 [0,2,0,0,0,0|2,0,0]=4 4716 B15R1.3529 CCn1cccc1CNCCC(=O)OC 34a_103496549365_100000742370 [0,2,0,0,0,0|2,0,0]=4 4717 B15R1.3529 CCn1cncc1CSCCC(=O)OC 62a_100000204255_100015185705 [0,2,0,0,0,0|2,0,0]=4 4718 B15R1.3529 CCn1cncc1CSCCC(=O)OC 62a_100015185705_100000204255 [0,2,0,0,0,0|2,0,0]=4 4719 B15R1.3529 CCn1nccc1CSCCC(=O)OC 62a_100000204255_100025719316 [0,2,0,0,0,0|2,0,0]=4 4720 B15R1.3529 CCn1nccc1CSCCC(=O)OC 62a_100025719316_100000204255 [0,2,0,0,0,0|2,0,0]=4 4721 B15R1.3529 CNC(=O)CCNCc1occc1OC 207a_100000738227_200009856553 [0,2,0,0,0,0|2,0,0]=4 4722 B15R1.3529 CNC(=O)CCNCc1occc1OC 270004a_100000738227_200009856553 [0,2,0,0,0,0|2,0,0]=4 4723 B15R1.4685 CCC(NCCc1ccco1)C(=O)OC 2230a_100000694680_100000235869 [0,2,0,0,0,0|2,0,0]=4 4724 B15R1.4685 CCC(NCCc1ccco1)C(=O)OC 34a_100000694680_100000235869 [0,2,0,0,0,0|2,0,0]=4 4725 B15R1.4685 COC(=O)C(C=O)NCCc1ccco1 34a_100000694680_100000046368 [0,2,0,0,0,0|2,0,0]=4 4726 B15R1.4685 COC(=O)C(CO)NCCc1ccco1 34a_100000694680_100012276630 [0,2,0,0,0,0|2,0,0]=4 4727 B15R1.4685 COC(=O)C(NCCc1ccco1)OC 34a_100000694680_100000101307 [0,2,0,0,0,0|2,0,0]=4 4728 B15R1.11655 CNC(=O)C(C)(C)CNCc1ccco1 34a_100000185738_100000702813 [0,2,0,0,0,0|2,0,0]=4 4729 B15R1.11655 CNC(=O)C(C)(C)COCc1ccco1 34a_100000210059_100000702813 [0,2,0,0,0,0|1,1,0]=4 4730 B15R1.11655 CNC(=O)C(C)(C)CSCc1ncco1 62a_100000702813_103436540062 [0,2,0,0,0,0|2,0,0]=4 4731 B15R1.11655 CNC(=O)C(C)(C)CSCc1ncco1 62a_103436540062_100000702813 [0,2,0,0,0,0|2,0,0]=4 4732 B15R1.11655 COC(=O)C(C)(C)COCc1ncco1 34a_100000709632_103436540062 [0,2,0,0,0,0|1,1,0]=4 4733 B15R1.11655 COC(=O)C(C)(C)COCc1ncco1 7a_100000709632_103436540062 [0,2,0,0,0,0|1,1,0]=4 4734 B15R1.11655 COC(=O)C(C)(C)CSCc1c[nH]cn1 62a_100000684552_100000707719 [0,2,0,0,0,0|2,0,0]=4 4735 B15R1.11655 COC(=O)C(C)(C)CSCc1c[nH]cn1 62a_100000707719_100000684552 [0,2,0,0,0,0|2,0,0]=4 4736 B15R1.11655 COC(=O)C(C)(C)CSCc1ccn[nH]1 62a_100000684552_100000728653 [0,2,0,0,0,0|2,0,0]=4 4737 B15R1.11655 COC(=O)C(C)(C)CSCc1ccn[nH]1 62a_100000728653_100000684552 [0,2,0,0,0,0|2,0,0]=4 4738 B15R1.11655 COC(=O)C(C)(C)CSCc1ccon1 62a_100000234950_100000684552 [0,2,0,0,0,0|2,0,0]=4 4739 B15R1.11655 COC(=O)C(C)(C)CSCc1ccon1 62a_100000684552_100000234950 [0,2,0,0,0,0|2,0,0]=4 4740 B15R1.11655 COC(=O)C(C)(C)CSCc1ccsc1 62a_100000684552_100011233845 [0,2,0,0,0,0|2,0,0]=4 4741 B15R1.11655 COC(=O)C(C)(C)CSCc1ccsc1 62a_100011261437_100000684552 [0,2,0,0,0,0|2,0,0]=4 4742 B15R1.11655 COC(=O)C(C)(C)CSCc1cncs1 62a_100000684552_100015185245 [0,2,0,0,0,0|1,1,0]=4 4743 B15R1.11655 COC(=O)C(C)(C)CSCc1cncs1 62a_100015185245_100000684552 [0,2,0,0,0,0|1,1,0]=4 4744 B15R1.11655 COC(=O)C(C)(C)CSCc1cscn1 62a_100000205941_100000684552 [0,2,0,0,0,0|2,0,0]=4 4745 B15R1.11655 COC(=O)C(C)(C)CSCc1cscn1 62a_100000684552_100000205941 [0,2,0,0,0,0|2,0,0]=4 4746 B15R1.11655 COC(=O)C(C)(C)CSCc1ncc[nH]1 62a_100000684552_100016991755 [0,2,0,0,0,0|2,0,0]=4 4747 B15R1.11655 COC(=O)C(C)(C)CSCc1ncc[nH]1 62a_100016991755_100000684552 [0,2,0,0,0,0|2,0,0]=4 4748 B15R1.11655 COC(=O)C(C)(C)CSCc1ncco1 62a_100000684552_103436540062 [0,2,0,0,0,0|1,0,0]=3 4749 B15R1.11655 COC(=O)C(C)(C)CSCc1ncco1 62a_103436540062_100000684552 [0,2,0,0,0,0|1,0,0]=3 4750 B15R1.11655 COC(=O)C(C)(C)CSCc1nccs1 62a_100000684552_100015184050 [0,2,0,0,0,0|1,1,0]=4 4751 B15R1.11655 COC(=O)C(C)(C)CSCc1nccs1 62a_100015184050_100000684552 [0,2,0,0,0,0|1,1,0]=4 4752 B15R1.11655 COC(=O)C(C)(C)NCCc1ccco1 2230a_100000694680_100000689032 [0,2,0,0,0,0|2,0,0]=4 4753 B15R1.11655 COC(=O)C(C)(F)NCCc1ccco1 2230a_100000694680_200009867631 [0,2,0,0,0,0|2,0,0]=4 4754 B15R1.11655 COC(=O)C(C)(F)NCCc1ccco1 34a_100000694680_200009867631 [0,2,0,0,0,0|2,0,0]=4 4755 B15R1.11655 COC(=O)C(F)(F)CNCc1ccco1 34a_100000185738_100010295740 [0,2,0,0,0,0|1,0,0]=3 4756 B15R1.11655 COC(=O)C(F)(F)COCc1ccco1 34a_100000210059_100010295740 [0,2,0,0,0,0|0,1,0]=3 4757 B15R1.11655 COC(=O)C(F)(F)COCc1cccs1 34a_100000211240_100010295740 [0,2,0,0,0,0|0,2,0]=4 4758 B15R1.11655 COC(=O)C(F)(F)COCc1ccno1 34a_100000740478_100010295740 [0,2,0,0,0,0|1,1,0]=4 4759 B15R1.11655 COC(=O)C(F)(F)COCc1ncco1 34a_100000062594_100010295740 [0,2,0,0,0,0|1,1,0]=4 4760 B15R1.11655 COC(=O)C(F)(F)CSCc1c[nH]cn1 62a_100000707719_100010295740 [0,2,0,0,0,0|2,0,0]=4 4761 B15R1.11655 COC(=O)C(F)(F)CSCc1c[nH]cn1 62a_100010295740_100000707719 [0,2,0,0,0,0|2,0,0]=4 4762 B15R1.11655 COC(=O)C(F)(F)CSCc1ccn[nH]1 62a_100000728653_100010295740 [0,2,0,0,0,0|2,0,0]=4 4763 B15R1.11655 COC(=O)C(F)(F)CSCc1ccn[nH]1 62a_100010295740_100000728653 [0,2,0,0,0,0|2,0,0]=4 4764 B15R1.11655 COC(=O)C(F)(F)CSCc1ccon1 62a_100000234950_100010295740 [0,2,0,0,0,0|2,0,0]=4 4765 B15R1.11655 COC(=O)C(F)(F)CSCc1ccon1 62a_100010295740_100000234950 [0,2,0,0,0,0|2,0,0]=4 4766 B15R1.11655 COC(=O)C(F)(F)CSCc1ccsc1 62a_100010295740_100011233845 [0,2,0,0,0,0|2,0,0]=4 4767 B15R1.11655 COC(=O)C(F)(F)CSCc1ccsc1 62a_100011261437_100010295740 [0,2,0,0,0,0|2,0,0]=4 4768 B15R1.11655 COC(=O)C(F)(F)CSCc1cncs1 62a_100010295740_100015185245 [0,2,0,0,0,0|1,1,0]=4 4769 B15R1.11655 COC(=O)C(F)(F)CSCc1cncs1 62a_100015185245_100010295740 [0,2,0,0,0,0|1,1,0]=4 4770 B15R1.11655 COC(=O)C(F)(F)CSCc1cscn1 62a_100000205941_100010295740 [0,2,0,0,0,0|2,0,0]=4 4771 B15R1.11655 COC(=O)C(F)(F)CSCc1cscn1 62a_100010295740_100000205941 [0,2,0,0,0,0|2,0,0]=4 4772 B15R1.11655 COC(=O)C(F)(F)CSCc1ncc[nH]1 62a_100010295740_100016991755 [0,2,0,0,0,0|2,0,0]=4 4773 B15R1.11655 COC(=O)C(F)(F)CSCc1ncc[nH]1 62a_100016991755_100010295740 [0,2,0,0,0,0|2,0,0]=4 4774 B15R1.11655 COC(=O)C(F)(F)CSCc1ncco1 62a_100010295740_103436540062 [0,2,0,0,0,0|1,0,0]=3 4775 B15R1.11655 COC(=O)C(F)(F)CSCc1ncco1 62a_103436540062_100010295740 [0,2,0,0,0,0|1,0,0]=3 4776 B15R1.11655 COC(=O)C(F)(F)CSCc1nccs1 62a_100010295740_100015184050 [0,2,0,0,0,0|1,1,0]=4 4777 B15R1.11655 COC(=O)C(F)(F)CSCc1nccs1 62a_100015184050_100010295740 [0,2,0,0,0,0|1,1,0]=4 4778 B15R1.11655 COC(=O)C(F)(F)NCCc1ccco1 34a_100000694680_100000211177 [0,2,0,0,0,0|2,0,0]=4 4779 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,0,1,1,0,0|1,0,1]=4 4780 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,0,1,1,0,0|1,0,1]=4 4781 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,0,1,1,0,0|1,0,1]=4 4782 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,0,1,1,0,0|1,0,1]=4 4783 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,0,1,1,0,0|1,0,1]=4 4784 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,0,1,1,0,0|1,0,1]=4 4785 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,0,1,1,0,0|1,0,1]=4 4786 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,0,1,1,0,0|1,0,1]=4 4787 B13R1.41 C=COC(=O)CSC1COC(=O)O1 62a_100000036128_100000032252 [0,0,1,1,0,0|2,0,0]=4 4788 B13R1.1573 C=COC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000036128 [0,0,1,1,0,0|2,0,0]=4 4789 B13R2.64 C1=CCN(CC1)Cc2ccco2 270004a_100000698166_100000186105 [1,0,0,1,0,0|2,0,0]=4 4790 B13R2.64 c1coc(c1)CN2CCCOC2 270004a_100000131196_100000186105 [1,0,0,1,0,0|1,0,1]=4 4791 B13R2.183 C1=CCC(C1)NCc2ccco2 207a_100015188752_100000186105 [1,0,0,1,0,0|2,0,0]=4 4792 B13R2.183 C1=CCC(C1)NCc2ccco2 270004a_100015188752_100000186105 [1,0,0,1,0,0|2,0,0]=4 4793 B13R2.183 c1coc(c1)CNC2CCOC2 2230a_100000185738_100000731011 [1,0,0,1,0,0|1,0,1]=4 4794 B13R2.183 c1coc(c1)CNC2CCOC2 270004a_100000185738_100000752484 [1,0,0,1,0,0|1,0,1]=4 4795 B13R2.183 c1coc(c1)CNC2CCOC2 34a_100000185738_100000690089 [1,0,0,1,0,0|1,0,1]=4 4796 B13R2.183 c1coc(c1)CN[C@@H]2CCOC2 207a_200015188469_100000186105 [1,0,0,1,0,0|1,0,1]=4 4797 B13R2.183 c1coc(c1)CN[C@@H]2CCOC2 270004a_200015188469_100000186105 [1,0,0,1,0,0|1,0,1]=4 4798 B13R2.183 c1coc(c1)CN[C@H]2CCOC2 207a_100015188467_100000186105 [1,0,0,1,0,0|1,0,1]=4 4799 B13R2.183 c1coc(c1)CN[C@H]2CCOC2 270004a_100015188467_100000186105 [1,0,0,1,0,0|1,0,1]=4 4800 B13R2.183 c1coc(c1)COC2CCOC2 34a_100000210059_100000690089 [1,0,0,1,0,0|0,1,1]=4 4801 B13R2.183 c1coc(n1)CSC2CCOC2 62a_103436540062_100000690089 [1,0,0,1,0,0|1,0,1]=4 4802 B13R2.2380 c1coc(c1)CNCCC2CO2 2230a_100000185738_100000732470 [1,0,0,1,0,0|1,0,1]=4 4803 B13R2.2380 c1coc(c1)CNCCC2CO2 34a_100000185738_100000732470 [1,0,0,1,0,0|1,0,1]=4 4804 B13R2.2380 c1coc(c1)COCCC2CO2 34a_100000210059_100000732470 [1,0,0,1,0,0|0,1,1]=4 4805 B13R2.2380 c1coc(n1)CSCCC2CO2 62a_100000732470_103436540062 [1,0,0,1,0,0|1,0,1]=4 4806 B13R2.2380 c1coc(n1)CSCCC2CO2 62a_103436540062_100000732470 [1,0,0,1,0,0|1,0,1]=4 4807 B13R2.2381 c1coc(c1)CNCC2COC2 207a_100015281925_100000186105 [1,0,0,1,0,0|1,0,1]=4 4808 B13R2.2381 c1coc(c1)CNCC2COC2 2230a_100000185738_100010264016 [1,0,0,1,0,0|1,0,1]=4 4809 B13R2.2381 c1coc(c1)CNCC2COC2 270004a_100015281925_100000186105 [1,0,0,1,0,0|1,0,1]=4 4810 B13R2.2381 c1coc(c1)CNCC2COC2 34a_100000185738_100010264016 [1,0,0,1,0,0|1,0,1]=4 4811 B13R2.2381 c1coc(c1)COCC2COC2 34a_100000210059_100010264016 [1,0,0,1,0,0|0,1,1]=4 4812 B13R2.2381 c1coc(n1)CSCC2COC2 62a_100010264016_103436540062 [1,0,0,1,0,0|1,0,1]=4 4813 B13R2.2381 c1coc(n1)CSCC2COC2 62a_103436540062_100010264016 [1,0,0,1,0,0|1,0,1]=4 4814 B13R2.241 C=C1CC(C1)NCc2ccco2 207a_100132301982_100000186105 [1,0,0,1,0,0|2,0,0]=4 4815 B13R2.241 C=C1CC(C1)NCc2ccco2 270004a_100132301982_100000186105 [1,0,0,1,0,0|2,0,0]=4 4816 B13R2.241 O=C1CC(C1)CSc2ccco2 62a_100009814098_100009874392 [1,0,0,1,0,0|2,0,0]=4 4817 B13R2.241 O=C1CC(C1)CSc2ccco2 62a_100009874392_100009814098 [1,0,0,1,0,0|2,0,0]=4 4818 B13R2.241 O=C1CC(C1)SCc2c[nH]cn2 62a_100009894365_100000707719 [1,0,0,1,0,0|2,0,0]=4 4819 B13R2.241 O=C1CC(C1)SCc2ccn[nH]2 62a_100009894365_100000728653 [1,0,0,1,0,0|2,0,0]=4 4820 B13R2.241 O=C1CC(C1)SCc2ccon2 62a_100009894365_100000234950 [1,0,0,1,0,0|2,0,0]=4 4821 B13R2.241 O=C1CC(C1)SCc2ccsc2 62a_100009894365_100011233845 [1,0,0,1,0,0|2,0,0]=4 4822 B13R2.241 O=C1CC(C1)SCc2cncs2 62a_100009894365_100015185245 [1,0,0,1,0,0|1,1,0]=4 4823 B13R2.241 O=C1CC(C1)SCc2cscn2 62a_100009894365_100000205941 [1,0,0,1,0,0|2,0,0]=4 4824 B13R2.241 O=C1CC(C1)SCc2ncc[nH]2 62a_100009894365_100016991755 [1,0,0,1,0,0|2,0,0]=4 4825 B13R2.241 O=C1CC(C1)SCc2ncco2 62a_100009894365_103436540062 [1,0,0,1,0,0|1,0,0]=3 4826 B13R2.241 O=C1CC(C1)SCc2nccs2 62a_100009894365_100015184050 [1,0,0,1,0,0|1,1,0]=4 4827 B15R2.283 O=C1OCC(O1)SCc2ccccc2 62a_100000211182_100000032252 [0,0,0,1,0,1|2,0,0]=4 4828 B15R2.283 O=C1OCC(O1)SCc2ccccn2 62a_100000721315_100000032252 [0,0,0,1,0,1|2,0,0]=4 4829 B15R2.283 O=C1OCC(O1)SCc2cccnc2 62a_100000741622_100000032252 [0,0,0,1,0,1|2,0,0]=4 4830 B15R2.283 O=C1OCC(O1)SCc2cccnn2 62a_100016990269_100000032252 [0,0,0,1,0,1|2,0,0]=4 4831 B15R2.283 O=C1OCC(O1)SCc2ccncc2 62a_100015193705_100000032252 [0,0,0,1,0,1|2,0,0]=4 4832 B15R2.283 O=C1OCC(O1)SCc2cnccn2 62a_100016995436_100000032252 [0,0,0,1,0,1|2,0,0]=4 4833 B15R2.283 O=C1OCC(O1)SCc2ncccn2 62a_100000703007_100000032252 [0,0,0,1,0,1|2,0,0]=4 4834 B15R2.1561 COC(=O)C1CN1Cc2ccccc2 2230a_200009830135_100015291786 [0,0,0,1,0,1|2,0,0]=4 4835 B15R2.1561 COC(=O)C1CN1Cc2ccccc2 270004a_200009830135_100015611070 [0,0,0,1,0,1|2,0,0]=4 4836 B15R2.1561 COC(=O)C1CN1Cc2ccccn2 2230a_200009830135_100000721315 [0,0,0,1,0,1|2,0,0]=4 4837 B15R2.1561 COC(=O)C1CN1Cc2ccccn2 270004a_200009830135_100000209966 [0,0,0,1,0,1|2,0,0]=4 4838 B15R2.1561 COC(=O)C1CN1Cc2cccnc2 2230a_200009830135_100000741622 [0,0,0,1,0,1|2,0,0]=4 4839 B15R2.1561 COC(=O)C1CN1Cc2cccnc2 270004a_200009830135_100000209961 [0,0,0,1,0,1|2,0,0]=4 4840 B15R2.1561 COC(=O)C1CN1Cc2cccnn2 2230a_200009830135_100016990269 [0,0,0,1,0,1|2,0,0]=4 4841 B15R2.1561 COC(=O)C1CN1Cc2ccncc2 2230a_200009830135_100015193705 [0,0,0,1,0,1|2,0,0]=4 4842 B15R2.1561 COC(=O)C1CN1Cc2cnccn2 2230a_200009830135_100016995436 [0,0,0,1,0,1|2,0,0]=4 4843 B15R2.1561 COC(=O)C1CN1Cc2cnccn2 270004a_200009830135_100000749867 [0,0,0,1,0,1|2,0,0]=4 4844 B15R2.1561 COC(=O)C1CN1Cc2ncccn2 2230a_200009830135_100000703007 [0,0,0,1,0,1|2,0,0]=4 4845 B15R2.1561 COC(=O)C1CN1Cc2ncccn2 270004a_200009830135_100011532527 [0,0,0,1,0,1|2,0,0]=4 4846 B15R2.100 O=C1CCC(CN1)NCc2ccco2 207a_100000748762_100000186105 [0,0,0,1,0,1|2,0,0]=4 4847 B15R2.100 O=C1CCC(CN1)NCc2ccco2 270004a_100000748762_100000186105 [0,0,0,1,0,1|2,0,0]=4 4848 B15R2.286 O=C1C=C(CO1)CNCc2ccco2 34a_100000185738_100000716558 [0,0,0,1,0,1|1,0,1]=4 4849 B15R2.286 O=C1C=C(CO1)COCc2ccco2 34a_100000210059_100000716558 [0,0,0,1,0,1|0,1,1]=4 4850 B15R2.286 O=C1C=C(CO1)CSCc2ncco2 62a_100000716558_103436540062 [0,0,0,1,0,1|1,0,1]=4 4851 B15R2.286 O=C1C=C(CO1)CSCc2ncco2 62a_103436540062_100000716558 [0,0,0,1,0,1|1,0,1]=4 4852 B15R2.286 O=C1CC(CN1)CNCc2ccco2 207a_100016993742_100000186105 [0,0,0,1,0,1|2,0,0]=4 4853 B15R2.286 O=C1CC[C@@H](N1)CNCc2ccco2 207a_100015423886_100000186105 [0,0,0,1,0,1|2,0,0]=4 4854 B15R2.286 O=C1CC[C@@H](N1)CNCc2ccco2 270004a_100015423886_100000186105 [0,0,0,1,0,1|2,0,0]=4 4855 B15R2.286 O=C1CC[C@H](N1)CNCc2ccco2 2230a_100000185738_100015189358 [0,0,0,1,0,1|2,0,0]=4 4856 B15R2.286 O=C1CC[C@H](N1)CSCc2ncco2 62a_100015189358_103436540062 [0,0,0,1,0,1|2,0,0]=4 4857 B15R2.286 O=C1CC[C@H](N1)CSCc2ncco2 62a_103436540062_100015189358 [0,0,0,1,0,1|2,0,0]=4 4858 B15R2.286 O=C1NCC(O1)CNCc2ccco2 2230a_100000185738_100000181169 [0,0,0,1,0,1|2,0,0]=4 4859 B15R2.286 O=C1NCC(O1)CNCc2ccco2 34a_100000185738_100000181169 [0,0,0,1,0,1|2,0,0]=4 4860 B15R2.286 O=C1NCC(O1)COCc2ccco2 34a_100000210059_100000181169 [0,0,0,1,0,1|1,1,0]=4 4861 B15R2.286 O=C1NCC(O1)CSCc2ncco2 62a_100000181169_103436540062 [0,0,0,1,0,1|2,0,0]=4 4862 B15R2.286 O=C1NCC(O1)CSCc2ncco2 62a_103436540062_100000181169 [0,0,0,1,0,1|2,0,0]=4 4863 B15R2.286 O=C1N[C@H](CO1)CNCc2ccco2 2230a_100000185738_100015307671 [0,0,0,1,0,1|1,0,0]=3 4864 B15R2.286 O=C1N[C@H](CO1)CNCc2ccco2 34a_100000185738_100015307671 [0,0,0,1,0,1|1,0,0]=3 4865 B15R2.286 O=C1N[C@H](CO1)CNCc2cccs2 2230a_100000211653_100015307671 [0,0,0,1,0,1|1,1,0]=4 4866 B15R2.286 O=C1N[C@H](CO1)CNCc2ncco2 2230a_100016994969_100015307671 [0,0,0,1,0,1|2,0,0]=4 4867 B15R2.286 O=C1N[C@H](CO1)COCc2ccco2 34a_100000210059_100015307671 [0,0,0,1,0,1|0,1,0]=3 4868 B15R2.286 O=C1N[C@H](CO1)COCc2cccs2 34a_100000211240_100015307671 [0,0,0,1,0,1|0,2,0]=4 4869 B15R2.286 O=C1N[C@H](CO1)COCc2ccno2 34a_100000740478_100015307671 [0,0,0,1,0,1|1,1,0]=4 4870 B15R2.286 O=C1N[C@H](CO1)COCc2ncco2 34a_100000062594_100015307671 [0,0,0,1,0,1|1,1,0]=4 4871 B15R2.286 O=C1N[C@H](CO1)CSCc2c[nH]cn2 62a_100000707719_100015307671 [0,0,0,1,0,1|2,0,0]=4 4872 B15R2.286 O=C1N[C@H](CO1)CSCc2c[nH]cn2 62a_100015307671_100000707719 [0,0,0,1,0,1|2,0,0]=4 4873 B15R2.286 O=C1N[C@H](CO1)CSCc2ccn[nH]2 62a_100000728653_100015307671 [0,0,0,1,0,1|2,0,0]=4 4874 B15R2.286 O=C1N[C@H](CO1)CSCc2ccn[nH]2 62a_100015307671_100000728653 [0,0,0,1,0,1|2,0,0]=4 4875 B15R2.286 O=C1N[C@H](CO1)CSCc2ccon2 62a_100000234950_100015307671 [0,0,0,1,0,1|2,0,0]=4 4876 B15R2.286 O=C1N[C@H](CO1)CSCc2ccon2 62a_100015307671_100000234950 [0,0,0,1,0,1|2,0,0]=4 4877 B15R2.286 O=C1N[C@H](CO1)CSCc2ccsc2 62a_100011261437_100015307671 [0,0,0,1,0,1|2,0,0]=4 4878 B15R2.286 O=C1N[C@H](CO1)CSCc2ccsc2 62a_100015307671_100011233845 [0,0,0,1,0,1|2,0,0]=4 4879 B15R2.286 O=C1N[C@H](CO1)CSCc2cncs2 62a_100015185245_100015307671 [0,0,0,1,0,1|1,1,0]=4 4880 B15R2.286 O=C1N[C@H](CO1)CSCc2cncs2 62a_100015307671_100015185245 [0,0,0,1,0,1|1,1,0]=4 4881 B15R2.286 O=C1N[C@H](CO1)CSCc2cscn2 62a_100000205941_100015307671 [0,0,0,1,0,1|2,0,0]=4 4882 B15R2.286 O=C1N[C@H](CO1)CSCc2cscn2 62a_100015307671_100000205941 [0,0,0,1,0,1|2,0,0]=4 4883 B15R2.286 O=C1N[C@H](CO1)CSCc2ncc[nH]2 62a_100015307671_100016991755 [0,0,0,1,0,1|2,0,0]=4 4884 B15R2.286 O=C1N[C@H](CO1)CSCc2ncc[nH]2 62a_100016991755_100015307671 [0,0,0,1,0,1|2,0,0]=4 4885 B15R2.286 O=C1N[C@H](CO1)CSCc2ncco2 62a_100015307671_103436540062 [0,0,0,1,0,1|1,0,0]=3 4886 B15R2.286 O=C1N[C@H](CO1)CSCc2ncco2 62a_103436540062_100015307671 [0,0,0,1,0,1|1,0,0]=3 4887 B15R2.286 O=C1N[C@H](CO1)CSCc2nccs2 62a_100015184050_100015307671 [0,0,0,1,0,1|1,1,0]=4 4888 B15R2.286 O=C1N[C@H](CO1)CSCc2nccs2 62a_100015307671_100015184050 [0,0,0,1,0,1|1,1,0]=4 4889 B15R2.286 O=C1OCC(O1)CNCc2ccco2 34a_100000185738_100000073702 [0,0,0,1,0,1|1,0,0]=3 4890 B15R2.286 O=C1OCC(O1)COCc2ccco2 34a_100000210059_100000073702 [0,0,0,1,0,1|0,1,0]=3 4891 B15R2.286 O=C1OCC(O1)COCc2cccs2 34a_100000211240_100000073702 [0,0,0,1,0,1|0,2,0]=4 4892 B15R2.286 O=C1OCC(O1)COCc2ccno2 34a_100000740478_100000073702 [0,0,0,1,0,1|1,1,0]=4 4893 B15R2.286 O=C1OCC(O1)COCc2ncco2 34a_100000062594_100000073702 [0,0,0,1,0,1|1,1,0]=4 4894 B15R2.286 O=C1OCC(O1)CSCc2c[nH]cn2 62a_100000073702_100000707719 [0,0,0,1,0,1|2,0,0]=4 4895 B15R2.286 O=C1OCC(O1)CSCc2c[nH]cn2 62a_100000707719_100000073702 [0,0,0,1,0,1|2,0,0]=4 4896 B15R2.286 O=C1OCC(O1)CSCc2ccn[nH]2 62a_100000073702_100000728653 [0,0,0,1,0,1|2,0,0]=4 4897 B15R2.286 O=C1OCC(O1)CSCc2ccn[nH]2 62a_100000728653_100000073702 [0,0,0,1,0,1|2,0,0]=4 4898 B15R2.286 O=C1OCC(O1)CSCc2ccon2 62a_100000073702_100000234950 [0,0,0,1,0,1|2,0,0]=4 4899 B15R2.286 O=C1OCC(O1)CSCc2ccon2 62a_100000234950_100000073702 [0,0,0,1,0,1|2,0,0]=4 4900 B15R2.286 O=C1OCC(O1)CSCc2ccsc2 62a_100000073702_100011233845 [0,0,0,1,0,1|2,0,0]=4 4901 B15R2.286 O=C1OCC(O1)CSCc2ccsc2 62a_100011261437_100000073702 [0,0,0,1,0,1|2,0,0]=4 4902 B15R2.286 O=C1OCC(O1)CSCc2cncs2 62a_100000073702_100015185245 [0,0,0,1,0,1|1,1,0]=4 4903 B15R2.286 O=C1OCC(O1)CSCc2cncs2 62a_100015185245_100000073702 [0,0,0,1,0,1|1,1,0]=4 4904 B15R2.286 O=C1OCC(O1)CSCc2cscn2 62a_100000073702_100000205941 [0,0,0,1,0,1|2,0,0]=4 4905 B15R2.286 O=C1OCC(O1)CSCc2cscn2 62a_100000205941_100000073702 [0,0,0,1,0,1|2,0,0]=4 4906 B15R2.286 O=C1OCC(O1)CSCc2ncc[nH]2 62a_100000073702_100016991755 [0,0,0,1,0,1|2,0,0]=4 4907 B15R2.286 O=C1OCC(O1)CSCc2ncc[nH]2 62a_100016991755_100000073702 [0,0,0,1,0,1|2,0,0]=4 4908 B15R2.286 O=C1OCC(O1)CSCc2ncco2 62a_100000073702_103436540062 [0,0,0,1,0,1|1,0,0]=3 4909 B15R2.286 O=C1OCC(O1)CSCc2ncco2 62a_103436540062_100000073702 [0,0,0,1,0,1|1,0,0]=3 4910 B15R2.286 O=C1OCC(O1)CSCc2nccs2 62a_100000073702_100015184050 [0,0,0,1,0,1|1,1,0]=4 4911 B15R2.286 O=C1OCC(O1)CSCc2nccs2 62a_100015184050_100000073702 [0,0,0,1,0,1|1,1,0]=4 4912 B15R2.286 O=C1OCC(O1)NCCc2ccco2 34a_100000694680_100000032252 [0,0,0,1,0,1|2,0,0]=4 4913 B15R2.286 O=C1OCC(O1)SCCc2cccs2 62a_100000748579_100000032252 [0,0,0,1,0,1|1,1,0]=4 4914 B15R2.1109 CC1C(=O)NCCN1Cc2ccco2 270004a_100000750721_100000186105 [0,0,0,1,0,1|2,0,0]=4 4915 B15R2.1134 O=C1CCC1CCNCc2ccco2 2230a_100000185738_200016118888 [0,0,0,1,0,1|2,0,0]=4 4916 B15R2.1134 O=C1CCC1CCSCc2ncco2 62a_103436540062_200016118888 [0,0,0,1,0,1|2,0,0]=4 4917 B15R2.1134 O=C1CCC1CCSCc2ncco2 62a_200016118888_103436540062 [0,0,0,1,0,1|2,0,0]=4 4918 B15R2.1560 CCC(=O)N1CCCC1c2ccco2 11a_100011206061_100000210414 [0,0,0,1,0,1|2,0,0]=4 4919 B15R2.1560 CCC(=O)N1CCCC1c2ccco2 1626a_100011206061_100000210414 [0,0,0,1,0,1|2,0,0]=4 4920 B15R2.1560 CCC(=O)N1CCCC1c2ccco2 240690a_100011206061_100000210414 [0,0,0,1,0,1|2,0,0]=4 4921 B15R2.1560 CCC(=O)N1CCCC1c2ccco2 527a_100011206061_100000210414 [0,0,0,1,0,1|2,0,0]=4 4922 B15R2.1560 CNC(=O)N1CCCC1c2ccco2 2708a_100102657272_100011206061 [0,0,0,1,0,1|2,0,0]=4 4923 B15R2.1563 COC(=O)[C@@H]1CCN1Cc2ccco2 270004a_102516456887_100000186105 [0,0,0,1,0,1|1,0,0]=3 4924 B15R2.1563 COC(=O)[C@@H]1CCN1Cc2cccs2 270004a_102516456887_100000209959 [0,0,0,1,0,1|1,1,0]=4 4925 B15R2.1563 COC(=O)[C@@H]1CCN1Cc2cnco2 270004a_102516456887_100000064291 [0,0,0,1,0,1|2,0,0]=4 4926 B15R2.1563 COC(=O)[C@@H]1CCN1Cc2ncco2 2230a_102516456887_103436540062 [0,0,0,1,0,1|2,0,0]=4 4927 B15R2.1563 COC(=O)[C@@H]1CCN1Cc2ncco2 269982a_102516456887_103436540062 [0,0,0,1,0,1|2,0,0]=4 4928 B15R2.1563 COC(=O)[C@@H]1CCN1Cc2ncco2 270004a_102516456887_100000064290 [0,0,0,1,0,1|2,0,0]=4 4929 B15R2.1594 COC(=O)C1CN1CCc2cccs2 2230a_200009830135_100000748579 [0,0,0,1,0,1|1,1,0]=4 4930 B15R2.8679 O=C1CCN(CCN1)Cc2ccco2 270004a_100000698595_100000186105 [0,0,0,1,0,1|2,0,0]=4 4931 B15R2.318 CN1CC(CC1=O)NCc2ccco2 207a_100000748898_100000186105 [0,1,0,1,0,0|2,0,0]=4 4932 B15R2.318 CN1CC(CC1=O)NCc2ccco2 270004a_100000748898_100000186105 [0,1,0,1,0,0|2,0,0]=4 4933 B15R2.1117 O=C1CC(CCN1)NCc2ccco2 207a_100016994916_100000186105 [0,1,0,1,0,0|2,0,0]=4 4934 B15R2.404 O=C1OCCC1NCCc2ccco2 2230a_100000694680_100000211211 [0,1,0,1,0,0|2,0,0]=4 4935 B15R2.404 O=C1OCCC1NCCc2ccco2 34a_100000694680_100000211211 [0,1,0,1,0,0|2,0,0]=4 4936 B15R2.288 Cc1cc(on1)CSC2COC(=O)O2 62a_100000707947_100000032252 [0,1,0,1,0,0|2,0,0]=4 4937 B15R2.288 Cc1ccc(o1)CNC2CNC(=O)C2 207a_100000697751_100000183696 [0,1,0,1,0,0|2,0,0]=4 4938 B15R2.288 Cc1ccc(o1)CNC2COC(=O)O2 34a_100011194323_100000032252 [0,1,0,1,0,0|2,0,0]=4 4939 B15R2.288 Cc1ccc(o1)COC2COC(=O)O2 34a_100011232665_100000032252 [0,1,0,1,0,0|1,1,0]=4 4940 B15R2.288 O=C1CC(CN1)NCc2ccc(o2)Br 207a_100000697751_100000185145 [0,1,0,1,0,0|2,0,0]=4 4941 B15R2.288 O=C1CC(CN1)NCc2ccc(o2)Cl 207a_100000697751_100000188459 [0,1,0,1,0,0|2,0,0]=4 4942 B15R2.288 O=C1CC(CN1)NCc2ccc(o2)I 207a_100000697751_100000186757 [0,1,0,1,0,0|2,0,0]=4 4943 B15R2.288 O=C1OCC(O1)NCc2ccc(o2)Br 34a_100000708654_100000032252 [0,1,0,1,0,0|2,0,0]=4 4944 B15R2.288 O=C1OCC(O1)OCc2ccc(o2)Br 34a_100000246276_100000032252 [0,1,0,1,0,0|1,1,0]=4 4945 B15R2.288 O=C1OCC(O1)SCc2cc(cs2)Br 62a_100000746031_100000032252 [0,1,0,1,0,0|1,1,0]=4 4946 B15R2.288 O=C1OCC(O1)SCc2cc(no2)Br 62a_100000709089_100000032252 [0,1,0,1,0,0|2,0,0]=4 4947 B15R2.288 O=C1OCC(O1)SCc2ccc(s2)Br 62a_100000708592_100000032252 [0,1,0,1,0,0|1,1,0]=4 4948 B15R2.288 O=C1OCC(O1)SCc2ccc(s2)Cl 62a_100000185097_100000032252 [0,1,0,1,0,0|1,1,0]=4 4949 B15R2.1562 COC(=O)C1CN1Cc2cc(c[nH]2)Br 270004a_200009830135_100000720742 [0,1,0,1,0,0|2,0,0]=4 4950 B15R2.1562 COC(=O)C1CN1Cc2cc(co2)Br 270004a_200009830135_100000747035 [0,1,0,1,0,0|1,0,0]=3 4951 B15R2.1562 COC(=O)C1CN1Cc2cc(cs2)Br 2230a_200009830135_100000746031 [0,1,0,1,0,0|1,1,0]=4 4952 B15R2.1562 COC(=O)C1CN1Cc2cc(cs2)Br 270004a_200009830135_100000211722 [0,1,0,1,0,0|1,1,0]=4 4953 B15R2.1562 COC(=O)C1CN1Cc2cc(cs2)C 270004a_200009830135_100102525248 [0,1,0,1,0,0|1,1,0]=4 4954 B15R2.1562 COC(=O)C1CN1Cc2cc(cs2)Cl 270004a_200009830135_100000102487 [0,1,0,1,0,0|1,1,0]=4 4955 B15R2.1562 COC(=O)C1CN1Cc2cc(no2)Br 270004a_200009830135_100009819588 [0,1,0,1,0,0|2,0,0]=4 4956 B15R2.1562 COC(=O)C1CN1Cc2cc(no2)C 2230a_200009830135_100000707947 [0,1,0,1,0,0|2,0,0]=4 4957 B15R2.1562 COC(=O)C1CN1Cc2cc(no2)C 270004a_200009830135_100011794430 [0,1,0,1,0,0|2,0,0]=4 4958 B15R2.1562 COC(=O)C1CN1Cc2ccc(o2)Br 270004a_200009830135_100000185145 [0,1,0,1,0,0|1,0,0]=3 4959 B15R2.1562 COC(=O)C1CN1Cc2ccc(o2)C 270004a_200009830135_100000183696 [0,1,0,1,0,0|1,0,0]=3 4960 B15R2.1562 COC(=O)C1CN1Cc2ccc(o2)Cl 270004a_200009830135_100000188459 [0,1,0,1,0,0|1,0,0]=3 4961 B15R2.1562 COC(=O)C1CN1Cc2ccc(s2)Br 2230a_200009830135_100000708592 [0,1,0,1,0,0|1,1,0]=4 4962 B15R2.1562 COC(=O)C1CN1Cc2ccc(s2)Br 270004a_200009830135_100000179771 [0,1,0,1,0,0|1,1,0]=4 4963 B15R2.1562 COC(=O)C1CN1Cc2ccc(s2)C 270004a_200009830135_100000211121 [0,1,0,1,0,0|1,1,0]=4 4964 B15R2.1562 COC(=O)C1CN1Cc2ccc(s2)Cl 2230a_200009830135_100000185097 [0,1,0,1,0,0|1,1,0]=4 4965 B15R2.1562 COC(=O)C1CN1Cc2ccc(s2)Cl 270004a_200009830135_100000242774 [0,1,0,1,0,0|1,1,0]=4 4966 B15R2.1562 COC(=O)C1CN1Cc2cnc(o2)C 270004a_200009830135_100000084308 [0,1,0,1,0,0|2,0,0]=4 4967 B15R2.285 C[C@H](OC1COC(=O)O1)c2ccco2 34a_100000755270_100000032252 [0,1,0,1,0,0|1,1,0]=4 4968 B15R2.19103 CNC(=O)C1CN(C1)Cc2ccco2 270004a_100000703363_100000186105 [0,1,0,1,0,0|2,0,0]=4 4969 B15R2.19103 COC(=O)C1CC(C1)Sc2ccco2 62a_100009814098_100009897219 [0,1,0,1,0,0|2,0,0]=4 4970 B15R2.19103 COC(=O)C1CC(C1)Sc2ccco2 62a_100009897219_100009814098 [0,1,0,1,0,0|2,0,0]=4 4971 B15R2.19103 COC(=O)C1CN(C1)Cc2ccco2 270004a_100015188540_100000186105 [0,1,0,1,0,0|1,0,0]=3 4972 B15R2.19103 COC(=O)C1CN(C1)Cc2cccs2 270004a_100015188540_100000209959 [0,1,0,1,0,0|1,1,0]=4 4973 B15R2.19103 COC(=O)C1CN(C1)Cc2cnco2 270004a_100015188540_100000064291 [0,1,0,1,0,0|2,0,0]=4 4974 B15R2.19103 COC(=O)C1CN(C1)Cc2ncco2 269982a_100015188540_103436540062 [0,1,0,1,0,0|2,0,0]=4 4975 B15R2.19103 COC(=O)C1CN(C1)Cc2ncco2 270004a_100015188540_100000064290 [0,1,0,1,0,0|2,0,0]=4 4976 B15R2.287 Cc1ccoc1CNC2CNC(=O)C2 207a_100000697751_100000763527 [0,1,0,1,0,0|2,0,0]=4 4977 B15R2.287 Cc1ccoc1COC2COC(=O)O2 34a_100011273948_100000032252 [0,1,0,1,0,0|1,1,0]=4 4978 B15R2.19057 COC(=O)C1CN1Cc2cccn2C 270004a_200009830135_100000211633 [0,1,0,1,0,0|2,0,0]=4 4979 B15R2.19057 COC(=O)C1CN1Cc2occc2Br 270004a_200009830135_100000756499 [0,1,0,1,0,0|1,0,0]=3 4980 B15R2.19057 COC(=O)C1CN1Cc2occc2C 270004a_200009830135_100000763527 [0,1,0,1,0,0|1,0,0]=3 4981 B15R2.19057 COC(=O)C1CN1Cc2sccc2Br 270004a_200009830135_100000766043 [0,1,0,1,0,0|1,1,0]=4 4982 B15R2.19057 COC(=O)C1CN1Cc2sccc2C 270004a_200009830135_100000210881 [0,1,0,1,0,0|1,1,0]=4 4983 B15R2.19057 COC(=O)C1CN1Cc2sccc2Cl 270004a_200009830135_100000722334 [0,1,0,1,0,0|1,1,0]=4 4984 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000210193_100011218270 [0,0,1,0,1,0|0,0,2]=4 4985 B11R0.174 C=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210623 [0,0,1,0,1,0|0,0,2]=4 4986 B11R0.174 C=CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210623 [0,0,1,0,1,0|0,0,2]=4 4987 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000036128_100000747405 [0,0,1,0,1,0|2,0,0]=4 4988 B11R0.174 C=COC(=O)CSCC(=O)CC 62a_100000747405_100000036128 [0,0,1,0,1,0|2,0,0]=4 4989 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000036128_100000183359 [0,0,1,0,1,0|2,0,0]=4 4990 B11R0.174 C=COC(=O)CSCC(=O)NC 62a_100000183359_100000036128 [0,0,1,0,1,0|2,0,0]=4 4991 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000036128_100000747449 [0,0,1,0,1,0|1,0,0]=3 4992 B11R0.174 C=COC(=O)CSCC(=O)OC 62a_100000747449_100000036128 [0,0,1,0,1,0|1,0,0]=3 4993 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,0,1,0,1,0|0,0,2]=4 4994 B11R0.174 COC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011218270 [0,0,1,0,1,0|1,0,1]=4 4995 B11R0.174 COC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011218270 [0,0,1,0,1,0|1,0,1]=4 4996 B11R0.174 COC(=O)CCCC(=O)C=CI 1458a_100016256311_100011218270 [0,0,1,0,1,0|1,0,1]=4 4997 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [1,0,0,0,1,0|1,0,0]=3 4998 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [1,0,0,0,1,0|1,0,0]=3 4999 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [1,0,0,0,1,0|1,1,0]=4 5000 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [1,0,0,0,1,0|1,1,0]=4 5001 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [1,0,0,0,1,0|2,0,0]=4 5002 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [1,0,0,0,1,0|2,0,0]=4 5003 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [1,0,0,0,1,0|2,0,0]=4 5004 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [1,0,0,0,1,0|2,0,0]=4 5005 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [1,0,0,0,1,0|2,0,0]=4 5006 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [1,0,0,0,1,0|2,0,0]=4 5007 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [1,0,0,0,1,0|1,1,0]=4 5008 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [1,0,0,0,1,0|2,0,0]=4 5009 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [1,0,0,0,1,0|2,0,0]=4 5010 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [1,0,0,0,1,0|1,0,1]=4 5011 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [1,0,0,0,1,0|1,0,1]=4 5012 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [1,0,0,0,1,0|0,1,0]=3 5013 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [1,0,0,0,1,0|0,1,0]=3 5014 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [1,0,0,0,1,0|2,0,0]=4 5015 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [1,0,0,0,1,0|2,0,0]=4 5016 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [1,0,0,0,1,0|2,0,0]=4 5017 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [1,0,0,0,1,0|2,0,0]=4 5018 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [1,0,0,0,1,0|2,0,0]=4 5019 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [1,0,0,0,1,0|2,0,0]=4 5020 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [1,0,0,0,1,0|2,0,0]=4 5021 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [1,0,0,0,1,0|2,0,0]=4 5022 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [1,0,0,0,1,0|0,0,0]=2 5023 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [1,0,0,0,1,0|0,0,0]=2 5024 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [1,0,0,0,1,0|0,1,0]=3 5025 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [1,0,0,0,1,0|0,1,0]=3 5026 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [1,0,0,0,1,0|2,0,0]=4 5027 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [1,0,0,0,1,0|2,0,0]=4 5028 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [1,0,0,0,1,0|2,0,0]=4 5029 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [1,0,0,0,1,0|2,0,0]=4 5030 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [1,0,0,0,1,0|2,0,0]=4 5031 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [1,0,0,0,1,0|2,0,0]=4 5032 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [1,0,0,0,1,0|2,0,0]=4 5033 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [1,0,0,0,1,0|2,0,0]=4 5034 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [1,0,0,0,1,0|1,0,0]=3 5035 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [1,0,0,0,1,0|1,0,0]=3 5036 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [1,0,0,0,1,0|1,1,0]=4 5037 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [1,0,0,0,1,0|1,1,0]=4 5038 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [1,0,0,0,1,0|2,0,0]=4 5039 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [1,0,0,0,1,0|2,0,0]=4 5040 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [1,0,0,0,1,0|2,0,0]=4 5041 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [1,0,0,0,1,0|2,0,0]=4 5042 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [1,0,0,0,1,0|1,0,0]=3 5043 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [1,0,0,0,1,0|1,0,0]=3 5044 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [1,0,0,0,1,0|1,1,0]=4 5045 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [1,0,0,0,1,0|1,1,0]=4 5046 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [1,0,0,0,1,0|1,1,0]=4 5047 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [1,0,0,0,1,0|1,0,0]=3 5048 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [1,0,0,0,1,0|1,0,0]=3 5049 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [1,0,0,0,1,0|1,0,0]=3 5050 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [1,0,0,0,1,0|1,0,0]=3 5051 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [1,0,0,0,1,0|1,1,0]=4 5052 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [1,0,0,0,1,0|1,1,0]=4 5053 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [1,0,0,0,1,0|1,1,0]=4 5054 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [1,0,0,0,1,0|1,1,0]=4 5055 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [1,0,0,0,1,0|1,0,0]=3 5056 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [1,0,0,0,1,0|1,0,0]=3 5057 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [1,0,0,0,1,0|1,1,0]=4 5058 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [1,0,0,0,1,0|1,1,0]=4 5059 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [1,0,0,0,1,0|2,0,0]=4 5060 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [1,0,0,0,1,0|2,0,0]=4 5061 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [1,0,0,0,1,0|2,0,0]=4 5062 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [1,0,0,0,1,0|2,0,0]=4 5063 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [1,0,0,0,1,0|1,0,1]=4 5064 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [1,0,0,0,1,0|1,0,1]=4 5065 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [1,0,0,0,1,0|0,0,2]=4 5066 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [1,0,0,0,1,0|0,0,2]=4 5067 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [1,0,0,0,1,0|2,0,0]=4 5068 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [1,0,0,0,1,0|1,0,0]=3 5069 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [1,0,0,0,1,0|1,0,0]=3 5070 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [1,0,0,0,1,0|1,1,0]=4 5071 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [1,0,0,0,1,0|1,1,0]=4 5072 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [1,0,0,0,1,0|2,0,0]=4 5073 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [1,0,0,0,1,0|2,0,0]=4 5074 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [1,0,0,0,1,0|2,0,0]=4 5075 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [1,0,0,0,1,0|2,0,0]=4 5076 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [1,0,0,0,1,0|2,0,0]=4 5077 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [1,0,0,0,1,0|2,0,0]=4 5078 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [1,0,0,0,1,0|1,1,0]=4 5079 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [1,0,0,0,1,0|2,0,0]=4 5080 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [1,0,0,0,1,0|2,0,0]=4 5081 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [1,0,0,0,1,0|2,0,0]=4 5082 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [1,0,0,0,1,0|1,0,1]=4 5083 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [1,0,0,0,1,0|0,1,1]=4 5084 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [1,0,0,0,1,0|1,0,1]=4 5085 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [1,0,0,0,1,0|1,0,1]=4 5086 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [1,0,0,0,1,0|0,1,0]=3 5087 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [1,0,0,0,1,0|2,0,0]=4 5088 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [1,0,0,0,1,0|2,0,0]=4 5089 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [0,0,0,0,2,0|0,0,2]=4 5090 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [0,0,0,0,2,0|0,0,2]=4 5091 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [0,0,0,0,2,0|0,0,2]=4 5092 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [0,0,0,0,2,0|0,0,2]=4 5093 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,0,0,0,2,0|2,0,0]=4 5094 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,0,0,0,2,0|1,0,0]=3 5095 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,0,0,0,2,0|1,1,0]=4 5096 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,0,0,0,2,0|1,1,0]=4 5097 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,0,0,0,2,0|1,0,0]=3 5098 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,0,0,0,2,0|1,0,0]=3 5099 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,0,0,0,2,0|1,1,0]=4 5100 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,0,0,0,2,0|1,1,0]=4 5101 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,0,0,0,2,0|2,0,0]=4 5102 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,0,0,0,2,0|2,0,0]=4 5103 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,0,0,0,2,0|2,0,0]=4 5104 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,0,0,0,2,0|2,0,0]=4 5105 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,0,0,0,2,0|2,0,0]=4 5106 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,0,0,0,2,0|2,0,0]=4 5107 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,0,0,0,2,0|2,0,0]=4 5108 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,0,0,0,2,0|2,0,0]=4 5109 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,0,0,0,2,0|2,0,0]=4 5110 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,0,0,0,2,0|2,0,0]=4 5111 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,0,0,0,2,0|2,0,0]=4 5112 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,0,0,0,2,0|1,0,0]=3 5113 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,0,0,0,2,0|1,0,0]=3 5114 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,0,0,0,2,0|1,0,0]=3 5115 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,0,0,0,2,0|1,1,0]=4 5116 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,0,0,0,2,0|1,1,0]=4 5117 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,0,0,0,2,0|1,1,0]=4 5118 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,0,0,0,2,0|1,1,0]=4 5119 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,0,0,0,2,0|1,0,0]=3 5120 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,0,0,0,2,0|1,0,0]=3 5121 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,0,0,0,2,0|1,1,0]=4 5122 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,0,0,0,2,0|1,1,0]=4 5123 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [0,0,0,0,2,0|2,0,0]=4 5124 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [0,0,0,0,2,0|2,0,0]=4 5125 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,0,0,0,2,0|2,0,0]=4 5126 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,0,0,0,2,0|2,0,0]=4 5127 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,0,0,0,2,0|2,0,0]=4 5128 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,0,0,0,2,0|2,0,0]=4 5129 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,0,0,0,2,0|2,0,0]=4 5130 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,0,0,0,2,0|2,0,0]=4 5131 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,0,0,0,2,0|2,0,0]=4 5132 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000747449_100000756875 [0,0,0,0,2,0|2,0,0]=4 5133 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000756875_100000747449 [0,0,0,0,2,0|2,0,0]=4 5134 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000062575_100000747449 [0,0,0,0,2,0|2,0,0]=4 5135 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000747449_100000062575 [0,0,0,0,2,0|2,0,0]=4 5136 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,0,0,0,2,0|0,0,0]=2 5137 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,0,0,0,2,0|0,0,0]=2 5138 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,0,0,0,2,0|0,1,0]=3 5139 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,0,0,0,2,0|0,1,0]=3 5140 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,0,0,0,2,0|2,0,0]=4 5141 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,0,0,0,2,0|2,0,0]=4 5142 B11R1.25 COC(=O)CSc1ccon1 62a_100000747449_100009818083 [0,0,0,0,2,0|2,0,0]=4 5143 B11R1.25 COC(=O)CSc1ccon1 62a_100009818083_100000747449 [0,0,0,0,2,0|2,0,0]=4 5144 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,0,0,0,2,0|2,0,0]=4 5145 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,0,0,0,2,0|2,0,0]=4 5146 B11R1.25 COC(=O)CSc1ccsn1 62a_100000747449_100009818082 [0,0,0,0,2,0|2,0,0]=4 5147 B11R1.25 COC(=O)CSc1ccsn1 62a_100009818082_100000747449 [0,0,0,0,2,0|2,0,0]=4 5148 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,0,0,0,2,0|1,0,0]=3 5149 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,0,0,0,2,0|1,0,0]=3 5150 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [0,0,0,0,2,0|1,1,0]=4 5151 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [0,0,0,0,2,0|1,1,0]=4 5152 B11R1.25 COC(=O)CSc1cscn1 62a_100000747449_100000751502 [0,0,0,0,2,0|2,0,0]=4 5153 B11R1.25 COC(=O)CSc1cscn1 62a_100000751502_100000747449 [0,0,0,0,2,0|2,0,0]=4 5154 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [0,0,0,0,2,0|2,0,0]=4 5155 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [0,0,0,0,2,0|2,0,0]=4 5156 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,0,0,0,2,0|1,0,0]=3 5157 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,0,0,0,2,0|1,0,0]=3 5158 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [0,0,0,0,2,0|1,1,0]=4 5159 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [0,0,0,0,2,0|1,1,0]=4 5160 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,0,0,0,2,0|2,0,0]=4 5161 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [1,0,0,0,0,1|1,0,1]=4 5162 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [1,0,0,0,0,1|1,0,1]=4 5163 B13R1.28 COCCCSCc1ccccn1 62a_100000709357_100000721315 [1,0,0,0,0,1|1,0,1]=4 5164 B13R1.28 COCCCSCc1ccccn1 62a_100000721315_100000709357 [1,0,0,0,0,1|1,0,1]=4 5165 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [1,0,0,0,0,1|1,0,1]=4 5166 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [1,0,0,0,0,1|1,0,1]=4 5167 B13R1.28 COCCCSCc1cccnn1 62a_100000709357_100016990269 [1,0,0,0,0,1|1,0,1]=4 5168 B13R1.28 COCCCSCc1cccnn1 62a_100016990269_100000709357 [1,0,0,0,0,1|1,0,1]=4 5169 B13R1.28 COCCCSCc1ccncc1 62a_100000709357_100015193705 [1,0,0,0,0,1|1,0,1]=4 5170 B13R1.28 COCCCSCc1ccncc1 62a_100015193705_100000709357 [1,0,0,0,0,1|1,0,1]=4 5171 B13R1.28 COCCCSCc1cnccn1 62a_100000709357_100016995436 [1,0,0,0,0,1|1,0,1]=4 5172 B13R1.28 COCCCSCc1cnccn1 62a_100016995436_100000709357 [1,0,0,0,0,1|1,0,1]=4 5173 B13R1.28 COCCCSCc1ncccn1 62a_100000703007_100000709357 [1,0,0,0,0,1|1,0,1]=4 5174 B13R1.28 COCCCSCc1ncccn1 62a_100000709357_100000703007 [1,0,0,0,0,1|1,0,1]=4 5175 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [1,0,0,0,0,1|2,0,0]=4 5176 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [1,0,0,0,0,1|2,0,0]=4 5177 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000721315_100000730704 [1,0,0,0,0,1|2,0,0]=4 5178 B13R1.337 C=C(C)CCSCc1ccccn1 62a_100000730704_100000721315 [1,0,0,0,0,1|2,0,0]=4 5179 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000730704_100000741622 [1,0,0,0,0,1|2,0,0]=4 5180 B13R1.337 C=C(C)CCSCc1cccnc1 62a_100000741622_100000730704 [1,0,0,0,0,1|2,0,0]=4 5181 B13R1.337 C=C(C)CCSCc1cccnn1 62a_100000730704_100016990269 [1,0,0,0,0,1|2,0,0]=4 5182 B13R1.337 C=C(C)CCSCc1cccnn1 62a_100016990269_100000730704 [1,0,0,0,0,1|2,0,0]=4 5183 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100000730704_100015193705 [1,0,0,0,0,1|2,0,0]=4 5184 B13R1.337 C=C(C)CCSCc1ccncc1 62a_100015193705_100000730704 [1,0,0,0,0,1|2,0,0]=4 5185 B13R1.337 C=C(C)CCSCc1cnccn1 62a_100000730704_100016995436 [1,0,0,0,0,1|2,0,0]=4 5186 B13R1.337 C=C(C)CCSCc1cnccn1 62a_100016995436_100000730704 [1,0,0,0,0,1|2,0,0]=4 5187 B13R1.337 C=C(C)CCSCc1ncccn1 62a_100000703007_100000730704 [1,0,0,0,0,1|2,0,0]=4 5188 B13R1.337 C=C(C)CCSCc1ncccn1 62a_100000730704_100000703007 [1,0,0,0,0,1|2,0,0]=4 5189 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [1,0,0,0,0,1|2,0,0]=4 5190 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [1,0,0,0,0,1|2,0,0]=4 5191 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [1,0,0,0,0,1|2,0,0]=4 5192 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [1,0,0,0,0,1|1,1,0]=4 5193 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [1,0,0,0,0,1|1,1,0]=4 5194 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [1,0,0,0,0,1|1,1,0]=4 5195 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [1,0,0,0,0,1|1,1,0]=4 5196 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [1,0,0,0,0,1|1,1,0]=4 5197 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [1,0,0,0,0,1|1,1,0]=4 5198 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [1,0,0,0,0,1|1,1,0]=4 5199 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [1,0,0,0,0,1|1,1,0]=4 5200 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [1,0,0,0,0,1|1,1,0]=4 5201 B13R1.337 CC(=O)CCOCc1cccnn1 34a_100000759926_100016990269 [1,0,0,0,0,1|1,1,0]=4 5202 B13R1.337 CC(=O)CCOCc1cccnn1 7a_100000759926_100016990269 [1,0,0,0,0,1|1,1,0]=4 5203 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [1,0,0,0,0,1|1,1,0]=4 5204 B13R1.337 CC(=O)CCOCc1cnccn1 34a_100000759926_100016995436 [1,0,0,0,0,1|1,1,0]=4 5205 B13R1.337 CC(=O)CCOCc1cnccn1 7a_100000759926_100016995436 [1,0,0,0,0,1|1,1,0]=4 5206 B13R1.337 CC(=O)CCOCc1ncccn1 34a_100000759926_100000703007 [1,0,0,0,0,1|1,1,0]=4 5207 B13R1.337 CC(=O)CCOCc1ncccn1 7a_100000759926_100000703007 [1,0,0,0,0,1|1,1,0]=4 5208 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [1,0,0,0,0,1|1,0,0]=3 5209 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [1,0,0,0,0,1|1,0,0]=3 5210 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [1,0,0,0,0,1|1,0,0]=3 5211 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [1,0,0,0,0,1|1,0,0]=3 5212 B13R1.337 CC(=O)CCSCc1ccccn1 1458a_100000742633_200000210301 [1,0,0,0,0,1|1,0,0]=3 5213 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000053229_100000721315 [1,0,0,0,0,1|1,0,0]=3 5214 B13R1.337 CC(=O)CCSCc1ccccn1 62a_100000721315_100000053229 [1,0,0,0,0,1|1,0,0]=3 5215 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000053229_100000741622 [1,0,0,0,0,1|1,0,0]=3 5216 B13R1.337 CC(=O)CCSCc1cccnc1 62a_100000741622_100000053229 [1,0,0,0,0,1|1,0,0]=3 5217 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100000053229_100016990269 [1,0,0,0,0,1|1,0,0]=3 5218 B13R1.337 CC(=O)CCSCc1cccnn1 62a_100016990269_100000053229 [1,0,0,0,0,1|1,0,0]=3 5219 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100000053229_100015193705 [1,0,0,0,0,1|1,0,0]=3 5220 B13R1.337 CC(=O)CCSCc1ccncc1 62a_100015193705_100000053229 [1,0,0,0,0,1|1,0,0]=3 5221 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100000053229_100016995436 [1,0,0,0,0,1|1,0,0]=3 5222 B13R1.337 CC(=O)CCSCc1cnccn1 62a_100016995436_100000053229 [1,0,0,0,0,1|1,0,0]=3 5223 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100000053229_100015196519 [1,0,0,0,0,1|2,0,0]=4 5224 B13R1.337 CC(=O)CCSCc1cncnc1 62a_100015196519_100000053229 [1,0,0,0,0,1|2,0,0]=4 5225 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000053229_100000703007 [1,0,0,0,0,1|1,0,0]=3 5226 B13R1.337 CC(=O)CCSCc1ncccn1 62a_100000703007_100000053229 [1,0,0,0,0,1|1,0,0]=3 5227 B13R1.337 CC(=O)CCSSc1ccccn1 1458a_100000068049_200000210301 [1,0,0,0,0,1|2,0,0]=4 5228 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [1,0,0,0,0,1|2,0,0]=4 5229 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [1,0,0,0,0,1|2,0,0]=4 5230 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [1,0,0,0,0,1|2,0,0]=4 5231 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [1,0,0,0,0,1|2,0,0]=4 5232 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [1,0,0,0,0,1|2,0,0]=4 5233 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [1,0,0,0,0,1|2,0,0]=4 5234 B13R1.337 CC(=O)OCSCc1cccnn1 62a_100000076356_100016990269 [1,0,0,0,0,1|2,0,0]=4 5235 B13R1.337 CC(=O)OCSCc1cccnn1 62a_100016990269_100000076356 [1,0,0,0,0,1|2,0,0]=4 5236 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [1,0,0,0,0,1|2,0,0]=4 5237 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [1,0,0,0,0,1|2,0,0]=4 5238 B13R1.337 CC(=O)OCSCc1cnccn1 62a_100000076356_100016995436 [1,0,0,0,0,1|2,0,0]=4 5239 B13R1.337 CC(=O)OCSCc1cnccn1 62a_100016995436_100000076356 [1,0,0,0,0,1|2,0,0]=4 5240 B13R1.337 CC(=O)OCSCc1ncccn1 62a_100000076356_100000703007 [1,0,0,0,0,1|2,0,0]=4 5241 B13R1.337 CC(=O)OCSCc1ncccn1 62a_100000703007_100000076356 [1,0,0,0,0,1|2,0,0]=4 5242 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [1,0,0,0,0,1|2,0,0]=4 5243 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [1,0,0,0,0,1|2,0,0]=4 5244 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000721315_100000744528 [1,0,0,0,0,1|2,0,0]=4 5245 B13R1.337 NC(=O)CCSCc1ccccn1 62a_100000744528_100000721315 [1,0,0,0,0,1|2,0,0]=4 5246 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000741622_100000744528 [1,0,0,0,0,1|2,0,0]=4 5247 B13R1.337 NC(=O)CCSCc1cccnc1 62a_100000744528_100000741622 [1,0,0,0,0,1|2,0,0]=4 5248 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100000744528_100016990269 [1,0,0,0,0,1|2,0,0]=4 5249 B13R1.337 NC(=O)CCSCc1cccnn1 62a_100016990269_100000744528 [1,0,0,0,0,1|2,0,0]=4 5250 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100000744528_100015193705 [1,0,0,0,0,1|2,0,0]=4 5251 B13R1.337 NC(=O)CCSCc1ccncc1 62a_100015193705_100000744528 [1,0,0,0,0,1|2,0,0]=4 5252 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100000744528_100016995436 [1,0,0,0,0,1|2,0,0]=4 5253 B13R1.337 NC(=O)CCSCc1cnccn1 62a_100016995436_100000744528 [1,0,0,0,0,1|2,0,0]=4 5254 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000703007_100000744528 [1,0,0,0,0,1|2,0,0]=4 5255 B13R1.337 NC(=O)CCSCc1ncccn1 62a_100000744528_100000703007 [1,0,0,0,0,1|2,0,0]=4 5256 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [1,0,0,0,0,1|2,0,0]=4 5257 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [1,0,0,0,0,1|1,1,0]=4 5258 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [1,0,0,0,0,1|1,0,0]=3 5259 B13R1.337 [13CH3]C(=O)CCSCc1ccccn1 1458a_100000742633_200025704644 [1,0,0,0,0,1|1,0,0]=3 5260 B13R1.337 [13CH3]C(=O)CCSSc1ccccn1 1458a_100000068049_200025704644 [1,0,0,0,0,1|2,0,0]=4 5261 B15R1.962 CCC(=O)COCSCc1ccccc1 34a_100000725409_200011217039 [0,0,0,0,0,2|2,0,0]=4 5262 B15R1.962 CCC(=O)CSCSCc1ccccc1 62a_100000747405_200011217039 [0,0,0,0,0,2|2,0,0]=4 5263 B15R1.962 CCC(=O)CSCSCc1ccccc1 62a_200011217039_100000747405 [0,0,0,0,0,2|2,0,0]=4 5264 B15R1.962 CCC(=O)NCCSCc1ccccc1 11a_100000189534_100000210414 [0,0,0,0,0,2|2,0,0]=4 5265 B15R1.962 CCC(=O)NCCSCc1ccccc1 240690a_100000189534_100000210414 [0,0,0,0,0,2|2,0,0]=4 5266 B15R1.962 CCC(=O)NCCSCc1ccccc1 527a_100000189534_100000210414 [0,0,0,0,0,2|2,0,0]=4 5267 B15R1.962 CNC(=O)CCCSCc1ccccc1 62a_100000211182_100000741757 [0,0,0,0,0,2|2,0,0]=4 5268 B15R1.962 CNC(=O)CCCSCc1ccccc1 62a_100000741757_100015291786 [0,0,0,0,0,2|2,0,0]=4 5269 B15R1.962 CNC(=O)CCCSCc1ccccn1 62a_100000721315_100000741757 [0,0,0,0,0,2|2,0,0]=4 5270 B15R1.962 CNC(=O)CCCSCc1ccccn1 62a_100000741757_100000721315 [0,0,0,0,0,2|2,0,0]=4 5271 B15R1.962 CNC(=O)CCCSCc1cccnc1 62a_100000741622_100000741757 [0,0,0,0,0,2|2,0,0]=4 5272 B15R1.962 CNC(=O)CCCSCc1cccnc1 62a_100000741757_100000741622 [0,0,0,0,0,2|2,0,0]=4 5273 B15R1.962 CNC(=O)CCCSCc1cccnn1 62a_100000741757_100016990269 [0,0,0,0,0,2|2,0,0]=4 5274 B15R1.962 CNC(=O)CCCSCc1cccnn1 62a_100016990269_100000741757 [0,0,0,0,0,2|2,0,0]=4 5275 B15R1.962 CNC(=O)CCCSCc1ccncc1 62a_100000741757_100015193705 [0,0,0,0,0,2|2,0,0]=4 5276 B15R1.962 CNC(=O)CCCSCc1ccncc1 62a_100015193705_100000741757 [0,0,0,0,0,2|2,0,0]=4 5277 B15R1.962 CNC(=O)CCCSCc1cnccn1 62a_100000741757_100016995436 [0,0,0,0,0,2|2,0,0]=4 5278 B15R1.962 CNC(=O)CCCSCc1cnccn1 62a_100016995436_100000741757 [0,0,0,0,0,2|2,0,0]=4 5279 B15R1.962 CNC(=O)CCCSCc1ncccn1 62a_100000703007_100000741757 [0,0,0,0,0,2|2,0,0]=4 5280 B15R1.962 CNC(=O)CCCSCc1ncccn1 62a_100000741757_100000703007 [0,0,0,0,0,2|2,0,0]=4 5281 B15R1.962 CNC(=O)CCSCCc1ccccc1 62a_100000737683_100011218657 [0,0,0,0,0,2|2,0,0]=4 5282 B15R1.962 CNC(=O)CCSCCc1ccccc1 62a_100000765856_100000737683 [0,0,0,0,0,2|2,0,0]=4 5283 B15R1.962 CNC(=O)CCSCCc1ccccn1 62a_100000737683_100015183660 [0,0,0,0,0,2|2,0,0]=4 5284 B15R1.962 CNC(=O)CCSCCc1ccccn1 62a_100015183660_100000737683 [0,0,0,0,0,2|2,0,0]=4 5285 B15R1.962 CNC(=O)CCSCCc1cccnc1 62a_100000737683_200011713674 [0,0,0,0,0,2|2,0,0]=4 5286 B15R1.962 CNC(=O)CCSCCc1cccnc1 62a_200011713674_100000737683 [0,0,0,0,0,2|2,0,0]=4 5287 B15R1.962 CNC(=O)CCSCCc1ccncc1 62a_100000723409_100000737683 [0,0,0,0,0,2|2,0,0]=4 5288 B15R1.962 CNC(=O)CCSCCc1ccncc1 62a_100000737683_100000723409 [0,0,0,0,0,2|2,0,0]=4 5289 B15R1.962 CNC(=O)CCSCSc1ccccc1 62a_100000737683_100011218342 [0,0,0,0,0,2|2,0,0]=4 5290 B15R1.962 CNC(=O)CCSCSc1ccccc1 62a_100011218342_100000737683 [0,0,0,0,0,2|2,0,0]=4 5291 B15R1.962 CNC(=O)CNCSCc1ccccc1 2230a_100000693194_200011217039 [0,0,0,0,0,2|2,0,0]=4 5292 B15R1.962 CNC(=O)COCSCc1ccccc1 34a_100000750040_200011217039 [0,0,0,0,0,2|2,0,0]=4 5293 B15R1.962 CNC(=O)CSCSCc1ccccc1 62a_100000183359_200011217039 [0,0,0,0,0,2|2,0,0]=4 5294 B15R1.962 CNC(=O)CSCSCc1ccccc1 62a_200011217039_100000183359 [0,0,0,0,0,2|2,0,0]=4 5295 B15R1.962 CNC(=O)NCCSCc1ccccc1 2708a_100000189534_106832991635 [0,0,0,0,0,2|2,0,0]=4 5296 B15R1.962 CNC(=O)NCCSCc1ccccc1 2708a_100102657272_100000189534 [0,0,0,0,0,2|2,0,0]=4 5297 B15R1.962 CNC(=O)NCCSCc1ccccc1 273464a_100000189534_100102657272 [0,0,0,0,0,2|2,0,0]=4 5298 B15R1.962 CNC(=O)NCCSCc1ccccc1 273464a_100102657272_100000189534 [0,0,0,0,0,2|2,0,0]=4 5299 B15R1.962 CNC(=O)NCCSCc1ccccc1 512a_100000189534_100102657272 [0,0,0,0,0,2|2,0,0]=4 5300 B15R1.962 CNC(=O)NCCSCc1ccccc1 512a_106832991638_100000189534 [0,0,0,0,0,2|2,0,0]=4 5301 B15R1.962 CNC(=O)OCCSCc1ccccc1 62a_100000211182_200011997002 [0,0,0,0,0,2|2,0,0]=4 5302 B15R1.962 CNC(=O)OCCSCc1ccccc1 62a_200011997002_100015291786 [0,0,0,0,0,2|2,0,0]=4 5303 B15R1.962 CNC(=O)OCCSCc1ccccn1 62a_100000721315_200011997002 [0,0,0,0,0,2|2,0,0]=4 5304 B15R1.962 CNC(=O)OCCSCc1ccccn1 62a_200011997002_100000721315 [0,0,0,0,0,2|2,0,0]=4 5305 B15R1.962 CNC(=O)OCCSCc1cccnc1 62a_100000741622_200011997002 [0,0,0,0,0,2|2,0,0]=4 5306 B15R1.962 CNC(=O)OCCSCc1cccnc1 62a_200011997002_100000741622 [0,0,0,0,0,2|2,0,0]=4 5307 B15R1.962 CNC(=O)OCCSCc1cccnn1 62a_100016990269_200011997002 [0,0,0,0,0,2|2,0,0]=4 5308 B15R1.962 CNC(=O)OCCSCc1cccnn1 62a_200011997002_100016990269 [0,0,0,0,0,2|2,0,0]=4 5309 B15R1.962 CNC(=O)OCCSCc1ccncc1 62a_100015193705_200011997002 [0,0,0,0,0,2|2,0,0]=4 5310 B15R1.962 CNC(=O)OCCSCc1ccncc1 62a_200011997002_100015193705 [0,0,0,0,0,2|2,0,0]=4 5311 B15R1.962 CNC(=O)OCCSCc1cnccn1 62a_100016995436_200011997002 [0,0,0,0,0,2|2,0,0]=4 5312 B15R1.962 CNC(=O)OCCSCc1cnccn1 62a_200011997002_100016995436 [0,0,0,0,0,2|2,0,0]=4 5313 B15R1.962 CNC(=O)OCCSCc1ncccn1 62a_100000703007_200011997002 [0,0,0,0,0,2|2,0,0]=4 5314 B15R1.962 CNC(=O)OCCSCc1ncccn1 62a_200011997002_100000703007 [0,0,0,0,0,2|2,0,0]=4 5315 B15R1.962 COC(=O)/C=C/CSCc1ccccc1 62a_100000211182_100000742655 [0,0,0,0,0,2|1,0,1]=4 5316 B15R1.962 COC(=O)/C=C/CSCc1ccccc1 62a_100000742655_100015291786 [0,0,0,0,0,2|1,0,1]=4 5317 B15R1.962 COC(=O)/C=C/CSCc1ccccn1 62a_100000721315_100000742655 [0,0,0,0,0,2|1,0,1]=4 5318 B15R1.962 COC(=O)/C=C/CSCc1ccccn1 62a_100000742655_100000721315 [0,0,0,0,0,2|1,0,1]=4 5319 B15R1.962 COC(=O)/C=C/CSCc1cccnc1 62a_100000741622_100000742655 [0,0,0,0,0,2|1,0,1]=4 5320 B15R1.962 COC(=O)/C=C/CSCc1cccnc1 62a_100000742655_100000741622 [0,0,0,0,0,2|1,0,1]=4 5321 B15R1.962 COC(=O)/C=C/CSCc1cccnn1 62a_100000742655_100016990269 [0,0,0,0,0,2|1,0,1]=4 5322 B15R1.962 COC(=O)/C=C/CSCc1cccnn1 62a_100016990269_100000742655 [0,0,0,0,0,2|1,0,1]=4 5323 B15R1.962 COC(=O)/C=C/CSCc1ccncc1 62a_100000742655_100015193705 [0,0,0,0,0,2|1,0,1]=4 5324 B15R1.962 COC(=O)/C=C/CSCc1ccncc1 62a_100015193705_100000742655 [0,0,0,0,0,2|1,0,1]=4 5325 B15R1.962 COC(=O)/C=C/CSCc1cnccn1 62a_100000742655_100016995436 [0,0,0,0,0,2|1,0,1]=4 5326 B15R1.962 COC(=O)/C=C/CSCc1cnccn1 62a_100016995436_100000742655 [0,0,0,0,0,2|1,0,1]=4 5327 B15R1.962 COC(=O)/C=C/CSCc1ncccn1 62a_100000703007_100000742655 [0,0,0,0,0,2|1,0,1]=4 5328 B15R1.962 COC(=O)/C=C/CSCc1ncccn1 62a_100000742655_100000703007 [0,0,0,0,0,2|1,0,1]=4 5329 B15R1.962 COC(=O)CCCCNc1ccccc1 34a_100000106764_100000204269 [0,0,0,0,0,2|2,0,0]=4 5330 B15R1.962 COC(=O)CCCCOc1ccccc1 34a_100000210340_100000204269 [0,0,0,0,0,2|2,0,0]=4 5331 B15R1.962 COC(=O)CCCCOc1ccccc1 7a_100000210340_100000204269 [0,0,0,0,0,2|2,0,0]=4 5332 B15R1.962 COC(=O)CCCCOc1cccnc1 34a_100000210849_100000204269 [0,0,0,0,0,2|2,0,0]=4 5333 B15R1.962 COC(=O)CCCCOc1cccnc1 7a_100000210849_100000204269 [0,0,0,0,0,2|2,0,0]=4 5334 B15R1.962 COC(=O)CCCCOc1ccncc1 34a_100000212176_100000204269 [0,0,0,0,0,2|2,0,0]=4 5335 B15R1.962 COC(=O)CCCCSc1ccccc1 62a_100000204269_100000041952 [0,0,0,0,0,2|2,0,0]=4 5336 B15R1.962 COC(=O)CCCCSc1ccccc1 62a_100000719477_100000204269 [0,0,0,0,0,2|2,0,0]=4 5337 B15R1.962 COC(=O)CCCCSc1ccccn1 62a_100000204269_100011216584 [0,0,0,0,0,2|2,0,0]=4 5338 B15R1.962 COC(=O)CCCCSc1ccccn1 62a_100011216584_100000204269 [0,0,0,0,0,2|2,0,0]=4 5339 B15R1.962 COC(=O)CCCCSc1cccnc1 62a_100000204269_100000210063 [0,0,0,0,0,2|2,0,0]=4 5340 B15R1.962 COC(=O)CCCCSc1cccnc1 62a_100000210063_100000204269 [0,0,0,0,0,2|2,0,0]=4 5341 B15R1.962 COC(=O)CCCCSc1cccnn1 62a_100000204269_100016991348 [0,0,0,0,0,2|2,0,0]=4 5342 B15R1.962 COC(=O)CCCCSc1cccnn1 62a_100016991348_100000204269 [0,0,0,0,0,2|2,0,0]=4 5343 B15R1.962 COC(=O)CCCCSc1ccncc1 62a_100000204269_100000728582 [0,0,0,0,0,2|2,0,0]=4 5344 B15R1.962 COC(=O)CCCCSc1ccncc1 62a_100000728582_100000204269 [0,0,0,0,0,2|2,0,0]=4 5345 B15R1.962 COC(=O)CCCCSc1ccncn1 62a_100000204269_100000703185 [0,0,0,0,0,2|2,0,0]=4 5346 B15R1.962 COC(=O)CCCCSc1ccncn1 62a_100000703185_100000204269 [0,0,0,0,0,2|2,0,0]=4 5347 B15R1.962 COC(=O)CCCCSc1cnccn1 62a_100000204269_100000211759 [0,0,0,0,0,2|2,0,0]=4 5348 B15R1.962 COC(=O)CCCCSc1cnccn1 62a_100000211759_100000204269 [0,0,0,0,0,2|2,0,0]=4 5349 B15R1.962 COC(=O)CCCCSc1ncccn1 62a_100000204269_100000211032 [0,0,0,0,0,2|2,0,0]=4 5350 B15R1.962 COC(=O)CCCCSc1ncccn1 62a_100000211032_100000204269 [0,0,0,0,0,2|2,0,0]=4 5351 B15R1.962 COC(=O)CCCNCc1ccccc1 2230a_100015324214_100011218270 [0,0,0,0,0,2|2,0,0]=4 5352 B15R1.962 COC(=O)CCCNCc1ccccc1 34a_100015324214_100000742333 [0,0,0,0,0,2|2,0,0]=4 5353 B15R1.962 COC(=O)CCCNCc1cccnn1 2230a_100159270163_100011218270 [0,0,0,0,0,2|2,0,0]=4 5354 B15R1.962 COC(=O)CCCOCc1ccccc1 34a_100000210790_100000742333 [0,0,0,0,0,2|1,1,0]=4 5355 B15R1.962 COC(=O)CCCOCc1ccccc1 7a_100000210790_100011218270 [0,0,0,0,0,2|1,1,0]=4 5356 B15R1.962 COC(=O)CCCSCc1ccccc1 62a_100000211182_100011218270 [0,0,0,0,0,2|1,0,0]=3 5357 B15R1.962 COC(=O)CCCSCc1ccccc1 62a_100011218270_100015291786 [0,0,0,0,0,2|1,0,0]=3 5358 B15R1.962 COC(=O)CCCSCc1ccccn1 62a_100000721315_100011218270 [0,0,0,0,0,2|1,0,0]=3 5359 B15R1.962 COC(=O)CCCSCc1ccccn1 62a_100011218270_100000721315 [0,0,0,0,0,2|1,0,0]=3 5360 B15R1.962 COC(=O)CCCSCc1cccnc1 62a_100000741622_100011218270 [0,0,0,0,0,2|1,0,0]=3 5361 B15R1.962 COC(=O)CCCSCc1cccnc1 62a_100011218270_100000741622 [0,0,0,0,0,2|1,0,0]=3 5362 B15R1.962 COC(=O)CCCSCc1cccnn1 62a_100011218270_100016990269 [0,0,0,0,0,2|1,0,0]=3 5363 B15R1.962 COC(=O)CCCSCc1cccnn1 62a_100016990269_100011218270 [0,0,0,0,0,2|1,0,0]=3 5364 B15R1.962 COC(=O)CCCSCc1ccncc1 62a_100011218270_100015193705 [0,0,0,0,0,2|1,0,0]=3 5365 B15R1.962 COC(=O)CCCSCc1ccncc1 62a_100015193705_100011218270 [0,0,0,0,0,2|1,0,0]=3 5366 B15R1.962 COC(=O)CCCSCc1cnccn1 62a_100011218270_100016995436 [0,0,0,0,0,2|1,0,0]=3 5367 B15R1.962 COC(=O)CCCSCc1cnccn1 62a_100016995436_100011218270 [0,0,0,0,0,2|1,0,0]=3 5368 B15R1.962 COC(=O)CCCSCc1cncnc1 62a_100011218270_100015196519 [0,0,0,0,0,2|2,0,0]=4 5369 B15R1.962 COC(=O)CCCSCc1cncnc1 62a_100015196519_100011218270 [0,0,0,0,0,2|2,0,0]=4 5370 B15R1.962 COC(=O)CCCSCc1ncccn1 62a_100000703007_100011218270 [0,0,0,0,0,2|1,0,0]=3 5371 B15R1.962 COC(=O)CCCSCc1ncccn1 62a_100011218270_100000703007 [0,0,0,0,0,2|1,0,0]=3 5372 B15R1.962 COC(=O)CCNCCc1ccccc1 2230a_100000106460_100000204255 [0,0,0,0,0,2|2,0,0]=4 5373 B15R1.962 COC(=O)CCNCCc1ccccc1 34a_100000106460_100000742370 [0,0,0,0,0,2|2,0,0]=4 5374 B15R1.962 COC(=O)CCNCCc1cccnc1 2230a_100000736294_100000204255 [0,0,0,0,0,2|2,0,0]=4 5375 B15R1.962 COC(=O)CCOCCc1ccccc1 34a_100000210268_100000742370 [0,0,0,0,0,2|1,1,0]=4 5376 B15R1.962 COC(=O)CCOCCc1ccccc1 7a_100000210268_100000204255 [0,0,0,0,0,2|1,1,0]=4 5377 B15R1.962 COC(=O)CCOCCc1ccccn1 34a_100000210271_100000742370 [0,0,0,0,0,2|1,1,0]=4 5378 B15R1.962 COC(=O)CCOCCc1cccnc1 34a_100011217484_100000742370 [0,0,0,0,0,2|1,1,0]=4 5379 B15R1.962 COC(=O)CCOCCc1ccncc1 34a_100011216225_100000742370 [0,0,0,0,0,2|1,1,0]=4 5380 B15R1.962 COC(=O)CCOCCc1cnccn1 34a_100011349526_100000742370 [0,0,0,0,0,2|1,1,0]=4 5381 B15R1.962 COC(=O)CCSCCc1ccccc1 62a_100000204255_100011218657 [0,0,0,0,0,2|1,0,0]=3 5382 B15R1.962 COC(=O)CCSCCc1ccccc1 62a_100000765856_100000204255 [0,0,0,0,0,2|1,0,0]=3 5383 B15R1.962 COC(=O)CCSCCc1ccccn1 62a_100000204255_100015183660 [0,0,0,0,0,2|1,0,0]=3 5384 B15R1.962 COC(=O)CCSCCc1ccccn1 62a_100015183660_100000204255 [0,0,0,0,0,2|1,0,0]=3 5385 B15R1.962 COC(=O)CCSCCc1cccnc1 62a_100000204255_200011713674 [0,0,0,0,0,2|1,0,0]=3 5386 B15R1.962 COC(=O)CCSCCc1cccnc1 62a_200011713674_100000204255 [0,0,0,0,0,2|1,0,0]=3 5387 B15R1.962 COC(=O)CCSCCc1ccncc1 62a_100000204255_100000723409 [0,0,0,0,0,2|1,0,0]=3 5388 B15R1.962 COC(=O)CCSCCc1ccncc1 62a_100000723409_100000204255 [0,0,0,0,0,2|1,0,0]=3 5389 B15R1.962 COC(=O)CCSCSc1ccccc1 62a_100000204255_100011218342 [0,0,0,0,0,2|1,0,0]=3 5390 B15R1.962 COC(=O)CCSCSc1ccccc1 62a_100011218342_100000204255 [0,0,0,0,0,2|1,0,0]=3 5391 B15R1.962 COC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747449 [0,0,0,0,0,2|2,0,0]=4 5392 B15R1.962 COC(=O)CNCCCc1ccccc1 34a_100000211184_100000747449 [0,0,0,0,0,2|2,0,0]=4 5393 B15R1.962 COC(=O)CNCCCc1cccnc1 2230a_100011532358_100000747449 [0,0,0,0,0,2|2,0,0]=4 5394 B15R1.962 COC(=O)CNCCCc1cccnc1 34a_100011532358_100000747449 [0,0,0,0,0,2|2,0,0]=4 5395 B15R1.962 COC(=O)CNCCCc1ccncc1 2230a_100011275580_100000747449 [0,0,0,0,0,2|2,0,0]=4 5396 B15R1.962 COC(=O)COCCCC1=CCC=CC1 34a_100020667889_100000747449 [0,0,0,0,0,2|2,0,0]=4 5397 B15R1.962 COC(=O)COCCCc1ccccc1 34a_100000210828_100000747449 [0,0,0,0,0,2|2,0,0]=4 5398 B15R1.962 COC(=O)COCCCc1ccccc1 7a_100000210828_100000747449 [0,0,0,0,0,2|2,0,0]=4 5399 B15R1.962 COC(=O)COCCCc1ccccn1 34a_100011215068_100000747449 [0,0,0,0,0,2|2,0,0]=4 5400 B15R1.962 COC(=O)COCCCc1cccnc1 34a_100000211284_100000747449 [0,0,0,0,0,2|2,0,0]=4 5401 B15R1.962 COC(=O)COCCCc1ccncc1 34a_100000210659_100000747449 [0,0,0,0,0,2|2,0,0]=4 5402 B15R1.962 COC(=O)CSCCCc1ccccc1 62a_100000211621_100000747449 [0,0,0,0,0,2|2,0,0]=4 5403 B15R1.962 COC(=O)CSCCCc1ccccc1 62a_100000747449_100000211621 [0,0,0,0,0,2|2,0,0]=4 5404 B15R1.962 COC(=O)CSCOCc1ccccc1 62a_100000747449_100000763385 [0,0,0,0,0,2|1,1,0]=4 5405 B15R1.962 COC(=O)CSCOCc1ccccc1 62a_100000763385_100000747449 [0,0,0,0,0,2|1,1,0]=4 5406 B15R1.962 COC(=O)CSCSCc1ccccc1 62a_100000747449_200011217039 [0,0,0,0,0,2|1,0,0]=3 5407 B15R1.962 COC(=O)CSCSCc1ccccc1 62a_200011217039_100000747449 [0,0,0,0,0,2|1,0,0]=3 5408 B15R1.962 COC(=O)NCCOCc1ccccc1 34a_100000757965_100015291786 [0,0,0,0,0,2|1,1,0]=4 5409 B15R1.962 COC(=O)NCCOCc1ccccn1 34a_100000757965_100000721315 [0,0,0,0,0,2|1,1,0]=4 5410 B15R1.962 COC(=O)NCCOCc1cccnc1 34a_100000757965_100000733263 [0,0,0,0,0,2|1,1,0]=4 5411 B15R1.962 COC(=O)NCCOCc1cccnn1 34a_100000757965_100016990269 [0,0,0,0,0,2|1,1,0]=4 5412 B15R1.962 COC(=O)NCCOCc1cnccn1 34a_100000757965_100016995436 [0,0,0,0,0,2|1,1,0]=4 5413 B15R1.962 COC(=O)NCCOCc1ncccn1 34a_100000757965_100000703007 [0,0,0,0,0,2|1,1,0]=4 5414 B15R1.962 COC(=O)OCCOCc1ccccc1 34a_100010262106_100015291786 [0,0,0,0,0,2|1,1,0]=4 5415 B15R1.962 COC(=O)OCCOCc1ccccn1 34a_100010262106_100000721315 [0,0,0,0,0,2|1,1,0]=4 5416 B15R1.962 COC(=O)OCCOCc1cccnc1 34a_100010262106_100000733263 [0,0,0,0,0,2|1,1,0]=4 5417 B15R1.962 COC(=O)OCCOCc1cccnn1 34a_100010262106_100016990269 [0,0,0,0,0,2|1,1,0]=4 5418 B15R1.962 COC(=O)OCCOCc1cnccn1 34a_100010262106_100016995436 [0,0,0,0,0,2|1,1,0]=4 5419 B15R1.962 COC(=O)OCCOCc1ncccn1 34a_100010262106_100000703007 [0,0,0,0,0,2|1,1,0]=4 5420 B15R1.962 COC(=O)OCSCCc1ccccc1 62a_100000765856_100000139417 [0,0,0,0,0,2|2,0,0]=4 5421 B15R1.962 COC(=O)OCSCCc1ccccn1 62a_100015183660_100000139417 [0,0,0,0,0,2|2,0,0]=4 5422 B15R1.962 COC(=O)OCSCCc1cccnc1 62a_200011713674_100000139417 [0,0,0,0,0,2|2,0,0]=4 5423 B15R1.962 COC(=O)OCSCCc1ccncc1 62a_100000723409_100000139417 [0,0,0,0,0,2|2,0,0]=4 5424 B15R1.962 COC(=O)OCSCSc1ccccc1 62a_100011218342_100000139417 [0,0,0,0,0,2|2,0,0]=4 5425 B15R1.975 CCC(=O)CNCCSCc1ccco1 7a_100000184675_100000747405 [0,0,0,0,0,2|1,0,0]=3 5426 B15R1.975 CNC(=O)CCCNCCc1ccco1 2230a_100000694680_100000741757 [0,0,0,0,0,2|2,0,0]=4 5427 B15R1.975 CNC(=O)CCCNCCc1ccco1 34a_100000694680_100000741757 [0,0,0,0,0,2|2,0,0]=4 5428 B15R1.975 CNC(=O)CCCSCCc1cccs1 62a_100000741757_100000748579 [0,0,0,0,0,2|1,1,0]=4 5429 B15R1.975 CNC(=O)CCCSCCc1cccs1 62a_100000748579_100000741757 [0,0,0,0,0,2|1,1,0]=4 5430 B15R1.975 CNC(=O)CCNCC=Cc1ccco1 270004a_100000738227_100000185671 [0,0,0,0,0,2|2,0,0]=4 5431 B15R1.975 CNC(=O)CCSCCCc1cccs1 62a_100000737683_100010992444 [0,0,0,0,0,2|1,1,0]=4 5432 B15R1.975 CNC(=O)CCSCCCc1cccs1 62a_100010992444_100000737683 [0,0,0,0,0,2|1,1,0]=4 5433 B15R1.975 CNC(=O)CNCCSCc1ccco1 2230a_100000184675_100000183359 [0,0,0,0,0,2|1,0,0]=3 5434 B15R1.975 CNC(=O)CNCCSCc1ccco1 7a_100000184675_100000183359 [0,0,0,0,0,2|1,0,0]=3 5435 B15R1.975 CNC(=O)OCCNCCc1ccco1 34a_100000694680_200011997002 [0,0,0,0,0,2|2,0,0]=4 5436 B15R1.975 CNC(=O)OCCSCCc1cccs1 62a_100000748579_200011997002 [0,0,0,0,0,2|1,1,0]=4 5437 B15R1.975 CNC(=O)OCCSCCc1cccs1 62a_200011997002_100000748579 [0,0,0,0,0,2|1,1,0]=4 5438 B15R1.975 COC(=O)/C=C/CNCCc1ccco1 2230a_100000694680_100000742655 [0,0,0,0,0,2|1,0,1]=4 5439 B15R1.975 COC(=O)/C=C/CNCCc1ccco1 34a_100000694680_100000742655 [0,0,0,0,0,2|1,0,1]=4 5440 B15R1.975 COC(=O)/C=C/CSCCc1cccs1 62a_100000742655_100000748579 [0,0,0,0,0,2|0,1,1]=4 5441 B15R1.975 COC(=O)/C=C/CSCCc1cccs1 62a_100000748579_100000742655 [0,0,0,0,0,2|0,1,1]=4 5442 B15R1.975 COC(=O)CCCCCSc1ccco1 62a_100009814098_100009816466 [0,0,0,0,0,2|1,0,0]=3 5443 B15R1.975 COC(=O)CCCCCSc1ccco1 62a_100009816466_100009814098 [0,0,0,0,0,2|1,0,0]=3 5444 B15R1.975 COC(=O)CCCCCSc1cccs1 62a_100009816466_100011215356 [0,0,0,0,0,2|1,1,0]=4 5445 B15R1.975 COC(=O)CCCCCSc1cccs1 62a_100011215356_100009816466 [0,0,0,0,0,2|1,1,0]=4 5446 B15R1.975 COC(=O)CCCCCSc1cnco1 62a_100009816466_100020591547 [0,0,0,0,0,2|2,0,0]=4 5447 B15R1.975 COC(=O)CCCCCSc1cnco1 62a_100020591547_100009816466 [0,0,0,0,0,2|2,0,0]=4 5448 B15R1.975 COC(=O)CCCCCSc1ncco1 62a_100009816466_100011787736 [0,0,0,0,0,2|2,0,0]=4 5449 B15R1.975 COC(=O)CCCCCSc1ncco1 62a_100011787736_100009816466 [0,0,0,0,0,2|2,0,0]=4 5450 B15R1.975 COC(=O)CCCCNCc1ccco1 2230a_100000185738_100000204269 [0,0,0,0,0,2|1,0,0]=3 5451 B15R1.975 COC(=O)CCCCNCc1ccco1 34a_100000185738_100000204269 [0,0,0,0,0,2|1,0,0]=3 5452 B15R1.975 COC(=O)CCCCNCc1cccs1 2230a_100000211653_100000204269 [0,0,0,0,0,2|1,1,0]=4 5453 B15R1.975 COC(=O)CCCCNCc1ncco1 2230a_100016994969_100000204269 [0,0,0,0,0,2|2,0,0]=4 5454 B15R1.975 COC(=O)CCCCOCc1ccco1 34a_100000210059_100000204269 [0,0,0,0,0,2|0,1,0]=3 5455 B15R1.975 COC(=O)CCCCOCc1cccs1 34a_100000211240_100000204269 [0,0,0,0,0,2|0,2,0]=4 5456 B15R1.975 COC(=O)CCCCOCc1ccno1 34a_100000740478_100000204269 [0,0,0,0,0,2|1,1,0]=4 5457 B15R1.975 COC(=O)CCCCOCc1ncco1 34a_100000059025_103436540062 [0,0,0,0,0,2|1,1,0]=4 5458 B15R1.975 COC(=O)CCCCOCc1ncco1 34a_100000062594_100000204269 [0,0,0,0,0,2|1,1,0]=4 5459 B15R1.975 COC(=O)CCCCOCc1ncco1 7a_100000059025_103436540062 [0,0,0,0,0,2|1,1,0]=4 5460 B15R1.975 COC(=O)CCCCSCc1c[nH]cn1 62a_100000204269_100000707719 [0,0,0,0,0,2|2,0,0]=4 5461 B15R1.975 COC(=O)CCCCSCc1c[nH]cn1 62a_100000707719_100000204269 [0,0,0,0,0,2|2,0,0]=4 5462 B15R1.975 COC(=O)CCCCSCc1ccn[nH]1 62a_100000204269_100000728653 [0,0,0,0,0,2|2,0,0]=4 5463 B15R1.975 COC(=O)CCCCSCc1ccn[nH]1 62a_100000728653_100000204269 [0,0,0,0,0,2|2,0,0]=4 5464 B15R1.975 COC(=O)CCCCSCc1ccon1 62a_100000204269_100000234950 [0,0,0,0,0,2|2,0,0]=4 5465 B15R1.975 COC(=O)CCCCSCc1ccon1 62a_100000234950_100000204269 [0,0,0,0,0,2|2,0,0]=4 5466 B15R1.975 COC(=O)CCCCSCc1ccsc1 62a_100000204269_100011233845 [0,0,0,0,0,2|2,0,0]=4 5467 B15R1.975 COC(=O)CCCCSCc1ccsc1 62a_100011261437_100000204269 [0,0,0,0,0,2|2,0,0]=4 5468 B15R1.975 COC(=O)CCCCSCc1cncs1 62a_100000204269_100015185245 [0,0,0,0,0,2|1,1,0]=4 5469 B15R1.975 COC(=O)CCCCSCc1cncs1 62a_100015185245_100000204269 [0,0,0,0,0,2|1,1,0]=4 5470 B15R1.975 COC(=O)CCCCSCc1cscn1 62a_100000204269_100000205941 [0,0,0,0,0,2|2,0,0]=4 5471 B15R1.975 COC(=O)CCCCSCc1cscn1 62a_100000205941_100000204269 [0,0,0,0,0,2|2,0,0]=4 5472 B15R1.975 COC(=O)CCCCSCc1ncc[nH]1 62a_100000204269_100016991755 [0,0,0,0,0,2|2,0,0]=4 5473 B15R1.975 COC(=O)CCCCSCc1ncc[nH]1 62a_100016991755_100000204269 [0,0,0,0,0,2|2,0,0]=4 5474 B15R1.975 COC(=O)CCCCSCc1ncco1 62a_100000204269_103436540062 [0,0,0,0,0,2|1,0,0]=3 5475 B15R1.975 COC(=O)CCCCSCc1ncco1 62a_103436540062_100000204269 [0,0,0,0,0,2|1,0,0]=3 5476 B15R1.975 COC(=O)CCCCSCc1nccs1 62a_100000204269_100015184050 [0,0,0,0,0,2|1,1,0]=4 5477 B15R1.975 COC(=O)CCCCSCc1nccs1 62a_100015184050_100000204269 [0,0,0,0,0,2|1,1,0]=4 5478 B15R1.975 COC(=O)CCCNCCc1ccco1 2230a_100000694680_100011218270 [0,0,0,0,0,2|1,0,0]=3 5479 B15R1.975 COC(=O)CCCNCCc1ccco1 34a_100000694680_100000742333 [0,0,0,0,0,2|1,0,0]=3 5480 B15R1.975 COC(=O)CCCNCCc1cccs1 2230a_100000203755_100011218270 [0,0,0,0,0,2|1,1,0]=4 5481 B15R1.975 COC(=O)CCCNCCc1cccs1 34a_100000203755_100000742333 [0,0,0,0,0,2|1,1,0]=4 5482 B15R1.975 COC(=O)CCCOCCc1cccs1 34a_100011216825_100000742333 [0,0,0,0,0,2|0,2,0]=4 5483 B15R1.975 COC(=O)CCCOCCc1cccs1 7a_100011216825_100011218270 [0,0,0,0,0,2|0,2,0]=4 5484 B15R1.975 COC(=O)CCCSCCc1c[nH]cn1 62a_100011218270_100020628418 [0,0,0,0,0,2|2,0,0]=4 5485 B15R1.975 COC(=O)CCCSCCc1c[nH]cn1 62a_100020628418_100011218270 [0,0,0,0,0,2|2,0,0]=4 5486 B15R1.975 COC(=O)CCCSCCc1cccs1 62a_100000748579_100011218270 [0,0,0,0,0,2|0,1,0]=3 5487 B15R1.975 COC(=O)CCCSCCc1cccs1 62a_100011218270_100000748579 [0,0,0,0,0,2|0,1,0]=3 5488 B15R1.975 COC(=O)CCCSCCn1cccc1 62a_100011218270_200000035178 [0,0,0,0,0,2|2,0,0]=4 5489 B15R1.975 COC(=O)CCCSCCn1cccc1 62a_200009811947_100011218270 [0,0,0,0,0,2|2,0,0]=4 5490 B15R1.975 COC(=O)CCCSCCn1cccn1 62a_100011218270_100000685285 [0,0,0,0,0,2|2,0,0]=4 5491 B15R1.975 COC(=O)CCCSCCn1cccn1 62a_100015204718_100011218270 [0,0,0,0,0,2|2,0,0]=4 5492 B15R1.975 COC(=O)CCOCCCc1cccs1 34a_100011713143_100000742370 [0,0,0,0,0,2|0,2,0]=4 5493 B15R1.975 COC(=O)CCOCCCc1cccs1 7a_100011713143_100000204255 [0,0,0,0,0,2|0,2,0]=4 5494 B15R1.975 COC(=O)CCSCCCc1cccs1 62a_100000204255_100010992444 [0,0,0,0,0,2|0,1,0]=3 5495 B15R1.975 COC(=O)CCSCCCc1cccs1 62a_100010992444_100000204255 [0,0,0,0,0,2|0,1,0]=3 5496 B15R1.975 COC(=O)CCSCCCn1cccc1 62a_100000204255_200009814367 [0,0,0,0,0,2|2,0,0]=4 5497 B15R1.975 COC(=O)CCSCCCn1cccc1 62a_200009814367_100000204255 [0,0,0,0,0,2|2,0,0]=4 5498 B15R1.975 COC(=O)CCSCCCn1cccn1 62a_100000204255_100000739983 [0,0,0,0,0,2|2,0,0]=4 5499 B15R1.975 COC(=O)CCSCCCn1cccn1 62a_100000739983_100000204255 [0,0,0,0,0,2|2,0,0]=4 5500 B15R1.975 COC(=O)CNCCSCc1ccco1 2230a_100000184675_100000747449 [0,0,0,0,0,2|0,0,0]=2 5501 B15R1.975 COC(=O)CNCCSCc1ccco1 7a_100000184675_100000747449 [0,0,0,0,0,2|0,0,0]=2 5502 B15R1.975 COC(=O)COCCNCc1ccco1 2230a_100000185738_100000090808 [0,0,0,0,0,2|1,0,0]=3 5503 B15R1.975 COC(=O)COCCNCc1ccco1 34a_100000185738_100000090808 [0,0,0,0,0,2|1,0,0]=3 5504 B15R1.975 COC(=O)COCCNCc1cccs1 2230a_100000211653_100000090808 [0,0,0,0,0,2|1,1,0]=4 5505 B15R1.975 COC(=O)COCCNCc1ncco1 2230a_100016994969_100000090808 [0,0,0,0,0,2|2,0,0]=4 5506 B15R1.975 COC(=O)COCCOCc1ccco1 34a_100000210059_100000090808 [0,0,0,0,0,2|0,1,0]=3 5507 B15R1.975 COC(=O)COCCOCc1cccs1 34a_100000211240_100000090808 [0,0,0,0,0,2|0,2,0]=4 5508 B15R1.975 COC(=O)COCCOCc1ccno1 34a_100000740478_100000090808 [0,0,0,0,0,2|1,1,0]=4 5509 B15R1.975 COC(=O)COCCOCc1ncco1 34a_100000062594_100000090808 [0,0,0,0,0,2|1,1,0]=4 5510 B15R1.975 COC(=O)COCCSCc1c[nH]cn1 62a_100000090808_100000707719 [0,0,0,0,0,2|2,0,0]=4 5511 B15R1.975 COC(=O)COCCSCc1c[nH]cn1 62a_100000707719_100000090808 [0,0,0,0,0,2|2,0,0]=4 5512 B15R1.975 COC(=O)COCCSCc1ccn[nH]1 62a_100000090808_100000728653 [0,0,0,0,0,2|2,0,0]=4 5513 B15R1.975 COC(=O)COCCSCc1ccn[nH]1 62a_100000728653_100000090808 [0,0,0,0,0,2|2,0,0]=4 5514 B15R1.975 COC(=O)COCCSCc1ccon1 62a_100000090808_100000234950 [0,0,0,0,0,2|2,0,0]=4 5515 B15R1.975 COC(=O)COCCSCc1ccon1 62a_100000234950_100000090808 [0,0,0,0,0,2|2,0,0]=4 5516 B15R1.975 COC(=O)COCCSCc1ccsc1 62a_100000090808_100011233845 [0,0,0,0,0,2|2,0,0]=4 5517 B15R1.975 COC(=O)COCCSCc1ccsc1 62a_100011261437_100000090808 [0,0,0,0,0,2|2,0,0]=4 5518 B15R1.975 COC(=O)COCCSCc1cncs1 62a_100000090808_100015185245 [0,0,0,0,0,2|1,1,0]=4 5519 B15R1.975 COC(=O)COCCSCc1cncs1 62a_100015185245_100000090808 [0,0,0,0,0,2|1,1,0]=4 5520 B15R1.975 COC(=O)COCCSCc1cscn1 62a_100000090808_100000205941 [0,0,0,0,0,2|2,0,0]=4 5521 B15R1.975 COC(=O)COCCSCc1cscn1 62a_100000205941_100000090808 [0,0,0,0,0,2|2,0,0]=4 5522 B15R1.975 COC(=O)COCCSCc1ncc[nH]1 62a_100000090808_100016991755 [0,0,0,0,0,2|2,0,0]=4 5523 B15R1.975 COC(=O)COCCSCc1ncc[nH]1 62a_100016991755_100000090808 [0,0,0,0,0,2|2,0,0]=4 5524 B15R1.975 COC(=O)COCCSCc1ncco1 62a_100000090808_103436540062 [0,0,0,0,0,2|1,0,0]=3 5525 B15R1.975 COC(=O)COCCSCc1ncco1 62a_103436540062_100000090808 [0,0,0,0,0,2|1,0,0]=3 5526 B15R1.975 COC(=O)COCCSCc1nccs1 62a_100000090808_100015184050 [0,0,0,0,0,2|1,1,0]=4 5527 B15R1.975 COC(=O)COCCSCc1nccs1 62a_100015184050_100000090808 [0,0,0,0,0,2|1,1,0]=4 5528 B15R1.975 COC(=O)NCCOCCc1cccs1 34a_100000757965_100000748579 [0,0,0,0,0,2|0,2,0]=4 5529 B15R1.975 COC(=O)OCCOCCc1cccs1 34a_100010262106_100000748579 [0,0,0,0,0,2|0,2,0]=4 5530 B15R1.975 COC(=O)OCSCCCc1cccs1 62a_100010992444_100000139417 [0,0,0,0,0,2|1,1,0]=4