0 B14R2.892 CCNCC1CCCn2c1ncc2 3d251df004881f7f649790f4ef7b3888 [0,1,0,0,0,0|3,0,0]=4 1 B14R2.892 FCNCC1CCCn2c1ncc2 ffa6f5228d134cb565915637c2b7a23c [0,1,0,0,0,0|3,0,0]=4 2 B14R2.892 OCNCC1CCCn2c1ncc2 d2aaf1ddc02d048c8b6d82be99e50acb [0,1,0,0,0,0|3,0,0]=4 3 B12R1.37 C#CCCNCCc1ccsc1 3d2599f54660a1eb344e8887b8f85694 [0,0,1,0,0,0|2,0,1]=4 4 B12R1.37 C#CCCOCCc1ccoc1 98b93d52b63a622d12d1a90136f401e4 [0,0,1,0,0,0|1,1,1]=4 5 B12R1.37 C#CCCOCCc1ccsc1 0af82c123f411ba481770ea413be9d41 [0,0,1,0,0,0|1,0,1]=3 6 B12R1.37 C#CCCOCCc1cscn1 712664c36beb49d031181d64b5d08557 [0,0,1,0,0,0|2,0,1]=4 7 B12R1.37 C/C=C/CNCCc1ccsc1 5a7a18e5f47c72a7293f08624eacfb5d [0,0,1,0,0,0|2,0,1]=4 8 B12R1.37 C/C=C/COCCc1ccoc1 d3e7e72f5af8e4640d79222a637124b7 [0,0,1,0,0,0|1,1,1]=4 9 B12R1.37 C/C=C/COCCc1ccsc1 4d7bebae239f8d6e582a65d0e7df1836 [0,0,1,0,0,0|1,0,1]=3 10 B12R1.37 C/C=C/COCCc1cscn1 5df12efc05ffe906e96f6006fefed884 [0,0,1,0,0,0|2,0,1]=4 11 B12R1.37 C/C=C\CNCCc1ccsc1 a7d72b46136e045c09861ff1456ad710 [0,0,1,0,0,0|2,0,1]=4 12 B12R1.37 C/C=C\COCCc1ccoc1 33cdeb5aa478d9df22d13d4c3f9baf68 [0,0,1,0,0,0|1,1,1]=4 13 B12R1.37 C/C=C\COCCc1ccsc1 1e47cfa598ac2336b08614ca03a1c58a [0,0,1,0,0,0|1,0,1]=3 14 B12R1.37 C/C=C\COCCc1cscn1 eab277c6fda0a824e429f7fe9bbddb51 [0,0,1,0,0,0|2,0,1]=4 15 B12R1.37 C=CCCNCCc1ccsc1 a89626f19a415646722e12509714c276 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.37 C=CCCOCCc1ccoc1 e4b3a58bb67bddf76455ff8c34c21c4e [0,0,1,0,0,0|1,1,1]=4 17 B12R1.37 C=CCCOCCc1ccsc1 5b0e0d2940a2cec032db95aa0cf9bada [0,0,1,0,0,0|1,0,1]=3 18 B12R1.37 C=CCCOCCc1cscn1 a1be6c9c39d9141764c6c18bc7637d74 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.37 CC#CCNCCc1ccsc1 2fa15934a62ed4753b95e616e515d0bf [0,0,1,0,0,0|2,0,1]=4 20 B12R1.37 CC#CCOCCc1ccsc1 592115caaa38a056f4bf68256cb571f5 [0,0,1,0,0,0|1,0,1]=3 21 B12R1.37 CC#CCOCCc1cscn1 23044afe5c0df3515681df9378c95f1b [0,0,1,0,0,0|2,0,1]=4 22 B12R1.37 CC=CCNCCc1ccsc1 5fee2b9cdc58a111d522f281207fe9ab [0,0,1,0,0,0|2,0,1]=4 23 B12R1.37 CC=CCOCCc1ccsc1 63d157ed6e98c05f8e557ad83ccab744 [0,0,1,0,0,0|1,0,1]=3 24 B12R1.37 CC=CCOCCc1cscn1 cdbd94ba485fbe3c4d7fc5324984fb4a [0,0,1,0,0,0|2,0,1]=4 25 B12R1.37 CCCCCCNc1ccsc1 5ba40a52416a11397194d3617b38f0ff [0,0,1,0,0,0|3,0,0]=4 26 B12R1.37 CCCCCCOc1ccsc1 a7610cf63e6a46c86b579b49f9213938 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.37 CCCCCNCc1ccsc1 510dddad8ded30079c478dd1899eed5a [0,0,1,0,0,0|3,0,0]=4 28 B12R1.37 CCCCCOCc1ccsc1 ae1ae703d33c8e0732dd3bd7899b2ac1 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.37 CCCCNCCc1ccsc1 03005826e547d3678744c5840318ae4c [0,0,1,0,0,0|2,0,0]=3 30 B12R1.37 CCCCNCCc1cscn1 60645d4405e84ba342ad7e49549674db [0,0,1,0,0,0|3,0,0]=4 31 B12R1.37 CCCCOCCc1c[nH]cn1 1d2ad080616480e76814deb7197a4ec1 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.37 CCCCOCCc1cc[nH]n1 7f862ee5252b10efabc380b59aebb0c7 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.37 CCCCOCCc1ccc[nH]1 2a249f4ef911c7d8e77cd7a1400e21b3 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.37 CCCCOCCc1ccco1 fbd46e274ee803351ace623e362366aa [0,0,1,0,0,0|3,0,0]=4 35 B12R1.37 CCCCOCCc1cccs1 47097e7bfcc74e542094fab3faba3fa4 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.37 CCCCOCCc1ccoc1 da9e77b0fa6c4a1131d57cb2e0c1b34a [0,0,1,0,0,0|1,1,0]=3 37 B12R1.37 CCCCOCCc1ccon1 23ea2f853889a2ef22b0dea7c28c7d6e [0,0,1,0,0,0|2,1,0]=4 38 B12R1.37 CCCCOCCc1ccsc1 ac92ac2fee99f06dba56f03c017187e8 [0,0,1,0,0,0|1,0,0]=2 39 B12R1.37 CCCCOCCc1cn[nH]c1 60586425952f5aa5ef84d91e4eca85cf [0,0,1,0,0,0|3,0,0]=4 40 B12R1.37 CCCCOCCc1cnoc1 9b96a57bba92665cb4e4de529a2e0004 [0,0,1,0,0,0|2,1,0]=4 41 B12R1.37 CCCCOCCc1cscn1 b5608be31537b23a230e8eebf8b8c6a2 [0,0,1,0,0,0|2,0,0]=3 42 B12R1.37 CCCCOCCn1cccc1 003141c0103e2139db2e5ca156580184 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.37 CCCCOCCn1ccnc1 9825bce2272cb99aa76935cc5b523d2c [0,0,1,0,0,0|3,0,0]=4 44 B12R1.37 CCCCOCNc1ccsc1 bc99b63296cae555f3f2244eaf6e9f72 [0,0,1,0,0,0|2,0,0]=3 45 B12R1.37 CCCCOCNc1cnsc1 d796be28fe90cd2c617c42dd9cacef48 [0,0,1,0,0,0|3,0,0]=4 46 B12R1.37 CCCCOCNc1cscn1 524a825bf3b2491776d5ed87a0eec1a7 [0,0,1,0,0,0|3,0,0]=4 47 B12R1.37 CCCCOCOc1ccsc1 a5104ed8d348ce0565ced09e00148c2a [0,0,1,0,0,0|2,0,0]=3 48 B12R1.37 CCCNCCCc1ccsc1 cb14ba7ff4b0a489366f6e57d42af54b [0,0,1,0,0,0|3,0,0]=4 49 B12R1.37 CCCOCCCc1ccsc1 d00ef8d58f6d2c3c3ef484f820b66091 [0,0,1,0,0,0|3,0,0]=4 50 B12R1.37 CCOCNCCc1ccsc1 177b05799b0624fe0267ce5ec6311d6a [0,0,1,0,0,0|3,0,0]=4 51 B12R1.37 CCOCOCCc1ccsc1 7287a0de3e2119cbceca9b60976f7bb5 [0,0,1,0,0,0|2,0,0]=3 52 B12R1.37 COCCCCNc1ccsc1 a8091a389925f5ebc150e5ea36a60f89 [0,0,1,0,0,0|3,0,0]=4 53 B12R1.37 COCCCCOc1ccsc1 4ac89e04d27d37e1058b8c886045fd7c [0,0,1,0,0,0|3,0,0]=4 54 B12R1.37 COCCCNCc1ccsc1 93fdb982263e2a4d29eb07c957212067 [0,0,1,0,0,0|3,0,0]=4 55 B12R1.37 COCCCOCc1ccsc1 2536b6ab0876849f21cb33bdf59d0603 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.37 COCCNCCc1ccsc1 b9d40f3307ce27960b49ce6f71d9eaad [0,0,1,0,0,0|2,0,0]=3 57 B12R1.37 COCCNCCc1cscn1 f999ebd28a7864105f621455493c04cb [0,0,1,0,0,0|3,0,0]=4 58 B12R1.37 COCCOCCc1c[nH]cn1 47437c57a69338472d20c69abc4557ff [0,0,1,0,0,0|3,0,0]=4 59 B12R1.37 COCCOCCc1cc[nH]n1 7f22baed0b4bb9cd8dbfb17d2be11e84 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.37 COCCOCCc1ccc[nH]1 90bf431a191a40fb8eb79a51b010a349 [0,0,1,0,0,0|3,0,0]=4 61 B12R1.37 COCCOCCc1ccco1 05e8e40f243da5f99036c5e6ef6d5c89 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.37 COCCOCCc1cccs1 84c5915dd00338084a593eb352c26239 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.37 COCCOCCc1ccoc1 45ad6f63974c44ce6d45c1b819cd085f [0,0,1,0,0,0|1,1,0]=3 64 B12R1.37 COCCOCCc1ccon1 d18c9f05ca44861ad08aa16d40ebf942 [0,0,1,0,0,0|2,1,0]=4 65 B12R1.37 COCCOCCc1ccsc1 ddea5d9f5d03f8bc607595a7c170e27d [0,0,1,0,0,0|1,0,0]=2 66 B12R1.37 COCCOCCc1cn[nH]c1 48e1a7657c12da2434504a81d1bd0e4a [0,0,1,0,0,0|3,0,0]=4 67 B12R1.37 COCCOCCc1cnoc1 34d1925a2be6193ec1c8027d23f220d4 [0,0,1,0,0,0|2,1,0]=4 68 B12R1.37 COCCOCCc1cscn1 7cd762975a649c8ff7ab184966d6c584 [0,0,1,0,0,0|2,0,0]=3 69 B12R1.37 COCCOCCn1cccc1 1565e9ea9a7440ac517d8832113a169a [0,0,1,0,0,0|3,0,0]=4 70 B12R1.37 COCCOCCn1ccnc1 121e88fe023d6adb2e9fad4f51e0c5c1 [0,0,1,0,0,0|3,0,0]=4 71 B12R1.37 COCCOCNc1ccsc1 ccbc12eadddb67e0fcc18241a1474184 [0,0,1,0,0,0|2,0,0]=3 72 B12R1.37 COCCOCNc1cnsc1 312422495412157e5c2fee386b0c77a0 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.37 COCCOCNc1cscn1 4db3ec285c5b85e5951dc27039b26209 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.37 COCCOCOc1ccsc1 670a4b562b98ee18dfee8f5e60b4dd0e [0,0,1,0,0,0|2,0,0]=3 75 B12R1.37 COCOCCCc1ccsc1 e879ab65e0d9eb5b07fb133974edd30a [0,0,1,0,0,0|3,0,0]=4 76 B12R1.37 CSCCCCNc1ccsc1 ac748ad03995b7d8cbce2659c214c631 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.37 CSCCCNCc1ccsc1 049814003c5eb2e86836fc6608eebc0c [0,0,1,0,0,0|3,0,0]=4 78 B12R1.37 CSCCCOCc1ccsc1 3f526fb3ff02cd22bfb67b6dfc1035eb [0,0,1,0,0,0|3,0,0]=4 79 B12R1.37 CSCCNCCc1ccsc1 6edff3acafc8e929e608010672e61572 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.37 CSCCNCCc1cscn1 6ac37bbd2631dc193453584ec6ca404a [0,0,1,0,0,0|3,0,0]=4 81 B12R1.37 CSCCOCCc1c[nH]cn1 10ca0986c0b1603fde614963cc83042c [0,0,1,0,0,0|3,0,0]=4 82 B12R1.37 CSCCOCCc1cc[nH]n1 c72360f6528a9ce4a1020fd8ce2ff693 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.37 CSCCOCCc1ccc[nH]1 c1a559f498e400f07cfbda686f9517fa [0,0,1,0,0,0|3,0,0]=4 84 B12R1.37 CSCCOCCc1ccco1 c31cc98bf1dd46e179f8e4d694311de9 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.37 CSCCOCCc1cccs1 8595457cd2f3854df2c868d56b09ab35 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.37 CSCCOCCc1ccoc1 33fc86659a1eb83b7f55e6a226c350ab [0,0,1,0,0,0|1,1,0]=3 87 B12R1.37 CSCCOCCc1ccon1 6943c6c8f73d068b6486392ec8c78541 [0,0,1,0,0,0|2,1,0]=4 88 B12R1.37 CSCCOCCc1ccsc1 150c3b2bed246ea4fb35dcbc458c75d1 [0,0,1,0,0,0|1,0,0]=2 89 B12R1.37 CSCCOCCc1cn[nH]c1 93b5064cc1e9a11fe76875441e0568c8 [0,0,1,0,0,0|3,0,0]=4 90 B12R1.37 CSCCOCCc1cnoc1 4e6f30af5d943e944a3659236c14f611 [0,0,1,0,0,0|2,1,0]=4 91 B12R1.37 CSCCOCCc1cscn1 b2560d7e15f4fe7b09cf11ef597d5473 [0,0,1,0,0,0|2,0,0]=3 92 B12R1.37 CSCCOCCn1cccc1 bf5548e0473111abedbfcd4e5dd6c2e2 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.37 CSCCOCCn1ccnc1 725e210343e69e7ac696fe1a05b85156 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.37 CSCOCCCc1ccsc1 03641b830b94b1a499f0ee61e50f8916 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.37 Cl/C=C/COCCc1ccsc1 af3f4535fa9466adc05477acfd95e708 [0,0,1,0,0,0|2,0,1]=4 96 B12R1.37 Cl/C=C\COCCc1ccsc1 c283dc8ccc5c714acd0d1f9a5e8c9e5e [0,0,1,0,0,0|2,0,1]=4 97 B12R1.37 ClC=CCOCCc1ccsc1 942b6d15d2d032c7a1c39a50eb63c363 [0,0,1,0,0,0|2,0,1]=4 98 B12R1.37 ClCCCNCCc1ccsc1 e7b1f1bb4bf385f18cd8d6e484dada2f [0,0,1,0,0,0|3,0,0]=4 99 B12R1.37 FCCCNCCc1ccsc1 b9b9a66ab6ad15bdb6a77383811c72fb [0,0,1,0,0,0|3,0,0]=4 100 B12R1.37 FCCCOCCc1ccoc1 6dabb22d0a8cef93162677af632a5836 [0,0,1,0,0,0|2,1,0]=4 101 B12R1.37 FCCCOCCc1ccsc1 9ffb2a7a2b41888b57f96eaf746c86f2 [0,0,1,0,0,0|2,0,0]=3 102 B12R1.37 FCCCOCCc1cscn1 3ce1f2c4f013761d6752239b29245ac3 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.37 IC#CCOCCc1ccsc1 2ad0a7b4f31499ae6c519d89bdaaffba [0,0,1,0,0,0|2,0,1]=4 104 B12R1.37 N#CCCNCCc1ccsc1 45ca2935405d3f50b2cbfdfbf04684f1 [0,0,1,0,0,0|3,0,0]=4 105 B12R1.37 N#CCCOCCc1ccoc1 645c108e122eac0830d55222f8ce8899 [0,0,1,0,0,0|2,1,0]=4 106 B12R1.37 N#CCCOCCc1ccsc1 87a85ac039a0ef689fd83342eae3d017 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.37 N#CCCOCCc1cscn1 8f5daccf171972c780f14e84b373dd1b [0,0,1,0,0,0|3,0,0]=4 108 B12R1.37 N#CSCOCCc1ccsc1 f3bd212fbd93dcab3d9763668ae6b6c2 [0,0,1,0,0,0|3,0,0]=4 109 B12R1.37 NOCCNCCc1ccsc1 087910908c7f9d6f6dc79d6611144092 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.37 O=CCCNCCc1ccsc1 201ce68a7f6d177343fa00898c998361 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.37 O=CCCOCCc1ccoc1 79d49dbbf539d8d8d426b8a035ba65fc [0,0,1,0,0,0|2,1,0]=4 112 B12R1.37 O=CCCOCCc1ccsc1 3022589e9902ce55385ee764e66b4cee [0,0,1,0,0,0|2,0,0]=3 113 B12R1.37 O=CCCOCCc1cscn1 f2be67e7c47c260865691eecf8808eef [0,0,1,0,0,0|3,0,0]=4 114 B12R1.37 OCCCNCCc1ccsc1 018a68026772759b06c27d614343d693 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.37 SCCCNCCc1ccsc1 7f0c2201a3983732817d78a82cf6687d [0,0,1,0,0,0|3,0,0]=4 116 B12R1.37 SCCCOCCc1ccoc1 07c587db886e0f527aa9f48a567d230a [0,0,1,0,0,0|2,1,0]=4 117 B12R1.37 SCCCOCCc1ccsc1 e43ef2f946763f54f1103e8ca1ac1cbc [0,0,1,0,0,0|2,0,0]=3 118 B12R1.37 SCCCOCCc1cscn1 1e8bc757413a43af372d703ef80bb359 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.293 C=CCC(OCC)c1ccco1 6a5e1ad5898ce01a332ce768d7867a7c [0,0,1,0,0,0|1,1,1]=4 120 B12R1.293 CCCC(NCC)c1cccs1 cec8000331bbd1768c86cb9fd935c7f2 [0,0,1,0,0,0|2,0,0]=3 121 B12R1.293 CCCC(NCF)c1cccs1 54613fefc714faa2764312c1a79c2dac [0,0,1,0,0,0|3,0,0]=4 122 B12R1.293 CCCC(NCO)c1cccs1 bda0c9d05610ecaaf508da3421a0c618 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.293 CCCC(OCC)c1cccs1 9ec41d067da7681220b95b00ce3c1f66 [0,0,1,0,0,0|1,0,0]=2 124 B12R1.293 CCCC(OCF)c1cccs1 a5ce9cac72dcac79e24c4aa92f78a1ab [0,0,1,0,0,0|2,0,0]=3 125 B12R1.293 CCNC(CCO)c1cccs1 d317e03b387dfba69ba515e7fe20f09c [0,0,1,0,0,0|3,0,0]=4 126 B12R1.293 CCOC(CC#N)c1ccco1 b504e367568d16229441ef85afe6f6e2 [0,0,1,0,0,0|2,1,0]=4 127 B12R1.293 CCOC(CC#N)c1cccs1 9a0c237907891bf2f30211167173eaf3 [0,0,1,0,0,0|2,0,0]=3 128 B12R1.293 N#CCC(OCF)c1cccs1 0c68eff637578e955821eee6d57310e6 [0,0,1,0,0,0|3,0,0]=4 129 B14R2.458 CCCN1CCCc2ccsc2C1 a45a510dac67c164e3178c4a540e168b [0,0,0,0,0,1|3,0,0]=4 130 B14R2.458 COCN1CCCc2ccsc2C1 dceacc94323e91501701529ce608b65c [0,0,0,0,0,1|3,0,0]=4 131 B14R2.458 CSCN1CCCc2ccsc2C1 25dd154eda7062f2e0a06e1b802555ec [0,0,0,0,0,1|3,0,0]=4 132 B11R1.4 BrCCNCCc1ccsc1 4a35244a235a700a7a92fb84da95642f [1,0,1,0,0,0|2,0,0]=4 133 B11R1.4 C#CCCOCc1ccsc1 9ac34e6923296163c4a908021c567d53 [1,0,1,0,0,0|1,0,1]=4 134 B11R1.4 C#CCOCCc1ccsc1 c32cf8b5de32baf525f2287eabac1b9c [1,0,1,0,0,0|0,0,2]=4 135 B11R1.4 C/C=C/COCc1ccsc1 1a31dff01b2c9d8302c8cd112694a3ac [1,0,1,0,0,0|1,0,1]=4 136 B11R1.4 C/C=C\COCc1ccsc1 c240a4e641a11641eef4563e8a229c72 [1,0,1,0,0,0|1,0,1]=4 137 B11R1.4 C=CCCOCc1ccsc1 f050d77876a4aa3e7a195aeb98fca0dd [1,0,1,0,0,0|1,0,1]=4 138 B11R1.4 C=CCOCCc1ccsc1 8f61c4f174ceee9eeb20e66392b6f6f6 [1,0,1,0,0,0|0,0,2]=4 139 B11R1.4 CC#CCOCc1ccsc1 097b8bfce5c59fa9d066d1773a1811aa [1,0,1,0,0,0|1,0,1]=4 140 B11R1.4 CC=CCOCc1ccsc1 3276975b86c7063b83e658f74f42f485 [1,0,1,0,0,0|1,0,1]=4 141 B11R1.4 CCCCCNc1ccsc1 de022f84aa76209e7bcaabaa38bac726 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.4 CCCCCOc1ccsc1 dd49135ea18d372e9a057cf4e9f47384 [1,0,1,0,0,0|2,0,0]=4 143 B11R1.4 CCCCNCc1ccsc1 fad81054f84c8302ac588ac9e034d301 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.4 CCCCOCc1cc[nH]c1 581bc78654672672d8839f84f1994efa [1,0,1,0,0,0|2,0,0]=4 145 B11R1.4 CCCCOCc1ccoc1 1cadfa682bb5a9af12fa0ba0bf74414e [1,0,1,0,0,0|1,1,0]=4 146 B11R1.4 CCCCOCc1ccsc1 758768cfe76022235190e084f876000a [1,0,1,0,0,0|1,0,0]=3 147 B11R1.4 CCCCOCc1ccsn1 fee5f2971e6cac7e22aaf3ff31f53bbd [1,0,1,0,0,0|2,0,0]=4 148 B11R1.4 CCCCOCc1cnsc1 d000b4e022676a505ae296dbd6346fd6 [1,0,1,0,0,0|2,0,0]=4 149 B11R1.4 CCCCOCc1cscn1 68e4eeea8b2c221b9ea78b8387e66ca6 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.4 CCCNCCc1ccsc1 1536374e7579f3b5df16484c53bd352f [1,0,1,0,0,0|1,0,0]=3 151 B11R1.4 CCCNCCc1cscn1 29f669849f317b7ecbc34774cd24e763 [1,0,1,0,0,0|2,0,0]=4 152 B11R1.4 CCCOCCc1c[nH]cn1 b153bf5049d0a5387dd8550da7bcdec7 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.4 CCCOCCc1cc[nH]n1 f066b154a85b290b852e9bfb94955164 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.4 CCCOCCc1ccc[nH]1 5fef4db54b1b5d041886351ac954673a [1,0,1,0,0,0|2,0,0]=4 155 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [1,0,1,0,0,0|2,0,0]=4 156 B11R1.4 CCCOCCc1cccs1 3efc7159f8ad1bcf58697e9254fd54d1 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.4 CCCOCCc1ccoc1 bc991c92cafa29c358102c9d241d422b [1,0,1,0,0,0|0,1,0]=3 158 B11R1.4 CCCOCCc1ccon1 fb90bcf3e81f1f8e1cf2ba4638065286 [1,0,1,0,0,0|1,1,0]=4 159 B11R1.4 CCCOCCc1ccsc1 93af440748e435ae9ef2283312b49f0a [1,0,1,0,0,0|0,0,0]=2 160 B11R1.4 CCCOCCc1cn[nH]c1 22ac4d3a04c1009471741cf3384aa0a7 [1,0,1,0,0,0|2,0,0]=4 161 B11R1.4 CCCOCCc1cnoc1 60467f6de168935cafd09eaf3314d840 [1,0,1,0,0,0|1,1,0]=4 162 B11R1.4 CCCOCCc1cscn1 eb46aaf56455d56b0b27aa516512be07 [1,0,1,0,0,0|1,0,0]=3 163 B11R1.4 CCCOCCn1cccc1 56ffc6bce88a3c31d83fbdbc55fd9a5b [1,0,1,0,0,0|2,0,0]=4 164 B11R1.4 CCCOCCn1ccnc1 e23cfd88768b3dcf8950aa1759914316 [1,0,1,0,0,0|2,0,0]=4 165 B11R1.4 CCOCCCc1ccsc1 c73cd67ea9cc8ae727db74d99d865074 [1,0,1,0,0,0|2,0,0]=4 166 B11R1.4 CCOCOCc1ccsc1 0b65207f8fd466ee44b0b843dde2cd0a [1,0,1,0,0,0|2,0,0]=4 167 B11R1.4 COCCCNc1ccsc1 d910de907982bdb6d2cbea7665877ea7 [1,0,1,0,0,0|2,0,0]=4 168 B11R1.4 COCCCOc1ccsc1 f37b02f502cfcdead48bf16d2ce511a2 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.4 COCCNCc1ccsc1 541b35d2334b84a1d599839e5bcb03bc [1,0,1,0,0,0|2,0,0]=4 170 B11R1.4 COCCOCc1cc[nH]c1 642e078d891d98cb6df02afb6738b066 [1,0,1,0,0,0|2,0,0]=4 171 B11R1.4 COCCOCc1ccoc1 8aa5b618d954632c161b50baf6b29d3e [1,0,1,0,0,0|1,1,0]=4 172 B11R1.4 COCCOCc1ccsc1 8f6fab02b5ace309a7ff01c05375888c [1,0,1,0,0,0|1,0,0]=3 173 B11R1.4 COCCOCc1ccsn1 797c55451bef14213fe7342021de8adb [1,0,1,0,0,0|2,0,0]=4 174 B11R1.4 COCCOCc1cnsc1 57b1bfc295ca4b759c5ad518ad78a46c [1,0,1,0,0,0|2,0,0]=4 175 B11R1.4 COCCOCc1cscn1 197719d3c45ddfc23c59e9170b5c9099 [1,0,1,0,0,0|2,0,0]=4 176 B11R1.4 COCNCCc1ccsc1 26515c6119bc9d848b06ede2a4bb45e5 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.4 COCOCCc1ccoc1 51b3dd371af199ca604991f5cf3a72ce [1,0,1,0,0,0|1,1,0]=4 178 B11R1.4 COCOCCc1ccsc1 58e1b514e5363b59740ca9634d97ea6c [1,0,1,0,0,0|1,0,0]=3 179 B11R1.4 COCOCCc1cscn1 32aad87b43d535d694bc03e7078a2d6c [1,0,1,0,0,0|2,0,0]=4 180 B11R1.4 CSCCCNc1ccsc1 b3c2acf3d8f35348b19107c842963b14 [1,0,1,0,0,0|2,0,0]=4 181 B11R1.4 CSCCCOc1ccsc1 dadd93741486f40343b6f812952a1972 [1,0,1,0,0,0|2,0,0]=4 182 B11R1.4 CSCCNCc1ccsc1 e44cf78862996290bed04b8bceabc28e [1,0,1,0,0,0|2,0,0]=4 183 B11R1.4 CSCCOCc1cc[nH]c1 08fea5e015c4a3d04cbe6b565e712060 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.4 CSCCOCc1ccoc1 cd55e314581ad3093df73b5d4f73731c [1,0,1,0,0,0|1,1,0]=4 185 B11R1.4 CSCCOCc1ccsc1 861aaddf20053ff3e3279bae84ce3a94 [1,0,1,0,0,0|1,0,0]=3 186 B11R1.4 CSCCOCc1ccsn1 0160342dc999b38781627aaa12560333 [1,0,1,0,0,0|2,0,0]=4 187 B11R1.4 CSCCOCc1cnsc1 4eab86b6c45ce3422343edcdc15623c4 [1,0,1,0,0,0|2,0,0]=4 188 B11R1.4 CSCCOCc1cscn1 e0a714db992b49a6c059079210f1a199 [1,0,1,0,0,0|2,0,0]=4 189 B11R1.4 CSCNCCc1ccsc1 108cbe713a53259557996461f775d07a [1,0,1,0,0,0|2,0,0]=4 190 B11R1.4 CSCOCCc1ccoc1 0c66f31bd56d8b072f17dd2757b61fa2 [1,0,1,0,0,0|1,1,0]=4 191 B11R1.4 CSCOCCc1ccsc1 50095dc198c6dc0f5dd2f7fb06a0b813 [1,0,1,0,0,0|1,0,0]=3 192 B11R1.4 CSCOCCc1cscn1 195966d4f536840856634de95de788ee [1,0,1,0,0,0|2,0,0]=4 193 B11R1.4 FCCCOCc1ccsc1 efc33fc4d228e4142cdf14948c66e0ec [1,0,1,0,0,0|2,0,0]=4 194 B11R1.4 FCCNCCc1ccsc1 aa3933d06339128561ef2b306ff9a7e9 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.4 FCCOCCc1ccoc1 e73706a1be5772d6d3a0b68ab617c993 [1,0,1,0,0,0|1,1,0]=4 196 B11R1.4 FCCOCCc1ccsc1 d12d940e9620a9cdf1911b2a5fb4c4a2 [1,0,1,0,0,0|1,0,0]=3 197 B11R1.4 FCCOCCc1cscn1 a6c5ea155c25ff5357e165113da8889e [1,0,1,0,0,0|2,0,0]=4 198 B11R1.4 ICCNCCc1ccsc1 93c7547c377eb8f2e9025f4ddb3c42e6 [1,0,1,0,0,0|2,0,0]=4 199 B11R1.4 N#CCCOCc1ccsc1 74732486eb6883b0d9e16efd1eaeaa91 [1,0,1,0,0,0|2,0,0]=4 200 B11R1.4 N#CCOCCc1ccsc1 e4984a1c5bfe6a14e0ef7de46c89e9fe [1,0,1,0,0,0|0,0,2]=4 201 B11R1.4 O=CCCOCc1ccsc1 18baf0fabdd54f09fe1100b72f818310 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.4 O=CCOCCc1ccsc1 57f34ca4801419716e6f05453abc5263 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.4 OCCNCCc1ccsc1 a65da01e99f833f056da0c38a50e94fa [1,0,1,0,0,0|2,0,0]=4 204 B11R1.4 SCCCOCc1ccsc1 27409bb04c3340abc05d647c61a5bb27 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.4 SCCNCCc1ccsc1 1bc5fe907cb8887ead961e1960594c7b [1,0,1,0,0,0|2,0,0]=4 206 B11R1.4 SCCOCCc1ccoc1 69d2912519fcf54fad8da34c2819e5bd [1,0,1,0,0,0|1,1,0]=4 207 B11R1.4 SCCOCCc1ccsc1 3df72841d238242b7b23680e4f40e0d7 [1,0,1,0,0,0|1,0,0]=3 208 B11R1.4 SCCOCCc1cscn1 a80c0d699e4a54b47618fa1817f90870 [1,0,1,0,0,0|2,0,0]=4 209 B11R1.2 CCC(NCF)c1cccs1 fc4698c7aac184aebf4bdcad093cf19e [1,0,1,0,0,0|2,0,0]=4 210 B11R1.2 CCC(NCO)c1cccs1 c0b2ad0f9017bc65adc55d22020263b9 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.2 CCC(OCF)c1ccco1 ac337bac6fb9bd0ac14ac4bc9f5cd638 [1,0,1,0,0,0|1,1,0]=4 212 B11R1.2 CCNC(CC)c1ccco1 d9957093663ca1628850ab1b41e745f2 [1,0,1,0,0,0|1,1,0]=4 213 B11R1.2 CCNC(CC)c1cccs1 779e2ee9b925f47b48ecbceb1e2abe88 [1,0,1,0,0,0|1,0,0]=3 214 B11R1.2 CCOC(CC)c1ccco1 366fc859f101fd1b46dbaf490df0422e [1,0,1,0,0,0|0,1,0]=3 215 B11R1.18 CCCNc1sccc1CC 3e298c8dda0d4da51cd705fb50c3fa09 [1,0,1,0,0,0|2,0,0]=4 216 B11R1.18 CCCNc1sccc1CO f8611ae46a8754422a89671673b7e76a [1,0,1,0,0,0|2,0,0]=4 217 B13R1.27 C#CCCOCCc1csc(c1)Cl 9053303c3e0101ab1da0871523d107c8 [0,1,1,0,0,0|1,0,1]=4 218 B13R1.27 C/C=C/COCCc1csc(c1)Cl b4ce80f761b2be6080c01fb63eb512b2 [0,1,1,0,0,0|1,0,1]=4 219 B13R1.27 C/C=C\COCCc1csc(c1)Cl 38d6eee8fca6571f8f1d48d79fea1ad7 [0,1,1,0,0,0|1,0,1]=4 220 B13R1.27 C=CCCOCCc1csc(c1)Cl 4914b2834f6ffe96ca15874d88af995a [0,1,1,0,0,0|1,0,1]=4 221 B13R1.27 CCCCOCCc1csc(c1)Cl 43448c5e9d9ff9b92ba8538c7fcfeee8 [0,1,1,0,0,0|1,0,0]=3 222 B13R1.27 CCCCOCCc1csc(n1)Br 8904bf5f91f2d6c84cd3aa1cecb76c07 [0,1,1,0,0,0|2,0,0]=4 223 B13R1.27 CCCCOCCc1csc(n1)C 12b2a27dece36c5e5d826ff660c4bd30 [0,1,1,0,0,0|2,0,0]=4 224 B13R1.27 CCOCOCCc1csc(c1)Cl a45ffb320bbfd5b65c8532fa72901814 [0,1,1,0,0,0|2,0,0]=4 225 B13R1.27 COCCOCCc1csc(c1)Cl b1da63f39d3aadb3c9a6029adb75b9b3 [0,1,1,0,0,0|1,0,0]=3 226 B13R1.27 COCCOCCc1csc(n1)Br 84794e84b699b626d8570bc32a38cb3c [0,1,1,0,0,0|2,0,0]=4 227 B13R1.27 COCCOCCc1csc(n1)C 116d50c9115c8fded3482b20d250ac83 [0,1,1,0,0,0|2,0,0]=4 228 B13R1.27 CSCCOCCc1csc(c1)Cl c994f40d0d6aead22d0236563500d10d [0,1,1,0,0,0|1,0,0]=3 229 B13R1.27 CSCCOCCc1csc(n1)Br 501a224a08aef9ed8e1d60b3d292c283 [0,1,1,0,0,0|2,0,0]=4 230 B13R1.27 CSCCOCCc1csc(n1)C f732cea6a656be424bf3b9863ca7eb41 [0,1,1,0,0,0|2,0,0]=4 231 B13R1.27 FCCCOCCc1csc(c1)Cl bb77c01004756a4021393c01ac21d591 [0,1,1,0,0,0|2,0,0]=4 232 B13R1.27 N#CCCOCCc1csc(c1)Cl 743c974da07160b980153f3c892b999c [0,1,1,0,0,0|2,0,0]=4 233 B13R1.27 O=CCCOCCc1csc(c1)Cl 86eb3ca64a0caa4f682be67eef47fdaa [0,1,1,0,0,0|2,0,0]=4 234 B13R1.27 SCCCOCCc1csc(c1)Cl 5ba559a5dd3f7b87f555898ca73db919 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.48 CCCCOCC(=O)c1ccsc1 e606959b4313281c0d87577da5cb801c [0,1,1,0,0,0|1,0,1]=4 236 B13R1.48 CCCCOCN(C)c1ccsc1 c1372ba742f42273c0b9b38997e93a00 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.48 COCCOCC(=O)c1ccsc1 7acfc42577a3da05eaac87072a38b78a [0,1,1,0,0,0|1,0,1]=4 238 B13R1.48 COCCOCN(C)c1ccsc1 2def35ffb0e5e6c4c9fcfb55549832a4 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.48 CSCCOCC(=O)c1ccsc1 9673942f734a16d103c7761d2e340047 [0,1,1,0,0,0|1,0,1]=4 240 B13R1.119 C#CCCCOCCc1ccsc1 daa14ec8d66f0273dc17ee487b204bbc [0,1,1,0,0,0|1,0,1]=4 241 B13R1.119 C#CCCOCCCc1ccsc1 5515359de13db0245594d763e462308e [0,1,1,0,0,0|1,0,1]=4 242 B13R1.119 C/C=C/CCOCCc1ccsc1 35e941db47f41364a3f0aa32b5f9abbe [0,1,1,0,0,0|1,0,0]=3 243 B13R1.119 C/C=C/CCOCCc1cscn1 2f6fed58f10de2fee28a9fe10524f49e [0,1,1,0,0,0|2,0,0]=4 244 B13R1.119 C/C=C/COCCCc1ccsc1 bfd8418b7c1ac0b111a276f203d0d53e [0,1,1,0,0,0|1,0,1]=4 245 B13R1.119 C/C=C\COCCCc1ccsc1 4c0dc6b961d89b705829afa07ded0cf2 [0,1,1,0,0,0|1,0,1]=4 246 B13R1.119 C=C=CCCOCCc1ccsc1 873680e6acf92961a8bf4d7f2bb4baab [0,1,1,0,0,0|1,0,1]=4 247 B13R1.119 C=CCCCOCCc1ccsc1 3ad573f0394ae05472d620fc0df5b98b [0,1,1,0,0,0|1,0,1]=4 248 B13R1.119 C=CCCOCCCc1ccsc1 5146cc575b94ed1c3ef75253b68d4aff [0,1,1,0,0,0|1,0,1]=4 249 B13R1.119 C=COCCOCCc1ccsc1 9e948e9aabb0cb85e87f88746d6120be [0,1,1,0,0,0|1,0,1]=4 250 B13R1.119 CC#CCCOCCc1ccsc1 510ba16764cb705c059c15e9af7276fe [0,1,1,0,0,0|1,0,0]=3 251 B13R1.119 CC#CCCOCCc1cscn1 6fe630479cf6c7ee1e4938ecd1ca03ec [0,1,1,0,0,0|2,0,0]=4 252 B13R1.119 CC#CCOCCCc1ccsc1 be7db169f60a23be59d2d1e181d930b8 [0,1,1,0,0,0|1,0,1]=4 253 B13R1.119 CC/C=C/COCCc1ccsc1 94f38e6830966b1bda3f9a29d554f9bd [0,1,1,0,0,0|1,0,1]=4 254 B13R1.119 CC/C=C\COCCc1ccsc1 e3bded3eba0719dd6c0324321b9dca26 [0,1,1,0,0,0|1,0,1]=4 255 B13R1.119 CC=CCOCCCc1ccsc1 0f2a888b5735bce5760090a7182d0281 [0,1,1,0,0,0|1,0,1]=4 256 B13R1.119 CCC#CCOCCc1ccsc1 b37f274a30531051150d1029cfd6a3b2 [0,1,1,0,0,0|1,0,1]=4 257 B13R1.119 CCCCCCCNc1ccsc1 ca95150621e6d9ab1085806d3e3ea348 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.119 CCCCCCCOc1ccsc1 79a98624b3213325b8684e167b63400b [0,1,1,0,0,0|2,0,0]=4 259 B13R1.119 CCCCCCNCc1ccsc1 db76eafbddc8a7eed92c6379b0aa8290 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.119 CCCCCCOCc1ccsc1 044eb8da84def5498d84d675189c8d85 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.119 CCCCCNCCc1ccsc1 ef358b507733e3fdafa5f927ef7d35ba [0,1,1,0,0,0|2,0,0]=4 262 B13R1.119 CCCCCOCCc1ccoc1 8c5bf8113bcdac844260455866fc8788 [0,1,1,0,0,0|1,1,0]=4 263 B13R1.119 CCCCCOCCc1ccsc1 6985c0a285af3fd06e142804d2bffa6e [0,1,1,0,0,0|1,0,0]=3 264 B13R1.119 CCCCCOCCc1cscn1 99bbd174f122ea98c4d77273ace23f18 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.119 CCCCNCCCc1ccsc1 777a0daf92d6a08bfb71e55b5ac5c449 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.119 CCCCOCCCc1ccsc1 69b5d83e7b4fa4e0fce91e081e6e5f24 [0,1,1,0,0,0|1,0,0]=3 267 B13R1.119 CCCCOCCNc1ccoc1 1c5cec3949fb41f1734cc8ea160eb375 [0,1,1,0,0,0|1,1,0]=4 268 B13R1.119 CCCCOCCNc1ccsc1 097c43d452e29eece2ef544af09f99df [0,1,1,0,0,0|1,0,0]=3 269 B13R1.119 CCCCOCCNc1ccsn1 32f0e62aacf5c23cf6b0f92abe24d112 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.119 CCCCOCCNc1cnsc1 dbafd6a6221799518b5beecfb54beca9 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.119 CCCCOCCNc1cscn1 07aa331b284613bee56b1184fdfd476e [0,1,1,0,0,0|2,0,0]=4 272 B13R1.119 CCCCOCCOc1ccsc1 da72939023956efda79ce2ff3c9d291f [0,1,1,0,0,0|1,0,0]=3 273 B13R1.119 CCCCOCNCc1cc[nH]c1 abb5c7d522c81a8026dcad4e56922a67 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.119 CCCCOCNCc1ccoc1 583c25dfa944ca23066f858057a2d1b2 [0,1,1,0,0,0|1,1,0]=4 275 B13R1.119 CCCCOCNCc1ccsc1 00ebebec109faed036f9a46d2d80c08e [0,1,1,0,0,0|1,0,0]=3 276 B13R1.119 CCCCOCNCc1ccsn1 a08423b81a8965dd1fa9446dcb714dde [0,1,1,0,0,0|2,0,0]=4 277 B13R1.119 CCCCOCNCc1cnsc1 b8de99a9e485bb87cefd526b0e8f1505 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.119 CCCCOCNCc1cscn1 5ef72fe61ccc37cc3384f5e8a1f8f302 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.119 CCCCOCOCc1cc[nH]c1 e4fa4105f88d488cbaf358f262c44e8a [0,1,1,0,0,0|2,0,0]=4 280 B13R1.119 CCCCOCOCc1ccsc1 adb47a4aea735a86d1473a1cdc8f339a [0,1,1,0,0,0|1,0,0]=3 281 B13R1.119 CCCCOCOCc1ccsn1 e809289129caedd832cfc0506c590b18 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.119 CCCCOCOCc1cnsc1 32cf3e75cddbe35747c251554df6c9a4 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.119 CCCCOCOCc1cscn1 75454dcf21fccb4f307fa1887242925c [0,1,1,0,0,0|2,0,0]=4 284 B13R1.119 CCOCCNCCc1ccsc1 c48044b156261377690a89328c76e137 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.119 CCOCCOCCc1ccoc1 9f3dfc5b4f134e2e2f6a63cd2c4351aa [0,1,1,0,0,0|1,1,0]=4 286 B13R1.119 CCOCCOCCc1ccsc1 99cf9f781201752ff7091607f75e5f71 [0,1,1,0,0,0|1,0,0]=3 287 B13R1.119 CCOCCOCCc1cscn1 f2e271c5f2e5743e8983dfade818492f [0,1,1,0,0,0|2,0,0]=4 288 B13R1.119 CCOCOCCCc1ccsc1 2d23b34fbf814d156e1ffc1766cf3cc0 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.119 CCSCCNCCc1ccsc1 b8563cc916092b28dc41c107864ad872 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.119 CCSCCOCCc1ccsc1 78593333d2c3e8af1b953aac52883426 [0,1,1,0,0,0|1,0,0]=3 291 B13R1.119 CCSCCOCCc1cscn1 0525897bd2e559087cd055f47efb7c05 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.119 COCCCCCNc1ccsc1 57ae783e9f9a9e449cd57ef950e67123 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.119 COCCCCCOc1ccsc1 96b0ccadc0bce5eefca0a70176afa857 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.119 COCCCCNCc1ccsc1 290f4ea602e0be0edea234ef7fdeaa96 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.119 COCCCCOCc1ccsc1 5f7431653668eee1b5d6606ded3ac110 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.119 COCCCNCCc1ccsc1 fe3c936874604b918dee33aa2ed1cb81 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.119 COCCCOCCc1ccoc1 20c6427ffd6bc8c3f161c2519c83a0bb [0,1,1,0,0,0|1,1,0]=4 298 B13R1.119 COCCCOCCc1ccsc1 ee100d63b3c8271cb5152eb7d9eefbd2 [0,1,1,0,0,0|1,0,0]=3 299 B13R1.119 COCCCOCCc1cscn1 76449641e25029189b3560e679bbfe0b [0,1,1,0,0,0|2,0,0]=4 300 B13R1.119 COCCNCCCc1ccsc1 c6bc0fdf51d7ba6b13c904bffa9c48e2 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.119 COCCOCCCc1ccsc1 f50acf7d896aed61f418e2b9103644a8 [0,1,1,0,0,0|1,0,0]=3 302 B13R1.119 COCCOCCNc1ccoc1 c188be4cff2d8ef2479f121f9f49481c [0,1,1,0,0,0|1,1,0]=4 303 B13R1.119 COCCOCCNc1ccsc1 b215be902c25f4166be2a0edce0526f8 [0,1,1,0,0,0|1,0,0]=3 304 B13R1.119 COCCOCCNc1ccsn1 69176ab6f9d5947acc4321fff1a8f2e8 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.119 COCCOCCNc1cnsc1 9fd5f6d49c0790cf516d8bd9f2a98fb8 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.119 COCCOCCNc1cscn1 01f2e7af8f742761f60ed1a9ea3d0c2d [0,1,1,0,0,0|2,0,0]=4 307 B13R1.119 COCCOCCOc1ccsc1 d10133b0ee7624bd5f522b4e100e6187 [0,1,1,0,0,0|1,0,0]=3 308 B13R1.119 COCCOCNCc1cc[nH]c1 9aae9a51863e1af5a4ef3f79fc60b69d [0,1,1,0,0,0|2,0,0]=4 309 B13R1.119 COCCOCNCc1ccoc1 4f7854c65a7ddf233093b7ff07169ab0 [0,1,1,0,0,0|1,1,0]=4 310 B13R1.119 COCCOCNCc1ccsc1 8e0cab188db7d139a7269c1de773bfe9 [0,1,1,0,0,0|1,0,0]=3 311 B13R1.119 COCCOCNCc1ccsn1 1d946cadf83e2a04d99f2f69dd693970 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.119 COCCOCNCc1cnsc1 42783f6074788cc660baf9f698311cc6 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.119 COCCOCNCc1cscn1 ad65164a08c569888bb163f0061ed321 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.119 COCCOCOCc1cc[nH]c1 8b799de80933362f83f8a6b71188d40b [0,1,1,0,0,0|2,0,0]=4 315 B13R1.119 COCCOCOCc1ccsc1 e0d899a4bbe4b5c5d6d4484fbc3e6ba7 [0,1,1,0,0,0|1,0,0]=3 316 B13R1.119 COCCOCOCc1ccsn1 1e5c5b64c93c5f2d15db61ca18a2e488 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.119 COCCOCOCc1cnsc1 6371ee6feb1710cd821a6eb9e9441418 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.119 COCCOCOCc1cscn1 99710133d8c05ebc86ff51206f0b972a [0,1,1,0,0,0|2,0,0]=4 319 B13R1.119 CSCCCCNCc1ccsc1 e66340368bb5a06acacd9efb7cb6ff83 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.119 CSCCCCOCc1ccsc1 6a3d085ebdf832cb60cd28e6777c98a2 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.119 CSCCCNCCc1ccsc1 e54273cb99df3cdf3c2739c67715cb88 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.119 CSCCCOCCc1ccoc1 edfb36ede71e56c0d654ad8890179345 [0,1,1,0,0,0|1,1,0]=4 323 B13R1.119 CSCCCOCCc1ccsc1 0810822b0b64f35c4a6d99299a79953a [0,1,1,0,0,0|1,0,0]=3 324 B13R1.119 CSCCCOCCc1cscn1 7737590a462394d74e9f2e8b607da91e [0,1,1,0,0,0|2,0,0]=4 325 B13R1.119 CSCCNCCCc1ccsc1 3f36de33af3a04064d442fe8fd90a5ea [0,1,1,0,0,0|2,0,0]=4 326 B13R1.119 CSCCOCCCc1ccsc1 23f39203cf305171f204502acc5f1497 [0,1,1,0,0,0|1,0,0]=3 327 B13R1.119 ClCCCCNCCc1ccsc1 6b8407c2aa19a803e163eda5d02a7a3e [0,1,1,0,0,0|2,0,0]=4 328 B13R1.119 FCCCCNCCc1ccsc1 760c33078a9c2f28385baabdaaa59c57 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.119 FCCCCOCCc1ccoc1 8d31d3daaff567d85414d09fc5732283 [0,1,1,0,0,0|1,1,0]=4 330 B13R1.119 FCCCCOCCc1ccsc1 ffd28217a74295c0a9540f245bb95e17 [0,1,1,0,0,0|1,0,0]=3 331 B13R1.119 FCCCCOCCc1cscn1 f090ac108e348bd27f8f2cdd5d5c149e [0,1,1,0,0,0|2,0,0]=4 332 B13R1.119 FCCCOCCCc1ccsc1 8749c2b4e653d46248f70cc74b4c2d83 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.119 N#CCCCOCCc1ccsc1 e715c0c33667da39a68b62f567f0b896 [0,1,1,0,0,0|1,0,1]=4 334 B13R1.119 N#CCCOCCCc1ccsc1 06a2eb111a0f3dae96d7dd166a26a192 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.119 NOCCOCCNc1ccsc1 894352dd992e1622ab61ca2115fda859 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.119 O=CCCCOCCc1ccsc1 c9ebcafb6b8f4249ecc8f89fdbcb9dca [0,1,1,0,0,0|1,0,1]=4 337 B13R1.119 O=CCCOCCCc1ccsc1 34e4899bdc8e585b85d1ae6dd4bbac92 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.119 O=CNCCOCCc1ccsc1 a838de05e969527be28cec812d28f0f2 [0,1,1,0,0,0|0,0,1]=3 339 B13R1.119 O=CNCCOCCc1cscn1 83a09eeaa1df1210375c0ca4670eb794 [0,1,1,0,0,0|1,0,1]=4 340 B13R1.119 O=COCCOCCc1ccsc1 ebfb60579f961b2b4d241dda9e12f685 [0,1,1,0,0,0|1,0,1]=4 341 B13R1.119 OCCCCNCCc1ccsc1 907643e7121813e9502fb39b6e35ebd9 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.119 OCCCOCCNc1ccsc1 5cc5158f6304b1daa0ec7feaf28dcd2c [0,1,1,0,0,0|2,0,0]=4 343 B13R1.119 SCCCCNCCc1ccsc1 43417b5fafdfee27e9999c9a731d394e [0,1,1,0,0,0|2,0,0]=4 344 B13R1.119 SCCCCOCCc1ccsc1 e8c3b5a43fc7e8f4253c126d4dc0bc42 [0,1,1,0,0,0|1,0,0]=3 345 B13R1.119 SCCCCOCCc1cscn1 c938feb239a12bb0925f7c367d190a42 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.119 SCCCOCCCc1ccsc1 ebd89a9a5661bcc92d55d1bad7ad058c [0,1,1,0,0,0|2,0,0]=4 347 B13R1.153 CCCCN(C)CCc1ccsc1 05c63180f52bc0d97423bc1f9187fb4b [0,1,1,0,0,0|2,0,0]=4 348 B13R1.153 COCCN(C)CCc1ccsc1 72b976b99a84c81e034f7b94fc2d822d [0,1,1,0,0,0|2,0,0]=4 349 B13R1.153 CSCCN(C)CCc1ccsc1 ceb37a1009af132ef90178368b92ffe9 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.156 C#CCCOC(C)Cc1ccsc1 8b262555b37c76bc16caa7ed484a7694 [0,1,1,0,0,0|1,0,1]=4 351 B13R1.156 C/C=C/COC(C)Cc1ccsc1 b5e6a23f84fc636af025c161c4ab9d42 [0,1,1,0,0,0|1,0,1]=4 352 B13R1.156 C/C=C\COC(C)Cc1ccsc1 19abc006032d2e97db09b9cec79cbd5e [0,1,1,0,0,0|1,0,1]=4 353 B13R1.156 C=CCCOC(C)Cc1ccsc1 2eb0244c59d714ffed5d719c13f97298 [0,1,1,0,0,0|1,0,1]=4 354 B13R1.156 CC(Cc1ccsc1)OCCC#N b5d662dc2a6b41e391680ea4dace2965 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.156 CC(Cc1ccsc1)OCCC=O c2a4ae27e3b65be121d7bc481cc4f9a5 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.156 CC(Cc1ccsc1)OCCCF bd13d00ef6bd7cad3b5b201624ae0c5f [0,1,1,0,0,0|2,0,0]=4 357 B13R1.156 CC(Cc1ccsc1)OCCCS 610ac829ad25c380ada937480347bb1b [0,1,1,0,0,0|2,0,0]=4 358 B13R1.156 CCCCNC(C)Cc1ccsc1 44d37ce7747874cac7f10aac58c5436b [0,1,1,0,0,0|2,0,0]=4 359 B13R1.156 CCCCOC(C)Cc1ccsc1 d3c92fc901354458f294e91191352408 [0,1,1,0,0,0|1,0,0]=3 360 B13R1.156 CCOCOC(C)Cc1ccsc1 3dcbe9284335036f7bb3d21c555250c1 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.156 COCCNC(C)Cc1ccsc1 55b7eda83031dbe5cb833d82ebd3ef6d [0,1,1,0,0,0|2,0,0]=4 362 B13R1.156 COCCOC(C)Cc1ccsc1 c956a973bb10ab7a17ef9fc7e19309a9 [0,1,1,0,0,0|1,0,0]=3 363 B13R1.156 CSCCNC(C)Cc1ccsc1 9f1a6d19ceddccae6139a68bf0b4e9dc [0,1,1,0,0,0|2,0,0]=4 364 B13R1.156 CSCCOC(C)Cc1ccsc1 8bd20eb9513da72ad82fd0bf8a1f7d16 [0,1,1,0,0,0|1,0,0]=3 365 B13R1.343 C/C(=C/COCCc1ccsc1)/Cl e95b8c1b4c1aa473ca82f33a3cb1e8ab [0,1,1,0,0,0|1,0,1]=4 366 B13R1.343 C/C(=C/COCCc1ccsc1)/I ac4c83e3de693366b8fad629939f5927 [0,1,1,0,0,0|1,0,1]=4 367 B13R1.343 C/C(=C\COCCc1ccsc1)/Cl 0380bddc388d2ce29fd4062c07f3658f [0,1,1,0,0,0|1,0,1]=4 368 B13R1.343 C=C(Br)CCOCCc1ccsc1 aca83259e6075eb7ac22721669baff7f [0,1,1,0,0,0|1,0,1]=4 369 B13R1.343 C=C(C)CCNCCc1ccsc1 5b92a2d046605c727cafba841c8c38d1 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.343 C=C(C)CCOCCc1ccsc1 e8e63979fc3c5916b2784575dc5da6a4 [0,1,1,0,0,0|1,0,0]=3 371 B13R1.343 C=C(C)CCOCCc1cscn1 dbdcb38a6c4dfb3790c00a682f656432 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.343 CC(=CCOCCc1ccsc1)C fbba2731af8ef83367df51b14895be2f [0,1,1,0,0,0|1,0,1]=4 373 B13R1.343 CC(=CCOCCc1ccsc1)Cl 6630a4e19d10b14f77d1788a1409a7c5 [0,1,1,0,0,0|1,0,1]=4 374 B13R1.343 CC(=CCOCCc1ccsc1)I 91f47fed2353bd1ba9cf2b20c4d048e7 [0,1,1,0,0,0|1,0,1]=4 375 B13R1.343 CC(=O)CCNCCc1ccsc1 c2341d4c22348d012241bc1870833836 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.343 CC(=O)CCOCCc1ccoc1 2443247d5a1af41f100d81633483992c [0,1,1,0,0,0|1,1,0]=4 377 B13R1.343 CC(=O)CCOCCc1ccsc1 c845d3835c792ca9009dbee68a116e8c [0,1,1,0,0,0|1,0,0]=3 378 B13R1.343 CC(=O)CCOCCc1cscn1 c172e5ac729d0d6cd2242537e9b64289 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.343 CC(=O)NCOCCc1ccsc1 bc3c81c1ed051808d9bf827024798137 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.343 CC(=O)OCOCCc1ccsc1 5eea4b867627869382f6f7bb7bf5e70d [0,1,1,0,0,0|2,0,0]=4 381 B13R1.343 CC(C)CCNCCc1ccsc1 4faf87f92afbbab486314e62aedec849 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.343 CC(C)CCOCCc1ccoc1 fdf888a83f8a61a3b9391e935c6c6230 [0,1,1,0,0,0|1,1,0]=4 383 B13R1.343 CC(C)CCOCCc1ccsc1 7d377604837625dd1c52987ddf69dd0f [0,1,1,0,0,0|1,0,0]=3 384 B13R1.343 CC(C)CCOCCc1cscn1 d6305aaf9ee4a25d8d8d5983e42c2934 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.343 CC(C)OCOCCc1ccsc1 7b16bb6f0ecc2a81a0909cd943444b70 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.343 CC(O)CCNCCc1ccsc1 6d05e5bc4f0996399e11e3a5c3c738c8 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.343 CN(C)CCCCNc1ccsc1 022c10f944aae8e15a8c6012f8d56756 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.343 CN(C)CCCCOc1ccsc1 6519770cc46a09e88a7e821545886986 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.343 CN(C)CCCNCc1ccsc1 86850e138a4368e18471b154c4d023d9 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.343 CN(C)CCCOCc1ccsc1 0871ca2c0ba3d1ae989d363dcff4050c [0,1,1,0,0,0|2,0,0]=4 391 B13R1.343 CN(C)CCNCCc1ccsc1 a93da5292b9108225ff76bf1771c13c4 [0,1,1,0,0,0|1,0,0]=3 392 B13R1.343 CN(C)CCNCCc1cscn1 b233f2ea4bfca3e3a60cadf9e077c537 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.343 CN(C)CCOCCc1c[nH]cn1 3a1d7b3a29c1199fc094e66d373e287f [0,1,1,0,0,0|2,0,0]=4 394 B13R1.343 CN(C)CCOCCc1cc[nH]n1 40ff5e3debd8af259d9bb990bd9d66ca [0,1,1,0,0,0|2,0,0]=4 395 B13R1.343 CN(C)CCOCCc1ccc[nH]1 105daa7a237374dec42fb864d9db9f0b [0,1,1,0,0,0|2,0,0]=4 396 B13R1.343 CN(C)CCOCCc1ccco1 749c58567060296c6709302a9bd4ac65 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.343 CN(C)CCOCCc1cccs1 70960331731defea29620cc10dc676bf [0,1,1,0,0,0|2,0,0]=4 398 B13R1.343 CN(C)CCOCCc1ccoc1 2360bd54049d3e3a2cbb593ca24df7dc [0,1,1,0,0,0|0,1,0]=3 399 B13R1.343 CN(C)CCOCCc1ccon1 5ddfb8e96b61affe797bd25068fe420b [0,1,1,0,0,0|1,1,0]=4 400 B13R1.343 CN(C)CCOCCc1ccsc1 7000e7af33e0e6d87d43578bba76473a [0,1,1,0,0,0|0,0,0]=2 401 B13R1.343 CN(C)CCOCCc1cn[nH]c1 c752c2af0723ad886f8c1e96ad36770d [0,1,1,0,0,0|2,0,0]=4 402 B13R1.343 CN(C)CCOCCc1cnoc1 c3f0578ff218c3b3cb4c3b8f0da0fb6d [0,1,1,0,0,0|1,1,0]=4 403 B13R1.343 CN(C)CCOCCc1cscn1 6b35553051e28e086d8f7d1d16834fc8 [0,1,1,0,0,0|1,0,0]=3 404 B13R1.343 CN(C)CCOCCn1cccc1 108c292cf818809e995d578f2afee7f5 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.343 CN(C)CCOCCn1ccnc1 85b7d6630e1674e4a85ab7ceb9827eb7 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.343 CN(C)COCCCc1ccsc1 dedfb37f77d6f9cc3b6cafb9765b5d76 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.343 CS(=O)CCNCCc1ccsc1 9a67b8f9fbc9660f7775980bf64907b7 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.343 CS(=O)CCOCCc1ccoc1 a866222eee0ca099f53d5830168db1df [0,1,1,0,0,0|1,1,0]=4 409 B13R1.343 CS(=O)CCOCCc1ccsc1 0155cfb6d9772822c3a0c13256c68d72 [0,1,1,0,0,0|1,0,0]=3 410 B13R1.343 CS(=O)CCOCCc1cscn1 53c4745b39bf366956bc93499d89a861 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.343 C[C@@H](O)CCNCCc1ccsc1 03e4bb2ebb0ff478d12e04748bb5ac82 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.343 C[C@H](O)CCNCCc1ccsc1 bdc492628fd202fc6668e4846332e902 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.343 FC(F)CCOCCc1ccsc1 9465b8a14667d9a9c033e1298725d76d [0,1,1,0,0,0|2,0,0]=4 414 B13R1.343 NC(=O)CCOCCc1ccsc1 27639a9f208032daef59d4b343fad541 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.343 O=C(O)CCOCCc1ccsc1 411bbb49ea88d2213cd57de8519c5f24 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.343 O=[N+]([O-])CCOCCc1ccsc1 c97f808ce20ee4c52bc6bd7df44b37cf [0,1,1,0,0,0|1,0,1]=4 417 B13R1.404 C#CCC(C)OCCc1ccsc1 465a0333038dca9bfad7cc2d468ea9ca [0,1,1,0,0,0|1,0,1]=4 418 B13R1.404 C/C=C/C(C)OCCc1ccsc1 5b4771d7ef282764ccd076aaf561d108 [0,1,1,0,0,0|1,0,1]=4 419 B13R1.404 C=CCC(C)OCCc1ccsc1 243d07c48e51936b3964da8be120b512 [0,1,1,0,0,0|1,0,1]=4 420 B13R1.404 C=CC[C@@H](C)OCCc1ccsc1 363dfbf1d8ef21c9f146dbdb692d1691 [0,1,1,0,0,0|1,0,1]=4 421 B13R1.404 C=CC[C@H](C)OCCc1ccsc1 55a5cb15fb8952db0333765f464d56c8 [0,1,1,0,0,0|1,0,1]=4 422 B13R1.404 CC#CC(C)OCCc1ccsc1 23a403bc6ee5657363f9547e8c6bd98f [0,1,1,0,0,0|1,0,1]=4 423 B13R1.404 CC(CC#N)OCCc1ccsc1 e318de4f5348468cd55df6beed00ecaa [0,1,1,0,0,0|2,0,0]=4 424 B13R1.404 CC=CC(C)OCCc1ccsc1 b2b381a6100652d6e409a9516a17434b [0,1,1,0,0,0|1,0,1]=4 425 B13R1.404 CCCC(=S)OCCc1ccsc1 954dfdb8b4cdd297856b4ae586153229 [0,1,1,0,0,0|1,0,1]=4 426 B13R1.404 CCCC(C)NCCc1ccsc1 d8176155af7359ee3cbe3f0cf4353381 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.404 CCCC(C)OCCc1ccsc1 861bdfbc9b98f632147ed288f1b8c018 [0,1,1,0,0,0|1,0,0]=3 428 B13R1.404 CCCC(C)OCCc1cscn1 65a2500d76f3f432721110e28c08de60 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.404 CCC[C@@H](C)OCCc1ccsc1 4ded285345413183cf3927f452a32a76 [0,1,1,0,0,0|1,0,0]=3 430 B13R1.404 CCC[C@@H](C)OCCc1cscn1 c07ccc790ea5c6560d7296ce261f630d [0,1,1,0,0,0|2,0,0]=4 431 B13R1.404 CCC[C@H](C)NCCc1ccsc1 d349626372eee63ce89fcffeee1698b1 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.404 CCC[C@H](C)OCCc1ccsc1 51eb45a11fcf9263b7efaadc7288a8f6 [0,1,1,0,0,0|1,0,0]=3 433 B13R1.404 CCC[C@H](C)OCCc1cscn1 fa3ab61776febf286d4fa1c715e19416 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.404 COCC(C)NCCc1ccsc1 3a4cbe46f3bcd068a239f07987386c56 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.404 COCC(C)OCCc1ccsc1 9ef77b1b45f3acf36659a40072bedc64 [0,1,1,0,0,0|1,0,0]=3 436 B13R1.404 COCC(C)OCCc1cscn1 80fc9665bb8addd865041c08d9da293e [0,1,1,0,0,0|2,0,0]=4 437 B13R1.404 COC[C@@H](C)NCCc1ccsc1 0d7dd1f1527517b77f630bf63e7e31c0 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.404 COC[C@@H](C)OCCc1ccsc1 d2d273afcea0855d3f2c03d652297c88 [0,1,1,0,0,0|1,0,0]=3 439 B13R1.404 COC[C@@H](C)OCCc1cscn1 0c16292f3899479d966b589e43bee99c [0,1,1,0,0,0|2,0,0]=4 440 B13R1.404 COC[C@H](C)NCCc1ccsc1 a8c87f876825c527bb85495bf6e348f6 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.404 COC[C@H](C)OCCc1ccsc1 cd7f74eb8247cb531716db42e34f7d77 [0,1,1,0,0,0|1,0,0]=3 442 B13R1.404 COC[C@H](C)OCCc1cscn1 f421aa639664e98791983ef33b0290d1 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.404 CSCC(C)OCCc1ccsc1 c597fdc54f6c325fede22ba8941e42b0 [0,1,1,0,0,0|1,0,0]=3 444 B13R1.404 CSCC(C)OCCc1cscn1 bb43cdd1e5d96053c5028c078d9ec99d [0,1,1,0,0,0|2,0,0]=4 445 B13R1.404 C[C@@H](CC#N)OCCc1ccsc1 0c130b42b59ebf16b086d8bcca1a0006 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.404 C[C@H](CC#N)OCCc1ccsc1 28e62c3d4a538ef24c7ebacc85403502 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.536 BrCC(Br)COCCc1ccsc1 7640c1adf453c49b6d15496284880743 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.536 C=C(CC)COCCc1ccsc1 7417591951099a5f7559feb7df3fd9b2 [0,1,1,0,0,0|1,0,1]=4 449 B13R1.536 C=C(COCCc1ccsc1)OC 97ab2862bb43e19f78b1e07c65e48420 [0,1,1,0,0,0|1,0,1]=4 450 B13R1.536 C=CC(C)COCCc1ccsc1 bd56dda1ad46a1900ef5a65eb7248fa9 [0,1,1,0,0,0|1,0,1]=4 451 B13R1.536 CC(C#N)COCCc1ccsc1 eaf4f9b5af3a8fe99218ef7b2e21999c [0,1,1,0,0,0|2,0,0]=4 452 B13R1.536 CCC(=O)COCCc1ccsc1 81631605d619b8eadc7413bd67f878bf [0,1,1,0,0,0|1,0,1]=4 453 B13R1.536 CCC(C)CNCCc1ccsc1 9112843e7d96ec167378bc8c958ad442 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.536 CCC(C)COCCc1ccsc1 032ccc441f45e8be84dbea41b5575283 [0,1,1,0,0,0|1,0,0]=3 455 B13R1.536 CCC(C)COCCc1cscn1 e64b6c2f6c77b544d5cd5ee4d094ffd1 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.536 CCC(O)CNCCc1ccsc1 94c6683b403d96cde4e58f4742980c23 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.536 CC[C@@H](C)CNCCc1ccsc1 729673338e9a63b8a9583fafea48d6aa [0,1,1,0,0,0|2,0,0]=4 458 B13R1.536 CC[C@@H](C)COCCc1ccsc1 2945c7de8bd308b0385e8963c7558f25 [0,1,1,0,0,0|1,0,0]=3 459 B13R1.536 CC[C@@H](C)COCCc1cscn1 db95d932d7a86ff928a3f557b557db1b [0,1,1,0,0,0|2,0,0]=4 460 B13R1.536 CC[C@@H](O)CNCCc1ccsc1 ad45a4c0f5c960180a2343807d2d3b2c [0,1,1,0,0,0|2,0,0]=4 461 B13R1.536 CC[C@H](C)CNCCc1ccsc1 de603698d0e165660ad75887d88bd075 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.536 CC[C@H](C)COCCc1ccsc1 c8c7c364b06cc8cca15612f3af7ecd10 [0,1,1,0,0,0|1,0,0]=3 463 B13R1.536 CC[C@H](C)COCCc1cscn1 a1d664ecb4c7e51dd75d2d38651f0b83 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.536 CNC(=O)CNCCc1ccsc1 0396253d095ee139f6bffa66c7f1c5ac [0,1,1,0,0,0|1,0,1]=4 465 B13R1.536 CNC(=O)COCCc1ccoc1 72b6999f335e136f7cffab737084809b [0,1,1,0,0,0|0,1,1]=4 466 B13R1.536 CNC(=O)COCCc1ccsc1 71b317299e074374a7c8f058b523759e [0,1,1,0,0,0|0,0,1]=3 467 B13R1.536 CNC(=O)COCCc1cscn1 81bba9cb9c58339f9554c8b522329558 [0,1,1,0,0,0|1,0,1]=4 468 B13R1.536 COC(=O)COCCc1ccsc1 e86cf7f556a1748b95180a446d49bd62 [0,1,1,0,0,0|1,0,1]=4 469 B13R1.536 COC(C)CNCCc1ccsc1 0cb273d23de1b1138d9263ec62b2782e [0,1,1,0,0,0|2,0,0]=4 470 B13R1.536 COC(C)COCCc1ccoc1 9a7cbfa5b9ff1ae83b95bf71c65f8e57 [0,1,1,0,0,0|1,1,0]=4 471 B13R1.536 COC(C)COCCc1ccsc1 58b98e25ff560e87fc11e4bd3dc33d41 [0,1,1,0,0,0|1,0,0]=3 472 B13R1.536 COC(C)COCCc1cscn1 0010c5b974ec80cb34b8b1591848926e [0,1,1,0,0,0|2,0,0]=4 473 B13R1.536 CO[C@@H](C)CNCCc1ccsc1 b46d1a99ed28e87fd549463b109486c2 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.536 CO[C@@H](C)COCCc1ccoc1 186a5235388be8769583a41278a53c7e [0,1,1,0,0,0|1,1,0]=4 475 B13R1.536 CO[C@@H](C)COCCc1ccsc1 39fae20bb639d0fc96c92f84fea85090 [0,1,1,0,0,0|1,0,0]=3 476 B13R1.536 CO[C@@H](C)COCCc1cscn1 7f7f3d6aae09281b8bee62d52f37546b [0,1,1,0,0,0|2,0,0]=4 477 B13R1.536 CO[C@H](C)CNCCc1ccsc1 349095074a0311880406b2a66e388c7c [0,1,1,0,0,0|2,0,0]=4 478 B13R1.536 CO[C@H](C)COCCc1ccoc1 890b5e9d5a21ad7a18d2a76cab27b522 [0,1,1,0,0,0|1,1,0]=4 479 B13R1.536 CO[C@H](C)COCCc1ccsc1 51a6a087afc3f6ecac9a0ede5018a1b2 [0,1,1,0,0,0|1,0,0]=3 480 B13R1.536 CO[C@H](C)COCCc1cscn1 7d0d9dca29ddb4a89d996fde2e3cf3ce [0,1,1,0,0,0|2,0,0]=4 481 B13R1.536 ClCC(Cl)COCCc1ccsc1 b4c42ec274e64bb7edb5db93cf4d7147 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.536 OCC(O)COCCc1ccsc1 12377dbad0146a5013c59325e70ee09a [0,1,1,0,0,0|2,0,0]=4 483 B13R1.536 OC[C@@H](O)COCCc1ccsc1 1a5766333404558b2b9c01936e768726 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.536 OC[C@H](O)COCCc1ccsc1 d61dddc72dacb929d962cf3d172f3e56 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.536 SCC(S)COCCc1ccsc1 3381fad6d73a2b77d6459a7b7a393b33 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.654 CCCCOCCc1ncsc1C c6d8de8232e78601cf8bcb03e5267f9c [0,1,1,0,0,0|2,0,0]=4 487 B13R1.654 CCCCOCNc1ccsc1C 309d5b4b17de3f88779e2a4ceb474a63 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.654 CCCCOCNc1cscc1C 3b45079a7e6b139e4e402fbb967559fa [0,1,1,0,0,0|2,0,0]=4 489 B13R1.654 COCCNCCc1ccsc1Br d7a37dfc5fbfdc01b7168bcfd9a4e7d1 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.654 COCCOCCc1ncsc1C d80a3ba583c3015345a41d12549d6ebb [0,1,1,0,0,0|2,0,0]=4 491 B13R1.654 COCCOCNc1ccsc1C d7655bc2c6813ed79aa0336016d03085 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.654 COCCOCNc1cscc1C ab5236a30fd98f737dc3d74b210683fc [0,1,1,0,0,0|2,0,0]=4 493 B13R1.654 CSCCNCCc1ccsc1Br a6974029d1dae2fc1403fe9fe3d77b46 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.654 CSCCOCCc1ncsc1C e27e9e0e6b0906ffc4be5fbaa94239a4 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.170 C#CCOC(CCC)c1cccs1 0985b40e6b035096f533c8775f1a9360 [0,1,1,0,0,0|1,0,1]=4 496 B13R1.170 C=CCOC(CCC)c1cccs1 8fd27da9f3e9480f079321cdbe573c67 [0,1,1,0,0,0|1,0,1]=4 497 B13R1.170 CCCC(NCCF)c1cccs1 32a8373b5f0d17538c1df11e882020eb [0,1,1,0,0,0|2,0,0]=4 498 B13R1.170 CCCC(NCCO)c1cccs1 e7d76de8c00d0e81ef1f3a98df531a0c [0,1,1,0,0,0|2,0,0]=4 499 B13R1.170 CCCC(NCCS)c1cccs1 5999fe2ace2ee76e6532fb9eff2ea1b8 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.170 CCCC(NCOC)c1cccs1 335c155b8db48a700c020c958b9d833c [0,1,1,0,0,0|2,0,0]=4 501 B13R1.170 CCCC(NCSC)c1cccs1 7a40d9efba2ca99c31d7429397007410 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.170 CCCC(OCC#N)c1cccs1 8690c2699052cc7319d86b4714e75bd1 [0,1,1,0,0,0|1,0,1]=4 503 B13R1.170 CCCC(OCC=O)c1cccs1 02f316127adf9e70b4fdee9e876defad [0,1,1,0,0,0|1,0,1]=4 504 B13R1.170 CCCC(OCCF)c1cccs1 144d4ced92eab58733d26c2032be6dbb [0,1,1,0,0,0|1,0,0]=3 505 B13R1.170 CCCC(OCCS)c1cccs1 667aa4e4f9949c864de9958b280ef8f0 [0,1,1,0,0,0|1,0,0]=3 506 B13R1.170 CCCC(OCOC)c1cccs1 80defbd5970b8e3c6687b3e376f61e1f [0,1,1,0,0,0|1,0,0]=3 507 B13R1.170 CCCC(OCSC)c1cccs1 ece0b4a5e62d35d1f1403ed806c827dc [0,1,1,0,0,0|1,0,0]=3 508 B13R1.170 CCCNC(CCC)c1cccs1 e11fb1368cf6f963f87fdc8916c135c2 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.170 CCCOC(CC#N)c1cccs1 0326708e94c7c71b05b71403b6e5470a [0,1,1,0,0,0|2,0,0]=4 510 B13R1.170 CCCOC(CCC)c1cccs1 7272d304044cd5fe2143dac07493a9d2 [0,1,1,0,0,0|1,0,0]=3 511 B13R1.170 COCOC(CC#N)c1cccs1 08e0792abd3c554f9484b98fc5c81357 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.170 CSCOC(CC#N)c1cccs1 60fc5811f46cc2598b93676048e8ad62 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.170 N#CCC(OCCF)c1cccs1 d86dc90ac049252ef99b186b5b6574b7 [0,1,1,0,0,0|2,0,0]=4 514 B13R1.170 N#CCC(OCCS)c1cccs1 bc7b2e90228ad0b493d5d51bfdb31569 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.397 CCCC(OCC)c1ccc(s1)Br 95bc239a9967ebc7e6a1d3eae0f82590 [0,1,1,0,0,0|1,0,0]=3 516 B13R1.397 CCCC(OCF)c1ccc(s1)Br 0713dca9fd42943215ec0cd4d74d6cc8 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.403 CC(C)OC(CC#N)c1cccs1 09edfc6d6979182b21191e58ae53bd32 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.403 CCCC(NC(C)C)c1cccs1 4723feaa7ca43659649a067d20512d6e [0,1,1,0,0,0|2,0,0]=4 519 B13R1.403 CCCC(OC(C)C)c1cccs1 0a1f743c438d25a2c117809e0c8f0a8d [0,1,1,0,0,0|1,0,0]=3 520 B15R2.16416 CN(C)CN1CCCc2ccsc2C1 521808f65a1994a8a3937c927776b867 [0,1,0,0,0,1|2,0,0]=4 521 B15R2.18471 CCNCC1OCCc2c1cccc2 e69272bea8bb3a90be920113a27ab907 [0,1,0,0,0,1|1,0,0]=3 522 B15R2.18471 FCNCC1OCCc2c1cccc2 ddd2198a2cb5ea8fae42551fcb122226 [0,1,0,0,0,1|1,0,0]=3 523 B15R2.18471 O=CNCC1OCCc2c1cccc2 e897f107951ac61c2dd62ba79dbe066c [0,1,0,0,0,1|1,0,1]=4 524 B15R2.18471 OCNCC1OCCc2c1cccc2 f868d278a020444a8800a8663c6d983e [0,1,0,0,0,1|1,0,0]=3 525 B13R2.64 c1cc(cs1)NC2CCCCO2 a3745f1a5e7294f6d23413f4b5f44f3f [0,0,1,1,0,0|2,0,0]=4 526 B13R2.64 c1cc(cs1)OC2CCCCO2 1dc5486949df5aeca21880866a90e6db [0,0,1,1,0,0|2,0,0]=4 527 B13R2.183 c1cc(cs1)CCN2CCSC2 0e5d5c3ef7025053790685bd37244bc5 [0,0,1,1,0,0|2,0,0]=4 528 B13R2.196 CC1CC1NCCc2ccsc2 19fed5cf2740d809e82aed8ef290ad77 [0,0,1,1,0,0|2,0,0]=4 529 B13R2.2380 c1cc(co1)CCOCC2CC2 de1e74f8071f136eed3324184e0f6172 [0,0,1,1,0,0|1,1,0]=4 530 B13R2.2380 c1cc(cs1)CCNCC2CC2 8b2379d789ae1b6db0fd11c834b5c860 [0,0,1,1,0,0|2,0,0]=4 531 B13R2.2380 c1cc(cs1)CCOCC2CC2 7b4ab38eacbf044c9815577910887289 [0,0,1,1,0,0|1,0,0]=3 532 B13R2.2380 c1nc(cs1)CCOCC2CC2 f219e29aab812b33a2cf2d577c8d11df [0,0,1,1,0,0|2,0,0]=4 533 B13R2.2381 c1cc(co1)CCOC2CCC2 f9ebacc97f6ca2dab008f186919df3a8 [0,0,1,1,0,0|1,1,0]=4 534 B13R2.2381 c1cc(cs1)CCNC2CCC2 19ef84ff879302899af5e6bf0f75a060 [0,0,1,1,0,0|2,0,0]=4 535 B13R2.2381 c1cc(cs1)CCNC2COC2 71adf39d7faf3482908980de0140be68 [0,0,1,1,0,0|2,0,0]=4 536 B13R2.2381 c1cc(cs1)CCOC2CCC2 81b83f1fc283e46ba27fefe07cbc577a [0,0,1,1,0,0|1,0,0]=3 537 B13R2.2381 c1cc(cs1)CCOC2COC2 b23850f98466d1f49bbcf4296654b8ed [0,0,1,1,0,0|1,0,0]=3 538 B13R2.2381 c1cc(cs1)CCOC2CSC2 ca32bfd06fe3ceab820ca94d063fc4f7 [0,0,1,1,0,0|1,0,0]=3 539 B13R2.2381 c1nc(cs1)CCOC2CCC2 9a2a997fea52e572384d19a0afd6130d [0,0,1,1,0,0|2,0,0]=4 540 B13R2.2381 c1nc(cs1)CCOC2COC2 3302684858fa4e3e2b66520c8c72c04c [0,0,1,1,0,0|2,0,0]=4 541 B13R2.2381 c1nc(cs1)CCOC2CSC2 860d7d2e0fd80b6d7180b7926625945c [0,0,1,1,0,0|2,0,0]=4 542 B13R2.777 CCNC(c1cccs1)C2CC2 aa4cc998abb62ce7d3cc0cf2479cd1c1 [0,0,1,1,0,0|2,0,0]=4 543 B13R1.28 CCCCOCCc1ccccc1 9579249358ed59a0332ebffafb432191 [0,0,1,0,0,1|2,0,0]=4 544 B13R1.28 CCCCOCCc1ccccn1 f5bb843c066a5a457e856626fef0f0d8 [0,0,1,0,0,1|2,0,0]=4 545 B13R1.28 CCCCOCCc1cccnc1 9ae2a1a7b876b5913444bc16d2e2b001 [0,0,1,0,0,1|2,0,0]=4 546 B13R1.28 CCCCOCCc1ccncc1 fbfcf7d6d3394c78234724482a6fbd17 [0,0,1,0,0,1|2,0,0]=4 547 B13R1.28 CCCCOCCc1ccncn1 17180b599ae1252c4f6fafeb5b1b444b [0,0,1,0,0,1|2,0,0]=4 548 B13R1.28 CCCCOCCc1cnccn1 e2323fc4c0b3b6733bf22db19e588be2 [0,0,1,0,0,1|2,0,0]=4 549 B13R1.28 CCCCOCCc1cncnc1 b20ffa85cc9107db3100665c921aaf41 [0,0,1,0,0,1|2,0,0]=4 550 B13R1.28 COCCOCCc1ccccc1 ff280801e717a5a4b5f2fea2891e4059 [0,0,1,0,0,1|2,0,0]=4 551 B13R1.28 COCCOCCc1ccccn1 a1bfd613a1a5250ef9f05ea3f6721929 [0,0,1,0,0,1|2,0,0]=4 552 B13R1.28 COCCOCCc1cccnc1 0d447fd80ca04e42c31eae7badf0c56d [0,0,1,0,0,1|2,0,0]=4 553 B13R1.28 COCCOCCc1ccncc1 f08adba63b63755b7099f30db8fda45d [0,0,1,0,0,1|2,0,0]=4 554 B13R1.28 COCCOCCc1ccncn1 8043bd35275dc9c393423ab8966c44b8 [0,0,1,0,0,1|2,0,0]=4 555 B13R1.28 COCCOCCc1cnccn1 3a691c665ca20fd12edad1608256dbbf [0,0,1,0,0,1|2,0,0]=4 556 B13R1.28 COCCOCCc1cncnc1 91286df0adfead405ebc57394266a930 [0,0,1,0,0,1|2,0,0]=4 557 B13R1.28 CSCCOCCc1ccccc1 a603d09f08b3e7c6ef1792818cc41cff [0,0,1,0,0,1|2,0,0]=4 558 B13R1.28 CSCCOCCc1ccccn1 1856fb47a23823a5e409af168293c7a7 [0,0,1,0,0,1|2,0,0]=4 559 B13R1.28 CSCCOCCc1cccnc1 1b90d2d6f527cea5046d2386ac7c4f8e [0,0,1,0,0,1|2,0,0]=4 560 B13R1.28 CSCCOCCc1ccncc1 1515950dd87eb1d6e8b829b3487f2f03 [0,0,1,0,0,1|2,0,0]=4 561 B13R1.28 CSCCOCCc1ccncn1 6d503a90978877f203258289172974ba [0,0,1,0,0,1|2,0,0]=4 562 B13R1.28 CSCCOCCc1cnccn1 b07ecefd295514c854ab58934d039436 [0,0,1,0,0,1|2,0,0]=4 563 B13R1.28 CSCCOCCc1cncnc1 92420cd3e83713767ec7c05d13f44e31 [0,0,1,0,0,1|2,0,0]=4 564 B13R1.389 CCCC(CCC)Nc1cccs1 bef4fbfc4d45b223ec0e168981e76705 [0,0,1,0,0,1|2,0,0]=4 565 B13R1.398 CCCC(OCC)c1ccccc1 1cc1a4cc3f334b214c9cb547ca17caa9 [0,0,1,0,0,1|2,0,0]=4 566 B13R1.398 CCC[C@@H](OCC)c1ccccc1 38fac7afa3522c365d281f27829e3da9 [0,0,1,0,0,1|2,0,0]=4 567 B13R1.398 CCC[C@H](OCC)c1ccccc1 c3efcc6ce5a488ec88cbb48dde6ce64c [0,0,1,0,0,1|2,0,0]=4 568 B13R1.443 CCc1ccsc1NC(C)COC 98b17c177a88d6cdf71dc99b552d8b7d [0,0,1,0,0,1|2,0,0]=4 569 B13R1.443 CCc1ccsc1N[C@@H](C)COC 022e167b11abdc12a50731ef0a526c55 [0,0,1,0,0,1|2,0,0]=4 570 B13R1.443 CCc1ccsc1N[C@H](C)COC 2769c0bbaca290709ef6527544b717f2 [0,0,1,0,0,1|2,0,0]=4