0 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,0,0,0,0,0|1,0,2]=3 12 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,0,0,0,0,0|1,1,2]=4 13 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,0,0,0,0,0|1,1,2]=4 16 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,0,0,0,0,0|1,0,2]=3 21 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,0,0,0,0,0|1,1,2]=4 22 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,0,0,0,0,0|1,1,2]=4 25 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,0,0,0,0,0|2,0,2]=4 27 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|2,0,2]=4 29 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,0,0,0,0,0|1,0,3]=4 30 B7R0.1 CC#CCNCCO 2843afe4d746cf0fa7225c6f04363618 [0,0,0,0,0,0|1,0,3]=4 31 B7R0.1 CC/C=C/CNC#N f23fe182dd452d354a78f38e4f70e513 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,0,0,0,0,0|2,0,0]=2 35 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,0,0,0,0,0|1,0,2]=3 39 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,0,0,0,0,0|1,1,2]=4 40 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,0,0,0,0,0|1,1,2]=4 43 B7R0.1 CCC#CCOCC 2380cee045d437f419c16dee1b838b64 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.1 CCC#CCOCF 6df71f2cb6d7ef4d5014d348e265b820 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,0,0,0,0,0|2,0,2]=4 47 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,0,0,0,0,0|1,0,2]=3 55 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,0,0,0,0,0|1,1,2]=4 56 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,0,0,0,0,0|2,0,1]=3 59 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,0,0,0,0,0|1,1,2]=4 61 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,0,0,0,0,0|3,0,1]=4 62 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,0,0,0,0|1,0,3]=4 64 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,0,0,0,0,0|1,0,3]=4 66 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,0,0,0,0,0|2,0,1]=3 67 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,0,0,0,0,0|2,0,1]=3 68 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,0,0,0,0,0|1,0,1]=2 69 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,0,0,0,0,0|1,1,1]=3 70 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,0,0,0,0,0|3,0,1]=4 72 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,0,0,0,0,0|2,0,2]=4 75 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,0,0,0,0,0|1,0,3]=4 76 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,0,0,0,0,0|1,1,1]=3 78 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 CCNCC#CCO 2a230a707d45398877d952a6edd37a82 [0,0,0,0,0,0|1,0,3]=4 82 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,0,0,0,0,0|2,0,2]=4 83 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,0,0,0,0,0|2,0,1]=3 84 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,0,0,0,0,0|1,0,1]=2 85 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,0,0,0,0,0|1,1,1]=3 86 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,0,0,0,0,0|3,0,1]=4 88 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,0,0,0,0,0|2,0,2]=4 92 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|1,0,3]=4 93 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,0,0,0,0,0|2,0,1]=3 94 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,0,0,0,0,0|1,1,1]=3 95 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,0,0,0,0,0|3,0,1]=4 96 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,0,0,0,0,0|2,0,1]=3 99 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,0,0,0,0,0|3,0,1]=4 100 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,0,0,0,0,0|3,0,1]=4 102 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,0,0,0,0,0|3,0,1]=4 103 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,0,0,0,0,0|2,0,1]=3 106 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,0,0,0,0,0|2,1,1]=4 107 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,0,0,0,0,0|2,1,1]=4 108 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,0,0,0,0,0|2,0,1]=3 110 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,0,0,0,0,0|3,0,1]=4 111 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,0,0,0,0,0|2,0,2]=4 112 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,0,0,0,0,0|2,0,2]=4 113 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,0,0,0,0,0|3,0,1]=4 114 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,0,0,0,0,0|2,0,1]=3 115 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,0,0,0,0,0|2,1,1]=4 117 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,0,0,0,0,0|2,0,2]=4 118 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,0,0,0,0,0|2,0,2]=4 119 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,0,0,0,0,0|3,0,1]=4 120 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,0,0,0,0,0|2,0,1]=3 121 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,0,0,0,0,0|3,0,1]=4 122 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,0,0,0,0,0|2,1,1]=4 123 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,0,0,0,0,0|3,0,1]=4 127 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,0,0,0,0,0|3,0,1]=4 130 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,0,0,0,0,0|2,1,1]=4 132 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,0,0,0,0,0|2,1,1]=4 133 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,0,0,0,0,0|2,1,1]=4 135 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,0,0,0,0,0|2,1,1]=4 136 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,0,0,0,0,0|2,0,2]=4 137 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,0,0,0,0,0|2,0,2]=4 138 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,0,0,0,0,0|2,0,2]=4 139 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,0,0,0,0,0|2,0,2]=4 141 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,0,0,0,0,0|2,0,2]=4 142 B7R0.1 OCC#CCNCO 38cf5d81a397c328b8b6b8c290d3dc06 [0,0,0,0,0,0|2,0,2]=4 143 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,0,0,0,0,0|2,0,1]=3 144 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,0,0,0,0,0|2,0,1]=3 145 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,0,0,0,0,0|2,0,1]=3 146 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,0,0,0,0,0|2,0,1]=3 147 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,0,0,0,0,0|2,0,1]=3 148 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,0,0,0,0,0|2,0,1]=3 150 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,0,0,0,0,0|2,0,2]=4 151 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,0,0,0,0,0|2,0,2]=4 152 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,0,0,0,0,0|2,0,2]=4 153 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,0,0,0,0,0|2,0,2]=4 154 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,0,0,0,0,0|2,0,2]=4 156 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,0,0,0,0,0|2,0,2]=4 157 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,0,0,0,0,0|2,1,1]=4 158 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,0,0,0,0,0|2,1,1]=4 159 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,0,0,0,0,0|2,1,1]=4 160 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,0,0,0,0,0|2,1,1]=4 161 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,0,0,0,0,0|3,0,1]=4 162 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.6 C/C=C/CNC#N fe5c02a50a49ed00bc3809aef9ddcb4b [1,0,0,0,0,0|2,0,1]=4 165 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.6 C/C=C\CNC#N a10d427f3ef904bfd6ef220e239689b7 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,0,0,0,0,0|2,0,0]=3 170 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|2,0,1]=4 171 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|1,0,2]=4 172 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|2,0,1]=4 173 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|1,0,2]=4 174 B6R0.6 CC#CCNCO 34948e879985eaf79856b03117770558 [1,0,0,0,0,0|1,0,2]=4 175 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,0,0,0,0,0|1,0,2]=4 176 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|2,0,0]=3 177 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,0,0,0,0,0|1,0,0]=2 179 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|3,0,0]=4 182 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|2,0,1]=4 184 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|1,0,1]=3 186 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|2,0,1]=4 188 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|1,0,1]=3 189 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|1,0,1]=3 192 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|1,1,1]=4 193 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|2,0,1]=4 194 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|1,0,1]=3 196 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|1,1,1]=4 198 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|2,0,1]=4 200 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|1,0,0]=2 203 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|1,0,2]=4 210 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|2,0,0]=3 211 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|1,1,0]=3 212 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|2,0,1]=4 214 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,0,0,0,0,0|2,0,1]=4 215 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,0,0,0,0,0|2,0,1]=4 218 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [1,0,0,0,0,0|3,0,0]=4 221 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,0,0,0,0,0|2,1,0]=4 223 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,0,0,0,0|3,0,0]=4 226 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,0,0,0,0|2,0,0]=3 227 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [1,0,0,0,0,0|2,0,0]=3 228 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [1,0,0,0,0,0|2,0,0]=3 229 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,0,0,0,0,0|2,0,1]=4 231 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,0,0,0,0,0|2,0,1]=4 232 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,0,0,0,0|2,0,1]=4 234 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,1,0,0,0,0|2,0,1]=4 236 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,1,0,0,0,0|2,0,1]=4 239 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,1,0,0,0,0|1,0,1]=3 240 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,1,0,0,0,0|1,1,1]=4 241 B8R0.1 C/C=C/CN(C)CCO 42c3b6faec9960c36a879d013004e77f [0,1,0,0,0,0|1,0,2]=4 242 B8R0.1 C/C=C\CN(C)CCO fb53deedd56c2eb2eab09a348d1b1a65 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.1 CC#CC(=O)NCCO f885362aa6b004ac92e1add94f791e9e [0,1,0,0,0,0|1,0,2]=4 244 B8R0.1 CC(CCCO)NCF b241aebd82c44bc910db1b371b5b76bf [0,1,0,0,0,0|2,0,1]=4 245 B8R0.1 CC(CCCO)NCO 409c6d583f7d914d396566d61e0bf62f [0,1,0,0,0,0|2,0,1]=4 246 B8R0.1 CC(CCO)CNCF c3decab050bcf8b829d230dbfdc8cb9c [0,1,0,0,0,0|2,0,1]=4 247 B8R0.1 CC(CCO)CNCO 54a9f5ea99ff6dabd8f90f35e8fcdb0d [0,1,0,0,0,0|2,0,1]=4 248 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,1,0,0,0,0|2,0,1]=4 252 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,1,0,0,0,0|2,0,1]=4 255 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,1,0,0,0,0|1,0,1]=3 257 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,1,0,0,0,0|1,1,1]=4 258 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,1,0,0,0,0|2,0,1]=4 259 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,1,0,0,0,0|1,1,1]=4 260 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,0,0,0,0|2,0,1]=4 261 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,1,0,0,0,0|1,0,2]=4 262 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,1,0,0,0,0|1,0,2]=4 264 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,1,0,0,0,0|1,0,2]=4 266 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,1,0,0,0,0|1,0,2]=4 269 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.1 CCCN(C)CCCF 59925d2d70ed2cd32e04f065de645944 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,1,0,0,0,0|1,1,1]=4 276 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,0,0,0,0|1,0,2]=4 278 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,1,0,0,0,0|1,0,1]=3 280 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,1,0,0,0,0|1,0,1]=3 282 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,1,0,0,0,0|1,0,1]=3 283 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,0,0,0,0|2,0,1]=4 284 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,0,0,0,0|2,0,1]=4 285 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,0,0,0,0|2,0,1]=4 286 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,0,0,0,0|2,0,1]=4 287 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,1,0,0,0,0|1,0,2]=4 288 B8R0.1 CCNC(=O)CNCF 00b80b6827b81d8895e54234ac75d43c [0,1,0,0,0,0|3,0,0]=4 289 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,0,0,0,0|3,0,0]=4 291 B8R0.1 CCNC(=O)COCF 07accf9dfadaaccc536f5c34a66ac1b1 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,1,0,0,0,0|1,0,1]=3 293 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,0,0,0,0|3,0,0]=4 294 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,0,0,0,0|3,0,0]=4 295 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,1,0,0,0,0|1,0,1]=3 296 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,1,0,0,0,0|1,0,1]=3 297 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,1,0,0,0,0|2,0,0]=3 299 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,1,0,0,0,0|2,0,1]=4 301 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,1,0,0,0,0|2,0,1]=4 303 B8R0.1 CN(CCF)CCCO 405cb1812406dc732acbd5ca2bf8d85c [0,1,0,0,0,0|2,0,1]=4 304 B8R0.1 CN(CCO)CCCO 36d713c03dc08766341246f14e07bda2 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,0,0,0,0|2,0,1]=4 307 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,1,0,0,0,0|2,0,1]=4 309 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,1,0,0,0,0|2,0,1]=4 310 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,1,0,0,0,0|2,0,1]=4 312 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,1,0,0,0,0|2,0,1]=4 314 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,1,0,0,0,0|2,0,1]=4 315 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,1,0,0,0,0|2,0,1]=4 316 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,1,0,0,0,0|2,0,1]=4 319 B8R0.1 C[C@H](CCCO)NCF 739629949299962ce494801aa452596e [0,1,0,0,0,0|2,0,1]=4 320 B8R0.1 C[C@H](CCCO)NCO 344fc929e55b0072ca3709d4cee8b54f [0,1,0,0,0,0|2,0,1]=4 321 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,1,0,0,0,0|2,0,1]=4 324 B8R0.1 O=C(/C=C/Br)NCCO 15955bec919debc233bf7c09714ca77c [0,1,0,0,0,0|2,0,1]=4 325 B8R0.1 O=C(/C=C/Cl)NCCO 746b019c1c312969fcfe4a4bd4cb4579 [0,1,0,0,0,0|2,0,1]=4 326 B8R0.1 O=C(/C=C/I)NCCO 142d9c49f9cc0e32e1fed19b995ab396 [0,1,0,0,0,0|2,0,1]=4 327 B8R0.1 O=C(/C=C\Br)NCCO 1cab061b560f2876dbc372e6b44f9dce [0,1,0,0,0,0|2,0,1]=4 328 B8R0.1 O=C(/C=C\Cl)NCCO e1a128dd2917c20378b32e2a2ac6ef54 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.1 O=C(/C=C\I)NCCO e6d4f50c53c480216a0d51f020c453d8 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.1 O=C(C=CBr)NCCO 324fdbd6ef48f65c1473aa11dc2da9e6 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.1 O=C(C=CI)NCCO 0bb4b2d1883c2de82b09efb252a154f7 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [0,1,0,0,0,0|2,0,1]=4 338 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.4 C#CCCNCCCO 74bbabadd82ed586e64e71b666d35898 [0,1,0,0,0,0|1,0,2]=4 340 B8R0.4 C#CCNC/C=C/CC 39df58767baf3afa772434ec9faffe76 [0,1,0,0,0,0|1,0,1]=3 341 B8R0.4 C#CCNCCCCO d42948e5f929eb2d4664076420e784e7 [0,1,0,0,0,0|1,0,2]=4 342 B8R0.4 C#CCOC/C=C/CC 752a2e489daedd119549118eaee08738 [0,1,0,0,0,0|1,0,1]=3 343 B8R0.4 C#CCOC/C=C\CC 6f0fabfcf344804e4bf66fe21c15bf06 [0,1,0,0,0,0|1,0,1]=3 344 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [0,1,0,0,0,0|1,0,2]=4 345 B8R0.4 C/C=C/C=C/COCF 02510bc1e5437b525e5ca68e059cfda2 [0,1,0,0,0,0|1,0,2]=4 346 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,1,0,0,0,0|1,0,2]=4 347 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [0,1,0,0,0,0|1,0,2]=4 348 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,1,0,0,0,0|1,0,2]=4 349 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [0,1,0,0,0,0|1,0,2]=4 350 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [0,1,0,0,0,0|0,1,2]=4 351 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,1,0,0,0,0|1,0,2]=4 352 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.4 C/C=C/CNCCCCl 03ba0747791691f90dfc81ef7ba2974e [0,1,0,0,0,0|1,0,2]=4 354 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,1,0,0,0,0|0,0,2]=3 355 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,1,0,0,0,0|1,0,2]=4 356 B8R0.4 C/C=C/CNCCON 79737eab41f3bc36cd4a5b8364278811 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,1,0,0,0,0|1,0,2]=4 358 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [0,1,0,0,0,0|0,1,2]=4 360 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,1,0,0,0,0|1,0,2]=4 361 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,1,0,0,0,0|1,0,2]=4 362 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [0,1,0,0,0,0|1,0,2]=4 363 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,1,0,0,0,0|1,0,2]=4 364 B8R0.4 C/C=C\CNCCCCl 3f4156c1c818ac8938afc4c777ade544 [0,1,0,0,0,0|1,0,2]=4 365 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,1,0,0,0,0|0,0,2]=3 366 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,1,0,0,0,0|1,0,2]=4 367 B8R0.4 C/C=C\CNCCON 4fa0dc470c681851fa457e5a616dfedc [0,1,0,0,0,0|1,0,2]=4 368 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,1,0,0,0,0|1,0,2]=4 369 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [0,1,0,0,0,0|1,0,2]=4 370 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [0,1,0,0,0,0|0,1,2]=4 371 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,1,0,0,0,0|1,0,2]=4 372 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [0,1,0,0,0,0|1,0,2]=4 373 B8R0.4 C=C/C=C/CCNCF 1e65d032365f354a4b51175e978bf93e [0,1,0,0,0,0|1,0,2]=4 374 B8R0.4 C=C/C=C/CCNCO cc62028f0291dc61382b8a1bf0b8ba53 [0,1,0,0,0,0|0,0,2]=3 375 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,1,0,0,0,0|2,0,1]=4 377 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,1,0,0,0,0|2,0,1]=4 379 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,1,0,0,0,0|1,0,2]=4 380 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,1,0,0,0,0|1,0,2]=4 381 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,1,0,0,0,0|1,0,1]=3 382 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.4 CC#CCNCCCO 8452183b079d4b534410007ad00acc65 [0,1,0,0,0,0|0,0,3]=4 384 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [0,1,0,0,0,0|1,0,0]=2 385 B8R0.4 CC/C=C/CCOCF 016afc62275da200b50eda51355efb67 [0,1,0,0,0,0|1,0,0]=2 386 B8R0.4 CC/C=C/CNCC#N f5e125ee3d2e18e576d6599acbaf1be7 [0,1,0,0,0,0|1,0,1]=3 387 B8R0.4 CC/C=C/CNCCBr 1efd764ee57dc65be1c0b16587baa891 [0,1,0,0,0,0|1,0,0]=2 388 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [0,1,0,0,0,0|1,0,0]=2 389 B8R0.4 CC/C=C/CNCCF 941667b58ffa216efb1af53e94ad7152 [0,1,0,0,0,0|1,0,0]=2 390 B8R0.4 CC/C=C/CNCCI 6d6706276d9cacecb7dbbca8ea7b453a [0,1,0,0,0,0|1,0,0]=2 391 B8R0.4 CC/C=C/CNCCO 141b854b7ea740721874c3a88dd89e50 [0,1,0,0,0,0|0,0,0]=1 392 B8R0.4 CC/C=C/CNCCS 45052a68f5bdd8de4365f76aaf1ba3d0 [0,1,0,0,0,0|0,1,0]=2 393 B8R0.4 CC/C=C/COCC#N 02b76d5228b9f970d7bd7fa26edc79dc [0,1,0,0,0,0|1,0,1]=3 394 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,1,0,0,0,0|0,0,2]=3 395 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [0,1,0,0,0,0|1,0,0]=2 396 B8R0.4 CC/C=C/COCCF 2a8967892fd524c5820478ef10bcc725 [0,1,0,0,0,0|1,0,0]=2 397 B8R0.4 CC/C=C/COCCS d6ad362599078ed5bc582011934d083a [0,1,0,0,0,0|0,1,0]=2 398 B8R0.4 CC/C=C/COCOC 3dfee6432437086c29231f9b1b3a76a8 [0,1,0,0,0,0|1,0,0]=2 399 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,1,0,0,0,0|1,1,0]=3 400 B8R0.4 CC/C=C\CCNC#N 596ee05200d62a327088b392de8df1f0 [0,1,0,0,0,0|1,0,1]=3 401 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [0,1,0,0,0,0|1,0,0]=2 402 B8R0.4 CC/C=C\CCOCF b8616b8f54d30d73f96ef217eba31f2c [0,1,0,0,0,0|1,0,0]=2 403 B8R0.4 CC/C=C\COCC#N 470c51425997c74c551e30f33c442d75 [0,1,0,0,0,0|1,0,1]=3 404 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,1,0,0,0,0|0,0,2]=3 405 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [0,1,0,0,0,0|1,0,0]=2 406 B8R0.4 CC/C=C\COCCF 2b38e120135402cc20ee9ae0b698961a [0,1,0,0,0,0|1,0,0]=2 407 B8R0.4 CC/C=C\COCCS 811a9bd602c4f49de9eadd9afc91808f [0,1,0,0,0,0|0,1,0]=2 408 B8R0.4 CC/C=C\COCOC 2a89ae2104c37be23e4faf0d1930f1ff [0,1,0,0,0,0|1,0,0]=2 409 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,1,0,0,0,0|1,1,0]=3 410 B8R0.4 CC=C=CCCOCC 6bee7d8955b0da11354efc3ae62c1cea [0,1,0,0,0,0|1,0,2]=4 411 B8R0.4 CC=C=CCCOCF 8b700da1c475bea70200edec8f2a3178 [0,1,0,0,0,0|1,0,2]=4 412 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [0,1,0,0,0,0|1,0,2]=4 413 B8R0.4 CC=CC=CCOCF 1aa20a7eea5c51200b32b92fc0ce88f4 [0,1,0,0,0,0|1,0,2]=4 414 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,1,0,0,0,0|1,0,2]=4 415 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [0,1,0,0,0,0|1,0,2]=4 416 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,1,0,0,0,0|1,0,2]=4 417 B8R0.4 CC=CCNCCCF b3c3f7a07d4c683b1310ea54eec73a0a [0,1,0,0,0,0|1,0,2]=4 418 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,1,0,0,0,0|0,0,2]=3 419 B8R0.4 CC=CCNCCCS 66bf4e52cf6c2fcd14ea89881803176b [0,1,0,0,0,0|0,1,2]=4 420 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,1,0,0,0,0|1,0,2]=4 421 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,1,0,0,0,0|1,0,2]=4 422 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [0,1,0,0,0,0|1,0,2]=4 423 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [0,1,0,0,0,0|0,1,2]=4 424 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,1,0,0,0,0|1,0,2]=4 425 B8R0.4 CCC#CCCOCC 4cce7b24b6fbc922deb63899ac441019 [0,1,0,0,0,0|1,0,2]=4 426 B8R0.4 CCC#CCCOCF 185ff7ec678da9103566f33052eeb3fe [0,1,0,0,0,0|1,0,2]=4 427 B8R0.4 CCC#CCNCCC 508bd01b11d11ed82c7053cb3af1a986 [0,1,0,0,0,0|1,0,2]=4 428 B8R0.4 CCC#CCNCCI f4ff38057511b20665946fa9f997bec6 [0,1,0,0,0,0|1,0,2]=4 429 B8R0.4 CCC#CCNCCO 342f8f12192ac298790b8242f1648c24 [0,1,0,0,0,0|0,0,2]=3 430 B8R0.4 CCC#CCNCCS f2c620380da92c10c6dd279e25b22b67 [0,1,0,0,0,0|0,1,2]=4 431 B8R0.4 CCC#CCOCCC 4e180024a47b40b4debdbd4f1d487e6a [0,1,0,0,0,0|1,0,2]=4 432 B8R0.4 CCC#CCOCCF fa12a3cda1757850fe8b8814e4252c73 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.4 CCC#CCOCCS 2566dcb10f89a176a755c9881ab912eb [0,1,0,0,0,0|0,1,2]=4 434 B8R0.4 CCC#CCOCOC bd0f991f06ad8ff7ce35aa473b8a6860 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.4 CCC/C=C/CNC#N 3fc7b3ae1f610d46cdd36aa175edd26f [0,1,0,0,0,0|2,0,1]=4 436 B8R0.4 CCC/C=C/COCC 194c2fe9a034aa9429bf8b431746f7e5 [0,1,0,0,0,0|2,0,0]=3 437 B8R0.4 CCC/C=C/COCF 363b3dafb0c99a41f008be5dc0bd0a1d [0,1,0,0,0,0|2,0,0]=3 438 B8R0.4 CCC/C=C\CNC#N 24b87857166cbb6e43d838ab8de7c996 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.4 CCC/C=C\COCC 6a1508b69f1117002ddef7a5ce847c5e [0,1,0,0,0,0|2,0,0]=3 440 B8R0.4 CCC/C=C\COCF 32dee642d588426359eb4e546e1f4c84 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,1,0,0,0,0|1,0,2]=4 442 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,1,0,0,0,0|0,0,2]=3 444 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,1,0,0,0,0|1,0,2]=4 445 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,1,0,0,0,0|1,0,2]=4 446 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [0,1,0,0,0,0|1,0,2]=4 447 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [0,1,0,0,0,0|1,0,2]=4 448 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [0,1,0,0,0,0|1,0,2]=4 449 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [0,1,0,0,0,0|1,0,2]=4 450 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,1,0,0,0,0|0,0,2]=3 451 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [0,1,0,0,0,0|0,1,2]=4 452 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,1,0,0,0,0|1,0,2]=4 453 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,1,0,0,0,0|2,0,1]=4 454 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [0,1,0,0,0,0|1,0,2]=4 455 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [0,1,0,0,0,0|1,0,2]=4 456 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [0,1,0,0,0,0|0,1,2]=4 457 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,1,0,0,0,0|1,0,2]=4 458 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,1,0,0,0,0|2,0,1]=4 459 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [0,1,0,0,0,0|1,0,2]=4 460 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [0,1,0,0,0,0|1,0,2]=4 461 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,1,0,0,0,0|0,0,2]=3 463 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [0,1,0,0,0,0|0,1,2]=4 464 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,1,0,0,0,0|1,0,2]=4 466 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,1,0,0,0,0|2,0,1]=4 467 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,1,0,0,0,0|2,0,1]=4 468 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [0,1,0,0,0,0|1,0,2]=4 470 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [0,1,0,0,0,0|0,1,2]=4 471 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,1,0,0,0,0|1,0,2]=4 472 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [0,1,0,0,0,0|2,0,1]=4 474 B8R0.4 CCCNCC#CCO f4ac2da6fda4ff130e25482d383253d7 [0,1,0,0,0,0|1,0,2]=4 475 B8R0.4 CCCNCC=CC#N 00d9199c497aa50d1808abb61382e50a [0,1,0,0,0,0|2,0,1]=4 476 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,1,0,0,0,0|1,0,2]=4 478 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [0,1,0,0,0,0|1,0,2]=4 479 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,1,0,0,0,0|0,0,2]=3 481 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [0,1,0,0,0,0|0,1,2]=4 482 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,1,0,0,0,0|1,0,1]=3 483 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,1,0,0,0,0|1,1,1]=4 484 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.4 CCCOCC=CC#N 1f16570674240bf3bb4253ebe2ac9ad8 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [0,1,0,0,0,0|2,0,1]=4 489 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,1,0,0,0,0|1,0,2]=4 490 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [0,1,0,0,0,0|0,1,2]=4 492 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,1,0,0,0,0|1,0,1]=3 493 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,1,0,0,0,0|1,1,1]=4 494 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,1,0,0,0,0|1,0,1]=3 497 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,1,0,0,0,0|2,0,1]=4 499 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [0,1,0,0,0,0|1,0,2]=4 504 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,1,0,0,0,0|0,0,2]=3 505 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,1,0,0,0,0|1,0,1]=3 506 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,1,0,0,0,0|1,1,1]=4 507 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [0,1,0,0,0,0|1,0,1]=3 509 B8R0.4 CCNCCOCCS c3388bd6ae086c9b8dbf3a86d3508eb7 [0,1,0,0,0,0|1,1,1]=4 510 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,1,0,0,0,0|1,0,1]=3 511 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [0,1,0,0,0,0|2,0,1]=4 512 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,1,0,0,0,0|1,0,2]=4 513 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,1,0,0,0,0|1,0,1]=3 514 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,1,0,0,0,0|1,1,1]=4 515 B8R0.4 CCOCCCNCF c6a11378b9c44a817d79d2cae799cfcb [0,1,0,0,0,0|2,0,1]=4 516 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,1,0,0,0,0|1,0,1]=3 517 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,1,0,0,0,0|2,0,1]=4 519 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,1,0,0,0,0|2,0,1]=4 520 B8R0.4 CCOCCNCCBr 24d90c4b8e1e41e3d5a0a74399711bae [0,1,0,0,0,0|2,0,1]=4 521 B8R0.4 CCOCCNCCF 0faef7540a48aa944230e6a301e4788b [0,1,0,0,0,0|2,0,1]=4 522 B8R0.4 CCOCCNCCI f65e8675fe2e8893dceda2bbe3a9ec63 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [0,1,0,0,0,0|1,0,1]=3 524 B8R0.4 CCOCCNCCS ae3728d23412f412d31284f71a900d8b [0,1,0,0,0,0|1,1,1]=4 525 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [0,1,0,0,0,0|1,1,1]=4 528 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.4 CCOCNCCCCl 1846db9f15f7a8a85185f6bc4bad5303 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [0,1,0,0,0,0|1,0,1]=3 531 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [0,1,0,0,0,0|2,0,1]=4 532 B8R0.4 CCOCNCCON 072d82705d35da15718af35238f91212 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.4 CCOCOCCCF 46d1dba63f6b597718627da78c4b8925 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.4 CCOCOCCCS 1394d614946e314ee48b201c438f266a [0,1,0,0,0,0|1,1,1]=4 535 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [0,1,0,0,0,0|2,0,1]=4 536 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,1,0,0,0,0|2,0,1]=4 537 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [0,1,0,0,0,0|2,0,1]=4 538 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [0,1,0,0,0,0|2,0,1]=4 540 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,1,0,0,0,0|1,0,1]=3 541 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [0,1,0,0,0,0|1,1,1]=4 542 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [0,1,0,0,0,0|2,0,1]=4 544 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [0,1,0,0,0,0|1,1,1]=4 545 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,1,0,0,0,0|1,0,2]=4 548 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,1,0,0,0,0|2,0,1]=4 549 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [0,1,0,0,0,0|2,0,1]=4 550 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [0,1,0,0,0,0|2,0,1]=4 551 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [0,1,0,0,0,0|2,0,1]=4 552 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [0,1,0,0,0,0|1,0,2]=4 553 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [0,1,0,0,0,0|2,0,1]=4 554 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [0,1,0,0,0,0|2,0,1]=4 555 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [0,1,0,0,0,0|2,0,1]=4 558 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [0,1,0,0,0,0|2,0,1]=4 561 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [0,1,0,0,0,0|2,0,1]=4 562 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [0,1,0,0,0,0|1,1,1]=4 564 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [0,1,0,0,0,0|2,0,1]=4 565 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [0,1,0,0,0,0|1,1,1]=4 566 B8R0.4 COCNCCCCCl d47b66156d6f192dfb73b80cd35af2c2 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [0,1,0,0,0,0|1,0,1]=3 568 B8R0.4 COCNCCCCS a2c1ef24130e97b681aa9ad1afee8274 [0,1,0,0,0,0|1,1,1]=4 569 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [0,1,0,0,0,0|2,0,1]=4 570 B8R0.4 COCOCC=CC#N f530ba679650551dd403459bb229f1b4 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [0,1,0,0,0,0|2,0,1]=4 572 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [0,1,0,0,0,0|1,1,1]=4 573 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,1,0,0,0,0|1,0,2]=4 574 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,1,0,0,0,0|1,0,2]=4 575 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,1,0,0,0,0|1,0,1]=3 578 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,1,0,0,0,0|1,1,1]=4 579 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,1,0,0,0,0|1,1,1]=4 581 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,1,0,0,0,0|1,0,1]=3 583 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,1,0,0,0,0|1,1,1]=4 584 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,1,0,0,0,0|1,1,1]=4 586 B8R0.4 FCCCCNCCBr 1bc9dcab92a1f12330accfd2e72e14d6 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.4 FCCCCNCCF b075693ceddaf7fa11043e144c2816af [0,1,0,0,0,0|2,0,1]=4 588 B8R0.4 FCCCCNCCI ae7ed6aebf6c4a1c34a09e82d047c2a9 [0,1,0,0,0,0|2,0,1]=4 589 B8R0.4 FCCCCNCCS 816bb59d91997d2c1bc92b7c0f6e366d [0,1,0,0,0,0|2,0,1]=4 590 B8R0.4 FCCCCOCCF 17e41dc14ab54f79884ac156b3d1ba74 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.4 FCCCCOCCS e510e523279ca95973ccf48144b1bca7 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.4 FCCCNCCCCl 61f0c1078fb9a5f585e48809f4300baf [0,1,0,0,0,0|2,0,1]=4 593 B8R0.4 FCCCOCCCF e373f4a6b2c7dc09eddb397d23d9d066 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.4 FCCCOCCCS a95e3eb0421bef7333721cdcdbd3bc4b [0,1,0,0,0,0|1,1,1]=4 595 B8R0.4 FCCNCCCCCl 1975b8307faa11448c1bdf8992af87f1 [0,1,0,0,0,0|2,0,1]=4 596 B8R0.4 FCCNCCCCS 8ed200c082c73abc8837abac0f9d569b [0,1,0,0,0,0|1,1,1]=4 597 B8R0.4 FCCOCCCCS bc8da81f510b1c1aea4df0919b9f364c [0,1,0,0,0,0|1,1,1]=4 598 B8R0.4 N#CC=CCNCCBr edebe981eeb79700816d0267b0843f74 [0,1,0,0,0,0|2,0,1]=4 599 B8R0.4 N#CC=CCNCCF 337e14b07dd0b34f3bfd1f9feb1cbfb0 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.4 N#CC=CCNCCI 1ee459c66ed749d0f16748f7b5e0bfb8 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.4 N#CC=CCNCCO bd9c1ffb6f301116f96b17e961ddaa30 [0,1,0,0,0,0|1,0,1]=3 602 B8R0.4 N#CC=CCNCCS 95b65c0dd42e7cd1863ef1496d7ab013 [0,1,0,0,0,0|1,1,1]=4 603 B8R0.4 N#CC=CCOCCF 0d04676756eccc98ee038e1785be7cff [0,1,0,0,0,0|2,0,1]=4 604 B8R0.4 N#CC=CCOCCS 00f48723ece1be61d9828304090e00ca [0,1,0,0,0,0|1,1,1]=4 605 B8R0.4 N#CCCNCCCO 03e45c8fdb4434cec08ca61a1346d851 [0,1,0,0,0,0|1,0,2]=4 606 B8R0.4 N#CCNCCCCO b77909d4a72cb9821a3b38b67388a721 [0,1,0,0,0,0|1,0,2]=4 607 B8R0.4 NOCCNCCCO 774001fb7b569048dbf3827ed251d91b [0,1,0,0,0,0|2,0,1]=4 608 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [0,1,0,0,0,0|1,0,2]=4 609 B8R0.4 O=C/C=C/COCCF 8b3ecdcae3ced2a7cbe5cc5356a25a84 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.4 O=C/C=C/COCCS c79988ae7800ad8f8ff2a528a56e3d57 [0,1,0,0,0,0|1,1,1]=4 611 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,1,0,0,0,0|1,0,2]=4 612 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,1,0,0,0,0|1,0,2]=4 613 B8R0.4 OCC#CCNCCO a38918e0210fa7aaa13e77b17dff5be4 [0,1,0,0,0,0|1,0,2]=4 614 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,1,0,0,0,0|1,0,2]=4 615 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,1,0,0,0,0|1,0,2]=4 616 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [0,1,0,0,0,0|1,0,1]=3 617 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [0,1,0,0,0,0|1,0,1]=3 618 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [0,1,0,0,0,0|1,0,1]=3 619 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [0,1,0,0,0,0|1,0,1]=3 620 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [0,1,0,0,0,0|1,0,1]=3 621 B8R0.4 OCCCNC/C=C/Cl a17a1b53f58468b152bb7bf06941b0c6 [0,1,0,0,0,0|1,0,2]=4 622 B8R0.4 OCCCNC/C=C\Cl 523d4e539a4b22a363005ae021d9b8b4 [0,1,0,0,0,0|1,0,2]=4 623 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [0,1,0,0,0,0|1,0,1]=3 624 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [0,1,0,0,0,0|1,0,1]=3 625 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [0,1,0,0,0,0|1,0,1]=3 626 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [0,1,0,0,0,0|1,0,1]=3 627 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [0,1,0,0,0,0|1,0,2]=4 628 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [0,1,0,0,0,0|1,0,2]=4 629 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [0,1,0,0,0,0|1,0,2]=4 630 B8R0.4 OCCOCCNCF 1688f9d4b94d3d27a20aedeebca8507f [0,1,0,0,0,0|2,0,1]=4 631 B8R0.4 OCCOCCNCO b8376885fd98d838d1a745a28251ecc5 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.4 OCCSCCNCF cb5b3cf00adab2a34aa5e895e0a9f1fa [0,1,0,0,0,0|2,0,1]=4 633 B8R0.4 OCCSCCNCO 3980bb589c09e1402dc3f13ea70bae04 [0,1,0,0,0,0|2,0,1]=4 634 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,1,0,0,0,0|1,0,2]=4 635 B8R0.4 OCNCCOCCS 571ee11f0d3575a556c292dd6fae310f [0,1,0,0,0,0|2,0,1]=4 636 B8R0.4 SCCCCNCCS bbc20384e5a691b033ac2653063e3ebf [0,1,0,0,0,0|1,1,1]=4 637 B8R0.4 SCCCCOCCS 99ee8ef0ab9592fe877786d3b31651be [0,1,0,0,0,0|1,1,1]=4 638 B8R0.4 SCCCNCCCCl 6fdfe443a1562b7aec0e4a4555e2e602 [0,1,0,0,0,0|1,1,1]=4 639 B8R0.4 SCCCOCCCS b365a2c2ba6de0483f721999d9724a99 [0,1,0,0,0,0|1,1,1]=4 640 B8R0.4 SCCNCCCCCl 74b3cd616c7f88cf9fb2283763fb5c22 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.6 C#CC(=O)NCCCO 12d57d1037b70231cb0862460a64755d [0,1,0,0,0,0|1,0,2]=4 642 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [0,1,0,0,0,0|1,0,2]=4 644 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [0,1,0,0,0,0|1,0,2]=4 645 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [0,1,0,0,0,0|1,0,2]=4 646 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [0,1,0,0,0,0|1,0,2]=4 647 B8R0.6 C/C=C\CN[C@@H](C)CO 1658aa06967e9cc30f7dd209c8879a92 [0,1,0,0,0,0|1,0,2]=4 648 B8R0.6 C/C=C\CN[C@H](C)CO e751366bb6353bf65b49aa5f12cb2d06 [0,1,0,0,0,0|1,0,2]=4 649 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,0,0,0,0|2,0,1]=4 651 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,1,0,0,0,0|2,0,1]=4 652 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,1,0,0,0,0|2,0,1]=4 653 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,1,0,0,0,0|1,0,1]=3 654 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,1,0,0,0,0|1,1,1]=4 655 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,1,0,0,0,0|1,1,1]=4 658 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,1,0,0,0,0|1,0,2]=4 660 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,1,0,0,0,0|1,0,2]=4 662 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,0,0,0,0|2,0,1]=4 663 B8R0.6 CC(CO)CCNCF 0ad022df943d764ef145e0f8d30541a7 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.6 CC(CO)CCNCO 4f74fd9c430ee94cbd99d6a6caafb46e [0,1,0,0,0,0|2,0,1]=4 665 B8R0.6 CC(CO)CNCCBr d121d103935777f751c1c7b6b5f9b62f [0,1,0,0,0,0|2,0,1]=4 666 B8R0.6 CC(CO)CNCCF 88c6f1091bf9f5c91a3f9be8331f0eb2 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.6 CC(CO)CNCCI 8370d8f29561179547fc3444e79dfad7 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.6 CC(CO)CNCCO 999d507f7ca6cc28527d7a2703f569b7 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.6 CC(CO)CNCCS afcdeaa8fef3530e70b1f054b0bb82c1 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.6 CC(CO)NCCCO 499b6197ac53017ec71cd3e4679adfdc [0,1,0,0,0,0|2,0,1]=4 671 B8R0.6 CC/C=C/CN(C)CC bc9391756a9e8870e2f8e1cea97c64ab [0,1,0,0,0,0|2,0,0]=3 672 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [0,1,0,0,0,0|1,0,2]=4 673 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [0,1,0,0,0,0|1,0,2]=4 674 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [0,1,0,0,0,0|1,0,2]=4 675 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,0,0,0,0|2,0,1]=4 676 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,0,0,0,0|1,0,1]=3 679 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,0,0,0,0|1,1,1]=4 680 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,0,0,0,0|1,1,1]=4 682 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,1,0,0,0,0|2,0,1]=4 683 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,1,0,0,0,0|2,0,0]=3 684 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,0,0,0,0|1,0,0]=2 685 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,0,0,0,0|3,0,0]=4 688 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,1,0,0,0,0|1,0,2]=4 689 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,1,0,0,0,0|1,0,2]=4 690 B8R0.6 CCC(C)NCCCCl 3c30fde6c5168ee70cde18df169dc1ce [0,1,0,0,0,0|2,0,1]=4 691 B8R0.6 CCC(C)NCCCF 67c9382accd96be051c233c106bd6818 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,1,0,0,0,0|1,0,1]=3 693 B8R0.6 CCC(C)NCCCS 305cc88eaf0bb6e07e1ce30e503bc156 [0,1,0,0,0,0|1,1,1]=4 694 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,1,0,0,0,0|1,1,1]=4 696 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,1,0,0,0,0|1,0,2]=4 697 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,0,0,0,0|2,0,1]=4 698 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,1,0,0,0,0|1,0,2]=4 699 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,0,0,0,0|2,0,0]=3 700 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,1,0,0,0,0|1,0,2]=4 705 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,1,0,0,0,0|2,0,1]=4 706 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,1,0,0,0,0|1,0,2]=4 707 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,1,0,0,0,0|2,0,1]=4 708 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,1,0,0,0,0|1,0,2]=4 709 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,1,0,0,0,0|2,0,1]=4 711 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,1,0,0,0,0|2,0,1]=4 712 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,0,0,0,0|2,0,1]=4 713 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,0,0,0,0|1,0,2]=4 714 B8R0.6 CCCNCC(Br)CBr d2a5ecd1bc3d122593813288dad63c81 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,1,0,0,0,0|1,0,1]=3 717 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,1,0,0,0,0|1,0,1]=3 718 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,0,0,0,0|2,0,1]=4 719 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,1,0,0,0,0|1,0,1]=3 721 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,1,0,0,0,0|1,0,1]=3 723 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,1,0,0,0,0|1,0,1]=3 724 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,1,0,0,0,0|1,0,1]=3 725 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,1,0,0,0,0|2,0,1]=4 726 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,1,0,0,0,0|1,0,1]=3 728 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [0,1,0,0,0,0|2,0,1]=4 732 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,1,0,0,0,0|2,0,1]=4 733 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [0,1,0,0,0,0|2,0,1]=4 734 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,1,0,0,0,0|1,0,1]=3 735 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [0,1,0,0,0,0|1,1,1]=4 736 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,1,0,0,0,0|1,0,1]=3 738 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,1,0,0,0,0|1,0,1]=3 740 B8R0.6 CCN(C)CCCCF 9cba963fe29e0e981772352c51d7f232 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,1,0,0,0,0|1,0,1]=3 742 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,1,0,0,0,0|1,0,1]=3 744 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,1,0,0,0,0|1,0,1]=3 745 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,1,0,0,0,0|1,0,1]=3 746 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,1,0,0,0,0|2,0,1]=4 747 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.6 CCOCCN(C)CO b65808a1feae7a64adfe4a5fe7b8d2d1 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,1,0,0,0,0|2,0,1]=4 750 B8R0.6 CCOCNC(C)CO 5ebcdf59239cfcc35f4b7f61ea4515b6 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.6 CCOCN[C@@H](C)CO 3158c0d2f8da9a26d663d5ea0a2a9bf3 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.6 CCOCN[C@H](C)CO 4ab6995009caf0fe7f374102e397ab9f [0,1,0,0,0,0|2,0,1]=4 753 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,1,0,0,0,0|1,0,2]=4 754 B8R0.6 CC[C@@H](C)NCCCF 5505371a202bfecabfd929226673cd4e [0,1,0,0,0,0|2,0,1]=4 755 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,1,0,0,0,0|1,0,1]=3 756 B8R0.6 CC[C@@H](C)NCCCS d018b350a4f6c69980561293a6f52a5a [0,1,0,0,0,0|1,1,1]=4 757 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,1,0,0,0,0|1,1,1]=4 759 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,1,0,0,0,0|1,0,2]=4 760 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,1,0,0,0,0|1,0,2]=4 761 B8R0.6 CC[C@H](C)NCCCF d08d092d569ce6563951c753af4fb97c [0,1,0,0,0,0|2,0,1]=4 762 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,1,0,0,0,0|1,0,1]=3 763 B8R0.6 CC[C@H](C)NCCCS cdf23c371c67ce79e2901b4af058d9c9 [0,1,0,0,0,0|1,1,1]=4 764 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,1,0,0,0,0|2,0,1]=4 765 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,1,0,0,0,0|1,1,1]=4 766 B8R0.6 CN(CF)CCCCO 9cdee7e6fc3462a89ee4c09b4bdf06be [0,1,0,0,0,0|2,0,1]=4 767 B8R0.6 CN(CO)CCCCO 95b34bd6810255fa2c6a80302969d8a4 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.6 COCNCC(C)CO 7a2e0eee430810ea3ea4debc59a5516e [0,1,0,0,0,0|2,0,1]=4 773 B8R0.6 COCNCC(F)CO 3b1571ec76f3509c5f9d5c0eabd29d20 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.6 COCNC[C@@H](F)CO 24a7cd7c4d9540dc5eb1cd6d821cecec [0,1,0,0,0,0|2,0,1]=4 776 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,1,0,0,0,0|2,0,1]=4 777 B8R0.6 COCNC[C@H](C)CO 231f84dac728a289d40b3e3a902f7d0a [0,1,0,0,0,0|2,0,1]=4 778 B8R0.6 COCNC[C@H](F)CO cc52652202198b860d51d84128ce61f2 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,1,0,0,0,0|2,0,1]=4 781 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,1,0,0,0,0|2,0,1]=4 782 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,1,0,0,0,0|2,0,1]=4 783 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,1,0,0,0,0|2,0,1]=4 785 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,1,0,0,0,0|2,0,1]=4 788 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,1,0,0,0,0|2,0,1]=4 790 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.6 C[C@@H](CO)CCNCF 3210926d329af58818ccb69287cbc51b [0,1,0,0,0,0|2,0,1]=4 792 B8R0.6 C[C@@H](CO)CCNCO ff87c146d1d5bb26efd73e902a99fe58 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.6 C[C@@H](CO)CNCCBr d50c5d51afa5943537be1cc5a65b13a8 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.6 C[C@@H](CO)CNCCF 3c604134a748abd2f2f86e254315e04a [0,1,0,0,0,0|2,0,1]=4 795 B8R0.6 C[C@@H](CO)CNCCI dede1b94588103839adb40049889bb5d [0,1,0,0,0,0|2,0,1]=4 796 B8R0.6 C[C@@H](CO)CNCCO 9af5b268cdbbb48fe80cc31700cfc4a2 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.6 C[C@@H](CO)CNCCS 83b8105b81b35043285dd51f7cdbc743 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.6 C[C@@H](CO)NCCCO 6461b70f844a39969873e06a3571a000 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.6 C[C@H](CO)CNCCBr 4b0b7fe680b6c331915fa2277d8376d4 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.6 C[C@H](CO)CNCCF e9a6aeb3654dc0602a6d1f17983b36d4 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.6 C[C@H](CO)CNCCI b4abad2c74077a8495cda50f2e51cd04 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.6 C[C@H](CO)CNCCO b2b4657fd14e0249f6aeb2840e730b6b [0,1,0,0,0,0|2,0,1]=4 803 B8R0.6 C[C@H](CO)CNCCS be5c40b1ea1bff877fe6e3aade52274e [0,1,0,0,0,0|2,0,1]=4 804 B8R0.6 C[C@H](CO)NCCCO 0891af69e95a2685b6435db9477f8286 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,1,0,0,0,0|3,0,0]=4 806 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,1,0,0,0,0|2,0,0]=3 807 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,1,0,0,0,0|2,0,1]=4 808 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,0,0,0,0|3,0,0]=4 809 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,0,0,0,0|2,0,0]=3 810 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,1,0,0,0,0|3,0,0]=4 811 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,1,0,0,0,0|2,0,0]=3 812 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.6 OCC(F)CNCCF 47b25da389d463b01b79a9fdcc81a66d [0,1,0,0,0,0|2,0,1]=4 814 B8R0.6 OCC(F)CNCCS 08d2169dfc97c42d68c7254ebcc0d01e [0,1,0,0,0,0|2,0,1]=4 815 B8R0.6 OCC(O)CCNCF 6ae225196f47d62edfde75946a275dce [0,1,0,0,0,0|2,0,1]=4 816 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,1,0,0,0,0|2,0,1]=4 817 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,1,0,0,0,0|2,0,1]=4 818 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,1,0,0,0,0|2,0,1]=4 819 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.6 OCCNCC(F)CO c49eba70ba235443a64b3fdb137219cd [0,1,0,0,0,0|2,0,1]=4 823 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.6 OCCNC[C@@H](F)CO f0a8569733061565e77df74ca5d97b0a [0,1,0,0,0,0|2,0,1]=4 825 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.6 OCCNC[C@H](F)CO 97f3758f135f3ad80a6e4096fcc72261 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,1,0,0,0,0|2,0,1]=4 829 B8R0.6 OC[C@@H](F)CNCCF 71fdee11ded3c4308f379d61e33e03eb [0,1,0,0,0,0|2,0,1]=4 830 B8R0.6 OC[C@@H](F)CNCCS 05424800e1306ed275f6467a9d4080a1 [0,1,0,0,0,0|2,0,1]=4 831 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,1,0,0,0,0|2,0,1]=4 832 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,1,0,0,0,0|2,0,1]=4 837 B8R0.6 OC[C@H](F)CNCCF bbf8bd99395ca1e217b9e444b50f1808 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.6 OC[C@H](F)CNCCS 034ceb360b46caf7d721809f49ad431a [0,1,0,0,0,0|2,0,1]=4 839 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,1,0,0,0,0|2,0,1]=4 844 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,1,0,0,0,0|2,0,1]=4 845 B8R0.7 C/C(=C/CNCCO)/I e7788fa36159fd206e0a3b27854cfd27 [0,1,0,0,0,0|1,0,2]=4 846 B8R0.7 C/C(=C\CNCCO)/Cl 49bb7565d9837c47c95956eb00cdffbb [0,1,0,0,0,0|1,0,2]=4 847 B8R0.7 C/C=C/CNCC(C)O 706b7ee4e3f651c4ef21af8a02fff587 [0,1,0,0,0,0|1,0,2]=4 848 B8R0.7 C/C=C/CNC[C@@H](C)O 9cc88730a7b6c5f02a9d2f5e6f67c4e4 [0,1,0,0,0,0|1,0,2]=4 849 B8R0.7 C/C=C/CNC[C@H](C)O 1acf4707ce0333163ff659136cf2b6da [0,1,0,0,0,0|1,0,2]=4 850 B8R0.7 C/C=C\CNCC(C)O 4872f4c901dc8cc56679a0801ea5fa82 [0,1,0,0,0,0|1,0,2]=4 851 B8R0.7 C/C=C\CNC[C@@H](C)O 8a926f9e7738c9540aa2a6d2f41bc645 [0,1,0,0,0,0|1,0,2]=4 852 B8R0.7 C/C=C\CNC[C@H](C)O adad592ebec3ffb5ca56dd53da3fb565 [0,1,0,0,0,0|1,0,2]=4 853 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,1,0,0,0,0|1,0,2]=4 854 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,1,0,0,0,0|1,0,2]=4 855 B8R0.7 CC(=CCNCCO)Cl 2ee9ba9ff7c8b9d705daa10c68d79bd1 [0,1,0,0,0,0|1,0,2]=4 856 B8R0.7 CC(=CCNCCO)I 9067fd97739f8e67fe2797cc7f12cf31 [0,1,0,0,0,0|1,0,2]=4 857 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,1,0,0,0,0|1,0,2]=4 858 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,1,0,0,0,0|1,0,2]=4 859 B8R0.7 CC(C)/C=C/CNC#N 662a7772478329bbde8a528c9f4974cd [0,1,0,0,0,0|2,0,1]=4 860 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,1,0,0,0,0|1,0,2]=4 861 B8R0.7 CC(C)CCNCCO 8808dbc8c43d3215658a37aae8c42922 [0,1,0,0,0,0|1,0,2]=4 862 B8R0.7 CC(C)CNCCCCl 83551d904dbd627980ba793c1942d0e5 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.7 CC(C)CNCCCF e685da6699f44994d973febb9b810867 [0,1,0,0,0,0|2,0,1]=4 864 B8R0.7 CC(C)CNCCCO 1cd6cdd205d9b8765f3eafc45298521d [0,1,0,0,0,0|1,0,1]=3 865 B8R0.7 CC(C)CNCCCS 240b44f5bc44a9ca7d752febf9653f98 [0,1,0,0,0,0|1,1,1]=4 866 B8R0.7 CC(C)COCCCF 47b3e7003392b7e4d6af83ce49e8ae15 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.7 CC(C)COCCCS 4a6bc2e192e2a8c81d6a0173f59ed2af [0,1,0,0,0,0|1,1,1]=4 868 B8R0.7 CC(C)NCCCCCl 760ce504f04b0a2c192a1d1765dbdc9f [0,1,0,0,0,0|2,0,1]=4 869 B8R0.7 CC(C)NCCCCO cac322fa4c207db5bec318c0141a5615 [0,1,0,0,0,0|1,0,1]=3 870 B8R0.7 CC(C)NCCCCS 974c6621180d0a894c4f21e582cd2063 [0,1,0,0,0,0|1,1,1]=4 871 B8R0.7 CC(C)OCCCCF f9388f7924de81152ad266bc0e0fb91b [0,1,0,0,0,0|2,0,1]=4 872 B8R0.7 CC(C)OCCCCS 7024b4637fc758d50ee27d269b165a7f [0,1,0,0,0,0|1,1,1]=4 873 B8R0.7 CC(C)OCCNCO 0aee07ff538edc4e8f422683fa1e35c0 [0,1,0,0,0,0|2,0,1]=4 874 B8R0.7 CC(C)OCNCCO 7914ffab43828f446a5354dacb24e6a5 [0,1,0,0,0,0|2,0,1]=4 875 B8R0.7 CC(F)COCCCF 38263380a67c44c16346ab110c4b14ed [0,1,0,0,0,0|2,0,1]=4 876 B8R0.7 CC(F)COCCCS fe888356fa7666952d363a84eef052cb [0,1,0,0,0,0|1,1,1]=4 877 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,1,0,0,0,0|2,0,1]=4 879 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,1,0,0,0,0|2,0,1]=4 880 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,1,0,0,0,0|1,0,2]=4 881 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,1,0,0,0,0|2,0,1]=4 883 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,1,0,0,0,0|2,0,1]=4 884 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,1,0,0,0,0|1,0,1]=3 885 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,1,0,0,0,0|1,1,1]=4 886 B8R0.7 CC(S)COCCCF 1229d17f0ba7624aa77ee6d4b579a426 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.7 CC(S)COCCCS 94410c03f092028f1e752124b10b39f6 [0,1,0,0,0,0|1,1,1]=4 888 B8R0.7 CC/C=C/COC(C)C d67b04cdb3ee857cf285217420b83c9a [0,1,0,0,0,0|2,0,0]=3 889 B8R0.7 CC/C=C\COC(C)C 1eaca156f92510db32152c3a8502c92d [0,1,0,0,0,0|2,0,0]=3 890 B8R0.7 CC=CCNCC(C)O 3355a6f27ac95da3103ef606509bbc54 [0,1,0,0,0,0|1,0,2]=4 891 B8R0.7 CC=CCNC[C@@H](C)O bb14a2a5b0f2f934973f50d6088143bf [0,1,0,0,0,0|1,0,2]=4 892 B8R0.7 CC=CCNC[C@H](C)O a80e401a4fa769c8d578a7424ece8141 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [0,1,0,0,0,0|2,0,1]=4 894 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,1,0,0,0,0|2,0,1]=4 895 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [0,1,0,0,0,0|2,0,1]=4 896 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,1,0,0,0,0|1,0,2]=4 897 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,1,0,0,0,0|1,0,2]=4 898 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,1,0,0,0,0|1,0,2]=4 899 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [0,1,0,0,0,0|2,0,1]=4 900 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [0,1,0,0,0,0|2,0,1]=4 901 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [0,1,0,0,0,0|2,0,1]=4 904 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,0,0,0,0|1,0,2]=4 905 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [0,1,0,0,0,0|2,0,1]=4 906 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,1,0,0,0,0|1,0,1]=3 907 B8R0.7 CCCNCCC(F)F 06bc8dd7195781c8fa8e64160537904c [0,1,0,0,0,0|2,0,1]=4 908 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,1,0,0,0,0|2,0,1]=4 909 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,1,0,0,0,0|1,0,1]=3 910 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,1,0,0,0,0|1,0,1]=3 911 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,0,0,0,0|1,0,2]=4 912 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.7 CCCOCCC(F)F c238cb362dacb265d2fe0fdc1ac7cda2 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,1,0,0,0,0|1,0,2]=4 915 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,1,0,0,0,0|2,0,1]=4 919 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.7 CN(C)CNCCCO b9383588f6977f4de542d2f93d3da9b2 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,1,0,0,0,0|2,0,1]=4 923 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,1,0,0,0,0|2,0,1]=4 924 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,1,0,0,0,0|2,0,1]=4 925 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,1,0,0,0,0|2,0,1]=4 927 B8R0.7 C[C@@H](F)COCCCF 8805caf11ad5173a48da127f306cfd46 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.7 C[C@@H](F)COCCCS 52a73dcf003de152a94ea23565833dab [0,1,0,0,0,0|1,1,1]=4 929 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,1,0,0,0,0|2,0,1]=4 930 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,1,0,0,0,0|1,0,2]=4 931 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,1,0,0,0,0|2,0,1]=4 933 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,1,0,0,0,0|1,0,1]=3 935 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,1,0,0,0,0|1,1,1]=4 936 B8R0.7 C[C@H](F)COCCCF 1d700dd3528aa4704e235d13af34ba12 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.7 C[C@H](F)COCCCS 5c5cb3ef07f9bf5feab54c6a3593d0af [0,1,0,0,0,0|1,1,1]=4 938 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,1,0,0,0,0|2,0,1]=4 939 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,1,0,0,0,0|1,0,2]=4 940 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,1,0,0,0,0|2,0,1]=4 941 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,1,0,0,0,0|2,0,1]=4 942 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,1,0,0,0,0|1,0,1]=3 944 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,1,0,0,0,0|1,1,1]=4 945 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.7 OCCCNCC(F)F f30d0f1fb00ca8a3ad6293d94c8c9e69 [0,1,0,0,0,0|2,0,1]=4 948 B8R1.2 CCN1CC=CCC1 0dfc6382e2eb71bb203dc8f8c11fc3a7 [0,0,0,1,0,0|2,0,0]=3 949 B8R1.2 FCN1CC=CCC1 401ca9aa2f450f72776a775dc9b905eb [0,0,0,1,0,0|2,0,0]=3 950 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,0,0,1,0,0|1,0,2]=4 951 B8R1.2 OCN1CC=CCC1 62ece6a5f9d8ed840fd2002de05e26aa [0,0,0,1,0,0|1,0,0]=2 952 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,0,0,1,0,0|2,0,1]=4 953 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,0,0,1,0,0|2,0,1]=4 954 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,0,0,1,0,0|2,0,1]=4 955 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,0,0,1,0,0|2,0,1]=4 956 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,1,0,0|2,0,1]=4 957 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,0,1,0,0|2,0,0]=3 958 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|2,0,1]=4 959 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,0,1,0,0|1,0,1]=3 960 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,0,0,1,0,0|2,0,0]=3 961 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,0,0,1,0,0|2,0,1]=4 962 B8R1.8 OCCN1CC=CC1 d8348ec800744cd0d63d462c0c3539da [0,0,0,1,0,0|1,0,2]=4 963 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,0,0,1,0,0|2,0,1]=4 964 B8R1.8 OCNC1CC=CC1 9c22df50844f066c11f1cd68877452aa [0,0,0,1,0,0|1,0,2]=4 965 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,1,0,0|1,0,2]=4 966 B8R1.8 OCNC1CCOC1 2fc8497bfce18cddcd2256e4a71178b1 [0,0,0,1,0,0|2,0,1]=4 967 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,0,0,1,0,0|2,0,1]=4 968 B8R1.8 OCN[C@@H]1CCOC1 6debdc226aca736be6aa7594d0bc0c90 [0,0,0,1,0,0|2,0,1]=4 969 B8R1.8 OCN[C@H]1CCOC1 30751a1a06fdde461d2f17b22a6d40ea [0,0,0,1,0,0|2,0,1]=4 970 B8R1.9 CC1CC1NCCO 4cde00481925a0824f1034e8ce0d4ec3 [0,0,0,1,0,0|1,0,2]=4 971 B8R1.9 CCCNC1CC1C 0a698bf1fb13624ef2e48e54bc092aff [0,0,0,1,0,0|2,0,1]=4 972 B8R1.9 CCCN[C@@H]1C[C@H]1F 07aa43c95c9d08f0ae29dc5e4bcc3889 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.9 CCCN[C@H]1C[C@@H]1F 55532eeca14849d15f8451fb735a56a4 [0,0,0,1,0,0|2,0,1]=4 974 B8R1.9 CCCN[C@H]1C[C@H]1F 945c58902ae8fb488078f3a1433cf7d9 [0,0,0,1,0,0|2,0,1]=4 975 B8R1.9 CCOCC1CC1C a1ad259ec9fec6cbcfa8781679544c1d [0,0,0,1,0,0|2,0,1]=4 976 B8R1.9 CCOC[C@@H]1C[C@@H]1C 4ce6bf2d2de734fe8f28315de3f63974 [0,0,0,1,0,0|2,0,1]=4 977 B8R1.9 CCOC[C@@H]1C[C@@H]1F db758449eba7d2e7e36821e031da9137 [0,0,0,1,0,0|2,0,1]=4 978 B8R1.9 CCOC[C@@H]1C[C@H]1C f1e8faba0bc503df2acdbd86da05c1cd [0,0,0,1,0,0|2,0,1]=4 979 B8R1.9 CCOC[C@@H]1C[C@H]1F a4da9189be2096295421277fd4558e25 [0,0,0,1,0,0|2,0,1]=4 980 B8R1.9 CCOC[C@H]1C[C@@H]1C d0e5d8760a155c6ca9b44bd743e35a53 [0,0,0,1,0,0|2,0,1]=4 981 B8R1.9 CCOC[C@H]1C[C@@H]1F 5f54e7028448009590800dc65a5252c0 [0,0,0,1,0,0|2,0,1]=4 982 B8R1.9 CCOC[C@H]1C[C@H]1F a0dc68094174f3a27ca99829c0ae9c07 [0,0,0,1,0,0|2,0,1]=4 983 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,0,0,1,0,0|2,0,1]=4 984 B8R1.10 CCCNC1CCC1 0d5b8030ddd2a1e07521f601d888db58 [0,0,0,1,0,0|2,0,1]=4 985 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [0,0,0,1,0,0|2,0,1]=4 986 B8R1.10 CCNCC1CCC1 51789aa8cde681373936f52aa711708a [0,0,0,1,0,0|2,0,1]=4 987 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,0,0,1,0,0|1,0,1]=3 988 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,0,0,1,0,0|1,0,1]=3 989 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,0,0,1,0,0|1,0,1]=3 990 B8R1.10 CCOCC1CCC1 d50b1f59edc7cd2c85ebc568d9e5d0da [0,0,0,1,0,0|2,0,1]=4 991 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,0,0,1,0,0|1,0,1]=3 992 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,0,0,1,0,0|1,0,1]=3 993 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,0,0,1,0,0|1,0,1]=3 994 B8R1.10 FCCCN1CCC1 ce9883ed98348c3043ca281e3aae0921 [0,0,0,1,0,0|2,0,1]=4 995 B8R1.10 FCNCC1CCO1 8a7b70390361153407991f19d28b8f0e [0,0,0,1,0,0|2,0,1]=4 996 B8R1.10 FCNC[C@@H]1CCO1 1f782474e7be23704762359160df4f7b [0,0,0,1,0,0|2,0,1]=4 997 B8R1.10 FCNC[C@H]1CCO1 28bf090b6360c4605c078dd8002cbc9f [0,0,0,1,0,0|2,0,1]=4 998 B8R1.10 FCOCC1CCO1 c27fe081bf2dfc17ce2bf4e621c4fc43 [0,0,0,1,0,0|2,0,1]=4 999 B8R1.10 FCOC[C@@H]1CCO1 fcfe2cd8646a0e463eaddec5bfa63be3 [0,0,0,1,0,0|2,0,1]=4 1000 B8R1.10 FCOC[C@H]1CCO1 94e16fdf17b70d6847760c0547fca05b [0,0,0,1,0,0|2,0,1]=4 1001 B8R1.10 OCCCN1CCC1 9c6f6bdabd0b2602126e7a24b406e0df [0,0,0,1,0,0|1,0,1]=3 1002 B8R1.10 OCCNC1CCC1 5fc98dae4c4d961193ac3b840bca29d5 [0,0,0,1,0,0|1,0,2]=4 1003 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,0,0,1,0,0|1,0,2]=4 1004 B8R1.10 OCNCC1CCO1 7a110527d20698bde50f934bce3d4932 [0,0,0,1,0,0|2,0,1]=4 1005 B8R1.10 OCNC[C@@H]1CCO1 b20041b30672ace5c27bbb9dda06cfc8 [0,0,0,1,0,0|2,0,1]=4 1006 B8R1.10 OCNC[C@H]1CCO1 fcef914adea36da0d3a6586531fd1531 [0,0,0,1,0,0|2,0,1]=4 1007 B8R1.10 SCCCN1CCC1 9eb969adee9e410d06ebfdbf71b456b3 [0,0,0,1,0,0|1,1,1]=4 1008 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,0,0,1,0,0|1,0,2]=4 1009 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,0,0,1,0,0|2,0,1]=4 1010 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,0,0,1,0,0|2,0,1]=4 1011 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,0,0,1,0,0|1,0,1]=3 1012 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,0,0,1,0,0|2,0,1]=4 1013 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,0,0,1,0,0|2,0,1]=4 1014 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,0,0,1,0,0|1,0,2]=4 1015 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,0,0,1,0,0|1,0,2]=4 1016 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,0,0,1,0,0|2,0,1]=4 1017 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,0,0,1,0,0|2,0,1]=4 1018 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,0,0,1,0,0|2,0,1]=4 1019 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,0,0,1,0,0|1,0,2]=4 1020 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,0,0,1,0,0|1,0,1]=3 1021 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,0,0,1,0,0|1,0,1]=3 1022 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,0,0,1,0,0|1,0,1]=3 1023 B8R1.12 OCC1CCN1CF 54c9da261877e12e7953220dc99ac886 [0,0,0,1,0,0|2,0,1]=4 1024 B8R1.12 OCC1CCN1CO 6f5999e2d6210a45899e16922fbbca8c [0,0,0,1,0,0|2,0,1]=4 1025 B8R1.12 OC[C@@H]1CCN1CF 3ace3005e70dcc5f7c624bd2ca1ff323 [0,0,0,1,0,0|2,0,1]=4 1026 B8R1.12 OC[C@@H]1CCN1CO a558872b42b196932e71111ad2bff9a1 [0,0,0,1,0,0|2,0,1]=4 1027 B8R1.12 OC[C@H]1CCN1CF ad8d3d64cf5f70e33b7fd74857a35e0d [0,0,0,1,0,0|2,0,1]=4 1028 B8R1.12 OC[C@H]1CCN1CO 340168ce4e6427066968812c13eb91da [0,0,0,1,0,0|2,0,1]=4 1029 B8R1.13 CC1OCC1NCO 9cfb96188a625e9112cbf03494a5058b [0,0,0,1,0,0|2,0,1]=4 1030 B8R1.13 CCNC1CCC1F 1ca365aa3a03dba2f96f4cadc68f780e [0,0,0,1,0,0|2,0,1]=4 1031 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,0,0,1,0,0|1,0,1]=3 1032 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,0,0,1,0,0|1,0,1]=3 1033 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,0,0,1,0,0|2,0,1]=4 1034 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,0,0,1,0,0|1,0,1]=3 1035 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,0,0,1,0,0|1,0,1]=3 1036 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,0,0,1,0,0|2,0,1]=4 1037 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,0,0,1,0,0|1,0,1]=3 1038 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,0,0,1,0,0|1,0,2]=4 1039 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,0,0,1,0,0|1,0,2]=4 1040 B8R1.13 OC1CCC1NCF b320b59951a819bfc693c51a37952e97 [0,0,0,1,0,0|2,0,1]=4 1041 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,0,0,1,0,0|2,0,1]=4 1042 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,0,0,1,0,0|2,0,1]=4 1043 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,0,0,1,0,0|2,0,1]=4 1044 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,0,0,1,0,0|2,0,1]=4 1045 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,0,0,1,0,0|2,0,1]=4 1046 B8R1.13 O[C@@H]1CC[C@@H]1NCF 437862ba8a6df6499db07eb305b6d757 [0,0,0,1,0,0|2,0,1]=4 1047 B8R1.13 O[C@@H]1CC[C@H]1NCF 83e31482881d268ada4c36f4b73cc8bb [0,0,0,1,0,0|2,0,1]=4 1048 B8R1.13 O[C@H]1CC[C@@H]1NCF 32b667547a5ff1b6f8a6aeb3abe14559 [0,0,0,1,0,0|2,0,1]=4 1049 B8R1.13 O[C@H]1CC[C@H]1NCF 29979674e8e1b6655ef0cde04d2ff86e [0,0,0,1,0,0|2,0,1]=4 1050 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,0,0,1,0,0|1,0,1]=3 1051 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,0,0,1,0,0|1,0,1]=3 1052 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,0,0,1,0,0|1,0,1]=3 1053 B8R1.17 OCN[C@@H]1C[C@H]1CO dfd1f2f4720fb386f808224509a99e79 [0,0,0,1,0,0|2,0,1]=4 1054 B8R1.17 OCN[C@H]1C[C@@H]1CO b4600a15b77b7b63fe0eb5951c7ac675 [0,0,0,1,0,0|2,0,1]=4 1055 B8R1.17 OCN[C@H]1C[C@H]1CO f5d2f40975aadac98e3309989c876b60 [0,0,0,1,0,0|2,0,1]=4 1056 B8R1.17 OC[C@@H]1C[C@@H]1NCF 71b7419e2d0069d2259b2cbda31d9782 [0,0,0,1,0,0|2,0,1]=4 1057 B8R1.17 OC[C@@H]1C[C@H]1NCF 5322e39e84824b63d0219ad41257c201 [0,0,0,1,0,0|2,0,1]=4 1058 B8R1.17 OC[C@H]1C[C@@H]1NCF b78b807e5ee5859e1e9b98795078a748 [0,0,0,1,0,0|2,0,1]=4 1059 B8R1.36 CCCCNC1CC1 764bf1f8d84e4797d549516a157f8bac [0,0,0,1,0,0|2,0,1]=4 1060 B8R1.36 CCCCOC1CC1 b14c6fcb6c68d146170e866704fcb560 [0,0,0,1,0,0|2,0,1]=4 1061 B8R1.36 CCCNCC1CC1 f3b3545bffc9f73f028676bee3a097f9 [0,0,0,1,0,0|2,0,1]=4 1062 B8R1.36 CCCOCC1CC1 97e988fcebd27b4b9691b615e5b007d8 [0,0,0,1,0,0|2,0,1]=4 1063 B8R1.36 CCNCCC1CC1 c403e5d19efa9bd3bd9474a55fa91f77 [0,0,0,1,0,0|2,0,1]=4 1064 B8R1.36 CCOCCC1CC1 fc916bef9b2390c47f74a3ae85c46af3 [0,0,0,1,0,0|2,0,1]=4 1065 B8R1.36 ClCCCNC1CC1 fcdebdf08b4bbef8702139d487bccf3c [0,0,0,1,0,0|2,0,1]=4 1066 B8R1.36 FCCCNC1CC1 4329b3a22c74fcf1c83456d06be8011d [0,0,0,1,0,0|2,0,1]=4 1067 B8R1.36 FCCCOC1CC1 bb339c263ecd231d95ac2857b20ce9e1 [0,0,0,1,0,0|2,0,1]=4 1068 B8R1.36 OCCCNC1CC1 09931d07909b5768c57fdc7cacffbc09 [0,0,0,1,0,0|1,0,1]=3 1069 B8R1.36 OCCNCC1CC1 e183fb3059537384ed4e22fe2e99ba8b [0,0,0,1,0,0|1,0,2]=4 1070 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,0,0,1,0,0|1,0,2]=4 1071 B8R1.36 OCNCCN1CC1 1e079d207f2aca4c808ddaac4239bf20 [0,0,0,1,0,0|2,0,1]=4 1072 B8R1.36 SCCCNC1CC1 ac16d26ee266b0421f9c1ad8179c0c06 [0,0,0,1,0,0|1,1,1]=4 1073 B8R1.36 SCCCOC1CC1 1939a9925ba22e18c2a17bb309b3e238 [0,0,0,1,0,0|1,1,1]=4 1074 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|2,0,0]=4 1075 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,0]=3 1076 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 1077 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,0]=3 1078 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|1,0,0]=3 1079 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|2,0,0]=4 1080 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 1081 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 1082 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 1083 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,0]=3 1084 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,1,0]=4 1085 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|2,0,0]=4 1086 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|1,1,0]=4 1087 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|2,0,0]=4 1088 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|2,0,0]=4 1089 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [2,0,0,0,0,0|2,0,0]=4 1090 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [2,0,0,0,0,0|2,0,0]=4 1091 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [2,0,0,0,0,0|2,0,0]=4 1092 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [2,0,0,0,0,0|2,0,0]=4 1093 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [2,0,0,0,0,0|2,0,0]=4 1094 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [2,0,0,0,0,0|2,0,0]=4 1095 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [1,1,0,0,0,0|2,0,0]=4 1096 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [1,1,0,0,0,0|2,0,0]=4 1097 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [1,1,0,0,0,0|1,0,1]=4 1098 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [1,1,0,0,0,0|2,0,0]=4 1099 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [1,1,0,0,0,0|2,0,0]=4 1100 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [1,1,0,0,0,0|2,0,0]=4 1101 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [1,1,0,0,0,0|2,0,0]=4 1102 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [1,1,0,0,0,0|2,0,0]=4 1103 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [1,1,0,0,0,0|2,0,0]=4 1104 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|1,0,0]=3 1106 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,1,0,0,0,0|1,1,0]=4 1107 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [1,1,0,0,0,0|1,0,1]=4 1111 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|1,0,0]=3 1113 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|2,0,0]=4 1115 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,1,0,0,0,0|1,0,1]=4 1117 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [1,1,0,0,0,0|1,0,1]=4 1120 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,1,0,0,0,0|1,0,1]=4 1121 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [1,1,0,0,0,0|1,0,1]=4 1122 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|1,0,1]=4 1123 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|1,0,1]=4 1124 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [1,1,0,0,0,0|2,0,0]=4 1126 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [1,1,0,0,0,0|1,0,0]=3 1127 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [1,1,0,0,0,0|1,1,0]=4 1128 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [1,1,0,0,0,0|1,0,0]=3 1131 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [1,1,0,0,0,0|1,0,0]=3 1132 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [1,1,0,0,0,0|1,0,1]=4 1133 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [1,1,0,0,0,0|1,0,1]=4 1135 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [1,1,0,0,0,0|1,0,0]=3 1136 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [1,1,0,0,0,0|1,0,0]=3 1137 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [1,1,0,0,0,0|1,0,0]=3 1138 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [1,1,0,0,0,0|1,0,0]=3 1139 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [1,1,0,0,0,0|1,0,1]=4 1140 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [1,1,0,0,0,0|1,0,0]=3 1141 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|1,0,1]=4 1142 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|1,0,1]=4 1144 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [1,1,0,0,0,0|1,1,0]=4 1146 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|1,0,1]=4 1147 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|1,0,1]=4 1148 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,1,0,0,0,0|1,0,1]=4 1149 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [1,1,0,0,0,0|1,0,1]=4 1150 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,1,0,0,0,0|1,0,1]=4 1152 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,1,0,0,0,0|2,0,0]=4 1153 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [1,1,0,0,0,0|2,0,0]=4 1154 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [1,1,0,0,0,0|2,0,0]=4 1155 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [1,1,0,0,0,0|2,0,0]=4 1156 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [1,1,0,0,0,0|2,0,0]=4 1157 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [1,1,0,0,0,0|2,0,0]=4 1158 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [1,1,0,0,0,0|2,0,0]=4 1160 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [1,1,0,0,0,0|2,0,0]=4 1161 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|2,0,0]=4 1162 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [1,1,0,0,0,0|2,0,0]=4 1163 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [1,1,0,0,0,0|2,0,0]=4 1164 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [1,1,0,0,0,0|2,0,0]=4 1165 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [1,1,0,0,0,0|2,0,0]=4 1166 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [1,1,0,0,0,0|2,0,0]=4 1167 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [1,1,0,0,0,0|2,0,0]=4 1168 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [1,1,0,0,0,0|2,0,0]=4 1169 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [1,1,0,0,0,0|2,0,0]=4 1170 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [1,1,0,0,0,0|2,0,0]=4 1171 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [1,1,0,0,0,0|2,0,0]=4 1172 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [1,1,0,0,0,0|2,0,0]=4 1173 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [1,1,0,0,0,0|2,0,0]=4 1174 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [1,1,0,0,0,0|2,0,0]=4 1175 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [1,1,0,0,0,0|2,0,0]=4 1176 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [1,1,0,0,0,0|2,0,0]=4 1177 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [1,1,0,0,0,0|2,0,0]=4 1178 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [1,1,0,0,0,0|2,0,0]=4 1179 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [1,1,0,0,0,0|2,0,0]=4 1180 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.4 C/C(=C/COCF)/Cl ccb17a4eecc3091faafab504472f0bc7 [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.4 C/C(=C/COCF)/I 3c1d6b60b36a518dc432453d68bfeeb4 [1,1,0,0,0,0|2,0,0]=4 1184 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [1,1,0,0,0,0|2,0,0]=4 1185 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [1,1,0,0,0,0|1,0,1]=4 1187 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,1,0,0,0,0|1,0,1]=4 1188 B7R0.4 CC(=CCNCF)C 3984891f07cfe78b7ee7bd273d4f999d [1,1,0,0,0,0|2,0,0]=4 1189 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [1,1,0,0,0,0|1,0,0]=3 1190 B7R0.4 CC(=CCOCF)C c25b592aef4d9f50b5494c475de951b8 [1,1,0,0,0,0|2,0,0]=4 1191 B7R0.4 CC(=CCOCF)I ba2122f4ea4634e790cdf077ca544e33 [1,1,0,0,0,0|2,0,0]=4 1192 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|1,0,1]=4 1193 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|2,0,0]=4 1194 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|1,0,0]=3 1195 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [1,1,0,0,0,0|1,0,1]=4 1196 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [1,1,0,0,0,0|1,0,1]=4 1197 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [1,1,0,0,0,0|1,0,0]=3 1199 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [1,1,0,0,0,0|2,0,0]=4 1200 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [1,1,0,0,0,0|1,1,0]=4 1201 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,1,0,0,0,0|2,0,0]=4 1202 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [1,1,0,0,0,0|2,0,0]=4 1203 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [1,1,0,0,0,0|1,0,1]=4 1204 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [1,1,0,0,0,0|1,0,1]=4 1205 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [1,1,0,0,0,0|2,0,0]=4 1206 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|2,0,0]=4 1208 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,1,0,0,0,0|1,0,1]=4 1209 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|1,0,1]=4 1210 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [1,1,0,0,0,0|1,0,1]=4 1211 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,1,0,0,0,0|1,0,1]=4 1212 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,1,0,0,0,0|1,0,1]=4 1213 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,1,0,0,0,0|1,0,1]=4 1214 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,1,0,0,0,0|1,0,1]=4 1215 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [1,1,0,0,0,0|1,0,1]=4 1216 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,1,0,0,0,0|1,0,1]=4 1217 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [1,1,0,0,0,0|1,0,1]=4 1218 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [1,1,0,0,0,0|1,0,1]=4 1219 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|1,0,1]=4 1221 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,1,0,0,0,0|1,0,1]=4 1222 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|1,0,0]=3 1223 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [1,1,0,0,0,0|2,0,0]=4 1224 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|2,0,0]=4 1225 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|1,0,0]=3 1226 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|1,0,0]=3 1227 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,1,0,0,0,0|2,0,0]=4 1228 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,1,0,0,0,0|2,0,0]=4 1229 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,1,0,0,0,0|2,0,0]=4 1230 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,1,0,0,0,0|2,0,0]=4 1231 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|1,0,1]=4 1232 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,1]=4 1233 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [1,1,0,0,0,0|2,0,0]=4 1234 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,1,0,0,0,0|2,0,0]=4 1235 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [1,1,0,0,0,0|2,0,0]=4 1236 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [1,1,0,0,0,0|1,0,1]=4 1237 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [1,1,0,0,0,0|1,0,1]=4 1238 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,1,0,0,0,0|2,0,0]=4 1239 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [1,1,0,0,0,0|2,0,0]=4 1240 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,1,0,0,0,0|2,0,0]=4 1243 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [1,1,0,0,0,0|2,0,0]=4 1244 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [1,1,0,0,0,0|2,0,0]=4 1245 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [1,1,0,0,0,0|2,0,0]=4 1246 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [1,1,0,0,0,0|2,0,0]=4 1247 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,1,0,0,0,0|2,0,0]=4 1248 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [1,1,0,0,0,0|2,0,0]=4 1249 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,1,0,0,0,0|1,0,0]=3 1250 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [1,1,0,0,0,0|2,0,0]=4 1251 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [1,1,0,0,0,0|1,0,1]=4 1252 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [1,1,0,0,0,0|1,0,1]=4 1255 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [1,1,0,0,0,0|1,0,1]=4 1256 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|1,0,1]=4 1257 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [1,1,0,0,0,0|1,0,1]=4 1258 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [1,1,0,0,0,0|1,0,1]=4 1259 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [1,1,0,0,0,0|1,0,0]=3 1261 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [1,1,0,0,0,0|1,0,0]=3 1262 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [1,1,0,0,0,0|1,0,0]=3 1263 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [1,1,0,0,0,0|2,0,0]=4 1266 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [1,1,0,0,0,0|2,0,0]=4 1267 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [1,1,0,0,0,0|2,0,0]=4 1269 B9R0.4 C/C(=C/C(=O)NCCO)/Cl 40f5466b67b8f9fc01fc08f6f261e67f [0,2,0,0,0,0|1,0,1]=4 1270 B9R0.4 C/C(=C/C(=O)NCCO)/I 2226dbd628d95d8d176acb3bc6ec5ef8 [0,2,0,0,0,0|1,0,1]=4 1271 B9R0.4 C/C(=C\C(=O)NCCO)/Cl 07f16562dd71d0d14ff571d7a6c295d2 [0,2,0,0,0,0|1,0,1]=4 1272 B9R0.4 CC(=CC(=O)NCCO)C 6d8931ddce12f00e066bf0dc6f23dce3 [0,2,0,0,0,0|1,0,1]=4 1273 B9R0.4 CC(=CC(=O)NCCO)I e9b61b515fbc795e183654dd907e90bb [0,2,0,0,0,0|1,0,1]=4 1274 B9R0.4 CC(C)CC(=O)NCCO 6c715f945a2b8842828200acbf60538e [0,2,0,0,0,0|1,0,1]=4 1275 B9R0.4 CC(C)CN(C)CCCO a3390a81b756bb175031c22e66ed4898 [0,2,0,0,0,0|1,0,1]=4 1276 B9R0.4 CC(C)NC(=O)CNCO 2b7fcb85b750470effe64e00fc06dd1e [0,2,0,0,0,0|2,0,0]=4 1277 B9R0.4 CC(C)NC(C)CCCO bf77497f2a8a40451cf54c9eafa8738e [0,2,0,0,0,0|1,0,1]=4 1278 B9R0.4 CC(C)N[C@H](C)CCCO e802784ad95e8e2a28860518878c3271 [0,2,0,0,0,0|1,0,1]=4 1279 B9R0.4 CC(O)CC(=O)NCCO 859a0f6b2813ebb22709a20a11ef68f4 [0,2,0,0,0,0|1,0,1]=4 1280 B9R0.4 CC(O)CN(C)CCCO a3b6de3530c924b1d4439c28cd8f36bc [0,2,0,0,0,0|1,0,1]=4 1281 B9R0.4 CCCNC(C)CC(C)O 98aedfcb0c4404029eedc1338854ce8c [0,2,0,0,0,0|1,0,1]=4 1282 B9R0.4 C[C@@H](O)CC(=O)NCCO e706ccfcca3ab825e8ef1abe6c510a65 [0,2,0,0,0,0|1,0,1]=4 1283 B9R0.4 C[C@@H](O)CN(C)CCCO 6f9361b2a4eab704b2db82e7d048b49b [0,2,0,0,0,0|1,0,1]=4 1284 B9R0.4 C[C@H](O)CC(=O)NCCO d5a139c3bfb8313edb0b04fbe3c45daa [0,2,0,0,0,0|1,0,1]=4 1285 B9R0.4 C[C@H](O)CN(C)CCCO 964f36d6f263cd80ac1d70d47ccc4d08 [0,2,0,0,0,0|1,0,1]=4 1286 B9R0.5 C#CCC(=O)NCCCO 6e00675fcfebad6848d8b5a64650dc45 [0,2,0,0,0,0|1,0,1]=4 1287 B9R0.5 C#CCN(C)C/C=C/CC 080ff1f53ff1f8bfa7c5790c529bf812 [0,2,0,0,0,0|1,0,1]=4 1288 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,2,0,0,0,0|1,0,1]=4 1289 B9R0.5 C/C=C/C(=O)NCCCCl 72ebced048e65361aa0416f80fde7cde [0,2,0,0,0,0|1,0,1]=4 1290 B9R0.5 C/C=C/C(=O)NCCCO 7adefb77f361f1e215c63db1f5ca0742 [0,2,0,0,0,0|0,0,1]=3 1291 B9R0.5 C/C=C/C(=O)NCCOC 6e391f6495435144a973ce8834e3945b [0,2,0,0,0,0|1,0,1]=4 1292 B9R0.5 C/C=C/C(=O)NCCON f85b473c83f9b7764e5f3a65f4e3591f [0,2,0,0,0,0|1,0,1]=4 1293 B9R0.5 C/C=C/CNC(C)CCO 9be3652c30562600106e0ec1f0492fe2 [0,2,0,0,0,0|0,0,2]=4 1294 B9R0.5 C/C=C/CN[C@@H](C)CCO 824b017c51b9576ff10ff20008e692b6 [0,2,0,0,0,0|0,0,2]=4 1295 B9R0.5 C/C=C/CN[C@H](C)CCO 962a0782bcf96599e95900e697a48640 [0,2,0,0,0,0|0,0,2]=4 1296 B9R0.5 C/C=C\CNC(C)CCO 0a73bfeb733b3d4c0ca768a1559c12f2 [0,2,0,0,0,0|0,0,2]=4 1297 B9R0.5 C/C=C\CN[C@@H](C)CCO 18d726009cc7b841bf1566a9dd590298 [0,2,0,0,0,0|0,0,2]=4 1298 B9R0.5 C/C=C\CN[C@H](C)CCO 970120958ec0b5067d7fd2d38e721779 [0,2,0,0,0,0|0,0,2]=4 1299 B9R0.5 C=CCC(=O)NCCCO 33b033a5e7408a69408e80eb1ac7ce28 [0,2,0,0,0,0|1,0,1]=4 1300 B9R0.5 C=CCN(C)C/C=C/CC d0c2e4860166f23f63dbd0dfd7bafacf [0,2,0,0,0,0|1,0,1]=4 1301 B9R0.5 CC#CC(=O)NCCCO f38ed9ce9dfbbc2e5e15d23111a85583 [0,2,0,0,0,0|0,0,2]=4 1302 B9R0.5 CC(CCO)CNCCF c5626f7bc360715d7893a6788200129c [0,2,0,0,0,0|1,0,1]=4 1303 B9R0.5 CC(CCO)CNCCO 502bb1e8584e1485b6de92325ec1e5cc [0,2,0,0,0,0|1,0,1]=4 1304 B9R0.5 CC(CCO)CNCCS 751b7f9fa712b32522dda9e3430ce117 [0,2,0,0,0,0|1,0,1]=4 1305 B9R0.5 CC(CCO)NCCCCl 3b3b38d997c91d3791879582bd042ad8 [0,2,0,0,0,0|1,0,1]=4 1306 B9R0.5 CC(CCO)NCCCF 41aac068e7a4d471a8a3e7f46ccd56c1 [0,2,0,0,0,0|1,0,1]=4 1307 B9R0.5 CC(CCO)NCCCO 1becfeb7b0589e048c0b36577d80a14e [0,2,0,0,0,0|1,0,1]=4 1308 B9R0.5 CC(CCO)NCCCS 660c8ca7a16781d648bafad85dbe5992 [0,2,0,0,0,0|1,0,1]=4 1309 B9R0.5 CC/C=C/CN(C)CC#N 5f1cb3c960912b570a45c0fab1dfefa0 [0,2,0,0,0,0|1,0,1]=4 1310 B9R0.5 CC/C=C/CN(C)CCC 5cadca3b8992f79080a976cf8743c05c [0,2,0,0,0,0|1,0,0]=3 1311 B9R0.5 CC/C=C/CN(C)CCF 74918c4478eae46442f87dbeb5480363 [0,2,0,0,0,0|1,0,0]=3 1312 B9R0.5 CC/C=C/CN(C)CCO 667390f866a9bdc0dd57eb2515bb8f8d [0,2,0,0,0,0|0,0,0]=2 1313 B9R0.5 CC=CCNC(C)CCO a95ea6b71932fc425e54c9cccdeeafab [0,2,0,0,0,0|0,0,2]=4 1314 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [0,2,0,0,0,0|1,0,1]=4 1315 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [0,2,0,0,0,0|1,0,1]=4 1316 B9R0.5 CCCC(=O)CNCCI e6c431c6a36f932e7e7bd540be83f7d4 [0,2,0,0,0,0|1,0,1]=4 1317 B9R0.5 CCCC(=O)CNCCO 19eaae24439cf65d8d2d752c6a63c8d7 [0,2,0,0,0,0|0,0,1]=3 1318 B9R0.5 CCCC(=O)CNCCS 1dd21d52255aa998e3f67c462a833edf [0,2,0,0,0,0|0,1,1]=4 1319 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [0,2,0,0,0,0|1,0,1]=4 1320 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [0,2,0,0,0,0|0,1,1]=4 1321 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [0,2,0,0,0,0|1,0,1]=4 1322 B9R0.5 CCCC(=O)NCCCCl f1d9e9d02a2632caa1296262930794c7 [0,2,0,0,0,0|1,0,1]=4 1323 B9R0.5 CCCC(=O)NCCCO 592c3668cf1954e32eae53f9d9310fe4 [0,2,0,0,0,0|0,0,1]=3 1324 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [0,2,0,0,0,0|1,0,1]=4 1325 B9R0.5 CCCC(=O)NCCON 2667b617ce33939f360a2d9f69c758c4 [0,2,0,0,0,0|1,0,1]=4 1326 B9R0.5 CCCC(=S)OCCCF 656dc88ae36c655edad34b161382f41a [0,2,0,0,0,0|1,0,1]=4 1327 B9R0.5 CCCC(=S)OCCCS 23b64448f461e9f987487e187aec0d4a [0,2,0,0,0,0|0,1,1]=4 1328 B9R0.5 CCCC(=S)OCCOC d3db63e9a9ba0e487e0033504dd762c1 [0,2,0,0,0,0|1,0,1]=4 1329 B9R0.5 CCCC(C)CNCCO 3bc26c15d8ec8db27660e3919bc41d54 [0,2,0,0,0,0|0,0,2]=4 1330 B9R0.5 CCCC(C)NCCCO f622547af18556e616e7380ad9ee1969 [0,2,0,0,0,0|0,0,2]=4 1331 B9R0.5 CCCC(O)CNCCO d1eee4b251f066db3df0bab92085c28a [0,2,0,0,0,0|0,0,2]=4 1332 B9R0.5 CCCCCC(C)NCO 79997f757bd22c3676dd0e07aa87d23c [0,2,0,0,0,0|0,0,2]=4 1333 B9R0.5 CCCCCN(C)CCO 34410e1ec8513358afcc09dffe161858 [0,2,0,0,0,0|0,0,2]=4 1334 B9R0.5 CCCCC[C@H](C)NCO dadd1abcf3546c9c0b9e976ac187033b [0,2,0,0,0,0|0,0,2]=4 1335 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [0,2,0,0,0,0|1,0,1]=4 1336 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [0,2,0,0,0,0|2,0,0]=4 1337 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [0,2,0,0,0,0|2,0,0]=4 1338 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [0,2,0,0,0,0|2,0,0]=4 1339 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.5 CCCCNC(=O)CSC fd9e07d4285a6169aceb5bd025ecd890 [0,2,0,0,0,0|2,0,0]=4 1341 B9R0.5 CCCCNC(C)CCO 060a7a1335f70c0676cfbb86f416e991 [0,2,0,0,0,0|0,0,2]=4 1342 B9R0.5 CCCCN[C@@H](C)CCO cd3d50136741c2b9579e5ce175e949c5 [0,2,0,0,0,0|0,0,2]=4 1343 B9R0.5 CCCCN[C@H](C)CCO fc9bdedfd734c26acec6b6121aa8cb84 [0,2,0,0,0,0|0,0,2]=4 1344 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [0,2,0,0,0,0|1,0,1]=4 1345 B9R0.5 CCCN(C)CCCCO 3d32b13ab18b3ef9a88401c3421fd62f [0,2,0,0,0,0|0,0,2]=4 1346 B9R0.5 CCCN(C)CCCOC ad2eae02b2bb95cfc8387466db00f5d9 [0,2,0,0,0,0|1,0,1]=4 1347 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [0,2,0,0,0,0|1,0,1]=4 1348 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [0,2,0,0,0,0|2,0,0]=4 1349 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [0,2,0,0,0,0|2,0,0]=4 1350 B9R0.5 CCCNCC(C)CCO 47e0bbb51b8a79c96dd13c961ecc0dea [0,2,0,0,0,0|0,0,2]=4 1351 B9R0.5 CCCNCC(O)COC 5f738e26a93bd5e6157dfb0a62e3a620 [0,2,0,0,0,0|1,0,1]=4 1352 B9R0.5 CCCNC[C@@H](O)CCO 0911566ceb0cc95fa86b387a531110c6 [0,2,0,0,0,0|0,0,2]=4 1353 B9R0.5 CCCNC[C@H](O)COC 6fd1326b6f8389bef3955d38e292fd6f [0,2,0,0,0,0|1,0,1]=4 1354 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [0,2,0,0,0,0|1,0,1]=4 1355 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [0,2,0,0,0,0|2,0,0]=4 1356 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [0,2,0,0,0,0|2,0,0]=4 1357 B9R0.5 CCCOC[C@@H](O)CCO 8f4ac1d9a59c7be3b1d0e4ed72d56dee [0,2,0,0,0,0|0,0,2]=4 1358 B9R0.5 CCC[C@H](C)NCCCO b55f9f9c5d2b5585fcebd32b6ae9676f [0,2,0,0,0,0|0,0,2]=4 1359 B9R0.5 CCNC(=O)CNCCBr eba0f553ee6b07591a41e44f3a5aa8e2 [0,2,0,0,0,0|2,0,0]=4 1360 B9R0.5 CCNC(=O)CNCCF 0f5dd9d468b31da44c24ebb652eb530c [0,2,0,0,0,0|2,0,0]=4 1361 B9R0.5 CCNC(=O)CNCCI 90892e8fd08d23d8cb8012740b700d11 [0,2,0,0,0,0|2,0,0]=4 1362 B9R0.5 CCNC(=O)CNCCO 442a95bc56d02077e9b0f659a35d10bf [0,2,0,0,0,0|1,0,0]=3 1363 B9R0.5 CCNC(=O)CNCCS 336193fa38be46171431893753910df2 [0,2,0,0,0,0|1,1,0]=4 1364 B9R0.5 CCNC(=O)CNCOC 418fc9ea4e66286d14d012781355c640 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.5 CCNC(=O)COCCF 812c23840362a8ca0725db39d692bb07 [0,2,0,0,0,0|2,0,0]=4 1366 B9R0.5 CCNC(=O)COCCS 72830f9544a815a06bd3444d77122c12 [0,2,0,0,0,0|1,1,0]=4 1367 B9R0.5 CCNC(=O)COCOC f4b52e7b701729895cf1ba81b82493e5 [0,2,0,0,0,0|2,0,0]=4 1368 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [0,2,0,0,0,0|2,0,0]=4 1369 B9R0.5 CCNCCN(C)CCO 1ffc24ae71008401a26efb48c9fac007 [0,2,0,0,0,0|1,0,1]=4 1370 B9R0.5 CCOC(=O)CCNCF dc0e8e938f3e0f9376067101916fab11 [0,2,0,0,0,0|2,0,0]=4 1371 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [0,2,0,0,0,0|1,0,0]=3 1372 B9R0.5 CCOC(=O)CCOCF b923097280e6d745523067d0f7821723 [0,2,0,0,0,0|2,0,0]=4 1373 B9R0.5 CCOC(=O)CNCCBr 2d8ed3ea34766b7d343241f665b80229 [0,2,0,0,0,0|2,0,0]=4 1374 B9R0.5 CCOC(=O)CNCCF 99d39e110ac23618c63f1317b2282cce [0,2,0,0,0,0|2,0,0]=4 1375 B9R0.5 CCOC(=O)CNCCI 75072515d706cd5c15a349fb418110fa [0,2,0,0,0,0|2,0,0]=4 1376 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [0,2,0,0,0,0|1,0,0]=3 1377 B9R0.5 CCOC(=O)CNCCS 2d2d40dfd5cc8614b9490097a11bc9af [0,2,0,0,0,0|1,1,0]=4 1378 B9R0.5 CCOC(=O)CNCOC 3338587ded14e7c228302d0aec1db622 [0,2,0,0,0,0|2,0,0]=4 1379 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|2,0,0]=4 1380 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|1,1,0]=4 1381 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [0,2,0,0,0,0|2,0,0]=4 1382 B9R0.5 CCOC(C)CNCCO cd4f3682ea895747900fcd8122ea1a0d [0,2,0,0,0,0|1,0,1]=4 1383 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [0,2,0,0,0,0|2,0,0]=4 1384 B9R0.5 CCOCCN(C)CCO 7b0751b3c9dbaa28c57fe38726cc4787 [0,2,0,0,0,0|1,0,1]=4 1385 B9R0.5 CCOCNC(C)CCO ed76d68e4cc7932a3b62987eb87513f0 [0,2,0,0,0,0|1,0,1]=4 1386 B9R0.5 CCOCN[C@@H](C)CCO 47ffca4134ba353b1c37b620d698e11e [0,2,0,0,0,0|1,0,1]=4 1387 B9R0.5 CCOCN[C@H](C)CCO 054c0e5c7356fe7a28389eaf431e5fcf [0,2,0,0,0,0|1,0,1]=4 1388 B9R0.5 CCSCCN(C)CCO bf674e3b480dd92312b91a4d62c6684f [0,2,0,0,0,0|1,0,1]=4 1389 B9R0.5 CN(CC=CC#N)CCO b1a8779da340d9228112256c66d23e8f [0,2,0,0,0,0|1,0,1]=4 1390 B9R0.5 CN(CCF)CCCCO d7d0179f544a4105236d84488f729a62 [0,2,0,0,0,0|1,0,1]=4 1391 B9R0.5 CN(CCO)CCCCO d44971a64a6c82449d6be77041ad76c6 [0,2,0,0,0,0|1,0,1]=4 1392 B9R0.5 CN(CCS)CCCCO bf9f2990a9ac441c351cc8d974fe5692 [0,2,0,0,0,0|1,0,1]=4 1393 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [0,2,0,0,0,0|1,0,1]=4 1394 B9R0.5 COCC(=O)NCCCCl 9b8e00a91bd11b43b2cced22d7f8490f [0,2,0,0,0,0|2,0,0]=4 1395 B9R0.5 COCC(=O)NCCCO 8066d497a25e88f2387cdf27e9376a33 [0,2,0,0,0,0|1,0,0]=3 1396 B9R0.5 COCC(C)NCCCO b0a69ad3fd9da9b704eed05b95f7f925 [0,2,0,0,0,0|1,0,1]=4 1397 B9R0.5 COCCNC(C)CCO dd43cb1be698823eed01f49afff06555 [0,2,0,0,0,0|1,0,1]=4 1398 B9R0.5 COCCN[C@@H](C)CCO 52a78b8441c56218c6399a4cb692e9d1 [0,2,0,0,0,0|1,0,1]=4 1399 B9R0.5 COCCN[C@H](C)CCO 8cd8dfa46e1de35eec1e9fed664924bb [0,2,0,0,0,0|1,0,1]=4 1400 B9R0.5 COCN(C)CCCCO 4cd66c5afcea0d08088e6a3f9b04a8a7 [0,2,0,0,0,0|1,0,1]=4 1401 B9R0.5 COCNCC(C)CCO 916d4e97517893762f8fc92a40101dfb [0,2,0,0,0,0|1,0,1]=4 1402 B9R0.5 COCOC[C@@H](O)CCO a2dad40c9cbd71080e97e15bfb2e8e5d [0,2,0,0,0,0|1,0,1]=4 1403 B9R0.5 COC[C@@H](C)NCCCO 4cf4811ff3c6723d99acc80abc096824 [0,2,0,0,0,0|1,0,1]=4 1404 B9R0.5 COC[C@H](C)NCCCO d2a537ebbd69da7a5b2fb91923d57892 [0,2,0,0,0,0|1,0,1]=4 1405 B9R0.5 CSCC(=O)NCCCCl f8e5807b04533e1f0294eb15b05b589e [0,2,0,0,0,0|2,0,0]=4 1406 B9R0.5 CSCC(=O)NCCCO 5640a773b24a2079e88c1538d74a13f3 [0,2,0,0,0,0|1,0,0]=3 1407 B9R0.5 CSCCNC(C)CCO 41d929f7f09cc73756558b700bd2f70e [0,2,0,0,0,0|1,0,1]=4 1408 B9R0.5 CSCCN[C@@H](C)CCO fcf394f6936b4abcf8fd00f9e0aff603 [0,2,0,0,0,0|1,0,1]=4 1409 B9R0.5 CSCCN[C@H](C)CCO e47ff18597a8e48098c9028ec5d79bf2 [0,2,0,0,0,0|1,0,1]=4 1410 B9R0.5 CSCN(C)CCCCO 9887ddd494943b168bb075a32c092c12 [0,2,0,0,0,0|1,0,1]=4 1411 B9R0.5 CSCNCC(C)CCO fb037a76e92b22d3c6473e5979785511 [0,2,0,0,0,0|1,0,1]=4 1412 B9R0.5 C[C@@H](CCO)NCCCF d3ca05ac65a52a8a596d07c2d0fce07c [0,2,0,0,0,0|1,0,1]=4 1413 B9R0.5 C[C@@H](CCO)NCCCO ba1decc7624c9a5cc0d7dc70f1d78beb [0,2,0,0,0,0|1,0,1]=4 1414 B9R0.5 C[C@@H](CCO)NCCCS 826a7492d0befd216dae3dca711bba6e [0,2,0,0,0,0|1,0,1]=4 1415 B9R0.5 C[C@H](CCO)NCCCF 5783a6016a1d94c75bb6de43bacf6a55 [0,2,0,0,0,0|1,0,1]=4 1416 B9R0.5 C[C@H](CCO)NCCCO 4245e5edcc3f9437959925257a50fe42 [0,2,0,0,0,0|1,0,1]=4 1417 B9R0.5 C[C@H](CCO)NCCCS 00353a6451c5d00e2fb4b626319c1b5a [0,2,0,0,0,0|1,0,1]=4 1418 B9R0.5 N#CCC(=O)NCCCO 527c757a128d6e7aca9955beb2cd13a5 [0,2,0,0,0,0|1,0,1]=4 1419 B9R0.5 NOCC(=O)NCCCO a92bfea9c5f926aa654e629afce28ec3 [0,2,0,0,0,0|2,0,0]=4 1420 B9R0.5 O=C(/C=C/Br)NCCCO 0c6acc46387cbd0dd5607168108fbf74 [0,2,0,0,0,0|1,0,1]=4 1421 B9R0.5 O=C(/C=C/Cl)NCCCO 178219ff63333baee1afe4a79e1aab26 [0,2,0,0,0,0|1,0,1]=4 1422 B9R0.5 O=C(/C=C/I)NCCCO fe89525f3d6e16caae5025faa84d34a2 [0,2,0,0,0,0|1,0,1]=4 1423 B9R0.5 O=C(/C=C\Br)NCCCO 77d498015d0131d11e1ba3b0cc5f2158 [0,2,0,0,0,0|1,0,1]=4 1424 B9R0.5 O=C(/C=C\Cl)NCCCO 5094150d25f59731736ebd9a6a54bcf0 [0,2,0,0,0,0|1,0,1]=4 1425 B9R0.5 O=C(/C=C\I)NCCCO 444fa01b11fdb787f609d5c2e77fdf3e [0,2,0,0,0,0|1,0,1]=4 1426 B9R0.5 O=C(C=CBr)NCCCO 5c47077c1326fd8c03a6dcab2a06e002 [0,2,0,0,0,0|1,0,1]=4 1427 B9R0.5 O=C(C=CI)NCCCO c60dfadf73f0741bea6782bc509f9f12 [0,2,0,0,0,0|1,0,1]=4 1428 B9R0.5 O=C(CCF)NCCCCl 450f9e397437565bfe33b39b053c4245 [0,2,0,0,0,0|2,0,0]=4 1429 B9R0.5 O=C(CCF)NCCCO 3c99316c0047228a6d04ddef64744a30 [0,2,0,0,0,0|1,0,0]=3 1430 B9R0.5 O=C(CCO)NCCCCl abeaa24b07e6d3bdfe3ff6d05860a8be [0,2,0,0,0,0|2,0,0]=4 1431 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [0,2,0,0,0,0|1,0,0]=3 1432 B9R0.5 O=C(CCS)NCCCCl 5d4cbf1d3f8d26cc0fcfe1598b77ca0e [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.5 O=C(CCS)NCCCO d39ac9fd8653d19eae81484da48b1f73 [0,2,0,0,0,0|1,0,0]=3 1434 B9R0.5 O=C(CNCCO)NCO d770621adfcecfe087926cb2eca6ebfc [0,2,0,0,0,0|2,0,0]=4 1435 B9R0.5 O=CCC(=O)NCCCO 57159a12ad587b1d7ae726c989e182f7 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.5 OCCNC[C@@H](O)CCO 52ed8bacd6c8f287210acb4d2e184224 [0,2,0,0,0,0|1,0,1]=4 1437 B9R0.5 OCC[C@H](O)CNCCF fe59d4d31b815578f464af09c60352c5 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.5 OCC[C@H](O)CNCCI 74f35ce9d3a36f35aba28ce84e829998 [0,2,0,0,0,0|1,0,1]=4 1439 B9R0.5 OCC[C@H](O)CNCCS 081aee50c06db3a15226b575ef63e8fb [0,2,0,0,0,0|1,0,1]=4 1440 B9R0.5 OCC[C@H](O)COCCF 1e31821cd8d4f9df9025fdd5a971f09f [0,2,0,0,0,0|1,0,1]=4 1441 B9R0.5 OCC[C@H](O)COCCS db1e32e6d9ce32dfe98980d2f7add87f [0,2,0,0,0,0|1,0,1]=4 1442 B9R0.8 C/C=C(/C)\C(=O)NCCO 23feb92a61c2e6edbb61c13f62ff4788 [0,2,0,0,0,0|1,0,1]=4 1443 B9R0.8 C/C=C(\Br)/C(=O)NCCO 0d66a896179e4d13401b3594fd04cc3c [0,2,0,0,0,0|1,0,1]=4 1444 B9R0.8 C/C=C(\C)/C(=O)NCCO 9141042ed831cd6bb2b91bc81eb7470c [0,2,0,0,0,0|1,0,1]=4 1445 B9R0.8 C/C=C(\Cl)/C(=O)NCCO 451a208e24d645bc09fb9258c3662ba1 [0,2,0,0,0,0|1,0,1]=4 1446 B9R0.8 C/C=C(\O)/C(=O)NCCO 5dd6eddb5bf709fa88a9b0f6826b31f2 [0,2,0,0,0,0|1,0,1]=4 1447 B9R0.8 C=C(CC)C(=O)NCCBr f32967722aa2c8624bf6abe1938b030d [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.8 C=C(CC)C(=O)NCCC 198297579d2c46e6f527f9db79959810 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.8 C=C(CC)C(=O)NCCF 7d0a8defb76d3ce471b9549aa071dc94 [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.8 C=C(CC)C(=O)NCCI ce4a346bb104410d15875747df2935cc [0,2,0,0,0,0|2,0,0]=4 1451 B9R0.8 C=C(CC)C(=O)NCCO 928b82dc2c09249dc53ce85c56cac0e4 [0,2,0,0,0,0|1,0,0]=3 1452 B9R0.8 C=C(CC)C(=O)NCCS aa5b7fd43f45b1e227eeee918050ad3e [0,2,0,0,0,0|1,1,0]=4 1453 B9R0.8 C=C(CO)C(=O)NCCO 863b1436660a74fb4c4278c6329fc4ef [0,2,0,0,0,0|2,0,0]=4 1454 B9R0.8 CC=C(C)C(=O)NCCO 334e98e9ad0563073e45c6b1bee92b55 [0,2,0,0,0,0|1,0,1]=4 1455 B9R0.8 CCC(=O)C(=O)NCCBr 84fc4faee770c4e2b17d9a450509f7c4 [0,2,0,0,0,0|2,0,0]=4 1456 B9R0.8 CCC(=O)C(=O)NCCF 45f7aaa2290833f2ebffca2080080c8b [0,2,0,0,0,0|2,0,0]=4 1457 B9R0.8 CCC(=O)C(=O)NCCI c47ec07c95fd9869aa39fe7c7de0290c [0,2,0,0,0,0|2,0,0]=4 1458 B9R0.8 CCC(=O)C(=O)NCCO a7e0c4499eee6af2b5e9b45765eda93b [0,2,0,0,0,0|1,0,0]=3 1459 B9R0.8 CCC(=O)C(=O)NCCS d8d72c0868c2b4d59d8957abf2f00ed5 [0,2,0,0,0,0|1,1,0]=4 1460 B9R0.8 CCC(=O)C(C)NCCO a6ca7b75b4dcee243dcdf60254103368 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.8 CCC(=O)N(C)CCCO abe1c532feffa5d924432cc826e9ba1a [0,2,0,0,0,0|1,0,0]=3 1462 B9R0.8 CCC(C)N(C)CCCO cbfe05a59ee9861652769aaddaa93a90 [0,2,0,0,0,0|1,0,1]=4 1463 B9R0.8 CCC(O)C(=O)NCCO 745a9d17724d87b794549d966c0a7f8e [0,2,0,0,0,0|1,0,1]=4 1464 B9R0.8 CCCCC(=O)N(C)CC 3b76ee884ca3badac26f8203708e917a [0,2,0,0,0,0|2,0,0]=4 1465 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [0,2,0,0,0,0|2,0,0]=4 1466 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [0,2,0,0,0,0|2,0,0]=4 1467 B9R0.8 CCN(C)C(=O)CCCF 71a0c344902e76af27c94c81ecfb5689 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.8 CCN(C)C(=O)CCCS ebcb8168812b12d3e6201ff6520bbfde [0,2,0,0,0,0|1,1,0]=4 1469 B9R0.8 CCN(C)C(=O)CNCO 2dfbded055e7e7867ff651acf9c03b29 [0,2,0,0,0,0|2,0,0]=4 1470 B9R0.8 CCN(C)C(=O)NCCO b1aaf6191cfb2b7328dbc0e0cde9acef [0,2,0,0,0,0|2,0,0]=4 1471 B9R0.8 CCN(C)C(=S)NCCO 3d28864c35261ac5f0c695d1f6357d73 [0,2,0,0,0,0|2,0,0]=4 1472 B9R0.8 CCN(C)C(C)CCCO 2cadbeb9804ab5472a2861ad4076a8bc [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.8 CC[C@@H](O)C(=O)NCCO dae4c65b6f291f588a814c097e9a1d63 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.8 CC[C@H](O)C(=O)NCCO 686aa24f9002e236f6b398d59657d88e [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.8 CC[C@H](S)C(=O)NCCO ef37894623a18aeddfeb9fa640ef45ba [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.8 CN(CCCO)C(=O)CF 331a784d555995c4c9b3b3a6d4d4236d [0,2,0,0,0,0|2,0,0]=4 1477 B9R0.8 CN(CCCO)C(=O)CO 5a4e94ffd18aedd02762a4d4101b67f7 [0,2,0,0,0,0|2,0,0]=4 1478 B9R0.8 CN(CCCO)C(=O)CS 0092eea06cdd168118c6208d31901dbb [0,2,0,0,0,0|2,0,0]=4 1479 B9R0.8 CNC(=O)C(=O)NCCO 0faeaeeb75e067b34fa6aae2cf031742 [0,2,0,0,0,0|2,0,0]=4 1480 B9R0.8 COC(=O)C(=O)NCCO c95a2a1ebbe11de2b9a41a25c915d3ee [0,2,0,0,0,0|2,0,0]=4 1481 B9R0.8 O=C(CS)C(=O)NCCO dcc1c6d5c654a6b221cd9d032edbaf11 [0,2,0,0,0,0|2,0,0]=4 1482 B9R0.18 C/C=C/CC(=O)NCCO 091d3d7549cf2caf2a7d9195ab5c5391 [0,2,0,0,0,0|1,0,1]=4 1483 B9R0.18 C/C=C/CN(C)CCCO f4e049ff5c5e6b801cfbc9ae5e894614 [0,2,0,0,0,0|0,0,2]=4 1484 B9R0.18 C/C=C\CN(C)CCCO 8cfca0b4d60170c4539833e1fbda8ec9 [0,2,0,0,0,0|0,0,2]=4 1485 B9R0.18 CC(CCCO)NCCBr 1ae250cd4c30a4a2e1a0855376d5700c [0,2,0,0,0,0|1,0,1]=4 1486 B9R0.18 CC(CCCO)NCCF c7f84bce70720633b332cf7648a145f3 [0,2,0,0,0,0|1,0,1]=4 1487 B9R0.18 CC(CCCO)NCCI 582d78b1976a1675a8e0025618b9b8a8 [0,2,0,0,0,0|1,0,1]=4 1488 B9R0.18 CC(CCCO)NCCO 221f8682faf75542ab4184288190c1bf [0,2,0,0,0,0|1,0,1]=4 1489 B9R0.18 CC(CCCO)NCCS 7689a433bbec484b0dd6b4a2004a6457 [0,2,0,0,0,0|1,0,1]=4 1490 B9R0.18 CC/C=C/C(=O)NCCBr ee8d58d5055e43b68d59927d2e33cfa2 [0,2,0,0,0,0|1,0,1]=4 1491 B9R0.18 CC/C=C/C(=O)NCCC 097750926e3d99168c7ae958e0b63aa1 [0,2,0,0,0,0|1,0,1]=4 1492 B9R0.18 CC/C=C/C(=O)NCCF f17fc52ad6555fcc99c7681f7bafb025 [0,2,0,0,0,0|1,0,1]=4 1493 B9R0.18 CC/C=C/C(=O)NCCI a0ca9a4040ad11de0727cd346ff6e365 [0,2,0,0,0,0|1,0,1]=4 1494 B9R0.18 CC/C=C/C(=O)NCCO 08706e37528a32b5e8fd5fafc311f358 [0,2,0,0,0,0|0,0,1]=3 1495 B9R0.18 CC/C=C/C(=O)NCCS ca25c418eb639f8f275092502017b8a4 [0,2,0,0,0,0|0,1,1]=4 1496 B9R0.18 CC/C=C\C(=O)NCCBr 31b076141fd5eae592f6a6f835cad014 [0,2,0,0,0,0|1,0,1]=4 1497 B9R0.18 CC/C=C\C(=O)NCCC 2e01bf87a7f45ff1d01b0bf52ce2e79c [0,2,0,0,0,0|1,0,1]=4 1498 B9R0.18 CC/C=C\C(=O)NCCF 76a019df86ac7c1e6258651339cb29f7 [0,2,0,0,0,0|1,0,1]=4 1499 B9R0.18 CC/C=C\C(=O)NCCI 1443de2a84643e25d41c3a73eaf99811 [0,2,0,0,0,0|1,0,1]=4 1500 B9R0.18 CC/C=C\C(=O)NCCO 36732c392e163e67de85f10bd492904e [0,2,0,0,0,0|0,0,1]=3 1501 B9R0.18 CC/C=C\C(=O)NCCS cb421ffc85a07bd9cc0036a98b12c2e4 [0,2,0,0,0,0|0,1,1]=4 1502 B9R0.18 CCC#CC(=O)NCCO 555149a903a0bc41cc30d5b3e41067c6 [0,2,0,0,0,0|1,0,1]=4 1503 B9R0.18 CCC=CC(=O)NCCBr 3bdad91a0456ac6b0987cbbfe21004cb [0,2,0,0,0,0|1,0,1]=4 1504 B9R0.18 CCC=CC(=O)NCCC a3276d4bfec7425f957ca6583de8d8a3 [0,2,0,0,0,0|1,0,1]=4 1505 B9R0.18 CCC=CC(=O)NCCF 1f5aea88f3f965afbab72851442d5a70 [0,2,0,0,0,0|1,0,1]=4 1506 B9R0.18 CCC=CC(=O)NCCI 34d7c106d48a6ee0fa44f1ae10e8a912 [0,2,0,0,0,0|1,0,1]=4 1507 B9R0.18 CCC=CC(=O)NCCO 9fc7a140eccb6be107eccc3b03c28609 [0,2,0,0,0,0|0,0,1]=3 1508 B9R0.18 CCC=CC(=O)NCCS b28b0bba7928b07cf0c23858191c60ac [0,2,0,0,0,0|0,1,1]=4 1509 B9R0.18 CCCCC(=O)NCCBr 8af219e0e77c4fc0ca9d539df0908bd7 [0,2,0,0,0,0|2,0,0]=4 1510 B9R0.18 CCCCC(=O)NCCC b85686110cd08860fec3169645c4d3bc [0,2,0,0,0,0|1,0,1]=4 1511 B9R0.18 CCCCC(=O)NCCF b275f982f0ad827f00e9f57eb71a2f59 [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.18 CCCCC(=O)NCCI 9863fe9ac927a6229bfaad02f965a727 [0,2,0,0,0,0|2,0,0]=4 1513 B9R0.18 CCCCC(=O)NCCO 7ece651dd2827f5e83d2c51f7847968d [0,2,0,0,0,0|1,0,1]=4 1514 B9R0.18 CCCCC(=O)NCCS 7815db24b5b4c021be3fed7542d4cbf1 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.18 CCCCC(C)NCCO ff47d9e2568b188c4923b45bf7987a40 [0,2,0,0,0,0|0,0,2]=4 1516 B9R0.18 CCCCC(O)CNCO 2dafc47aa294ecb110a3a11ecf631ac8 [0,2,0,0,0,0|0,0,2]=4 1517 B9R0.18 CCCCN(C)CCCO 57af9b9f3fe16b52eec79be093a09ab2 [0,2,0,0,0,0|0,0,2]=4 1518 B9R0.18 CCCC[C@@H](C)NCCO 91f3234cc374ccfce736aaecc9b5736e [0,2,0,0,0,0|0,0,2]=4 1519 B9R0.18 CCCNC(=O)CCCF 1f823bbe5c8060566b13c81465e061c7 [0,2,0,0,0,0|1,0,1]=4 1520 B9R0.18 CCCNC(=O)CCCS 2bfa96a35c081404d84a7b0215640a85 [0,2,0,0,0,0|0,1,1]=4 1521 B9R0.18 CCCNC(=O)CNCO 675781d24e7cbc9b6ef31ada5f732a91 [0,2,0,0,0,0|1,0,1]=4 1522 B9R0.18 CCCNC(=O)NCCO 09e60de9b5b425950f0cc31f8f757e7a [0,2,0,0,0,0|1,0,1]=4 1523 B9R0.18 CCCNC(=S)NCCO b1fbaea66409824bb26c5724a416875e [0,2,0,0,0,0|1,0,1]=4 1524 B9R0.18 CCCNC(C)CCCO e35a72c6f447647387525857cf3e6cf3 [0,2,0,0,0,0|0,0,2]=4 1525 B9R0.18 CCCN[C@H](C)CCCO 558264158e702c6f14ae3c30e7ce5099 [0,2,0,0,0,0|0,0,2]=4 1526 B9R0.18 CCCOC(C)CCOC 747f19116197a3930af98e143e45dd61 [0,2,0,0,0,0|1,0,1]=4 1527 B9R0.18 CCNCC(=O)NCCO f0dbceae271282c3ff6663714718cc77 [0,2,0,0,0,0|1,0,1]=4 1528 B9R0.18 CCNC[C@H](C)CCCO 59acf7998511cccd05de89c8199a3646 [0,2,0,0,0,0|0,0,2]=4 1529 B9R0.18 CCOCC(=O)NCCO 4232164c729662df753fa9da7f624b37 [0,2,0,0,0,0|1,0,1]=4 1530 B9R0.18 CCOCC(O)CNCO 247414ae25635c2cb55b265213a4c609 [0,2,0,0,0,0|1,0,1]=4 1531 B9R0.18 CCOCN(C)CCCO 7069cd91fb961f99c8bb4bcb8bd089e3 [0,2,0,0,0,0|1,0,1]=4 1532 B9R0.18 CCSCC(=O)NCCO 36045fca78fe19f762e8c359711722ec [0,2,0,0,0,0|1,0,1]=4 1533 B9R0.18 CN(CCCO)CCCF 03d789a2e8aa6e5bce47c69ab2a7e264 [0,2,0,0,0,0|1,0,1]=4 1534 B9R0.18 CN(CCCO)CCCO 1856ec0bcbecbe35768dca680cca3963 [0,2,0,0,0,0|1,0,1]=4 1535 B9R0.18 CN(CCCO)CCCS 7f2452cded2a2efaaf26cc67b9bbfe7b [0,2,0,0,0,0|1,0,1]=4 1536 B9R0.18 CO/C=C/C(=O)NCCO d09af996dea26ae6a271b5517bb31209 [0,2,0,0,0,0|1,0,1]=4 1537 B9R0.18 COC=CC(=O)NCCO 264f7103fcfd686b7ba2e9d95ba98d86 [0,2,0,0,0,0|1,0,1]=4 1538 B9R0.18 COCCC(=O)NCCO b5e285b41937c9aa98027cb971fe056b [0,2,0,0,0,0|1,0,1]=4 1539 B9R0.18 COCCN(C)CCCO 556ad37f5ebb8143eceb4122b1eee157 [0,2,0,0,0,0|1,0,1]=4 1540 B9R0.18 COCNC(C)CCCO 75e6579864ecd341d38eb99e2e500999 [0,2,0,0,0,0|1,0,1]=4 1541 B9R0.18 COCN[C@H](C)CCCO e79c3c27d951f16a5216fc392b0c1736 [0,2,0,0,0,0|1,0,1]=4 1542 B9R0.18 CSCCC(=O)NCCO cd589d7a0e4d026a26420d69f13f3bd8 [0,2,0,0,0,0|1,0,1]=4 1543 B9R0.18 CSCCN(C)CCCO f09cfbda1b033f5b0a3cab7bebce098e [0,2,0,0,0,0|1,0,1]=4 1544 B9R0.18 CSCNC(C)CCCO eec390978f296eba5f498bc13d59806c [0,2,0,0,0,0|1,0,1]=4 1545 B9R0.18 CSCN[C@H](C)CCCO 63552fa0a4830377e58298336192fe79 [0,2,0,0,0,0|1,0,1]=4 1546 B9R0.18 C[C@H](CCCO)NCCF 4c6c8aae7f3ac26b6a810e7849ba915e [0,2,0,0,0,0|1,0,1]=4 1547 B9R0.18 C[C@H](CCCO)NCCO d6762aba7c3f77d1b29dc8eb951419f6 [0,2,0,0,0,0|1,0,1]=4 1548 B9R0.18 C[C@H](CCCO)NCCS 0243cbb48a44c46e3976043419aae9bb [0,2,0,0,0,0|1,0,1]=4 1549 B9R0.18 NCCNC(=O)NCCO 3c98f2f7591a01a373921c1426db9107 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.18 NCCNC(=S)NCCO 37faf98156c68392ddd9df77fe10dc7b [0,2,0,0,0,0|2,0,0]=4 1551 B9R0.18 O=C(/C=C/CF)NCCO d5e2d6c922ab900bee3e4c4e432a624f [0,2,0,0,0,0|1,0,1]=4 1552 B9R0.18 O=C(/C=C/CO)NCCO ac34431dcee8ab202fb4ff83a47b0991 [0,2,0,0,0,0|1,0,1]=4 1553 B9R0.18 O=C(C=CCO)NCCO 06fc80c5cd3fe542ac8916a513aea260 [0,2,0,0,0,0|1,0,1]=4 1554 B9R0.18 O=C(CCCF)NCCBr 454639c983ec3682f4d57d1ec2bcf026 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.18 O=C(CCCF)NCCF ad34e8af339b2a31998448cfc17501be [0,2,0,0,0,0|2,0,0]=4 1556 B9R0.18 O=C(CCCF)NCCI 96be9ab611733cd089ece9902e243128 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.18 O=C(CCCF)NCCO 148332670bdbe57694e65e058f1387a4 [0,2,0,0,0,0|1,0,1]=4 1558 B9R0.18 O=C(CCCF)NCCS ee612c15499d17690d17e81f91cd16af [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.18 O=C(CCCS)NCCBr d43e0b043b9a5c392004a1608afa85bb [0,2,0,0,0,0|1,1,0]=4 1560 B9R0.18 O=C(CCCS)NCCF 97df33e2c026134fbbc15142e58eeed1 [0,2,0,0,0,0|1,1,0]=4 1561 B9R0.18 O=C(CCCS)NCCI b85b8b41742ef5e4f7e1a76ff50bec0a [0,2,0,0,0,0|1,1,0]=4 1562 B9R0.18 O=C(CCCS)NCCO 2fdce65150ecd2129b2fa88f848eb2d0 [0,2,0,0,0,0|1,0,1]=4 1563 B9R0.18 O=C(CCCS)NCCS 755924664cd9a54b9c9a50d8b854021e [0,2,0,0,0,0|1,1,0]=4 1564 B9R0.18 O=C(CNCO)NCCO df6aade421692c5ef1d4e0bb3c3952f7 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.18 O=C(NCCO)NCCF 6f02f55e6b9010e416e130e42b9fc7a9 [0,2,0,0,0,0|2,0,0]=4 1566 B9R0.18 O=C(NCCO)NCCO 640ff2a1258a6555f2071a293a5ad9d2 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.18 O=C(NCCO)NCCS 867472d0da720118258992a3d02ca4da [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.18 OCCNC(=S)NCCF 89b42771243782b566bcd65c87bb8076 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.18 OCCNC(=S)NCCO 435b1669447a6fa9b1fb51e88ded9122 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.18 OCCNC(=S)NCCS 5080ba73de0f9777529c9529f7609c65 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.34 C/C=C/C(=O)NC(C)CO aba9d437b1288c9152f5e47753245e8a [0,2,0,0,0,0|1,0,1]=4 1572 B9R0.34 C/C=C/C(=O)N[C@@H](C)CO 0ef524bd129fa1c2b78656258703a52f [0,2,0,0,0,0|1,0,1]=4 1573 B9R0.34 C/C=C/C(=O)N[C@H](C)CO af576f642c89c8ea4845443a75e8ada5 [0,2,0,0,0,0|1,0,1]=4 1574 B9R0.34 C=C(CC)CN(C)CCO b1bcac413f1e8f557ba7931773679d78 [0,2,0,0,0,0|1,0,1]=4 1575 B9R0.34 CC(CCO)NC(=O)CF addcb767053ed3d6461a0258663939dd [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.34 CC(CCO)NC(=O)CO 0427225a7df4f14d3ecf575fbe1c2ca8 [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.34 CC(CCO)NC(=O)CS 36d7e03a5d1c1fe348a7804019d7d313 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.34 CCC(=O)CN(C)CCO 89e8f518682c803ef78fe38f0dbad88f [0,2,0,0,0,0|1,0,1]=4 1579 B9R0.34 CCC(=O)NC(C)CCO a883fc34859346abd88179101d515e1d [0,2,0,0,0,0|1,0,0]=3 1580 B9R0.34 CCC(=O)N[C@@H](C)CCO f39b1caa19cceb4e390c6db1cb780fdc [0,2,0,0,0,0|1,0,0]=3 1581 B9R0.34 CCC(=O)N[C@H](C)CCO b8d67ac64c2350c7e7098139ad8e20ec [0,2,0,0,0,0|1,0,0]=3 1582 B9R0.34 CCC(C)NC(C)CCO 7ec931c1b7464e6104dbcb1b5c3aaff0 [0,2,0,0,0,0|1,0,1]=4 1583 B9R0.34 CCC(C)N[C@@H](C)CCO fb40436ba7c6fb9244c8056675952769 [0,2,0,0,0,0|1,0,1]=4 1584 B9R0.34 CCC(C)N[C@H](C)CCO f9f1664ade9adf4945486c8d61857c4e [0,2,0,0,0,0|1,0,1]=4 1585 B9R0.34 CCCC(=O)NC(C)CO a7090c1c1b405bd35722b578555619c9 [0,2,0,0,0,0|1,0,1]=4 1586 B9R0.34 CCCC(=O)N[C@@H](C)CO 4c6ad042e71ecf9f65651ad3da78b67c [0,2,0,0,0,0|1,0,1]=4 1587 B9R0.34 CCCC(=O)N[C@H](C)CO 33f6a48d549715835d933ee65f465f73 [0,2,0,0,0,0|1,0,1]=4 1588 B9R0.34 CCCC(C)NC(=O)CC 1c5e7d013b6d8314fad6ff12635fab4a [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.34 CCCN(C)CC(C)CO 11af06a98469e17e97921d1b8fe056c7 [0,2,0,0,0,0|1,0,1]=4 1590 B9R0.34 CCCN(C)CC(O)CO 5b87c27564f72e7671fb8f18663cd6c1 [0,2,0,0,0,0|1,0,1]=4 1591 B9R0.34 CCCN(C)C[C@@H](C)CO a5d10826d6fb657a58168691e7ebf4d6 [0,2,0,0,0,0|1,0,1]=4 1592 B9R0.34 CCCN(C)C[C@@H](O)CO 349b631faa57321ba3aa80b54b020065 [0,2,0,0,0,0|1,0,1]=4 1593 B9R0.34 CCCN(C)C[C@H](C)CO fc6f09d14cfbf4c172afbd7d894e9422 [0,2,0,0,0,0|1,0,1]=4 1594 B9R0.34 CCCN(C)C[C@H](O)CO fb4772b807d2a488378231a7dd3453bd [0,2,0,0,0,0|1,0,1]=4 1595 B9R0.34 CCC[C@H](C)NC(=O)CC ad5f66cc617489af6f8b7c428b7d7795 [0,2,0,0,0,0|2,0,0]=4 1596 B9R0.34 CC[C@@H](C)NC(C)CCO 735255250acf870de3065ec43d87d304 [0,2,0,0,0,0|1,0,1]=4 1597 B9R0.34 CC[C@H](C)NC(C)CCO 8327427dcd765a70936e44cf4bd84faf [0,2,0,0,0,0|1,0,1]=4 1598 B9R0.34 C[C@@H](CCO)NC(=O)CF d59362538fad05ee537a74044bdb6ca8 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.34 C[C@@H](CCO)NC(=O)CO 492e5a8b88c4346847f95b6840bbc2bb [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.34 C[C@@H](CCO)NC(=O)CS 19199c98226f0ea1ccccd53e8012f2f3 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.34 C[C@H](CCO)NC(=O)CF 1c8757b1815ed13ca8c25e84deec4738 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.34 C[C@H](CCO)NC(=O)CO 5fe807d3416590bf88e86606c4b71e27 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.34 C[C@H](CCO)NC(=O)CS 00d65270f4c8bc713377849a4a318268 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.35 C/C=C/C(=O)N(C)CCO b23212006a7ac6d8c3a20cdd55a67bc3 [0,2,0,0,0,0|1,0,1]=4 1605 B9R0.35 CCCC(=O)N(C)CCO f0b5ab6bc74bbd3ffd5f7deea09303f1 [0,2,0,0,0,0|1,0,1]=4 1606 B9R0.35 CCCN(C)C(C)CCO cc6b446721f60d910b5b2c38e6d54c02 [0,2,0,0,0,0|1,0,1]=4 1607 B9R0.35 CCCN(C)[C@@H](C)CCO 572a2548d89fbd92f45061a75ec99dac [0,2,0,0,0,0|1,0,1]=4 1608 B9R0.35 CCNC(=O)[C@H](C)NCO a1dc75e0857f3efa55b51ecfab4c3824 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.40 CCCN(C=O)CCCO 85b67d56bdd81bcfbc08ec2560cc228c [0,2,0,0,0,0|1,0,1]=4 1611 B9R0.40 CCCN(CC)CCCO c326ed8204cffaa3b7251cea8880b2f3 [0,2,0,0,0,0|1,0,1]=4 1612 B9R0.40 CCCN(CF)CCCO 92966a4260450751c90d1f6e8cc118e5 [0,2,0,0,0,0|1,0,1]=4 1613 B9R0.40 CCCN(CO)CCCO 5f103803fa86b5a1f39d6ce3a2310d84 [0,2,0,0,0,0|1,0,1]=4 1614 B9R0.40 CCCNC(CO)CCO e48b8087112d0dbde807c3e80de577b5 [0,2,0,0,0,0|1,0,1]=4 1615 B9R0.40 CCCN[C@@H](CO)CCO d25c41960081028e6638790befa80bdf [0,2,0,0,0,0|1,0,1]=4 1616 B9R0.40 CCCO[C@@H](CO)CCO 271971862229ec111c96b74c13aa73b9 [0,2,0,0,0,0|1,0,1]=4 1617 B9R0.40 CCNC(CO)CCCO ca46aacb27c034365ce5c4c6253dbfd4 [0,2,0,0,0,0|1,0,1]=4 1618 B9R0.48 C/C=C/C(=O)NCC(C)O 84d58663dfcd51e89334984dcff75861 [0,2,0,0,0,0|1,0,1]=4 1619 B9R0.48 C/C=C/C(=O)NC[C@@H](C)O 9aeb50ae76bfc4c4a42110aaf18e91db [0,2,0,0,0,0|1,0,1]=4 1620 B9R0.48 C/C=C/C(=O)NC[C@H](C)O b2d28f4f0d59c4da44ac49efcb09e2c5 [0,2,0,0,0,0|1,0,1]=4 1621 B9R0.48 CC(C)CNC(C)CCO a4c9e6e0c1c50059623494a7ead9e12e [0,2,0,0,0,0|1,0,1]=4 1622 B9R0.48 CC(C)CN[C@@H](C)CCO f69406c29023ea67bcf290675784fff4 [0,2,0,0,0,0|1,0,1]=4 1623 B9R0.48 CC(C)CN[C@H](C)CCO 0882c63fe93f685a6a603511d1ad70bd [0,2,0,0,0,0|1,0,1]=4 1624 B9R0.48 CC(C)OC[C@@H](O)CCO fb08dbae88d047dfb6989f17cb2456c1 [0,2,0,0,0,0|1,0,1]=4 1625 B9R0.48 CC(CCO)CNC(C)C e2fdd8348783463b4eb1da2bf1ae850d [0,2,0,0,0,0|1,0,1]=4 1626 B9R0.48 CC(CCO)NC[C@@H](C)O 943d8e859e75a5b249fd0890eb559e5b [0,2,0,0,0,0|1,0,1]=4 1627 B9R0.48 CC(CCO)NC[C@H](C)O ff390b018e21ae0e97b968f08b734b5d [0,2,0,0,0,0|1,0,1]=4 1628 B9R0.48 CC(O)CNC(C)CCO f58e37f406c63a50d90e22345c5673cd [0,2,0,0,0,0|1,0,1]=4 1629 B9R0.48 CC(O)CN[C@@H](C)CCO 4ff006fac9782be19aab4020a464a184 [0,2,0,0,0,0|1,0,1]=4 1630 B9R0.48 CC(O)CN[C@H](C)CCO b66b0295e1617c4998f94801152e2980 [0,2,0,0,0,0|1,0,1]=4 1631 B9R0.48 CCCC(=O)NCC(C)O ba53379307f7ae08a2b5b3adca0ac823 [0,2,0,0,0,0|1,0,1]=4 1632 B9R0.48 CCCC(=O)NC[C@@H](C)O 2eea508114803a331a902914666075a1 [0,2,0,0,0,0|1,0,1]=4 1633 B9R0.48 CCCC(=O)NC[C@H](C)O b4f7691f264345400cd9717008b17039 [0,2,0,0,0,0|1,0,1]=4 1634 B9R0.48 CCCN(C)CCC(C)O d548c004046fcb4cac04a11fffe2a92b [0,2,0,0,0,0|1,0,1]=4 1635 B9R0.48 C[C@@H](O)CN[C@@H](C)CCO 532fc1d968518803338dab4b16b55976 [0,2,0,0,0,0|1,0,1]=4 1636 B9R0.48 C[C@H](CCO)NC[C@@H](C)O a32e42b56da6aad0cbc516b448fc537f [0,2,0,0,0,0|1,0,1]=4 1637 B9R0.48 C[C@H](O)CN[C@@H](C)CCO 0b20a83189180fc44a706f9440afb8c2 [0,2,0,0,0,0|1,0,1]=4 1638 B9R0.48 C[C@H](O)CN[C@H](C)CCO 041b059991b49ab1041acbb2f9f2566a [0,2,0,0,0,0|1,0,1]=4 1639 B9R0.66 CCCNC(C)(C)CCO 546d2975b8189e89e4edf5b39959c4ad [0,2,0,0,0,0|1,0,1]=4 1640 B9R0.66 CCNC(C)(C)CCCO 86e07481a48066bb78c9372a3b701acf [0,2,0,0,0,0|1,0,1]=4 1641 B9R0.2 C#CCNC/C=C/C(C)C 7bbdb610a896db6396caafc13a6ab33e [0,2,0,0,0,0|1,0,1]=4 1642 B9R0.2 C#CCOC/C=C/C(C)C 8b8e024b25c5786dd05cb52446ed365e [0,2,0,0,0,0|1,0,1]=4 1643 B9R0.2 C/C(=C/CNCCCO)/I d22ede75a0588adb658c735be4d3d960 [0,2,0,0,0,0|0,0,2]=4 1644 B9R0.2 C/C(=C\CNCCCO)/Cl 3ff2b1beec463e2e921bfcf20544b23c [0,2,0,0,0,0|0,0,2]=4 1645 B9R0.2 C/C=C/CNCCC(C)O 6debd4c663ac5174d8c60e8493d18bb2 [0,2,0,0,0,0|0,0,2]=4 1646 B9R0.2 C/C=C/CNCC[C@@H](C)O ca62f7533275ba0a68bef6cf6bb405f0 [0,2,0,0,0,0|0,0,2]=4 1647 B9R0.2 C/C=C/CNCC[C@H](C)O b51f43a564ca9ad16826b32fa7b19015 [0,2,0,0,0,0|0,0,2]=4 1648 B9R0.2 C/C=C\CNCCC(C)O 23edc2a5ebf3ae72f3a4140484341e9d [0,2,0,0,0,0|0,0,2]=4 1649 B9R0.2 C/C=C\CNCC[C@@H](C)O 4e90f7a38be0c1d6f9219d045ccaa620 [0,2,0,0,0,0|0,0,2]=4 1650 B9R0.2 C/C=C\CNCC[C@H](C)O 00bcbf6640cd1d0cb50e464dfceaac30 [0,2,0,0,0,0|0,0,2]=4 1651 B9R0.2 C=C(Br)CNC/C=C/CC 7d137fbeda8f1f7ae33efed2419ae1f4 [0,2,0,0,0,0|1,0,1]=4 1652 B9R0.2 C=C(Br)COC/C=C/CC a4bb5a0743eccfb53c37897f27ceddb9 [0,2,0,0,0,0|1,0,1]=4 1653 B9R0.2 C=C(Br)COC/C=C\CC ba5bfebf2b8a14fd9d41ca127244aed1 [0,2,0,0,0,0|1,0,1]=4 1654 B9R0.2 C=C(C)CCNCCCO 237e934407e2f80895a50d460e0c174d [0,2,0,0,0,0|1,0,1]=4 1655 B9R0.2 C=C(C)CNC/C=C/CC e75f09da7e6b55334f9aa4d9b2f6609a [0,2,0,0,0,0|1,0,1]=4 1656 B9R0.2 C=C(C)CNCCCCO f295044566a501ed18f2fadfcbe93198 [0,2,0,0,0,0|1,0,1]=4 1657 B9R0.2 C=C(C)COC/C=C/CC 4179f7b97211752bad9a117b84d090d8 [0,2,0,0,0,0|1,0,1]=4 1658 B9R0.2 C=C(C)COC/C=C\CC ae71d69919156416dcbd0cd262e19edd [0,2,0,0,0,0|1,0,1]=4 1659 B9R0.2 C=C(Cl)COC/C=C/CC c8023757cd49564d7f328fa002aa35f0 [0,2,0,0,0,0|1,0,1]=4 1660 B9R0.2 C=C(Cl)COC/C=C\CC 0a1cbff4222f2d812738d560e4885d2c [0,2,0,0,0,0|1,0,1]=4 1661 B9R0.2 C=C(F)COC/C=C/CC 28a525eb03efbc7b9338647289db8c61 [0,2,0,0,0,0|1,0,1]=4 1662 B9R0.2 C=C(F)COC/C=C\CC f3ff8c77883a3160bcc1d15e1bf1a0e5 [0,2,0,0,0,0|1,0,1]=4 1663 B9R0.2 C=C(I)COC/C=C/CC f542a41bfdf58471c14909f694b16ffb [0,2,0,0,0,0|1,0,1]=4 1664 B9R0.2 CC(=CCCNCCO)C 43d44608cf73d89e49db9d730f5af837 [0,2,0,0,0,0|0,0,2]=4 1665 B9R0.2 CC(=CCNCCCO)C afa8fd0f9f3b2946aa8a6cb8dbe7ce3c [0,2,0,0,0,0|0,0,2]=4 1666 B9R0.2 CC(=CCNCCCO)Cl e2d638f136e7a40fc088e3135082772a [0,2,0,0,0,0|0,0,2]=4 1667 B9R0.2 CC(=CCNCCCO)I 274563f0783ffba6613925d65f497437 [0,2,0,0,0,0|0,0,2]=4 1668 B9R0.2 CC(=O)CCNCCCO 41ab0e7b58a0373c2b6f1dd023df8651 [0,2,0,0,0,0|1,0,1]=4 1669 B9R0.2 CC(=O)CNCCCCO 96082e5297f4b4820c770800699f2247 [0,2,0,0,0,0|1,0,1]=4 1670 B9R0.2 CC(C)/C=C/CNCC#N 6a4861a3afd0c12822568d6a34a7e1ab [0,2,0,0,0,0|1,0,1]=4 1671 B9R0.2 CC(C)/C=C/CNCCBr fa07af6b297feb4bd736307f94643a22 [0,2,0,0,0,0|1,0,0]=3 1672 B9R0.2 CC(C)/C=C/CNCCF d4ed2297ac4f38207650ddafe489fc09 [0,2,0,0,0,0|1,0,0]=3 1673 B9R0.2 CC(C)/C=C/CNCCI b13079b27ea28b1c06e0e9e12d705644 [0,2,0,0,0,0|1,0,0]=3 1674 B9R0.2 CC(C)/C=C/CNCCO 66bca279c81e0d0e4ea18c78ab911bf1 [0,2,0,0,0,0|0,0,0]=2 1675 B9R0.2 CC(C)/C=C/CNCCS a753c8ccbaf9b31996e8db2c4a2b2a09 [0,2,0,0,0,0|0,1,0]=3 1676 B9R0.2 CC(C)/C=C/COCC#N 7b904124e20e7c1071f738210eaab57e [0,2,0,0,0,0|1,0,1]=4 1677 B9R0.2 CC(C)/C=C/COCCF 0d0d59f3c4485798ca4aa74065824040 [0,2,0,0,0,0|1,0,0]=3 1678 B9R0.2 CC(C)/C=C/COCCS bebe2619c523511d6d0f072bcec79a1b [0,2,0,0,0,0|0,1,0]=3 1679 B9R0.2 CC(C)CCCNCCO 792143707f2bda6c4365b4fdbb4b413c [0,2,0,0,0,0|0,0,2]=4 1680 B9R0.2 CC(C)CCNCCCO eca7ad0d2c54b51c5aaeb877cb5ad346 [0,2,0,0,0,0|0,0,2]=4 1681 B9R0.2 CC(C)CNCCCCO 7cb286cfe0c029d2c875a40ca4fb0b64 [0,2,0,0,0,0|0,0,2]=4 1682 B9R0.2 CC(C)NCCCCCO 1f208d8ec5575ad2e5d4dc53dbb64198 [0,2,0,0,0,0|0,0,2]=4 1683 B9R0.2 CC(C)NCCOCCO 7203a2feaa211528a82b00fe31622805 [0,2,0,0,0,0|1,0,1]=4 1684 B9R0.2 CC(C)NCCSCCO e48ecac830d8effa63e06ec70f93dbd9 [0,2,0,0,0,0|1,0,1]=4 1685 B9R0.2 CC(C)OCCCNCO 6231d6da5c30604ffef4b61df1929e41 [0,2,0,0,0,0|1,0,1]=4 1686 B9R0.2 CC(C)OCCNCCO 55de75b1c2235bf3ece388e375366658 [0,2,0,0,0,0|1,0,1]=4 1687 B9R0.2 CC(C)OCNCCCO f57caf52885e0338f8842a5c6416866d [0,2,0,0,0,0|1,0,1]=4 1688 B9R0.2 CC(C)SCCCNCO f532abefa2e4cedcf86a56ab393e39fd [0,2,0,0,0,0|1,0,1]=4 1689 B9R0.2 CC(C)SCCNCCO 6c1243721a47c44dc5b5998c704b8389 [0,2,0,0,0,0|1,0,1]=4 1690 B9R0.2 CC(O)CCCNCCBr 846a80d7bd351c20925246d05170fa0a [0,2,0,0,0,0|1,0,1]=4 1691 B9R0.2 CC(O)CCCNCCF c8e3887a2439ccb3592fe170015fe6da [0,2,0,0,0,0|1,0,1]=4 1692 B9R0.2 CC(O)CCCNCCI d049963d4683c730c11fc2ac87702d47 [0,2,0,0,0,0|1,0,1]=4 1693 B9R0.2 CC(O)CCCNCCO 0303877d92750e8a64756316fc4bb9e6 [0,2,0,0,0,0|0,0,2]=4 1694 B9R0.2 CC(O)CCCNCCS c6438b2d80c9f6ff85d85ecf0e281737 [0,2,0,0,0,0|1,0,1]=4 1695 B9R0.2 CC(O)CCNCCCCl 0a32bed6279f094ef9401ca250c5ffa2 [0,2,0,0,0,0|1,0,1]=4 1696 B9R0.2 CC(O)CCNCCCF 9569faec1da967f7c66c5e0a60d104de [0,2,0,0,0,0|1,0,1]=4 1697 B9R0.2 CC(O)CCNCCCO 87acb0957134460d35e20a94643a56a5 [0,2,0,0,0,0|0,0,2]=4 1698 B9R0.2 CC(O)CCNCCCS c89ad0b413e9833571309ce26aa67448 [0,2,0,0,0,0|1,0,1]=4 1699 B9R0.2 CC(O)CNCC=CC#N 12d026daf293f594af11eb7e9a407890 [0,2,0,0,0,0|1,0,1]=4 1700 B9R0.2 CC(O)CNCCCCO ce2dc7373bb7b816c2a9a5d12a2b9a76 [0,2,0,0,0,0|0,0,2]=4 1701 B9R0.2 CC/C=C/CCOC(C)C ef00627bff77b325217a906a5597bbd9 [0,2,0,0,0,0|1,0,0]=3 1702 B9R0.2 CC/C=C/CNCC(=O)C bb03016005aff92d60de25a5fb2dde7e [0,2,0,0,0,0|0,0,2]=4 1703 B9R0.2 CC/C=C/CNCC(=O)N 48059c8d89eacab83d2ef80706455f01 [0,2,0,0,0,0|0,0,2]=4 1704 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [0,2,0,0,0,0|0,0,1]=3 1705 B9R0.2 CC/C=C/CNCC(C)C b25757dbfde58bbb1d05e9157ca1aec6 [0,2,0,0,0,0|1,0,0]=3 1706 B9R0.2 CC/C=C/CNCC(C)O 9a11d5b7d1af9be62999b57a8ae8f804 [0,2,0,0,0,0|0,0,0]=2 1707 B9R0.2 CC/C=C/CNCC(F)F 31bb1c56e6c2f4166cf081ef629bca54 [0,2,0,0,0,0|1,0,0]=3 1708 B9R0.2 CC/C=C/CNC[C@@H](C)O b3d2f6b4ccb1c8896c6f624fc95ed3a1 [0,2,0,0,0,0|0,0,0]=2 1709 B9R0.2 CC/C=C/CNC[C@H](C)O 506e12ebd88eaf537f00c9771d87eb67 [0,2,0,0,0,0|0,0,0]=2 1710 B9R0.2 CC/C=C/COCC(=O)C 5aaebc977bb6e5ae3b7dabe2f590edd8 [0,2,0,0,0,0|0,0,2]=4 1711 B9R0.2 CC/C=C/COCC(=O)N 713c914f23ecec665a855260c3f6940a [0,2,0,0,0,0|0,0,2]=4 1712 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,2,0,0,0,0|0,0,1]=3 1713 B9R0.2 CC/C=C/COCC(=S)N 57ed83ecae315459c576ed01bb8cf118 [0,2,0,0,0,0|0,1,1]=4 1714 B9R0.2 CC/C=C/COCC(C)C c9460f35b70c31b83a5819b1169bb38b [0,2,0,0,0,0|1,0,0]=3 1715 B9R0.2 CC/C=C/COCC(C)F 2ad96937e40a6336180e444212541c7d [0,2,0,0,0,0|1,0,0]=3 1716 B9R0.2 CC/C=C/COCC(C)S aa6cac99a5f42a16ef0496b3860a966b [0,2,0,0,0,0|0,1,0]=3 1717 B9R0.2 CC/C=C/COCC(F)F 5bc9ad48bfa098b015f13914fdffae5e [0,2,0,0,0,0|1,0,0]=3 1718 B9R0.2 CC/C=C/COCN(C)C 509b66c35fa16ea1cbe5688431148f5a [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.2 CC/C=C/COCS(=O)O b0cb372b04d2defa6fc2884893f1c842 [0,2,0,0,0,0|1,0,0]=3 1720 B9R0.2 CC/C=C/COC[C@@H](C)F acbfd9459e7bcab51f27965009855a34 [0,2,0,0,0,0|1,0,0]=3 1721 B9R0.2 CC/C=C/COC[C@H](C)F 2d1fc03ea761a5394b91eddee2271875 [0,2,0,0,0,0|1,0,0]=3 1722 B9R0.2 CC/C=C/COC[N+](=O)[O-] 4a53c144a56a433b771de083fa13413c [0,2,0,0,0,0|1,0,1]=4 1723 B9R0.2 CC/C=C\CCOC(C)C 4692840deafd8699b89a7fcb39f78d25 [0,2,0,0,0,0|1,0,0]=3 1724 B9R0.2 CC/C=C\COCC(=O)N 52f4757b5a31ccc4a1fcfe8b24404167 [0,2,0,0,0,0|0,0,2]=4 1725 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,2,0,0,0,0|0,0,1]=3 1726 B9R0.2 CC/C=C\COCC(C)C 023c589a61e57ea137047af369f5362e [0,2,0,0,0,0|1,0,0]=3 1727 B9R0.2 CC/C=C\COCC(F)F 1789187fffb590269a195fa47b48af6c [0,2,0,0,0,0|1,0,0]=3 1728 B9R0.2 CC/C=C\COCN(C)C 1c3f287a3fb0717ca55bb4f0027eb9e9 [0,2,0,0,0,0|2,0,0]=4 1729 B9R0.2 CC/C=C\COC[N+](=O)[O-] bca171a7442f42b8c5fff7d4a79307ab [0,2,0,0,0,0|1,0,1]=4 1730 B9R0.2 CC=CCNCCC(C)O da50ff235f5b0725b75ee0d58d7c04ce [0,2,0,0,0,0|0,0,2]=4 1731 B9R0.2 CCC#CCNCC(C)O 29bf36c370984f9a2f5955292f764556 [0,2,0,0,0,0|0,0,2]=4 1732 B9R0.2 CCC#CCNC[C@@H](C)O 43f68b388f674f958f9da0c614832231 [0,2,0,0,0,0|0,0,2]=4 1733 B9R0.2 CCC#CCNC[C@H](C)O ac4f9cf370d3b0698f2b7d81e33ac53b [0,2,0,0,0,0|0,0,2]=4 1734 B9R0.2 CCC/C=C/COC(C)C c7f6dce9a9b6f04fa1a4ee48b4332bb5 [0,2,0,0,0,0|2,0,0]=4 1735 B9R0.2 CCC/C=C\COC(C)C 7e38665cf9eba01730817707e8d36b75 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.2 CCCCCNCC(C)O 9e9132e8083003550d3545b55a454f7b [0,2,0,0,0,0|0,0,2]=4 1737 B9R0.2 CCCCCNC[C@@H](C)O 089be76a49b8d969c37e3bf761f099cf [0,2,0,0,0,0|0,0,2]=4 1738 B9R0.2 CCCCCNC[C@H](C)O 5a490e8ff74a89416bf9c7c48d9e8ab5 [0,2,0,0,0,0|0,0,2]=4 1739 B9R0.2 CCCCNCCC(C)O a3707e567169e0cb89818b82dd0db2ad [0,2,0,0,0,0|0,0,2]=4 1740 B9R0.2 CCCCNCC[C@@H](C)O b4194f7259d3966751a8302ac0afc5f6 [0,2,0,0,0,0|0,0,2]=4 1741 B9R0.2 CCCCNCC[C@H](C)O 2bd9e0d91881457396737c14485be5ce [0,2,0,0,0,0|0,0,2]=4 1742 B9R0.2 CCCNC/C=C/C(C)C 8c2b38091f0af05b02125cf53e6e8637 [0,2,0,0,0,0|1,0,0]=3 1743 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [0,2,0,0,0,0|1,0,1]=4 1744 B9R0.2 CCCNCCCC(C)O 6371182df2267961651c217c5a9d8ec2 [0,2,0,0,0,0|0,0,2]=4 1745 B9R0.2 CCCOC/C=C/C(C)C d81d713f1cad00b19fa195cb6ef21d6a [0,2,0,0,0,0|1,0,0]=3 1746 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [0,2,0,0,0,0|1,0,1]=4 1747 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [0,2,0,0,0,0|1,0,1]=4 1748 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [0,2,0,0,0,0|1,0,1]=4 1749 B9R0.2 CCOCCNCC(C)O 611c0ca058030afcafaa92e361f179d4 [0,2,0,0,0,0|1,0,1]=4 1750 B9R0.2 CCOCCNC[C@@H](C)O 6d9cab9a552edc18dd5f7603d3564ae0 [0,2,0,0,0,0|1,0,1]=4 1751 B9R0.2 CCOCCNC[C@H](C)O 223aa1e1127120cb9bd81fef9db0a862 [0,2,0,0,0,0|1,0,1]=4 1752 B9R0.2 CCOCNCCC(C)O 3138bbeaedff2fa3dde2a5a9e1e37e46 [0,2,0,0,0,0|1,0,1]=4 1753 B9R0.2 CCOCNCC[C@@H](C)O 0c1a73cdbcd329869c52458b6af4331f [0,2,0,0,0,0|1,0,1]=4 1754 B9R0.2 CCOCNCC[C@H](C)O 003c7a0673a396cd2acd25751a1511c1 [0,2,0,0,0,0|1,0,1]=4 1755 B9R0.2 CCSCCNCC(C)O 255c79b1ecfe5100a12c3f45792442aa [0,2,0,0,0,0|1,0,1]=4 1756 B9R0.2 CCSCCNC[C@@H](C)O dce2c609bf5c9629ce4288427c7c1b86 [0,2,0,0,0,0|1,0,1]=4 1757 B9R0.2 CCSCCNC[C@H](C)O 57cfac9b9d430cd163d92566fb0015bb [0,2,0,0,0,0|1,0,1]=4 1758 B9R0.2 CN(C)CCNCCCO 2a4f293a035cd24f44f13c04e579a67b [0,2,0,0,0,0|1,0,1]=4 1759 B9R0.2 CN(C)CNCCCCO 578144c93f8ce06d17d0a26f26e05db9 [0,2,0,0,0,0|1,0,1]=4 1760 B9R0.2 COCCCCNC(C)C 76ef922fd8949c4600bb5547f94255b3 [0,2,0,0,0,0|1,0,1]=4 1761 B9R0.2 COCCCCOC(C)C 2673da365c8df0819dfc7bbaba2b5119 [0,2,0,0,0,0|1,0,1]=4 1762 B9R0.2 COCCCNCC(C)C bf566d23980e1ea260c63a591e9b663d [0,2,0,0,0,0|1,0,1]=4 1763 B9R0.2 COCCCNCC(C)O 3fa2a5428f19c5ffc20a47da566fdcc9 [0,2,0,0,0,0|1,0,1]=4 1764 B9R0.2 COCCCNC[C@@H](C)O 19ff1dcbdf3c48021f5a90586903a0ef [0,2,0,0,0,0|1,0,1]=4 1765 B9R0.2 COCCCNC[C@H](C)O d9eaf91d3d886af5c13acd54dbb750ef [0,2,0,0,0,0|1,0,1]=4 1766 B9R0.2 COCCCOCC(C)C 1272a422ddfd10e75e400223356cdd9a [0,2,0,0,0,0|1,0,1]=4 1767 B9R0.2 COCCCOCC(C)F eb6ba4f37920928c32191df79ebe3a6c [0,2,0,0,0,0|1,0,1]=4 1768 B9R0.2 COCCCOCC(C)S 137ee41dd5ea0c704156e5b0c5f62486 [0,2,0,0,0,0|1,0,1]=4 1769 B9R0.2 COCCCOC[C@@H](C)F 1ec6debb1bdf8a47dd1a791b34971197 [0,2,0,0,0,0|1,0,1]=4 1770 B9R0.2 COCCCOC[C@H](C)F 6e61567e3d77370f5edcd48e58109ce5 [0,2,0,0,0,0|1,0,1]=4 1771 B9R0.2 COCCNCCC(C)O 5a263a3731f96a2126baacd5857d34eb [0,2,0,0,0,0|1,0,1]=4 1772 B9R0.2 COCCNCC[C@@H](C)O f612119892ead8b98da5c14432e134c2 [0,2,0,0,0,0|1,0,1]=4 1773 B9R0.2 COCCNCC[C@H](C)O a9e2983c33d9a1a4326532535161c921 [0,2,0,0,0,0|1,0,1]=4 1774 B9R0.2 COCOC/C=C/C(C)C 2247e8dc0c7881c683e7873624b3fa21 [0,2,0,0,0,0|1,0,0]=3 1775 B9R0.2 CS(=O)CCNCCCO d14cc530c45b1a203d3d3eb1e9f81a62 [0,2,0,0,0,0|1,0,1]=4 1776 B9R0.2 CSCCNCCC(C)O 4a4c316f91a0372beec10a189d68dd5b [0,2,0,0,0,0|1,0,1]=4 1777 B9R0.2 CSCCNCC[C@@H](C)O 7a799516c179e00cbc9167de39b00a4c [0,2,0,0,0,0|1,0,1]=4 1778 B9R0.2 CSCCNCC[C@H](C)O 186d378f131bc2cabd51a436e26a9ce8 [0,2,0,0,0,0|1,0,1]=4 1779 B9R0.2 C[C@@H](O)CCNCCCF 521c04738e2931c8a66f22d645802491 [0,2,0,0,0,0|1,0,1]=4 1780 B9R0.2 C[C@@H](O)CCNCCCO 879875d53905068a86ee9621ae8c2b21 [0,2,0,0,0,0|0,0,2]=4 1781 B9R0.2 C[C@@H](O)CCNCCCS ebf487901d26eddea2cf7ce80728d7f7 [0,2,0,0,0,0|1,0,1]=4 1782 B9R0.2 C[C@@H](O)CNCC=CC#N d33677820d4c9c11b684d0c6c6fa739b [0,2,0,0,0,0|1,0,1]=4 1783 B9R0.2 C[C@@H](O)CNCCCCO fa414208f6ad4c98dcfebb658b545113 [0,2,0,0,0,0|0,0,2]=4 1784 B9R0.2 C[C@H](O)CCNCCCF d124f436f6525e8f868f951a59d90c84 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.2 C[C@H](O)CCNCCCO a698db67babc45413efb0087ad25aad2 [0,2,0,0,0,0|0,0,2]=4 1786 B9R0.2 C[C@H](O)CCNCCCS 35694b8a490fc55e24732d5b3a080a19 [0,2,0,0,0,0|1,0,1]=4 1787 B9R0.2 C[C@H](O)CNCC=CC#N 8760174513767720c2738527ebfd1583 [0,2,0,0,0,0|1,0,1]=4 1788 B9R0.2 C[C@H](O)CNCCCCO a15a5bb9bd70a0ca5b76d0de8e96df0c [0,2,0,0,0,0|0,0,2]=4 1789 B9R0.2 O=C(O)/C=C/CNCCO 93a89649b619dea89e7c11dfa7f7aa9d [0,2,0,0,0,0|1,0,1]=4 1790 B9R0.2 O=C(O)C=CCNCCO 9ade19e93c03b7906f649b0ba2e47aaa [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.2 OCCCCNCC(F)F 8f507c8d8f140fe6d88e4ea8b9233308 [0,2,0,0,0,0|1,0,1]=4 1792 B9R0.2 OCCCNCCC(F)F 002f8285491361720cd366578ace5440 [0,2,0,0,0,0|1,0,1]=4 1793 B9R0.45 C#CCCCNCCCO b300a29970529c1412a12ea9d482593c [0,2,0,0,0,0|1,0,1]=4 1794 B9R0.45 C#CCCNC/C=C/CC c16bc5631427074c7f23e4a2f05fdbb9 [0,2,0,0,0,0|1,0,0]=3 1795 B9R0.45 C#CCCNCCCCO f78936dcf0a298364ad55dd3663d7138 [0,2,0,0,0,0|1,0,1]=4 1796 B9R0.45 C#CCCOC/C=C/CC df743559e7adc136ab1b3ff4151f6490 [0,2,0,0,0,0|1,0,0]=3 1797 B9R0.45 C#CCCOC/C=C\CC 20b258e3fbd1a6ca4442bc10aaabb856 [0,2,0,0,0,0|1,0,0]=3 1798 B9R0.45 C#CCNC/C=C/CCC 3631d844d192f03b50290b501d009c6c [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.45 C#CCNC/C=C\CCC 92952493ab09232278608657bc9786a6 [0,2,0,0,0,0|1,0,1]=4 1800 B9R0.45 C#CCNCC/C=C\CC d31ee8ea5f5ce2798a814ea8c72aa0ad [0,2,0,0,0,0|1,0,0]=3 1801 B9R0.45 C#CCOC/C=C/CCC 8d094a7c1379ef4c9595dc248eb47eb8 [0,2,0,0,0,0|1,0,1]=4 1802 B9R0.45 C#CCOC/C=C\CCC c07a4175788f46653fa3c3036fb205f9 [0,2,0,0,0,0|1,0,1]=4 1803 B9R0.45 C#CCOCC/C=C/CC c23b6ff3165e2c405d442da9650e031e [0,2,0,0,0,0|1,0,0]=3 1804 B9R0.45 C#CCOCC/C=C\CC 37b0a4e3a365db5d411110af84c79eb0 [0,2,0,0,0,0|1,0,0]=3 1805 B9R0.45 C/C=C/C=C/COCCC 8f1e48b4facc41411447438079f84a28 [0,2,0,0,0,0|1,0,1]=4 1806 B9R0.45 C/C=C/C=C/COCCF 5694049e672fc6f5fad06a25351f412d [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.45 C/C=C/C=C/COCCS d3888aade3b067c13950d94387cb125a [0,2,0,0,0,0|0,1,1]=4 1808 B9R0.45 C/C=C/C=C/COCOC 5c2dc9c79dbd8663009901e5c7a8b64e [0,2,0,0,0,0|0,0,2]=4 1809 B9R0.45 C/C=C/CCCOCOC 1b054da1ebce7deeeff76f4b97613b27 [0,2,0,0,0,0|0,0,2]=4 1810 B9R0.45 C/C=C/CCOCCOC 59a729a9ab4033a1eb656d78838ea440 [0,2,0,0,0,0|0,0,2]=4 1811 B9R0.45 C/C=C/CNCCCCO ed0a9542760a19dc2971710326afc5ed [0,2,0,0,0,0|0,0,2]=4 1812 B9R0.45 C/C=C/CNCCCOC d2a8bcecabfc4119973e200bdda0f952 [0,2,0,0,0,0|0,0,2]=4 1813 B9R0.45 C/C=C/COC/C=C/CC 08aecd00e15053f1b6749f3f849cd2cf [0,2,0,0,0,0|1,0,1]=4 1814 B9R0.45 C/C=C/COC/C=C\CC 2d9abe3714f10ca8826106205917a43c [0,2,0,0,0,0|1,0,1]=4 1815 B9R0.45 C/C=C/COCCCOC 5f1bc5bcae94818ab169f2532d800a96 [0,2,0,0,0,0|0,0,2]=4 1816 B9R0.45 C/C=C\CCCNCCO 901ecd7afc50202c54f6e79e74ff88fa [0,2,0,0,0,0|0,0,2]=4 1817 B9R0.45 C/C=C\CCCOCOC 468d16367ade1ec2e5c893afddf6b7c0 [0,2,0,0,0,0|0,0,2]=4 1818 B9R0.45 C/C=C\CNCCCCO 1d08969d68ccbef78e75866e633febcf [0,2,0,0,0,0|0,0,2]=4 1819 B9R0.45 C/C=C\CNCCCOC 9d59f702f547863e47dcef2fd64f1076 [0,2,0,0,0,0|0,0,2]=4 1820 B9R0.45 C/C=C\COC/C=C/CC 6742c17469dacc11877f719b7150d31e [0,2,0,0,0,0|1,0,1]=4 1821 B9R0.45 C/C=C\COC/C=C\CC 0cade4bf908f9e61d5669b6ee1a01d52 [0,2,0,0,0,0|1,0,1]=4 1822 B9R0.45 C/C=C\COCCCOC 70d17fbec46f317997436441f1a708dd [0,2,0,0,0,0|0,0,2]=4 1823 B9R0.45 C=C/C=C/CCNCCO 2a247488c4634710e439f3040d5dea89 [0,2,0,0,0,0|0,0,2]=4 1824 B9R0.45 C=C/C=C/CCNCOC 4ad5ef978d058dd489935fa5cd5121e5 [0,2,0,0,0,0|0,0,2]=4 1825 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [0,2,0,0,0,0|1,0,1]=4 1826 B9R0.45 C=CCCNC/C=C/CC def195dbff5584bfe012c7ee379501c2 [0,2,0,0,0,0|1,0,0]=3 1827 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.45 C=CCCOC/C=C/CC 93f37936ec932f02a04d1af23fc6d4a6 [0,2,0,0,0,0|1,0,0]=3 1829 B9R0.45 C=CCCOC/C=C\CC 353d8f09b866f9610d2a0a5c958988fe [0,2,0,0,0,0|1,0,0]=3 1830 B9R0.45 C=CCOC/C=C/CCC 03f943a302f07b256fea7fe612c77864 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.45 C=CCOC/C=C\CCC 4432a6c92de315c9d357463297069e17 [0,2,0,0,0,0|1,0,1]=4 1832 B9R0.45 C=CCOCC/C=C/CC d3a6361fd98a3a77c09decf732113b8c [0,2,0,0,0,0|1,0,0]=3 1833 B9R0.45 C=CCOCC/C=C\CC 75e789e3e347a0b07ef9e85b5dbe7cef [0,2,0,0,0,0|1,0,0]=3 1834 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [0,2,0,0,0,0|1,0,1]=4 1835 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [0,2,0,0,0,0|1,0,1]=4 1836 B9R0.45 CC#CCNC/C=C/CC 6db46b48c34cf430f78c750a80694804 [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.45 CC#CCNCCCCO 0239c4bc2d098da478173ff0009a4c88 [0,2,0,0,0,0|1,0,1]=4 1838 B9R0.45 CC#CCOC/C=C/CC 60db2036cfb75fa577c1cbaa41bcec8e [0,2,0,0,0,0|1,0,1]=4 1839 B9R0.45 CC#CCOC/C=C\CC 063689b8062c4ebc9099fcda318b0377 [0,2,0,0,0,0|1,0,1]=4 1840 B9R0.45 CC/C=C/CCOCC#N bf4c789ee434fec2fbbb7b719e847697 [0,2,0,0,0,0|1,0,0]=3 1841 B9R0.45 CC/C=C/CCOCC=O ad17a670e163a34530891c854a5f696c [0,2,0,0,0,0|0,0,1]=3 1842 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [0,2,0,0,0,0|1,0,0]=3 1843 B9R0.45 CC/C=C/CCOCCF 67cb50c940f1ea24e380ed351a9e27a4 [0,2,0,0,0,0|1,0,0]=3 1844 B9R0.45 CC/C=C/CCOCCS 4e6dcfeca03f19c51d7947aefe2b01ad [0,2,0,0,0,0|0,1,0]=3 1845 B9R0.45 CC/C=C/CCOCOC 796ebdddd1f42ca6def4f4ec2bad3826 [0,2,0,0,0,0|0,0,0]=2 1846 B9R0.45 CC/C=C/CCOCSC ec77883b00b8cd5828d5d0af69a4f670 [0,2,0,0,0,0|0,1,0]=3 1847 B9R0.45 CC/C=C/CNCCC#N be67d58c102f001da88c118924c7ffc1 [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [0,2,0,0,0,0|1,0,0]=3 1849 B9R0.45 CC/C=C/CNCCCCl b9ac4f8eafa053970d753e8d21549eb1 [0,2,0,0,0,0|1,0,0]=3 1850 B9R0.45 CC/C=C/CNCCCO cb7b5cd9fbacab019b7f7229d9ec3bad [0,2,0,0,0,0|0,0,0]=2 1851 B9R0.45 CC/C=C/CNCCOC 0d24164802d3640a6fe81918b88b9dd2 [0,2,0,0,0,0|0,0,0]=2 1852 B9R0.45 CC/C=C/CNCCON 55291a68ac018e6182d65941efe6f3c9 [0,2,0,0,0,0|0,0,0]=2 1853 B9R0.45 CC/C=C/CNCCSC 7b3314ac243b2d89b88ee3c7957f607f [0,2,0,0,0,0|0,1,0]=3 1854 B9R0.45 CC/C=C/COC/C=C/Cl 2ce6b4e89bdd91f5deea0a5ba0ea4028 [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.45 CC/C=C/COC/C=C\Cl 3746ec55f5abdf8d38fce0f2252edb7e [0,2,0,0,0,0|1,0,1]=4 1856 B9R0.45 CC/C=C/COCC#CI ef32f018c6f08668166157030905a90c [0,2,0,0,0,0|1,0,1]=4 1857 B9R0.45 CC/C=C/COCC=CCl 7244268a89c1b035dd813eaba319a6d8 [0,2,0,0,0,0|1,0,1]=4 1858 B9R0.45 CC/C=C/COCCC#N 3efe37bf9cbde59408182e42b5d7164c [0,2,0,0,0,0|1,0,0]=3 1859 B9R0.45 CC/C=C/COCCC=O d6f550e324359bfac415f041e46bdeb8 [0,2,0,0,0,0|0,0,1]=3 1860 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [0,2,0,0,0,0|1,0,0]=3 1861 B9R0.45 CC/C=C/COCCCF 1bdd7c31c17136a0ee0cf9ba9dbb1645 [0,2,0,0,0,0|1,0,0]=3 1862 B9R0.45 CC/C=C/COCCCS b790b5be01e61725cece8582b2949c8d [0,2,0,0,0,0|0,1,0]=3 1863 B9R0.45 CC/C=C/COCCOC 2ab85f3f4b406678e53b18145e6c066d [0,2,0,0,0,0|0,0,0]=2 1864 B9R0.45 CC/C=C/COCCSC 18b89071df33ae0d8403f439f52dcb53 [0,2,0,0,0,0|0,1,0]=3 1865 B9R0.45 CC/C=C/COCOCC 50e4f4dcb8fa3a706b0c7b393f8b8c0d [0,2,0,0,0,0|1,0,0]=3 1866 B9R0.45 CC/C=C/COCSC#N 32636ee89385c9e68d6e8a92f041ed7e [0,2,0,0,0,0|1,0,1]=4 1867 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [0,2,0,0,0,0|0,0,0]=2 1868 B9R0.45 CC/C=C\CCCOCF 89d62a07184baba732326b74dc4dbaab [0,2,0,0,0,0|0,0,0]=2 1869 B9R0.45 CC/C=C\CCNCC#N 0b38e8432543b17cd15aa870f53e0eb7 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.45 CC/C=C\CCNCCBr d0103383ad5ee115dba2a58f31111ba9 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [0,2,0,0,0,0|1,0,0]=3 1872 B9R0.45 CC/C=C\CCNCCF e69284276f386d7b30fc1c6037cf6bba [0,2,0,0,0,0|1,0,0]=3 1873 B9R0.45 CC/C=C\CCNCCI 17b98b9b79873be0890495201214d847 [0,2,0,0,0,0|1,0,0]=3 1874 B9R0.45 CC/C=C\CCNCCO a24354b5170b61b119e5744674583b1d [0,2,0,0,0,0|0,0,0]=2 1875 B9R0.45 CC/C=C\CCNCCS ba9aaf18a6f89fc41cd3a82c946b808c [0,2,0,0,0,0|0,1,0]=3 1876 B9R0.45 CC/C=C\CCOCC#N c5cc4aa26373c4551193308f135ee433 [0,2,0,0,0,0|1,0,0]=3 1877 B9R0.45 CC/C=C\CCOCC=O 43305c6de6e2aa8f989b2fa311880427 [0,2,0,0,0,0|0,0,1]=3 1878 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [0,2,0,0,0,0|1,0,0]=3 1879 B9R0.45 CC/C=C\CCOCCF abbcbf46201292033d3f156f0dd55de6 [0,2,0,0,0,0|1,0,0]=3 1880 B9R0.45 CC/C=C\CCOCCS 7038af308828495d311d4bc2f471647f [0,2,0,0,0,0|0,1,0]=3 1881 B9R0.45 CC/C=C\CCOCOC 888241aa2c4a0a3e7d9b504c0bf516e6 [0,2,0,0,0,0|0,0,0]=2 1882 B9R0.45 CC/C=C\CCOCSC db623e610663b8da8c1cd9145a0ca2fa [0,2,0,0,0,0|0,1,0]=3 1883 B9R0.45 CC/C=C\COC/C=C/Cl 823a70ef508884192164d773461c2334 [0,2,0,0,0,0|1,0,1]=4 1884 B9R0.45 CC/C=C\COC/C=C\Cl 50086743d62854d1069854604f9e3d45 [0,2,0,0,0,0|1,0,1]=4 1885 B9R0.45 CC/C=C\COCCC#N f9bfce2c8b8c795f4f58b916d9f7a9b2 [0,2,0,0,0,0|1,0,0]=3 1886 B9R0.45 CC/C=C\COCCC=O c07660cf26a3506f42ef614da4e3c32d [0,2,0,0,0,0|0,0,1]=3 1887 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.45 CC/C=C\COCCCF 72a1b5ac285dce171db4f5111b128f43 [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.45 CC/C=C\COCCCS 6e33151a0a5cf56487e599bfb322c44a [0,2,0,0,0,0|0,1,0]=3 1890 B9R0.45 CC/C=C\COCCOC 4b82bbbe9d74c1cfc60aec77e1a195d5 [0,2,0,0,0,0|0,0,0]=2 1891 B9R0.45 CC/C=C\COCCSC a73a03f865a08d6a2c8e0d94d81b602b [0,2,0,0,0,0|0,1,0]=3 1892 B9R0.45 CC/C=C\COCOCC e813f39c64d857c1984d9d6aae25f396 [0,2,0,0,0,0|1,0,0]=3 1893 B9R0.45 CC/C=C\COCSC#N d85178bbcfd62f2044df13a9871451aa [0,2,0,0,0,0|1,0,1]=4 1894 B9R0.45 CC=C=CCCOCOC 2ea2ffe997b163beb4e7f2fab08a964f [0,2,0,0,0,0|0,0,2]=4 1895 B9R0.45 CC=CC=CCOCCC 56450f7f936a8924869fea1d2e9622e7 [0,2,0,0,0,0|1,0,1]=4 1896 B9R0.45 CC=CC=CCOCCF cf003ae42f274a2a51abc4d55a3d9ad5 [0,2,0,0,0,0|1,0,1]=4 1897 B9R0.45 CC=CC=CCOCCS fd2bebd1bde5b1550f8db823e1699724 [0,2,0,0,0,0|0,1,1]=4 1898 B9R0.45 CC=CC=CCOCOC 2596b7da8bf6acd45fbe82fe6390dd54 [0,2,0,0,0,0|0,0,2]=4 1899 B9R0.45 CC=CCCCOCOC 72b71ebeadbfae707e88713e17d937d7 [0,2,0,0,0,0|0,0,2]=4 1900 B9R0.45 CC=CCNC/C=C/CC e97bb245bec38e385a00d6c5659fd632 [0,2,0,0,0,0|1,0,1]=4 1901 B9R0.45 CC=CCNCCCCO b6b45149b09015d2bafd23ae2a68f9c1 [0,2,0,0,0,0|0,0,2]=4 1902 B9R0.45 CC=CCNCCCOC b51c625de33f835a1cb45133d506e071 [0,2,0,0,0,0|0,0,2]=4 1903 B9R0.45 CC=CCOC/C=C/CC 48441f285007ffe6d466ada70be3c31a [0,2,0,0,0,0|1,0,1]=4 1904 B9R0.45 CC=CCOCCCOC 0948e1eb74f1a2c9a6b4cce71af0db97 [0,2,0,0,0,0|0,0,2]=4 1905 B9R0.45 CCC#CCCOCOC 322ca921210d5c5eb3965eb82649e119 [0,2,0,0,0,0|0,0,2]=4 1906 B9R0.45 CCC#CCNCCCO 56e61b33038f74080b8801eda5dac878 [0,2,0,0,0,0|0,0,2]=4 1907 B9R0.45 CCC#CCNCCOC b1744ca4e0ff6b5a7be2c6e6779bc4fa [0,2,0,0,0,0|0,0,2]=4 1908 B9R0.45 CCC#CCNCCON 55be1b8925f01cec64536eb50b358246 [0,2,0,0,0,0|0,0,2]=4 1909 B9R0.45 CCC#CCOCCOC 5151a106b1c1f68e0c54b006d39d5af0 [0,2,0,0,0,0|0,0,2]=4 1910 B9R0.45 CCC/C=C/CNCC#N fbe3c67cf0e235a400481c0a5746eb54 [0,2,0,0,0,0|1,0,1]=4 1911 B9R0.45 CCC/C=C/CNCCBr d3e07a232209fe5440777ccc661728b3 [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [0,2,0,0,0,0|1,0,0]=3 1913 B9R0.45 CCC/C=C/CNCCF 0dab72024f268ec4fe15718f8c6d16aa [0,2,0,0,0,0|1,0,0]=3 1914 B9R0.45 CCC/C=C/CNCCI 14cbd69f62801cb004945a1ced893a63 [0,2,0,0,0,0|1,0,0]=3 1915 B9R0.45 CCC/C=C/CNCCO f36a34dbc29fb4af4c73acfa4003430e [0,2,0,0,0,0|0,0,0]=2 1916 B9R0.45 CCC/C=C/CNCCS a4179fa1a875de08e09efe6fda165673 [0,2,0,0,0,0|0,1,0]=3 1917 B9R0.45 CCC/C=C/COCC#N 117b712ae3e7472237c514a61745e4b5 [0,2,0,0,0,0|1,0,1]=4 1918 B9R0.45 CCC/C=C/COCC=O 4b38aa72153068d33113c423eeaba184 [0,2,0,0,0,0|0,0,2]=4 1919 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.45 CCC/C=C/COCCF 978a5208ddf8dbd1daab1fe6009fa3a9 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.45 CCC/C=C/COCCS 70b6887423dff1b8abacdf0010010f4d [0,2,0,0,0,0|0,1,0]=3 1922 B9R0.45 CCC/C=C/COCOC 2ed18a1d7b328c128b9c9b7fe376ba14 [0,2,0,0,0,0|1,0,0]=3 1923 B9R0.45 CCC/C=C/COCSC 0ed1754b723aa10b4a46ff1120cdef70 [0,2,0,0,0,0|1,1,0]=4 1924 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [0,2,0,0,0,0|1,0,0]=3 1925 B9R0.45 CCC/C=C\CCOCF 2b67d157ac69da426b717a823272f886 [0,2,0,0,0,0|1,0,0]=3 1926 B9R0.45 CCC/C=C\CNCC#N 11e95d5c0b3e6570d0367c63b63da1d0 [0,2,0,0,0,0|1,0,1]=4 1927 B9R0.45 CCC/C=C\CNCCBr 1aaf2cfe08984012d1434b649e6912e9 [0,2,0,0,0,0|1,0,0]=3 1928 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [0,2,0,0,0,0|1,0,0]=3 1929 B9R0.45 CCC/C=C\CNCCF 5c94f11b70b72a7893a0fbf9a05ecedd [0,2,0,0,0,0|1,0,0]=3 1930 B9R0.45 CCC/C=C\CNCCI df01ebe4e9c691b07bce3ffc9f21436a [0,2,0,0,0,0|1,0,0]=3 1931 B9R0.45 CCC/C=C\CNCCO cfdbb07d9a559faa9d3964c84bf4e450 [0,2,0,0,0,0|0,0,0]=2 1932 B9R0.45 CCC/C=C\CNCCS 3cb85b4e8829d8514180b7119d194cda [0,2,0,0,0,0|0,1,0]=3 1933 B9R0.45 CCC/C=C\COCC#N cd51cf1f88e77393a7b272fb111641ce [0,2,0,0,0,0|1,0,1]=4 1934 B9R0.45 CCC/C=C\COCC=O bf01e182e8daf457f7933faee15ce932 [0,2,0,0,0,0|0,0,2]=4 1935 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [0,2,0,0,0,0|1,0,0]=3 1936 B9R0.45 CCC/C=C\COCCF 511c03796cf7185b66b2da83396e230d [0,2,0,0,0,0|1,0,0]=3 1937 B9R0.45 CCC/C=C\COCCS 069417b43be98e62668d665c91d715b3 [0,2,0,0,0,0|0,1,0]=3 1938 B9R0.45 CCC/C=C\COCOC 55ea190b49bb7f6c2655f389f986e42c [0,2,0,0,0,0|1,0,0]=3 1939 B9R0.45 CCC/C=C\COCSC b8b2c6e8294ce2f2ef38018053320a26 [0,2,0,0,0,0|1,1,0]=4 1940 B9R0.45 CCCC/C=C/CNC#N 5fcb552ea360519043e1e3f8e2337226 [0,2,0,0,0,0|1,0,1]=4 1941 B9R0.45 CCCC/C=C/COCC 054a7450f451f94427ddda8cd9685a27 [0,2,0,0,0,0|1,0,0]=3 1942 B9R0.45 CCCC/C=C/COCF 57bc10b07f573c8f193a7f880638046b [0,2,0,0,0,0|1,0,0]=3 1943 B9R0.45 CCCC/C=C\CNC#N 4c8b44f30258cb06ada297a402acc5e2 [0,2,0,0,0,0|1,0,1]=4 1944 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [0,2,0,0,0,0|0,0,2]=4 1945 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [0,2,0,0,0,0|0,0,2]=4 1946 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [0,2,0,0,0,0|0,0,2]=4 1947 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [0,2,0,0,0,0|0,0,2]=4 1948 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [0,2,0,0,0,0|0,0,2]=4 1949 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [0,2,0,0,0,0|0,0,2]=4 1950 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [0,2,0,0,0,0|0,0,2]=4 1951 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [0,2,0,0,0,0|0,0,2]=4 1952 B9R0.45 CCCCCNCCON 3f6e33ed7c17c07fd46f073b64cb680f [0,2,0,0,0,0|0,0,2]=4 1953 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [0,2,0,0,0,0|0,0,2]=4 1954 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [0,2,0,0,0,0|0,0,2]=4 1955 B9R0.45 CCCCNCCCOC 788f960a3da4a154a6d1eb4fd6357034 [0,2,0,0,0,0|0,0,2]=4 1956 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [0,2,0,0,0,0|0,0,2]=4 1957 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [0,2,0,0,0,0|0,0,2]=4 1958 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [0,2,0,0,0,0|0,0,2]=4 1959 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [0,2,0,0,0,0|0,0,2]=4 1960 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [0,2,0,0,0,0|0,0,2]=4 1961 B9R0.45 CCCNCCCCON 9849545adc0af6ce550f1dc9bd374ca6 [0,2,0,0,0,0|0,0,2]=4 1962 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [0,2,0,0,0,0|0,0,2]=4 1964 B9R0.45 CCCNCCOCOC bd87fbe1594af723cfb8d704107437f4 [0,2,0,0,0,0|1,0,1]=4 1965 B9R0.45 CCCNCCSCCO 1f86c5fc79a4d95fd86404e323963902 [0,2,0,0,0,0|0,0,2]=4 1966 B9R0.45 CCCNCOCCOC 1ff4fcd517daf00624ce18ae1c71f022 [0,2,0,0,0,0|1,0,1]=4 1967 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [0,2,0,0,0,0|0,0,2]=4 1968 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [0,2,0,0,0,0|0,0,2]=4 1969 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [0,2,0,0,0,0|1,0,1]=4 1970 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [0,2,0,0,0,0|0,0,2]=4 1971 B9R0.45 CCCOCCNCOC 8cb8215fa14e9a27a7b43ec8cd96ceda [0,2,0,0,0,0|1,0,1]=4 1972 B9R0.45 CCCOCCOCOC d883cdf177c224a93accb6f6a22cfd33 [0,2,0,0,0,0|1,0,1]=4 1973 B9R0.45 CCCOCOCCOC f5c30870d8f3cceba2555c383ac9ca27 [0,2,0,0,0,0|1,0,1]=4 1974 B9R0.45 CCCSCCOCOC a9485f0728bb45c5a3674595a8b65d75 [0,2,0,0,0,0|1,0,1]=4 1975 B9R0.45 CCNCCCCCCO 59b1923e7d0b8671db87a813cf6b4ab5 [0,2,0,0,0,0|0,0,2]=4 1976 B9R0.45 CCNCCCCCOC fc15d1f5a98279f7f6e7e0686f586bf9 [0,2,0,0,0,0|0,0,2]=4 1977 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [0,2,0,0,0,0|0,0,2]=4 1978 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [0,2,0,0,0,0|0,0,2]=4 1979 B9R0.45 CCNCCOCCOC 970ed445813bc968f3810e0a25a03d0b [0,2,0,0,0,0|1,0,1]=4 1980 B9R0.45 CCNCCOCCON d037f668e2ed6f960fc2cbfb57c1b1eb [0,2,0,0,0,0|1,0,1]=4 1981 B9R0.45 CCNCCSSCCO 673e87d46c27e2b73b6faaf5c4761b73 [0,2,0,0,0,0|1,0,1]=4 1982 B9R0.45 CCOCCCNCCO 2b9ad8b94ae5a803722e62535f4291fd [0,2,0,0,0,0|0,0,2]=4 1983 B9R0.45 CCOCCCNCOC 243308dd7027c1d01ea9bef7d5d8999c [0,2,0,0,0,0|1,0,1]=4 1984 B9R0.45 CCOCCCOCOC 49ca5418b13db09e21d4436e86edc1d1 [0,2,0,0,0,0|1,0,1]=4 1985 B9R0.45 CCOCCNCCCO f920b2cdd5960150c1761b62d58446b4 [0,2,0,0,0,0|0,0,2]=4 1986 B9R0.45 CCOCCNCCOC 75c2abf510459240d25a125a6ea3ce5b [0,2,0,0,0,0|1,0,1]=4 1987 B9R0.45 CCOCCNCCON 62df95e9f6e4021a86c83d73768be514 [0,2,0,0,0,0|1,0,1]=4 1988 B9R0.45 CCOCCOCCOC 47de0acc7a7446e675a0f9ec56feeb8a [0,2,0,0,0,0|1,0,1]=4 1989 B9R0.45 CCOCNCCCCO 8a098d07046f425046fb40aa034ce721 [0,2,0,0,0,0|0,0,2]=4 1990 B9R0.45 CCOCNCCCOC 2d6757fddb21233ca70829ffaa9b46d4 [0,2,0,0,0,0|1,0,1]=4 1991 B9R0.45 CCOCOCCCOC 24c9ae5c69bc9210f5986ab438ee08a2 [0,2,0,0,0,0|1,0,1]=4 1992 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [0,2,0,0,0,0|0,0,2]=4 1993 B9R0.45 CCSCCCNCCO b73a81c9666f167eb7df0d9e4e845db9 [0,2,0,0,0,0|0,0,2]=4 1994 B9R0.45 CCSCCCOCOC 5cadd01a1a128aae76cfa321e1740b2e [0,2,0,0,0,0|1,0,1]=4 1995 B9R0.45 CCSCCNCCCO d094498045f2b61ea374614f3a36e63e [0,2,0,0,0,0|0,0,2]=4 1996 B9R0.45 CCSCCNCCOC 86cd4ec12f4d8a6c1f9298f7f7dcd921 [0,2,0,0,0,0|1,0,1]=4 1997 B9R0.45 CCSCCNCCON 657d5675eb1b439269df280727c35c2b [0,2,0,0,0,0|1,0,1]=4 1998 B9R0.45 CCSCCOCCOC 2b34995cce28f50875bf8f33b2ea66ef [0,2,0,0,0,0|1,0,1]=4 1999 B9R0.45 COCC#CCNCCO 9fe1118b1b3c412c44715b356f33b25d [0,2,0,0,0,0|0,0,2]=4 2000 B9R0.45 COCCCCCNCO bcbefdff7df1910d96b91030fdd66d71 [0,2,0,0,0,0|0,0,2]=4 2001 B9R0.45 COCCCCNCCBr 97767679fa62d1a1b91d15f80eddb1d6 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.45 COCCCCNCCF ba2ac83f2fcd35fabef5cdb647f80efd [0,2,0,0,0,0|1,0,1]=4 2003 B9R0.45 COCCCCNCCI 778c59a999b7783df4b42505b3a435d0 [0,2,0,0,0,0|1,0,1]=4 2004 B9R0.45 COCCCCNCCO c64f84dda1c7e1a3b83c8677baf02563 [0,2,0,0,0,0|0,0,2]=4 2005 B9R0.45 COCCCCNCCS ddae4248a4aad5b190586bd8b6b12b9d [0,2,0,0,0,0|1,0,1]=4 2006 B9R0.45 COCCCCNCOC 67b615b8140985a10b44d49626d657d8 [0,2,0,0,0,0|1,0,1]=4 2007 B9R0.45 COCCCCNCSC 5c83e7734059a90ac65b14037a0640f2 [0,2,0,0,0,0|1,0,1]=4 2008 B9R0.45 COCCCCOCCF 8d811c473848c1b9e465e0faa6d2b7f8 [0,2,0,0,0,0|1,0,1]=4 2009 B9R0.45 COCCCCOCCS 9c136081df91fabb4e2b6ddd13f67835 [0,2,0,0,0,0|1,0,1]=4 2010 B9R0.45 COCCCCOCOC 079bab4bc7a5d63b09a4a47180aaff22 [0,2,0,0,0,0|1,0,1]=4 2011 B9R0.45 COCCCCOCSC b96665b11f1788b8d409908b6cf086a3 [0,2,0,0,0,0|1,0,1]=4 2012 B9R0.45 COCCCNCCCCl 9705b394217ae148696e911425352b68 [0,2,0,0,0,0|1,0,1]=4 2013 B9R0.45 COCCCNCCCF 8df049e100a0386cf0d931a2444deb4c [0,2,0,0,0,0|1,0,1]=4 2014 B9R0.45 COCCCNCCCO 80827af578dfd9221e88944d50b47203 [0,2,0,0,0,0|0,0,2]=4 2015 B9R0.45 COCCCNCCCS 240c33c55966b2ccef0c7ff92e4b95f8 [0,2,0,0,0,0|1,0,1]=4 2016 B9R0.45 COCCCNCCOC 6bf3edf2364e9dd1912a1db5e7adaa8b [0,2,0,0,0,0|1,0,1]=4 2017 B9R0.45 COCCCNCCSC 6bbd1571862ae642047d09ba11e4e807 [0,2,0,0,0,0|1,0,1]=4 2018 B9R0.45 COCCCOCCCF be4a7b6bffc7bdbc6be013e25622971e [0,2,0,0,0,0|1,0,1]=4 2019 B9R0.45 COCCCOCCCS d2c23fd40bfcae6efbc6c9cb789a4072 [0,2,0,0,0,0|1,0,1]=4 2020 B9R0.45 COCCCOCCOC 8d4448045401a91e89d55c0e8329b120 [0,2,0,0,0,0|1,0,1]=4 2021 B9R0.45 COCCCOCCSC 548dd75bb9b1b4662b5fbabbfd265b58 [0,2,0,0,0,0|1,0,1]=4 2022 B9R0.45 COCCNCC=CC#N c46c92c5f7c4b72c4a2460407a0057cb [0,2,0,0,0,0|1,0,1]=4 2023 B9R0.45 COCCNCCCCO 98a0ba2b4e7cfdb77ca7eb5bd158bcce [0,2,0,0,0,0|0,0,2]=4 2024 B9R0.45 COCCOC/C=C/C=O 967f18e0ff39d9ac3e3f1923f75f6062 [0,2,0,0,0,0|1,0,1]=4 2025 B9R0.45 COCCOCC=CC#N cce3296742caf57b2392605129228390 [0,2,0,0,0,0|1,0,1]=4 2026 B9R0.45 COCCOCCNCO 05973b287fa9a329d3342646c56537ea [0,2,0,0,0,0|1,0,1]=4 2027 B9R0.45 COCCOCNCCO 1a3b2f737d2297ee8b3affcbcdf81bf8 [0,2,0,0,0,0|1,0,1]=4 2028 B9R0.45 COCNCCCCCO 1110af8acba3f65702890e8caffb75f5 [0,2,0,0,0,0|0,0,2]=4 2029 B9R0.45 COCNCCOCCO 1da88cf2a1c2147369d2abddbd3488c7 [0,2,0,0,0,0|1,0,1]=4 2030 B9R0.45 COCNCCSCCO da2de3f2060d714537b5c454e71c23fe [0,2,0,0,0,0|1,0,1]=4 2031 B9R0.45 COCOCCNCCO 212d5102cb8e584987c2fdeefb400141 [0,2,0,0,0,0|1,0,1]=4 2032 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [0,2,0,0,0,0|0,0,2]=4 2033 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [0,2,0,0,0,0|0,0,2]=4 2034 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [0,2,0,0,0,0|0,0,2]=4 2035 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [0,2,0,0,0,0|0,0,2]=4 2036 B9R0.45 CSCNCCOCCO 3f6d9b2c1977cf4d4b077513e63071bc [0,2,0,0,0,0|1,0,1]=4 2037 B9R0.45 CSCNCCSCCO 99a783dc0b037d6b87258665dff4824c [0,2,0,0,0,0|1,0,1]=4 2038 B9R0.45 N#CC=CCNCCCO b03b4c3c2bb12ded5392ae36fc52763e [0,2,0,0,0,0|1,0,1]=4 2039 B9R0.45 N#CC=CCNCCON 68356858f595d0eb3572dcd42a75e8e5 [0,2,0,0,0,0|1,0,1]=4 2040 B9R0.45 N#CCCCNCCCO 405707629da08b0419a19bb721585805 [0,2,0,0,0,0|1,0,1]=4 2041 B9R0.45 N#CCCNCCCCO 8f31110df948a5da40f0fc55e4e2b411 [0,2,0,0,0,0|1,0,1]=4 2042 B9R0.45 NOCCCCNCCBr 2cbb9b1f5fa15a0cb11d2d1a54069b68 [0,2,0,0,0,0|1,0,1]=4 2043 B9R0.45 NOCCCCNCCF 10f842002b86ebb015645863174f6d5a [0,2,0,0,0,0|1,0,1]=4 2044 B9R0.45 NOCCCCNCCI 4bc1d3a6214dfb3b4d79e66c7249aab3 [0,2,0,0,0,0|1,0,1]=4 2045 B9R0.45 NOCCCCNCCO 1d50ca22b804edf20454494705831695 [0,2,0,0,0,0|1,0,1]=4 2046 B9R0.45 NOCCCCNCCS 25e84b54ccd0981b7c564b347fc200ff [0,2,0,0,0,0|1,0,1]=4 2047 B9R0.45 NOCCNCCCCO 52a45d1382cbb83a17f55fac93f63db8 [0,2,0,0,0,0|1,0,1]=4 2048 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [0,2,0,0,0,0|1,0,1]=4 2049 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [0,2,0,0,0,0|1,0,1]=4 2050 B9R0.45 OCCCCCCNCF 9f8dd59df8b832f35306dcc311b8ba0b [0,2,0,0,0,0|0,0,2]=4 2051 B9R0.45 OCCCCCCNCO b03974d5eaea260ed44c4429a42a8efd [0,2,0,0,0,0|0,0,2]=4 2052 B9R0.45 OCCCCCNCCBr b6fe72a70aa9ee94c38953fc5fa03507 [0,2,0,0,0,0|0,0,2]=4 2053 B9R0.45 OCCCCCNCCF efe70d32a4c6133cd05e8c1bf8301a0a [0,2,0,0,0,0|0,0,2]=4 2054 B9R0.45 OCCCCCNCCI 4b343205ce8465baed90cb0f419c6c4d [0,2,0,0,0,0|0,0,2]=4 2055 B9R0.45 OCCCCCNCCO c6e0d5af126a56a449acd76dabb0d0a6 [0,2,0,0,0,0|0,0,2]=4 2056 B9R0.45 OCCCCCNCCS 81db03003d62237a4ac003bf8b7c1409 [0,2,0,0,0,0|0,0,2]=4 2057 B9R0.45 OCCCCNCCCCl 5d4dd36721e99428cdc35a6893c3e2fe [0,2,0,0,0,0|0,0,2]=4 2058 B9R0.45 OCCCCNCCCF 6f20b166a61175e5d8c115f1b02448f2 [0,2,0,0,0,0|0,0,2]=4 2059 B9R0.45 OCCCCNCCCO 5785bad1b39de5e973646d0653e00598 [0,2,0,0,0,0|0,0,2]=4 2060 B9R0.45 OCCCCNCCCS 15be786d5d00bee1f4424bf326f6da44 [0,2,0,0,0,0|0,0,2]=4 2061 B9R0.45 OCCCNCCCCCl 19919d9b789640b88d6d653b90e1be74 [0,2,0,0,0,0|0,0,2]=4 2062 B9R0.45 OCCCNCCCCF 1b694695d8d20de2554ac05a72c91dce [0,2,0,0,0,0|0,0,2]=4 2063 B9R0.45 OCCCNCCCCS 8e91b12d63d803cd106ce9f5169f8923 [0,2,0,0,0,0|0,0,2]=4 2064 B9R0.45 OCCCOCCNCF f15212b83baac0e86e02d9bfc9f13e21 [0,2,0,0,0,0|1,0,1]=4 2065 B9R0.45 OCCCOCCNCO adf9c5412c7d79ddb7d51a3b681206a7 [0,2,0,0,0,0|1,0,1]=4 2066 B9R0.45 OCCNCCCCCCl e9f98005127c4b0d506088db3b60ee60 [0,2,0,0,0,0|0,0,2]=4 2067 B9R0.45 OCCNCCCCCF 758b4b8080a41888cab6ab1d11640066 [0,2,0,0,0,0|0,0,2]=4 2068 B9R0.45 OCCNCCOCCO 738d9a58e61a829fda527d98ac0aace0 [0,2,0,0,0,0|1,0,1]=4 2069 B9R0.45 OCCNCCOCCS 77b8bca58d3328fbc8cbcb6a3161e065 [0,2,0,0,0,0|1,0,1]=4 2070 B9R0.45 OCCNCCSCCO c40e174c1528287e3a14af235e30f4e0 [0,2,0,0,0,0|1,0,1]=4 2071 B9R0.45 OCCOCCCNCO 688d61aba6220aada25220f9acf32fc2 [0,2,0,0,0,0|1,0,1]=4 2072 B9R0.45 OCCOCCNCCBr 9e15f8ab3e4b91cb7a5ea99d602cb86b [0,2,0,0,0,0|1,0,1]=4 2073 B9R0.45 OCCOCCNCCF f5cacd935e52b07e3be64815286a31ea [0,2,0,0,0,0|1,0,1]=4 2074 B9R0.45 OCCOCCNCCI 08f80c33f335ed8ead37ca35ba76eefc [0,2,0,0,0,0|1,0,1]=4 2075 B9R0.45 OCCOCCNCCS fa627b1fd01ce2d0475f2611582b4d83 [0,2,0,0,0,0|1,0,1]=4 2076 B9R0.45 OCCSCCNCCF e1b7d335a7dafc6993f4bf68c3209734 [0,2,0,0,0,0|1,0,1]=4 2077 B9R0.45 OCCSCCNCCS 7b8a912ab382d7a2e058e3b468c1bf37 [0,2,0,0,0,0|1,0,1]=4 2078 B9R0.45 OCCSSCCNCO 930bd4add62ed3a2a85beed66ae2f739 [0,2,0,0,0,0|2,0,0]=4 2079 B9R0.45 OCNCCCCCCCl 6c66f104945205670f9512f61ea483f8 [0,2,0,0,0,0|0,0,2]=4 2080 B9R0.46 C#CC(C)NC/C=C/CC 817194a02a148edd727e0b1868787754 [0,2,0,0,0,0|1,0,1]=4 2081 B9R0.46 C#CC(C)NCCCCO b6315ce9002f2a8895c1ca5029c9b5cf [0,2,0,0,0,0|1,0,1]=4 2082 B9R0.46 C#CC(C)OC/C=C/CC 56ca9b870e68273d0a3107f583a9c9ef [0,2,0,0,0,0|1,0,1]=4 2083 B9R0.46 C#CC(C)OC/C=C\CC 0ebecdf83e4c2cf0d25a6282272bea89 [0,2,0,0,0,0|1,0,1]=4 2084 B9R0.46 C#CCCCNC(=O)CC 22853a975cddc205ba646607de5c5c46 [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.46 C#C[C@@H](C)NC/C=C/CC 26d2a4c401594ac92978164cc64fd6ed [0,2,0,0,0,0|1,0,1]=4 2086 B9R0.46 C#C[C@@H](C)NCCCCO de66874c31f18cd37d3699702db44120 [0,2,0,0,0,0|1,0,1]=4 2087 B9R0.46 C#C[C@@H](C)OC/C=C/CC 6a753490197b612938cc6a20814c1606 [0,2,0,0,0,0|1,0,1]=4 2088 B9R0.46 C#C[C@H](C)NC/C=C/CC b962f269e5dc937772a3c07fd22a1e14 [0,2,0,0,0,0|1,0,1]=4 2089 B9R0.46 C#C[C@H](C)NCCCCO 2d4902d89bd8ef09b05d71e132a9b6b4 [0,2,0,0,0,0|1,0,1]=4 2090 B9R0.46 C#C[C@H](C)OC/C=C/CC 5496016c0bce662e25e5d712a7cb26e6 [0,2,0,0,0,0|1,0,1]=4 2091 B9R0.46 C/C=C/CNCC(C)CO ab5421bbd835ad930535b294d031db45 [0,2,0,0,0,0|0,0,2]=4 2092 B9R0.46 C/C=C/CNCC(F)CO 84d7428ac547962eac56b3925bfd94c0 [0,2,0,0,0,0|0,0,2]=4 2093 B9R0.46 C/C=C/CNCC(O)CO 7bce4064b4f72c9257bbf486a84ab516 [0,2,0,0,0,0|0,0,2]=4 2094 B9R0.46 C/C=C/CNC[C@@H](F)CO 9070668e0f09fd6e101a435b3b3e30ea [0,2,0,0,0,0|0,0,2]=4 2095 B9R0.46 C/C=C/CNC[C@@H](O)CO 4a2a980bcb14a308ddf26e66cb803066 [0,2,0,0,0,0|0,0,2]=4 2096 B9R0.46 C/C=C/CNC[C@H](C)CO 56b68322e4d28659244fa70482aa2520 [0,2,0,0,0,0|0,0,2]=4 2097 B9R0.46 C/C=C/CNC[C@H](F)CO b45c6fcd4574b69a55d513b27ff4e0d2 [0,2,0,0,0,0|0,0,2]=4 2098 B9R0.46 C/C=C/CNC[C@H](O)CO 3e859a6ebdc589f2ec8f3e26de72a7cb [0,2,0,0,0,0|0,0,2]=4 2099 B9R0.46 C/C=C/COCC(O)CO 2f0e050b49b272af8fcc5caed2abe4ec [0,2,0,0,0,0|0,0,2]=4 2100 B9R0.46 C/C=C/COC[C@@H](O)CO 9f5a8f6eebc63712f31914171f9c7b1a [0,2,0,0,0,0|0,0,2]=4 2101 B9R0.46 C/C=C/COC[C@H](O)CO db5a3e1e7883b14512ec70d567c5ad47 [0,2,0,0,0,0|0,0,2]=4 2102 B9R0.46 C/C=C\CNCC(C)CO d392fc89cb262b48ad6360d2f7e85ea1 [0,2,0,0,0,0|0,0,2]=4 2103 B9R0.46 C/C=C\CNCC(F)CO 422ed2906f71e82e00dc491c1d9e81fa [0,2,0,0,0,0|0,0,2]=4 2104 B9R0.46 C/C=C\CNCC(O)CO 00e6e847a71938f0a87066f0adad65be [0,2,0,0,0,0|0,0,2]=4 2105 B9R0.46 C/C=C\CNC[C@@H](F)CO 421256ee5fc63fe24c21a8ebd0bcb0e8 [0,2,0,0,0,0|0,0,2]=4 2106 B9R0.46 C/C=C\CNC[C@@H](O)CO fe483b1a9d8a3edf90ce582d65f60a82 [0,2,0,0,0,0|0,0,2]=4 2107 B9R0.46 C/C=C\CNC[C@H](C)CO a793a2e174cc4e1a832fd9d07c9e24e5 [0,2,0,0,0,0|0,0,2]=4 2108 B9R0.46 C/C=C\CNC[C@H](F)CO 2384faf466aa4b63d311f9d6539c410d [0,2,0,0,0,0|0,0,2]=4 2109 B9R0.46 C/C=C\CNC[C@H](O)CO 9bb37abbaf3ce3c27fa0d2e8bc70e658 [0,2,0,0,0,0|0,0,2]=4 2110 B9R0.46 C/C=C\COCC(O)CO f5c835aeedaf9fbcfadf9fd55a5951c4 [0,2,0,0,0,0|0,0,2]=4 2111 B9R0.46 C/C=C\COC[C@@H](O)CO b0f929380a5368e7fe57cef9d4cab203 [0,2,0,0,0,0|0,0,2]=4 2112 B9R0.46 C/C=C\COC[C@H](O)CO 9c2eb72901fddf373bf6eee13cb436ba [0,2,0,0,0,0|0,0,2]=4 2113 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [0,2,0,0,0,0|1,0,1]=4 2114 B9R0.46 C=C(CC)CNCCCCl aa9ee8e5d0eb733dee11d31278b22f7f [0,2,0,0,0,0|1,0,1]=4 2115 B9R0.46 C=C(CC)CNCCCO 18776204e4c91a3cb89e6a2582d8ff83 [0,2,0,0,0,0|0,0,1]=3 2116 B9R0.46 C=C(CC)CNCCOC 5555ddf873997220217a7c3eff4eafc7 [0,2,0,0,0,0|1,0,1]=4 2117 B9R0.46 C=C(CC)CNCCON 1be69c82c909112a0c20ed1d5c766f58 [0,2,0,0,0,0|1,0,1]=4 2118 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [0,2,0,0,0,0|1,0,1]=4 2119 B9R0.46 C=C(CC)COCCCF 606ee8b87c49f2e16cdc40d0e48eedf5 [0,2,0,0,0,0|1,0,1]=4 2120 B9R0.46 C=C(CC)COCCCS 3d924064c5c8408c214bf804208192ce [0,2,0,0,0,0|0,1,1]=4 2121 B9R0.46 C=C(CC)COCCOC 765ed6b2fd081ea849da95119a8147ed [0,2,0,0,0,0|1,0,1]=4 2122 B9R0.46 C=C(CNCCCO)OC 00a68e6630546f3feaa98f7b90135299 [0,2,0,0,0,0|1,0,1]=4 2123 B9R0.46 C=C(CO)CNCCCO ab71bb268ba59b042df3282ecfd16849 [0,2,0,0,0,0|1,0,1]=4 2124 B9R0.46 C=CC(C)NC/C=C/CC b7795d828a86e12925e231305d85e301 [0,2,0,0,0,0|1,0,1]=4 2125 B9R0.46 C=CC(C)NCCCCO 4b58e19f068eedec9797ff448a136342 [0,2,0,0,0,0|1,0,1]=4 2126 B9R0.46 C=CC(C)OC/C=C/CC c25f8c0604448d70861fb038212cd76e [0,2,0,0,0,0|1,0,1]=4 2127 B9R0.46 C=CC(C)OC/C=C\CC c6d7b1e8c9893b98ebf7cf9ff1627a69 [0,2,0,0,0,0|1,0,1]=4 2128 B9R0.46 C=CCCCNC(=O)CC 892a3eaa46528c34d33fea9f5a3dcf16 [0,2,0,0,0,0|2,0,0]=4 2129 B9R0.46 C=C[C@H](C)OC/C=C/CC 26f617b80b79bdb4dc90d9d2cad25e1e [0,2,0,0,0,0|1,0,1]=4 2130 B9R0.46 CC(C#N)CNCCCO 5328d32aa15b8bf5c6c4e0f47b71b6fb [0,2,0,0,0,0|1,0,1]=4 2131 B9R0.46 CC(C#N)NCCCCO 9c645ee98f46c18353a577fe81e959d5 [0,2,0,0,0,0|1,0,1]=4 2132 B9R0.46 CC(C=O)NCCCCO 058005ffd19202b24a3052385e7ba593 [0,2,0,0,0,0|1,0,1]=4 2133 B9R0.46 CC(CO)CCNCCBr d5512932876703e37ddbe63764b68caf [0,2,0,0,0,0|1,0,1]=4 2134 B9R0.46 CC(CO)CCNCCF 427321b3d46c5317c8fcfef77eb7104f [0,2,0,0,0,0|1,0,1]=4 2135 B9R0.46 CC(CO)CCNCCI 258877afaa10299d965d5e25ea35cbd4 [0,2,0,0,0,0|1,0,1]=4 2136 B9R0.46 CC(CO)CCNCCO b5e602a30fab3c9a00738e92a66cfe89 [0,2,0,0,0,0|1,0,1]=4 2137 B9R0.46 CC(CO)CCNCCS 2fb7ea32966e847cb62fafd7246ab1ff [0,2,0,0,0,0|1,0,1]=4 2138 B9R0.46 CC(CO)CNCCCCl da1f8a2c9df29012792954d560a7ecdd [0,2,0,0,0,0|1,0,1]=4 2139 B9R0.46 CC(CO)CNCCCF 03c9e27bb9064bd48b0dd6465abfbc80 [0,2,0,0,0,0|1,0,1]=4 2140 B9R0.46 CC(CO)CNCCCO f183a46b651f931c66f01157cf801aa4 [0,2,0,0,0,0|1,0,1]=4 2141 B9R0.46 CC(CO)CNCCCS cc55fd36412a5b41660da90917d53cb2 [0,2,0,0,0,0|1,0,1]=4 2142 B9R0.46 CC(CO)NCC=CC#N 3023ce795aef98735a4619f3537266a7 [0,2,0,0,0,0|1,0,1]=4 2143 B9R0.46 CC(CO)NCCCCO b4c2fd76ab0f842dde612e033dca7666 [0,2,0,0,0,0|1,0,1]=4 2144 B9R0.46 CC/C=C/CNC(C)C#N 34eab2db9ab2b8f21ba386ed3c5fffeb [0,2,0,0,0,0|1,0,1]=4 2145 B9R0.46 CC/C=C/CNC(C)CC d3bf59e3825893c6266acc8de8c2727a [0,2,0,0,0,0|1,0,0]=3 2146 B9R0.46 CC/C=C/CNC(C)CO 397b894ceaff2ab37997d2c42132e9b2 [0,2,0,0,0,0|0,0,0]=2 2147 B9R0.46 CC/C=C/CN[C@@H](C)CC 59eef9e844fa0d117e0811d3ad35107c [0,2,0,0,0,0|1,0,0]=3 2148 B9R0.46 CC/C=C/CN[C@@H](C)CO a1290da644d8b772b607b6b58f177397 [0,2,0,0,0,0|0,0,0]=2 2149 B9R0.46 CC/C=C/CN[C@H](C)CC c4b9a2c318d2226ce88e595d485ab4ff [0,2,0,0,0,0|1,0,0]=3 2150 B9R0.46 CC/C=C/CN[C@H](C)CO 575f669c7112987e8528c1d5e0e9dec4 [0,2,0,0,0,0|0,0,0]=2 2151 B9R0.46 CC/C=C/COC(C)C#N 36c0db7b5c0c695acb54228dcb81b26c [0,2,0,0,0,0|1,0,1]=4 2152 B9R0.46 CC/C=C/COC(C)C=O ca92496dc1fa4f410a644b0413bf3a1c [0,2,0,0,0,0|0,0,2]=4 2153 B9R0.46 CC/C=C/COC(C)CC bb53281b9974a90f85650cbbacb4a7df [0,2,0,0,0,0|1,0,0]=3 2154 B9R0.46 CC/C=C/COC(C)CF 1fdd34cdbd42d07f8ab1d40368f485b8 [0,2,0,0,0,0|1,0,0]=3 2155 B9R0.46 CC/C=C/COC(C)CS 801637855ef7fdd16617e54b117d9000 [0,2,0,0,0,0|0,1,0]=3 2156 B9R0.46 CC/C=C/CO[C@@H](C)CC e5d8c30d9c656c3e93e8de7b95835dd5 [0,2,0,0,0,0|1,0,0]=3 2157 B9R0.46 CC/C=C/CO[C@H](C)C=O c90962d297d8808721cbe6d6318b301e [0,2,0,0,0,0|0,0,2]=4 2158 B9R0.46 CC/C=C/CO[C@H](C)CC 121e3c512c899a11d31a58b4f890d9b7 [0,2,0,0,0,0|1,0,0]=3 2159 B9R0.46 CC/C=C/CO[C@H](C)CS 58281e57ed9d9f92f513b46624d716c0 [0,2,0,0,0,0|0,1,0]=3 2160 B9R0.46 CC/C=C\CCN(C)CC 258c6874fe45d3108b864247b32bcd51 [0,2,0,0,0,0|1,0,0]=3 2161 B9R0.46 CC/C=C\COC(C)C#N 7b53c9eecae5890ef14f218bc5c0321a [0,2,0,0,0,0|1,0,1]=4 2162 B9R0.46 CC/C=C\COC(C)C=O 02507ce520787a4f980b1d299ada3fc3 [0,2,0,0,0,0|0,0,2]=4 2163 B9R0.46 CC/C=C\COC(C)CC b6ae26b919cfe256a079292116543e0c [0,2,0,0,0,0|1,0,0]=3 2164 B9R0.46 CC/C=C\CO[C@H](C)C=O 131ae77ee2af216b761390f314f76593 [0,2,0,0,0,0|0,0,2]=4 2165 B9R0.46 CC=CCNCC(C)CO a528773b0434692e135e33a158201e66 [0,2,0,0,0,0|0,0,2]=4 2166 B9R0.46 CC=CCNCC(O)CO dcb00b2ef9edfd2a02802d3692d7805c [0,2,0,0,0,0|0,0,2]=4 2167 B9R0.46 CC=CCNC[C@@H](C)CO 1cb15db5a5aeb53fc68bfd4e37a83a94 [0,2,0,0,0,0|0,0,2]=4 2168 B9R0.46 CC=CCNC[C@@H](O)CO 06d169be257a08b408fc3238d790203b [0,2,0,0,0,0|0,0,2]=4 2169 B9R0.46 CC=CCNC[C@H](C)CO a80e39eff987ec6498e45e120e91f577 [0,2,0,0,0,0|0,0,2]=4 2170 B9R0.46 CC=CCNC[C@H](O)CO fbc34eb4cd693b4d6146c9a61a99f292 [0,2,0,0,0,0|0,0,2]=4 2171 B9R0.46 CC=CCOCC(O)CO db330cca98c3c5b470effc611d0c1484 [0,2,0,0,0,0|0,0,2]=4 2172 B9R0.46 CC=CCOC[C@@H](O)CO 6bb22a1f06c1cdb1f32261d1f0021f60 [0,2,0,0,0,0|0,0,2]=4 2173 B9R0.46 CC=CCOC[C@H](O)CO 8cedb23b9102297e9c10113030bf0b05 [0,2,0,0,0,0|0,0,2]=4 2174 B9R0.46 CCC#CCNC(C)CO a013c272ace4447485898b0e7794bdff [0,2,0,0,0,0|0,0,2]=4 2175 B9R0.46 CCC#CCN[C@@H](C)CO 49983e09df0a48c02f170063230c25ad [0,2,0,0,0,0|0,0,2]=4 2176 B9R0.46 CCC#CCN[C@H](C)CO 881ac4fd04de7675a7682d0f254a7e5a [0,2,0,0,0,0|0,0,2]=4 2177 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [0,2,0,0,0,0|1,0,1]=4 2178 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [0,2,0,0,0,0|0,0,1]=3 2179 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [0,2,0,0,0,0|1,0,1]=4 2180 B9R0.46 CCC(=O)CNCCON ba0c5b3af43a79a1a68f6f4b8ebf8d97 [0,2,0,0,0,0|1,0,1]=4 2181 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [0,2,0,0,0,0|1,0,1]=4 2182 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [0,2,0,0,0,0|0,1,1]=4 2183 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [0,2,0,0,0,0|1,0,1]=4 2184 B9R0.46 CCC(=O)NCC#CCO af2c88b5ffee9e231a520ce8b714182a [0,2,0,0,0,0|1,0,1]=4 2185 B9R0.46 CCC(=O)NCCCC#N 607a632e52c02be1f98f884f13544007 [0,2,0,0,0,0|2,0,0]=4 2186 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [0,2,0,0,0,0|0,0,1]=3 2188 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [0,2,0,0,0,0|0,1,1]=4 2189 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [0,2,0,0,0,0|1,0,0]=3 2190 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [0,2,0,0,0,0|1,1,0]=4 2191 B9R0.46 CCC(=O)NCCNCF 899c4179871cebc8419098e2257bf109 [0,2,0,0,0,0|2,0,0]=4 2192 B9R0.46 CCC(=O)NCCNCO 03dc81aae02f0d729bdddc35124dee9e [0,2,0,0,0,0|1,0,0]=3 2193 B9R0.46 CCC(=O)NCCOCF 23e78801b622f7fad277c2f392a8cb8f [0,2,0,0,0,0|2,0,0]=4 2194 B9R0.46 CCC(=O)OCCOCF dac9515ba882d559f224c99beb993b2d [0,2,0,0,0,0|2,0,0]=4 2195 B9R0.46 CCC(=O)OCNCCBr 04a60479c3fae8cce77a2420fc0b6713 [0,2,0,0,0,0|2,0,0]=4 2196 B9R0.46 CCC(=O)OCNCCF b95baeda4ff1a3ff8a2c7d4e7c40b748 [0,2,0,0,0,0|2,0,0]=4 2197 B9R0.46 CCC(=O)OCNCCI 14e9c8e2dc7a21d4a9573bdcfc5044a0 [0,2,0,0,0,0|2,0,0]=4 2198 B9R0.46 CCC(=O)OCNCCO 1f06de0805ea6ede1ea50046dc693666 [0,2,0,0,0,0|1,0,0]=3 2199 B9R0.46 CCC(=O)OCNCCS f97d7fd5dee28bbec1f5640f6f55d6db [0,2,0,0,0,0|1,1,0]=4 2200 B9R0.46 CCC(=O)OCOCCF e5fb342926bb871d1cb290b830b4ffb8 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.46 CCC(=O)OCOCCS 6f4d5e6c17478e3865487606bb3e4321 [0,2,0,0,0,0|1,1,0]=4 2202 B9R0.46 CCC(=O)OCOCOC b6e9338ebc927d2f6211f21a32802dfc [0,2,0,0,0,0|2,0,0]=4 2203 B9R0.46 CCC(C)CCNCCO a127043b6f5458f1c87d32ad0b8a32cb [0,2,0,0,0,0|0,0,2]=4 2204 B9R0.46 CCC(C)CNCCCO b7f672fe5bfa18562ef1c8fe33c0250f [0,2,0,0,0,0|0,0,2]=4 2205 B9R0.46 CCC(C)NCCCCO 6bd45ecd51d75108562e5caa61fe948c [0,2,0,0,0,0|0,0,2]=4 2206 B9R0.46 CCC(C)NCCCOC 171065770b4814346bd036dea3fd8b14 [0,2,0,0,0,0|1,0,1]=4 2207 B9R0.46 CCC(C)OCCCOC 920d543c516b5c83ae3650a9164e07ca [0,2,0,0,0,0|1,0,1]=4 2208 B9R0.46 CCC(O)CNCCCO 93bcd9fc899e572447921b7df9cd4341 [0,2,0,0,0,0|0,0,2]=4 2209 B9R0.46 CCC/C=C/CN(C)CC 1f18b8b4ce0c4ef627f3ac31034fee86 [0,2,0,0,0,0|2,0,0]=4 2210 B9R0.46 CCC/C=C\CN(C)CC 2ac64218dee9778809116af4fb550136 [0,2,0,0,0,0|2,0,0]=4 2211 B9R0.46 CCCCCCN(C)CO 8a5f907b8eb3248d8092765efbdfb7c6 [0,2,0,0,0,0|0,0,2]=4 2212 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [0,2,0,0,0,0|1,0,1]=4 2213 B9R0.46 CCCCCNC(C)CO 130d859b8c3ec8415f617cafd7916a21 [0,2,0,0,0,0|0,0,2]=4 2214 B9R0.46 CCCCCN[C@@H](C)CO 20ec0daf9e04887c5212a5e8c7959dfd [0,2,0,0,0,0|0,0,2]=4 2215 B9R0.46 CCCCCN[C@H](C)CO febfc95055d8ed2fb693276cce938384 [0,2,0,0,0,0|0,0,2]=4 2216 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,2,0,0,0,0|1,0,1]=4 2217 B9R0.46 CCCCNCC(C)CO 6da21364419b0c7c5b26455490267f1e [0,2,0,0,0,0|0,0,2]=4 2218 B9R0.46 CCCCNCC(F)CO ef01462d286e8a24585409774347d156 [0,2,0,0,0,0|0,0,2]=4 2219 B9R0.46 CCCCNCC(O)CO ac983613601cebc54cf5c91f0789f011 [0,2,0,0,0,0|0,0,2]=4 2220 B9R0.46 CCCCNC[C@@H](C)CO eb284f538845d26c0292210363d3a9ae [0,2,0,0,0,0|0,0,2]=4 2221 B9R0.46 CCCCNC[C@@H](F)CO 08389c84f685c72abadef416a081d169 [0,2,0,0,0,0|0,0,2]=4 2222 B9R0.46 CCCCNC[C@@H](O)CO c855f4138f8af3c3918926fa7f309a61 [0,2,0,0,0,0|0,0,2]=4 2223 B9R0.46 CCCCNC[C@H](C)CO a46d55579d54fa2f3df45167dc865bff [0,2,0,0,0,0|0,0,2]=4 2224 B9R0.46 CCCCNC[C@H](F)CO 8825965ce4d1c5b6f67f1eed1e05bf29 [0,2,0,0,0,0|0,0,2]=4 2225 B9R0.46 CCCCNC[C@H](O)CO 19bfe4bb7f3792b152156a3887152ef5 [0,2,0,0,0,0|0,0,2]=4 2226 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,2,0,0,0,0|1,0,1]=4 2227 B9R0.46 CCCCOCC(O)CO 1717e932150717b75d8ad0553e2508d5 [0,2,0,0,0,0|0,0,2]=4 2228 B9R0.46 CCCCOC[C@@H](O)CO 83f3d645ad47a54afee07c67e38801d8 [0,2,0,0,0,0|0,0,2]=4 2229 B9R0.46 CCCCOC[C@H](O)CO 5961558aa91f8ff37bdd6ab712320a6b [0,2,0,0,0,0|0,0,2]=4 2230 B9R0.46 CCCNCCC(C)CO 118cba905597f4a9d0e6d27edffe4f3f [0,2,0,0,0,0|0,0,2]=4 2231 B9R0.46 CCCNCCC(O)CO 7b15bb4f22a27a1184f0c23b9426da4d [0,2,0,0,0,0|0,0,2]=4 2232 B9R0.46 CCCNCC[C@@H](C)CO 9de671ae77164dcceeedf8d4084dec20 [0,2,0,0,0,0|0,0,2]=4 2233 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [0,2,0,0,0,0|1,0,1]=4 2235 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.46 CCN(C)CCCCCO cc23bd2adbd47cdaf3363f05e9df12a8 [0,2,0,0,0,0|0,0,2]=4 2237 B9R0.46 CCN(C)CCCCOC e50312ca007da4f102260e37986049e9 [0,2,0,0,0,0|1,0,1]=4 2238 B9R0.46 CCN(C)CCCCON 9773669ed75d6ed3a5e09f2a63804113 [0,2,0,0,0,0|1,0,1]=4 2239 B9R0.46 CCN(C)CCCNCO 5eab832dcb59affa4db3d0053f8ad395 [0,2,0,0,0,0|1,0,1]=4 2240 B9R0.46 CCN(C)CCOCCO fa0eb0823f5c543f387a6551e4542a79 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.46 CCNCCCC(C)CO c290f8dab7c2bada2b0324bd81530e9f [0,2,0,0,0,0|0,0,2]=4 2242 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [0,2,0,0,0,0|2,0,0]=4 2243 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.46 CCOCCNC(C)CO cd1a8b9db235033af70f5444c219e8ae [0,2,0,0,0,0|1,0,1]=4 2245 B9R0.46 CCOCCN[C@@H](C)CO f5198aac935624082c15432e1dd9472c [0,2,0,0,0,0|1,0,1]=4 2246 B9R0.46 CCOCCN[C@H](C)CO 7e213764f7eb380ddaa61285a7a745b9 [0,2,0,0,0,0|1,0,1]=4 2247 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [0,2,0,0,0,0|2,0,0]=4 2248 B9R0.46 CCOCNCC(C)CO b9f35e9f34eb39c533ab92cb7549f1b1 [0,2,0,0,0,0|1,0,1]=4 2249 B9R0.46 CCOCNCC(F)CO 002cee6d7e422b5ebdfeb32ebe423050 [0,2,0,0,0,0|1,0,1]=4 2250 B9R0.46 CCOCNCC(O)CO 27c8b92a9b739c4e73b3c6753a1d537e [0,2,0,0,0,0|1,0,1]=4 2251 B9R0.46 CCOCNC[C@@H](F)CO 08498d0e4db722bbdfb90bae4564da0b [0,2,0,0,0,0|1,0,1]=4 2252 B9R0.46 CCOCNC[C@@H](O)CO d0efb350b4a72c3ffee707458a6dd23c [0,2,0,0,0,0|1,0,1]=4 2253 B9R0.46 CCOCNC[C@H](C)CO e4b964a0e26dd0a3d905b106d1effa51 [0,2,0,0,0,0|1,0,1]=4 2254 B9R0.46 CCOCNC[C@H](F)CO 8cf7a25be31fef5e30ec855cd16dfb3d [0,2,0,0,0,0|1,0,1]=4 2255 B9R0.46 CCOCNC[C@H](O)CO 4a27cc053ca567b536b4085ad33b04f0 [0,2,0,0,0,0|1,0,1]=4 2256 B9R0.46 CCS(=O)CCNCCO 80f9000fb14e6d13c5c9e53876d91e4e [0,2,0,0,0,0|1,0,1]=4 2257 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [0,2,0,0,0,0|2,0,0]=4 2258 B9R0.46 CCSCCNC(C)CO ce7e53b52eb73d2001141215c5336e18 [0,2,0,0,0,0|1,0,1]=4 2259 B9R0.46 CCSCCN[C@@H](C)CO 13984c1cb3eb24b9c3d576fe5525e515 [0,2,0,0,0,0|1,0,1]=4 2260 B9R0.46 CCSCCN[C@H](C)CO d2b501f60162eca744f933aed2021f17 [0,2,0,0,0,0|1,0,1]=4 2261 B9R0.46 CC[C@@H](C)CNCCCO 4c3ce44a0c3881eab07a109768c53076 [0,2,0,0,0,0|0,0,2]=4 2262 B9R0.46 CC[C@@H](C)NCCCCO 75ad8c2daeead95458d1a1e8dccddd24 [0,2,0,0,0,0|0,0,2]=4 2263 B9R0.46 CC[C@@H](C)NCCCOC 822a7e313a224b9512648cc9b95bd904 [0,2,0,0,0,0|1,0,1]=4 2264 B9R0.46 CC[C@@H](C)OCCCOC 2f9d57f9d6435302ae73a62c0138fd2b [0,2,0,0,0,0|1,0,1]=4 2265 B9R0.46 CC[C@@H](O)CNCCCO 08b86832c312e48f7b7fa53b09edf713 [0,2,0,0,0,0|0,0,2]=4 2266 B9R0.46 CC[C@H](C)CNCCCO bbc2f0a02e4faf0f630ff6066f9a60d3 [0,2,0,0,0,0|0,0,2]=4 2267 B9R0.46 CC[C@H](C)NCCCCO d56b8ae9eee11ef68d54b6dc3022e7f4 [0,2,0,0,0,0|0,0,2]=4 2268 B9R0.46 CC[C@H](C)NCCCOC b788f269c40d267ec5df84ae70dc09dc [0,2,0,0,0,0|1,0,1]=4 2269 B9R0.46 CC[C@H](C)OCCCOC 3a7736b0727880225605e3c3f5f132a5 [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.46 CNC(=O)CCNCCO 98df73f33e1b075bda1acbb74fe1c8df [0,2,0,0,0,0|1,0,1]=4 2271 B9R0.46 CNC(=O)CNCCCO 04620384c25840fda6cec1980d6e4534 [0,2,0,0,0,0|1,0,1]=4 2272 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [0,2,0,0,0,0|1,0,1]=4 2274 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [0,2,0,0,0,0|1,0,1]=4 2275 B9R0.46 COC(=O)OCNCCO b043b1f4c8b6ead733606d48fba1c12c [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.46 COC(C)CNCCCO bdcf28a44f2d7cb333771708747f4c78 [0,2,0,0,0,0|1,0,1]=4 2277 B9R0.46 COCCCNC(=O)CF 718d789d9c9b3de8ce7aaf799b138a49 [0,2,0,0,0,0|2,0,0]=4 2278 B9R0.46 COCCCNC(=O)CO 4b8e790e604cafa347f0e3785cd6641b [0,2,0,0,0,0|2,0,0]=4 2279 B9R0.46 COCCCNC(=O)CS 6542d3222e7a298778a1592dc2515b2a [0,2,0,0,0,0|2,0,0]=4 2280 B9R0.46 COCCNCC(C)CO 1c9906ffad77905fb2e1cb3f627f8dc6 [0,2,0,0,0,0|1,0,1]=4 2281 B9R0.46 COCCNCC(F)CO 39f4dcb219db7497957a650c4a04c205 [0,2,0,0,0,0|1,0,1]=4 2282 B9R0.46 COCCNCC(O)CO c755412dc8007c98a3ba76b9ee1c3b97 [0,2,0,0,0,0|1,0,1]=4 2283 B9R0.46 COCCNC[C@@H](C)CO 7421d8e68fe6423fe23e14551f1eebba [0,2,0,0,0,0|1,0,1]=4 2284 B9R0.46 COCCNC[C@@H](F)CO 2fef7e2ae97238e05878a167a9df25ab [0,2,0,0,0,0|1,0,1]=4 2285 B9R0.46 COCCNC[C@@H](O)CO c3d982d46acebf22dd9c21977b029b88 [0,2,0,0,0,0|1,0,1]=4 2286 B9R0.46 COCCNC[C@H](C)CO 31010bc9e56dd5bdff9b88d523673719 [0,2,0,0,0,0|1,0,1]=4 2287 B9R0.46 COCCNC[C@H](F)CO 356c9b26499ea9456a619b5650e9b358 [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.46 COCCNC[C@H](O)CO cc89f689671d15e46f96ec5d7edaaf63 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.46 COCCOCC(O)CO d04f3fbcfb2b23f1462544a61d684626 [0,2,0,0,0,0|1,0,1]=4 2290 B9R0.46 COCCOC[C@@H](O)CO db856f25e157c78d794a3a239a143fd6 [0,2,0,0,0,0|1,0,1]=4 2291 B9R0.46 COCCOC[C@H](O)CO 80ac70db22d31e9af9fe7a8cec5a1d67 [0,2,0,0,0,0|1,0,1]=4 2292 B9R0.46 COCNCCC(C)CO d88f24b62b7ecd8182f9fbda4a83515b [0,2,0,0,0,0|1,0,1]=4 2293 B9R0.46 COCNCCC(O)CO fb7b9cd6c23a73b68c8ba1204f67f804 [0,2,0,0,0,0|1,0,1]=4 2294 B9R0.46 COCNCC[C@@H](C)CO 10cdd5b6eaf8d92814e99375823b9580 [0,2,0,0,0,0|1,0,1]=4 2295 B9R0.46 CO[C@@H](C)CNCCCO 1976568e1adf1496ab3e2ad75dac3c15 [0,2,0,0,0,0|1,0,1]=4 2296 B9R0.46 CO[C@H](C)CNCCCO 36dd9487d524339155e42b1e462c2d23 [0,2,0,0,0,0|1,0,1]=4 2297 B9R0.46 CSCCNCC(C)CO d5c5a7d1e5720bfcf26d03a9798e085e [0,2,0,0,0,0|1,0,1]=4 2298 B9R0.46 CSCCNCC(F)CO 2e218fcdea573b8cab52307254adb422 [0,2,0,0,0,0|1,0,1]=4 2299 B9R0.46 CSCCNCC(O)CO 94e23d524b095070831f1debf4b9828e [0,2,0,0,0,0|1,0,1]=4 2300 B9R0.46 CSCCNC[C@@H](C)CO a0983802213bf5a9aa526535dbae62a4 [0,2,0,0,0,0|1,0,1]=4 2301 B9R0.46 CSCCNC[C@@H](F)CO 53d2c5e001391e558973b2cbc03d656c [0,2,0,0,0,0|1,0,1]=4 2302 B9R0.46 CSCCNC[C@@H](O)CO 126abc7253407343d6ddca8f0d400cf1 [0,2,0,0,0,0|1,0,1]=4 2303 B9R0.46 CSCCNC[C@H](C)CO 392c262ee5137f21cd8b7a6d2950a531 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.46 CSCCNC[C@H](F)CO f7f7456240858e8a600299a34da190bc [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.46 CSCCNC[C@H](O)CO 1543df60168a677256863fc1192179ea [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.46 CSCCOCC(O)CO f56ccfbe6413d41c8c42d0aeffe80426 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.46 CSCCOC[C@@H](O)CO 9df2c11b20a79f2230ddc2ae9d516243 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.46 CSCCOC[C@H](O)CO 5906c86c8a799750f715d47a627fa8f9 [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.46 CSCNCCC(C)CO d2aae1bd6191dac57437f81b7e660846 [0,2,0,0,0,0|1,0,1]=4 2310 B9R0.46 CSCNCCC(O)CO 1c366acdcf93655567cca8d2fa40cf82 [0,2,0,0,0,0|1,0,1]=4 2311 B9R0.46 CSCNCC[C@@H](C)CO 2a1b6288342e39b412466309c3e5b265 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.46 C[C@@H](CO)CCNCCF 28b25064a9a418a27848a92c8e0c1810 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.46 C[C@@H](CO)CCNCCO b2d9277a49669a118c38a25874b49f73 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.46 C[C@@H](CO)CCNCCS a0895a8c4f047678d4d6e8eba3a802bb [0,2,0,0,0,0|1,0,1]=4 2315 B9R0.46 C[C@@H](CO)CNCCCCl a3c970ccca697a7bfe63a8a992714957 [0,2,0,0,0,0|1,0,1]=4 2316 B9R0.46 C[C@@H](CO)CNCCCO a68f98f5803fecf2b612cec3b2749b80 [0,2,0,0,0,0|1,0,1]=4 2317 B9R0.46 C[C@@H](CO)NCC=CC#N 1df8a4118717b4429010d7cf6bd9422c [0,2,0,0,0,0|1,0,1]=4 2318 B9R0.46 C[C@@H](CO)NCCCCO 33c96a11b7be88ac01be26b61f2a5038 [0,2,0,0,0,0|1,0,1]=4 2319 B9R0.46 C[C@H](C=O)NCCCCO eb09c7f19ebf18215ec378c737164712 [0,2,0,0,0,0|1,0,1]=4 2320 B9R0.46 C[C@H](CO)CNCCCCl c9e86ae918c5b2652f763666ba0e165b [0,2,0,0,0,0|1,0,1]=4 2321 B9R0.46 C[C@H](CO)CNCCCF 2cbba16748ac3230547756cde2eb9a16 [0,2,0,0,0,0|1,0,1]=4 2322 B9R0.46 C[C@H](CO)CNCCCO 56086e98b294fc135e9a351e2c5854c8 [0,2,0,0,0,0|1,0,1]=4 2323 B9R0.46 C[C@H](CO)CNCCCS 4c9e57d1c93d8f9b0a0b3e8d78097558 [0,2,0,0,0,0|1,0,1]=4 2324 B9R0.46 C[C@H](CO)NCC=CC#N 7a6ba918a6cdcaff14fe188e1ffb6e43 [0,2,0,0,0,0|1,0,1]=4 2325 B9R0.46 C[C@H](CO)NCCCCO 57aa1aa60d22e63a299f59472c62196e [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.46 O=C(CF)NCCCCO 55742d922757adee17ba8d48239de065 [0,2,0,0,0,0|1,0,1]=4 2327 B9R0.46 O=C(CO)CNCCCO 3c1be4b73536b5d9eb97bb93f1f5b814 [0,2,0,0,0,0|1,0,1]=4 2328 B9R0.46 O=C(CO)NCCCCO 063fc2727d5485e0a8fd8539cfb094c8 [0,2,0,0,0,0|1,0,1]=4 2329 B9R0.46 O=C(CS)NCCCCO 4fcea8da1f2ecdfd0c739dabea0c409c [0,2,0,0,0,0|1,0,1]=4 2330 B9R0.46 OCC(F)CNCCCF 6e033c890ec117a6cd5d3a36281cde7e [0,2,0,0,0,0|1,0,1]=4 2331 B9R0.46 OCC(F)CNCCCS 0b79b10e719dfde6ae771b2f9f574455 [0,2,0,0,0,0|1,0,1]=4 2332 B9R0.46 OCC(O)CCNCCF 8fa8e79834b535985ffeb30e7d18888f [0,2,0,0,0,0|1,0,1]=4 2333 B9R0.46 OCC(O)CCNCCS bf728db215cc2c11b1c3f72f6a2d547f [0,2,0,0,0,0|1,0,1]=4 2334 B9R0.46 OCC(O)CNCCCCl 77c5656aee6fec75adf72fa43ba9e861 [0,2,0,0,0,0|1,0,1]=4 2335 B9R0.46 OCC(O)CNCCCF 36ab8d6319eb5716d571ab9be3790fa9 [0,2,0,0,0,0|1,0,1]=4 2336 B9R0.46 OCC(O)CNCCCS 19c592e70dcbfa92afb84181d7e68cab [0,2,0,0,0,0|1,0,1]=4 2337 B9R0.46 OCC(O)COCCCF e7041c91598c4206cf27f00ca0997133 [0,2,0,0,0,0|1,0,1]=4 2338 B9R0.46 OCC(O)COCCCS f1176bb495d42cf6684997708d149ee5 [0,2,0,0,0,0|1,0,1]=4 2339 B9R0.46 OCCCNCC(Br)CBr b16364a3085063f0c35a0df10a16170c [0,2,0,0,0,0|1,0,1]=4 2340 B9R0.46 OCCCNCC(F)CO 742825cf9e74af8b43f1157d79ca61da [0,2,0,0,0,0|1,0,1]=4 2341 B9R0.46 OCCCNCC(O)CF a493da2bb12ba6c18eddfff9f136eea0 [0,2,0,0,0,0|1,0,1]=4 2342 B9R0.46 OCCCNCC(O)CO e3e37dd0719f535ee680fe351f72ee3d [0,2,0,0,0,0|1,0,1]=4 2343 B9R0.46 OCCCNC[C@@H](F)CO ab86a06e41239a4ff97373044a613782 [0,2,0,0,0,0|1,0,1]=4 2344 B9R0.46 OCCCNC[C@@H](O)CO a0e4a506ad2dbb03ae3a4a725ae359fc [0,2,0,0,0,0|1,0,1]=4 2345 B9R0.46 OCCCNC[C@H](F)CO a31fb37f5c2c00189f398007d1c14b0a [0,2,0,0,0,0|1,0,1]=4 2346 B9R0.46 OCCCNC[C@H](O)CO 4e9a75ba10b4c23756a22cf9437b571c [0,2,0,0,0,0|1,0,1]=4 2347 B9R0.46 OCCNCCC(O)CO b61589340bc352aac57b258c0ddb07ad [0,2,0,0,0,0|1,0,1]=4 2348 B9R0.46 OC[C@@H](F)CNCCCF d29a86dfcfc1f54ac9a145877520dbcf [0,2,0,0,0,0|1,0,1]=4 2349 B9R0.46 OC[C@@H](F)CNCCCS d1b23c8548e00c879fe657602b14d74e [0,2,0,0,0,0|1,0,1]=4 2350 B9R0.46 OC[C@@H](O)CNCCCCl f592d17a71450eb526495cd3c0b163f6 [0,2,0,0,0,0|1,0,1]=4 2351 B9R0.46 OC[C@@H](O)CNCCCF 5a212c3377b2dfa831f79cc66e9f21f3 [0,2,0,0,0,0|1,0,1]=4 2352 B9R0.46 OC[C@@H](O)CNCCCS 11ef27a788595c1d50553f1ad09770e3 [0,2,0,0,0,0|1,0,1]=4 2353 B9R0.46 OC[C@@H](O)COCCCF 5f4c61ca1a2e178a8e9f460221c18cba [0,2,0,0,0,0|1,0,1]=4 2354 B9R0.46 OC[C@@H](O)COCCCS 0207642497fa81ecece3ca17b8cf9b27 [0,2,0,0,0,0|1,0,1]=4 2355 B9R0.46 OC[C@H](F)CNCCCF 749dfdd0b4889462347853e9faddcd22 [0,2,0,0,0,0|1,0,1]=4 2356 B9R0.46 OC[C@H](F)CNCCCS ca65a80b32bd3de6ad0f9f0bf181c6fe [0,2,0,0,0,0|1,0,1]=4 2357 B9R0.46 OC[C@H](O)CNCCCCl 7aaa1c59055fdc8664d52aa9020dd8d3 [0,2,0,0,0,0|1,0,1]=4 2358 B9R0.46 OC[C@H](O)CNCCCF 3131d8842f4be3b23cc0983d380f8aa7 [0,2,0,0,0,0|1,0,1]=4 2359 B9R0.46 OC[C@H](O)CNCCCS 2b8e64607fca57091fb83d474fd58ded [0,2,0,0,0,0|1,0,1]=4 2360 B9R0.46 OC[C@H](O)COCCCF aad9395763c971642ad7c013d3557ba5 [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.46 OC[C@H](O)COCCCS 0b694b9fbacfb23c5e3f3b007ea5d0da [0,2,0,0,0,0|1,0,1]=4 2362 B9R0.1 C=C(CC)CNCC(C)O 9ad70cef66f7cc9126e041697212d2f8 [0,2,0,0,0,0|1,0,1]=4 2363 B9R0.1 C=C(CC)CNC[C@@H](C)O f6b87dc1b913103a2e2c15cfea378c9c [0,2,0,0,0,0|1,0,1]=4 2364 B9R0.1 C=C(CC)CNC[C@H](C)O 375c2730045f4149617bf401beaea96b [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.1 CC(C)CNCC(C)CO 2a64f45bbf7f87898c449dde5e36c0b6 [0,2,0,0,0,0|1,0,1]=4 2366 B9R0.1 CC(C)CNCC(F)CO 0979b1d14e9cbfc4cc7d38e0a73905ca [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.1 CC(C)CNCC(O)CO 70090963fc294f550f87723651f6534a [0,2,0,0,0,0|1,0,1]=4 2368 B9R0.1 CC(C)CNC[C@@H](C)CO 95362823e51b3806e49376eaf3a8805e [0,2,0,0,0,0|1,0,1]=4 2369 B9R0.1 CC(C)CNC[C@@H](F)CO 98d315fb9ffb69c107d70827115cce1d [0,2,0,0,0,0|1,0,1]=4 2370 B9R0.1 CC(C)CNC[C@@H](O)CO ff288feaf39d9e7defe59f5031593382 [0,2,0,0,0,0|1,0,1]=4 2371 B9R0.1 CC(C)CNC[C@H](C)CO 940c9a5067c16f348aef905a718c2be7 [0,2,0,0,0,0|1,0,1]=4 2372 B9R0.1 CC(C)CNC[C@H](F)CO 84205de913b42a2286a91c04e886a84b [0,2,0,0,0,0|1,0,1]=4 2373 B9R0.1 CC(C)CNC[C@H](O)CO ddf90ce95f81ac4c65caea793fcf3d10 [0,2,0,0,0,0|1,0,1]=4 2374 B9R0.1 CC(C)COCC(O)CO eb8712e8913a9c688b35e925b2e5bbea [0,2,0,0,0,0|1,0,1]=4 2375 B9R0.1 CC(C)COC[C@@H](O)CO 4c6015ee7239cce21edd58afd8afe947 [0,2,0,0,0,0|1,0,1]=4 2376 B9R0.1 CC(C)COC[C@H](O)CO f0e46b188479763ee2ac8fd0426fbb01 [0,2,0,0,0,0|1,0,1]=4 2377 B9R0.1 CC(C)NCCC(O)CO 49b1f2eeb94ad6141f31352b87c6f1d7 [0,2,0,0,0,0|1,0,1]=4 2378 B9R0.1 CC(C)NCC[C@@H](C)CO 0d44e2b3750a028fb6b8e0fd94d62e34 [0,2,0,0,0,0|1,0,1]=4 2379 B9R0.1 CC(CO)CCNC(C)C 0398f6be4ce4d2b850f69ba682c08eca [0,2,0,0,0,0|1,0,1]=4 2380 B9R0.1 CC(CO)CNC[C@@H](C)O af2505fa57b75db9d3136b3baafbdb52 [0,2,0,0,0,0|1,0,1]=4 2381 B9R0.1 CC(CO)CNC[C@H](C)O 47e81ecb2a52d6ac0870c65e6c741612 [0,2,0,0,0,0|1,0,1]=4 2382 B9R0.1 CC(F)COCC(O)CO 35d83f0f2fb6dfeddb7f2d4da5fcf4b9 [0,2,0,0,0,0|1,0,1]=4 2383 B9R0.1 CC(F)COC[C@@H](O)CO b41e5feedf67d4f18974abb86160a1f7 [0,2,0,0,0,0|1,0,1]=4 2384 B9R0.1 CC(F)COC[C@H](O)CO cdfd95832fdac7407b30ee8c8730aa34 [0,2,0,0,0,0|1,0,1]=4 2385 B9R0.1 CC(O)CCNC(=O)CF 7c4df54bb4c03e0cfed039993eb83c4a [0,2,0,0,0,0|2,0,0]=4 2386 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,2,0,0,0,0|2,0,0]=4 2387 B9R0.1 CC(O)CCNC(=O)CS c0d269a5f96db7c36bd65f277c5f2e77 [0,2,0,0,0,0|2,0,0]=4 2388 B9R0.1 CC(O)CNCC(C)CO b578b3b6503ef5585dabddd81a94ef06 [0,2,0,0,0,0|1,0,1]=4 2389 B9R0.1 CC(O)CNCC(F)CO d4c0108ff22d26379d880aff98f4e772 [0,2,0,0,0,0|1,0,1]=4 2390 B9R0.1 CC(O)CNCC(O)CO 34956b2f4d1ab26c67115dc58a19b10c [0,2,0,0,0,0|1,0,1]=4 2391 B9R0.1 CC(O)CNC[C@@H](C)CO 52cd8533941f9881f8f8f65659d4cfbb [0,2,0,0,0,0|1,0,1]=4 2392 B9R0.1 CC(O)CNC[C@@H](F)CO c1bfaa6899f19648b684ab7dc8f54b3f [0,2,0,0,0,0|1,0,1]=4 2393 B9R0.1 CC(O)CNC[C@@H](O)CO e3183264c2c8eaeb2a8aa909d0925cf6 [0,2,0,0,0,0|1,0,1]=4 2394 B9R0.1 CC(O)CNC[C@H](C)CO b5b0c08f870e6e8468c38473c651f0b5 [0,2,0,0,0,0|1,0,1]=4 2395 B9R0.1 CC(O)CNC[C@H](F)CO d9e05bf7b5d58ef6218727295fc0b870 [0,2,0,0,0,0|1,0,1]=4 2396 B9R0.1 CC(O)CNC[C@H](O)CO 5adbc90f47c6983b35db892d684e6821 [0,2,0,0,0,0|1,0,1]=4 2397 B9R0.1 CC(S)COCC(O)CO 451f74235120de27169dcf91aacf8263 [0,2,0,0,0,0|1,0,1]=4 2398 B9R0.1 CC(S)COC[C@@H](O)CO b7f77fb7257029ead652459528eee928 [0,2,0,0,0,0|1,0,1]=4 2399 B9R0.1 CC(S)COC[C@H](O)CO b8acf7030764b8034eb399ca09665d2f [0,2,0,0,0,0|1,0,1]=4 2400 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,2,0,0,0,0|1,0,1]=4 2401 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,2,0,0,0,0|1,0,1]=4 2402 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,2,0,0,0,0|1,0,1]=4 2403 B9R0.1 CCC(=O)NCCC(C)C 15f0ff154b73608d9b867dc114dba5c0 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,2,0,0,0,0|1,0,0]=3 2405 B9R0.1 CCC(=O)NCCC(F)F a661ae0ff1bde5e4e25bfaa09812b815 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.1 CCC(=O)NCCS(=O)O 47bf6ac1d2cd1854145b39436f351711 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,2,0,0,0,0|1,0,0]=3 2408 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,2,0,0,0,0|1,0,0]=3 2409 B9R0.1 CCC(C)NCCC(C)O dda59110f1c0fb7493f1aaff05307dd4 [0,2,0,0,0,0|1,0,1]=4 2410 B9R0.1 CCC(C)NCC[C@@H](C)O fb3a959625849719803d70bc59f6fd53 [0,2,0,0,0,0|1,0,1]=4 2411 B9R0.1 CCC(C)NCC[C@H](C)O b64181209b00f8f962601d14c2173d61 [0,2,0,0,0,0|1,0,1]=4 2412 B9R0.1 CCN(C)C/C=C/C(C)C 35b6fad8b83d27c945fb3cad5df2b7cb [0,2,0,0,0,0|2,0,0]=4 2413 B9R0.1 CCN(C)CCCC(C)O d0c3297e37577cc9f646df2cbf76e9af [0,2,0,0,0,0|1,0,1]=4 2414 B9R0.1 CC[C@@H](C)NCCC(C)O b7f70e273fce08932540a42165eb9d86 [0,2,0,0,0,0|1,0,1]=4 2415 B9R0.1 CC[C@H](C)NCCC(C)O 2749dbaaf30a780792b4813830b0935f [0,2,0,0,0,0|1,0,1]=4 2416 B9R0.1 C[C@@H](CO)CNC[C@@H](C)O 94e5d000161cd57d789b79426a54d9a9 [0,2,0,0,0,0|1,0,1]=4 2417 B9R0.1 C[C@@H](CO)CNC[C@H](C)O 6f3e572c3cb1772de670e4af4bc384a7 [0,2,0,0,0,0|1,0,1]=4 2418 B9R0.1 C[C@@H](F)COCC(O)CO d4f4979332bd489127666ef5828968c0 [0,2,0,0,0,0|1,0,1]=4 2419 B9R0.1 C[C@@H](F)COC[C@@H](O)CO 219ac69a6c4d53cfa6aedd1e2fd4246c [0,2,0,0,0,0|1,0,1]=4 2420 B9R0.1 C[C@@H](F)COC[C@H](O)CO 89acd7b94325fbb089dc50ff1830cafc [0,2,0,0,0,0|1,0,1]=4 2421 B9R0.1 C[C@@H](O)CCNC(=O)CF 9cc194dd6bae57ed21d1c6a3807cb763 [0,2,0,0,0,0|2,0,0]=4 2422 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,2,0,0,0,0|2,0,0]=4 2423 B9R0.1 C[C@@H](O)CCNC(=O)CS 5041dae96f818c0eb7fcd213a28aa8a7 [0,2,0,0,0,0|2,0,0]=4 2424 B9R0.1 C[C@@H](O)CNCC(F)CO b55d1eee6f3cf57afbe2a779fdb5052d [0,2,0,0,0,0|1,0,1]=4 2425 B9R0.1 C[C@@H](O)CNCC(O)CO 9dbd5ff895e0b7f862ce3760046b2335 [0,2,0,0,0,0|1,0,1]=4 2426 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 93bb4c91e97942cc0a364b6b0519567c [0,2,0,0,0,0|1,0,1]=4 2427 B9R0.1 C[C@@H](O)CNC[C@@H](O)CO 1585ae6aeb22fa35838ddbe179790ff6 [0,2,0,0,0,0|1,0,1]=4 2428 B9R0.1 C[C@@H](O)CNC[C@H](F)CO f20d58c92ef9b1035f4f31f6f22e7053 [0,2,0,0,0,0|1,0,1]=4 2429 B9R0.1 C[C@@H](O)CNC[C@H](O)CO d2bbdcda3cc08b467addcf0349bc2eab [0,2,0,0,0,0|1,0,1]=4 2430 B9R0.1 C[C@H](CO)CNC[C@@H](C)O 48769ee9bafd9ea5d8b17fbfef36f7c1 [0,2,0,0,0,0|1,0,1]=4 2431 B9R0.1 C[C@H](CO)CNC[C@H](C)O 577c96bea6c0a93ea8722079a031d745 [0,2,0,0,0,0|1,0,1]=4 2432 B9R0.1 C[C@H](F)COCC(O)CO 0c29feb7c5cfde2c39a5355a91abf91e [0,2,0,0,0,0|1,0,1]=4 2433 B9R0.1 C[C@H](F)COC[C@@H](O)CO 71ac3cd1390246a186d922eb0bb850b3 [0,2,0,0,0,0|1,0,1]=4 2434 B9R0.1 C[C@H](F)COC[C@H](O)CO 588d542ef18f443aa058d610b800fb98 [0,2,0,0,0,0|1,0,1]=4 2435 B9R0.1 C[C@H](O)CCNC(=O)CF dccbd1b5eb2b603c877a00069e3b10a6 [0,2,0,0,0,0|2,0,0]=4 2436 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.1 C[C@H](O)CCNC(=O)CS c3c8ad3bd970fc3ad723d2f4eede6a9b [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.1 C[C@H](O)CNCC(F)CO 7a9c474859484abd0fb6ac1d81cc650a [0,2,0,0,0,0|1,0,1]=4 2439 B9R0.1 C[C@H](O)CNCC(O)CO e5228eaedfee1610844a5524bcec5ffc [0,2,0,0,0,0|1,0,1]=4 2440 B9R0.1 C[C@H](O)CNC[C@@H](F)CO 76075c940e95160105820c2280e5f94d [0,2,0,0,0,0|1,0,1]=4 2441 B9R0.1 C[C@H](O)CNC[C@@H](O)CO 5dc2b2b9cc1dbcf039b439491b193adf [0,2,0,0,0,0|1,0,1]=4 2442 B9R0.1 C[C@H](O)CNC[C@H](F)CO a4cd3bf5f6c5db2b1686962043aa1c25 [0,2,0,0,0,0|1,0,1]=4 2443 B9R0.1 C[C@H](O)CNC[C@H](O)CO 48e1347117a055c157a3784f0e8d40d6 [0,2,0,0,0,0|1,0,1]=4 2444 B9R0.20 CCC(C)(C)NCCCO 36a57edb08374ebd727fa13fdaf3b5b6 [0,2,0,0,0,0|1,0,1]=4 2445 B9R0.20 CCCNCC(C)(C)CO 44959d05a980d2e9a360e1f3d03bc2b2 [0,2,0,0,0,0|1,0,1]=4 2446 B9R0.20 CCCNCC(F)(F)CO 259d5b55f687c64da91cfd0ccad21000 [0,2,0,0,0,0|1,0,1]=4 2447 B9R0.20 CCNCCC(F)(F)CO d7d8d5c4f9c4c5588be434769cc0fcff [0,2,0,0,0,0|1,0,1]=4 2448 B9R0.24 C=C(CC)CNC(C)CO f040e911f9d5ab0583a9aed42be68ed0 [0,2,0,0,0,0|1,0,1]=4 2449 B9R0.24 C=C(CC)CN[C@@H](C)CO 665b25db5f8a8e08671dfa1b0879f5aa [0,2,0,0,0,0|1,0,1]=4 2450 B9R0.24 C=C(CC)CN[C@H](C)CO f3c523ade842fd9c8553b2d843d37f96 [0,2,0,0,0,0|1,0,1]=4 2451 B9R0.24 CC(CO)CNC(=O)CF dfa95f0e838d6050ac5f9dd06f8dcae3 [0,2,0,0,0,0|2,0,0]=4 2452 B9R0.24 CC(CO)CNC(=O)CO c433cb913c3f4a048671fb23e261810a [0,2,0,0,0,0|2,0,0]=4 2453 B9R0.24 CC(CO)CNC(=O)CS 9cad581698394879ce09e326a14b10e9 [0,2,0,0,0,0|2,0,0]=4 2454 B9R0.24 CCC(=O)CNC(C)CO 5e60ba7c010ccf2781cfa187e60d9931 [0,2,0,0,0,0|1,0,1]=4 2455 B9R0.24 CCC(=O)CN[C@@H](C)CO 74e011e2f77654864ab9844d772548df [0,2,0,0,0,0|1,0,1]=4 2456 B9R0.24 CCC(=O)CN[C@H](C)CO f786f4989a36138fb02fa088b8f656d9 [0,2,0,0,0,0|1,0,1]=4 2457 B9R0.24 CCC(=O)NCC(Br)CBr 01f2575e2b21b6681f7802d08c6817bf [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.24 CCC(=O)NCC(C)CC 7a5f4f534369b61d9e8fb6bbf4fc8b31 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.24 CCC(=O)NCC(C)CO fa40852dedb4d165bd8eab47072e49aa [0,2,0,0,0,0|1,0,0]=3 2460 B9R0.24 CCC(=O)NCC(F)CO da914e5d2d34db9e286a8be9de392042 [0,2,0,0,0,0|1,0,0]=3 2461 B9R0.24 CCC(=O)NCC(O)CC 0c6f585c4a613c01d94eec57c41006a2 [0,2,0,0,0,0|2,0,0]=4 2462 B9R0.24 CCC(=O)NCC(O)CO a9d4f4728b89c5e6414c2d930cfecd01 [0,2,0,0,0,0|1,0,0]=3 2463 B9R0.24 CCC(=O)NC[C@@H](C)CC 20f140a9a510d7ecd72cce257acfa2d6 [0,2,0,0,0,0|2,0,0]=4 2464 B9R0.24 CCC(=O)NC[C@@H](F)CO 34d2ade9786628e93d038c004af4fa10 [0,2,0,0,0,0|1,0,0]=3 2465 B9R0.24 CCC(=O)NC[C@@H](O)CO 00282dbf7533c20a1e96c426773318a2 [0,2,0,0,0,0|1,0,0]=3 2466 B9R0.24 CCC(=O)NC[C@H](C)CO 2514ca8a6ee761d51abaccbd3a6de585 [0,2,0,0,0,0|1,0,0]=3 2467 B9R0.24 CCC(=O)NC[C@H](F)CO 165da4e28535ba63ffe6dbdbb9b7c71e [0,2,0,0,0,0|1,0,0]=3 2468 B9R0.24 CCC(=O)NC[C@H](O)CC d28190137f6e71fee6c5823aba62fd52 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.24 CCC(=O)NC[C@H](O)CO 3a2fa83cc974a2501a0e0cdc5c896afd [0,2,0,0,0,0|1,0,0]=3 2470 B9R0.24 CCC(C)NCC(C)CO 959364fbfd5418be4097b0ea80084b81 [0,2,0,0,0,0|1,0,1]=4 2471 B9R0.24 CCC(C)NCC(F)CO 003eed4bd41306fdad925ee103b64adc [0,2,0,0,0,0|1,0,1]=4 2472 B9R0.24 CCC(C)NCC(O)CO 1def5b3c6f201504b5f100e78edef563 [0,2,0,0,0,0|1,0,1]=4 2473 B9R0.24 CCC(C)NC[C@@H](C)CO 2ac3e79e4c950b5cb105f3ad06257ea2 [0,2,0,0,0,0|1,0,1]=4 2474 B9R0.24 CCC(C)NC[C@@H](F)CO 56e9013d83cafc2e224200ab1c52a119 [0,2,0,0,0,0|1,0,1]=4 2475 B9R0.24 CCC(C)NC[C@@H](O)CO 86898e6003e103b2d3bdfdd737dba4fc [0,2,0,0,0,0|1,0,1]=4 2476 B9R0.24 CCC(C)NC[C@H](C)CO 528ff2953b93bdd29968224fd19499d9 [0,2,0,0,0,0|1,0,1]=4 2477 B9R0.24 CCC(C)NC[C@H](F)CO a949a5d6cfd314dd8d033b01bf7fe4d0 [0,2,0,0,0,0|1,0,1]=4 2478 B9R0.24 CCC(C)NC[C@H](O)CO a19d325e334ea089cb7c8e6edd38b607 [0,2,0,0,0,0|1,0,1]=4 2479 B9R0.24 CCC(C)OCC(O)CO 31c451bb8ae3e0525bd60fdae3c6e861 [0,2,0,0,0,0|1,0,1]=4 2480 B9R0.24 CCC(C)OC[C@@H](O)CO 85847e5e6dc8536622094eeced903a10 [0,2,0,0,0,0|1,0,1]=4 2481 B9R0.24 CCC(C)OC[C@H](O)CO e71e155c211f81233adcdadf9441ee67 [0,2,0,0,0,0|1,0,1]=4 2482 B9R0.24 CCN(C)CCC(C)CO 8329884aa5952aee907053307efead41 [0,2,0,0,0,0|1,0,1]=4 2483 B9R0.24 CC[C@@H](C)NCC(C)CO e16138e0c51549f136233e3c07ac8b96 [0,2,0,0,0,0|1,0,1]=4 2484 B9R0.24 CC[C@@H](C)NCC(O)CO 742a3eef539a4b8c0aa23b681e517ea3 [0,2,0,0,0,0|1,0,1]=4 2485 B9R0.24 CC[C@@H](C)NC[C@@H](C)CO 7cd711df88871b90c1043b89f70d1d47 [0,2,0,0,0,0|1,0,1]=4 2486 B9R0.24 CC[C@@H](C)NC[C@@H](O)CO 40997326e1aa5003269d6f53432d2446 [0,2,0,0,0,0|1,0,1]=4 2487 B9R0.24 CC[C@@H](C)NC[C@H](C)CO fe9a450ecc9843531dc18ebb51cf8369 [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.24 CC[C@@H](C)NC[C@H](O)CO 18482b3b717fed9c6181db7cc2f20a7f [0,2,0,0,0,0|1,0,1]=4 2489 B9R0.24 CC[C@@H](C)OCC(O)CO ba440ae4bc41314212717304c17c469e [0,2,0,0,0,0|1,0,1]=4 2490 B9R0.24 CC[C@@H](C)OC[C@@H](O)CO e3d18fffeae6598369a01293f5e0d290 [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.24 CC[C@@H](C)OC[C@H](O)CO 8247142430650723991e3322e67f2afc [0,2,0,0,0,0|1,0,1]=4 2492 B9R0.24 CC[C@H](C)NCC(C)CO 2d65a1bdf019a8136dad9b89ccf7884e [0,2,0,0,0,0|1,0,1]=4 2493 B9R0.24 CC[C@H](C)NCC(O)CO e618846998fa626421c29247d3463b21 [0,2,0,0,0,0|1,0,1]=4 2494 B9R0.24 CC[C@H](C)NC[C@@H](C)CO c0042912012cc3ae5e7e4dd3c8681db9 [0,2,0,0,0,0|1,0,1]=4 2495 B9R0.24 CC[C@H](C)NC[C@@H](O)CO 91c29dcacc0f79cc4ea7b62d2bb24524 [0,2,0,0,0,0|1,0,1]=4 2496 B9R0.24 CC[C@H](C)NC[C@H](C)CO 24d92355383c9a447977da59c57d60fc [0,2,0,0,0,0|1,0,1]=4 2497 B9R0.24 CC[C@H](C)NC[C@H](O)CO 108d488633c04314ffd7c2daf6c1e301 [0,2,0,0,0,0|1,0,1]=4 2498 B9R0.24 CC[C@H](C)OCC(O)CO d3f8c511ce80b5df149715a02efb2f74 [0,2,0,0,0,0|1,0,1]=4 2499 B9R0.24 CC[C@H](C)OC[C@@H](O)CO 3c2f068a7cebc41249fcd05efa7a4a5d [0,2,0,0,0,0|1,0,1]=4 2500 B9R0.24 CC[C@H](C)OC[C@H](O)CO 8f0b259092d901c38dc080500d5cf382 [0,2,0,0,0,0|1,0,1]=4 2501 B9R0.24 C[C@H](CO)CNC(=O)CF 3baa2e9c752d4b66ae409b5801b3170a [0,2,0,0,0,0|2,0,0]=4 2502 B9R0.24 C[C@H](CO)CNC(=O)CO a5fe05048ffdec3dc3e750a075dbac29 [0,2,0,0,0,0|2,0,0]=4 2503 B9R0.24 C[C@H](CO)CNC(=O)CS fb0b1510ecf30d05159447a3aa7ebcfe [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.24 O=C(CF)NCC(F)CO 7ce60ba79a915df3463298a1dd917e52 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.24 O=C(CF)NCC(O)CO 93ccddc75530697e181ce579fba37770 [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.24 O=C(CF)NC[C@@H](F)CO 75a27a56b2beba0034ab45c5b6576756 [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.24 O=C(CF)NC[C@@H](O)CO 2cb9257ace931a0a5835d026b87348b9 [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.24 O=C(CF)NC[C@H](F)CO 36665df2e28d838727fffc032609bb5d [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.24 O=C(CF)NC[C@H](O)CO ec46af1213ba8ecae10ee4f9b08ad9b4 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.24 O=C(CO)NCC(F)CO f5afcde18fbedef6152670175120d59b [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.24 O=C(CO)NCC(O)CO 59b8d1e3f5dbb6e0d8cc49e15f524bcd [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.24 O=C(CO)NC[C@@H](F)CO b9c1f0734722ad851767f4eb2e4059da [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.24 O=C(CO)NC[C@@H](O)CO 7aaab2ab4025c8fed32eec6928cf259f [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.24 O=C(CO)NC[C@H](F)CO 2af544e2c542cb586c92bda3d07e068d [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.24 O=C(CO)NC[C@H](O)CO 33ab51de405864fc5b6ae5961bb63355 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.24 O=C(CS)NCC(F)CO e22855867005c6b6af0d2770a6e66487 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.24 O=C(CS)NCC(O)CO d6ae5a2eead134801db417928744c7e8 [0,2,0,0,0,0|2,0,0]=4 2518 B9R0.24 O=C(CS)NC[C@@H](F)CO fec3ff0604535a98fe958333bb8dd441 [0,2,0,0,0,0|2,0,0]=4 2519 B9R0.24 O=C(CS)NC[C@@H](O)CO 12032cda85e9b9272a3def1faa2e6a01 [0,2,0,0,0,0|2,0,0]=4 2520 B9R0.24 O=C(CS)NC[C@H](F)CO 913f91ef2805d92198f0e124176611d2 [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.24 O=C(CS)NC[C@H](O)CO c52c0e2e59b48bd9285d833578c142b2 [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.47 C=C(C)C(=O)NCCCO 1c3be591a39956b4e97ebd0d5a168bc2 [0,2,0,0,0,0|1,0,1]=4 2523 B9R0.47 CC(=O)C(=O)NCCCO 07a7bb6909cab345c32ae2fba7f9de80 [0,2,0,0,0,0|1,0,1]=4 2524 B9R0.47 CC(C)C(=O)CNCCO 77f1ca01ccc1a4f71498efae73b56eab [0,2,0,0,0,0|1,0,1]=4 2525 B9R0.47 CC(C)C(C)NCCCO 9c318476afb43f1ccee4886cfbbd5d6a [0,2,0,0,0,0|1,0,1]=4 2526 B9R0.47 CC(C)N(C)CCCCO 72b85abd329a541ea2ae752b96d79f00 [0,2,0,0,0,0|1,0,1]=4 2527 B9R0.47 CC(C)[C@@H](C)NCCCO 3ea3a7ecd0c94521bbba483d56fc5328 [0,2,0,0,0,0|1,0,1]=4 2528 B9R0.47 CC(C)[C@H](C)NCCCO b8abd485d2ce5d94159717c8c2c4201a [0,2,0,0,0,0|1,0,1]=4 2529 B9R0.47 CC(F)C(=O)NCCCCl dd39fd4847d089b5b80da2f2fba54228 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.47 CC(F)C(=O)NCCCO 75a1b0b6f28692071e2d39b9a389a7d6 [0,2,0,0,0,0|1,0,0]=3 2531 B9R0.47 CC(O)C(=O)NCCCCl b92b54d3e462edcfbbc7adb7cf6d5056 [0,2,0,0,0,0|2,0,0]=4 2532 B9R0.47 CC(O)C(=O)NCCCO 3fdedfd33420787a61b77feff9284e51 [0,2,0,0,0,0|1,0,0]=3 2533 B9R0.47 CC(O)C(C)NCCCO cf03c63e56577ece61b49fa26702c8ff [0,2,0,0,0,0|1,0,1]=4 2534 B9R0.47 CC(S)C(=O)NCCCCl 05d734958061f98542b34bc840ad141a [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.47 CC(S)C(=O)NCCCO 9c9a756ca302f24d018e148f7ef8d2f1 [0,2,0,0,0,0|1,0,0]=3 2536 B9R0.47 CC/C=C/CN(C)C(C)C efb07cfcdd788d3746a21a8251119087 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.47 CCCCNC(=O)C(C)F fdb65ff91133c27b3ebb75d20a9f2f4e [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.47 CCCCNC(=O)C(C)O 869307c83e8c07004b30ff19276a13f2 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.47 CCCCNC(=O)C(C)S 407fba19f003dbd0035cfcbae9d2b461 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.47 CCCCNC(=O)[C@@H](C)F 802b8883268c6ffd6ce1498e2886bd12 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.47 CCCCNC(=O)[C@@H](C)O 7ecb649f950e3b6c5f53bd62fbec3619 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.47 CCCCNC(=O)[C@H](C)F be2c51c0de91c244b1db314ffeb2bb50 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.47 CCCCNC(=O)[C@H](C)O fd6bb0fb1788b038b750625ab18ad066 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.47 C[C@@H](F)C(=O)NCCCCl 0f687453876e341e0338927b09f98f43 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.47 C[C@@H](F)C(=O)NCCCO 62f9639804f2056febeaeb7be2119839 [0,2,0,0,0,0|1,0,0]=3 2546 B9R0.47 C[C@@H](O)C(=O)NCCCCl a6702461d3fd3fa4afee1459854a6f9e [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.47 C[C@@H](O)C(=O)NCCCO ee0f9b9b65d12aee93b8ff8a8f4ba165 [0,2,0,0,0,0|1,0,0]=3 2548 B9R0.47 C[C@H](F)C(=O)NCCCCl 12149940e4080c7cd54998354fd6efc9 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.47 C[C@H](F)C(=O)NCCCO 9dde54e7fd3c0a23864d20db6fce9f83 [0,2,0,0,0,0|1,0,0]=3 2550 B9R0.47 C[C@H](O)C(=O)NCCCCl caaf0f9b5063d2d2ad2615c9eade8535 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.47 C[C@H](O)C(=O)NCCCO 4f765bc105a804c3c1972b22e3f801a1 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.47 O=C(NCCCO)C(F)F c6ab3235fe8a1b20304b5528f9a6e4bc [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.47 O=C(NCCCO)C(O)O 016aa5e94a42e4b92c5351220b0f73e0 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.50 CCC(C=O)NCCCO 7114e8a20f5b57955f2b3c6ae3807508 [0,2,0,0,0,0|1,0,1]=4 2555 B9R0.50 CCC(CC)NCCCO 7a878469a24193b99d971a99763489b5 [0,2,0,0,0,0|1,0,1]=4 2556 B9R0.50 CCC(CO)NCCCO 019242eda7d629d45e9d58eb92023bf1 [0,2,0,0,0,0|1,0,1]=4 2557 B9R0.50 CCCNCC(CC)CO fdec3531e4ba05a71db83ab7a1d3677b [0,2,0,0,0,0|1,0,1]=4 2558 B9R0.50 CCCNCC(CO)CO 2859681fca69a9f3343943a50eabb631 [0,2,0,0,0,0|1,0,1]=4 2559 B9R0.50 CCCNC[C@H](CO)OC 1de0f851a51335c4faa83394a2f31d9b [0,2,0,0,0,0|1,0,1]=4 2560 B9R0.50 CCN(C=O)CCCCO 896c8ac6f073a59bbf85b1278bba30de [0,2,0,0,0,0|1,0,1]=4 2561 B9R0.50 CCN(CC)CCCCO 1019632568aea287f47829ce026c8846 [0,2,0,0,0,0|1,0,1]=4 2562 B9R0.50 CCN(CF)CCCCO b5b1b93da29d2323544e41e593997dae [0,2,0,0,0,0|1,0,1]=4 2563 B9R0.50 CCN(CO)CCCCO 86f4573bd445e6e306e9fed7cd3e0e8a [0,2,0,0,0,0|1,0,1]=4 2564 B9R0.50 CCNCCC(CO)CO 379ecdf3075d96e86bebc578e110e479 [0,2,0,0,0,0|1,0,1]=4 2565 B9R0.50 CC[C@@H](CO)NCCCO aa9c8664da5f851275cd3a65335aecc2 [0,2,0,0,0,0|1,0,1]=4 2566 B9R0.50 CC[C@H](CO)NCCCO 2e8a24e47b172b792354f1c15922a3e5 [0,2,0,0,0,0|1,0,1]=4 2567 B9R0.38 CC(C)(C)CNCCCO ebf98f289fcfc344d1c95e0fe4a1f178 [0,2,0,0,0,0|1,0,1]=4 2568 B9R0.38 CC(C)(C)NCCCCO 09cb4beb1f2376b818965df7bf3710ef [0,2,0,0,0,0|1,0,1]=4 2569 B9R0.38 CC(C)(F)CNCCCO e681de08b90533fc8b899297e7fdd5de [0,2,0,0,0,0|1,0,1]=4 2570 B9R0.38 CC(C)(O)CNCCCO 2f8639bd42a9328013ff5ca4fbed11f9 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.38 CC(F)(F)CNCCCO 5d64aef81d9114174054228af19b3b11 [0,2,0,0,0,0|1,0,1]=4 2572 B9R0.38 CC/C=C/CNC(C)(C)C 95a10faa47d615d5d7b9d365cdb36b4b [0,2,0,0,0,0|2,0,0]=4 2573 B9R0.38 CCCNCCC(C)(C)O bf4a91f204de8db06066cd5a44328705 [0,2,0,0,0,0|1,0,1]=4 2574 B9R0.38 CCCOCCC(C)(C)O ca832f1548b8f34b1a7f2f9a13a5c594 [0,2,0,0,0,0|1,0,1]=4 2575 B9R0.38 CCNCCCC(C)(C)O 15499cf28b521c8baad612d0cf53420f [0,2,0,0,0,0|1,0,1]=4 2576 B9R0.55 CC(C)/C=C/COC(C)C 26353d7a8cd5bcc43f9a1e82024481e5 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.55 CC(C)CNCCC(C)O 1e0db634f9173d1d3f2d70d101e78805 [0,2,0,0,0,0|1,0,1]=4 2578 B9R0.55 CC(C)CNCC[C@@H](C)O 2ea242edb154ea9e362eb4e00fd73b44 [0,2,0,0,0,0|1,0,1]=4 2579 B9R0.55 CC(C)CNCC[C@H](C)O 88ef43e42879c17115f9c87165f1c923 [0,2,0,0,0,0|1,0,1]=4 2580 B9R0.55 CC(O)CCNCC(C)O a6458a7a56d7bcd3d010a23c8fe256f3 [0,2,0,0,0,0|1,0,1]=4 2581 B9R0.55 CC(O)CCNC[C@@H](C)O 9125021e043750131eea7dd1e503531b [0,2,0,0,0,0|1,0,1]=4 2582 B9R0.55 CC(O)CCNC[C@H](C)O f23d02f84116b8da4626f25bb5aea274 [0,2,0,0,0,0|1,0,1]=4 2583 B9R0.55 CC(O)CNCC[C@@H](C)O 297ecc9ac74b85be5b4f2e9e6f73e68a [0,2,0,0,0,0|1,0,1]=4 2584 B9R0.55 CC(O)CNCC[C@H](C)O 708e8d885cce762243f909757305cfd4 [0,2,0,0,0,0|1,0,1]=4 2585 B9R0.55 C[C@@H](O)CCNC[C@@H](C)O 05433372829d767936120dc866c6fd9a [0,2,0,0,0,0|1,0,1]=4 2586 B9R0.55 C[C@H](O)CCNC[C@@H](C)O 2cd9cd5f675e3fd89e15c40caf6ecab5 [0,2,0,0,0,0|1,0,1]=4 2587 B9R0.55 C[C@H](O)CCNC[C@H](C)O ec14d3ded038ad4d41caddc7bd42b1ab [0,2,0,0,0,0|1,0,1]=4 2588 B9R0.55 C[C@H](O)CNCC[C@@H](C)O a83b9cef4b98b39c5db36346fb8a2f84 [0,2,0,0,0,0|1,0,1]=4 2589 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [1,0,0,1,0,0|2,0,0]=4 2590 B7R1.1 FCN1CC=CC1 80d57499f25a891f36d281c50e71854c [1,0,0,1,0,0|2,0,0]=4 2591 B7R1.1 OCN1CC=CC1 7ff6422db20fb244739472dbcdc32e4d [1,0,0,1,0,0|1,0,0]=3 2592 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [1,0,0,1,0,0|2,0,0]=4 2593 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [1,0,0,1,0,0|1,0,1]=4 2594 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [1,0,0,1,0,0|1,0,1]=4 2595 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [1,0,0,1,0,0|2,0,0]=4 2596 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [1,0,0,1,0,0|2,0,0]=4 2597 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [1,0,0,1,0,0|2,0,0]=4 2598 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [1,0,0,1,0,0|1,0,1]=4 2599 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [1,0,0,1,0,0|1,0,1]=4 2600 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [1,0,0,1,0,0|1,0,1]=4 2601 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [1,0,0,1,0,0|1,0,1]=4 2602 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [1,0,0,1,0,0|1,0,1]=4 2603 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [1,0,0,1,0,0|1,0,1]=4 2604 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [1,0,0,1,0,0|1,0,1]=4 2605 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [1,0,0,1,0,0|1,0,1]=4 2606 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [1,0,0,1,0,0|1,0,1]=4 2607 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [1,0,0,1,0,0|1,0,1]=4 2608 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [1,0,0,1,0,0|1,0,1]=4 2609 B9R1.2 CCN1CC=CC(C1)O c6d03f688e44a836212478eabc593db6 [0,1,0,1,0,0|2,0,0]=4 2610 B9R1.2 CCN1CCCC(C1)O 01dd02e5bf6117a7fa48ae871f4642c4 [0,1,0,1,0,0|1,0,1]=4 2611 B9R1.2 CCN1CCC[C@@H](C1)O d6e6558187b53da928a88c93a11d40fa [0,1,0,1,0,0|1,0,1]=4 2612 B9R1.2 CCN1CCC[C@H](C1)O 9fb116abf81f3b2aa3dfe9efc1670b96 [0,1,0,1,0,0|1,0,1]=4 2613 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,1,0,1,0,0|1,0,1]=4 2614 B9R1.2 O=C1CN(CCN1)CO 0ce2c3b0e7d808508a34999d9467140c [0,1,0,1,0,0|2,0,0]=4 2615 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,1,0,1,0,0|2,0,0]=4 2616 B9R1.2 OC1C=CCN(C1)CF efb0cf31bb25f13d864d95070133686b [0,1,0,1,0,0|2,0,0]=4 2617 B9R1.2 OCN1CC=CC(C1)O aed5d24fa0b2087a3cf5e034033fdea4 [0,1,0,1,0,0|1,0,0]=3 2618 B9R1.7 CCCN1CCC(C1)O eeee4c9ff31547429984de7fec1530e5 [0,1,0,1,0,0|1,0,1]=4 2619 B9R1.7 CCCN1CC[C@@H](C1)O addf13435b3a181b9ab32dc2532a69e7 [0,1,0,1,0,0|1,0,1]=4 2620 B9R1.7 CCCN1CC[C@H](C1)O cd6ac3bcff83f25d1af2efddd1475aec [0,1,0,1,0,0|1,0,1]=4 2621 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,1,0,1,0,0|1,0,1]=4 2622 B9R1.7 CCN[C@@H]1C=C[C@@H](C1)O 8595cfc92fafeb14afc1a9f2941efc02 [0,1,0,1,0,0|2,0,0]=4 2623 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,1,0,1,0,0|1,0,1]=4 2624 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,1,0,1,0,0|1,0,1]=4 2625 B9R1.7 CCN[C@H]1C=C[C@H](C1)O 1b322ffcd67ea9ec53acac9cb0d3d699 [0,1,0,1,0,0|2,0,0]=4 2626 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,1,0,1,0,0|1,0,1]=4 2627 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,1,0,1,0,0|1,0,1]=4 2628 B9R1.7 OCN[C@@H]1C=C[C@@H](C1)O fca76b8616afeed62b3ab2af5db81bb9 [0,1,0,1,0,0|1,0,0]=3 2629 B9R1.7 OCN[C@H]1C=C[C@H](C1)O 95e69a050bb34142811117800af6ee28 [0,1,0,1,0,0|1,0,0]=3 2630 B9R1.7 O[C@@H]1C=C[C@@H](C1)NCF 685cd0cf23ab133faa41a55e9c44a2ae [0,1,0,1,0,0|2,0,0]=4 2631 B9R1.7 O[C@H]1C=C[C@H](C1)NCF 359dc02826c747335100c358b1eb75fa [0,1,0,1,0,0|2,0,0]=4 2632 B9R1.8 C#CCN1CC=CCC1 edb9e76467b72f9a59ea5c9480f8b5bd [0,1,0,1,0,0|1,0,1]=4 2633 B9R1.8 C=CCN1CC=CCC1 9d40e1593aaf276bd794cb1d0e7456ba [0,1,0,1,0,0|1,0,1]=4 2634 B9R1.8 CCCN1CC=CCC1 b2b2bdd1f884fc798a7998521a87c745 [0,1,0,1,0,0|1,0,0]=3 2635 B9R1.8 CCCN1CCCOC1 f24207267ec2bfd6a98a300d3d8157f4 [0,1,0,1,0,0|1,0,1]=4 2636 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,1,0,1,0,0|2,0,0]=4 2637 B9R1.8 CCNC1CCCOC1 44e7a9c60ab74c80ef1160380a9b9fb7 [0,1,0,1,0,0|1,0,1]=4 2638 B9R1.8 CCN[C@@H]1CCCOC1 6c80b60090682b5fd207bb8d7a62fd53 [0,1,0,1,0,0|1,0,1]=4 2639 B9R1.8 CCN[C@H]1CCCOC1 e5738a32ab8207497f49a57ad67aa158 [0,1,0,1,0,0|1,0,1]=4 2640 B9R1.8 CCOC1C=CCCC1 7b09c8f3de0d6e6b8ab9978bfcb2c07e [0,1,0,1,0,0|2,0,0]=4 2641 B9R1.8 CCOC1CC=CCC1 cefd106d480c96ab62434f76bf5fbc62 [0,1,0,1,0,0|1,0,0]=3 2642 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [0,1,0,1,0,0|0,0,2]=4 2643 B9R1.8 CCOC1CCCOC1 28e0b80b41504c5ce6342a42ff1482ae [0,1,0,1,0,0|1,0,1]=4 2644 B9R1.8 CCO[C@@H]1CCCOC1 e2635ce7ad18ae3f1004b0745c859319 [0,1,0,1,0,0|1,0,1]=4 2645 B9R1.8 CCO[C@H]1CCCOC1 bd7b8624ac6ebefc862948904b1aa0ec [0,1,0,1,0,0|1,0,1]=4 2646 B9R1.8 COCN1CC=CCC1 9249687bcd95f4a1b93320145fd8c758 [0,1,0,1,0,0|1,0,0]=3 2647 B9R1.8 CSCN1CC=CCC1 9669bbb4c189280daf66252f3e686dcf [0,1,0,1,0,0|1,1,0]=4 2648 B9R1.8 FCCN1CC=CCC1 3e24f89134e166a0eb2ba517fd309e1c [0,1,0,1,0,0|1,0,0]=3 2649 B9R1.8 FCNC1C=CCCC1 a6c9055f0f7c2d63d4cffedb1b919b0e [0,1,0,1,0,0|2,0,0]=4 2650 B9R1.8 FCOC1C=CCCC1 f72e691aa681616e4382982069cb2aab [0,1,0,1,0,0|2,0,0]=4 2651 B9R1.8 FCOC1CC=CCC1 c353a07b1eabda3e7a00c8a49b3bee97 [0,1,0,1,0,0|1,0,0]=3 2652 B9R1.8 N#CCN1CC=CCC1 5a2693bc8b41d3e881705f39830cd8d6 [0,1,0,1,0,0|1,0,1]=4 2653 B9R1.8 O=CCN1CC=CCC1 9f54362e8ce21beda43dc22a34b679c8 [0,1,0,1,0,0|0,0,2]=4 2654 B9R1.8 OCCN1CC=CCC1 7a44a46b1b0fb045c46a5db87a011f17 [0,1,0,1,0,0|0,0,0]=2 2655 B9R1.8 OCCN1CCCOC1 4ac1af6b96a772d2363a3a7688cf99c1 [0,1,0,1,0,0|1,0,1]=4 2656 B9R1.8 OCCN1CCCSC1 c915cd6e6e346c30a52467eaefc5a6d7 [0,1,0,1,0,0|1,0,1]=4 2657 B9R1.8 OCCN1CCOCC1 bd3b70c8eabe7926e6951762ed00cd39 [0,1,0,1,0,0|1,0,1]=4 2658 B9R1.8 OCCN1CCSCC1 105e4885fcc64634326d88bbbf357395 [0,1,0,1,0,0|1,0,1]=4 2659 B9R1.8 OCNC1C=CCCC1 1877ec9d2ea79131b01ea5cbad981f77 [0,1,0,1,0,0|1,0,0]=3 2660 B9R1.8 OCNC1CCCOC1 1e46b72657889f1bc5f310e94cc9c168 [0,1,0,1,0,0|1,0,1]=4 2661 B9R1.8 OCNC1CCOCC1 0f665587adf9b667221f2fa84d4b9472 [0,1,0,1,0,0|1,0,1]=4 2662 B9R1.8 OCNC1CCSCC1 db5b731037ba4687f84dee5964616de0 [0,1,0,1,0,0|1,0,1]=4 2663 B9R1.8 OCN[C@@H]1CCCOC1 c945eddb3482423f8ee44c5f8e36f316 [0,1,0,1,0,0|1,0,1]=4 2664 B9R1.8 OCN[C@H]1CCCOC1 ce9921cc8ee8caf462b02b7aa2785265 [0,1,0,1,0,0|1,0,1]=4 2665 B9R1.8 SCCN1CC=CCC1 ae736f572d46cea033f113c24bdc4458 [0,1,0,1,0,0|0,1,0]=3 2666 B9R1.9 CCCNC1CC(C1)O 26e1fd9c3b290fcf8d9c8003bb64617c [0,1,0,1,0,0|1,0,1]=4 2667 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 639816bbd8c9f695a6b595dff2c974d9 [0,1,0,1,0,0|1,0,1]=4 2668 B9R1.9 CCCN[C@H]1C[C@H](C1)O 101ec41146bb3047972c082236077d26 [0,1,0,1,0,0|1,0,1]=4 2669 B9R1.9 CCNCC1CC(C1)O dc9ad7126206f0d70aa4ac14602a03c6 [0,1,0,1,0,0|1,0,1]=4 2670 B9R1.9 CCNC[C@H]1C[C@@H](C1)O a5fe02917c0cdc9924255dc28d603196 [0,1,0,1,0,0|1,0,1]=4 2671 B9R1.9 CCNC[C@H]1C[C@H](C1)O 360d1bc8688ca550e8982ca6ba80f785 [0,1,0,1,0,0|1,0,1]=4 2672 B9R1.9 OCCCN1CC(C1)F b6acff6032ae3fa09bc4873c559185c6 [0,1,0,1,0,0|1,0,1]=4 2673 B9R1.9 OCCCN1CC(C1)O 45a6a9d3f7e306402d3a468a065754c4 [0,1,0,1,0,0|1,0,1]=4 2674 B9R1.12 C#CCOC1C=CCC1 78f90eb97fcd9f3c05b2a302bda9b3f4 [0,1,0,1,0,0|1,0,1]=4 2675 B9R1.12 C=CCOC1C=CCC1 1094c1beddbebf59599e5ace5694e0a9 [0,1,0,1,0,0|1,0,1]=4 2676 B9R1.12 CCCNC1CCOC1 8aa4794435ee80b6e90e022aed381d39 [0,1,0,1,0,0|1,0,1]=4 2677 B9R1.12 CCCN[C@@H]1CCOC1 8731fe7bb7ba2b0f318f1146b2eb04ff [0,1,0,1,0,0|1,0,1]=4 2678 B9R1.12 CCCN[C@H]1CCOC1 5f78ec583f0541e99fcedcac0aab945c [0,1,0,1,0,0|1,0,1]=4 2679 B9R1.12 CCCOC1C=CCC1 c828ce14c6c0406fcb0a810d3d8e329e [0,1,0,1,0,0|1,0,0]=3 2680 B9R1.12 CCCOC1CCCO1 4e4ce5597ea66ad501ec25fa53d020dd [0,1,0,1,0,0|0,0,2]=4 2681 B9R1.12 CCCOC1CCOC1 8cbb45f98e2fad4f08813db013294a6a [0,1,0,1,0,0|1,0,1]=4 2682 B9R1.12 CCCO[C@@H]1CCOC1 0ced0c25035c746f7789ae5343f851de [0,1,0,1,0,0|1,0,1]=4 2683 B9R1.12 CCCO[C@H]1CCOC1 1602edfc26983fb15df3b9be5c904156 [0,1,0,1,0,0|1,0,1]=4 2684 B9R1.12 CCNCC1CCCO1 0d10918d6022ab0ba029f9bc507ef0d5 [0,1,0,1,0,0|0,0,2]=4 2685 B9R1.12 CCNCC1CCOC1 6d12a38928caf06de03d6ba41184df23 [0,1,0,1,0,0|1,0,1]=4 2686 B9R1.12 CCNC[C@@H]1CCCO1 b1829889cbf982f3fcb1bb0335d251c8 [0,1,0,1,0,0|0,0,2]=4 2687 B9R1.12 CCNC[C@@H]1CCOC1 40248396918497bc57b744b3d8e84c74 [0,1,0,1,0,0|1,0,1]=4 2688 B9R1.12 CCNC[C@H]1CCCO1 5696667f73ca7c93f1dd7a4fdf14dc92 [0,1,0,1,0,0|0,0,2]=4 2689 B9R1.12 CCNC[C@H]1CCOC1 baba2e16764a3a1555b4742a47a27539 [0,1,0,1,0,0|1,0,1]=4 2690 B9R1.12 CCOCC1C=CCC1 608a599d2ce1d9806fd4dc0424859b06 [0,1,0,1,0,0|1,0,0]=3 2691 B9R1.12 CCOCC1CCCO1 2054eb6e81b646f33dc6d98216be64f2 [0,1,0,1,0,0|0,0,2]=4 2692 B9R1.12 CCOCC1CCOC1 081b8a302e395d21423b992decfc7864 [0,1,0,1,0,0|1,0,1]=4 2693 B9R1.12 CCOC[C@@H]1CCCO1 a2ec9082c3cefa87960b2eb598c83c97 [0,1,0,1,0,0|0,0,2]=4 2694 B9R1.12 CCOC[C@@H]1CCOC1 110af67d4a3e1691dca41b1082ecc779 [0,1,0,1,0,0|1,0,1]=4 2695 B9R1.12 CCOC[C@H]1CCCO1 2cdc5ffd4542ac26ce370875427cfda2 [0,1,0,1,0,0|0,0,2]=4 2696 B9R1.12 CCOC[C@H]1CCOC1 324f1ca870799e717de7b33cf11a0c3d [0,1,0,1,0,0|1,0,1]=4 2697 B9R1.12 COCOC1C=CCC1 60321e5ed5ab9ce1c7795d52a55da74c [0,1,0,1,0,0|1,0,0]=3 2698 B9R1.12 COCOC1CCCO1 20e6e3930a8f26f1a2205045bfbc4b80 [0,1,0,1,0,0|1,0,1]=4 2699 B9R1.12 CSCOC1C=CCC1 2f30b39bea57bfbdbcf87990323d89a9 [0,1,0,1,0,0|1,1,0]=4 2700 B9R1.12 CSCOC1CCCO1 821393188cd42b944a93875485042f3d [0,1,0,1,0,0|1,0,1]=4 2701 B9R1.12 FCCOC1C=CCC1 cbc2e8ffa027bf1f463d41314a949221 [0,1,0,1,0,0|1,0,0]=3 2702 B9R1.12 FCCOC1CCCO1 68089a96fc2763d6f90ba264b52bfdb0 [0,1,0,1,0,0|1,0,1]=4 2703 B9R1.12 FCOCC1C=CCC1 e1fbfd93ee3ac19dc132c9e982f50f7b [0,1,0,1,0,0|1,0,0]=3 2704 B9R1.12 N#CCOC1C=CCC1 63ecdb2569628a0084dd369ed8eedad6 [0,1,0,1,0,0|1,0,1]=4 2705 B9R1.12 O=CCOC1C=CCC1 41dbe9bc4abbc85f5c193c497af03476 [0,1,0,1,0,0|0,0,2]=4 2706 B9R1.12 OCCCN1CC=CC1 c06c37422b3d9b28b0837003ef642590 [0,1,0,1,0,0|0,0,2]=4 2707 B9R1.12 OCCCN1CCSC1 5520df57acea4dd7eb8b9ab2544ceb00 [0,1,0,1,0,0|1,0,1]=4 2708 B9R1.12 OCCNC1CC=CC1 20ab980b1400e17133a58650ebedd1f2 [0,1,0,1,0,0|0,0,2]=4 2709 B9R1.12 OCCNC1CCCC1 9d5f875d5eb73651d88d7104c6380a67 [0,1,0,1,0,0|0,0,2]=4 2710 B9R1.12 OCCNC1CCOC1 fdf6b6dc414a88b0f36bfd4a50f03298 [0,1,0,1,0,0|1,0,1]=4 2711 B9R1.12 OCCNC1CCSC1 d99cb9c06f8367be24a6045e92e955c2 [0,1,0,1,0,0|1,0,1]=4 2712 B9R1.12 OCCN[C@@H]1CCOC1 28970b6b2470767fd2ccedecbbb062c9 [0,1,0,1,0,0|1,0,1]=4 2713 B9R1.12 OCCN[C@H]1CCOC1 9bad1cfbb4774db40715135436877842 [0,1,0,1,0,0|1,0,1]=4 2714 B9R1.12 OCNCC1CC=CC1 88c3b83101eb14d64b3793b30b2d48bf [0,1,0,1,0,0|0,0,2]=4 2715 B9R1.12 OCNCC1CCCC1 63e67e159d02f35a31c5acd4ee272edf [0,1,0,1,0,0|0,0,2]=4 2716 B9R1.12 OCNCC1CCCO1 7c0145316512c0419865b607461c30ec [0,1,0,1,0,0|1,0,1]=4 2717 B9R1.12 OCNCC1CCOC1 032d8b6e84b177c1da4b8ce765a00bf4 [0,1,0,1,0,0|1,0,1]=4 2718 B9R1.12 OCNC[C@@H]1CCCO1 31a00fae912ba8548490b36aab3d2de9 [0,1,0,1,0,0|1,0,1]=4 2719 B9R1.12 OCNC[C@@H]1CCOC1 80da478af0eddeea50d3e38dcddd96c5 [0,1,0,1,0,0|1,0,1]=4 2720 B9R1.12 OCNC[C@H]1CCCO1 a07951c9126dda0c80fe24218d274d55 [0,1,0,1,0,0|1,0,1]=4 2721 B9R1.12 OCNC[C@H]1CCOC1 7e43c06cf849cb0033f39f0aa724fa6a [0,1,0,1,0,0|1,0,1]=4 2722 B9R1.12 SCCOC1C=CCC1 1eb2ad05048032626f6f74234cb19e24 [0,1,0,1,0,0|0,1,0]=3 2723 B9R1.12 SCCOC1CCCO1 8dbb3fe838b96ce29ae716c47c93ca97 [0,1,0,1,0,0|1,0,1]=4 2724 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,1,0,1,0,0|0,0,2]=4 2725 B9R1.15 CC1COCCN1CO 705303c7f5b77544a5d6b874419dd2f3 [0,1,0,1,0,0|1,0,1]=4 2726 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,1,0,1,0,0|0,0,2]=4 2727 B9R1.15 C[C@@H]1COCCN1CO cc00a904ba5929613dd582b457b98630 [0,1,0,1,0,0|1,0,1]=4 2728 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,1,0,1,0,0|0,0,2]=4 2729 B9R1.15 C[C@H]1COCCN1CO baf0a3d72ae51972944f2afc0599cf12 [0,1,0,1,0,0|1,0,1]=4 2730 B9R1.18 CCN[C@H]1C[C@@H]1COC 861d94dd2645fe0c74a317fb9f8d0fbf [0,1,0,1,0,0|1,0,1]=4 2731 B9R1.18 CCN[C@H]1C[C@H]1COC d7fd21f23497fe2567b4cb4aa20db5d4 [0,1,0,1,0,0|1,0,1]=4 2732 B9R1.20 CCCN[C@@H]1C[C@@H]1OC 825a0d4a5ca05cfeadb76c25af276c7f [0,1,0,1,0,0|1,0,1]=4 2733 B9R1.20 CCCN[C@@H]1C[C@H]1CO 01648121b5a98061b42153e4ab393cb1 [0,1,0,1,0,0|0,0,2]=4 2734 B9R1.20 CCCN[C@H]1C[C@@H]1CO a1b2b11710ee676daec5dfb5dac0dd9a [0,1,0,1,0,0|0,0,2]=4 2735 B9R1.20 CCCN[C@H]1C[C@H]1CO 4d8b1610d3004ae2b8fad1ac32f50857 [0,1,0,1,0,0|0,0,2]=4 2736 B9R1.20 CCNCC1CC1CO cbd7260b3c76e2ddd15b4e5660cc138c [0,1,0,1,0,0|0,0,2]=4 2737 B9R1.20 COCN[C@@H]1C[C@H]1CO 866f9f924fddeafb560521f16687abda [0,1,0,1,0,0|1,0,1]=4 2738 B9R1.20 COCN[C@H]1C[C@@H]1CO 06532c20c96495120c8c7b87aa66388c [0,1,0,1,0,0|1,0,1]=4 2739 B9R1.20 COCN[C@H]1C[C@H]1CO 86e8354e25e8245c49a8eb95731822fc [0,1,0,1,0,0|1,0,1]=4 2740 B9R1.20 CSCN[C@@H]1C[C@H]1CO dc2a1a5a1f2adb139175891421214e12 [0,1,0,1,0,0|1,0,1]=4 2741 B9R1.20 CSCN[C@H]1C[C@@H]1CO 61f7606f37c843bf96d97380b06aa573 [0,1,0,1,0,0|1,0,1]=4 2742 B9R1.20 CSCN[C@H]1C[C@H]1CO dd0cc656d4ea6c6e91b40f8be90a90fc [0,1,0,1,0,0|1,0,1]=4 2743 B9R1.20 OCCN[C@@H]1C[C@H]1CO e74e21b2ad666ffccd308bf9aab2e929 [0,1,0,1,0,0|1,0,1]=4 2744 B9R1.20 OCCN[C@H]1C[C@@H]1CO 70463c7bf6766fb9cc8b4b6d11bb7876 [0,1,0,1,0,0|1,0,1]=4 2745 B9R1.20 OCCN[C@H]1C[C@H]1CO 75e59c7443b1790d98fe2f7044d7a482 [0,1,0,1,0,0|1,0,1]=4 2746 B9R1.20 OC[C@@H]1C[C@@H]1NCCF d44053c67f226b915015d41f5ae3d61c [0,1,0,1,0,0|1,0,1]=4 2747 B9R1.20 OC[C@@H]1C[C@@H]1NCCS 1dea07c6209e2b55e3805c5038e3ef49 [0,1,0,1,0,0|1,0,1]=4 2748 B9R1.20 OC[C@@H]1C[C@H]1NCCF a0b87aa50906d585d0b266ef1aecefe7 [0,1,0,1,0,0|1,0,1]=4 2749 B9R1.20 OC[C@@H]1C[C@H]1NCCS 869b5752966e37dccf553feb99674c13 [0,1,0,1,0,0|1,0,1]=4 2750 B9R1.20 OC[C@H]1C[C@@H]1NCCF 2bc75adc05f237ceed18ae2276935e60 [0,1,0,1,0,0|1,0,1]=4 2751 B9R1.20 OC[C@H]1C[C@@H]1NCCS b17013bc8c962284b6dfde68839c20de [0,1,0,1,0,0|1,0,1]=4 2752 B9R1.33 CC1CCCN1CCO 281a8d841757602b2230f2ac436bc7ad [0,1,0,1,0,0|0,0,2]=4 2753 B9R1.33 CC1SCCN1CCO fa892f5f296f70ac492ea8141f9c901c [0,1,0,1,0,0|1,0,1]=4 2754 B9R1.33 CCCN1CCCC1O 896bbb6e21363ca7dd9cc7555c30bb4b [0,1,0,1,0,0|0,0,2]=4 2755 B9R1.33 CCNC1CCCC1O 4082360f4f038038f347b5d184fd111c [0,1,0,1,0,0|0,0,2]=4 2756 B9R1.33 CCNC1COCC1O 8a75344fee0f6d15c18b87a9ac68818b [0,1,0,1,0,0|1,0,1]=4 2757 B9R1.33 CCN[C@@H]1CCC[C@@H]1O 7fc0c82c19f54fdb7ff37f6b41c3ad62 [0,1,0,1,0,0|0,0,2]=4 2758 B9R1.33 CCN[C@@H]1CCC[C@H]1O 7200f16a31f279f976985efc0dd1963a [0,1,0,1,0,0|0,0,2]=4 2759 B9R1.33 CCN[C@@H]1COC[C@@H]1O f2cb73d810a94a519b0c613aca931e40 [0,1,0,1,0,0|1,0,1]=4 2760 B9R1.33 CCN[C@@H]1COC[C@H]1O 3d2e7b04498e79a9127ad031bd6cd585 [0,1,0,1,0,0|1,0,1]=4 2761 B9R1.33 CCN[C@H]1CCC[C@@H]1O 7e9e41c880fd9b1705872b4570e9e9a4 [0,1,0,1,0,0|0,0,2]=4 2762 B9R1.33 CCN[C@H]1CCC[C@H]1O b25a1a46741ef202e0fa8a6fbd0108ff [0,1,0,1,0,0|0,0,2]=4 2763 B9R1.33 CCN[C@H]1COC[C@@H]1O 15371f0f0a7d19cd3e10ba8becd75c88 [0,1,0,1,0,0|1,0,1]=4 2764 B9R1.33 CCN[C@H]1COC[C@H]1O e7fb4c48251b142ea94797dd89ddefcf [0,1,0,1,0,0|1,0,1]=4 2765 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,1,0,1,0,0|0,0,2]=4 2766 B9R1.33 CCOC1CCC=C1Br 2ca22966d75696c196cb5ae7056941e2 [0,1,0,1,0,0|2,0,0]=4 2767 B9R1.33 COCN1CCCC1O 8b98ba1cb4ce15abcde5fe57fcac32a2 [0,1,0,1,0,0|1,0,1]=4 2768 B9R1.33 CSCN1CCCC1O 815195a55b563b786369c78b0e58b3f9 [0,1,0,1,0,0|1,0,1]=4 2769 B9R1.33 C[C@@H]1CCCN1CCO 09597fc03649e0133d260389224063ff [0,1,0,1,0,0|0,0,2]=4 2770 B9R1.33 C[C@H]1CCCN1CCO d9a463a7c3fe8fd3082bc4ccbe366d3c [0,1,0,1,0,0|0,0,2]=4 2771 B9R1.33 FCOC1CCC=C1Br 8aaf06669a9be7f6e988db174008ab4a [0,1,0,1,0,0|2,0,0]=4 2772 B9R1.33 O=C1NCCC1NCO f89457b8b6195d5e1e378aab9b707899 [0,1,0,1,0,0|2,0,0]=4 2773 B9R1.33 O=C1NCC[C@@H]1NCO 8e6a4f04c55a75e390a6856d15c97bad [0,1,0,1,0,0|2,0,0]=4 2774 B9R1.33 O=C1NCC[C@H]1NCO d03ec1da6f87c1b1f9b15a44bc1d78ad [0,1,0,1,0,0|2,0,0]=4 2775 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,1,0,1,0,0|2,0,0]=4 2776 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,1,0,1,0,0|2,0,0]=4 2777 B9R1.33 O=C1SCCC1NCO 971434990856107bfee853a9f2299987 [0,1,0,1,0,0|2,0,0]=4 2778 B9R1.33 OC1CCCN1CCF 5908042fb0d483870c7c6d7b0ef663ea [0,1,0,1,0,0|1,0,1]=4 2779 B9R1.33 OC1CCCN1CCS c6710ff513719fa5686638f019381e34 [0,1,0,1,0,0|1,0,1]=4 2780 B9R1.33 OCCN1CCCC1O 8d56158ce663c0576a5663e88c47e79c [0,1,0,1,0,0|1,0,1]=4 2781 B9R1.58 CCCN1CC(C1)CO d0bfc827a719a7fb376119976dccaafd [0,1,0,1,0,0|1,0,1]=4 2782 B9R1.58 CCNC1CC(C1)CO ea4ac855be1a3d26dbcbc017e2465ee8 [0,1,0,1,0,0|1,0,1]=4 2783 B9R1.58 CCN[C@H]1C[C@@H](C1)CO 0dbd203ea206054c9a2d64c99a4a0eb0 [0,1,0,1,0,0|1,0,1]=4 2784 B9R1.58 CCN[C@H]1C[C@H](C1)CO 5cb8b8907db9931e9b7154e8c3a5ce9b [0,1,0,1,0,0|1,0,1]=4 2785 B9R1.73 CC(CCO)N1CCC1 bf9d8dc5920e534d48abf84b77585b1d [0,1,0,1,0,0|1,0,1]=4 2786 B9R1.75 CC(CCO)NC1CC1 d14e432929bfe5cb047945c9896f3cca [0,1,0,1,0,0|1,0,1]=4 2787 B9R1.75 C[C@@H](CCO)NC1CC1 f4823aa824c786d230c28ff7d0aa25f2 [0,1,0,1,0,0|1,0,1]=4 2788 B9R1.75 C[C@H](CCO)NC1CC1 d923183f0a915c9b5b2d415e25ae6771 [0,1,0,1,0,0|1,0,1]=4 2789 B9R1.100 CN(CCCO)C1CC1 6c4a759b2a488252ee1820efcb1b80fe [0,1,0,1,0,0|1,0,1]=4 2790 B9R1.117 CCNCC1(CCO1)C afb2a2deed4aa574c9a19bace75deafb [0,1,0,1,0,0|1,0,1]=4 2791 B9R1.117 CCNC[C@@]1(CCO1)C b5181aecf77d24e415f446a88008254d [0,1,0,1,0,0|1,0,1]=4 2792 B9R1.117 CCOCC1(CCO1)C ccd27a204ec34f23d7f21b9c80585ee8 [0,1,0,1,0,0|1,0,1]=4 2793 B9R1.117 CCOC[C@@]1(CCO1)C d395cd5564dd83c42d2660c6ce3b2786 [0,1,0,1,0,0|1,0,1]=4 2794 B9R1.117 CCOC[C@]1(CCO1)C e2b63aaef9b04a80eedf8ab9fd72001d [0,1,0,1,0,0|1,0,1]=4 2795 B9R1.4 CCC1CCN1CCO 42e0c0d6b21111978f6a52e5b99908e1 [0,1,0,1,0,0|0,0,2]=4 2796 B9R1.4 CCCN1CCC1CO 33129f2326759bd9720a53e2ca2c6bf6 [0,1,0,1,0,0|0,0,2]=4 2797 B9R1.4 CCCN1CC[C@@H]1CO e1b1e89d7dc4e0489358392e42c76f69 [0,1,0,1,0,0|0,0,2]=4 2798 B9R1.4 CCCN1CC[C@H]1CO d7949bf66e85eea0dd23f24feebae878 [0,1,0,1,0,0|0,0,2]=4 2799 B9R1.4 CCN1CCC1CCO 8ae3244fa8f43e0a305689cf5a724afa [0,1,0,1,0,0|0,0,2]=4 2800 B9R1.4 CCN1CCC1COC e67d05205d1bdb3e9257bbabd5608dd9 [0,1,0,1,0,0|1,0,1]=4 2801 B9R1.4 CCN1CC[C@@H]1COC 6f30b4052ce34d38b3a5648c96c1f144 [0,1,0,1,0,0|1,0,1]=4 2802 B9R1.4 CCN1CC[C@H]1COC ccab33799af8fdd6316402dcaac2513e [0,1,0,1,0,0|1,0,1]=4 2803 B9R1.4 CCNC1CCC1OC 0f664223af5b60ab9cdbf5ed461a859a [0,1,0,1,0,0|1,0,1]=4 2804 B9R1.4 CCN[C@@H]1CC[C@@H]1OC 99902442d880cad5b69ba19b750ed789 [0,1,0,1,0,0|1,0,1]=4 2805 B9R1.4 CCN[C@@H]1CC[C@H]1OC 32e0f6cd631da980c7182d0387843a2c [0,1,0,1,0,0|1,0,1]=4 2806 B9R1.4 CCN[C@H]1CC[C@@H]1OC b22b19141bf08ebb5c748150dd50aa85 [0,1,0,1,0,0|1,0,1]=4 2807 B9R1.4 CCN[C@H]1CC[C@H]1OC dfe876a2e1fdb14f3260fce8b603d7f5 [0,1,0,1,0,0|1,0,1]=4 2808 B9R1.4 COCN1CCC1CO d24cece747661acb116b0fcbe2ec885e [0,1,0,1,0,0|1,0,1]=4 2809 B9R1.4 COCN1CC[C@@H]1CO f90cc9458de36233989af8de9b86db49 [0,1,0,1,0,0|1,0,1]=4 2810 B9R1.4 COCN1CC[C@H]1CO 2b438a549028c0f01754e94e4361318b [0,1,0,1,0,0|1,0,1]=4 2811 B9R1.4 CSCN1CCC1CO d7f609e3775eb225212784a96f63e712 [0,1,0,1,0,0|1,0,1]=4 2812 B9R1.4 CSCN1CC[C@@H]1CO de2a1fa0da671df0d7f70d7fd00e0f7d [0,1,0,1,0,0|1,0,1]=4 2813 B9R1.4 CSCN1CC[C@H]1CO 202969e70e5903fdc064977db5226933 [0,1,0,1,0,0|1,0,1]=4 2814 B9R1.4 OCC1CCN1CCF 5674d6d4d2eadaff4a99e28036db5213 [0,1,0,1,0,0|1,0,1]=4 2815 B9R1.4 OCC1CCN1CCS b8279c68a4da293667d0570327b54e30 [0,1,0,1,0,0|1,0,1]=4 2816 B9R1.4 OCCN1CCC1CO 011825fd67d2f5a014372922816538a7 [0,1,0,1,0,0|1,0,1]=4 2817 B9R1.4 OCCN1CC[C@@H]1CO 6395e22f27034fd1b06c1559ef935719 [0,1,0,1,0,0|1,0,1]=4 2818 B9R1.4 OCCN1CC[C@H]1CO ae67e3e463fbdd48944d12027dc9b428 [0,1,0,1,0,0|1,0,1]=4 2819 B9R1.4 OC[C@@H]1CCN1CCF 00619a891d7cc54cf406f14f8c07c34c [0,1,0,1,0,0|1,0,1]=4 2820 B9R1.4 OC[C@@H]1CCN1CCS 365ad4e477f16e1a1f8ac72ad958dcf2 [0,1,0,1,0,0|1,0,1]=4 2821 B9R1.4 OC[C@H]1CCN1CCF 85142badeedecb60f7cab01d0fe071bc [0,1,0,1,0,0|1,0,1]=4 2822 B9R1.4 OC[C@H]1CCN1CCS b53de1ac48adab36fb41635ab3f19244 [0,1,0,1,0,0|1,0,1]=4 2823 B9R1.14 CCC1CCCN1CO c6b0552297ecd81b340673988242e49e [0,1,0,1,0,0|0,0,2]=4 2824 B9R1.14 CCN1CC=CC1CO 588d35e44178b5f5c903ec1be725dc4b [0,1,0,1,0,0|0,0,2]=4 2825 B9R1.14 CCN1CCCC1CO 4cc70a524b6a49ae6ff776db26f663d6 [0,1,0,1,0,0|0,0,2]=4 2826 B9R1.14 CCN1CCCC1OC 9b7034b2ef4a9a1e58e21607d3078475 [0,1,0,1,0,0|1,0,1]=4 2827 B9R1.14 CCN1CCC[C@@H]1CO 06f5f2fca38eb9626faec3727a8f59e6 [0,1,0,1,0,0|0,0,2]=4 2828 B9R1.14 CCN1CCC[C@H]1CO e5330ba4d388a8e39b15a149c876b607 [0,1,0,1,0,0|0,0,2]=4 2829 B9R1.14 CC[C@@H]1CCCN1CO 79102ed9add4e6c642219a59503e87a6 [0,1,0,1,0,0|0,0,2]=4 2830 B9R1.14 OCC1C=CCN1CF 921ede5f97c89c10ff85b22651a07d51 [0,1,0,1,0,0|2,0,0]=4 2831 B9R1.14 OCC1C=CCN1CO fabeb3b6d76ce976472c2b7e5492fc39 [0,1,0,1,0,0|1,0,0]=3 2832 B9R1.16 CC1CC1NCCCO d8cc7bd276ec3b4c8d2a48d69b32c773 [0,1,0,1,0,0|0,0,2]=4 2833 B9R1.16 OCCCN[C@@H]1C[C@H]1F 7f4dbe57d8b525dae0c9377bdfb059b9 [0,1,0,1,0,0|1,0,1]=4 2834 B9R1.16 OCCCN[C@H]1C[C@@H]1F fb8a6e3a23cdbdf46e860e7830affece [0,1,0,1,0,0|1,0,1]=4 2835 B9R1.16 OCCCN[C@H]1C[C@H]1F 4cb07215d5fbccf1fab9d4626af36c33 [0,1,0,1,0,0|1,0,1]=4 2836 B9R1.17 BrCCNCC1CCO1 1dff4bc3707e08aec8c70e0d90856f9a [0,1,0,1,0,0|1,0,1]=4 2837 B9R1.17 BrCCNC[C@@H]1CCO1 920cee32a9ec116f338e8c92cc610426 [0,1,0,1,0,0|1,0,1]=4 2838 B9R1.17 BrCCNC[C@H]1CCO1 f3dc235418b4fb0ccde62e8ccc45c601 [0,1,0,1,0,0|1,0,1]=4 2839 B9R1.17 CC/C=C/CN1CCC1 00bce6f94f88e4fad015011e92441d45 [0,1,0,1,0,0|1,0,0]=3 2840 B9R1.17 CCCNCC1CCO1 787b259f563a64412a05f6375c510307 [0,1,0,1,0,0|0,0,2]=4 2841 B9R1.17 CCCNCC1COC1 9e70842492f5abe047d32cd9a431660c [0,1,0,1,0,0|1,0,1]=4 2842 B9R1.17 CCCNC[C@@H]1CCO1 09e702ada7d1001485e8ef84f376d413 [0,1,0,1,0,0|0,0,2]=4 2843 B9R1.17 CCCNC[C@H]1CCO1 cff33eb3b6a9e99c0c6a161e680951b7 [0,1,0,1,0,0|0,0,2]=4 2844 B9R1.17 CCCOCC1CCO1 dce9304902398e33f033a8ebfca20c53 [0,1,0,1,0,0|0,0,2]=4 2845 B9R1.17 CCCOCC1COC1 51179db10ee449120577f8bb7f6d1912 [0,1,0,1,0,0|1,0,1]=4 2846 B9R1.17 CCCOC[C@@H]1CCO1 c245ae24508202032a63f9f16acb84cf [0,1,0,1,0,0|0,0,2]=4 2847 B9R1.17 CCCOC[C@H]1CCO1 41d8fefb0693f7efdbac57d0fec29667 [0,1,0,1,0,0|0,0,2]=4 2848 B9R1.17 CCNCCC1CCO1 4ae5fe85c000a9c5bb25d4ff5bb61f46 [0,1,0,1,0,0|0,0,2]=4 2849 B9R1.17 CCNCCC1COC1 fef1783a53001c5a7436fea50261b718 [0,1,0,1,0,0|1,0,1]=4 2850 B9R1.17 CCNCC[C@@H]1CCO1 87fce7fd72273e8060816918b85a2637 [0,1,0,1,0,0|0,0,2]=4 2851 B9R1.17 CCOCCC1CCO1 cd6091d78b963fcc0d69fc11334e4cc1 [0,1,0,1,0,0|0,0,2]=4 2852 B9R1.17 CCOCCC1COC1 2c1aa299d046f19075b4f55753eb4b56 [0,1,0,1,0,0|1,0,1]=4 2853 B9R1.17 CCOCC[C@@H]1CCO1 5a8cf1d590ea701c17ab71cbcce8b435 [0,1,0,1,0,0|0,0,2]=4 2854 B9R1.17 CCOCC[C@H]1CCO1 585e9080fae90924dbee753be634e6b9 [0,1,0,1,0,0|0,0,2]=4 2855 B9R1.17 COCCCN1CCC1 f588b6aca63e709b96869fb6f0aa7bc2 [0,1,0,1,0,0|1,0,1]=4 2856 B9R1.17 COCNCC1CCO1 c399d5aebb3b013b9ebd1b1ca994628a [0,1,0,1,0,0|1,0,1]=4 2857 B9R1.17 COCNC[C@@H]1CCO1 40637c4f4c07fb7676cc38b7cedaec43 [0,1,0,1,0,0|1,0,1]=4 2858 B9R1.17 COCNC[C@H]1CCO1 52bac1e3216f932e20992bb79d9fc3a2 [0,1,0,1,0,0|1,0,1]=4 2859 B9R1.17 COCOCC1CCO1 09fd28a73ccbc8c638d6f31aa99da7ff [0,1,0,1,0,0|1,0,1]=4 2860 B9R1.17 COCOC[C@@H]1CCO1 d7f0f17ed91ade35d0560c1aa17c9591 [0,1,0,1,0,0|1,0,1]=4 2861 B9R1.17 COCOC[C@H]1CCO1 52148cb36fe79b54cd4adae0bdb4ff0c [0,1,0,1,0,0|1,0,1]=4 2862 B9R1.17 CSCNCC1CCO1 328bf74167d16da0914611f3f3e751dc [0,1,0,1,0,0|1,0,1]=4 2863 B9R1.17 CSCNC[C@@H]1CCO1 3c03b7cc5edaa459ca746f76327098c6 [0,1,0,1,0,0|1,0,1]=4 2864 B9R1.17 CSCNC[C@H]1CCO1 6992e1ef181b45eb16d0516db549e105 [0,1,0,1,0,0|1,0,1]=4 2865 B9R1.17 CSCOCC1CCO1 6c8e2111a3f94134e80bf8dc4d57f591 [0,1,0,1,0,0|1,0,1]=4 2866 B9R1.17 CSCOC[C@@H]1CCO1 8deef529a0cde32bbd303d6f89fa57ab [0,1,0,1,0,0|1,0,1]=4 2867 B9R1.17 CSCOC[C@H]1CCO1 63e1bb878dc9711500979a8b17c3ea2f [0,1,0,1,0,0|1,0,1]=4 2868 B9R1.17 FCCNCC1CCO1 c2356fe4083d6dda4045dd609df055d2 [0,1,0,1,0,0|1,0,1]=4 2869 B9R1.17 FCCNC[C@@H]1CCO1 b5f12fdd88c3394d8de30b995577b211 [0,1,0,1,0,0|1,0,1]=4 2870 B9R1.17 FCCNC[C@H]1CCO1 0a213a2c3138e550c08d30de0d830e83 [0,1,0,1,0,0|1,0,1]=4 2871 B9R1.17 FCCOCC1CCO1 7806ad5e6ae70d13ff50ed87dc11629e [0,1,0,1,0,0|1,0,1]=4 2872 B9R1.17 FCCOC[C@@H]1CCO1 2671611904c76bc05b4fea8a35610b04 [0,1,0,1,0,0|1,0,1]=4 2873 B9R1.17 FCCOC[C@H]1CCO1 fc45e6858c3c260890fd8931dc56a63e [0,1,0,1,0,0|1,0,1]=4 2874 B9R1.17 ICCNCC1CCO1 e1f64a14a303aff129bcebd27b7ba3c1 [0,1,0,1,0,0|1,0,1]=4 2875 B9R1.17 ICCNC[C@@H]1CCO1 dcb8a7639c353a1d9811ac0836620938 [0,1,0,1,0,0|1,0,1]=4 2876 B9R1.17 ICCNC[C@H]1CCO1 bb6db80cae457f19aeefc098d8af3247 [0,1,0,1,0,0|1,0,1]=4 2877 B9R1.17 OCCCCN1CCC1 ad673b251846124d682e68d41bd69794 [0,1,0,1,0,0|0,0,2]=4 2878 B9R1.17 OCCCNC1CCC1 2d0a61911a932f7b3f70f4abdaf93c51 [0,1,0,1,0,0|0,0,2]=4 2879 B9R1.17 OCCCNC1COC1 356471ea88243b549b10b78ac2d800d6 [0,1,0,1,0,0|1,0,1]=4 2880 B9R1.17 OCCNCC1CCC1 0db2b43d5f2b6e2bb72f605ddaa5a4a3 [0,1,0,1,0,0|0,0,2]=4 2881 B9R1.17 OCCNCC1CCO1 5028464e120ef5bbb11a14aafd3de825 [0,1,0,1,0,0|1,0,1]=4 2882 B9R1.17 OCCNC[C@@H]1CCO1 f094ef575f7552315545ed709ed8f60f [0,1,0,1,0,0|1,0,1]=4 2883 B9R1.17 OCCNC[C@H]1CCO1 660dba03a7ccaedf14fb444c089432c0 [0,1,0,1,0,0|1,0,1]=4 2884 B9R1.17 OCNCCC1CCC1 6cb48fdafa62be8921fec5036f8c18bd [0,1,0,1,0,0|0,0,2]=4 2885 B9R1.17 OCNCCC1CCO1 8baffb14bbf11d8d44289a6f0b70e41a [0,1,0,1,0,0|1,0,1]=4 2886 B9R1.17 OCNCCN1CCC1 dc5039ebd012a90385ea6e9867121b2c [0,1,0,1,0,0|1,0,1]=4 2887 B9R1.17 OCNCC[C@@H]1CCO1 33e39c6ec6313b56bda854592489b3f6 [0,1,0,1,0,0|1,0,1]=4 2888 B9R1.17 SCCNCC1CCO1 62d2cfc76232713b1f5aba4bbae92435 [0,1,0,1,0,0|1,0,1]=4 2889 B9R1.17 SCCNC[C@@H]1CCO1 47343bf325a765cb0078cca448ce726b [0,1,0,1,0,0|1,0,1]=4 2890 B9R1.17 SCCNC[C@H]1CCO1 464446a1d1393f1a6db7335bb96a7936 [0,1,0,1,0,0|1,0,1]=4 2891 B9R1.17 SCCOCC1CCO1 3153da5b485d0784119997884e35ce3a [0,1,0,1,0,0|1,0,1]=4 2892 B9R1.17 SCCOC[C@@H]1CCO1 d979bc04000d38eadddb72ca67633645 [0,1,0,1,0,0|1,0,1]=4 2893 B9R1.17 SCCOC[C@H]1CCO1 97197136988d3a4e8b7a67043ce7b1ac [0,1,0,1,0,0|1,0,1]=4 2894 B9R1.39 CC1OCC1NCCO 4aa8acd1f5a96c4f47962ac8d8f70c54 [0,1,0,1,0,0|1,0,1]=4 2895 B9R1.39 CCCNC1CCC1O d155a733c41c62abda7d08da95cfc65c [0,1,0,1,0,0|0,0,2]=4 2896 B9R1.39 CCCN[C@@H]1CC[C@@H]1O 26f710b672dad38acbb559b9bae73466 [0,1,0,1,0,0|0,0,2]=4 2897 B9R1.39 CCCN[C@@H]1CC[C@H]1O 1240837254956ece18ef0c124fef8aba [0,1,0,1,0,0|0,0,2]=4 2898 B9R1.39 CCCN[C@H]1CC[C@@H]1O 393ffdf10510a7842b6493a44dc8cabe [0,1,0,1,0,0|0,0,2]=4 2899 B9R1.39 CCCN[C@H]1CC[C@H]1O 05a01537d0a8846f5484509481105bbc [0,1,0,1,0,0|0,0,2]=4 2900 B9R1.39 COCNC1CCC1O f02238d064673c249a52955b6be6bc37 [0,1,0,1,0,0|1,0,1]=4 2901 B9R1.39 COCN[C@@H]1CC[C@@H]1O 343221b7c3898987c1845b292bdf2363 [0,1,0,1,0,0|1,0,1]=4 2902 B9R1.39 COCN[C@@H]1CC[C@H]1O cfc872b78253ca97ea2001af9edc173a [0,1,0,1,0,0|1,0,1]=4 2903 B9R1.39 COCN[C@H]1CC[C@@H]1O a93a06131333f161a68ff4e0082a29ac [0,1,0,1,0,0|1,0,1]=4 2904 B9R1.39 COCN[C@H]1CC[C@H]1O 6001ce6be2fe26be93ec34423556ae6b [0,1,0,1,0,0|1,0,1]=4 2905 B9R1.39 CSCNC1CCC1O e35637c20df1ac578d1a40920909753e [0,1,0,1,0,0|1,0,1]=4 2906 B9R1.39 CSCN[C@@H]1CC[C@@H]1O fe7446e6a7604529749a21ccee5ec183 [0,1,0,1,0,0|1,0,1]=4 2907 B9R1.39 CSCN[C@@H]1CC[C@H]1O 167a8639a767baab97dc63bec7939f0f [0,1,0,1,0,0|1,0,1]=4 2908 B9R1.39 CSCN[C@H]1CC[C@@H]1O 1289a841a7b14fe93d25104d77bcb269 [0,1,0,1,0,0|1,0,1]=4 2909 B9R1.39 CSCN[C@H]1CC[C@H]1O fad0b5bf54fdbc84673db9ca7dbebd32 [0,1,0,1,0,0|1,0,1]=4 2910 B9R1.39 C[C@@H]1CC[C@@H]1NCCO 06a8fabda842982d62baff95336c3842 [0,1,0,1,0,0|0,0,2]=4 2911 B9R1.39 C[C@@H]1CC[C@H]1NCCO 20e40c68c6c9e73ece74b6b077aa5521 [0,1,0,1,0,0|0,0,2]=4 2912 B9R1.39 O=C1CCC1NCCO 6ba8bc28b11ed8fcaf6b4ee2f92451e5 [0,1,0,1,0,0|1,0,1]=4 2913 B9R1.39 OC1CCC1NCCF 482878175f2d86504ac8f8eea589f6f6 [0,1,0,1,0,0|1,0,1]=4 2914 B9R1.39 OC1CCC1NCCS ebc9f68826bc1c58cc72810f9131ffc6 [0,1,0,1,0,0|1,0,1]=4 2915 B9R1.39 OCCNC1CCC1O 171c95f3412ea60ccaf22eed8177bf34 [0,1,0,1,0,0|1,0,1]=4 2916 B9R1.39 OCCN[C@@H]1CC[C@@H]1O 985eb6382f4df76927e9c4eb391fd2d0 [0,1,0,1,0,0|1,0,1]=4 2917 B9R1.39 OCCN[C@@H]1CC[C@H]1O fb0900c43eb98dcc659645e6b8587e0c [0,1,0,1,0,0|1,0,1]=4 2918 B9R1.39 OCCN[C@H]1CC[C@@H]1O 4c137233e7db24d264fe06726e36b1f4 [0,1,0,1,0,0|1,0,1]=4 2919 B9R1.39 OCCN[C@H]1CC[C@H]1O a024b9cf917224da23bfdb9e5cb134f8 [0,1,0,1,0,0|1,0,1]=4 2920 B9R1.39 O[C@@H]1CC[C@@H]1NCCF 7cb6a8d1f1a673aaec6b4fded04917ab [0,1,0,1,0,0|1,0,1]=4 2921 B9R1.39 O[C@@H]1CC[C@@H]1NCCS 6b1f5038a1e2a74876c0698da7ea97f9 [0,1,0,1,0,0|1,0,1]=4 2922 B9R1.39 O[C@@H]1CC[C@H]1NCCF d0f1360c612ae132b661bd980c3ed5c4 [0,1,0,1,0,0|1,0,1]=4 2923 B9R1.39 O[C@@H]1CC[C@H]1NCCS ed0e0abbab8cbb35bacf94de544feb08 [0,1,0,1,0,0|1,0,1]=4 2924 B9R1.39 O[C@H]1CC[C@@H]1NCCF 6d5818cfc3b9706e4b681ba6f45716f1 [0,1,0,1,0,0|1,0,1]=4 2925 B9R1.39 O[C@H]1CC[C@@H]1NCCS b6a2cf7749c4d80c838614a7679f68d2 [0,1,0,1,0,0|1,0,1]=4 2926 B9R1.39 O[C@H]1CC[C@H]1NCCF aabed13accde8fd055cae36fc27c02d3 [0,1,0,1,0,0|1,0,1]=4 2927 B9R1.39 O[C@H]1CC[C@H]1NCCS 8840078772757377a3b93c3b29aadc82 [0,1,0,1,0,0|1,0,1]=4 2928 B9R1.83 CC/C=C/CNC1CC1 9ee505651af255acd8127bb55f1abd0c [0,1,0,1,0,0|1,0,0]=3 2929 B9R1.83 CC/C=C/COC1CC1 525d315a9e849e84b4e36e46feb977a6 [0,1,0,1,0,0|1,0,0]=3 2930 B9R1.83 CC/C=C\COC1CC1 76ae3ceafffebf5641028a7eac5023b5 [0,1,0,1,0,0|1,0,0]=3 2931 B9R1.83 CCOC/C=C/C1CC1 36393420f06e24ce4ef1ff533b54569a [0,1,0,1,0,0|2,0,0]=4 2932 B9R1.83 COCCCNC1CC1 61e0346d2aedb5376968ffa469e24fb4 [0,1,0,1,0,0|1,0,1]=4 2933 B9R1.83 COCCCOC1CC1 705ce8b98f637a601a7f909e2bb8bf18 [0,1,0,1,0,0|1,0,1]=4 2934 B9R1.83 FCOC/C=C/C1CC1 801188400874e2f77b97f4cfa2cab1ad [0,1,0,1,0,0|2,0,0]=4 2935 B9R1.83 OCCCCNC1CC1 c4f4967ad469c6a279d6aa96bd53fadd [0,1,0,1,0,0|0,0,2]=4 2936 B9R1.83 OCCCNCC1CC1 40d7db90d231f4b1706e12f0cfad86e0 [0,1,0,1,0,0|0,0,2]=4 2937 B9R1.83 OCCNCCC1CC1 21febed634739e021e8829c4a7554e2e [0,1,0,1,0,0|0,0,2]=4 2938 B9R1.83 OCCNCCN1CC1 5a0ab84ec1378b39bb93519b88d0578f [0,1,0,1,0,0|1,0,1]=4 2939 B9R1.83 OCNCCOC1CC1 456369b5677a025114a072c9e32dc0df [0,1,0,1,0,0|1,0,1]=4 2940 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,1,0,0|0,0,2]=4 2941 B9R1.89 OCN1CCCOCC1 e5da19333e435076222444f0fc992871 [0,1,0,1,0,0|1,0,1]=4 2942 B9R1.1 CCN1CC=C(CC1)Br f13eef64baa3f192becc16ff7336bfe3 [0,1,0,1,0,0|2,0,0]=4 2943 B9R1.1 FCN1CC=C(CC1)Br d9274759d2cf186e87f07845e278f859 [0,1,0,1,0,0|2,0,0]=4 2944 B9R1.1 OCN1CC=C(CC1)Br fd290316ab438d4bed9240af9fbab26f [0,1,0,1,0,0|1,0,0]=3 2945 B9R1.21 CCN1CCC(C1)CO acdff276d4b839ef8c04381939dbe5e7 [0,1,0,1,0,0|1,0,1]=4 2946 B9R1.21 CCN1CC[C@@H](C1)CO 48328545a7d872fb4c0919a7aad4a213 [0,1,0,1,0,0|1,0,1]=4 2947 B9R1.21 CCN1CC[C@H](C1)CO 39703f8defd6e5d4b86cb99cb799f45b [0,1,0,1,0,0|1,0,1]=4 2948 B9R1.78 CCC(=O)NC1CC1C 42c677a5541bbbde1b9869b4aa770e12 [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 571748c781d0b470d0028ffd98609571 [0,1,0,1,0,0|2,0,0]=4 2950 B9R1.78 CCC(=O)N[C@H]1C[C@@H]1F fc76781735ad192667442d8184f4a43a [0,1,0,1,0,0|2,0,0]=4 2951 B9R1.78 CCC(=O)N[C@H]1C[C@H]1F 4521c55d514153d7c9ebcbb7fe8e069d [0,1,0,1,0,0|2,0,0]=4 2952 B9R1.79 CC(CO)CN1CCC1 d168c8219be1f770820d5e7c83d84077 [0,1,0,1,0,0|1,0,1]=4 2953 B9R1.79 CCC(=O)NC1CCC1 269364fc2d30f4a38dda69b505509556 [0,1,0,1,0,0|2,0,0]=4 2954 B9R1.79 CCN(C)CC1CCO1 9f7b1892a55aecae5157efc33f2b177f [0,1,0,1,0,0|1,0,1]=4 2955 B9R1.79 CCN(C)C[C@@H]1CCO1 3b21f82b1f442cac988fe84c9700a0c2 [0,1,0,1,0,0|1,0,1]=4 2956 B9R1.79 CCN(C)C[C@H]1CCO1 ae459f031ee03d57081f50f10a4aeac1 [0,1,0,1,0,0|1,0,1]=4 2957 B9R1.79 C[C@@H](CO)CN1CCC1 927b7cf27127a44201898f079512a0e6 [0,1,0,1,0,0|1,0,1]=4 2958 B9R1.79 C[C@H](CO)CN1CCC1 f011a8db877dff1098cc586b2fd10add [0,1,0,1,0,0|1,0,1]=4 2959 B9R1.79 OCC(O)CN1CCC1 77d495332a3dfcded8f272fcec03fd49 [0,1,0,1,0,0|1,0,1]=4 2960 B9R1.79 OC[C@@H](O)CN1CCC1 fe9bff743ecc366ae10fd8edc3aee57f [0,1,0,1,0,0|1,0,1]=4 2961 B9R1.79 OC[C@H](O)CN1CCC1 5cdca8e693d3a19839bfe09018b7b456 [0,1,0,1,0,0|1,0,1]=4 2962 B9R1.80 CC(CO)CNC1CC1 5f4090b02da81fafd03b814271260179 [0,1,0,1,0,0|1,0,1]=4 2963 B9R1.80 CCC(=O)NCC1CC1 0fd8034b5195a5a694e4806b7766cc71 [0,1,0,1,0,0|2,0,0]=4 2964 B9R1.80 C[C@@H](CO)CNC1CC1 0dae56d459e691c223210b0b3e1f7769 [0,1,0,1,0,0|1,0,1]=4 2965 B9R1.80 C[C@H](CO)CNC1CC1 8581a4702fc2a87244654d139612a33a [0,1,0,1,0,0|1,0,1]=4 2966 B9R1.80 OCC(F)CNC1CC1 3b4acde20dcbb17af591de1b63b101fc [0,1,0,1,0,0|1,0,1]=4 2967 B9R1.80 OCC(O)CNC1CC1 8516e8735a869915f0cd7e8e9c31287f [0,1,0,1,0,0|1,0,1]=4 2968 B9R1.80 OCC(O)COC1CC1 76df70328f0f37cb561b84cb3d7f524f [0,1,0,1,0,0|1,0,1]=4 2969 B9R1.80 OC[C@@H](F)CNC1CC1 517f96dd8f0cc2bbb376dd92dbd55d91 [0,1,0,1,0,0|1,0,1]=4 2970 B9R1.80 OC[C@@H](O)CNC1CC1 b0c8b4f5996282299dfc10e649ed5c69 [0,1,0,1,0,0|1,0,1]=4 2971 B9R1.80 OC[C@@H](O)COC1CC1 d9e29ace9afb0cf42c6aafedfece282e [0,1,0,1,0,0|1,0,1]=4 2972 B9R1.80 OC[C@H](F)CNC1CC1 e6d03a62d528bc49057e50f596907635 [0,1,0,1,0,0|1,0,1]=4 2973 B9R1.80 OC[C@H](O)CNC1CC1 7d9278a90d53785620ddeda8b03265d1 [0,1,0,1,0,0|1,0,1]=4 2974 B9R1.80 OC[C@H](O)COC1CC1 b919d013ebea877889cd4dc18135123f [0,1,0,1,0,0|1,0,1]=4 2975 B9R1.99 CC1(CC1)NCCCO e69b9c11d57236d61bf02f2e3916666d [0,1,0,1,0,0|1,0,1]=4 2976 B9R1.6 CC(C)N1CC=CCC1 98a5da3bdbbbea4b41808df07c9be627 [0,1,0,1,0,0|2,0,0]=4 2977 B9R1.13 CC(C)OC1C=CCC1 efb9e40ecea5a44e08bbcb1f691b8b79 [0,1,0,1,0,0|2,0,0]=4 2978 B9R1.13 CC(C)OC1CCCO1 af2408e49f3115bccbf657c1fe05b160 [0,1,0,1,0,0|1,0,1]=4 2979 B9R1.41 CC(C)N1CCCC1O 6f80a1c609c870584ffddcbaaad3ac7b [0,1,0,1,0,0|1,0,1]=4 2980 B9R1.67 CC(C)NC1CCC1O dc417730d8b8deae25e62c896cf992e7 [0,1,0,1,0,0|1,0,1]=4 2981 B9R1.67 CC(C)N[C@@H]1CC[C@@H]1O b7d251bf95fcff4d5781d14d664eded6 [0,1,0,1,0,0|1,0,1]=4 2982 B9R1.67 CC(C)N[C@@H]1CC[C@H]1O b6e3c2282d90b65c4b55a9e6d528ca84 [0,1,0,1,0,0|1,0,1]=4 2983 B9R1.67 CC(C)N[C@H]1CC[C@@H]1O e74c084cdd02da21931929230f389b43 [0,1,0,1,0,0|1,0,1]=4 2984 B9R1.67 CC(C)N[C@H]1CC[C@H]1O 33541660aade19ed781b3bdcdfa593e3 [0,1,0,1,0,0|1,0,1]=4 2985 B9R1.77 CC1(CN1CCCO)C 65512d39e38009f3440de6812e71b073 [0,1,0,1,0,0|1,0,1]=4 2986 B9R1.84 CC(C)NCC1CCO1 b2416a9b45fa08ef64a80aaf0f7f8b1d [0,1,0,1,0,0|1,0,1]=4 2987 B9R1.84 CC(C)NC[C@@H]1CCO1 41d6adb1bb4cfaaf9bf1fc09a8685d16 [0,1,0,1,0,0|1,0,1]=4 2988 B9R1.84 CC(C)NC[C@H]1CCO1 c2f370a88ec4cc0377b00e9a57ebb682 [0,1,0,1,0,0|1,0,1]=4 2989 B9R1.84 CC(C)OCC1CCO1 6dd03ea9fa93d5620934acc500209c85 [0,1,0,1,0,0|1,0,1]=4 2990 B9R1.84 CC(C)OC[C@@H]1CCO1 6e34a7c8eb080aca60084dc91f237acc [0,1,0,1,0,0|1,0,1]=4 2991 B9R1.84 CC(C)OC[C@H]1CCO1 de355a6e1b3df4104ae7d01b7eee8729 [0,1,0,1,0,0|1,0,1]=4 2992 B9R1.84 CC(O)CCN1CCC1 ff9e837ea604ad4bb78d61aacd2e986b [0,1,0,1,0,0|1,0,1]=4 2993 B9R1.85 CC(O)CCNC1CC1 d831798b3bd96a2a1eb8b44ce820c125 [0,1,0,1,0,0|1,0,1]=4 2994 B9R1.85 C[C@@H](O)CCNC1CC1 2d686f06321c342337ad7e01b43fcacd [0,1,0,1,0,0|1,0,1]=4 2995 B9R1.85 C[C@H](O)CCNC1CC1 75122ad820ea85c9501aa14d2208e1b1 [0,1,0,1,0,0|1,0,1]=4 2996 B9R1.86 CC(C)N[C@@H]1C[C@H]1CO f30cc39158aafbdd564db12cd6baeff0 [0,1,0,1,0,0|1,0,1]=4 2997 B9R1.86 CC(C)N[C@H]1C[C@@H]1CO 0e6543cd40e81932b37ee0fc221f6c2e [0,1,0,1,0,0|1,0,1]=4 2998 B9R1.86 CC(C)N[C@H]1C[C@H]1CO 825e73efbc07b0934499911cae93c669 [0,1,0,1,0,0|1,0,1]=4 2999 B9R1.96 CC(C)N1CCC1CO bba1aafb4024a4a9128c9bb843bf7b9f [0,1,0,1,0,0|1,0,1]=4 3000 B9R1.96 CC(C)N1CC[C@@H]1CO d5cb7fc46d3f7a6c7d5969fdff830e5b [0,1,0,1,0,0|1,0,1]=4 3001 B9R1.96 CC(C)N1CC[C@H]1CO 39f9e7f391bf1cd12b7cc49feb1cfbfb [0,1,0,1,0,0|1,0,1]=4