0 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCCNCO a9ed8c717b7ee1e1fd8d7809a5e484b3 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCNCCBr 2c308029fae4f5312dbe405df3cf13f6 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C#CCCNCCF 4f5f193a02d8fdf7dd67ec2f2011b686 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 C#CCCNCCI 6ee11ccbad19459df259d42cb58f5ef6 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C#CCCNCCO 3bc2f77fd57a27fb406b56574c907f90 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 C#CCCNCCS 2844ea5783fe3646d976561013aace98 [0,0,0,0,0,0|1,1,2]=4 9 B7R0.1 C#CCCOCC#C fccc327f03f7130b02510f446348d435 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.1 C#CCCOCC#N bd568a4add31d9d2feadebc03434e397 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,0,0,0,0,0|1,0,3]=4 12 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,0,0,0,0,0|0,0,4]=4 13 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.1 C#CCCOCCF cad37c818c142f7d736f92359c1451d0 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.1 C#CCCOCCS f5dfe7ea8cd7100b3a222a3ec7f9a19c [0,0,0,0,0,0|0,1,2]=3 16 B7R0.1 C#CCCOCOC 36c066d41d26482ed5ee75d0afe8617c [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 C#CCNCCCCl 5c9c271bcb88c7f56d489e4a793e8621 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C#CCNCCCF 279bd861169915910381757eeb364012 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.1 C#CCNCCCS c1f69a0bf63fe9081ded0a29bd679e0b [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C#CCNCCOC 997335a34ef003d48d244a0ddba27e07 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 C#CCNCOCC 791a5055b6dadf02042aec9a3a94990f [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C#CCOC/C=C/C 7200b892bba9c502a0a85d28ce9c424e [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 C#CCOC/C=C\C ef405990619e0afa6534cd25691537da [0,0,0,0,0,0|1,0,3]=4 28 B7R0.1 C#CCOCC#CC ea734134b9fe0127938b97550f340298 [0,0,0,0,0,0|1,0,3]=4 29 B7R0.1 C#CCOCC=CC 6aaf6b26d1bab4b1b731fd1ee3eba79c [0,0,0,0,0,0|1,0,3]=4 30 B7R0.1 C#CCOCCC#N 6a96b24e5bdc008621dd97fe83a5e723 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,0,0,0,0,0|1,0,3]=4 32 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,0,0,0,0,0|1,0,1]=2 34 B7R0.1 C#CCOCCCF 8e4a498daaa3abb486cffe02f0d9ca7f [0,0,0,0,0,0|2,0,1]=3 35 B7R0.1 C#CCOCCCS d2780b6c136095e09224f9173c87e1a2 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.1 C#CCOCOCC da2cc8333c6c199f28500fd01c717240 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,0,0,0,0,0|2,0,2]=4 40 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,0,0,0,0,0|2,0,2]=4 41 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,0,0,0,0,0|1,0,2]=3 44 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,0,0,0,0,0|1,1,2]=4 45 B7R0.1 C/C=C/COCC#N aebb35d9e1715ad39becccbbd130b890 [0,0,0,0,0,0|1,0,3]=4 46 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,0,0,0,0,0|0,0,4]=4 47 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,0,0,0,0,0|0,1,2]=3 50 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,0,0,0,0,0|2,0,2]=4 51 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,0,0,0,0,0|2,0,2]=4 52 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,0,0,0,0,0|1,0,2]=3 57 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,0,0,0,0,0|1,1,2]=4 58 B7R0.1 C/C=C\COCC#N e5abc9911258d0c833d5c139ce0e9a31 [0,0,0,0,0,0|1,0,3]=4 59 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,0,0,0,0,0|0,0,4]=4 60 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,0,0,0,0,0|1,0,2]=3 62 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,0,0,0,0,0|0,1,2]=3 63 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,0,0,0,0,0|2,0,2]=4 64 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,0,0,0,0,0|2,0,2]=4 67 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,0,0,0,0,0|3,0,1]=4 68 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,0,0,0,0,0|2,0,2]=4 69 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,0,0,0,0,0|1,1,2]=4 74 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,0,0,0,0,0|1,0,3]=4 75 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,0,0,0,0,0|1,0,3]=4 76 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,0,0,0,0,0|0,0,4]=4 77 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|1,0,2]=3 78 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,0,0,0,0,0|1,0,2]=3 79 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,0,0,0,0,0|0,1,2]=3 80 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,0,0,0,0,0|2,0,2]=4 81 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,0,0,0,0,0|2,0,2]=4 82 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,0,0,0,0,0|2,0,1]=3 83 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,0,0,0,0,0|2,0,2]=4 85 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,0,0,0,0,0|1,0,3]=4 88 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,0,0,0,0,0|1,0,3]=4 89 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,0,0,0,0,0|1,0,3]=4 90 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,0,0,0,0,0|1,0,3]=4 91 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,0,0,0,0,0|2,0,2]=4 92 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,0,0,0,0,0|2,0,2]=4 93 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,0,0,0,0|1,0,1]=2 94 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,0,0,0,0,0|2,0,1]=3 95 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,0,0,0,0,0|2,0,1]=3 96 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,0,0,0,0,0|2,0,1]=3 97 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,0,0,0,0,0|2,0,1]=3 98 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,0,0,0,0,0|2,0,2]=4 99 B7R0.1 CC#CCNCCF 01d48c161e79f77f95ae22b22084d06a [0,0,0,0,0,0|2,0,2]=4 100 B7R0.1 CC#CCNCCO 2843afe4d746cf0fa7225c6f04363618 [0,0,0,0,0,0|1,0,2]=3 101 B7R0.1 CC#CCNCCS 902f9c9631e817d5cba87698e69fda34 [0,0,0,0,0,0|1,1,2]=4 102 B7R0.1 CC#CCOCC#N 69770495b4338e45aa17e7474dddd820 [0,0,0,0,0,0|1,0,3]=4 103 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,0,0,0,0,0|0,0,4]=4 104 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,0,0,0,0,0|1,0,2]=3 105 B7R0.1 CC#CCOCCF 740691fb43c87d7c36d122faabbd0af1 [0,0,0,0,0,0|1,0,2]=3 106 B7R0.1 CC#CCOCCS d741f417902af4e709d92de885608290 [0,0,0,0,0,0|0,1,2]=3 107 B7R0.1 CC#CCOCOC fdc903f30b2a7cefcf2b0a9cb74d111f [0,0,0,0,0,0|2,0,2]=4 108 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [0,0,0,0,0,0|2,0,2]=4 109 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,0,0,0,0,0|3,0,1]=4 111 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,0,0,0,0,0|2,0,2]=4 112 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,0,0,0,0,0|2,0,2]=4 113 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,0,0,0,0,0|1,0,2]=3 114 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,0,0,0,0,0|1,1,2]=4 115 B7R0.1 CC=CCOCC#N c36b7236760a4c91ea49520f8b3c7479 [0,0,0,0,0,0|1,0,3]=4 116 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,0,0,0,0,0|0,0,4]=4 117 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,0,0,0,0,0|1,0,2]=3 118 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,0,0,0,0,0|1,0,2]=3 119 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,0,0,0,0,0|0,1,2]=3 120 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,0,0,0,0,0|2,0,2]=4 122 B7R0.1 CCC#CCOCC 2380cee045d437f419c16dee1b838b64 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,0,0,0,0,0|2,0,2]=4 125 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,0,0,0,0,0|3,0,0]=3 126 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,0,0,0,0,0|3,0,0]=3 127 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,0,0,0,0,0|3,0,0]=3 129 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,0,0,0,0,0|3,0,0]=3 130 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,0,0,0,0,0|1,0,2]=3 132 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,0,0,0,0,0|2,0,0]=2 133 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,0,0,0,0,0|2,0,0]=2 136 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,0,0,0,0,0|1,0,0]=1 137 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,0,0,0,0,0|1,1,0]=2 138 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,0,0,0,0,0|3,0,0]=3 139 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,0,0,0,0,0|3,0,0]=3 140 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,0,0,0,0,0|1,0,1]=2 141 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,0,0,0,0,0|0,0,2]=2 142 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,0,0,0,0,0|1,0,0]=1 143 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,0,0,0,0,0|1,0,0]=1 144 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,0,0,0,0,0|0,1,0]=1 145 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,0,0,0,0,0|2,0,0]=2 146 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,0,0,0,0,0|2,0,0]=2 147 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,0,0,0,0|2,0,2]=4 148 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,0,0,0,0,0|2,0,2]=4 150 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,0,0,0,0,0|3,0,0]=3 151 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,0,0,0,0,0|3,0,0]=3 152 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,0,0,0,0,0|2,0,0]=2 153 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,0,0,0,0,0|2,1,0]=3 154 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,0,0,0,0,0|3,0,0]=3 155 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,0,0,0,0,0|4,0,0]=4 156 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,0,0,0,0,0|3,0,0]=3 158 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,0,0,0,0,0|2,0,2]=4 159 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,0,0,0,0,0|2,0,2]=4 160 B7R0.1 CCCOCC#CI b3fbe418429aadfd38d92dd1bfb760b4 [0,0,0,0,0,0|2,0,2]=4 161 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,0,0,0,0,0|2,0,2]=4 162 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,0,0,0,0,0|2,0,1]=3 163 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,0,0,0,0,0|2,0,0]=2 165 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,0,0,0,0,0|2,0,0]=2 166 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,0,0,0,0,0|2,0,0]=2 167 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,0,0,0,0,0|2,0,0]=2 168 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,0,0,0,0,0|2,0,0]=2 169 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.1 CCNCC#CCO 2a230a707d45398877d952a6edd37a82 [0,0,0,0,0,0|2,0,1]=3 171 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,0,0,0,0,0|3,0,0]=3 173 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,0,0,0,0,0|2,0,0]=2 174 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,0,0,0,0,0|2,1,0]=3 175 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,0,0,0,0,0|4,0,0]=4 176 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,0,0,0,0,0|4,0,0]=4 177 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,0,0,0,0,0|4,0,0]=4 178 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,0,0,0,0,0|4,0,0]=4 179 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,0,0,0,0,0|3,0,1]=4 180 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|2,0,2]=4 181 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,0,0,0,0,0|3,0,0]=3 182 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,0,0,0,0,0|2,1,0]=3 183 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,0,0,0,0,0|4,0,0]=4 184 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,0,0,0,0,0|4,0,0]=4 185 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,0,0,0,0,0|4,0,0]=4 186 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,0,0,0,0,0|4,0,0]=4 188 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,0,0,0,0,0|4,0,0]=4 189 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,0,0,0,0,0|4,0,0]=4 190 B7R0.1 CCOCNCC#N 9018c9c6715e14ea9bdce32253585916 [0,0,0,0,0,0|3,0,1]=4 191 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,0,0,0,0,0|3,0,0]=3 192 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,0,0,0,0,0|3,0,0]=3 193 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,0,0,0,0,0|3,0,0]=3 194 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,0,0,0,0,0|2,0,0]=2 195 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,0,0,0,0,0|2,1,0]=3 196 B7R0.1 CCOCOCC#N 4fd83c3b911d632bd32bce6b5617b133 [0,0,0,0,0,0|2,0,1]=3 197 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,0,0,0,0,0|1,1,0]=2 198 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,0,0,0,0,0|3,0,0]=3 199 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,0,0,0,0,0|4,0,0]=4 200 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,0,0,0,0,0|3,0,0]=3 201 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,0,0,0,0,0|4,0,0]=4 202 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,0,0,0,0,0|4,0,0]=4 203 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,0,0,0,0,0|3,0,0]=3 204 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,0,0,0,0,0|4,0,0]=4 205 B7R0.1 COCCNCC#N eb0c03abb6091d3cacb87bad68b043b8 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,0,0,0,0,0|2,0,2]=4 207 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,0,0,0,0,0|3,0,0]=3 208 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,0,0,0,0,0|3,0,0]=3 209 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,0,0,0,0,0|3,0,0]=3 210 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,0,0,0,0,0|2,0,0]=2 211 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,0,0,0,0,0|2,1,0]=3 212 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,0,0,0,0,0|4,0,0]=4 213 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,0,0,0,0,0|4,0,0]=4 214 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,0,0,0,0,0|2,0,1]=3 215 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,0,0,0,0,0|1,0,2]=3 216 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,0,0,0,0,0|2,0,0]=2 217 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,0,0,0,0,0|1,1,0]=2 218 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,0,0,0,0,0|3,0,0]=3 219 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,0,0,0,0,0|3,0,0]=3 220 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,0,0,0,0,0|4,0,0]=4 221 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,0,0,0,0,0|3,0,0]=3 222 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,0,0,0,0,0|4,0,0]=4 223 B7R0.1 COCOCCC#N 27e16b974b5a8cc8e6db8589fb85ef21 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,0,0,0,0,0|3,0,0]=3 226 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,0,0,0,0,0|3,0,0]=3 227 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,0,0,0,0,0|3,0,0]=3 228 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,0,0,0,0,0|4,0,0]=4 229 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,0,0,0,0,0|3,0,0]=3 230 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,0,0,0,0,0|4,0,0]=4 231 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,0,0,0,0,0|3,0,1]=4 232 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,0,0,0,0,0|2,0,2]=4 233 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,0,0,0,0,0|3,0,0]=3 234 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,0,0,0,0,0|3,0,0]=3 235 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,0,0,0,0,0|3,0,0]=3 236 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,0,0,0,0,0|2,0,0]=2 237 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,0,0,0,0,0|2,1,0]=3 238 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,0,0,0,0,0|2,0,1]=3 240 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,0,0,0,0,0|1,0,2]=3 241 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,0,0,0,0,0|2,0,0]=2 242 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,0,0,0,0,0|1,1,0]=2 243 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,0,0,0,0,0|3,0,0]=3 244 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,0,0,0,0,0|4,0,0]=4 245 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,0,0,0,0,0|3,0,0]=3 246 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,0,0,0,0,0|3,0,1]=4 247 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,0,0,0,0,0|3,0,1]=4 248 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,0,0,0,0,0|3,0,0]=3 249 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,0,0,0,0,0|3,0,0]=3 250 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,0,0,0,0,0|4,0,0]=4 251 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,0,0,0,0,0|3,0,0]=3 252 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,0,0,0,0,0|3,0,0]=3 253 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,0,0,0,0,0|3,0,0]=3 254 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,0,0,0,0,0|2,1,0]=3 255 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,0,0,0,0,0|2,0,0]=2 256 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,0,0,0,0,0|1,1,0]=2 257 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,0,0,0,0,0|3,0,0]=3 258 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,0,0,0,0,0|3,0,0]=3 259 B7R0.1 FCCOC/C=C/Cl dc97194a3b37f111390ae9c49092a7c4 [0,0,0,0,0,0|2,0,2]=4 260 B7R0.1 FCCOC/C=C\Cl 4bede6a33603c0090a93c5765bbe74a4 [0,0,0,0,0,0|2,0,2]=4 261 B7R0.1 FCCOCC#CI 072be9b3dd81c0cc1f6a0232f966054a [0,0,0,0,0,0|2,0,2]=4 262 B7R0.1 FCCOCC=CCl 92ca73e0aad22b80104a1e8aba43942a [0,0,0,0,0,0|2,0,2]=4 263 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,0,0,0,0,0|2,0,0]=2 264 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,0,0,0,0,0|4,0,0]=4 265 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,0,0,0,0,0|3,1,0]=4 266 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,0,0,0,0,0|3,1,0]=4 267 B7R0.1 N#CCCCNCO 5c0d2266f0898fe9160186844f3620ff [0,0,0,0,0,0|3,0,1]=4 268 B7R0.1 N#CCCNCCBr 766e1679a78d579ddb7bc856cb5a929d [0,0,0,0,0,0|3,0,1]=4 269 B7R0.1 N#CCCNCCF bc7b3dfb7edae9ab7c7366b4782defc9 [0,0,0,0,0,0|3,0,1]=4 270 B7R0.1 N#CCCNCCI 0d66de89ca12501e3829bfb29e984d68 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.1 N#CCCNCCO 1637f5afa2121e3ef5b132c03408ea0f [0,0,0,0,0,0|2,0,1]=3 272 B7R0.1 N#CCCNCCS 4e7ddebfb5f62ddd7b7f24b7ab183b45 [0,0,0,0,0,0|2,1,1]=4 273 B7R0.1 N#CCCOCC#N e8b8bf5fce5d8ea91bd2f21d0f8e96d8 [0,0,0,0,0,0|2,0,2]=4 274 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,0,0,0,0,0|1,0,3]=4 275 B7R0.1 N#CCCOCCF c2245ac04b4ed21d4611d8407215019c [0,0,0,0,0,0|2,0,1]=3 276 B7R0.1 N#CCCOCCS 5da7e76cd18cac10a7d2e2086ebead76 [0,0,0,0,0,0|1,1,1]=3 277 B7R0.1 N#CCNCCCCl 32c8ddf5121a62d37792f26f283a5412 [0,0,0,0,0,0|3,0,1]=4 278 B7R0.1 N#CCNCCCF e866cd5c080968efadf88b59dc1a8a68 [0,0,0,0,0,0|3,0,1]=4 279 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,0,0,0,0,0|3,0,1]=4 280 B7R0.1 N#CCNCCCS abeed03b2458f68a81ef6d1caa8a7822 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,0,0,0,0,0|2,0,2]=4 282 B7R0.1 N#CCOCCCF 0987b6cf0dc97782d95acca8f31d2cc8 [0,0,0,0,0,0|2,0,1]=3 283 B7R0.1 N#CCOCCCS 3c2defd9fab2628e3af6d6b3cfddb262 [0,0,0,0,0,0|2,0,1]=3 284 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,0,0,0,0,0|3,0,1]=4 285 B7R0.1 N#CSCNCCO b95d82e4e133cdda33fed131bb7848cc [0,0,0,0,0,0|3,0,1]=4 286 B7R0.1 N#CSCOCCS 3f9597c7627792bcf069de1941f8503e [0,0,0,0,0,0|2,1,1]=4 287 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,0,0,0,0,0|4,0,0]=4 288 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,0,0,0,0,0|3,0,0]=3 289 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,0,0,0,0,0|3,1,0]=4 290 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,0,0,0,0,0|2,0,2]=4 291 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,0,0,0,0,0|3,0,1]=4 292 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,0,0,0,0,0|3,0,1]=4 293 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,0,0,0,0,0|3,0,1]=4 294 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,0,0,0,0,0|2,0,1]=3 295 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,0,0,0,0,0|2,1,1]=4 296 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,0,0,0,0,0|1,0,3]=4 297 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,0,0,0,0,0|2,0,1]=3 298 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,0,0,0,0,0|1,1,1]=3 299 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,0,0,0,0,0|2,0,2]=4 300 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,0,0,0,0,0|2,0,2]=4 301 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,0,0,0,0,0|1,0,2]=3 302 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,0,0,0,0,0|1,0,2]=3 303 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,0,0,0,0,0|3,0,1]=4 304 B7R0.1 OCC#CCNCF 9fb3443bbdb8ee3646af5fd610840a46 [0,0,0,0,0,0|3,0,1]=4 305 B7R0.1 OCC#CCNCO 38cf5d81a397c328b8b6b8c290d3dc06 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,0,0,0,0,0|3,0,0]=3 307 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,0,0,0,0,0|3,0,0]=3 308 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,0,0,0,0,0|3,0,0]=3 309 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,0,0,0,0,0|3,0,0]=3 310 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,0,0,0,0,0|3,0,0]=3 311 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,0,0,0,0,0|2,0,0]=2 312 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,0,0,0,0,0|2,1,0]=3 313 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,0,0,0,0,0|2,0,2]=4 314 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,0,0,0,0,0|2,0,2]=4 315 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,0,0,0,0,0|2,0,0]=2 316 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,0,0,0,0,0|2,0,0]=2 317 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,0,0,0,0,0|2,0,0]=2 318 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,0,0,0,0,0|3,0,0]=3 319 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,0,0,0,0,0|3,0,0]=3 320 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,0,0,0,0,0|3,0,0]=3 321 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,0,0,0,0,0|3,0,0]=3 322 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,0,0,0,0,0|2,1,0]=3 323 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,0,0,0,0,0|1,1,0]=2 324 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,0,0,0,0,0|2,1,0]=3 325 B7R0.1 SCCOC/C=C/Cl 2290f8b86457030238798819e28c69e8 [0,0,0,0,0,0|1,1,2]=4 326 B7R0.1 SCCOC/C=C\Cl a4e7cdee69690eb63831ad52adb243f6 [0,0,0,0,0,0|1,1,2]=4 327 B7R0.1 SCCOCC#CI c8c3346566ba9bf1d1d81365704ca729 [0,0,0,0,0,0|1,1,2]=4 328 B7R0.1 SCCOCC=CCl 7bef249009c91ae7b2a1a8047a4ea984 [0,0,0,0,0,0|1,1,2]=4 329 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [1,0,0,0,0,0|1,0,2]=4 330 B6R0.6 C#CCCNCO f58b07d7d9bd44c0ad51ba7b834634f8 [1,0,0,0,0,0|1,0,2]=4 331 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,0,0,0,0|0,0,2]=3 332 B6R0.6 C#CCCOCF e5402a79d25f6b3b1ad2455faba59ce3 [1,0,0,0,0,0|1,0,2]=4 333 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.6 C#CCNCCO 124dd796c248fbe494ff9cd7edce009d [1,0,0,0,0,0|1,0,2]=4 335 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,0,0,0,0,0|1,0,1]=3 336 B6R0.6 C#CCOCCF c62af05f9a9be4d9caeeb1a076d989b5 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.6 C#CCOCCS cdf5f7a6749fed2dbb996236fcf00c58 [1,0,0,0,0,0|0,1,2]=4 338 B6R0.6 C#CCOCOC 8c9553a6f766e25bc5c8f801bbc89cc1 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|0,0,2]=3 341 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|0,0,2]=3 343 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,0,0,0,0,0|1,0,2]=4 344 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|1,0,2]=4 345 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|1,0,2]=4 346 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|0,0,2]=3 347 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,0,0,0,0,0|1,0,2]=4 348 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|1,0,2]=4 350 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|1,0,1]=3 351 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,0,0,0,0,0|1,0,2]=4 352 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,0,0,0,0|0,1,2]=4 353 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [1,0,0,0,0,0|1,0,2]=4 355 B6R0.6 CC#CCNCO 34948e879985eaf79856b03117770558 [1,0,0,0,0,0|1,0,2]=4 356 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [1,0,0,0,0,0|0,0,2]=3 357 B6R0.6 CC#CCOCF 48d683a32721d3bca47297be0791e472 [1,0,0,0,0,0|1,0,2]=4 358 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|1,0,2]=4 359 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,0,0,0,0,0|1,0,2]=4 360 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|0,0,2]=3 361 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,0,0,0,0,0|1,0,2]=4 362 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [1,0,0,0,0,0|2,0,1]=4 363 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|1,0,2]=4 364 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|1,0,0]=2 365 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|2,0,0]=3 366 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|1,0,0]=2 367 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|0,0,0]=1 368 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|1,0,0]=2 369 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,0,0,0,0|1,0,2]=4 371 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|2,0,0]=3 372 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|2,0,0]=3 375 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|1,0,0]=2 376 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|1,1,0]=3 377 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|3,0,0]=4 378 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|3,0,0]=4 379 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,0,0,0,0,0|1,0,1]=3 380 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,0,0,0,0|0,0,2]=3 381 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|1,0,0]=2 382 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|1,0,0]=2 383 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|0,1,0]=2 384 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|2,0,0]=3 385 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|2,0,0]=3 386 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|2,0,0]=3 388 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|1,0,0]=2 389 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|2,0,0]=3 390 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,0,0,0,0,0|3,0,0]=4 391 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|2,0,0]=3 392 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|1,0,2]=4 393 B6R0.6 CCOCC#CI c5125846087d34184525bc1c772ba69a [1,0,0,0,0,0|1,0,2]=4 394 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|1,0,2]=4 395 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|1,0,1]=3 396 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|1,0,1]=3 397 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|1,0,0]=2 398 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|1,0,0]=2 399 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|1,0,0]=2 400 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|1,0,0]=2 401 B6R0.6 CCOCNC#N 78dbc831fd4cf862818c3ec7bd4116c9 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [1,0,0,0,0,0|3,0,0]=4 403 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,0,0,0,0,0|2,0,0]=3 404 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,0,0,0,0,0|2,0,0]=3 405 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [1,0,0,0,0,0|3,0,0]=4 406 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [1,0,0,0,0,0|3,0,0]=4 408 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,0,0,0,0,0|2,0,0]=3 409 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [1,0,0,0,0,0|2,1,0]=4 410 B6R0.6 COCOCC#N 764be25d1fe6d7509c53a5289ba9b4c6 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,0,0,0,0|1,0,2]=4 412 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [1,0,0,0,0,0|2,0,0]=3 413 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [1,0,0,0,0,0|1,1,0]=3 414 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [1,0,0,0,0,0|3,0,0]=4 415 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,0,0,0,0,0|3,0,0]=4 416 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [1,0,0,0,0,0|3,0,0]=4 417 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,0,0,0,0,0|2,0,0]=3 418 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,0,0,0,0,0|2,0,0]=3 419 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [1,0,0,0,0,0|3,0,0]=4 420 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [1,0,0,0,0,0|3,0,0]=4 421 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [1,0,0,0,0,0|3,0,0]=4 422 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,0,0,0,0,0|2,0,0]=3 423 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [1,0,0,0,0,0|2,1,0]=4 424 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [1,0,0,0,0,0|2,0,0]=3 426 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [1,0,0,0,0,0|1,1,0]=3 427 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [1,0,0,0,0,0|3,0,0]=4 429 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [1,0,0,0,0,0|3,0,0]=4 430 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [1,0,0,0,0,0|3,0,0]=4 431 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [1,0,0,0,0,0|2,1,0]=4 432 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [1,0,0,0,0,0|2,0,0]=3 433 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [1,0,0,0,0,0|1,1,0]=3 434 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [1,0,0,0,0,0|3,0,0]=4 435 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,0,0,0,0,0|2,0,0]=3 436 B6R0.6 N#CCCNCO f13d0ed253562d12e073016f87b36d51 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.6 N#CCCOCF ad9f2d4c11e9f2620e210c80fa91c9b0 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.6 N#CCNCCO 02ac8da78bc91b463ae8a1a8af800d30 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.6 N#CCOCCF a1053cc79ef9f30ddeb27ec16b94a5ba [1,0,0,0,0,0|2,0,1]=4 440 B6R0.6 N#CCOCCS 0fd93ad5ad6ac5ec81f01766264bbfba [1,0,0,0,0,0|1,1,1]=4 441 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.6 NOCCNCO 0cc9440611ac9dd9d9295e962a3dd39a [1,0,0,0,0,0|3,0,0]=4 443 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,0,0,0,0|2,0,1]=4 445 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,0,0,0,0|1,0,2]=4 446 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,0,0,0,0|1,0,2]=4 447 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,0,0,0,0|2,0,1]=4 448 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [1,0,0,0,0,0|2,0,0]=3 449 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [1,0,0,0,0,0|2,0,0]=3 450 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,0,0,0,0,0|2,0,0]=3 451 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,0,0,0,0,0|2,0,0]=3 452 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,0,0,0,0,0|2,0,0]=3 453 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,0,0,0,0,0|2,0,0]=3 454 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,0,0,0,0|2,0,0]=3 455 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [1,0,0,0,0,0|2,0,0]=3 456 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [1,0,0,0,0,0|2,1,0]=4 457 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [1,0,0,0,0,0|2,1,0]=4 458 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [1,0,0,0,0,0|2,1,0]=4 459 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [1,0,0,0,0,0|1,1,0]=3 460 B8R0.1 C#CCC(C)OCCC 726b29ef337798823059b3efca55fe70 [0,1,0,0,0,0|1,0,2]=4 461 B8R0.1 C#CCC(C)OCCF 1ab7d059b39e08a484ad1837b7116aad [0,1,0,0,0,0|1,0,2]=4 462 B8R0.1 C#CCC(C)OCCS 6d00ace3c2a736d579275f0bd36847ad [0,1,0,0,0,0|0,1,2]=4 463 B8R0.1 C#CCCN(C)CCO d38ec686e5dff8e1d1cf71f95d251c7f [0,1,0,0,0,0|1,0,2]=4 464 B8R0.1 C#CCN(C)CCCC de56360222bc19dd6ae6e2cbd1d04e4c [0,1,0,0,0,0|2,0,1]=4 465 B8R0.1 C#CCNC(C)CCC 904a95c2d539aee151943a21e058e5d4 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.1 C#CCN[C@@H](C)CCC 3830c22a3d09976b992f49636d5b1dfd [0,1,0,0,0,0|2,0,1]=4 467 B8R0.1 C#CCOC(=S)CCC 666ad0aff10dc8dec2740f151b5514b6 [0,1,0,0,0,0|1,0,2]=4 468 B8R0.1 C#CCOC(C)CCC 292a9da26dd6fef6b77c2dfe0aefdcd5 [0,1,0,0,0,0|1,0,1]=3 469 B8R0.1 C#CCOC(C)COC e10ca3aaf1a72a27f0b82fbb3ac4b627 [0,1,0,0,0,0|2,0,1]=4 470 B8R0.1 C#CCOC(C)CSC 2203e778a2c3e1c34211373f1ff4006d [0,1,0,0,0,0|2,0,1]=4 471 B8R0.1 C#CCO[C@@H](C)CCC 59461e1b1d7a142b510d19a0b98bf0f8 [0,1,0,0,0,0|1,0,1]=3 472 B8R0.1 C#CCO[C@@H](C)COC 21873063c25e7985aca76e08085d2c41 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.1 C#CCO[C@H](C)CCC 2bb84b902e1ccc7a64fd1f85c25c42f1 [0,1,0,0,0,0|1,0,1]=3 474 B8R0.1 C#CCO[C@H](C)COC 529165132f83157b9dc5f0ebccc43607 [0,1,0,0,0,0|2,0,1]=4 475 B8R0.1 C/C=C/C(C)OCCC 63733f028ee2622e94a5b800971df6ec [0,1,0,0,0,0|1,0,2]=4 476 B8R0.1 C/C=C/C(C)OCCF c7f42edd3c181e39c4262c0cf6c522fc [0,1,0,0,0,0|1,0,2]=4 477 B8R0.1 C/C=C/C(C)OCCS ffa90dbc8d97398889c970ed403d64c7 [0,1,0,0,0,0|0,1,2]=4 478 B8R0.1 C/C=C/CN(C)CCO 42c3b6faec9960c36a879d013004e77f [0,1,0,0,0,0|1,0,2]=4 479 B8R0.1 C/C=C\CN(C)CCO fb53deedd56c2eb2eab09a348d1b1a65 [0,1,0,0,0,0|1,0,2]=4 480 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,1,0,0,0,0|1,0,2]=4 481 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,1,0,0,0,0|1,0,2]=4 482 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,1,0,0,0,0|0,1,2]=4 483 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [0,1,0,0,0,0|1,0,2]=4 484 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,1,0,0,0,0|2,0,1]=4 486 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,1,0,0,0,0|2,0,1]=4 487 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,1,0,0,0,0|1,0,2]=4 488 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,1,0,0,0,0|1,0,1]=3 489 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,1,0,0,0,0|2,0,1]=4 490 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,1,0,0,0,0|2,0,1]=4 491 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,1,0,0,0,0|1,0,1]=3 492 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,1,0,0,0,0|1,0,1]=3 494 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,1,0,0,0,0|1,0,2]=4 496 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,1,0,0,0,0|1,0,2]=4 497 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,1,0,0,0,0|0,1,2]=4 498 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,1,0,0,0,0|1,0,2]=4 499 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,1,0,0,0,0|1,0,2]=4 500 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,1,0,0,0,0|0,1,2]=4 501 B8R0.1 CC#CC(C)OCCC 113080c97d86d0cb0f205db23466d919 [0,1,0,0,0,0|1,0,2]=4 502 B8R0.1 CC#CC(C)OCCF d8bb2efded898497bb34e7f9ce3d05eb [0,1,0,0,0,0|1,0,2]=4 503 B8R0.1 CC#CC(C)OCCS b58687f3fb0bcc9589b280648c070520 [0,1,0,0,0,0|0,1,2]=4 504 B8R0.1 CC(CC#N)NCCO 9430fe99375abb92519cc8020b9f3d15 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.1 CC(CC#N)OCCF 242fe6a52f369bb10dd75b7367d22f85 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.1 CC(CC#N)OCCS 6ad4eb77ca72315e4d40e0a32521468a [0,1,0,0,0,0|1,1,1]=4 507 B8R0.1 CC(CCCO)NCF b241aebd82c44bc910db1b371b5b76bf [0,1,0,0,0,0|3,0,0]=4 508 B8R0.1 CC(CCCO)NCO 409c6d583f7d914d396566d61e0bf62f [0,1,0,0,0,0|3,0,0]=4 509 B8R0.1 CC(CCO)CNCF c3decab050bcf8b829d230dbfdc8cb9c [0,1,0,0,0,0|3,0,0]=4 510 B8R0.1 CC(CCO)CNCO 54a9f5ea99ff6dabd8f90f35e8fcdb0d [0,1,0,0,0,0|3,0,0]=4 511 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,1,0,0,0,0|2,0,0]=3 515 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,1,0,0,0,0|2,1,0]=4 516 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.1 CC=CC(C)OCCF ba6301f6f87e211fb33c607df00d8a0c [0,1,0,0,0,0|1,0,2]=4 518 B8R0.1 CC=CC(C)OCCS 02646f09bd8a02cbc22c0c81965c173c [0,1,0,0,0,0|0,1,2]=4 519 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,1,0,0,0,0|2,0,1]=4 521 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,1,0,0,0,0|1,0,1]=3 523 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,1,0,0,0,0|1,1,1]=4 524 B8R0.1 CCCC(=S)OCC#N ff06a334ddac1bbecb7d6c22783d4308 [0,1,0,0,0,0|1,0,2]=4 525 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,1,0,0,0,0|0,0,3]=4 526 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,1,0,0,0,0|1,0,1]=3 527 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,1,0,0,0,0|0,1,1]=3 528 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,1,0,0,0,0|2,0,1]=4 530 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,0,0,0,0|3,0,0]=4 531 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,1,0,0,0,0|3,0,0]=4 532 B8R0.1 CCCC(C)NCC#N 922f6b6c54005aee290e90bbc567adb3 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,1,0,0,0,0|1,0,2]=4 534 B8R0.1 CCCC(C)NCCBr 753adf372612d932eb167d3c6c6a7373 [0,1,0,0,0,0|2,0,0]=3 535 B8R0.1 CCCC(C)NCCF 561290ca4cbab4d4179520d904990ead [0,1,0,0,0,0|2,0,0]=3 536 B8R0.1 CCCC(C)NCCI 853631fdd24c7675889f7c8342411ed2 [0,1,0,0,0,0|2,0,0]=3 537 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,1,0,0,0,0|1,0,0]=2 538 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,1,0,0,0,0|1,1,0]=3 539 B8R0.1 CCCC(C)NCOC 7593556ba3b3358786240e76b9dc1cde [0,1,0,0,0,0|3,0,0]=4 540 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,1,0,0,0,0|3,0,0]=4 541 B8R0.1 CCCC(C)OCC#N 4085f27291709d3acf54fc2da94130ba [0,1,0,0,0,0|1,0,1]=3 542 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,0,0,0,0|0,0,2]=3 543 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,1,0,0,0,0|1,0,0]=2 544 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,1,0,0,0,0|0,1,0]=2 545 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.1 CCCC(O)CNCF 9e922850e385a2cbcd148cdd0ed96f6f [0,1,0,0,0,0|3,0,0]=4 549 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,0,0,0,0|3,0,0]=4 551 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.1 CCCCN(C)CC#N dd5de4574dc2a46299d3de21d54f76a5 [0,1,0,0,0,0|2,0,1]=4 556 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,1,0,0,0,0|1,0,2]=4 557 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,1,0,0,0,0|2,0,0]=3 558 B8R0.1 CCCCN(C)CCF dea221ed9395f7cb1e71d7be0afd021b [0,1,0,0,0,0|2,0,0]=3 559 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,1,0,0,0,0|1,0,0]=2 560 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,1,0,0,0,0|1,1,0]=3 561 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,1,0,0,0,0|3,0,0]=4 563 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,1,0,0,0,0|2,0,0]=3 566 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,0,0,0,0|3,0,0]=4 568 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,0,0,0,0|3,0,0]=4 570 B8R0.1 CCCN(C)CCCF 59925d2d70ed2cd32e04f065de645944 [0,1,0,0,0,0|3,0,0]=4 571 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,1,0,0,0,0|2,0,0]=3 572 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,1,0,0,0,0|2,1,0]=4 573 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,1,0,0,0,0|3,0,0]=4 574 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,1,0,0,0,0|3,0,0]=4 575 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [0,1,0,0,0,0|3,0,0]=4 576 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,0,0,0,0|2,0,0]=3 579 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,1,0,0,0,0|2,1,0]=4 580 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,1,0,0,0,0|2,0,0]=3 582 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,1,0,0,0,0|3,0,0]=4 583 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,1,0,0,0,0|2,0,0]=3 585 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,1,0,0,0,0|2,0,0]=3 587 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,1,0,0,0,0|3,0,0]=4 588 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,0,0,0,0|1,0,1]=3 589 B8R0.1 CCCOC(C)CC#N 407318eac9e44ed191090c3a4ee1db31 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,0,0,0,0|1,0,0]=2 591 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.1 CCCO[C@@H](C)CC#N e1cc5f2702a0bdb4ec145d80cec246cf [0,1,0,0,0,0|2,0,1]=4 594 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,0,0,0,0|1,0,0]=2 595 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,1,0,0,0,0|2,0,0]=3 596 B8R0.1 CCCO[C@H](C)CC#N 92b4d59f363ebe9abc712b1a1f2a0233 [0,1,0,0,0,0|2,0,1]=4 597 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,0,0,0,0|1,0,0]=2 598 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,1,0,0,0,0|2,0,0]=3 599 B8R0.1 CCC[C@@H](C)OCC#N 6cfa39cf188e361c410ed92789c272b5 [0,1,0,0,0,0|1,0,1]=3 600 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,0,0,0,0|0,0,2]=3 601 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,1,0,0,0,0|1,0,0]=2 602 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,1,0,0,0,0|0,1,0]=2 603 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,1,0,0,0,0|2,0,0]=3 604 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,1,0,0,0,0|2,0,0]=3 605 B8R0.1 CCC[C@H](C)NCC#N f729fd78de4d2dbac625f813b0bf3743 [0,1,0,0,0,0|2,0,1]=4 606 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,1,0,0,0,0|1,0,2]=4 607 B8R0.1 CCC[C@H](C)NCCF ad34b2e1bc15d73c299f2f9233e9fc6d [0,1,0,0,0,0|2,0,0]=3 608 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,1,0,0,0,0|1,0,0]=2 609 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,1,0,0,0,0|1,1,0]=3 610 B8R0.1 CCC[C@H](C)NCOC e6035597a8eb8fe082f6fe480c7fc30b [0,1,0,0,0,0|3,0,0]=4 611 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.1 CCC[C@H](C)OCC#N a65ccb7a75a6f63c6043f7514ae51a4c [0,1,0,0,0,0|1,0,1]=3 613 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,0,0,0,0|0,0,2]=3 614 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,1,0,0,0,0|1,0,0]=2 615 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,1,0,0,0,0|0,1,0]=2 616 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,1,0,0,0,0|2,0,0]=3 617 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,1,0,0,0,0|2,0,0]=3 618 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,1,0,0,0,0|2,0,0]=3 620 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,1,0,0,0,0|2,0,0]=3 621 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,1,0,0,0,0|3,0,0]=4 622 B8R0.1 CCOCN(C)CCF 15f09a6694334e8fa617a47fe167018e [0,1,0,0,0,0|3,0,0]=4 623 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,1,0,0,0,0|2,0,0]=3 624 B8R0.1 CN(CCF)CCCF d6f4e5eae95ae04853089c876cfe8376 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.1 CN(CCF)CCCO 405cb1812406dc732acbd5ca2bf8d85c [0,1,0,0,0,0|3,0,0]=4 626 B8R0.1 CN(CCF)CCCS 1ee1f733e33e2caa9e2de614f767ac2c [0,1,0,0,0,0|3,0,0]=4 627 B8R0.1 CN(CCO)CCC#N 754707f265676c2444acffa7118e0084 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,1,0,0,0,0|2,0,1]=4 629 B8R0.1 CN(CCO)CCCF 65d67af691e399f2e636a5d6ace9b963 [0,1,0,0,0,0|2,0,0]=3 630 B8R0.1 CN(CCO)CCCO 36d713c03dc08766341246f14e07bda2 [0,1,0,0,0,0|2,0,0]=3 631 B8R0.1 CN(CCO)CCCS cd935c5917603f4566a0a99c54ed3ddc [0,1,0,0,0,0|2,0,0]=3 632 B8R0.1 CN(CCO)CCON 874878a8bbc253fff48e199d7410c1e4 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,1,0,0,0,0|2,1,0]=4 634 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,0,0,0,0|2,0,1]=4 635 B8R0.1 COCC(C)NCCBr 7e7899007a79744e746e34b0e88edf2b [0,1,0,0,0,0|3,0,0]=4 636 B8R0.1 COCC(C)NCCF 557cdfba1af62f98bed1b41c8dc60606 [0,1,0,0,0,0|3,0,0]=4 637 B8R0.1 COCC(C)NCCI d72e8ee75c83d066d0a0f78aee871581 [0,1,0,0,0,0|3,0,0]=4 638 B8R0.1 COCC(C)NCCO 50121ba26215b782d2891c1068ffac80 [0,1,0,0,0,0|2,0,0]=3 639 B8R0.1 COCC(C)NCCS 0c48b5ac3fb6b83a7c07cb573cbf905d [0,1,0,0,0,0|2,1,0]=4 640 B8R0.1 COCC(C)OCC#N b85475f5f7d44baf3515d42e78c346ea [0,1,0,0,0,0|2,0,1]=4 641 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,1,0,0,0,0|1,0,2]=4 642 B8R0.1 COCC(C)OCCF 4d25fe5841fbbc0958bbed68d66d45cd [0,1,0,0,0,0|2,0,0]=3 643 B8R0.1 COCC(C)OCCS dc09b0fb0753a53299a8d871512bc6a2 [0,1,0,0,0,0|1,1,0]=3 644 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,1,0,0,0,0|3,0,0]=4 645 B8R0.1 COCC(O)CNCO e2f3cdf26236b8274acc1874eb0ec186 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.1 COCCN(C)CCF 134bac4413d89851de3a0eb8339bb0d3 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.1 COCCN(C)CCO 26130ceb4ad7565e446b20c581648752 [0,1,0,0,0,0|2,0,0]=3 648 B8R0.1 COCCN(C)CCS 83f03283cbacd33730b90834828ac225 [0,1,0,0,0,0|2,1,0]=4 649 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,1,0,0,0,0|3,0,0]=4 651 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,1,0,0,0,0|3,0,0]=4 652 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.1 COCOC(C)COC 7dd669d6ea2494b3523f618492ce68f2 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.1 COCOC(C)CSC 67f2cecd3f83eeb485abb23e4115d530 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.1 COCO[C@@H](C)COC 8b24e85ea2d85b99e5e5d22ec5bd1a47 [0,1,0,0,0,0|3,0,0]=4 656 B8R0.1 COCO[C@H](C)COC 3aa38d1467a3f8a477b83b1e15d1f395 [0,1,0,0,0,0|3,0,0]=4 657 B8R0.1 COC[C@@H](C)NCCF 42cfad7510b920e2cbb6795ba35d53ec [0,1,0,0,0,0|3,0,0]=4 658 B8R0.1 COC[C@@H](C)NCCO b9e85493d099197a11d2edf7d0650981 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.1 COC[C@@H](C)NCCS c1a0ef2c1db0eafdfbae83e6b2ab6150 [0,1,0,0,0,0|2,1,0]=4 660 B8R0.1 COC[C@@H](C)OCC#N 4ced25e04c8d00410e46d87b492058a7 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,1,0,0,0,0|1,0,2]=4 662 B8R0.1 COC[C@@H](C)OCCF c6f35b3504e96433ddf50584161123c4 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.1 COC[C@@H](C)OCCS 97c93538d74314c75d1f95b22f9ee5ea [0,1,0,0,0,0|1,1,0]=3 664 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.1 COC[C@@H](O)CNCO 326134c725e2877382224239fb68963f [0,1,0,0,0,0|3,0,0]=4 666 B8R0.1 COC[C@H](C)NCCF 557ce4da8f4fb038d07789d43c01e324 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.1 COC[C@H](C)NCCO d2e33cba22598bc0a84da0258db0aed7 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.1 COC[C@H](C)NCCS 7dadc5772c9df6151c25bf104059e3fe [0,1,0,0,0,0|2,1,0]=4 669 B8R0.1 COC[C@H](C)OCC#N 7afc5eaf62084b9e764ec71eea8850d5 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,1,0,0,0,0|1,0,2]=4 671 B8R0.1 COC[C@H](C)OCCF 5868f63f2ae9b3c9cc835061e035dd23 [0,1,0,0,0,0|2,0,0]=3 672 B8R0.1 COC[C@H](C)OCCS 7322d1c93dd5ab6f4b1a0e283db4fa99 [0,1,0,0,0,0|1,1,0]=3 673 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,1,0,0,0,0|2,0,1]=4 675 B8R0.1 CSCC(C)OCC#N 887eca56e5116979b16e1d6b269ff8e6 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,1,0,0,0,0|1,0,2]=4 677 B8R0.1 CSCC(C)OCCF a09a905ddb581f9ec7a4a8fc9c3b330c [0,1,0,0,0,0|2,0,0]=3 678 B8R0.1 CSCC(C)OCCS 87c78ed89e5ba05b837584ab98110c8a [0,1,0,0,0,0|1,1,0]=3 679 B8R0.1 CSCCN(C)CCF 009b8e27e8e790d3ca2e81faf9ac0f0f [0,1,0,0,0,0|3,0,0]=4 680 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,1,0,0,0,0|2,0,0]=3 681 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,1,0,0,0,0|2,1,0]=4 682 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,1,0,0,0,0|3,0,0]=4 684 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,1,0,0,0,0|3,0,0]=4 685 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.1 CSCOC(C)CSC fd4788b9d6e38c9985f276fa19ca967e [0,1,0,0,0,0|3,0,0]=4 687 B8R0.1 C[C@@H](CC#N)OCCF 0239b81ca58fc8a011a7bc1cb3613e6f [0,1,0,0,0,0|2,0,1]=4 688 B8R0.1 C[C@@H](CC#N)OCCS 5a5df71265fa40812fd276d78ffdf4fa [0,1,0,0,0,0|1,1,1]=4 689 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,1,0,0,0,0|2,0,0]=3 691 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,1,0,0,0,0|2,1,0]=4 692 B8R0.1 C[C@H](CC#N)OCCF e42797d762f330da103576e291f96331 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.1 C[C@H](CC#N)OCCS 8ffa245ae21b76f007a2b9d8633ee0e9 [0,1,0,0,0,0|1,1,1]=4 694 B8R0.1 C[C@H](CCCO)NCF 739629949299962ce494801aa452596e [0,1,0,0,0,0|3,0,0]=4 695 B8R0.1 C[C@H](CCCO)NCO 344fc929e55b0072ca3709d4cee8b54f [0,1,0,0,0,0|3,0,0]=4 696 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,1,0,0,0,0|2,0,0]=3 698 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,1,0,0,0,0|2,1,0]=4 699 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,1,0,0,0,0|3,0,0]=4 701 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,1,0,0,0,0|3,0,0]=4 705 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.4 C#CCCCCNCO 713332b53916ce2116df67b917d68308 [0,1,0,0,0,0|1,0,2]=4 708 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.4 C#CCCCNCCBr f2af2d6274c87b2da8b78cf74c23a2c2 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [0,1,0,0,0,0|2,0,1]=4 711 B8R0.4 C#CCCCNCCF 353420c6bf23589b417ed5c3cae31e27 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.4 C#CCCCNCCI 1cf8a1cd03b37b4032b78b8450d40832 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.4 C#CCCCNCCO 749d8851342805764acc32afca683de9 [0,1,0,0,0,0|1,0,1]=3 714 B8R0.4 C#CCCCNCCS b19a8e13e34c874cb97e8453a9277ea7 [0,1,0,0,0,0|1,1,1]=4 715 B8R0.4 C#CCCCOCC#C 7aa8d522ee62588eaabcf9737a6fd7a4 [0,1,0,0,0,0|1,0,2]=4 716 B8R0.4 C#CCCCOCC#N 09b08ed5231e8909236f953f0df1b7c1 [0,1,0,0,0,0|1,0,2]=4 717 B8R0.4 C#CCCCOCC=C c39c47b680023e071738dee179943a8b [0,1,0,0,0,0|1,0,2]=4 718 B8R0.4 C#CCCCOCC=O 2bd65d8b9d5cba6b9cf170827e92955f [0,1,0,0,0,0|0,0,3]=4 719 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [0,1,0,0,0,0|1,0,1]=3 720 B8R0.4 C#CCCCOCCF 10d8dde60c1dcaf55cf37451c45f7a55 [0,1,0,0,0,0|1,0,1]=3 721 B8R0.4 C#CCCCOCCS 82123731fa65d90c2c556787eb967ee2 [0,1,0,0,0,0|0,1,1]=3 722 B8R0.4 C#CCCCOCOC 396f346cd0a5757504fe3ce81de20dd4 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [0,1,0,0,0,0|2,0,0]=3 725 B8R0.4 C#CCCNCCCCl 6450cc1c6d43bfbf75bed081767d4d88 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.4 C#CCCNCCCF 25fb8234442dd9dba26d8860b530373e [0,1,0,0,0,0|3,0,0]=4 727 B8R0.4 C#CCCNCCCO 74bbabadd82ed586e64e71b666d35898 [0,1,0,0,0,0|1,0,2]=4 728 B8R0.4 C#CCCNCCCS 6a544d20c8b3dcf2a969bb15e83782f2 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.4 C#CCCNCCOC 08e62ace3404cee3ceba4678d3bff0ce [0,1,0,0,0,0|1,0,2]=4 730 B8R0.4 C#CCCNCCON e4a2963c3729b7804b0d98ecba8018dc [0,1,0,0,0,0|1,0,2]=4 731 B8R0.4 C#CCCNCCSC 0ffb0f65d63792827dae550b83359c51 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.4 C#CCCNCOCC 460d48a83ce91273f9bdb69ff25650ff [0,1,0,0,0,0|3,0,0]=4 733 B8R0.4 C#CCCOC/C=C/C e400979fcd6a60322b6f0ffdf55978bd [0,1,0,0,0,0|1,0,2]=4 734 B8R0.4 C#CCCOC/C=C\C ea0bdfd7d34ea2e99b0a123ed8ecd2cd [0,1,0,0,0,0|1,0,2]=4 735 B8R0.4 C#CCCOCC#CC df43c71a401e67ad0982b55ed29de3e8 [0,1,0,0,0,0|1,0,2]=4 736 B8R0.4 C#CCCOCC=CC b896ef8c018947debea9791ad3b49785 [0,1,0,0,0,0|1,0,2]=4 737 B8R0.4 C#CCCOCCC#C 3e17bd7afb816e798e1cb8b6b7739e50 [0,1,0,0,0,0|1,0,2]=4 738 B8R0.4 C#CCCOCCC#N b28d102fb8726961a1dfd33a8e9b2c10 [0,1,0,0,0,0|1,0,2]=4 739 B8R0.4 C#CCCOCCC=C 4c8b9c2c0d72c631a7974d3087fff62e [0,1,0,0,0,0|1,0,2]=4 740 B8R0.4 C#CCCOCCC=O 7ad6db0675809531b0be56beb69dc38e [0,1,0,0,0,0|0,0,3]=4 741 B8R0.4 C#CCCOCCCC 85c008a45b6353cea119cc5cda149ac2 [0,1,0,0,0,0|1,0,0]=2 742 B8R0.4 C#CCCOCCCF 64f2653c4d46aac9fc45491f36dff66d [0,1,0,0,0,0|2,0,0]=3 743 B8R0.4 C#CCCOCCCS af0bd4614486613386b889952c953877 [0,1,0,0,0,0|2,0,0]=3 744 B8R0.4 C#CCCOCCOC 919a96412a1e4c793962b40a0d4bf31c [0,1,0,0,0,0|0,0,2]=3 745 B8R0.4 C#CCCOCCSC 25dc589773d3fea7b865bb1dd21ccf91 [0,1,0,0,0,0|2,0,0]=3 746 B8R0.4 C#CCCOCOCC 8e084814a9b0f1acd11ad9efdba978dd [0,1,0,0,0,0|2,0,0]=3 747 B8R0.4 C#CCNCCCCC 6449ee4961bcec0a8b702070fb728670 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.4 C#CCNCCCCCl 1867391de6a5cc12e424dfa7fc80d769 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.4 C#CCNCCCCF 8d110c0b63d8cfee55435be016f2978a [0,1,0,0,0,0|2,0,1]=4 750 B8R0.4 C#CCNCCCCO d42948e5f929eb2d4664076420e784e7 [0,1,0,0,0,0|1,0,2]=4 751 B8R0.4 C#CCNCCCCS e344ac9edb6704accea8693b87a436bf [0,1,0,0,0,0|2,0,1]=4 752 B8R0.4 C#CCNCCCOC ca16b081835a976ee67cb17341561d04 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.4 C#CCNCCCSC 2b3cc08e7dbd0ca3e268d49f603a07e3 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.4 C#CCNCCOCC da758c3e7c046b8ecbe96c01a9a076b5 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.4 C#CCNCCSCC 40d98a57cb45f0e17ec5887c9f82cb7c [0,1,0,0,0,0|2,0,1]=4 756 B8R0.4 C#CCOC/C=C/CC 752a2e489daedd119549118eaee08738 [0,1,0,0,0,0|1,0,2]=4 757 B8R0.4 C#CCOC/C=C\CC 6f0fabfcf344804e4bf66fe21c15bf06 [0,1,0,0,0,0|1,0,2]=4 758 B8R0.4 C#CCOCC#CCC 262a560cd50f4bd77f6f98d87ccdf40f [0,1,0,0,0,0|1,0,2]=4 759 B8R0.4 C#CCOCC/C=C/C 73397b8074d714eef23f3b2f78c38c1d [0,1,0,0,0,0|1,0,2]=4 760 B8R0.4 C#CCOCCC#CC 11014e08a1726f7a1b9a4be1ff9d6722 [0,1,0,0,0,0|1,0,2]=4 761 B8R0.4 C#CCOCCCC#N 86470e8e90362c76b280859fdd9bd12d [0,1,0,0,0,0|1,0,2]=4 762 B8R0.4 C#CCOCCCC=C 556d0cf131aedf00ec9b50a54ed64d0e [0,1,0,0,0,0|1,0,2]=4 763 B8R0.4 C#CCOCCCC=O b1ce2abc243e0e37befceddf354af1b6 [0,1,0,0,0,0|1,0,2]=4 764 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [0,1,0,0,0,0|1,0,1]=3 765 B8R0.4 C#CCOCCCCF d625dd293087f9d297711b05eb7cb7f1 [0,1,0,0,0,0|1,0,1]=3 766 B8R0.4 C#CCOCCCCS 08ffc40040f2b4e6c271a58c4d52d007 [0,1,0,0,0,0|1,0,1]=3 767 B8R0.4 C#CCOCCCOC 30a8118957e99c5f37b721ef3e72eebb [0,1,0,0,0,0|1,0,1]=3 768 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.4 C#CCOCCNCC 69dc12126588c17be59a3aa9b28487ba [0,1,0,0,0,0|1,0,1]=3 770 B8R0.4 C#CCOCCNCF 11a01e011fce20b432b86eb46f501426 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.4 C#CCOCCNCO c7c2e9b8b0748c7f411185387df08f81 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.4 C#CCOCCOCC 8b3aed694778a9f49bea51fbc8b8fa73 [0,1,0,0,0,0|1,0,1]=3 773 B8R0.4 C#CCOCCOCF c8371513674974dc45bf35a280396d2c [0,1,0,0,0,0|2,0,1]=4 774 B8R0.4 C#CCOCCSCC a29fc9ef5965efb64b51b39cd1c894a4 [0,1,0,0,0,0|1,0,1]=3 775 B8R0.4 C/C=C/CCOCC#N a32ffb362c059192d0073a02949c9091 [0,1,0,0,0,0|1,0,2]=4 776 B8R0.4 C/C=C/CCOCC=O 5db978802355adcac3a83b93d1859621 [0,1,0,0,0,0|0,0,3]=4 777 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,1,0,0,0,0|1,0,1]=3 778 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [0,1,0,0,0,0|1,0,1]=3 779 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [0,1,0,0,0,0|0,1,1]=3 780 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,1,0,0,0,0|2,0,1]=4 782 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,1,0,0,0,0|1,0,2]=4 784 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,1,0,0,0,0|1,0,2]=4 785 B8R0.4 C/C=C/CNCCON 79737eab41f3bc36cd4a5b8364278811 [0,1,0,0,0,0|1,0,2]=4 786 B8R0.4 C/C=C/COCCC#N fb473c5625d8528afb413f043fcce953 [0,1,0,0,0,0|1,0,2]=4 787 B8R0.4 C/C=C/COCCC=O a43ce373801c50acebabd363747860bf [0,1,0,0,0,0|0,0,3]=4 788 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,1,0,0,0,0|1,0,1]=3 789 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [0,1,0,0,0,0|1,0,2]=4 790 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [0,1,0,0,0,0|0,1,2]=4 791 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,1,0,0,0,0|0,0,2]=3 792 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,1,0,0,0,0|0,1,2]=4 793 B8R0.4 C/C=C/COCOCC 83fafc5a971bddf153afd7782635012a [0,1,0,0,0,0|1,0,2]=4 794 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,1,0,0,0,0|2,0,1]=4 795 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,1,0,0,0,0|1,0,2]=4 796 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,1,0,0,0,0|1,0,2]=4 797 B8R0.4 C/C=C\CNCCON 4fa0dc470c681851fa457e5a616dfedc [0,1,0,0,0,0|1,0,2]=4 798 B8R0.4 C/C=C\COCCC#N 54ac571648ed531dc56490d14fd571ad [0,1,0,0,0,0|1,0,2]=4 799 B8R0.4 C/C=C\COCCC=O c26106eb88bd1cd81d1af342374c2631 [0,1,0,0,0,0|0,0,3]=4 800 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,1,0,0,0,0|1,0,1]=3 801 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [0,1,0,0,0,0|1,0,2]=4 802 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [0,1,0,0,0,0|0,1,2]=4 803 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,1,0,0,0,0|0,0,2]=3 804 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,1,0,0,0,0|0,1,2]=4 805 B8R0.4 C/C=C\COCOCC 8821190837d805b84bead9ce40320be3 [0,1,0,0,0,0|1,0,2]=4 806 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [0,1,0,0,0,0|1,0,2]=4 807 B8R0.4 C=C=CCCOCCF f40e7017906a65586f65aa56e6d85ac0 [0,1,0,0,0,0|1,0,2]=4 808 B8R0.4 C=C=CCCOCCS 723ca99ff484a460d7bc5e5895255b76 [0,1,0,0,0,0|0,1,2]=4 809 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,1,0,0,0,0|1,0,2]=4 811 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,1,0,0,0,0|2,0,1]=4 812 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [0,1,0,0,0,0|2,0,1]=4 813 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [0,1,0,0,0,0|2,0,1]=4 815 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [0,1,0,0,0,0|2,0,1]=4 816 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,1,0,0,0,0|1,0,1]=3 817 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [0,1,0,0,0,0|1,1,1]=4 818 B8R0.4 C=CCCCOCC#N 36a4f055e6fa3409a40c78c0ef4cc152 [0,1,0,0,0,0|1,0,2]=4 819 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,1,0,0,0,0|0,0,3]=4 821 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,1,0,0,0,0|1,0,1]=3 822 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [0,1,0,0,0,0|1,0,1]=3 823 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [0,1,0,0,0,0|0,1,1]=3 824 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [0,1,0,0,0,0|2,0,1]=4 825 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,1,0,0,0,0|2,0,0]=3 827 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [0,1,0,0,0,0|3,0,0]=4 829 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,1,0,0,0,0|1,0,2]=4 830 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,1,0,0,0,0|1,0,2]=4 832 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [0,1,0,0,0,0|1,0,2]=4 833 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [0,1,0,0,0,0|1,0,2]=4 836 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [0,1,0,0,0,0|1,0,2]=4 837 B8R0.4 C=CCCOCC#CC 5f35d358b14517068ff00476952373eb [0,1,0,0,0,0|1,0,2]=4 838 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.4 C=CCCOCCC#N 2bfce7ca5ed408d1d77221a58b62d5a6 [0,1,0,0,0,0|1,0,2]=4 840 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [0,1,0,0,0,0|1,0,2]=4 841 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,1,0,0,0,0|0,0,3]=4 842 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,1,0,0,0,0|1,0,0]=2 843 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [0,1,0,0,0,0|2,0,0]=3 845 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,1,0,0,0,0|0,0,2]=3 846 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [0,1,0,0,0,0|2,0,1]=4 850 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,1,0,0,0,0|1,0,2]=4 851 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [0,1,0,0,0,0|2,0,1]=4 852 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [0,1,0,0,0,0|2,0,1]=4 856 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,1,0,0,0,0|1,0,2]=4 857 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,1,0,0,0,0|1,0,2]=4 858 B8R0.4 C=CCOCC#CCC e93830f1b81bde8f6a6e3c15b2a5f650 [0,1,0,0,0,0|1,0,2]=4 859 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [0,1,0,0,0,0|1,0,2]=4 860 B8R0.4 C=CCOCCC#CC 09a234cfc55c2d71abbdd65f3f1bffaf [0,1,0,0,0,0|1,0,2]=4 861 B8R0.4 C=CCOCCCC#N fbac1a9d5bf58d32ba9354cad3593c29 [0,1,0,0,0,0|1,0,2]=4 862 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,1,0,0,0,0|1,0,2]=4 863 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,1,0,0,0,0|1,0,1]=3 864 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [0,1,0,0,0,0|1,0,1]=3 865 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [0,1,0,0,0,0|1,0,1]=3 866 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [0,1,0,0,0,0|1,0,1]=3 867 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,1,0,0,0,0|1,0,1]=3 868 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [0,1,0,0,0,0|1,0,1]=3 869 B8R0.4 C=CCOCCOCF 06da768d0787925cdfed87b39ead52b1 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,1,0,0,0,0|1,0,1]=3 871 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [0,1,0,0,0,0|1,0,2]=4 872 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,1,0,0,0,0|1,0,2]=4 873 B8R0.4 C=COCCOCCF 2bb3cc79cd54325a3b4a658a60f2531e [0,1,0,0,0,0|1,0,2]=4 874 B8R0.4 C=COCCOCCS 1dc3bcdc2ff447de0c7aec1863e71212 [0,1,0,0,0,0|0,1,2]=4 875 B8R0.4 CC#CCCOCC#N 227f71ee25bc33295312b8f23c5d37b4 [0,1,0,0,0,0|1,0,2]=4 876 B8R0.4 CC#CCCOCC=O 4c04347fb225e9caa89db4068f49522e [0,1,0,0,0,0|0,0,3]=4 877 B8R0.4 CC#CCCOCCC 387cb960b2fced33dd26ab6a4fb5ee8c [0,1,0,0,0,0|1,0,1]=3 878 B8R0.4 CC#CCCOCCF 52e5cd47e03dfbc66a39c899899d8e30 [0,1,0,0,0,0|1,0,1]=3 879 B8R0.4 CC#CCCOCCS 4cf8bba0fcd3046d820f2419963771c0 [0,1,0,0,0,0|0,1,1]=3 880 B8R0.4 CC#CCCOCOC 2fafef77642fc7756947cbc16368bb4d [0,1,0,0,0,0|2,0,1]=4 881 B8R0.4 CC#CCCOCSC 80b74f8165d1731d8886dd6019bd5d5a [0,1,0,0,0,0|2,0,1]=4 882 B8R0.4 CC#CCNCCCC 92172ffefbb6c9e292f504492bf5dd32 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.4 CC#CCNCCCO 8452183b079d4b534410007ad00acc65 [0,1,0,0,0,0|1,0,2]=4 884 B8R0.4 CC#CCNCCOC 5b68d2255ff34ae1d6775f32457991d1 [0,1,0,0,0,0|1,0,2]=4 885 B8R0.4 CC#CCOCCC#N c57077f0f764ddc2afa82760b32e7ae6 [0,1,0,0,0,0|1,0,2]=4 886 B8R0.4 CC#CCOCCC=O 12f959adc804eb71938fa75dc36ad2f6 [0,1,0,0,0,0|0,0,3]=4 887 B8R0.4 CC#CCOCCCC 7f94de9642ccae29ed5e6282618d3bd1 [0,1,0,0,0,0|1,0,1]=3 888 B8R0.4 CC#CCOCCCF 66740b3f5a5c5bbda9149f08d2d363f4 [0,1,0,0,0,0|1,0,2]=4 889 B8R0.4 CC#CCOCCCS 9c7b28b6a7561f1c7d649b8a67b7c2da [0,1,0,0,0,0|0,1,2]=4 890 B8R0.4 CC#CCOCCOC 55d9b367dd7e839d8e76e87c05504b58 [0,1,0,0,0,0|0,0,2]=3 891 B8R0.4 CC#CCOCCSC 54026a423507e76e264159ea1eeff91a [0,1,0,0,0,0|0,1,2]=4 892 B8R0.4 CC#CCOCOCC c50aac4faec7cece8d53434c2d9faf93 [0,1,0,0,0,0|1,0,2]=4 893 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [0,1,0,0,0,0|2,0,1]=4 894 B8R0.4 CC/C=C/CNCCBr 1efd764ee57dc65be1c0b16587baa891 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [0,1,0,0,0,0|2,0,1]=4 896 B8R0.4 CC/C=C/CNCCF 941667b58ffa216efb1af53e94ad7152 [0,1,0,0,0,0|2,0,1]=4 897 B8R0.4 CC/C=C/CNCCI 6d6706276d9cacecb7dbbca8ea7b453a [0,1,0,0,0,0|2,0,1]=4 898 B8R0.4 CC/C=C/CNCCO 141b854b7ea740721874c3a88dd89e50 [0,1,0,0,0,0|1,0,1]=3 899 B8R0.4 CC/C=C/CNCCS 45052a68f5bdd8de4365f76aaf1ba3d0 [0,1,0,0,0,0|1,1,1]=4 900 B8R0.4 CC/C=C/COCC#N 02b76d5228b9f970d7bd7fa26edc79dc [0,1,0,0,0,0|1,0,2]=4 901 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,1,0,0,0,0|0,0,3]=4 902 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [0,1,0,0,0,0|1,0,1]=3 903 B8R0.4 CC/C=C/COCCF 2a8967892fd524c5820478ef10bcc725 [0,1,0,0,0,0|1,0,1]=3 904 B8R0.4 CC/C=C/COCCS d6ad362599078ed5bc582011934d083a [0,1,0,0,0,0|0,1,1]=3 905 B8R0.4 CC/C=C/COCOC 3dfee6432437086c29231f9b1b3a76a8 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,1,0,0,0,0|2,0,1]=4 907 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.4 CC/C=C\COCC#N 470c51425997c74c551e30f33c442d75 [0,1,0,0,0,0|1,0,2]=4 909 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,1,0,0,0,0|0,0,3]=4 910 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [0,1,0,0,0,0|1,0,1]=3 911 B8R0.4 CC/C=C\COCCF 2b38e120135402cc20ee9ae0b698961a [0,1,0,0,0,0|1,0,1]=3 912 B8R0.4 CC/C=C\COCCS 811a9bd602c4f49de9eadd9afc91808f [0,1,0,0,0,0|0,1,1]=3 913 B8R0.4 CC/C=C\COCOC 2a89ae2104c37be23e4faf0d1930f1ff [0,1,0,0,0,0|2,0,1]=4 914 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,1,0,0,0,0|2,0,1]=4 915 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,1,0,0,0,0|1,0,2]=4 917 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,1,0,0,0,0|1,0,2]=4 918 B8R0.4 CC=CCOCCC#N 476ee7a2964ccb33059d9076b3372dbb [0,1,0,0,0,0|1,0,2]=4 919 B8R0.4 CC=CCOCCC=O 11b79e80ce2ed0bdd15b0d17abab0682 [0,1,0,0,0,0|0,0,3]=4 920 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,1,0,0,0,0|1,0,1]=3 921 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [0,1,0,0,0,0|1,0,2]=4 922 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [0,1,0,0,0,0|0,1,2]=4 923 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,1,0,0,0,0|0,0,2]=3 924 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,1,0,0,0,0|0,1,2]=4 925 B8R0.4 CC=CCOCOCC c8fa9800ff7a3ee66628e2aa963defd9 [0,1,0,0,0,0|1,0,2]=4 926 B8R0.4 CCC#CCCOCC 4cce7b24b6fbc922deb63899ac441019 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.4 CCC#CCNCCC 508bd01b11d11ed82c7053cb3af1a986 [0,1,0,0,0,0|2,0,1]=4 928 B8R0.4 CCC#CCNCCI f4ff38057511b20665946fa9f997bec6 [0,1,0,0,0,0|2,0,1]=4 929 B8R0.4 CCC#CCNCCO 342f8f12192ac298790b8242f1648c24 [0,1,0,0,0,0|1,0,1]=3 930 B8R0.4 CCC#CCNCCS f2c620380da92c10c6dd279e25b22b67 [0,1,0,0,0,0|1,1,1]=4 931 B8R0.4 CCC#CCOCC#N 8a408e64ec844462de7be523d789896d [0,1,0,0,0,0|1,0,2]=4 932 B8R0.4 CCC#CCOCC=O 99290f74ddb0278e9538fb31d6282bff [0,1,0,0,0,0|0,0,3]=4 933 B8R0.4 CCC#CCOCCC 4e180024a47b40b4debdbd4f1d487e6a [0,1,0,0,0,0|1,0,1]=3 934 B8R0.4 CCC#CCOCCF fa12a3cda1757850fe8b8814e4252c73 [0,1,0,0,0,0|1,0,1]=3 935 B8R0.4 CCC#CCOCCS 2566dcb10f89a176a755c9881ab912eb [0,1,0,0,0,0|0,1,1]=3 936 B8R0.4 CCC#CCOCOC bd0f991f06ad8ff7ce35aa473b8a6860 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.4 CCC#CCOCSC 57e6e566d9289fb60b2bd043f3fdc016 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.4 CCC/C=C/COCC 194c2fe9a034aa9429bf8b431746f7e5 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.4 CCC/C=C/COCF 363b3dafb0c99a41f008be5dc0bd0a1d [0,1,0,0,0,0|2,0,1]=4 940 B8R0.4 CCC/C=C\COCC 6a1508b69f1117002ddef7a5ce847c5e [0,1,0,0,0,0|2,0,1]=4 941 B8R0.4 CCC/C=C\COCF 32dee642d588426359eb4e546e1f4c84 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.4 CCCC#CCOCC 67d8c0a8a90da169e4506ec702d90d64 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.4 CCCC#CCOCF 378141d9e53791b4641b4ae4c445f763 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,1,0,0,0,0|1,0,2]=4 946 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,1,0,0,0,0|2,0,0]=3 947 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,1,0,0,0,0|2,0,0]=3 948 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,1,0,0,0,0|1,0,0]=2 949 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,1,0,0,0,0|2,0,0]=3 950 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,1,0,0,0,0|2,0,0]=3 951 B8R0.4 CCCCCNCC#N 0c9f40f537b6e3cc81cf454315cbd283 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,1,0,0,0,0|1,0,2]=4 953 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [0,1,0,0,0,0|2,0,0]=3 954 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [0,1,0,0,0,0|2,0,0]=3 955 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [0,1,0,0,0,0|2,0,0]=3 956 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [0,1,0,0,0,0|2,0,0]=3 957 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,1,0,0,0,0|1,0,0]=2 958 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [0,1,0,0,0,0|1,1,0]=3 959 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,1,0,0,0,0|2,0,0]=3 960 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,1,0,0,0,0|2,1,0]=4 961 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [0,1,0,0,0,0|1,0,1]=3 962 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,1,0,0,0,0|0,0,2]=3 963 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [0,1,0,0,0,0|1,0,0]=2 964 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [0,1,0,0,0,0|1,0,0]=2 965 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [0,1,0,0,0,0|0,1,0]=2 966 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,1,0,0,0,0|2,0,0]=3 967 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,1,0,0,0,0|2,0,0]=3 968 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [0,1,0,0,0,0|2,0,1]=4 970 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,1,0,0,0,0|1,0,1]=3 971 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [0,1,0,0,0,0|2,0,0]=3 972 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,1,0,0,0,0|1,0,1]=3 973 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [0,1,0,0,0,0|2,0,0]=3 974 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [0,1,0,0,0,0|2,0,0]=3 975 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [0,1,0,0,0,0|2,0,0]=3 976 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,1,0,0,0,0|1,0,0]=2 977 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [0,1,0,0,0,0|1,1,0]=3 978 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,1,0,0,0,0|1,0,0]=2 979 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,1,0,0,0,0|1,0,0]=2 980 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,1,0,0,0,0|1,1,0]=3 981 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,1,0,0,0,0|2,0,0]=3 982 B8R0.4 CCCCNCSC#N dfeda221abed111486763f2fd74e4e88 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [0,1,0,0,0,0|1,0,1]=3 984 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [0,1,0,0,0,0|1,0,1]=3 985 B8R0.4 CCCCOCC#CI de4efa528daa8422c1ae39c8b0defeb9 [0,1,0,0,0,0|1,0,1]=3 986 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [0,1,0,0,0,0|1,0,1]=3 987 B8R0.4 CCCCOCCC#N d96485889b3a21063dcc51f113b3be83 [0,1,0,0,0,0|1,0,0]=2 988 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,1,0,0,0,0|0,0,1]=2 989 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [0,1,0,0,0,0|1,0,0]=2 990 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [0,1,0,0,0,0|1,0,0]=2 991 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [0,1,0,0,0,0|0,1,0]=2 992 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,1,0,0,0,0|0,0,0]=1 993 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,1,0,0,0,0|0,1,0]=2 994 B8R0.4 CCCCOCNC#N 7d8640c8f1ae7154115955640afd3895 [0,1,0,0,0,0|1,0,1]=3 995 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [0,1,0,0,0,0|1,0,0]=2 996 B8R0.4 CCCCOCSC#N 9c7075f55dbeb3f0f43910abd503e0d9 [0,1,0,0,0,0|1,0,1]=3 997 B8R0.4 CCCNCC#CCO f4ac2da6fda4ff130e25482d383253d7 [0,1,0,0,0,0|1,0,1]=3 998 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,1,0,0,0,0|1,0,2]=4 1000 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [0,1,0,0,0,0|2,0,0]=3 1001 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,1,0,0,0,0|1,0,0]=2 1003 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [0,1,0,0,0,0|1,1,0]=3 1004 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,1,0,0,0,0|2,0,0]=3 1006 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,1,0,0,0,0|2,0,0]=3 1007 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,1,0,0,0,0|2,0,0]=3 1008 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [0,1,0,0,0,0|1,0,1]=3 1009 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,1,0,0,0,0|1,0,1]=3 1010 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [0,1,0,0,0,0|1,0,0]=2 1011 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [0,1,0,0,0,0|1,0,0]=2 1012 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,1,0,0,0,0|1,0,0]=2 1013 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,1,0,0,0,0|1,0,0]=2 1014 B8R0.4 CCCOCCNC#N 7c9db8b809fab9f35251db16db3e5fe8 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,1,0,0,0,0|2,0,1]=4 1016 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [0,1,0,0,0,0|1,0,0]=2 1017 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [0,1,0,0,0,0|2,0,0]=3 1018 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,1,0,0,0,0|2,0,0]=3 1019 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,1,0,0,0,0|1,0,0]=2 1021 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,1,0,0,0,0|1,0,0]=2 1023 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,1,0,0,0,0|1,1,0]=3 1024 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,1,0,0,0,0|2,1,0]=4 1025 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,1,0,0,0,0|1,0,0]=2 1028 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,1,0,0,0,0|2,1,0]=4 1030 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,1,0,0,0,0|3,0,0]=4 1031 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [0,1,0,0,0,0|0,0,0]=1 1032 B8R0.4 CCNCCOCCS c3388bd6ae086c9b8dbf3a86d3508eb7 [0,1,0,0,0,0|0,1,0]=2 1033 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,1,0,0,0,0|0,1,0]=2 1034 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [0,1,0,0,0,0|2,0,1]=4 1035 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,1,0,0,0,0|1,0,2]=4 1036 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,1,0,0,0,0|2,1,0]=4 1038 B8R0.4 CCOCCCNCF c6a11378b9c44a817d79d2cae799cfcb [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,1,0,0,0,0|2,0,0]=3 1040 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,1,0,0,0,0|3,0,0]=4 1042 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,1,0,0,0,0|3,0,0]=4 1043 B8R0.4 CCOCCNCC#N 7e04caa8d8487e3b3349d72d3e34b6ab [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,1,0,0,0,0|1,0,2]=4 1045 B8R0.4 CCOCCNCCBr 24d90c4b8e1e41e3d5a0a74399711bae [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.4 CCOCCNCCF 0faef7540a48aa944230e6a301e4788b [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.4 CCOCCNCCI f65e8675fe2e8893dceda2bbe3a9ec63 [0,1,0,0,0,0|2,0,0]=3 1048 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [0,1,0,0,0,0|1,0,0]=2 1049 B8R0.4 CCOCCNCCS ae3728d23412f412d31284f71a900d8b [0,1,0,0,0,0|1,1,0]=3 1050 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [0,1,0,0,0,0|3,0,0]=4 1051 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,1,0,0,0,0|3,0,0]=4 1052 B8R0.4 CCOCCOCC#N ffcdb54cd53f3f62d45c591bf468ded5 [0,1,0,0,0,0|1,0,1]=3 1053 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [0,1,0,0,0,0|0,0,2]=3 1054 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [0,1,0,0,0,0|1,0,0]=2 1055 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [0,1,0,0,0,0|0,1,0]=2 1056 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [0,1,0,0,0,0|2,0,0]=3 1058 B8R0.4 CCOCNCCC#N 7c79367a1b49005ee9bee23801fee7d2 [0,1,0,0,0,0|3,0,0]=4 1059 B8R0.4 CCOCNCCCCl 1846db9f15f7a8a85185f6bc4bad5303 [0,1,0,0,0,0|3,0,0]=4 1060 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.4 CCOCNCCON 072d82705d35da15718af35238f91212 [0,1,0,0,0,0|2,0,0]=3 1063 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,1,0,0,0,0|2,1,0]=4 1064 B8R0.4 CCOCOC/C=C/Cl b81243be1fec54ca1946ebc28914fa2e [0,1,0,0,0,0|2,0,1]=4 1065 B8R0.4 CCOCOCC#CI 1f4741542422e8889e8b948d92deda2b [0,1,0,0,0,0|2,0,1]=4 1066 B8R0.4 CCOCOCC=CCl adddf26512072fc7b4e911d3418df700 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.4 CCOCOCCC#N 59aa23affa9d2d1c5cfb3a42296fb54a [0,1,0,0,0,0|2,0,0]=3 1068 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [0,1,0,0,0,0|1,0,1]=3 1069 B8R0.4 CCOCOCCCF 46d1dba63f6b597718627da78c4b8925 [0,1,0,0,0,0|2,0,0]=3 1070 B8R0.4 CCOCOCCCS 1394d614946e314ee48b201c438f266a [0,1,0,0,0,0|1,1,0]=3 1071 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [0,1,0,0,0,0|1,0,0]=2 1072 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [0,1,0,0,0,0|1,1,0]=3 1073 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,1,0,0,0,0|3,0,0]=4 1074 B8R0.4 CCSCCNCC#N 2eec74bf94384535450201d4fdc214fc [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,1,0,0,0,0|1,0,2]=4 1076 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [0,1,0,0,0,0|2,0,0]=3 1077 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [0,1,0,0,0,0|2,0,0]=3 1078 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [0,1,0,0,0,0|2,0,0]=3 1079 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,1,0,0,0,0|1,0,0]=2 1080 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [0,1,0,0,0,0|1,1,0]=3 1081 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,1,0,0,0,0|3,0,0]=4 1082 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [0,1,0,0,0,0|3,0,0]=4 1083 B8R0.4 CCSCCOCC#N 043c2069d87b0e87ef3782e40a36920e [0,1,0,0,0,0|1,0,1]=3 1084 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,1,0,0,0,0|0,0,2]=3 1085 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [0,1,0,0,0,0|1,0,0]=2 1086 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [0,1,0,0,0,0|0,1,0]=2 1087 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,1,0,0,0,0|2,0,0]=3 1088 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [0,1,0,0,0,0|2,0,0]=3 1089 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,1,0,0,0,0|3,0,0]=4 1090 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,1,0,0,0,0|2,0,0]=3 1091 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.4 COCCCNCC#N b242d64b876a0e1fe93c595a985aa41d [0,1,0,0,0,0|2,0,1]=4 1093 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,1,0,0,0,0|1,0,2]=4 1094 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [0,1,0,0,0,0|2,0,0]=3 1095 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [0,1,0,0,0,0|2,0,0]=3 1096 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [0,1,0,0,0,0|2,0,0]=3 1097 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [0,1,0,0,0,0|1,0,0]=2 1098 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [0,1,0,0,0,0|1,1,0]=3 1099 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [0,1,0,0,0,0|3,0,0]=4 1100 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,1,0,0,0,0|3,0,0]=4 1101 B8R0.4 COCCCOCC#N c35b3ae55d827aab3d6100ded7bddf6e [0,1,0,0,0,0|1,0,1]=3 1102 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,1,0,0,0,0|0,0,2]=3 1103 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [0,1,0,0,0,0|1,0,0]=2 1104 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [0,1,0,0,0,0|0,1,0]=2 1105 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [0,1,0,0,0,0|2,0,0]=3 1106 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,1,0,0,0,0|2,0,0]=3 1107 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [0,1,0,0,0,0|2,0,1]=4 1108 B8R0.4 COCCNCCC#N 43c289c2d252e238557ad5e314db3266 [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,1,0,0,0,0|2,0,1]=4 1110 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [0,1,0,0,0,0|2,0,0]=3 1111 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [0,1,0,0,0,0|2,0,0]=3 1112 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [0,1,0,0,0,0|2,0,0]=3 1113 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [0,1,0,0,0,0|2,0,0]=3 1114 B8R0.4 COCCNCCOC 7f69cc5c3d87f83720e2be24902d0af0 [0,1,0,0,0,0|2,0,0]=3 1115 B8R0.4 COCCNCCON 89199e813abd4798288aaf694ec385ef [0,1,0,0,0,0|2,0,0]=3 1116 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.4 COCCOC/C=C/Cl d36d34f68994eec49dbe330cbe20d2f5 [0,1,0,0,0,0|1,0,2]=4 1118 B8R0.4 COCCOC/C=C\Cl acf4247a6be926b91c5b4657cbe20d44 [0,1,0,0,0,0|1,0,2]=4 1119 B8R0.4 COCCOCC#CI 50a276deff9e5bcee72e6209ca9d0799 [0,1,0,0,0,0|1,0,2]=4 1120 B8R0.4 COCCOCC=CCl e41d815adaeb1ef91516917472352b4f [0,1,0,0,0,0|1,0,2]=4 1121 B8R0.4 COCCOCCC#N a4844b9487eb0ea1ec50ff13a58eb0d7 [0,1,0,0,0,0|1,0,1]=3 1122 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,1,0,0,0,0|1,0,1]=3 1123 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [0,1,0,0,0,0|1,0,0]=2 1124 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [0,1,0,0,0,0|1,0,0]=2 1125 B8R0.4 COCCOCCOC b3f4861d575f20a0b2a5fdeb65250e49 [0,1,0,0,0,0|1,0,0]=2 1126 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,1,0,0,0,0|1,0,0]=2 1127 B8R0.4 COCCOCNC#N 30ea105c600d9653524148e8be6c2d94 [0,1,0,0,0,0|2,0,1]=4 1128 B8R0.4 COCCOCSC#N 17c26747055857d064604beb2499c21f [0,1,0,0,0,0|2,0,1]=4 1129 B8R0.4 COCNCC#CCO 1307cbbebcf0bb45ced93cb0a3c8703f [0,1,0,0,0,0|2,0,1]=4 1130 B8R0.4 COCNCCCCCl d47b66156d6f192dfb73b80cd35af2c2 [0,1,0,0,0,0|3,0,0]=4 1131 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [0,1,0,0,0,0|2,0,0]=3 1132 B8R0.4 COCNCCCCS a2c1ef24130e97b681aa9ad1afee8274 [0,1,0,0,0,0|2,1,0]=4 1133 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [0,1,0,0,0,0|3,0,0]=4 1134 B8R0.4 COCOCCCC#N a7262b670e7dbcbdbd1c28ecab6c39f1 [0,1,0,0,0,0|2,0,1]=4 1135 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [0,1,0,0,0,0|2,0,1]=4 1136 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [0,1,0,0,0,0|2,0,0]=3 1137 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [0,1,0,0,0,0|2,0,0]=3 1138 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,1,0,0,0,0|3,0,0]=4 1140 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,1,0,0,0,0|2,0,0]=3 1141 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,1,0,0,0,0|3,0,0]=4 1142 B8R0.4 CSCCCNCC#N 165f98d70570f4cd41fba0a703555e9a [0,1,0,0,0,0|2,0,1]=4 1143 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,1,0,0,0,0|1,0,2]=4 1144 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,1,0,0,0,0|2,0,0]=3 1145 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,1,0,0,0,0|2,0,0]=3 1146 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,1,0,0,0,0|2,0,0]=3 1147 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,1,0,0,0,0|1,0,0]=2 1148 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,1,0,0,0,0|1,1,0]=3 1149 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [0,1,0,0,0,0|3,0,0]=4 1150 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [0,1,0,0,0,0|1,0,1]=3 1151 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,1,0,0,0,0|0,0,2]=3 1152 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [0,1,0,0,0,0|1,0,0]=2 1153 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [0,1,0,0,0,0|0,1,0]=2 1154 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [0,1,0,0,0,0|2,0,0]=3 1155 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.4 CSCCNCCC#N a0acae4cf5595d98d145d1c7ad0cdff1 [0,1,0,0,0,0|3,0,0]=4 1157 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,1,0,0,0,0|2,0,1]=4 1158 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,1,0,0,0,0|2,1,0]=4 1159 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,1,0,0,0,0|2,1,0]=4 1160 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,1,0,0,0,0|2,0,0]=3 1161 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,1,0,0,0,0|2,1,0]=4 1162 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,1,0,0,0,0|2,0,0]=3 1163 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,1,0,0,0,0|2,1,0]=4 1164 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,1,0,0,0,0|2,0,1]=4 1165 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,1,0,0,0,0|2,0,1]=4 1166 B8R0.4 CSCCOCC#CI ce5d5ceed8257d05e5b9f55277bfa9e2 [0,1,0,0,0,0|2,0,1]=4 1167 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,1,0,0,0,0|2,0,1]=4 1168 B8R0.4 CSCCOCCC#N 8f26ba09caeb7d07b3d9a153be269494 [0,1,0,0,0,0|2,0,0]=3 1169 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,1,0,0,0,0|1,0,1]=3 1170 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,1,0,0,0,0|1,1,0]=3 1171 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,1,0,0,0,0|1,1,0]=3 1172 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [0,1,0,0,0,0|1,1,0]=3 1173 B8R0.4 CSCCOCSC#N b0e8097cd7171b01f502d6b2451628a9 [0,1,0,0,0,0|2,0,1]=4 1174 B8R0.4 CSCNCC#CCO 347ca15394a1030780fd8e985473fea6 [0,1,0,0,0,0|2,0,1]=4 1175 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,1,0,0,0,0|3,0,0]=4 1176 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,1,0,0,0,0|2,0,0]=3 1177 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,1,0,0,0,0|2,1,0]=4 1178 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,1,0,0,0,0|2,0,1]=4 1180 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,1,0,0,0,0|2,0,0]=3 1181 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,1,0,0,0,0|2,0,0]=3 1182 B8R0.4 FCCCCNCCBr 1bc9dcab92a1f12330accfd2e72e14d6 [0,1,0,0,0,0|2,0,0]=3 1183 B8R0.4 FCCCCNCCF b075693ceddaf7fa11043e144c2816af [0,1,0,0,0,0|2,0,0]=3 1184 B8R0.4 FCCCCNCCI ae7ed6aebf6c4a1c34a09e82d047c2a9 [0,1,0,0,0,0|2,0,0]=3 1185 B8R0.4 FCCCCNCCS 816bb59d91997d2c1bc92b7c0f6e366d [0,1,0,0,0,0|1,1,0]=3 1186 B8R0.4 FCCCCOCCF 17e41dc14ab54f79884ac156b3d1ba74 [0,1,0,0,0,0|1,0,0]=2 1187 B8R0.4 FCCCCOCCS e510e523279ca95973ccf48144b1bca7 [0,1,0,0,0,0|0,1,0]=2 1188 B8R0.4 FCCCNCCCCl 61f0c1078fb9a5f585e48809f4300baf [0,1,0,0,0,0|3,0,0]=4 1189 B8R0.4 FCCCOC/C=C/Cl d0967a8f6e4b1804a14872609cb362f2 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.4 FCCCOC/C=C\Cl b6e07429f21f1651e3a116b491d397df [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.4 FCCCOCC#CI 9536b48c5b0c54f0b35f280b061967e1 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.4 FCCCOCC=CCl 69b699909646a8b8bc7e63988bf97afa [0,1,0,0,0,0|2,0,1]=4 1193 B8R0.4 FCCCOCCCF e373f4a6b2c7dc09eddb397d23d9d066 [0,1,0,0,0,0|2,0,0]=3 1194 B8R0.4 FCCCOCCCS a95e3eb0421bef7333721cdcdbd3bc4b [0,1,0,0,0,0|1,1,0]=3 1195 B8R0.4 FCCNCCCCCl 1975b8307faa11448c1bdf8992af87f1 [0,1,0,0,0,0|2,0,0]=3 1196 B8R0.4 FCCNCCCCS 8ed200c082c73abc8837abac0f9d569b [0,1,0,0,0,0|2,0,0]=3 1197 B8R0.4 FCCOCCCCS bc8da81f510b1c1aea4df0919b9f364c [0,1,0,0,0,0|1,0,0]=2 1198 B8R0.4 FCCOCCOCF 50faf2dad833fe3e63e98bde9468a2dc [0,1,0,0,0,0|2,0,0]=3 1199 B8R0.4 FCNCCCCCCl bd9b55a0e75ce920cf8d77e10ce4c39a [0,1,0,0,0,0|3,0,0]=4 1200 B8R0.4 FCNCCOCCS 81c3ea799373ab4388a0e02673ec8aa3 [0,1,0,0,0,0|1,1,0]=3 1201 B8R0.4 FCOCCOCCS 116791f236e7274b8239c1c779308cdb [0,1,0,0,0,0|1,1,0]=3 1202 B8R0.4 N#CCCCCNCO b6c56dbe4ec4be1fb74a7aa3f8c9d63c [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.4 N#CCCCNCCBr 9646314ae10933380476a0b50b70dd6f [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.4 N#CCCCNCCF f3a3c85a05e2fed60b53151d779a3d57 [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.4 N#CCCCNCCI 6fe32d46c4b09423b360ae2658c34cad [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.4 N#CCCCNCCO 1dbf1dfb1c947fbab873cfb67d68498d [0,1,0,0,0,0|1,0,1]=3 1207 B8R0.4 N#CCCCNCCS f1d4288c7ae95d3ba4fe68122d435f50 [0,1,0,0,0,0|1,1,1]=4 1208 B8R0.4 N#CCCCOCC#N 1d817ab2005fa52e52218fd7fd05967e [0,1,0,0,0,0|1,0,2]=4 1209 B8R0.4 N#CCCCOCC=O 5021bfa282317572b50730c05559236b [0,1,0,0,0,0|0,0,3]=4 1210 B8R0.4 N#CCCCOCCF 3cc6f1965f29bfb8d3003f7aa96dc818 [0,1,0,0,0,0|1,0,1]=3 1211 B8R0.4 N#CCCCOCCS 9ca30e3aa7d54c032e688e73d2fa21dc [0,1,0,0,0,0|0,1,1]=3 1212 B8R0.4 N#CCCNCCCCl 4d26c93a795b8c4868a347eb7cf2f579 [0,1,0,0,0,0|3,0,0]=4 1213 B8R0.4 N#CCCNCCCF 79875045835f8f079925016b65bd29ee [0,1,0,0,0,0|3,0,0]=4 1214 B8R0.4 N#CCCNCCCO 03e45c8fdb4434cec08ca61a1346d851 [0,1,0,0,0,0|2,0,1]=4 1215 B8R0.4 N#CCCNCCCS fb8f8ebe6b101bd7cbbdebe77a3467e8 [0,1,0,0,0,0|3,0,0]=4 1216 B8R0.4 N#CCCNCCON ee3f7fafc8b503c92931d54bd5b3c449 [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.4 N#CCCOCCC#N 39bb38d03d5dfc16f344d22a6f32d433 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.4 N#CCCOCCC=O 7ec41fdd2ff1ba3ed3a0b9e19f3d2454 [0,1,0,0,0,0|1,0,2]=4 1219 B8R0.4 N#CCCOCCCF 527853a9035941a5ae6ea1d11e87f5b0 [0,1,0,0,0,0|2,0,0]=3 1220 B8R0.4 N#CCCOCCCS 109c161ea57fe03e8f1668433541dd56 [0,1,0,0,0,0|2,0,0]=3 1221 B8R0.4 N#CCNCCCCCl 64cffd22659d076d8e5ed89a536f0a7b [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.4 N#CCNCCCCF 420862cb0c46a5448983ec0b9086a8df [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.4 N#CCNCCCCO b77909d4a72cb9821a3b38b67388a721 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.4 N#CCNCCCCS 95731551881dc28826199a6fba4c13fc [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.4 N#CCOCCCC=O 5d03e3c86ae9653ce110fc1972a6bc02 [0,1,0,0,0,0|1,0,2]=4 1226 B8R0.4 N#CCOCCCCF fbb8b2b491f4e2209beccd9a28f015a6 [0,1,0,0,0,0|1,0,1]=3 1227 B8R0.4 N#CCOCCCCS a9c7636b0cd5c413edef62b885d60b8e [0,1,0,0,0,0|1,0,1]=3 1228 B8R0.4 N#CNCCCCCO d583c9789e660923ecc814b67aac885f [0,1,0,0,0,0|2,0,1]=4 1229 B8R0.4 N#CNCCOCCO 09ed6ab0a5e3f4dd0b56b1cf2a8512d3 [0,1,0,0,0,0|1,0,1]=3 1230 B8R0.4 N#CSCOCCCF 6b6b4227b78422140f87257cec2f2f41 [0,1,0,0,0,0|2,0,1]=4 1231 B8R0.4 N#CSCOCCCS 9cc0dd1c1cfcd9c525da793d1486525a [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.4 NOCCNCCC=O a28664bdd7f1423388d38847fe6fa46f [0,1,0,0,0,0|2,0,1]=4 1233 B8R0.4 NOCCNCCCF 8483cad025896473acdf0dcb905aa8c1 [0,1,0,0,0,0|2,0,0]=3 1234 B8R0.4 NOCCNCCCO 774001fb7b569048dbf3827ed251d91b [0,1,0,0,0,0|2,0,0]=3 1235 B8R0.4 NOCCNCCCS 472fcce172ae40137cb5077898e16ed7 [0,1,0,0,0,0|2,0,0]=3 1236 B8R0.4 O/C=C\CNCCCCl db29be0ef4ab6e7b81b2d735c091af58 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [0,1,0,0,0,0|2,0,1]=4 1240 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,1,0,0,0,0|1,0,1]=3 1242 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [0,1,0,0,0,0|1,1,1]=4 1243 B8R0.4 O=CCCCOCC=O a3d7179e2fd1cae25f7f53e552046696 [0,1,0,0,0,0|0,0,3]=4 1244 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [0,1,0,0,0,0|1,0,1]=3 1245 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [0,1,0,0,0,0|0,1,1]=3 1246 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.4 O=CCCOCCC=O 9ddac43159e400089a6db60f04bc736c [0,1,0,0,0,0|1,0,2]=4 1249 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [0,1,0,0,0,0|1,0,1]=3 1250 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [0,1,0,0,0,0|1,0,1]=3 1251 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,1,0,0,0,0|1,0,2]=4 1252 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,1,0,0,0,0|1,0,2]=4 1253 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,1,0,0,0,0|1,0,2]=4 1254 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,1,0,0,0,0|0,0,2]=3 1255 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,1,0,0,0,0|0,0,2]=3 1256 B8R0.4 O=CCOCCOCF bfda5f83f4865dfb775a71a596865b83 [0,1,0,0,0,0|1,0,2]=4 1257 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.4 O=CNCCOCCF c8a5c0eacdcd1d316a424c4005d58ef9 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,1,0,0,0,0|1,0,1]=3 1260 B8R0.4 O=CNCCOCCS fd3b3090b4eefe81cd9992494316f59f [0,1,0,0,0,0|1,1,1]=4 1261 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,1,0,0,0,0|1,1,1]=4 1262 B8R0.4 O=COCCOCCF 3ac9afe53341268fdfe07221ba11eb92 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.4 O=COCCOCCS e57473f45057007c5c8548c766fce976 [0,1,0,0,0,0|1,1,1]=4 1264 B8R0.4 OCC#CCNCCF 74c85f3c3a177e73b38c21f53deea6f0 [0,1,0,0,0,0|2,0,1]=4 1265 B8R0.4 OCC#CCNCCO a38918e0210fa7aaa13e77b17dff5be4 [0,1,0,0,0,0|1,0,2]=4 1266 B8R0.4 OCC#CCNCCS 39b7052e5e21b5c9ed356433b593b184 [0,1,0,0,0,0|2,0,1]=4 1267 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,1,0,0,0,0|2,0,0]=3 1268 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,1,0,0,0,0|2,0,0]=3 1269 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [0,1,0,0,0,0|2,0,0]=3 1271 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [0,1,0,0,0,0|1,0,0]=2 1273 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [0,1,0,0,0,0|1,1,0]=3 1274 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [0,1,0,0,0,0|2,0,0]=3 1275 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [0,1,0,0,0,0|2,0,0]=3 1276 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [0,1,0,0,0,0|2,0,0]=3 1277 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [0,1,0,0,0,0|2,0,0]=3 1278 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [0,1,0,0,0,0|1,0,0]=2 1280 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [0,1,0,0,0,0|1,0,0]=2 1281 B8R0.4 OCCOCCNCF 1688f9d4b94d3d27a20aedeebca8507f [0,1,0,0,0,0|1,0,0]=2 1282 B8R0.4 OCCOCCNCO b8376885fd98d838d1a745a28251ecc5 [0,1,0,0,0,0|1,0,0]=2 1283 B8R0.4 OCCSCCNCF cb5b3cf00adab2a34aa5e895e0a9f1fa [0,1,0,0,0,0|1,1,0]=3 1284 B8R0.4 OCCSCCNCO 3980bb589c09e1402dc3f13ea70bae04 [0,1,0,0,0,0|1,1,0]=3 1285 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,1,0,0,0,0|2,0,0]=3 1286 B8R0.4 OCNCCOCCS 571ee11f0d3575a556c292dd6fae310f [0,1,0,0,0,0|1,1,0]=3 1287 B8R0.4 SCCCCNCCS bbc20384e5a691b033ac2653063e3ebf [0,1,0,0,0,0|1,1,0]=3 1288 B8R0.4 SCCCCOCCS 99ee8ef0ab9592fe877786d3b31651be [0,1,0,0,0,0|0,1,0]=2 1289 B8R0.4 SCCCNCCCCl 6fdfe443a1562b7aec0e4a4555e2e602 [0,1,0,0,0,0|2,1,0]=4 1290 B8R0.4 SCCCOC/C=C/Cl 1b26a01fb74c2d88bc9190b137e4e1c5 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.4 SCCCOC/C=C\Cl f58f711743b2331f21ad0ee68b68ed0e [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.4 SCCCOCC#CI c3a76eb798a726cd85d11b98d435c6bb [0,1,0,0,0,0|2,0,1]=4 1293 B8R0.4 SCCCOCC=CCl aa3ff5774512124ae9b118d76b9ffcc9 [0,1,0,0,0,0|2,0,1]=4 1294 B8R0.4 SCCCOCCCS b365a2c2ba6de0483f721999d9724a99 [0,1,0,0,0,0|1,1,0]=3 1295 B8R0.4 SCCNCCCCCl 74b3cd616c7f88cf9fb2283763fb5c22 [0,1,0,0,0,0|1,1,0]=3 1296 B8R0.6 C#CC(C)NCCCC 99dcac99512f233bb0273e0e2363fd2b [0,1,0,0,0,0|2,0,1]=4 1297 B8R0.6 C#CC(C)OCCCC 3207897689b41a23a71912b34d0efa66 [0,1,0,0,0,0|1,0,1]=3 1298 B8R0.6 C#CC(C)OCCCF e2896aefd4ad3a5ffc533a67a3fdf4d6 [0,1,0,0,0,0|2,0,1]=4 1299 B8R0.6 C#CC(C)OCCCS 0b9eda91606a3fe5f471b59fa7488816 [0,1,0,0,0,0|2,0,1]=4 1300 B8R0.6 C#CC(C)OCCOC fa8aae509a40f320c397721c4970bb46 [0,1,0,0,0,0|2,0,1]=4 1301 B8R0.6 C#CC(C)OCCSC d6b22fe23f522e8f889574142a499004 [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.6 C#CC(C)OCOCC e190976f54a9c4b2bc38ceda0b3bf62a [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.6 C#CCCNC(C)CO bd125bcf60acb00eb012e341efeceee1 [0,1,0,0,0,0|1,0,2]=4 1304 B8R0.6 C#CCCN[C@@H](C)CO f40c5290647210dbcdd01337c55b86f9 [0,1,0,0,0,0|1,0,2]=4 1305 B8R0.6 C#CCCN[C@H](C)CO 92603e7476a039c3558c8e59f681d91c [0,1,0,0,0,0|1,0,2]=4 1306 B8R0.6 C#CCCOC(C)CC 8ddb2dba02e462fe364e25beff6c25f3 [0,1,0,0,0,0|1,0,2]=4 1307 B8R0.6 C#CCCOC(C)CF f3344e1274847742340f1d7d6ee3101a [0,1,0,0,0,0|1,0,2]=4 1308 B8R0.6 C#CCCOC(C)CS 28c206b467e50e60b1cbdc3e5404b98c [0,1,0,0,0,0|0,1,2]=4 1309 B8R0.6 C#CCCO[C@@H](C)CC 25d0971b7cad09435ba2dc016863f2b8 [0,1,0,0,0,0|1,0,2]=4 1310 B8R0.6 C#CCCO[C@H](C)CC 8302df280c095a2bf372ea12e667649a [0,1,0,0,0,0|1,0,2]=4 1311 B8R0.6 C#CCCO[C@H](C)CS 91f0929084e1bf6e869d2d864e7dbf48 [0,1,0,0,0,0|0,1,2]=4 1312 B8R0.6 C#CCNCC(C)CC 66f9a26a1fa940e1e7954b635126f99f [0,1,0,0,0,0|2,0,1]=4 1313 B8R0.6 C#CCNCC(O)CC 68f70068a6ca890420d84e93203c1bb9 [0,1,0,0,0,0|2,0,1]=4 1314 B8R0.6 C#CCNC[C@@H](C)CC 231903fbdec89d13be793810163b01df [0,1,0,0,0,0|2,0,1]=4 1315 B8R0.6 C#CCNC[C@H](C)CC 03f9c9a204dce084699fa0c093d37da8 [0,1,0,0,0,0|2,0,1]=4 1316 B8R0.6 C#CCNC[C@H](O)CC 60b3fc51fd2347c9eede92d6af0b9e71 [0,1,0,0,0,0|2,0,1]=4 1317 B8R0.6 C#CCOCC(=C)CC 8dcf5da4a7bcb5361796a0c436d6302d [0,1,0,0,0,0|1,0,2]=4 1318 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,1,0,0,0,0|1,0,2]=4 1319 B8R0.6 C#CCOCC(Br)CBr cba33f65728cf3faad6ab09ba14e1b96 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.6 C#CCOCC(C)CC dac3b2d5a3360d648bbc31fcabb053df [0,1,0,0,0,0|1,0,1]=3 1321 B8R0.6 C#CCOCC(C)OC f9c352f652491da8800aee176d0978d6 [0,1,0,0,0,0|2,0,1]=4 1322 B8R0.6 C#CCOCC(Cl)CCl a61938cf2ba5b7af15e7b242da119606 [0,1,0,0,0,0|2,0,1]=4 1323 B8R0.6 C#CCOCC(O)CO 7a8d30b1a8389e8b4b076524cba23b01 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.6 C#CCOCC(S)CS 9159116d8ba7f6c75702b48d84b1005d [0,1,0,0,0,0|2,0,1]=4 1325 B8R0.6 C#CCOC[C@@H](C)CC bf52f579dfc2bdace27584faec908367 [0,1,0,0,0,0|1,0,1]=3 1326 B8R0.6 C#CCOC[C@@H](C)OC 932fc573dae00d50476da510cb22fb6c [0,1,0,0,0,0|2,0,1]=4 1327 B8R0.6 C#CCOC[C@@H](O)CO e823c0e446eb476ca3e17e46d76de45c [0,1,0,0,0,0|2,0,1]=4 1328 B8R0.6 C#CCOC[C@H](C)CC c6939a3d945a70cc9f8d6a28d32fc60a [0,1,0,0,0,0|1,0,1]=3 1329 B8R0.6 C#CCOC[C@H](C)OC 3c57585a4b1d25be3cde5c62566879c2 [0,1,0,0,0,0|2,0,1]=4 1330 B8R0.6 C#CCOC[C@H](O)CO 19e14d2ac6468201bac6a94c6780bd8d [0,1,0,0,0,0|2,0,1]=4 1331 B8R0.6 C#C[C@@H](C)NCCCC 64caffac88bcc4d045741618f9fc4de7 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.6 C#C[C@@H](C)OCCCC b92639cee7f5ea1462b33c3a3cf2f7d2 [0,1,0,0,0,0|1,0,1]=3 1333 B8R0.6 C#C[C@@H](C)OCCCF a5c8dc0a1a0f858d5e53051e76da68c5 [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.6 C#C[C@@H](C)OCCCS 55aeb108f1b1a65ddba299717c789811 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.6 C#C[C@@H](C)OCCOC ec8b34c27893dee92f0685da40390e2a [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.6 C#C[C@@H](C)OCCSC e50a58f5ccae490d6355478f26a54946 [0,1,0,0,0,0|2,0,1]=4 1337 B8R0.6 C#C[C@@H](C)OCOCC 428d8efd5416e816978f20824e5e0617 [0,1,0,0,0,0|2,0,1]=4 1338 B8R0.6 C#C[C@H](C)NCCCC 3a6bb340c675c1220e4a07e2457d62cf [0,1,0,0,0,0|2,0,1]=4 1339 B8R0.6 C#C[C@H](C)OCCCC a86793577755948db77c64a70ade7d8c [0,1,0,0,0,0|1,0,1]=3 1340 B8R0.6 C#C[C@H](C)OCCCF 4a7bf41179e498bee46de124b90070ba [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.6 C#C[C@H](C)OCCCS bcb677ec80c9106cdff5fc49c6d2d76a [0,1,0,0,0,0|2,0,1]=4 1342 B8R0.6 C#C[C@H](C)OCCOC 619524f2da52c99e02993cfcc58111a1 [0,1,0,0,0,0|2,0,1]=4 1343 B8R0.6 C#C[C@H](C)OCCSC 8d841c2dac211e510b6459052038b3d0 [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.6 C#C[C@H](C)OCOCC ade5823d3daf5f14fe3066224c40052d [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [0,1,0,0,0,0|1,0,2]=4 1346 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [0,1,0,0,0,0|1,0,2]=4 1347 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [0,1,0,0,0,0|1,0,2]=4 1348 B8R0.6 C/C=C/COC(C)CC 2c3616d32d17e7eb4e788e5738c8dc04 [0,1,0,0,0,0|1,0,2]=4 1349 B8R0.6 C/C=C/COC(C)CF b1b461a44ba6aff70e0664d16eedb48f [0,1,0,0,0,0|1,0,2]=4 1350 B8R0.6 C/C=C/COC(C)CS a2ce767468eba74662c06fe1f5b419f5 [0,1,0,0,0,0|0,1,2]=4 1351 B8R0.6 C/C=C/CO[C@@H](C)CC 522e3c2ba2b761839a7a2dca4352293b [0,1,0,0,0,0|1,0,2]=4 1352 B8R0.6 C/C=C/CO[C@H](C)CC 6e608186b48520ff54a704c9b9c244cd [0,1,0,0,0,0|1,0,2]=4 1353 B8R0.6 C/C=C/CO[C@H](C)CS c5bfe82be97bccb069634e6b489c7ab2 [0,1,0,0,0,0|0,1,2]=4 1354 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [0,1,0,0,0,0|1,0,2]=4 1355 B8R0.6 C/C=C\CN[C@@H](C)CO 1658aa06967e9cc30f7dd209c8879a92 [0,1,0,0,0,0|1,0,2]=4 1356 B8R0.6 C/C=C\CN[C@H](C)CO e751366bb6353bf65b49aa5f12cb2d06 [0,1,0,0,0,0|1,0,2]=4 1357 B8R0.6 C/C=C\COC(C)CC b9929d282696082d2a43b3b1157a9118 [0,1,0,0,0,0|1,0,2]=4 1358 B8R0.6 C/C=C\COC(C)CF 9196ed6b287d666d6e0c66c2301805a4 [0,1,0,0,0,0|1,0,2]=4 1359 B8R0.6 C/C=C\COC(C)CS 71d284eae45951563c443c9da6c995c7 [0,1,0,0,0,0|0,1,2]=4 1360 B8R0.6 C/C=C\CO[C@@H](C)CC c2f4b87d51ab2c28a552b7c9d146a3ff [0,1,0,0,0,0|1,0,2]=4 1361 B8R0.6 C/C=C\CO[C@H](C)CC 3671e83702b5414e0370b18b7de3dfff [0,1,0,0,0,0|1,0,2]=4 1362 B8R0.6 C/C=C\CO[C@H](C)CS 18a2fd8d0f544623c9e6ca73c54a68f5 [0,1,0,0,0,0|0,1,2]=4 1363 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,1,0,0,0,0|0,0,3]=4 1364 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,1,0,0,0,0|2,0,1]=4 1365 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,0,0,0,0|2,0,1]=4 1366 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,1,0,0,0,0|2,0,1]=4 1367 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,1,0,0,0,0|2,0,1]=4 1368 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,1,0,0,0,0|1,0,1]=3 1369 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,1,0,0,0,0|1,1,1]=4 1370 B8R0.6 C=C(CC)COCC#N e8c99af9d025b410c3c6f961054d8c2c [0,1,0,0,0,0|1,0,2]=4 1371 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,0,0,0,0|1,0,1]=3 1372 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,1,0,0,0,0|1,0,1]=3 1373 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,1,0,0,0,0|0,1,1]=3 1374 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,1,0,0,0,0|2,0,1]=4 1375 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,1,0,0,0,0|2,0,1]=4 1377 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,1,0,0,0,0|2,0,1]=4 1380 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,1,0,0,0,0|1,1,1]=4 1381 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,1,0,0,0,0|1,0,2]=4 1382 B8R0.6 C=CC(C)COCCF 52bd07118bb081edc55a2a545a753f00 [0,1,0,0,0,0|1,0,2]=4 1383 B8R0.6 C=CC(C)COCCS 54add0fb8811a240b8fe42ef348cdf83 [0,1,0,0,0,0|0,1,2]=4 1384 B8R0.6 C=CC(C)NCCCC d3c1bcd103c726a70c57dba401d7cda5 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,1,0,0,0,0|1,0,1]=3 1386 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,1,0,0,0,0|2,0,1]=4 1387 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,1,0,0,0,0|2,0,1]=4 1390 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,1,0,0,0,0|1,0,2]=4 1392 B8R0.6 C=CCCNC(C)CO 4c19367b66c3870cb1b9b059820dfae4 [0,1,0,0,0,0|1,0,2]=4 1393 B8R0.6 C=CCCN[C@@H](C)CO bd75d5ba5552ec3b4468e50c48f577dc [0,1,0,0,0,0|1,0,2]=4 1394 B8R0.6 C=CCCN[C@H](C)CO dcb6aa26546bb9950f8526419d01344b [0,1,0,0,0,0|1,0,2]=4 1395 B8R0.6 C=CCCOC(C)CC b8bb0fe92dd0d23b9879350a5841a976 [0,1,0,0,0,0|1,0,2]=4 1396 B8R0.6 C=CCCOC(C)CF 0e487925b38dfe7a8f30a61d464d191c [0,1,0,0,0,0|1,0,2]=4 1397 B8R0.6 C=CCCOC(C)CS b8f1fc30072621f664eef040a9b38cb9 [0,1,0,0,0,0|0,1,2]=4 1398 B8R0.6 C=CCCO[C@@H](C)CC 29dfa30bd98e5dbf9563047158a37aea [0,1,0,0,0,0|1,0,2]=4 1399 B8R0.6 C=CCCO[C@H](C)CC 5cad605e23fae06ae0f8741c6fbdd602 [0,1,0,0,0,0|1,0,2]=4 1400 B8R0.6 C=CCCO[C@H](C)CS 50de7baf66874e07c349214eaf94a3db [0,1,0,0,0,0|0,1,2]=4 1401 B8R0.6 C=CCNCC(C)CC 494ce94604ac38dadc94644e86d6a10d [0,1,0,0,0,0|2,0,1]=4 1402 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,1,0,0,0,0|2,0,1]=4 1403 B8R0.6 C=CCNC[C@@H](C)CC 10564aa737f9984860d65735a5b1d4f7 [0,1,0,0,0,0|2,0,1]=4 1404 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,1,0,0,0,0|2,0,1]=4 1405 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,0,0,0,0|1,0,2]=4 1406 B8R0.6 C=CCOCC(Br)CBr 0f3f053a4f1a86de501a97dd6bbe9b67 [0,1,0,0,0,0|2,0,1]=4 1407 B8R0.6 C=CCOCC(C)CC 80dd01c33214aee04f213ff4b3d8b154 [0,1,0,0,0,0|1,0,1]=3 1408 B8R0.6 C=CCOCC(C)OC 5e8d34ad1209ea0db8a9ab36af63874c [0,1,0,0,0,0|2,0,1]=4 1409 B8R0.6 C=CCOCC(Cl)CCl 5f52bf7b497bef46e1f04825d0106bea [0,1,0,0,0,0|2,0,1]=4 1410 B8R0.6 C=CCOCC(S)CS 6cadf0e0c67e078d0018f38326027c6d [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.6 C=CCOC[C@@H](C)CC 33cb2ec72dfd50721c249724597568dd [0,1,0,0,0,0|1,0,1]=3 1412 B8R0.6 C=CCOC[C@@H](C)OC 56af6ef64f40f572849a587c987a9fb6 [0,1,0,0,0,0|2,0,1]=4 1413 B8R0.6 C=CCOC[C@H](C)CC ea37bcd01cf18ce9e17869382a85446c [0,1,0,0,0,0|1,0,1]=3 1414 B8R0.6 C=CCOC[C@H](C)OC 19fb47c1068b524cb2a6d3cb74d2934d [0,1,0,0,0,0|2,0,1]=4 1415 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,1,0,0,0,0|1,0,1]=3 1416 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,1,0,0,0,0|2,0,1]=4 1417 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,1,0,0,0,0|2,0,1]=4 1418 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,1,0,0,0,0|2,0,1]=4 1419 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,1,0,0,0,0|2,0,1]=4 1420 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,1,0,0,0,0|2,0,1]=4 1421 B8R0.6 CC#CCNC(C)CO 23e225c7d8666e7cd9fab71c3c02027b [0,1,0,0,0,0|1,0,2]=4 1422 B8R0.6 CC#CCN[C@@H](C)CO 1068d83bc36bbc672c0603497ce936ec [0,1,0,0,0,0|1,0,2]=4 1423 B8R0.6 CC#CCN[C@H](C)CO 2fcdc2f813137919a6a940204b2c29f8 [0,1,0,0,0,0|1,0,2]=4 1424 B8R0.6 CC#CCOC(C)CC ddd5738c758b6ed4cd3827aabbe1e7a6 [0,1,0,0,0,0|1,0,2]=4 1425 B8R0.6 CC(C#N)CNCCO ea131cb3d4d88a2d04b70b20cedb1fa6 [0,1,0,0,0,0|2,0,1]=4 1426 B8R0.6 CC(C#N)COCCF e3b4a278077fd90242ce4c9fbe6c8330 [0,1,0,0,0,0|2,0,1]=4 1427 B8R0.6 CC(C#N)COCCS 243ad941093631e6513e4defe54b9f02 [0,1,0,0,0,0|1,1,1]=4 1428 B8R0.6 CC(C#N)OCCCF 6ad6e48e93ff09975b5eaadd54bed619 [0,1,0,0,0,0|2,0,1]=4 1429 B8R0.6 CC(C#N)OCCCS 2b7f44c4172a7f1902dfcb936edcc75c [0,1,0,0,0,0|2,0,1]=4 1430 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,1,0,0,0,0|1,0,2]=4 1431 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,1,0,0,0,0|1,0,2]=4 1432 B8R0.6 CC(CF)OCCC#N ec39ab39fdb61d91574d55ab6a8653ce [0,1,0,0,0,0|2,0,1]=4 1433 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,1,0,0,0,0|2,0,1]=4 1434 B8R0.6 CC(CF)OCCCF 7bc681144cee5fdcb8af09ea221540db [0,1,0,0,0,0|2,0,0]=3 1435 B8R0.6 CC(CF)OCCCS 731986eac7a4ecf3954b02106c3c5b6f [0,1,0,0,0,0|2,0,0]=3 1436 B8R0.6 CC(CO)CCNCF 0ad022df943d764ef145e0f8d30541a7 [0,1,0,0,0,0|3,0,0]=4 1437 B8R0.6 CC(CO)CCNCO 4f74fd9c430ee94cbd99d6a6caafb46e [0,1,0,0,0,0|3,0,0]=4 1438 B8R0.6 CC(CO)CNCCBr d121d103935777f751c1c7b6b5f9b62f [0,1,0,0,0,0|3,0,0]=4 1439 B8R0.6 CC(CO)CNCCF 88c6f1091bf9f5c91a3f9be8331f0eb2 [0,1,0,0,0,0|3,0,0]=4 1440 B8R0.6 CC(CO)CNCCI 8370d8f29561179547fc3444e79dfad7 [0,1,0,0,0,0|3,0,0]=4 1441 B8R0.6 CC(CO)CNCCO 999d507f7ca6cc28527d7a2703f569b7 [0,1,0,0,0,0|2,0,0]=3 1442 B8R0.6 CC(CO)CNCCS afcdeaa8fef3530e70b1f054b0bb82c1 [0,1,0,0,0,0|2,1,0]=4 1443 B8R0.6 CC(CO)NCCC#N 599351de4645639bced86f46d0a39d56 [0,1,0,0,0,0|2,0,1]=4 1444 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,1,0,0,0,0|2,0,1]=4 1445 B8R0.6 CC(CO)NCCCCl 445654afe332a8f4e48709b338e385a8 [0,1,0,0,0,0|2,0,0]=3 1446 B8R0.6 CC(CO)NCCCF 628689b624b32c3b4fdc5cadc93b28b3 [0,1,0,0,0,0|2,0,0]=3 1447 B8R0.6 CC(CO)NCCCO 499b6197ac53017ec71cd3e4679adfdc [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.6 CC(CO)NCCCS 3c0f32602249770b39d3cf2b86ad6dd2 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.6 CC(CO)NCCON 2d87d48dbc6882830ae343f7f3a8c35b [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.6 CC(CS)OCCC#N 5b43cd6757a09605c16989211ce33979 [0,1,0,0,0,0|1,1,1]=4 1451 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,1,0,0,0,0|1,1,1]=4 1452 B8R0.6 CC(CS)OCCCF f73b6e9dcd3d11c1d4876dfdd241b129 [0,1,0,0,0,0|1,1,0]=3 1453 B8R0.6 CC(CS)OCCCS 9601cd8454861659e3f09da516f4a23b [0,1,0,0,0,0|1,1,0]=3 1454 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [0,1,0,0,0,0|1,0,2]=4 1455 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [0,1,0,0,0,0|1,0,2]=4 1456 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [0,1,0,0,0,0|1,0,2]=4 1457 B8R0.6 CC=CCOC(C)CC 462ecd62704a4aa668833628374dcdbd [0,1,0,0,0,0|1,0,2]=4 1458 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,0,0,0,0|2,0,1]=4 1459 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,0,0,0,0|2,0,1]=4 1460 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,0,0,0,0|2,0,1]=4 1461 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,0,0,0,0|1,0,1]=3 1462 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,0,0,0,0|1,1,1]=4 1463 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,1,0,0,0,0|1,0,2]=4 1464 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,0,0,0,0|0,0,3]=4 1465 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,0,0,0,0|1,0,1]=3 1466 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,0,0,0,0|0,1,1]=3 1467 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,1,0,0,0,0|2,0,1]=4 1468 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,0,0,0,0|2,0,1]=4 1470 B8R0.6 CCC(C)CCNCF f015aff687b1ff0add996f7f0d7f62f2 [0,1,0,0,0,0|3,0,0]=4 1471 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,1,0,0,0,0|2,0,0]=3 1472 B8R0.6 CCC(C)CCOCF ad49fb93dbc6e5096875ca8b33e35d2e [0,1,0,0,0,0|3,0,0]=4 1473 B8R0.6 CCC(C)CNCC#N 38477641e3aa4ed4ba2f6ba4c60eba47 [0,1,0,0,0,0|2,0,1]=4 1474 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,1,0,0,0,0|1,0,2]=4 1475 B8R0.6 CCC(C)CNCCBr f2c1acb694015090e62b525b7fcc63c1 [0,1,0,0,0,0|2,0,0]=3 1476 B8R0.6 CCC(C)CNCCF 2769db0f6fb5ed4083dc6fe23af3689f [0,1,0,0,0,0|2,0,0]=3 1477 B8R0.6 CCC(C)CNCCI 3d06760a9b56f4c07583e19b707193ff [0,1,0,0,0,0|2,0,0]=3 1478 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,1,0,0,0,0|1,0,0]=2 1479 B8R0.6 CCC(C)CNCCS 5c126473eb834dd2e643033d1f0f9ac2 [0,1,0,0,0,0|1,1,0]=3 1480 B8R0.6 CCC(C)CNCOC 13c5f2ed1d7a15909177c430e4e9ec33 [0,1,0,0,0,0|3,0,0]=4 1481 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,1,0,0,0,0|3,0,0]=4 1482 B8R0.6 CCC(C)COCC#N 62a406b374af06ea9f303b3b18120593 [0,1,0,0,0,0|1,0,1]=3 1483 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,1,0,0,0,0|0,0,2]=3 1484 B8R0.6 CCC(C)COCCF 234df3c7bd373782f0b57a992ab93926 [0,1,0,0,0,0|1,0,0]=2 1485 B8R0.6 CCC(C)COCCS 16a35ab92232b38df6f41f25daef241c [0,1,0,0,0,0|0,1,0]=2 1486 B8R0.6 CCC(C)COCOC 6dd199421c9efff2fe4c863bf565046e [0,1,0,0,0,0|2,0,0]=3 1487 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,1,0,0,0,0|2,0,0]=3 1488 B8R0.6 CCC(C)NCCCCl 3c30fde6c5168ee70cde18df169dc1ce [0,1,0,0,0,0|3,0,0]=4 1489 B8R0.6 CCC(C)NCCCF 67c9382accd96be051c233c106bd6818 [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.6 CCC(C)NCCCS 305cc88eaf0bb6e07e1ce30e503bc156 [0,1,0,0,0,0|2,1,0]=4 1492 B8R0.6 CCC(C)NCCOC c25488696c4e2089a7e730cde3ffad4c [0,1,0,0,0,0|3,0,0]=4 1493 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,1,0,0,0,0|3,0,0]=4 1494 B8R0.6 CCC(C)OCCC#N 342676039e3021d65d1b18ff63ffe481 [0,1,0,0,0,0|2,0,1]=4 1495 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,0,0,0,0|2,0,1]=4 1496 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,1,0,0,0,0|2,0,0]=3 1497 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,1,0,0,0,0|2,0,0]=3 1498 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,1,0,0,0,0|2,0,0]=3 1499 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,1,0,0,0,0|2,0,0]=3 1500 B8R0.6 CCC(O)CNCC#N 3be64d674cc12b1441f3e05d8ba2392f [0,1,0,0,0,0|2,0,1]=4 1501 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,1,0,0,0,0|1,0,2]=4 1502 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,1,0,0,0,0|2,0,0]=3 1503 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,1,0,0,0,0|2,0,0]=3 1504 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,1,0,0,0,0|2,0,0]=3 1505 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,1,0,0,0,0|1,0,0]=2 1506 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,1,0,0,0,0|1,1,0]=3 1507 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,1,0,0,0,0|3,0,0]=4 1508 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,1,0,0,0,0|3,0,0]=4 1509 B8R0.6 CCC(S)CCOCF fd9f97763905898c36d44cc90e7d0d91 [0,1,0,0,0,0|3,0,0]=4 1510 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,0,0,0,0|3,0,0]=4 1511 B8R0.6 CCCCCN(C)CF 8024733ae25e28b26397cb54377f95de [0,1,0,0,0,0|3,0,0]=4 1512 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,1,0,0,0,0|2,0,0]=3 1513 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,0,0,0,0|2,0,1]=4 1514 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,0,0,0,0|2,0,1]=4 1515 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,0,0,0,0|1,0,1]=3 1516 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,0,0,0,0|1,1,1]=4 1517 B8R0.6 CCCCNC(C)C#N d38915e3da40d7b69edc69cc021327b0 [0,1,0,0,0,0|2,0,1]=4 1518 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,1,0,0,0,0|1,0,2]=4 1519 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,1,0,0,0,0|2,0,0]=3 1520 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,1,0,0,0,0|1,0,0]=2 1521 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,1,0,0,0,0|2,0,0]=3 1522 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,1,0,0,0,0|1,0,0]=2 1523 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,1,0,0,0,0|1,0,2]=4 1524 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,1,0,0,0,0|2,0,0]=3 1525 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,1,0,0,0,0|1,0,0]=2 1526 B8R0.6 CCCCOC(C)C#N 7da6308c22e0ffbd26076a61b450c9cf [0,1,0,0,0,0|1,0,1]=3 1527 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,1,0,0,0,0|0,0,2]=3 1528 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,1,0,0,0,0|1,0,0]=2 1529 B8R0.6 CCCCOC(C)CF a8ece2c1a6b1bbd17ac97ecec5d3d5f9 [0,1,0,0,0,0|1,0,0]=2 1530 B8R0.6 CCCCOC(C)CS ae59cde7367219dda072a597238ebf81 [0,1,0,0,0,0|0,1,0]=2 1531 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,1,0,0,0,0|1,0,0]=2 1532 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,1,0,0,0,0|0,0,2]=3 1533 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,1,0,0,0,0|1,0,0]=2 1534 B8R0.6 CCCCO[C@H](C)CS 4909bf9ebce22969b4138fac2a65fc31 [0,1,0,0,0,0|0,1,0]=2 1535 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,0,0,0,0|2,0,1]=4 1537 B8R0.6 CCCNCC(Br)CBr d2a5ecd1bc3d122593813288dad63c81 [0,1,0,0,0,0|3,0,0]=4 1538 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,1,0,0,0,0|2,0,0]=3 1539 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,1,0,0,0,0|2,0,0]=3 1540 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,1,0,0,0,0|3,0,0]=4 1541 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,1,0,0,0,0|2,0,0]=3 1542 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,0,0,0,0|2,0,0]=3 1543 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,1,0,0,0,0|3,0,0]=4 1544 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,1,0,0,0,0|2,0,0]=3 1545 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,1,0,0,0,0|2,0,0]=3 1546 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,1,0,0,0,0|2,0,0]=3 1547 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,1,0,0,0,0|3,0,0]=4 1548 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,1,0,0,0,0|2,0,0]=3 1549 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,1,0,0,0,0|2,0,0]=3 1550 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,1,0,0,0,0|2,0,0]=3 1551 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,1,0,0,0,0|2,0,0]=3 1552 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,1,0,0,0,0|3,0,0]=4 1553 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,1,0,0,0,0|2,0,0]=3 1554 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,0,0,0,0|2,0,0]=3 1555 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,1,0,0,0,0|2,0,0]=3 1556 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,0,0,0,0|1,0,1]=3 1557 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,0,0,0,0|2,0,1]=4 1559 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [0,1,0,0,0,0|2,0,0]=3 1560 B8R0.6 CCCOCC(C)C#N 24a74f83c604589c98222d73335a0f81 [0,1,0,0,0,0|2,0,1]=4 1561 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,1,0,0,0,0|1,0,0]=2 1562 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,1,0,0,0,0|2,0,0]=3 1563 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [0,1,0,0,0,0|2,0,0]=3 1564 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,1,0,0,0,0|2,0,0]=3 1565 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [0,1,0,0,0,0|2,0,0]=3 1566 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,1,0,0,0,0|1,0,0]=2 1567 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,1,0,0,0,0|2,0,0]=3 1568 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,1,0,0,0,0|2,0,0]=3 1569 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,1,0,0,0,0|1,0,0]=2 1570 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,1,0,0,0,0|2,0,0]=3 1571 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,1,0,0,0,0|2,0,0]=3 1572 B8R0.6 CCN(C)CC#CCO ce356f3a3c0a763d09ead96378bcaf9f [0,1,0,0,0,0|2,0,1]=4 1573 B8R0.6 CCN(C)CCCCF 9cba963fe29e0e981772352c51d7f232 [0,1,0,0,0,0|3,0,0]=4 1574 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,1,0,0,0,0|2,0,0]=3 1575 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,1,0,0,0,0|3,0,0]=4 1576 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,1,0,0,0,0|2,0,0]=3 1577 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,1,0,0,0,0|2,0,0]=3 1578 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,1,0,0,0,0|2,0,0]=3 1579 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,1,0,0,0,0|3,0,0]=4 1580 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,1,0,0,0,0|3,0,0]=4 1581 B8R0.6 CCOCCN(C)CO b65808a1feae7a64adfe4a5fe7b8d2d1 [0,1,0,0,0,0|3,0,0]=4 1582 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,1,0,0,0,0|3,0,0]=4 1583 B8R0.6 CCOCNC(C)CC a50cfb6bab39a8e8ca1df13c044b9618 [0,1,0,0,0,0|3,0,0]=4 1584 B8R0.6 CCOCNC(C)CO 5ebcdf59239cfcc35f4b7f61ea4515b6 [0,1,0,0,0,0|2,0,0]=3 1585 B8R0.6 CCOCN[C@@H](C)CC eafd6067d8849e68d1c8e6372c09bb92 [0,1,0,0,0,0|3,0,0]=4 1586 B8R0.6 CCOCN[C@@H](C)CO 3158c0d2f8da9a26d663d5ea0a2a9bf3 [0,1,0,0,0,0|2,0,0]=3 1587 B8R0.6 CCOCN[C@H](C)CC 7124a0d463babe6fa7c8959fa3126e15 [0,1,0,0,0,0|3,0,0]=4 1588 B8R0.6 CCOCN[C@H](C)CO 4ab6995009caf0fe7f374102e397ab9f [0,1,0,0,0,0|2,0,0]=3 1589 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,1,0,0,0,0|1,0,2]=4 1590 B8R0.6 CC[C@@H](C)CNCC#N 46f3ee838ba03ddfe9442800288d553c [0,1,0,0,0,0|2,0,1]=4 1591 B8R0.6 CC[C@@H](C)CNCCBr 97d367e508fd39dc3ddcec44a8683cec [0,1,0,0,0,0|2,0,0]=3 1592 B8R0.6 CC[C@@H](C)CNCCF 371b9b1c5529111d353d598e0b5660cb [0,1,0,0,0,0|2,0,0]=3 1593 B8R0.6 CC[C@@H](C)CNCCI 32d54f8cdc3ec06753f18e3bb05477b7 [0,1,0,0,0,0|2,0,0]=3 1594 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,1,0,0,0,0|1,0,0]=2 1595 B8R0.6 CC[C@@H](C)CNCCS e87b39ea520a94f7427ff9e1f94a277c [0,1,0,0,0,0|1,1,0]=3 1596 B8R0.6 CC[C@@H](C)COCC#N 8fa996cd8d8551a2ddb878b9691ec871 [0,1,0,0,0,0|1,0,1]=3 1597 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,1,0,0,0,0|0,0,2]=3 1598 B8R0.6 CC[C@@H](C)COCCF e20d781119f6b53ffb68ed6751ccaab2 [0,1,0,0,0,0|1,0,0]=2 1599 B8R0.6 CC[C@@H](C)COCCS 234dff13be40377c551514da0380e41f [0,1,0,0,0,0|0,1,0]=2 1600 B8R0.6 CC[C@@H](C)COCOC a052b0577e11ad1f5f6decbf2a414fe8 [0,1,0,0,0,0|2,0,0]=3 1601 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,1,0,0,0,0|2,0,0]=3 1602 B8R0.6 CC[C@@H](C)NCCCF 5505371a202bfecabfd929226673cd4e [0,1,0,0,0,0|3,0,0]=4 1603 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,1,0,0,0,0|2,0,0]=3 1604 B8R0.6 CC[C@@H](C)NCCCS d018b350a4f6c69980561293a6f52a5a [0,1,0,0,0,0|2,1,0]=4 1605 B8R0.6 CC[C@@H](C)NCCOC 9bc6267f1aec0efa010d02896e34635b [0,1,0,0,0,0|3,0,0]=4 1606 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,1,0,0,0,0|3,0,0]=4 1607 B8R0.6 CC[C@@H](C)OCCC#N ce18d924e2de41f74db5a2beab4800ac [0,1,0,0,0,0|2,0,1]=4 1608 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,0,0,0,0|2,0,1]=4 1609 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,1,0,0,0,0|2,0,0]=3 1610 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,1,0,0,0,0|2,0,0]=3 1611 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,1,0,0,0,0|2,0,0]=3 1612 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,1,0,0,0,0|2,0,0]=3 1613 B8R0.6 CC[C@@H](O)CNCC#N 8dbda76dacee43b9f56b443d5bf51e10 [0,1,0,0,0,0|2,0,1]=4 1614 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,1,0,0,0,0|1,0,2]=4 1615 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,1,0,0,0,0|2,0,0]=3 1616 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,1,0,0,0,0|1,0,0]=2 1617 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,1,0,0,0,0|1,1,0]=3 1618 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,1,0,0,0,0|3,0,0]=4 1619 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,1,0,0,0,0|3,0,0]=4 1620 B8R0.6 CC[C@H](C)CCOCF 4b30d5d94bbbb4fdbcf22cabd2f557ea [0,1,0,0,0,0|3,0,0]=4 1621 B8R0.6 CC[C@H](C)CNCC#N fc06135c10662caeee07519834e6b41d [0,1,0,0,0,0|2,0,1]=4 1622 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,1,0,0,0,0|1,0,2]=4 1623 B8R0.6 CC[C@H](C)CNCCBr 2e85ca9af829ee3543f995580cf76d82 [0,1,0,0,0,0|2,0,0]=3 1624 B8R0.6 CC[C@H](C)CNCCF fd752c7a6560f165a21d0e39ed53ebde [0,1,0,0,0,0|2,0,0]=3 1625 B8R0.6 CC[C@H](C)CNCCI 26f262acafd0f04ce8a19af0b38e24de [0,1,0,0,0,0|2,0,0]=3 1626 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,1,0,0,0,0|1,0,0]=2 1627 B8R0.6 CC[C@H](C)CNCCS 8becd07c6bd7a230f4fc120a932c3696 [0,1,0,0,0,0|1,1,0]=3 1628 B8R0.6 CC[C@H](C)CNCOC 8d958d2c5c153e54d7b348639f09f01f [0,1,0,0,0,0|3,0,0]=4 1629 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,1,0,0,0,0|3,0,0]=4 1630 B8R0.6 CC[C@H](C)COCC#N ad9268c909205ad489dd435f4b2e0e66 [0,1,0,0,0,0|1,0,1]=3 1631 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,1,0,0,0,0|0,0,2]=3 1632 B8R0.6 CC[C@H](C)COCCF a3b7b17681d654662c51b9200aeead3e [0,1,0,0,0,0|1,0,0]=2 1633 B8R0.6 CC[C@H](C)COCCS 6e8b2990a3d1b06c800b4386782cc666 [0,1,0,0,0,0|0,1,0]=2 1634 B8R0.6 CC[C@H](C)COCOC c9deb84f6c5c3c42953d4555c52f366b [0,1,0,0,0,0|2,0,0]=3 1635 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,1,0,0,0,0|2,0,0]=3 1636 B8R0.6 CC[C@H](C)NCCCF d08d092d569ce6563951c753af4fb97c [0,1,0,0,0,0|3,0,0]=4 1637 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,1,0,0,0,0|2,0,0]=3 1638 B8R0.6 CC[C@H](C)NCCCS cdf23c371c67ce79e2901b4af058d9c9 [0,1,0,0,0,0|2,1,0]=4 1639 B8R0.6 CC[C@H](C)NCCOC 38a5269e53cebe3176cb690b2be4e7fa [0,1,0,0,0,0|3,0,0]=4 1640 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,1,0,0,0,0|3,0,0]=4 1641 B8R0.6 CC[C@H](C)OCCC#N 237a0d01f5b81cfb24d481cddb0f22b8 [0,1,0,0,0,0|2,0,1]=4 1642 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,0,0,0,0|2,0,1]=4 1643 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,1,0,0,0,0|2,0,0]=3 1644 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,1,0,0,0,0|2,0,0]=3 1645 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,1,0,0,0,0|2,0,0]=3 1646 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,1,0,0,0,0|2,0,0]=3 1647 B8R0.6 CN(CF)CCCCO 9cdee7e6fc3462a89ee4c09b4bdf06be [0,1,0,0,0,0|3,0,0]=4 1648 B8R0.6 CN(CO)CCCCO 95b34bd6810255fa2c6a80302969d8a4 [0,1,0,0,0,0|3,0,0]=4 1649 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,0,0,0,0|2,0,1]=4 1650 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,0,0,0,0|2,0,1]=4 1651 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,0,0,0,0|1,1,1]=4 1652 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,0,0,0,0|2,0,1]=4 1653 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,0,0,0,0|2,0,1]=4 1654 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,0,0,0,0|1,1,1]=4 1655 B8R0.6 COC(C)CNCCBr 343df0611702d315f20ba2f6e4b5d89e [0,1,0,0,0,0|3,0,0]=4 1656 B8R0.6 COC(C)CNCCF 10866d4849ed6a7df5091f46a6ea088f [0,1,0,0,0,0|3,0,0]=4 1657 B8R0.6 COC(C)CNCCI 8fad70571733b4fba11deb0bfcd773f8 [0,1,0,0,0,0|3,0,0]=4 1658 B8R0.6 COC(C)CNCCO 0f8da2fe020173b495a919bb7366dd98 [0,1,0,0,0,0|2,0,0]=3 1659 B8R0.6 COC(C)CNCCS f3b08876a57f08b549aea7a7a64ef627 [0,1,0,0,0,0|2,1,0]=4 1660 B8R0.6 COC(C)COCC#N 8240d980a818bd81abc574f09630053b [0,1,0,0,0,0|2,0,1]=4 1661 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,1,0,0,0,0|1,0,2]=4 1662 B8R0.6 COC(C)COCCF 5159862ff77079abf873c153601e6960 [0,1,0,0,0,0|2,0,0]=3 1663 B8R0.6 COC(C)COCCS 01eabf4ff56744b1f00192cd8f7d9372 [0,1,0,0,0,0|1,1,0]=3 1664 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,1,0,0,0,0|3,0,0]=4 1665 B8R0.6 COCCCN(C)CO a3856969af6f9c73d1fa163ffb103625 [0,1,0,0,0,0|3,0,0]=4 1666 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,1,0,0,0,0|2,0,1]=4 1667 B8R0.6 COCCNC(C)CO c390190648710b9656729f61660a1ea2 [0,1,0,0,0,0|2,0,0]=3 1668 B8R0.6 COCCN[C@@H](C)CO 31e33a95d7a54296089a78a2eec17cfa [0,1,0,0,0,0|2,0,0]=3 1669 B8R0.6 COCCN[C@H](C)CO 4149e644494b54610597168cd93a21bb [0,1,0,0,0,0|2,0,0]=3 1670 B8R0.6 COCCOC(C)C#N 58f40ce652cbda45e0cfc086af074a87 [0,1,0,0,0,0|2,0,1]=4 1671 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,1,0,0,0,0|1,0,2]=4 1672 B8R0.6 COCCOC(C)CF a2156770e90e7393f057d64d5cc2608d [0,1,0,0,0,0|2,0,0]=3 1673 B8R0.6 COCCOC(C)CS ea4c32bfc0f4d77a145474fd16da19d5 [0,1,0,0,0,0|1,1,0]=3 1674 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,1,0,0,0,0|1,0,2]=4 1675 B8R0.6 COCCO[C@H](C)CS df8f906fe7e4e6345d305aaf2f4edd82 [0,1,0,0,0,0|1,1,0]=3 1676 B8R0.6 COCNCC(C)CO 7a2e0eee430810ea3ea4debc59a5516e [0,1,0,0,0,0|3,0,0]=4 1677 B8R0.6 COCNCC(F)CO 3b1571ec76f3509c5f9d5c0eabd29d20 [0,1,0,0,0,0|3,0,0]=4 1678 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,1,0,0,0,0|3,0,0]=4 1679 B8R0.6 COCNC[C@@H](F)CO 24a7cd7c4d9540dc5eb1cd6d821cecec [0,1,0,0,0,0|3,0,0]=4 1680 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,1,0,0,0,0|3,0,0]=4 1681 B8R0.6 COCNC[C@H](C)CO 231f84dac728a289d40b3e3a902f7d0a [0,1,0,0,0,0|3,0,0]=4 1682 B8R0.6 COCNC[C@H](F)CO cc52652202198b860d51d84128ce61f2 [0,1,0,0,0,0|3,0,0]=4 1683 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,1,0,0,0,0|3,0,0]=4 1684 B8R0.6 COCOCC(Br)CBr 87c9b631d9527a8c8bd637dd60d6b5f9 [0,1,0,0,0,0|3,0,0]=4 1685 B8R0.6 COCOCC(C)OC c05c58edc019f9219269006f32e8e653 [0,1,0,0,0,0|3,0,0]=4 1686 B8R0.6 COCOCC(Cl)CCl 35f58c0bec46ec0e2422d96a75526980 [0,1,0,0,0,0|3,0,0]=4 1687 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,1,0,0,0,0|3,0,0]=4 1688 B8R0.6 COCOCC(S)CS f17f16d80987cd04bdc68a88a7723551 [0,1,0,0,0,0|3,0,0]=4 1689 B8R0.6 COCOC[C@@H](C)OC de9e91a19b19de64061abe48af26aa5f [0,1,0,0,0,0|3,0,0]=4 1690 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,1,0,0,0,0|3,0,0]=4 1691 B8R0.6 COCOC[C@H](C)OC ad233134d7aadab353a6532bf99fe148 [0,1,0,0,0,0|3,0,0]=4 1692 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,1,0,0,0,0|3,0,0]=4 1693 B8R0.6 CO[C@@H](C)CNCCBr 575520c7f8c5474ebd1a904f097eda0b [0,1,0,0,0,0|3,0,0]=4 1694 B8R0.6 CO[C@@H](C)CNCCF aee6edb2eb80cfeeadac0acf7e33fac1 [0,1,0,0,0,0|3,0,0]=4 1695 B8R0.6 CO[C@@H](C)CNCCI b65ec83d63f1e1893ea7f614e7bae64a [0,1,0,0,0,0|3,0,0]=4 1696 B8R0.6 CO[C@@H](C)CNCCO bdc5af120e21fed0e9f5ff90640d6138 [0,1,0,0,0,0|2,0,0]=3 1697 B8R0.6 CO[C@@H](C)CNCCS a5e9464e04656120c787441fd79c0eab [0,1,0,0,0,0|2,1,0]=4 1698 B8R0.6 CO[C@@H](C)COCC#N abda9022ba5c012eb5ef62e1faafdff4 [0,1,0,0,0,0|2,0,1]=4 1699 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,1,0,0,0,0|1,0,2]=4 1700 B8R0.6 CO[C@@H](C)COCCF 9de32b5c20f229d509647aa46de5af21 [0,1,0,0,0,0|2,0,0]=3 1701 B8R0.6 CO[C@@H](C)COCCS ba23216a89cb693c1a306650cc6ad1f9 [0,1,0,0,0,0|1,1,0]=3 1702 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,1,0,0,0,0|3,0,0]=4 1703 B8R0.6 CO[C@H](C)CNCCBr 569141d3b7c9c39130902631da0de609 [0,1,0,0,0,0|3,0,0]=4 1704 B8R0.6 CO[C@H](C)CNCCF 1d79eaee53d341a8b7c0bca1964a4b8b [0,1,0,0,0,0|3,0,0]=4 1705 B8R0.6 CO[C@H](C)CNCCI ef50295858d4acfee43909b511e6075c [0,1,0,0,0,0|3,0,0]=4 1706 B8R0.6 CO[C@H](C)CNCCO eb0d14126ad888b1d3378c286328a08a [0,1,0,0,0,0|2,0,0]=3 1707 B8R0.6 CO[C@H](C)CNCCS aba97d35ef4ac3709331e9b6c733191d [0,1,0,0,0,0|2,1,0]=4 1708 B8R0.6 CO[C@H](C)COCC#N 9da91f63ca03b83f4e035ffe557a4a82 [0,1,0,0,0,0|2,0,1]=4 1709 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,1,0,0,0,0|1,0,2]=4 1710 B8R0.6 CO[C@H](C)COCCF 331b775553b628c61f60475d9f4716e1 [0,1,0,0,0,0|2,0,0]=3 1711 B8R0.6 CO[C@H](C)COCCS a0b19a1c6390e25349d6d4b4dc06403c [0,1,0,0,0,0|1,1,0]=3 1712 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,1,0,0,0,0|3,0,0]=4 1713 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,1,0,0,0,0|2,0,1]=4 1714 B8R0.6 CSCCNC(C)CO eb710b0198f2b39e52336e903ad250ef [0,1,0,0,0,0|2,0,0]=3 1715 B8R0.6 CSCCN[C@@H](C)CO cfc28bd1fda6abe13c274ff1bd20f592 [0,1,0,0,0,0|2,0,0]=3 1716 B8R0.6 CSCCN[C@H](C)CO c317f5fd9170c648d9158d4d47f133a4 [0,1,0,0,0,0|2,0,0]=3 1717 B8R0.6 CSCCOC(C)C#N c5ba914c2c140691a18365318003996d [0,1,0,0,0,0|2,0,1]=4 1718 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,1,0,0,0,0|1,0,2]=4 1719 B8R0.6 CSCCOC(C)CF cfea21c2c3a8ac30e164d25c20f02c33 [0,1,0,0,0,0|2,0,0]=3 1720 B8R0.6 CSCCOC(C)CS 8386082942f103927006a77e294cb463 [0,1,0,0,0,0|1,1,0]=3 1721 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,1,0,0,0,0|1,0,2]=4 1722 B8R0.6 CSCCO[C@H](C)CS c98ed2c9a664a9fb40a680980ae3c969 [0,1,0,0,0,0|1,1,0]=3 1723 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,1,0,0,0,0|3,0,0]=4 1724 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,1,0,0,0,0|3,0,0]=4 1725 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,1,0,0,0,0|3,0,0]=4 1726 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,1,0,0,0,0|3,0,0]=4 1727 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,1,0,0,0,0|3,0,0]=4 1728 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,1,0,0,0,0|3,0,0]=4 1729 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,1,0,0,0,0|3,0,0]=4 1730 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,1,0,0,0,0|3,0,0]=4 1731 B8R0.6 CSCOCC(Br)CBr a2fab75acbb791d2a16fcbb635320e10 [0,1,0,0,0,0|3,0,0]=4 1732 B8R0.6 CSCOCC(Cl)CCl 675e921c03947d0d7d6759cc9d92c669 [0,1,0,0,0,0|3,0,0]=4 1733 B8R0.6 CSCOCC(S)CS 274fc9d3a3e01ec8bbe80140e4745922 [0,1,0,0,0,0|3,0,0]=4 1734 B8R0.6 C[C@@H](CO)CCNCF 3210926d329af58818ccb69287cbc51b [0,1,0,0,0,0|3,0,0]=4 1735 B8R0.6 C[C@@H](CO)CCNCO ff87c146d1d5bb26efd73e902a99fe58 [0,1,0,0,0,0|3,0,0]=4 1736 B8R0.6 C[C@@H](CO)CNCCBr d50c5d51afa5943537be1cc5a65b13a8 [0,1,0,0,0,0|3,0,0]=4 1737 B8R0.6 C[C@@H](CO)CNCCF 3c604134a748abd2f2f86e254315e04a [0,1,0,0,0,0|3,0,0]=4 1738 B8R0.6 C[C@@H](CO)CNCCI dede1b94588103839adb40049889bb5d [0,1,0,0,0,0|3,0,0]=4 1739 B8R0.6 C[C@@H](CO)CNCCO 9af5b268cdbbb48fe80cc31700cfc4a2 [0,1,0,0,0,0|2,0,0]=3 1740 B8R0.6 C[C@@H](CO)CNCCS 83b8105b81b35043285dd51f7cdbc743 [0,1,0,0,0,0|2,1,0]=4 1741 B8R0.6 C[C@@H](CO)NCCC#N 9b47ca7037a39fa2cb70b95347a732ad [0,1,0,0,0,0|2,0,1]=4 1742 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,1,0,0,0,0|2,0,1]=4 1743 B8R0.6 C[C@@H](CO)NCCCCl a6ec4ecbbee7732eecc2142389b09ab9 [0,1,0,0,0,0|2,0,0]=3 1744 B8R0.6 C[C@@H](CO)NCCCF 31cf9f118cf1a14935561884c7390a5c [0,1,0,0,0,0|2,0,0]=3 1745 B8R0.6 C[C@@H](CO)NCCCO 6461b70f844a39969873e06a3571a000 [0,1,0,0,0,0|2,0,0]=3 1746 B8R0.6 C[C@@H](CO)NCCCS 1a9d4e91723411ccd622ff9972062908 [0,1,0,0,0,0|2,0,0]=3 1747 B8R0.6 C[C@@H](CO)NCCON b86e4490bea9c251fcfbdabf7ccd65e7 [0,1,0,0,0,0|3,0,0]=4 1748 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,1,0,0,0,0|1,0,2]=4 1749 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,1,0,0,0,0|1,0,2]=4 1750 B8R0.6 C[C@H](CO)CNCCBr 4b0b7fe680b6c331915fa2277d8376d4 [0,1,0,0,0,0|3,0,0]=4 1751 B8R0.6 C[C@H](CO)CNCCF e9a6aeb3654dc0602a6d1f17983b36d4 [0,1,0,0,0,0|3,0,0]=4 1752 B8R0.6 C[C@H](CO)CNCCI b4abad2c74077a8495cda50f2e51cd04 [0,1,0,0,0,0|3,0,0]=4 1753 B8R0.6 C[C@H](CO)CNCCO b2b4657fd14e0249f6aeb2840e730b6b [0,1,0,0,0,0|2,0,0]=3 1754 B8R0.6 C[C@H](CO)CNCCS be5c40b1ea1bff877fe6e3aade52274e [0,1,0,0,0,0|2,1,0]=4 1755 B8R0.6 C[C@H](CO)NCCC#N c416f9db40fb35291b905d89100c1a10 [0,1,0,0,0,0|2,0,1]=4 1756 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,1,0,0,0,0|2,0,1]=4 1757 B8R0.6 C[C@H](CO)NCCCCl 0659f39184bb25db88c7e15cb4100ad3 [0,1,0,0,0,0|2,0,0]=3 1758 B8R0.6 C[C@H](CO)NCCCF 4d6f15b96ddc97660fdd9cec9ddf4d83 [0,1,0,0,0,0|2,0,0]=3 1759 B8R0.6 C[C@H](CO)NCCCO 0891af69e95a2685b6435db9477f8286 [0,1,0,0,0,0|2,0,0]=3 1760 B8R0.6 C[C@H](CO)NCCCS 37fda87e44e17ab9f7aa84f9ecc716ff [0,1,0,0,0,0|2,0,0]=3 1761 B8R0.6 C[C@H](CO)NCCON 9e9795d5252b395a47b49b9a4ae93e12 [0,1,0,0,0,0|3,0,0]=4 1762 B8R0.6 C[C@H](CS)OCCC#N 7c6d32f8c05e6a15c205dabfa4614d95 [0,1,0,0,0,0|1,1,1]=4 1763 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,1,0,0,0,0|1,1,1]=4 1764 B8R0.6 C[C@H](CS)OCCCF e2ee96d3276f25df16f3a0724a4ee883 [0,1,0,0,0,0|1,1,0]=3 1765 B8R0.6 C[C@H](CS)OCCCS 990b0ef1b0cf96f2920a685aa0f3736d [0,1,0,0,0,0|1,1,0]=3 1766 B8R0.6 FCCNCC(Br)CBr e8b1e39a7c3392068255217046ef4aab [0,1,0,0,0,0|3,0,0]=4 1767 B8R0.6 FCCOCC(Br)CBr 6d2e6860fe7522566e65234908b8b77b [0,1,0,0,0,0|2,0,0]=3 1768 B8R0.6 FCCOCC(Cl)CCl 7142b37859afa5eccc7a2ad66282c91e [0,1,0,0,0,0|2,0,0]=3 1769 B8R0.6 FCCOCC(S)CS 4ec9c682e94610e2acbee9ae0dd46bbe [0,1,0,0,0,0|2,0,0]=3 1770 B8R0.6 N#CCOCC(Br)CBr bc64d735c36df62dba130b3a4c1a639a [0,1,0,0,0,0|2,0,1]=4 1771 B8R0.6 N#CCOCC(Cl)CCl 7f183853fefaada51cba11546512d4fd [0,1,0,0,0,0|2,0,1]=4 1772 B8R0.6 N#CCOCC(O)CO b3b22fcca695269b0db2a330b9c3babe [0,1,0,0,0,0|2,0,1]=4 1773 B8R0.6 N#CCOCC(S)CS 116e8f2680efc4e06aa15812f7371284 [0,1,0,0,0,0|2,0,1]=4 1774 B8R0.6 N#CCOC[C@@H](O)CO 11730865a433a6601519569a795a8da1 [0,1,0,0,0,0|2,0,1]=4 1775 B8R0.6 N#CCOC[C@H](O)CO 95f0b5edb14795dd9007d43e3cea65d0 [0,1,0,0,0,0|2,0,1]=4 1776 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,1,0,0,0,0|2,0,1]=4 1777 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,0,0,0,0|2,0,1]=4 1778 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,0,0,0,0|2,0,1]=4 1779 B8R0.6 O=CCOCC(Br)CBr aae332e0e58a483c7a378575c78ea8c6 [0,1,0,0,0,0|1,0,2]=4 1780 B8R0.6 O=CCOCC(Cl)CCl 6c5deed46908ce8b01b3167bdc1c4832 [0,1,0,0,0,0|1,0,2]=4 1781 B8R0.6 O=CCOCC(S)CS bd94fe95bf66dc42f5eb22995ef59c1b [0,1,0,0,0,0|1,0,2]=4 1782 B8R0.6 OC(CF)CNCCBr e2c1408e25a44b6932edb2be746900e3 [0,1,0,0,0,0|3,0,0]=4 1783 B8R0.6 OC(CF)CNCCF c225cb98c86411ffda99f751f7b49303 [0,1,0,0,0,0|3,0,0]=4 1784 B8R0.6 OC(CF)CNCCI f15bd7c7d12035ee4db1d06a44e576a8 [0,1,0,0,0,0|3,0,0]=4 1785 B8R0.6 OC(CF)CNCCS 748ff82e8c92c38cb89a0edd56be368e [0,1,0,0,0,0|2,1,0]=4 1786 B8R0.6 OCC(F)CNCCF 47b25da389d463b01b79a9fdcc81a66d [0,1,0,0,0,0|3,0,0]=4 1787 B8R0.6 OCC(F)CNCCS 08d2169dfc97c42d68c7254ebcc0d01e [0,1,0,0,0,0|2,1,0]=4 1788 B8R0.6 OCC(O)CCNCF 6ae225196f47d62edfde75946a275dce [0,1,0,0,0,0|3,0,0]=4 1789 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,1,0,0,0,0|3,0,0]=4 1790 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,1,0,0,0,0|3,0,0]=4 1791 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,1,0,0,0,0|3,0,0]=4 1792 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,1,0,0,0,0|2,1,0]=4 1793 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,1,0,0,0,0|2,0,0]=3 1794 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,1,0,0,0,0|1,1,0]=3 1795 B8R0.6 OCCNCC(Br)CBr b5ebf233541fc75829e07f045114bc88 [0,1,0,0,0,0|2,0,0]=3 1796 B8R0.6 OCCNCC(F)CO c49eba70ba235443a64b3fdb137219cd [0,1,0,0,0,0|2,0,0]=3 1797 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,1,0,0,0,0|2,0,0]=3 1798 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,1,0,0,0,0|2,0,0]=3 1799 B8R0.6 OCCNC[C@@H](F)CO f0a8569733061565e77df74ca5d97b0a [0,1,0,0,0,0|2,0,0]=3 1800 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,1,0,0,0,0|2,0,0]=3 1801 B8R0.6 OCCNC[C@H](F)CO 97f3758f135f3ad80a6e4096fcc72261 [0,1,0,0,0,0|2,0,0]=3 1802 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,1,0,0,0,0|2,0,0]=3 1803 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,1,0,0,0,0|3,0,0]=4 1804 B8R0.6 OC[C@@H](F)CNCCF 71fdee11ded3c4308f379d61e33e03eb [0,1,0,0,0,0|3,0,0]=4 1805 B8R0.6 OC[C@@H](F)CNCCS 05424800e1306ed275f6467a9d4080a1 [0,1,0,0,0,0|2,1,0]=4 1806 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,1,0,0,0,0|3,0,0]=4 1807 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,1,0,0,0,0|3,0,0]=4 1808 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,1,0,0,0,0|3,0,0]=4 1809 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,1,0,0,0,0|2,1,0]=4 1810 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,1,0,0,0,0|2,0,0]=3 1811 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,1,0,0,0,0|1,1,0]=3 1812 B8R0.6 OC[C@H](F)CNCCF bbf8bd99395ca1e217b9e444b50f1808 [0,1,0,0,0,0|3,0,0]=4 1813 B8R0.6 OC[C@H](F)CNCCS 034ceb360b46caf7d721809f49ad431a [0,1,0,0,0,0|2,1,0]=4 1814 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,1,0,0,0,0|3,0,0]=4 1815 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,1,0,0,0,0|3,0,0]=4 1816 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,1,0,0,0,0|3,0,0]=4 1817 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,1,0,0,0,0|2,1,0]=4 1818 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,1,0,0,0,0|2,0,0]=3 1819 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,1,0,0,0,0|1,1,0]=3 1820 B8R0.6 SCCNCC(Br)CBr 9ed33fdcb24a9acffaeb733be16b7efa [0,1,0,0,0,0|2,1,0]=4 1821 B8R0.6 SCCOCC(Br)CBr 80af8264d0197403f6a4944cda5f4578 [0,1,0,0,0,0|1,1,0]=3 1822 B8R0.6 SCCOCC(Cl)CCl 85ad2e9043e374390aafa48702bcb4e4 [0,1,0,0,0,0|1,1,0]=3 1823 B8R0.6 SCCOCC(S)CS 2c1d094a40d38712c08151d1824e884b [0,1,0,0,0,0|1,1,0]=3 1824 B8R0.7 C#CCCNCC(C)O 450df4b466845ab16a8023c6c8a1abb8 [0,1,0,0,0,0|1,0,2]=4 1825 B8R0.7 C#CCCNC[C@@H](C)O 6a7d217dec6552161d289050b209ddaa [0,1,0,0,0,0|1,0,2]=4 1826 B8R0.7 C#CCCNC[C@H](C)O 062bcd7e93df504ee56c8e19e7153d09 [0,1,0,0,0,0|1,0,2]=4 1827 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,1,0,0,0,0|0,0,3]=4 1828 B8R0.7 C#CCCOCC(C)C aefb6ad98935f0a63d573e49cded9a56 [0,1,0,0,0,0|1,0,2]=4 1829 B8R0.7 C#CCCOCC(C)F f28424332fd6c2ee6158a5ffe89f8734 [0,1,0,0,0,0|1,0,2]=4 1830 B8R0.7 C#CCCOCC(C)S 0e064f915d3f1725eeec09a3981f204b [0,1,0,0,0,0|0,1,2]=4 1831 B8R0.7 C#CCCOCC(F)F ab994138ce5ad7a47f807a20be037da7 [0,1,0,0,0,0|1,0,2]=4 1832 B8R0.7 C#CCCOCS(=O)O 52a9dad7e56965cb03c5b726910557ba [0,1,0,0,0,0|1,0,2]=4 1833 B8R0.7 C#CCCOC[C@@H](C)F 9fcc4530e4ffde82f82cda7a405e4084 [0,1,0,0,0,0|1,0,2]=4 1834 B8R0.7 C#CCCOC[C@H](C)F 1d24cc8204449c650798b65df65924d9 [0,1,0,0,0,0|1,0,2]=4 1835 B8R0.7 C#CCNCCC(C)C 4a1ee3a8656fbdaeac93a06a821c9369 [0,1,0,0,0,0|2,0,1]=4 1836 B8R0.7 C#CCNCCC(C)O 82c98b254385bb322da160907d65ecd9 [0,1,0,0,0,0|2,0,1]=4 1837 B8R0.7 C#CCNCC[C@@H](C)O 0fa02f77629f17beb07e4bd6eb60821d [0,1,0,0,0,0|2,0,1]=4 1838 B8R0.7 C#CCNCC[C@H](C)O a3b8ab56f85174b419bff3ab36fb6802 [0,1,0,0,0,0|2,0,1]=4 1839 B8R0.7 C#CCOCCC(=C)C 8465c8347aac61c16c2dca184b082e68 [0,1,0,0,0,0|1,0,2]=4 1840 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,1,0,0,0,0|1,0,2]=4 1841 B8R0.7 C#CCOCCC(C)C d72bb51363c8e7ca5e67fd11d4f99fea [0,1,0,0,0,0|1,0,1]=3 1842 B8R0.7 C#CCOCCC(F)F 2755bbf1150b4915d1a56641257292db [0,1,0,0,0,0|2,0,1]=4 1843 B8R0.7 C#CCOCCN(C)C f5eca266cf60b69ef6074ece837e31d1 [0,1,0,0,0,0|2,0,1]=4 1844 B8R0.7 C#CCOCCS(=O)C e6c9b44272986f7de407f310569719ec [0,1,0,0,0,0|2,0,1]=4 1845 B8R0.7 C#CCOCOC(C)C e026053c39d1a6654bd0a45d15bcdbca [0,1,0,0,0,0|2,0,1]=4 1846 B8R0.7 C/C(=C/CNCCO)/I e7788fa36159fd206e0a3b27854cfd27 [0,1,0,0,0,0|1,0,2]=4 1847 B8R0.7 C/C(=C/COCCF)/Cl 45ef213c0104fff90a3f6d28a1f0e29a [0,1,0,0,0,0|1,0,2]=4 1848 B8R0.7 C/C(=C/COCCF)/I 042a42c76f4e8e1fb7b58c4066aedb74 [0,1,0,0,0,0|1,0,2]=4 1849 B8R0.7 C/C(=C/COCCS)/Cl 260d9696b0858bc3abcf7ecf18022758 [0,1,0,0,0,0|0,1,2]=4 1850 B8R0.7 C/C(=C/COCCS)/I d68be6062c7331a08f09e4bb2d37c016 [0,1,0,0,0,0|0,1,2]=4 1851 B8R0.7 C/C(=C\CNCCO)/Cl 49bb7565d9837c47c95956eb00cdffbb [0,1,0,0,0,0|1,0,2]=4 1852 B8R0.7 C/C(=C\COCCF)/Cl aa255d11ff0e6864052934184ef85b5f [0,1,0,0,0,0|1,0,2]=4 1853 B8R0.7 C/C(=C\COCCS)/Cl c5264dc5b9239e0d844a87db9bcb0100 [0,1,0,0,0,0|0,1,2]=4 1854 B8R0.7 C/C=C/CNCC(C)O 706b7ee4e3f651c4ef21af8a02fff587 [0,1,0,0,0,0|1,0,2]=4 1855 B8R0.7 C/C=C/CNC[C@@H](C)O 9cc88730a7b6c5f02a9d2f5e6f67c4e4 [0,1,0,0,0,0|1,0,2]=4 1856 B8R0.7 C/C=C/CNC[C@H](C)O 1acf4707ce0333163ff659136cf2b6da [0,1,0,0,0,0|1,0,2]=4 1857 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,1,0,0,0,0|0,0,3]=4 1858 B8R0.7 C/C=C/COCC(C)C 8ec13cf40c3b90303310083630c7b896 [0,1,0,0,0,0|1,0,2]=4 1859 B8R0.7 C/C=C/COCC(C)F ebe92918946b5362eeffb3e55898afbb [0,1,0,0,0,0|1,0,2]=4 1860 B8R0.7 C/C=C/COCC(C)S 8e8973113b1397a535a954dfe3c320de [0,1,0,0,0,0|0,1,2]=4 1861 B8R0.7 C/C=C/COCC(F)F e181f0fae870701de637c59593500a13 [0,1,0,0,0,0|1,0,2]=4 1862 B8R0.7 C/C=C/COCS(=O)O 8f948a2ea386382c9b970dc6d7543956 [0,1,0,0,0,0|1,0,2]=4 1863 B8R0.7 C/C=C/COC[C@@H](C)F 79a0f1cbef4e38fddf1fc3dca07a8333 [0,1,0,0,0,0|1,0,2]=4 1864 B8R0.7 C/C=C/COC[C@H](C)F e710ce911a4ca8c541ec93593a832605 [0,1,0,0,0,0|1,0,2]=4 1865 B8R0.7 C/C=C\CNCC(C)O 4872f4c901dc8cc56679a0801ea5fa82 [0,1,0,0,0,0|1,0,2]=4 1866 B8R0.7 C/C=C\CNC[C@@H](C)O 8a926f9e7738c9540aa2a6d2f41bc645 [0,1,0,0,0,0|1,0,2]=4 1867 B8R0.7 C/C=C\CNC[C@H](C)O adad592ebec3ffb5ca56dd53da3fb565 [0,1,0,0,0,0|1,0,2]=4 1868 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,1,0,0,0,0|0,0,3]=4 1869 B8R0.7 C/C=C\COCC(C)C 42b0314d12dbacaee541d6c376041c6f [0,1,0,0,0,0|1,0,2]=4 1870 B8R0.7 C/C=C\COCC(C)F c7143011edad08c16487474eaba53422 [0,1,0,0,0,0|1,0,2]=4 1871 B8R0.7 C/C=C\COCC(C)S 4bf0411906ee0512ed3486d6dac5f474 [0,1,0,0,0,0|0,1,2]=4 1872 B8R0.7 C/C=C\COCC(F)F f4405df854c999b404e11e31310531cd [0,1,0,0,0,0|1,0,2]=4 1873 B8R0.7 C/C=C\COCS(=O)O 4b2a40c27272c651830af668304424f7 [0,1,0,0,0,0|1,0,2]=4 1874 B8R0.7 C/C=C\COC[C@@H](C)F a434b2463c646a37ca10d8f24a529042 [0,1,0,0,0,0|1,0,2]=4 1875 B8R0.7 C/C=C\COC[C@H](C)F 34a95152c8e535d9bdf375ae3116b80c [0,1,0,0,0,0|1,0,2]=4 1876 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,1,0,0,0,0|1,0,2]=4 1877 B8R0.7 C=C(Br)CCOCCF 9c9798a7b43efb90b886758df6a738de [0,1,0,0,0,0|1,0,2]=4 1878 B8R0.7 C=C(Br)CCOCCS 48b875edf0fb524e953a85b596cbf8dd [0,1,0,0,0,0|0,1,2]=4 1879 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,1,0,0,0,0|2,0,1]=4 1880 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,1,0,0,0,0|1,0,1]=3 1881 B8R0.7 C=C(Br)COCCCF 485710d025a81dcbbf1b6346554cf146 [0,1,0,0,0,0|2,0,1]=4 1882 B8R0.7 C=C(Br)COCCCS fe1c867f52f3b335087c547702385f29 [0,1,0,0,0,0|2,0,1]=4 1883 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [0,1,0,0,0,0|2,0,1]=4 1884 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,1,0,0,0,0|2,0,1]=4 1885 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,1,0,0,0,0|2,0,1]=4 1886 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,1,0,0,0,0|2,0,1]=4 1887 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,1,0,0,0,0|2,0,1]=4 1888 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,1,0,0,0,0|2,0,1]=4 1889 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,1,0,0,0,0|1,0,1]=3 1890 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,1,0,0,0,0|1,1,1]=4 1891 B8R0.7 C=C(C)CCOCC#N d9760b9359a70896008865ac96cce842 [0,1,0,0,0,0|1,0,2]=4 1892 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,1,0,0,0,0|0,0,3]=4 1893 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,1,0,0,0,0|1,0,1]=3 1894 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,1,0,0,0,0|1,0,1]=3 1895 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,1,0,0,0,0|0,1,1]=3 1896 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,1,0,0,0,0|2,0,1]=4 1897 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,1,0,0,0,0|2,0,1]=4 1898 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,1,0,0,0,0|2,0,1]=4 1899 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,1,0,0,0,0|2,0,1]=4 1900 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,1,0,0,0,0|1,0,1]=3 1901 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,1,0,0,0,0|2,0,1]=4 1902 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,1,0,0,0,0|2,0,1]=4 1903 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,1,0,0,0,0|2,0,1]=4 1904 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,1,0,0,0,0|2,0,1]=4 1905 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [0,1,0,0,0,0|2,0,1]=4 1906 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,1,0,0,0,0|2,0,1]=4 1907 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,1,0,0,0,0|1,0,1]=3 1908 B8R0.7 C=C(Cl)COCCCF df0ebcd5a5ec043e11fa10511cec886d [0,1,0,0,0,0|2,0,1]=4 1909 B8R0.7 C=C(Cl)COCCCS 7160b6ab4d2287624a72daa9ac553ab9 [0,1,0,0,0,0|2,0,1]=4 1910 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [0,1,0,0,0,0|2,0,1]=4 1911 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,1,0,0,0,0|2,0,1]=4 1912 B8R0.7 C=C(Cl)COCOCC c9236da3ba1778fd40c20ee616eee0fa [0,1,0,0,0,0|2,0,1]=4 1913 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,1,0,0,0,0|2,0,1]=4 1914 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,1,0,0,0,0|1,0,1]=3 1915 B8R0.7 C=C(F)COCCCF ed746bbd677565603e8ef1e29192c14e [0,1,0,0,0,0|2,0,1]=4 1916 B8R0.7 C=C(F)COCCCS 4276a5a15f1500b7d0fe0d36afab567a [0,1,0,0,0,0|2,0,1]=4 1917 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [0,1,0,0,0,0|2,0,1]=4 1918 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,1,0,0,0,0|2,0,1]=4 1919 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,1,0,0,0,0|1,0,1]=3 1920 B8R0.7 C=C(I)COCCCF 98b86b232aa85ec97d29d3e3c401b763 [0,1,0,0,0,0|2,0,1]=4 1921 B8R0.7 C=C(I)COCCCS b6d1e77e6cd735be750b12b13ee107c1 [0,1,0,0,0,0|2,0,1]=4 1922 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [0,1,0,0,0,0|2,0,1]=4 1923 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,1,0,0,0,0|2,0,1]=4 1924 B8R0.7 C=C(I)COCOCC b942b2ec49271bb9aab579dd8a171d5c [0,1,0,0,0,0|2,0,1]=4 1925 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [0,1,0,0,0,0|1,0,2]=4 1926 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [0,1,0,0,0,0|1,0,2]=4 1927 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [0,1,0,0,0,0|1,0,2]=4 1928 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,1,0,0,0,0|0,0,3]=4 1929 B8R0.7 C=CCCOCC(C)C f8f56569331f47ab6b85f26977d0706c [0,1,0,0,0,0|1,0,2]=4 1930 B8R0.7 C=CCCOCC(C)F 35268cb4c3d8d39c50e552ba36723a50 [0,1,0,0,0,0|1,0,2]=4 1931 B8R0.7 C=CCCOCC(C)S 0b13fb2271dc81ae4874cca9b955c6d8 [0,1,0,0,0,0|0,1,2]=4 1932 B8R0.7 C=CCCOCC(F)F 6260197839e9b0bd53c38105376f5ce4 [0,1,0,0,0,0|1,0,2]=4 1933 B8R0.7 C=CCCOCS(=O)O 5d59a515ca3d25853f48deb4680da2af [0,1,0,0,0,0|1,0,2]=4 1934 B8R0.7 C=CCCOC[C@@H](C)F 33ed1a4a48834dadd0ef0c94077124ed [0,1,0,0,0,0|1,0,2]=4 1935 B8R0.7 C=CCCOC[C@H](C)F f03681ee0a33fbb7ce4605edeb70867a [0,1,0,0,0,0|1,0,2]=4 1936 B8R0.7 C=CCNCCC(C)C 02f8ade1f1fe2a42fcd16f311d553eac [0,1,0,0,0,0|2,0,1]=4 1937 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [0,1,0,0,0,0|2,0,1]=4 1938 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [0,1,0,0,0,0|2,0,1]=4 1939 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [0,1,0,0,0,0|2,0,1]=4 1940 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,1,0,0,0,0|1,0,2]=4 1941 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,0,0,0,0|1,0,2]=4 1942 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [0,1,0,0,0,0|1,0,1]=3 1943 B8R0.7 C=CCOCCC(F)F b5e1a9f7594fe176cf88dcb350f843cd [0,1,0,0,0,0|2,0,1]=4 1944 B8R0.7 C=CCOCCN(C)C 396f0cb9f4d9139b3793f0355979ea47 [0,1,0,0,0,0|2,0,1]=4 1945 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [0,1,0,0,0,0|2,0,1]=4 1946 B8R0.7 CC#CCNCC(C)O c753d14cd59903900334c20a9cf477a8 [0,1,0,0,0,0|1,0,2]=4 1947 B8R0.7 CC#CCNC[C@@H](C)O a2c919e7a256e9def9f260c4bebc6ef1 [0,1,0,0,0,0|1,0,2]=4 1948 B8R0.7 CC#CCNC[C@H](C)O 7b3b674161b5e3b015d7d33194233d57 [0,1,0,0,0,0|1,0,2]=4 1949 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,1,0,0,0,0|0,0,3]=4 1950 B8R0.7 CC#CCOCC(C)C ca6ddf297cc9aeccfc61a61cddd6afd3 [0,1,0,0,0,0|1,0,2]=4 1951 B8R0.7 CC#CCOCC(F)F f4ff92890d11e86452ba999ed7a5db47 [0,1,0,0,0,0|1,0,2]=4 1952 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,1,0,0,0,0|1,0,2]=4 1953 B8R0.7 CC(=CCNCCO)Cl 2ee9ba9ff7c8b9d705daa10c68d79bd1 [0,1,0,0,0,0|1,0,2]=4 1954 B8R0.7 CC(=CCNCCO)I 9067fd97739f8e67fe2797cc7f12cf31 [0,1,0,0,0,0|1,0,2]=4 1955 B8R0.7 CC(=CCOCCF)C baef75cf43465ef5950ad88174f89600 [0,1,0,0,0,0|1,0,2]=4 1956 B8R0.7 CC(=CCOCCF)Cl faa2570e2fec376527d4f1d2cd61f8aa [0,1,0,0,0,0|1,0,2]=4 1957 B8R0.7 CC(=CCOCCF)I 63452976e3209b22b29b3606f87aa1fd [0,1,0,0,0,0|1,0,2]=4 1958 B8R0.7 CC(=CCOCCS)C c228681256606d28ce887dbb3a23c933 [0,1,0,0,0,0|0,1,2]=4 1959 B8R0.7 CC(=CCOCCS)Cl e1c819c21855fbe04ebffdaa74e47d9e [0,1,0,0,0,0|0,1,2]=4 1960 B8R0.7 CC(=CCOCCS)I ffdcf7e0ea2b02f8bd914eab49d2ab76 [0,1,0,0,0,0|0,1,2]=4 1961 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,1,0,0,0,0|2,0,1]=4 1962 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,1,0,0,0,0|2,0,1]=4 1963 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,1,0,0,0,0|2,0,1]=4 1964 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,1,0,0,0,0|1,0,1]=3 1965 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,1,0,0,0,0|1,1,1]=4 1966 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,1,0,0,0,0|1,0,2]=4 1967 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,1,0,0,0,0|0,0,3]=4 1968 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,1,0,0,0,0|1,0,1]=3 1969 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,1,0,0,0,0|0,1,1]=3 1970 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,1,0,0,0,0|2,0,1]=4 1971 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,1,0,0,0,0|1,0,2]=4 1972 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,1,0,0,0,0|1,0,2]=4 1973 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,1,0,0,0,0|2,0,1]=4 1974 B8R0.7 CC(=O)NCOCCF 71f4d510aaa6fcd6f0cc129128b41850 [0,1,0,0,0,0|2,0,1]=4 1975 B8R0.7 CC(=O)NCOCCS ea386d431c82b5e4a577412c44abfbbd [0,1,0,0,0,0|1,1,1]=4 1976 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,1,0,0,0,0|2,0,1]=4 1977 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [0,1,0,0,0,0|2,0,1]=4 1978 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [0,1,0,0,0,0|1,1,1]=4 1979 B8R0.7 CC(C)CCCNCF db99dd2fc56150b995ab6795ced65117 [0,1,0,0,0,0|3,0,0]=4 1980 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,1,0,0,0,0|2,0,0]=3 1981 B8R0.7 CC(C)CCCOCF 074ff3c76c900e9b0ff85e608ffe9d01 [0,1,0,0,0,0|3,0,0]=4 1982 B8R0.7 CC(C)CCNCC#N ef2455ad975761f49e382ff01598923b [0,1,0,0,0,0|2,0,1]=4 1983 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,1,0,0,0,0|1,0,2]=4 1984 B8R0.7 CC(C)CCNCCBr 63072d1bb0b37e13e4137a2658df5d3f [0,1,0,0,0,0|2,0,0]=3 1985 B8R0.7 CC(C)CCNCCF fa88e798a35cb724c574c6d9beb4e026 [0,1,0,0,0,0|2,0,0]=3 1986 B8R0.7 CC(C)CCNCCI 23da00c7d0e9607a32f436f0aa75fc42 [0,1,0,0,0,0|2,0,0]=3 1987 B8R0.7 CC(C)CCNCCO 8808dbc8c43d3215658a37aae8c42922 [0,1,0,0,0,0|1,0,0]=2 1988 B8R0.7 CC(C)CCNCCS f6fd9c0c9c1c8fd19eba108b534a9da0 [0,1,0,0,0,0|1,1,0]=3 1989 B8R0.7 CC(C)CCOCC#N b3cac106bbceade6f75af0b197358303 [0,1,0,0,0,0|1,0,1]=3 1990 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,1,0,0,0,0|0,0,2]=3 1991 B8R0.7 CC(C)CCOCCF 8c34c8e85518cf7592e3f685afefb143 [0,1,0,0,0,0|1,0,0]=2 1992 B8R0.7 CC(C)CCOCCS 32244445bbb2f48b4effe9772a2a7a0f [0,1,0,0,0,0|0,1,0]=2 1993 B8R0.7 CC(C)CNCCCCl 83551d904dbd627980ba793c1942d0e5 [0,1,0,0,0,0|3,0,0]=4 1994 B8R0.7 CC(C)CNCCCF e685da6699f44994d973febb9b810867 [0,1,0,0,0,0|3,0,0]=4 1995 B8R0.7 CC(C)CNCCCO 1cd6cdd205d9b8765f3eafc45298521d [0,1,0,0,0,0|2,0,0]=3 1996 B8R0.7 CC(C)CNCCCS 240b44f5bc44a9ca7d752febf9653f98 [0,1,0,0,0,0|2,1,0]=4 1997 B8R0.7 CC(C)COCCC#N 70e50476844f1c704ebc6094f2361362 [0,1,0,0,0,0|2,0,1]=4 1998 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,1,0,0,0,0|2,0,1]=4 1999 B8R0.7 CC(C)COCCCF 47b3e7003392b7e4d6af83ce49e8ae15 [0,1,0,0,0,0|2,0,0]=3 2000 B8R0.7 CC(C)COCCCS 4a6bc2e192e2a8c81d6a0173f59ed2af [0,1,0,0,0,0|2,0,0]=3 2001 B8R0.7 CC(C)NCC#CCO a73009f318636b150aeefde303574eb0 [0,1,0,0,0,0|2,0,1]=4 2002 B8R0.7 CC(C)NCCCCCl 760ce504f04b0a2c192a1d1765dbdc9f [0,1,0,0,0,0|3,0,0]=4 2003 B8R0.7 CC(C)NCCCCO cac322fa4c207db5bec318c0141a5615 [0,1,0,0,0,0|2,0,0]=3 2004 B8R0.7 CC(C)NCCCCS 974c6621180d0a894c4f21e582cd2063 [0,1,0,0,0,0|2,1,0]=4 2005 B8R0.7 CC(C)OCCCCF f9388f7924de81152ad266bc0e0fb91b [0,1,0,0,0,0|3,0,0]=4 2006 B8R0.7 CC(C)OCCCCS 7024b4637fc758d50ee27d269b165a7f [0,1,0,0,0,0|2,1,0]=4 2007 B8R0.7 CC(C)OCCNCO 0aee07ff538edc4e8f422683fa1e35c0 [0,1,0,0,0,0|3,0,0]=4 2008 B8R0.7 CC(C)OCNCCBr c10f84326c8f1facef1beace5d5f8de1 [0,1,0,0,0,0|3,0,0]=4 2009 B8R0.7 CC(C)OCNCCF ccb017660ebad218ec4c5f4ccaed4b40 [0,1,0,0,0,0|3,0,0]=4 2010 B8R0.7 CC(C)OCNCCI 07166ab0566f313c801c90a86e9e95e5 [0,1,0,0,0,0|3,0,0]=4 2011 B8R0.7 CC(C)OCNCCO 7914ffab43828f446a5354dacb24e6a5 [0,1,0,0,0,0|2,0,0]=3 2012 B8R0.7 CC(C)OCNCCS e3ebe926aa59c07cebf3b43b2242d75f [0,1,0,0,0,0|2,1,0]=4 2013 B8R0.7 CC(C)OCOCC#N 5c73d789cc1435efb997b61e28bcfa15 [0,1,0,0,0,0|2,0,1]=4 2014 B8R0.7 CC(C)OCOCCS 9144574496b338e238512c7a6f65237c [0,1,0,0,0,0|1,1,0]=3 2015 B8R0.7 CC(F)COCCC#N ae3a47e300eecdff1ef2e1529334c4dd [0,1,0,0,0,0|2,0,1]=4 2016 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [0,1,0,0,0,0|2,0,1]=4 2017 B8R0.7 CC(F)COCCCF 38263380a67c44c16346ab110c4b14ed [0,1,0,0,0,0|2,0,0]=3 2018 B8R0.7 CC(F)COCCCS fe888356fa7666952d363a84eef052cb [0,1,0,0,0,0|2,0,0]=3 2019 B8R0.7 CC(O)CCNCC#N 8839b15c450319cdc3d23d65a5edf4ef [0,1,0,0,0,0|2,0,1]=4 2020 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,1,0,0,0,0|1,0,2]=4 2021 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,1,0,0,0,0|2,0,0]=3 2022 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,1,0,0,0,0|2,0,0]=3 2023 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,1,0,0,0,0|2,0,0]=3 2024 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,1,0,0,0,0|1,0,0]=2 2025 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,1,0,0,0,0|1,1,0]=3 2026 B8R0.7 CC(O)CNCCC#N 10f7926ab58dfa7eba7767fe01cc5073 [0,1,0,0,0,0|2,0,1]=4 2027 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,1,0,0,0,0|2,0,1]=4 2028 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,1,0,0,0,0|2,0,0]=3 2029 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,1,0,0,0,0|2,0,0]=3 2030 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,1,0,0,0,0|2,0,0]=3 2031 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,1,0,0,0,0|2,0,0]=3 2032 B8R0.7 CC(O)CNCCON b1f97ecb062790a9ea413ad85e71fa34 [0,1,0,0,0,0|3,0,0]=4 2033 B8R0.7 CC(S)COCCC#N 3bf5cf4d2eafdc8d3c34cfc6a53dd8cd [0,1,0,0,0,0|1,1,1]=4 2034 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [0,1,0,0,0,0|1,1,1]=4 2035 B8R0.7 CC(S)COCCCF 1229d17f0ba7624aa77ee6d4b579a426 [0,1,0,0,0,0|1,1,0]=3 2036 B8R0.7 CC(S)COCCCS 94410c03f092028f1e752124b10b39f6 [0,1,0,0,0,0|1,1,0]=3 2037 B8R0.7 CC=CCNCC(C)O 3355a6f27ac95da3103ef606509bbc54 [0,1,0,0,0,0|1,0,2]=4 2038 B8R0.7 CC=CCNC[C@@H](C)O bb14a2a5b0f2f934973f50d6088143bf [0,1,0,0,0,0|1,0,2]=4 2039 B8R0.7 CC=CCNC[C@H](C)O a80e401a4fa769c8d578a7424ece8141 [0,1,0,0,0,0|1,0,2]=4 2040 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,1,0,0,0,0|0,0,3]=4 2041 B8R0.7 CC=CCOCC(C)C ccd450e3ab198b216809b6e4042e1597 [0,1,0,0,0,0|1,0,2]=4 2042 B8R0.7 CC=CCOCC(F)F 3dc0d11cfc1b1dd868f490cf16f011b2 [0,1,0,0,0,0|1,0,2]=4 2043 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [0,1,0,0,0,0|3,0,0]=4 2044 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,1,0,0,0,0|3,0,0]=4 2045 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,1,0,0,0,0|1,0,2]=4 2046 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,1,0,0,0,0|1,0,2]=4 2047 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,1,0,0,0,0|1,0,1]=3 2048 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [0,1,0,0,0,0|2,0,0]=3 2049 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,1,0,0,0,0|1,0,0]=2 2050 B8R0.7 CCCCNCC(F)F 59c1dd31b1633b5881723b5df4d70221 [0,1,0,0,0,0|2,0,0]=3 2051 B8R0.7 CCCCNCN(C)C e1ce7e7ec8d6dee5ae81d311d66afe96 [0,1,0,0,0,0|3,0,0]=4 2052 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,1,0,0,0,0|1,0,0]=2 2053 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,1,0,0,0,0|1,0,0]=2 2054 B8R0.7 CCCCNC[N+](=O)[O-] b37a4d591c4d5c287e1ebe6ace96f684 [0,1,0,0,0,0|2,0,1]=4 2055 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,1,0,0,0,0|0,0,2]=3 2056 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,1,0,0,0,0|0,0,2]=3 2057 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,1,0,0,0,0|0,0,1]=2 2058 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,1,0,0,0,0|0,1,1]=3 2059 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [0,1,0,0,0,0|1,0,0]=2 2060 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [0,1,0,0,0,0|1,0,0]=2 2061 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [0,1,0,0,0,0|0,1,0]=2 2062 B8R0.7 CCCCOCC(F)F aaeb3cfc8ecfd31ba743b6647a74b0e1 [0,1,0,0,0,0|1,0,0]=2 2063 B8R0.7 CCCCOCN(C)C 3598f39145ccde2eee87aa91337fcbb4 [0,1,0,0,0,0|2,0,0]=3 2064 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,1,0,0,0,0|1,0,0]=2 2065 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [0,1,0,0,0,0|1,0,0]=2 2066 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [0,1,0,0,0,0|1,0,0]=2 2067 B8R0.7 CCCCOC[N+](=O)[O-] 94b3f3bcc50279ace071168fd7298364 [0,1,0,0,0,0|1,0,1]=3 2068 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,1,0,0,0,0|2,0,1]=4 2069 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,0,0,0,0|2,0,1]=4 2070 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [0,1,0,0,0,0|2,0,0]=3 2071 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,1,0,0,0,0|2,0,0]=3 2072 B8R0.7 CCCNCCC(F)F 06bc8dd7195781c8fa8e64160537904c [0,1,0,0,0,0|3,0,0]=4 2073 B8R0.7 CCCNCCN(C)C 1fd7d9835f7eceefef0e4025a05690fb [0,1,0,0,0,0|3,0,0]=4 2074 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,1,0,0,0,0|3,0,0]=4 2075 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,1,0,0,0,0|3,0,0]=4 2076 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,1,0,0,0,0|2,0,0]=3 2077 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,1,0,0,0,0|2,0,0]=3 2078 B8R0.7 CCCNCOC(C)C f9d15999e9514468c33a2297857aa4db [0,1,0,0,0,0|3,0,0]=4 2079 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [0,1,0,0,0,0|1,0,2]=4 2080 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [0,1,0,0,0,0|1,0,2]=4 2081 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [0,1,0,0,0,0|1,0,2]=4 2082 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [0,1,0,0,0,0|1,0,2]=4 2083 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [0,1,0,0,0,0|1,0,2]=4 2084 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [0,1,0,0,0,0|1,0,2]=4 2085 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,1,0,0,0,0|1,0,1]=3 2086 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,1,0,0,0,0|2,0,1]=4 2087 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,0,0,0,0|2,0,1]=4 2088 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [0,1,0,0,0,0|1,0,0]=2 2089 B8R0.7 CCCOCCC(F)F c238cb362dacb265d2fe0fdc1ac7cda2 [0,1,0,0,0,0|2,0,0]=3 2090 B8R0.7 CCCOCCN(C)C 79c8f5d530bd776f1befe5ca1224c45c [0,1,0,0,0,0|2,0,0]=3 2091 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,1,0,0,0,0|2,0,0]=3 2092 B8R0.7 CCCOCC[N+](=O)[O-] 11f99b66cb4f802bc9ea03fcd4d8e421 [0,1,0,0,0,0|3,0,0]=4 2093 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,1,0,0,0,0|2,0,1]=4 2094 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,1,0,0,0,0|2,0,1]=4 2095 B8R0.7 CCCOCOC(C)C fd6891fd9649f5bf81816c72f5c16735 [0,1,0,0,0,0|2,0,0]=3 2096 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,1,0,0,0,0|2,0,1]=4 2097 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [0,1,0,0,0,0|3,0,0]=4 2098 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [0,1,0,0,0,0|3,0,0]=4 2099 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,1,0,0,0,0|2,0,1]=4 2100 B8R0.7 CCOCNCC(C)C 7a67391819739ef08ed61cadd8c0e82e [0,1,0,0,0,0|3,0,0]=4 2101 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,1,0,0,0,0|2,0,0]=3 2102 B8R0.7 CCOCNCC(F)F 6864c3bf38f9f9b6ff8435063ccb009d [0,1,0,0,0,0|3,0,0]=4 2103 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,1,0,0,0,0|2,0,0]=3 2104 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,1,0,0,0,0|2,0,0]=3 2105 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,1,0,0,0,0|1,0,2]=4 2106 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,1,0,0,0,0|1,0,2]=4 2107 B8R0.7 CCOCOCC(=S)N 954df826bc8116ccaedc3c11f318ede4 [0,1,0,0,0,0|1,1,1]=4 2108 B8R0.7 CCOCOCC(C)C a62032555c2fcc8079d2a4ea098abbb2 [0,1,0,0,0,0|2,0,0]=3 2109 B8R0.7 CCOCOCC(C)F c73dd79a306bce2783fd05bd33e397eb [0,1,0,0,0,0|2,0,0]=3 2110 B8R0.7 CCOCOCC(C)S 6ee669514f4c9e2f06c593da2130e07c [0,1,0,0,0,0|1,1,0]=3 2111 B8R0.7 CCOCOCC(F)F 6d4e5d9202b00e8946c713d3d14e82cd [0,1,0,0,0,0|2,0,0]=3 2112 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,1,0,0,0,0|2,0,0]=3 2113 B8R0.7 CCOCOC[C@@H](C)F 62b5805653e2df433a0fe0a15f5fbf76 [0,1,0,0,0,0|2,0,0]=3 2114 B8R0.7 CCOCOC[C@H](C)F 677fe224f9fcff3deb910c4464e1887d [0,1,0,0,0,0|2,0,0]=3 2115 B8R0.7 CN(C)CCCNCO bba07796e33ce14f4f33585f8e1a5167 [0,1,0,0,0,0|3,0,0]=4 2116 B8R0.7 CN(C)CCNCCBr e1a9b9d2021e24944c250dcb33425c3d [0,1,0,0,0,0|3,0,0]=4 2117 B8R0.7 CN(C)CCNCCF 53d242c2c8c27a60d998a2e9442d9c16 [0,1,0,0,0,0|3,0,0]=4 2118 B8R0.7 CN(C)CCNCCI cd40e95d3d8878bc7b1fc404d53d668a [0,1,0,0,0,0|3,0,0]=4 2119 B8R0.7 CN(C)CCNCCO 623d782539049a31626f7dc9eeb58e94 [0,1,0,0,0,0|2,0,0]=3 2120 B8R0.7 CN(C)CCNCCS 0719f9e4969ae8c005c228aa7ae9d6e8 [0,1,0,0,0,0|2,1,0]=4 2121 B8R0.7 CN(C)CCOCC#N 9765eb84c16e0796383f5d4aa1387d89 [0,1,0,0,0,0|2,0,1]=4 2122 B8R0.7 CN(C)CCOCC=O f2f32f3186f4b25325b639bd2505a675 [0,1,0,0,0,0|1,0,2]=4 2123 B8R0.7 CN(C)CCOCCF 777752e6a0beb4735bc253c792967a5a [0,1,0,0,0,0|2,0,0]=3 2124 B8R0.7 CN(C)CCOCCS 7dd441118b9732033165bff75cec585b [0,1,0,0,0,0|1,1,0]=3 2125 B8R0.7 CN(C)CNCCCO b9383588f6977f4de542d2f93d3da9b2 [0,1,0,0,0,0|3,0,0]=4 2126 B8R0.7 CN(C)COCCCF d066bb473d1bdee94a6093b8c856254c [0,1,0,0,0,0|3,0,0]=4 2127 B8R0.7 CN(C)COCCCS 72871a562f1c74c01219900a6237cd65 [0,1,0,0,0,0|3,0,0]=4 2128 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,1,0,0,0,0|2,0,1]=4 2129 B8R0.7 COCCNCC(C)C 0f93e00b6918ab89e337016dce5ddb5a [0,1,0,0,0,0|3,0,0]=4 2130 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,1,0,0,0,0|2,0,0]=3 2131 B8R0.7 COCCNCC(F)F 25469da334f8c271bf22d9774256f939 [0,1,0,0,0,0|3,0,0]=4 2132 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,1,0,0,0,0|2,0,0]=3 2133 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,1,0,0,0,0|2,0,0]=3 2134 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,1,0,0,0,0|1,0,2]=4 2135 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,1,0,0,0,0|1,0,2]=4 2136 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,1,0,0,0,0|1,0,1]=3 2137 B8R0.7 COCCOCC(=S)N f6b7727d398d2dd73460849d3902a55b [0,1,0,0,0,0|1,1,1]=4 2138 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [0,1,0,0,0,0|2,0,0]=3 2139 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [0,1,0,0,0,0|2,0,0]=3 2140 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [0,1,0,0,0,0|1,1,0]=3 2141 B8R0.7 COCCOCC(F)F bfb3aef41338718e9933cdd37f72b0d7 [0,1,0,0,0,0|2,0,0]=3 2142 B8R0.7 COCCOCN(C)C 5f430e22d7d61b20b5ef9532a0187c14 [0,1,0,0,0,0|3,0,0]=4 2143 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,1,0,0,0,0|2,0,0]=3 2144 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [0,1,0,0,0,0|2,0,0]=3 2145 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [0,1,0,0,0,0|2,0,0]=3 2146 B8R0.7 COCCOC[N+](=O)[O-] 21fa290ed814068495c8c8fca5430a92 [0,1,0,0,0,0|2,0,1]=4 2147 B8R0.7 COCNCCC(C)C d504197e2de2477c0ef95d33ccdc019c [0,1,0,0,0,0|3,0,0]=4 2148 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,1,0,0,0,0|3,0,0]=4 2149 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,1,0,0,0,0|3,0,0]=4 2150 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,1,0,0,0,0|3,0,0]=4 2151 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,1,0,0,0,0|2,0,1]=4 2152 B8R0.7 COCOCCC(C)C bcaaca22e174aa65ea31c88fa163f2b9 [0,1,0,0,0,0|2,0,0]=3 2153 B8R0.7 COCOCCC(F)F a1868dc0e7653329043c1f7862dbd8b8 [0,1,0,0,0,0|3,0,0]=4 2154 B8R0.7 COCOCCN(C)C 8bd0804b3ca98a562e1fae9ec45423b6 [0,1,0,0,0,0|3,0,0]=4 2155 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,1,0,0,0,0|3,0,0]=4 2156 B8R0.7 COCOCOC(C)C 808acfcb204685ab9989b9ebb33f50d9 [0,1,0,0,0,0|3,0,0]=4 2157 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,1,0,0,0,0|3,0,0]=4 2158 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,1,0,0,0,0|3,0,0]=4 2159 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,1,0,0,0,0|3,0,0]=4 2160 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,1,0,0,0,0|3,0,0]=4 2161 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,1,0,0,0,0|2,0,0]=3 2162 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,1,0,0,0,0|2,1,0]=4 2163 B8R0.7 CS(=O)CCOCC#N a76e9c5740da2e82df6581525470fa23 [0,1,0,0,0,0|2,0,1]=4 2164 B8R0.7 CS(=O)CCOCC=O 29eecdac67755e86d2be2b2f45a9b6a4 [0,1,0,0,0,0|1,0,2]=4 2165 B8R0.7 CS(=O)CCOCCF fdaadfc676436847a62c0e42bb0f6865 [0,1,0,0,0,0|2,0,0]=3 2166 B8R0.7 CS(=O)CCOCCS 189076507e3322af2f6154476fa0f988 [0,1,0,0,0,0|1,1,0]=3 2167 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,1,0,0,0,0|2,0,1]=4 2168 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,1,0,0,0,0|3,0,0]=4 2169 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,1,0,0,0,0|2,0,0]=3 2170 B8R0.7 CSCCNCC(F)F bcac50194a0f7b56b8f27f36d0f3ce16 [0,1,0,0,0,0|3,0,0]=4 2171 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,1,0,0,0,0|2,0,0]=3 2172 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,1,0,0,0,0|2,0,0]=3 2173 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,1,0,0,0,0|1,0,2]=4 2174 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,1,0,0,0,0|1,0,2]=4 2175 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,1,0,0,0,0|1,0,1]=3 2176 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,1,0,0,0,0|1,1,1]=4 2177 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,1,0,0,0,0|2,0,0]=3 2178 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,1,0,0,0,0|2,0,0]=3 2179 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,1,0,0,0,0|1,1,0]=3 2180 B8R0.7 CSCCOCC(F)F e98aee61b172b8e57c0b6dc807c6e22c [0,1,0,0,0,0|2,0,0]=3 2181 B8R0.7 CSCCOCN(C)C 9308692fd6962d1147703bf4247f7a7d [0,1,0,0,0,0|3,0,0]=4 2182 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,1,0,0,0,0|2,0,0]=3 2183 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,1,0,0,0,0|2,0,0]=3 2184 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,1,0,0,0,0|2,0,0]=3 2185 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,1,0,0,0,0|2,0,1]=4 2186 B8R0.7 CSCNCCC(C)C 1214140341214495e484e265d71b8d27 [0,1,0,0,0,0|3,0,0]=4 2187 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,1,0,0,0,0|3,0,0]=4 2188 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,1,0,0,0,0|3,0,0]=4 2189 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,1,0,0,0,0|3,0,0]=4 2190 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,1,0,0,0,0|2,0,1]=4 2191 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [0,1,0,0,0,0|2,0,0]=3 2192 B8R0.7 CSCOCCC(F)F 83ce2dc8d7430cd45d5790e41750074e [0,1,0,0,0,0|3,0,0]=4 2193 B8R0.7 CSCOCCN(C)C 12c65a5bf6ef4fa41ce73a42c72404c0 [0,1,0,0,0,0|3,0,0]=4 2194 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,1,0,0,0,0|3,0,0]=4 2195 B8R0.7 C[C@@H](F)COCCC#N 74026afac769e937dd23fb09afadc217 [0,1,0,0,0,0|2,0,1]=4 2196 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [0,1,0,0,0,0|2,0,1]=4 2197 B8R0.7 C[C@@H](F)COCCCF 8805caf11ad5173a48da127f306cfd46 [0,1,0,0,0,0|2,0,0]=3 2198 B8R0.7 C[C@@H](F)COCCCS 52a73dcf003de152a94ea23565833dab [0,1,0,0,0,0|2,0,0]=3 2199 B8R0.7 C[C@@H](O)CCNCC#N 07f11473eb282800c579759c12b8e195 [0,1,0,0,0,0|2,0,1]=4 2200 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,1,0,0,0,0|1,0,2]=4 2201 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,1,0,0,0,0|2,0,0]=3 2202 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,1,0,0,0,0|1,0,0]=2 2203 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,1,0,0,0,0|1,1,0]=3 2204 B8R0.7 C[C@@H](O)CNCCC#N 76d157afd1ee48e36135e012257d2afd [0,1,0,0,0,0|2,0,1]=4 2205 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,1,0,0,0,0|2,0,1]=4 2206 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,1,0,0,0,0|2,0,0]=3 2207 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,1,0,0,0,0|2,0,0]=3 2208 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,1,0,0,0,0|2,0,0]=3 2209 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,1,0,0,0,0|2,0,0]=3 2210 B8R0.7 C[C@@H](O)CNCCON cf5735b15a5d6d2ceccc8de528ff0d1e [0,1,0,0,0,0|3,0,0]=4 2211 B8R0.7 C[C@H](F)COCCC#N 0286496611c4cb397d561d795fe39623 [0,1,0,0,0,0|2,0,1]=4 2212 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [0,1,0,0,0,0|2,0,1]=4 2213 B8R0.7 C[C@H](F)COCCCF 1d700dd3528aa4704e235d13af34ba12 [0,1,0,0,0,0|2,0,0]=3 2214 B8R0.7 C[C@H](F)COCCCS 5c5cb3ef07f9bf5feab54c6a3593d0af [0,1,0,0,0,0|2,0,0]=3 2215 B8R0.7 C[C@H](O)CCNCC#N 444927f01db5dfbb8e82899248cdd74a [0,1,0,0,0,0|2,0,1]=4 2216 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,1,0,0,0,0|1,0,2]=4 2217 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,1,0,0,0,0|2,0,0]=3 2218 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,1,0,0,0,0|1,0,0]=2 2219 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,1,0,0,0,0|1,1,0]=3 2220 B8R0.7 C[C@H](O)CNCCC#N f9295a02cf77f70c51159fea1fcb5e9e [0,1,0,0,0,0|2,0,1]=4 2221 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,1,0,0,0,0|2,0,1]=4 2222 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,1,0,0,0,0|2,0,0]=3 2223 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,1,0,0,0,0|2,0,0]=3 2224 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,1,0,0,0,0|2,0,0]=3 2225 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,1,0,0,0,0|2,0,0]=3 2226 B8R0.7 C[C@H](O)CNCCON 0c3e84561343164f8035aff04b6f605b [0,1,0,0,0,0|3,0,0]=4 2227 B8R0.7 FC(F)CCNCCS 7334d39061c9bc0333b0e38b8d60e202 [0,1,0,0,0,0|2,1,0]=4 2228 B8R0.7 FC(F)CCOCCS 2e0ec95c1e417d1c3f36502547b3de23 [0,1,0,0,0,0|1,1,0]=3 2229 B8R0.7 FC(F)CNCCCCl db9ff590163c8365e06f1119fb9fbca2 [0,1,0,0,0,0|3,0,0]=4 2230 B8R0.7 FC(F)CNCCCS cf693e16f93a3986c727ac22ba051132 [0,1,0,0,0,0|3,0,0]=4 2231 B8R0.7 FC(F)COCCCS a2a833c210e85f1f577067f95adc3983 [0,1,0,0,0,0|2,0,0]=3 2232 B8R0.7 FCCCNCC(F)F 7f1656ddbecb2cdd8e316f2e7d08d573 [0,1,0,0,0,0|3,0,0]=4 2233 B8R0.7 FCCCOCC(F)F 588c040530e3bb8c6f4fff0d578a5b43 [0,1,0,0,0,0|2,0,0]=3 2234 B8R0.7 FCCNCCC(F)F bdc07ff38ba5172a12400f4f13cef405 [0,1,0,0,0,0|3,0,0]=4 2235 B8R0.7 FCCOCCC(F)F 630b247d413912cd788b13aef1d159a6 [0,1,0,0,0,0|2,0,0]=3 2236 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,1,0,0,0,0|1,0,2]=4 2237 B8R0.7 N#CCCOCC(F)F beb2ce485691abc108fc5aba21dc44b6 [0,1,0,0,0,0|2,0,1]=4 2238 B8R0.7 N#CCCOCS(=O)O 6f47e4ac524ed4512872a0510dfb2a50 [0,1,0,0,0,0|2,0,1]=4 2239 B8R0.7 N#CCOCCC(F)F ded337482bd2b238041d1feb44ef4386 [0,1,0,0,0,0|2,0,1]=4 2240 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,1,0,0,0,0|2,0,1]=4 2241 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,1,0,0,0,0|2,0,1]=4 2242 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,1,0,0,0,0|1,1,1]=4 2243 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,1,0,0,0,0|1,0,2]=4 2244 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,1,0,0,0,0|1,0,2]=4 2245 B8R0.7 NC(=S)CCNCCO 0bf63ce335ba1738d3e60f4bb45b5800 [0,1,0,0,0,0|2,0,1]=4 2246 B8R0.7 NC(=S)COCCCF 276e389abf4633d6ecfcfef8f2d69a36 [0,1,0,0,0,0|1,1,1]=4 2247 B8R0.7 NC(=S)COCCCS f94616acf348ebe1f39d3ed9b66f65e4 [0,1,0,0,0,0|1,1,1]=4 2248 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,1,0,0,0,0|2,0,1]=4 2249 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,1,0,0,0,0|2,0,1]=4 2250 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,1,0,0,0,0|1,1,1]=4 2251 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,1,0,0,0,0|2,0,1]=4 2252 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,1,0,0,0,0|2,0,1]=4 2253 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,1,0,0,0,0|2,0,1]=4 2254 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,1,0,0,0,0|2,0,1]=4 2255 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,1,0,0,0,0|1,0,1]=3 2256 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,1,0,0,0,0|1,0,1]=3 2257 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,1,0,0,0,0|1,0,2]=4 2258 B8R0.7 O=CCCOCC(F)F 3e9e6e81048071f99b0010d81f0f3255 [0,1,0,0,0,0|2,0,1]=4 2259 B8R0.7 O=CCCOCS(=O)O 3a0ab0c4f21b2feafdd9aaf59c492e10 [0,1,0,0,0,0|2,0,1]=4 2260 B8R0.7 O=CCOCCC(F)F f9017dd3628f25b685f6611fcf21a34d [0,1,0,0,0,0|1,0,2]=4 2261 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,1,0,0,0,0|3,0,0]=4 2262 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,1,0,0,0,0|2,0,0]=3 2263 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,1,0,0,0,0|2,0,0]=3 2264 B8R0.7 O=[N+]([O-])CCOCCF 8de0125fab2bc5ff24776c06c379f750 [0,1,0,0,0,0|3,0,0]=4 2265 B8R0.7 O=[N+]([O-])CCOCCS b2b05d807fc2754f36f1e96d86f8bfc7 [0,1,0,0,0,0|2,1,0]=4 2266 B8R0.7 O=[N+]([O-])COCCCF 0355b17e3672be8bcafdf15526afacb9 [0,1,0,0,0,0|2,0,1]=4 2267 B8R0.7 O=[N+]([O-])COCCCS 52c4280f786f46b5812ccfcc08a8ba20 [0,1,0,0,0,0|2,0,1]=4 2268 B8R0.7 OCCCNCC(F)F f30d0f1fb00ca8a3ad6293d94c8c9e69 [0,1,0,0,0,0|3,0,0]=4 2269 B8R0.7 OCCNCCC(F)F 2e9e569a16779ff0e140f1a1670838df [0,1,0,0,0,0|2,0,0]=3 2270 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,0,0,1,0,0|2,0,0]=3 2271 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,0,0,1,0,0|2,1,0]=4 2272 B8R1.2 FCN1CCCOC1 0813b9bdd7e109f7922171400e48b2a2 [0,0,0,1,0,0|3,0,0]=4 2273 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,0,0,1,0,0|3,0,0]=4 2274 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,0,0,1,0,0|3,0,0]=4 2275 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,0,0,1,0,0|3,0,0]=4 2276 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,0,0,1,0,0|3,0,0]=4 2277 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,0,0,1,0,0|3,0,0]=4 2278 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,1,0,0|3,0,0]=4 2279 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|3,0,0]=4 2280 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,0,1,0,0|2,0,0]=3 2281 B8R1.8 FCCN1CCSC1 6af16dfa6898a2480480632ee8bf7317 [0,0,0,1,0,0|3,0,0]=4 2282 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,0,0,1,0,0|3,0,0]=4 2283 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,0,1,0,0|3,0,0]=4 2284 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,0,0,1,0,0|3,0,0]=4 2285 B8R1.8 OCCN1CC=CC1 d8348ec800744cd0d63d462c0c3539da [0,0,0,1,0,0|1,0,2]=4 2286 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,0,0,1,0,0|2,0,0]=3 2287 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,1,0,0|2,0,0]=3 2288 B8R1.8 OCNC1CCOC1 2fc8497bfce18cddcd2256e4a71178b1 [0,0,0,1,0,0|3,0,0]=4 2289 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,0,0,1,0,0|3,0,0]=4 2290 B8R1.8 OCN[C@@H]1CCOC1 6debdc226aca736be6aa7594d0bc0c90 [0,0,0,1,0,0|3,0,0]=4 2291 B8R1.8 OCN[C@H]1CCOC1 30751a1a06fdde461d2f17b22a6d40ea [0,0,0,1,0,0|3,0,0]=4 2292 B8R1.8 SCCN1CCSC1 f1d337fb2e1392cc6e55ab3e453d1142 [0,0,0,1,0,0|2,1,0]=4 2293 B8R1.9 C#CCNC1CC1C d0e8aad7b67e718a1372988616835859 [0,0,0,1,0,0|2,0,1]=4 2294 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [0,0,0,1,0,0|2,0,1]=4 2295 B8R1.9 CC1CC1COCF 0efb070ccdbaf1808a5f5a5c1bb3e217 [0,0,0,1,0,0|3,0,0]=4 2296 B8R1.9 CC1CC1NCC#N 05b96a5b91b05f622dd0bab8b058b8f1 [0,0,0,1,0,0|2,0,1]=4 2297 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,0,0,1,0,0|1,0,2]=4 2298 B8R1.9 CC1CC1NCCF 57d7955f9979d26743bea83a1db70e87 [0,0,0,1,0,0|2,0,0]=3 2299 B8R1.9 CC1CC1NCCO 4cde00481925a0824f1034e8ce0d4ec3 [0,0,0,1,0,0|1,0,0]=2 2300 B8R1.9 CC1CC1NCCS 0657ee02a4d9bc437769337d347aaeb2 [0,0,0,1,0,0|1,1,0]=3 2301 B8R1.9 CCCNC1CC1C 0a698bf1fb13624ef2e48e54bc092aff [0,0,0,1,0,0|2,0,0]=3 2302 B8R1.9 CCCN[C@@H]1C[C@H]1F 07aa43c95c9d08f0ae29dc5e4bcc3889 [0,0,0,1,0,0|3,0,0]=4 2303 B8R1.9 CCCN[C@H]1C[C@@H]1F 55532eeca14849d15f8451fb735a56a4 [0,0,0,1,0,0|3,0,0]=4 2304 B8R1.9 CCCN[C@H]1C[C@H]1F 945c58902ae8fb488078f3a1433cf7d9 [0,0,0,1,0,0|3,0,0]=4 2305 B8R1.9 CCOCC1CC1C a1ad259ec9fec6cbcfa8781679544c1d [0,0,0,1,0,0|3,0,0]=4 2306 B8R1.9 CCOC[C@@H]1C[C@@H]1C 4ce6bf2d2de734fe8f28315de3f63974 [0,0,0,1,0,0|3,0,0]=4 2307 B8R1.9 CCOC[C@@H]1C[C@@H]1F db758449eba7d2e7e36821e031da9137 [0,0,0,1,0,0|3,0,0]=4 2308 B8R1.9 CCOC[C@@H]1C[C@H]1C f1e8faba0bc503df2acdbd86da05c1cd [0,0,0,1,0,0|3,0,0]=4 2309 B8R1.9 CCOC[C@@H]1C[C@H]1F a4da9189be2096295421277fd4558e25 [0,0,0,1,0,0|3,0,0]=4 2310 B8R1.9 CCOC[C@H]1C[C@@H]1C d0e5d8760a155c6ca9b44bd743e35a53 [0,0,0,1,0,0|3,0,0]=4 2311 B8R1.9 CCOC[C@H]1C[C@@H]1F 5f54e7028448009590800dc65a5252c0 [0,0,0,1,0,0|3,0,0]=4 2312 B8R1.9 CCOC[C@H]1C[C@H]1F a0dc68094174f3a27ca99829c0ae9c07 [0,0,0,1,0,0|3,0,0]=4 2313 B8R1.9 COCNC1CC1C 1f5a0b6a67ea05da3e3d4fd88db9ba21 [0,0,0,1,0,0|3,0,0]=4 2314 B8R1.9 CSCNC1CC1C e4fd3f89886322c39de9fa962cb3d0cb [0,0,0,1,0,0|3,0,0]=4 2315 B8R1.9 C[C@@H]1C[C@H]1COCF 129ba0ab352aefcfce2349cccfe0fa1e [0,0,0,1,0,0|3,0,0]=4 2316 B8R1.9 C[C@H]1C[C@@H]1COCF 308b12cf24ad8c00d69839382d63f20d [0,0,0,1,0,0|3,0,0]=4 2317 B8R1.9 C[C@H]1C[C@H]1COCF 579e56ca8b8650dc1966dcbdfcaad8aa [0,0,0,1,0,0|3,0,0]=4 2318 B8R1.9 FCCN[C@@H]1C[C@H]1F d6033194316a4ab3060e3e20abeabe64 [0,0,0,1,0,0|3,0,0]=4 2319 B8R1.9 FCCN[C@H]1C[C@@H]1F eff0879f37a81c1a2ab4d24b39f33ad8 [0,0,0,1,0,0|3,0,0]=4 2320 B8R1.9 FCCN[C@H]1C[C@H]1F 1a1918a4c9f73b6dcdf7521baf58f83a [0,0,0,1,0,0|3,0,0]=4 2321 B8R1.9 F[C@@H]1C[C@@H]1NCCS 994e7c645df92a4103650c54a2814aba [0,0,0,1,0,0|2,1,0]=4 2322 B8R1.9 F[C@@H]1C[C@H]1NCCS b56eb8dd5b8b555ba715234adae39162 [0,0,0,1,0,0|2,1,0]=4 2323 B8R1.9 F[C@H]1C[C@@H]1NCCS b3a54f8e93358eb50b0aed8e2c9feb93 [0,0,0,1,0,0|2,1,0]=4 2324 B8R1.9 OCCN[C@@H]1C[C@H]1F 1b75a1b15b85c71d1ae7189da4b08d35 [0,0,0,1,0,0|2,0,0]=3 2325 B8R1.9 OCCN[C@H]1C[C@@H]1F fff94f1987a2782cf968b7db00149a76 [0,0,0,1,0,0|2,0,0]=3 2326 B8R1.9 OCCN[C@H]1C[C@H]1F 706ee184d6680808da5b282894b8be7e [0,0,0,1,0,0|2,0,0]=3 2327 B8R1.10 BrCCNC1CCC1 40e6a4ec294e1a7c79a2d09d5945c1e7 [0,0,0,1,0,0|2,0,0]=3 2328 B8R1.10 BrCCNC1COC1 e819fa89fbdd7706f7137c2c1d4fb318 [0,0,0,1,0,0|3,0,0]=4 2329 B8R1.10 C#CCNC1CCC1 4f2614b4e030618d0b1ed5c7123c19c2 [0,0,0,1,0,0|2,0,1]=4 2330 B8R1.10 C#CCOC1CCC1 7febfd39799683d94a60ae6d954d808e [0,0,0,1,0,0|1,0,1]=3 2331 B8R1.10 C#CCOC1COC1 050619c37d5a578eac395ad263cef235 [0,0,0,1,0,0|2,0,1]=4 2332 B8R1.10 C#CCOC1CSC1 dff1b983e1987eecf3f1c8335d44b9db [0,0,0,1,0,0|2,0,1]=4 2333 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [0,0,0,1,0,0|2,0,1]=4 2334 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,0,0,1,0,0|1,0,1]=3 2335 B8R1.10 C=CCOC1COC1 2069a7755978e3f7b09e83a42998a20a [0,0,0,1,0,0|2,0,1]=4 2336 B8R1.10 C=CCOC1CSC1 f9945720f7cf937be161007b8184ef93 [0,0,0,1,0,0|2,0,1]=4 2337 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,0,0,1,0,0|2,0,0]=3 2338 B8R1.10 CCCNC1CCC1 0d5b8030ddd2a1e07521f601d888db58 [0,0,0,1,0,0|2,0,0]=3 2339 B8R1.10 CCCNC1COC1 921f8c35ddc25c301dc3c1bb5c0fe6b6 [0,0,0,1,0,0|3,0,0]=4 2340 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [0,0,0,1,0,0|1,0,0]=2 2341 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [0,0,0,1,0,0|2,0,0]=3 2342 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [0,0,0,1,0,0|2,0,0]=3 2343 B8R1.10 CCNCC1CCC1 51789aa8cde681373936f52aa711708a [0,0,0,1,0,0|3,0,0]=4 2344 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,0,0,1,0,0|2,0,0]=3 2345 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,0,0,1,0,0|2,0,0]=3 2346 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,0,0,1,0,0|2,0,0]=3 2347 B8R1.10 CCOCC1CCC1 d50b1f59edc7cd2c85ebc568d9e5d0da [0,0,0,1,0,0|3,0,0]=4 2348 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,0,0,1,0,0|2,0,0]=3 2349 B8R1.10 CCOCN1CCC1 7f8bcaafce643ae0c473400a947eab9d [0,0,0,1,0,0|3,0,0]=4 2350 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,0,0,1,0,0|2,0,0]=3 2351 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,0,0,1,0,0|2,0,0]=3 2352 B8R1.10 COCCN1CCC1 e94ebefbab355261b351bf6278fb2861 [0,0,0,1,0,0|3,0,0]=4 2353 B8R1.10 COCNC1CCC1 117c4caa9cf90143b3e779bab3a43ebb [0,0,0,1,0,0|3,0,0]=4 2354 B8R1.10 COCOC1CCC1 815d450af25718aa938c6c87b5efb59c [0,0,0,1,0,0|2,0,0]=3 2355 B8R1.10 COCOC1COC1 dca1577aca787c788198a19e21821fd0 [0,0,0,1,0,0|3,0,0]=4 2356 B8R1.10 COCOC1CSC1 3a7023cfcbeb3915a31ea625c2263553 [0,0,0,1,0,0|3,0,0]=4 2357 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,0,0,1,0,0|3,0,0]=4 2358 B8R1.10 CSCNC1CCC1 c72115a2c84945505d84748916218b75 [0,0,0,1,0,0|3,0,0]=4 2359 B8R1.10 CSCOC1CCC1 9e9206e1e63ba2bb085e78defc972ddf [0,0,0,1,0,0|2,0,0]=3 2360 B8R1.10 CSCOC1COC1 bad826ea3fce66d58dedf86028baf9c9 [0,0,0,1,0,0|3,0,0]=4 2361 B8R1.10 CSCOC1CSC1 ba54f3d1f51182eabdc1c4c807c54025 [0,0,0,1,0,0|3,0,0]=4 2362 B8R1.10 FCCCN1CCC1 ce9883ed98348c3043ca281e3aae0921 [0,0,0,1,0,0|3,0,0]=4 2363 B8R1.10 FCCNC1CCC1 6c50c71efa524262d161e2ffe19ec3cd [0,0,0,1,0,0|2,0,0]=3 2364 B8R1.10 FCCNC1COC1 6499ce7b9c8a53e086a39250474eb9ea [0,0,0,1,0,0|3,0,0]=4 2365 B8R1.10 FCCOC1CCC1 75a2bd44685d508f7ff51a0a88fb2201 [0,0,0,1,0,0|1,0,0]=2 2366 B8R1.10 FCCOC1COC1 995b392a63523384b4aa63fcc36fa91b [0,0,0,1,0,0|2,0,0]=3 2367 B8R1.10 FCCOC1CSC1 123c343bbb74be4a63e52d10d794a076 [0,0,0,1,0,0|2,0,0]=3 2368 B8R1.10 FCNCC1CCC1 c3544a1b5d74b5435fdba66fb0047311 [0,0,0,1,0,0|3,0,0]=4 2369 B8R1.10 FCNCC1CCO1 8a7b70390361153407991f19d28b8f0e [0,0,0,1,0,0|3,0,0]=4 2370 B8R1.10 FCNC[C@@H]1CCO1 1f782474e7be23704762359160df4f7b [0,0,0,1,0,0|3,0,0]=4 2371 B8R1.10 FCNC[C@H]1CCO1 28bf090b6360c4605c078dd8002cbc9f [0,0,0,1,0,0|3,0,0]=4 2372 B8R1.10 FCOCC1CCC1 84fe76da6760c3f505ffe7ca74fa4c75 [0,0,0,1,0,0|3,0,0]=4 2373 B8R1.10 FCOCC1CCO1 c27fe081bf2dfc17ce2bf4e621c4fc43 [0,0,0,1,0,0|3,0,0]=4 2374 B8R1.10 FCOC[C@@H]1CCO1 fcfe2cd8646a0e463eaddec5bfa63be3 [0,0,0,1,0,0|3,0,0]=4 2375 B8R1.10 FCOC[C@H]1CCO1 94e16fdf17b70d6847760c0547fca05b [0,0,0,1,0,0|3,0,0]=4 2376 B8R1.10 ICCNC1CCC1 5d0888592d88c5c69c12e0ffd001bfa9 [0,0,0,1,0,0|2,0,0]=3 2377 B8R1.10 ICCNC1COC1 5daf1005f9c8b9ad6358fe1f3d036c33 [0,0,0,1,0,0|3,0,0]=4 2378 B8R1.10 N#CCNC1CCC1 a83dd133c4891a6a5d8a7ded83c29995 [0,0,0,1,0,0|2,0,1]=4 2379 B8R1.10 N#CCOC1CCC1 ef29a8f6c4112fa92c5deec942fb94cd [0,0,0,1,0,0|1,0,1]=3 2380 B8R1.10 N#CCOC1COC1 b49c7cc9c897cf863396a08069169e8e [0,0,0,1,0,0|2,0,1]=4 2381 B8R1.10 N#CCOC1CSC1 bb1a80cc9ad418be8555da6c1fde635b [0,0,0,1,0,0|2,0,1]=4 2382 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,0,0,1,0,0|1,0,2]=4 2383 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,0,0,1,0,0|0,0,2]=3 2384 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,0,0,1,0,0|1,0,2]=4 2385 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,0,0,1,0,0|1,0,2]=4 2386 B8R1.10 OCCCN1CCC1 9c6f6bdabd0b2602126e7a24b406e0df [0,0,0,1,0,0|2,0,0]=3 2387 B8R1.10 OCCNC1CCC1 5fc98dae4c4d961193ac3b840bca29d5 [0,0,0,1,0,0|1,0,0]=2 2388 B8R1.10 OCCNC1COC1 25b9e126063b76a062533df6c23b3bac [0,0,0,1,0,0|2,0,0]=3 2389 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,0,0,1,0,0|2,0,0]=3 2390 B8R1.10 OCNCC1CCO1 7a110527d20698bde50f934bce3d4932 [0,0,0,1,0,0|3,0,0]=4 2391 B8R1.10 OCNCC1COC1 b6ea0579e38e73b8e62c548d46a16ff0 [0,0,0,1,0,0|3,0,0]=4 2392 B8R1.10 OCNC[C@@H]1CCO1 b20041b30672ace5c27bbb9dda06cfc8 [0,0,0,1,0,0|3,0,0]=4 2393 B8R1.10 OCNC[C@H]1CCO1 fcef914adea36da0d3a6586531fd1531 [0,0,0,1,0,0|3,0,0]=4 2394 B8R1.10 SCCCN1CCC1 9eb969adee9e410d06ebfdbf71b456b3 [0,0,0,1,0,0|2,1,0]=4 2395 B8R1.10 SCCNC1CCC1 2f562baf7d7b93979ca67ee9013e4780 [0,0,0,1,0,0|1,1,0]=3 2396 B8R1.10 SCCNC1COC1 9d55a8d5ae9bcd777f3c119a345d9f60 [0,0,0,1,0,0|2,1,0]=4 2397 B8R1.10 SCCOC1CCC1 1482898a71989edc1d995899e2c14489 [0,0,0,1,0,0|0,1,0]=2 2398 B8R1.10 SCCOC1COC1 8049da4b9b89f43d801afa2183455262 [0,0,0,1,0,0|1,1,0]=3 2399 B8R1.10 SCCOC1CSC1 7d5c0251f0ddff991dd09bbf90450b75 [0,0,0,1,0,0|1,1,0]=3 2400 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,0,0,1,0,0|3,0,0]=4 2401 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,0,0,1,0,0|2,0,0]=3 2402 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,0,0,1,0,0|3,0,0]=4 2403 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,0,0,1,0,0|3,0,0]=4 2404 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,0,0,1,0,0|2,0,0]=3 2405 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,0,0,1,0,0|3,0,0]=4 2406 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,0,0,1,0,0|3,0,0]=4 2407 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,0,0,1,0,0|3,0,0]=4 2408 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,0,0,1,0,0|2,0,0]=3 2409 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,0,0,1,0,0|3,0,0]=4 2410 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,0,0,1,0,0|2,0,0]=3 2411 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,0,0,1,0,0|3,0,0]=4 2412 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,0,0,1,0,0|3,0,0]=4 2413 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,0,0,1,0,0|3,0,0]=4 2414 B8R1.12 CCC1CCN1CF 2af23cf7c66aae8dbbf135025a194011 [0,0,0,1,0,0|3,0,0]=4 2415 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,0,0,1,0,0|2,0,0]=3 2416 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,0,0,1,0,0|2,0,0]=3 2417 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,0,0,1,0,0|2,0,0]=3 2418 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,0,0,1,0,0|2,0,0]=3 2419 B8R1.12 OCC1CCN1CF 54c9da261877e12e7953220dc99ac886 [0,0,0,1,0,0|3,0,0]=4 2420 B8R1.12 OCC1CCN1CO 6f5999e2d6210a45899e16922fbbca8c [0,0,0,1,0,0|3,0,0]=4 2421 B8R1.12 OC[C@@H]1CCN1CF 3ace3005e70dcc5f7c624bd2ca1ff323 [0,0,0,1,0,0|3,0,0]=4 2422 B8R1.12 OC[C@@H]1CCN1CO a558872b42b196932e71111ad2bff9a1 [0,0,0,1,0,0|3,0,0]=4 2423 B8R1.12 OC[C@H]1CCN1CF ad8d3d64cf5f70e33b7fd74857a35e0d [0,0,0,1,0,0|3,0,0]=4 2424 B8R1.12 OC[C@H]1CCN1CO 340168ce4e6427066968812c13eb91da [0,0,0,1,0,0|3,0,0]=4 2425 B8R1.13 CC1OCC1NCO 9cfb96188a625e9112cbf03494a5058b [0,0,0,1,0,0|3,0,0]=4 2426 B8R1.13 CCNC1CCC1F 1ca365aa3a03dba2f96f4cadc68f780e [0,0,0,1,0,0|3,0,0]=4 2427 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,0,0,1,0,0|2,0,0]=3 2428 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,0,0,1,0,0|2,0,0]=3 2429 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,0,0,1,0,0|3,0,0]=4 2430 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,0,0,1,0,0|2,0,0]=3 2431 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,0,0,1,0,0|2,0,0]=3 2432 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,0,0,1,0,0|3,0,0]=4 2433 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,0,0,1,0,0|2,0,0]=3 2434 B8R1.13 C[C@@H]1CC[C@@H]1NCF 6b38eed80c01be6c9debc46a3a554bff [0,0,0,1,0,0|3,0,0]=4 2435 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,0,0,1,0,0|2,0,0]=3 2436 B8R1.13 C[C@@H]1CC[C@H]1NCF 942b8307f34c60e7d4ef1a19714a9740 [0,0,0,1,0,0|3,0,0]=4 2437 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,0,0,1,0,0|2,0,0]=3 2438 B8R1.13 OC1CCC1NCF b320b59951a819bfc693c51a37952e97 [0,0,0,1,0,0|3,0,0]=4 2439 B8R1.13 OCNC1CCC1F ac2d6566e7c5b3bc373e327a47cf999c [0,0,0,1,0,0|3,0,0]=4 2440 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,0,0,1,0,0|3,0,0]=4 2441 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,0,0,1,0,0|3,0,0]=4 2442 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,0,0,1,0,0|3,0,0]=4 2443 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,0,0,1,0,0|3,0,0]=4 2444 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,0,0,1,0,0|3,0,0]=4 2445 B8R1.13 O[C@@H]1CC[C@@H]1NCF 437862ba8a6df6499db07eb305b6d757 [0,0,0,1,0,0|3,0,0]=4 2446 B8R1.13 O[C@@H]1CC[C@H]1NCF 83e31482881d268ada4c36f4b73cc8bb [0,0,0,1,0,0|3,0,0]=4 2447 B8R1.13 O[C@H]1CC[C@@H]1NCF 32b667547a5ff1b6f8a6aeb3abe14559 [0,0,0,1,0,0|3,0,0]=4 2448 B8R1.13 O[C@H]1CC[C@H]1NCF 29979674e8e1b6655ef0cde04d2ff86e [0,0,0,1,0,0|3,0,0]=4 2449 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,0,0,1,0,0|2,0,0]=3 2450 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,0,0,1,0,0|2,0,0]=3 2451 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,0,0,1,0,0|2,0,0]=3 2452 B8R1.17 CO[C@H]1C[C@H]1NCO 7ddd592a3e45b01591ca640a2662c329 [0,0,0,1,0,0|3,0,0]=4 2453 B8R1.17 OCN[C@@H]1C[C@H]1CO dfd1f2f4720fb386f808224509a99e79 [0,0,0,1,0,0|3,0,0]=4 2454 B8R1.17 OCN[C@H]1C[C@@H]1CO b4600a15b77b7b63fe0eb5951c7ac675 [0,0,0,1,0,0|3,0,0]=4 2455 B8R1.17 OCN[C@H]1C[C@H]1CO f5d2f40975aadac98e3309989c876b60 [0,0,0,1,0,0|3,0,0]=4 2456 B8R1.17 OC[C@@H]1C[C@@H]1NCF 71b7419e2d0069d2259b2cbda31d9782 [0,0,0,1,0,0|3,0,0]=4 2457 B8R1.17 OC[C@@H]1C[C@H]1NCF 5322e39e84824b63d0219ad41257c201 [0,0,0,1,0,0|3,0,0]=4 2458 B8R1.17 OC[C@H]1C[C@@H]1NCF b78b807e5ee5859e1e9b98795078a748 [0,0,0,1,0,0|3,0,0]=4 2459 B8R1.36 BrCCNCC1CC1 c331883059e548cf448209226b9934fc [0,0,0,1,0,0|2,0,0]=3 2460 B8R1.36 C#CCCOC1CC1 1b3154f8794dcf0a7b10ee04b450237d [0,0,0,1,0,0|1,0,2]=4 2461 B8R1.36 C#CCNCC1CC1 c22d6438eb28e6b41771819809a78b9a [0,0,0,1,0,0|2,0,1]=4 2462 B8R1.36 C#CCOCC1CC1 848bbe3dfac33794ef11e27f2753e87f [0,0,0,1,0,0|1,0,1]=3 2463 B8R1.36 C/C=C/COC1CC1 15aa4560346f34721439e478547bd987 [0,0,0,1,0,0|1,0,2]=4 2464 B8R1.36 C/C=C\COC1CC1 ce7e275d1f68c199d5e8c21d318a8df2 [0,0,0,1,0,0|1,0,2]=4 2465 B8R1.36 C=CCCOC1CC1 622d5e6791ce97e84bbc7a97a3048372 [0,0,0,1,0,0|1,0,2]=4 2466 B8R1.36 C=CCNCC1CC1 d574a4997f534ed53b974c2012f0d8e6 [0,0,0,1,0,0|2,0,1]=4 2467 B8R1.36 C=CCOCC1CC1 f479c640d2485abdcaf0be1cb3ece5ee [0,0,0,1,0,0|1,0,1]=3 2468 B8R1.36 CC#CCOC1CC1 a8056361a880cd058895299a9eea4f52 [0,0,0,1,0,0|1,0,2]=4 2469 B8R1.36 CC=CCOC1CC1 ff60a236632b76c466ad916a6efedd46 [0,0,0,1,0,0|1,0,2]=4 2470 B8R1.36 CCCCNC1CC1 764bf1f8d84e4797d549516a157f8bac [0,0,0,1,0,0|2,0,0]=3 2471 B8R1.36 CCCCOC1CC1 b14c6fcb6c68d146170e866704fcb560 [0,0,0,1,0,0|1,0,0]=2 2472 B8R1.36 CCCNCC1CC1 f3b3545bffc9f73f028676bee3a097f9 [0,0,0,1,0,0|2,0,0]=3 2473 B8R1.36 CCCOCC1CC1 97e988fcebd27b4b9691b615e5b007d8 [0,0,0,1,0,0|1,0,0]=2 2474 B8R1.36 CCNCCC1CC1 c403e5d19efa9bd3bd9474a55fa91f77 [0,0,0,1,0,0|3,0,0]=4 2475 B8R1.36 CCOCCC1CC1 fc916bef9b2390c47f74a3ae85c46af3 [0,0,0,1,0,0|3,0,0]=4 2476 B8R1.36 CCOCNC1CC1 299c45bda3118c3807c19afa9d974d2a [0,0,0,1,0,0|3,0,0]=4 2477 B8R1.36 CCOCOC1CC1 bce4418f9eac059bbaa462d4f904ef31 [0,0,0,1,0,0|2,0,0]=3 2478 B8R1.36 COCCNC1CC1 c729e1cfce019cc13b46a8e9bfa7aec8 [0,0,0,1,0,0|3,0,0]=4 2479 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [0,0,0,1,0,0|2,0,0]=3 2480 B8R1.36 COCNCC1CC1 1be685a94e635adec61892268334adf0 [0,0,0,1,0,0|3,0,0]=4 2481 B8R1.36 COCOCC1CC1 f15c6edec1bc27e0534666e04c14e6be [0,0,0,1,0,0|2,0,0]=3 2482 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,0,0,1,0,0|3,0,0]=4 2483 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,0,0,1,0,0|2,0,0]=3 2484 B8R1.36 CSCNCC1CC1 e820dcd23892d88756ec200e8c7e2a66 [0,0,0,1,0,0|3,0,0]=4 2485 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [0,0,0,1,0,0|2,0,0]=3 2486 B8R1.36 ClCCCNC1CC1 fcdebdf08b4bbef8702139d487bccf3c [0,0,0,1,0,0|3,0,0]=4 2487 B8R1.36 FCCCNC1CC1 4329b3a22c74fcf1c83456d06be8011d [0,0,0,1,0,0|3,0,0]=4 2488 B8R1.36 FCCCOC1CC1 bb339c263ecd231d95ac2857b20ce9e1 [0,0,0,1,0,0|2,0,0]=3 2489 B8R1.36 FCCNCC1CC1 1888b06dced729cdb9c58bb39d973ecb [0,0,0,1,0,0|2,0,0]=3 2490 B8R1.36 FCCOCC1CC1 49eef687c32d9587000ea915a92c8879 [0,0,0,1,0,0|1,0,0]=2 2491 B8R1.36 FCNCCC1CC1 25ac1c91045f2fe5fb430e80f7912798 [0,0,0,1,0,0|3,0,0]=4 2492 B8R1.36 FCOCCC1CC1 05e4af345a0e47e30a799f36a5de9ee5 [0,0,0,1,0,0|3,0,0]=4 2493 B8R1.36 ICCNCC1CC1 aa781e34336a301ce6c4ab090308fa1f [0,0,0,1,0,0|2,0,0]=3 2494 B8R1.36 N#CCCOC1CC1 261d2357c46005219762086f78a80788 [0,0,0,1,0,0|2,0,1]=4 2495 B8R1.36 N#CCNCC1CC1 ea1d56b90feadfd093baae27a3099c80 [0,0,0,1,0,0|2,0,1]=4 2496 B8R1.36 N#CCOCC1CC1 3ad296016f5ea990f81d0a78cc355bfd [0,0,0,1,0,0|1,0,1]=3 2497 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,0,0,1,0,0|2,0,1]=4 2498 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [0,0,0,1,0,0|1,0,2]=4 2499 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [0,0,0,1,0,0|0,0,2]=3 2500 B8R1.36 OCCCNC1CC1 09931d07909b5768c57fdc7cacffbc09 [0,0,0,1,0,0|2,0,0]=3 2501 B8R1.36 OCCNCC1CC1 e183fb3059537384ed4e22fe2e99ba8b [0,0,0,1,0,0|1,0,0]=2 2502 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,0,0,1,0,0|2,0,0]=3 2503 B8R1.36 OCNCCN1CC1 1e079d207f2aca4c808ddaac4239bf20 [0,0,0,1,0,0|3,0,0]=4 2504 B8R1.36 SCCCNC1CC1 ac16d26ee266b0421f9c1ad8179c0c06 [0,0,0,1,0,0|2,1,0]=4 2505 B8R1.36 SCCCOC1CC1 1939a9925ba22e18c2a17bb309b3e238 [0,0,0,1,0,0|2,0,0]=3 2506 B8R1.36 SCCNCC1CC1 5c0dd7dc74392e335e49dbe45b5c2923 [0,0,0,1,0,0|1,1,0]=3 2507 B8R1.36 SCCOCC1CC1 c7570effdfd289e3b528303f8e11797c [0,0,0,1,0,0|0,1,0]=2 2508 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [2,0,0,0,0,0|0,0,2]=4 2509 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,0]=3 2510 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 2511 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,0]=3 2512 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|0,0,0]=2 2513 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|1,0,0]=3 2514 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 2515 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 2516 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 2517 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,0]=3 2518 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,1,0]=4 2519 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [2,0,0,0,0,0|1,0,1]=4 2520 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|1,0,0]=3 2521 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|0,1,0]=3 2522 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|1,0,0]=3 2523 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [2,0,0,0,0,0|2,0,0]=4 2524 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [2,0,0,0,0,0|2,0,0]=4 2525 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [2,0,0,0,0,0|1,1,0]=4 2526 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [2,0,0,0,0,0|2,0,0]=4 2527 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [2,0,0,0,0,0|2,0,0]=4 2528 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [2,0,0,0,0,0|2,0,0]=4 2529 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [2,0,0,0,0,0|2,0,0]=4 2530 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [2,0,0,0,0,0|2,0,0]=4 2531 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [2,0,0,0,0,0|2,0,0]=4 2532 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [1,1,0,0,0,0|1,0,1]=4 2533 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [1,1,0,0,0,0|1,0,1]=4 2534 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [1,1,0,0,0,0|1,0,1]=4 2535 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [1,1,0,0,0,0|1,0,1]=4 2536 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [1,1,0,0,0,0|1,0,1]=4 2537 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [1,1,0,0,0,0|1,0,1]=4 2538 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,1,0,0,0,0|0,0,2]=4 2539 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,1,0,0,0,0|1,0,1]=4 2540 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [1,1,0,0,0,0|1,0,1]=4 2541 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [1,1,0,0,0,0|1,0,1]=4 2542 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [1,1,0,0,0,0|1,0,1]=4 2543 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,1,0,0,0,0|1,0,1]=4 2544 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [1,1,0,0,0,0|2,0,0]=4 2545 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [1,1,0,0,0,0|1,1,0]=4 2546 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [1,1,0,0,0,0|2,0,0]=4 2547 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [1,1,0,0,0,0|2,0,0]=4 2548 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [1,1,0,0,0,0|2,0,0]=4 2549 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [1,1,0,0,0,0|2,0,0]=4 2550 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [1,1,0,0,0,0|2,0,0]=4 2551 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [1,1,0,0,0,0|2,0,0]=4 2552 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [1,1,0,0,0,0|2,0,0]=4 2553 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [1,1,0,0,0,0|1,1,0]=4 2554 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [1,1,0,0,0,0|1,1,0]=4 2555 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [1,1,0,0,0,0|1,0,1]=4 2556 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|1,0,1]=4 2557 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [1,1,0,0,0,0|2,0,0]=4 2558 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [1,1,0,0,0,0|1,0,0]=3 2559 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [1,1,0,0,0,0|1,0,0]=3 2560 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [1,1,0,0,0,0|2,0,0]=4 2561 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [1,1,0,0,0,0|2,0,0]=4 2562 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [1,1,0,0,0,0|2,0,0]=4 2563 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,1,0,0,0,0|1,0,0]=3 2564 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [1,1,0,0,0,0|1,1,0]=4 2565 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [1,1,0,0,0,0|1,0,1]=4 2566 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|0,0,2]=4 2567 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [1,1,0,0,0,0|1,0,0]=3 2568 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [1,1,0,0,0,0|0,1,0]=3 2569 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [1,1,0,0,0,0|2,0,0]=4 2570 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [1,1,0,0,0,0|2,0,0]=4 2571 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [1,1,0,0,0,0|2,0,0]=4 2572 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [1,1,0,0,0,0|1,0,0]=3 2573 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [1,1,0,0,0,0|1,0,0]=3 2574 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [1,1,0,0,0,0|2,0,0]=4 2575 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|1,0,0]=3 2576 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|2,0,0]=4 2577 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,0,1]=4 2578 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,1,0,0,0,0|2,0,0]=4 2579 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [1,1,0,0,0,0|1,0,0]=3 2580 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,1,0,0,0,0|2,0,0]=4 2581 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [1,1,0,0,0,0|1,0,0]=3 2582 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,1,0,0,0,0|2,0,0]=4 2583 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [1,1,0,0,0,0|1,0,0]=3 2584 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [1,1,0,0,0,0|1,0,1]=4 2585 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,1,0,0,0,0|0,0,2]=4 2586 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|1,0,0]=3 2587 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [1,1,0,0,0,0|1,0,0]=3 2588 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,1,0,0,0,0|0,1,0]=3 2589 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|1,0,0]=3 2590 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,1,0,0,0,0|0,0,2]=4 2591 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|1,0,0]=3 2592 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,1,0,0,0,0|0,1,0]=3 2593 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [1,1,0,0,0,0|2,0,0]=4 2594 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [1,1,0,0,0,0|1,0,0]=3 2595 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [1,1,0,0,0,0|1,1,0]=4 2596 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [1,1,0,0,0,0|2,0,0]=4 2599 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [1,1,0,0,0,0|1,0,0]=3 2600 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [1,1,0,0,0,0|1,0,0]=3 2601 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [1,1,0,0,0,0|1,0,0]=3 2602 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [1,1,0,0,0,0|1,0,0]=3 2603 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [1,1,0,0,0,0|1,0,0]=3 2604 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [1,1,0,0,0,0|1,0,0]=3 2605 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [1,1,0,0,0,0|2,0,0]=4 2606 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [1,1,0,0,0,0|1,0,0]=3 2607 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [1,1,0,0,0,0|1,0,0]=3 2608 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [1,1,0,0,0,0|1,0,0]=3 2609 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [1,1,0,0,0,0|2,0,0]=4 2610 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [1,1,0,0,0,0|1,0,0]=3 2611 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [1,1,0,0,0,0|1,0,0]=3 2612 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [1,1,0,0,0,0|1,0,0]=3 2613 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|0,0,1]=3 2614 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [1,1,0,0,0,0|1,0,1]=4 2615 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [1,1,0,0,0,0|1,0,0]=3 2617 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [1,1,0,0,0,0|1,0,1]=4 2618 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|0,0,0]=2 2619 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [1,1,0,0,0,0|1,0,0]=3 2620 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [1,1,0,0,0,0|1,0,0]=3 2621 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [1,1,0,0,0,0|1,0,0]=3 2622 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [1,1,0,0,0,0|1,0,0]=3 2623 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|0,0,0]=2 2624 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [1,1,0,0,0,0|1,0,0]=3 2625 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|0,0,0]=2 2626 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [1,1,0,0,0,0|1,0,0]=3 2627 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [1,1,0,0,0,0|1,0,0]=3 2628 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [1,1,0,0,0,0|2,0,0]=4 2629 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,1,0,0,0,0|1,0,0]=3 2630 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [1,1,0,0,0,0|1,1,0]=4 2631 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [1,1,0,0,0,0|1,0,1]=4 2632 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|0,0,2]=4 2633 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [1,1,0,0,0,0|1,0,0]=3 2634 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [1,1,0,0,0,0|0,1,0]=3 2635 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [1,1,0,0,0,0|2,0,0]=4 2636 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [1,1,0,0,0,0|2,0,0]=4 2637 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [1,1,0,0,0,0|2,0,0]=4 2638 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [1,1,0,0,0,0|1,0,0]=3 2639 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [1,1,0,0,0,0|2,0,0]=4 2640 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [1,1,0,0,0,0|1,0,0]=3 2641 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [1,1,0,0,0,0|1,0,0]=3 2642 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [1,1,0,0,0,0|2,0,0]=4 2643 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,1,0,0,0,0|1,0,0]=3 2644 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [1,1,0,0,0,0|1,1,0]=4 2645 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [1,1,0,0,0,0|1,0,1]=4 2646 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|0,0,2]=4 2647 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [1,1,0,0,0,0|1,0,0]=3 2648 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [1,1,0,0,0,0|0,1,0]=3 2649 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [1,1,0,0,0,0|2,0,0]=4 2650 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [1,1,0,0,0,0|2,0,0]=4 2651 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [1,1,0,0,0,0|2,0,0]=4 2652 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [1,1,0,0,0,0|2,0,0]=4 2653 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [1,1,0,0,0,0|2,0,0]=4 2654 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [1,1,0,0,0,0|2,0,0]=4 2655 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [1,1,0,0,0,0|2,0,0]=4 2656 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [1,1,0,0,0,0|2,0,0]=4 2657 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [1,1,0,0,0,0|2,0,0]=4 2658 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [1,1,0,0,0,0|2,0,0]=4 2659 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [1,1,0,0,0,0|2,0,0]=4 2660 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [1,1,0,0,0,0|2,0,0]=4 2661 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [1,1,0,0,0,0|2,0,0]=4 2662 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [1,1,0,0,0,0|2,0,0]=4 2663 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [1,1,0,0,0,0|2,0,0]=4 2664 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [1,1,0,0,0,0|2,0,0]=4 2665 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [1,1,0,0,0,0|2,0,0]=4 2666 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [1,1,0,0,0,0|2,0,0]=4 2667 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [1,1,0,0,0,0|2,0,0]=4 2668 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [1,1,0,0,0,0|1,1,0]=4 2669 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [1,1,0,0,0,0|1,1,0]=4 2670 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [1,1,0,0,0,0|2,0,0]=4 2671 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [1,1,0,0,0,0|2,0,0]=4 2672 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [1,1,0,0,0,0|2,0,0]=4 2673 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [1,1,0,0,0,0|2,0,0]=4 2674 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [1,1,0,0,0,0|2,0,0]=4 2675 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [1,1,0,0,0,0|2,0,0]=4 2676 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [1,1,0,0,0,0|2,0,0]=4 2677 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [1,1,0,0,0,0|2,0,0]=4 2678 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [1,1,0,0,0,0|2,0,0]=4 2679 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [1,1,0,0,0,0|2,0,0]=4 2680 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [1,1,0,0,0,0|2,0,0]=4 2681 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [1,1,0,0,0,0|2,0,0]=4 2682 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [1,1,0,0,0,0|1,1,0]=4 2683 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [1,1,0,0,0,0|1,1,0]=4 2684 B7R0.3 FCOCC(Br)CBr 7f15e80ef386e790b46d1e9fe9404558 [1,1,0,0,0,0|2,0,0]=4 2685 B7R0.3 FCOCC(Cl)CCl 1e9e33554394af661816cb29dc417019 [1,1,0,0,0,0|2,0,0]=4 2686 B7R0.3 FCOCC(S)CS 34815cee2df2ec40989f80ad6dd621e0 [1,1,0,0,0,0|2,0,0]=4 2687 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [1,1,0,0,0,0|2,0,0]=4 2688 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [1,1,0,0,0,0|2,0,0]=4 2689 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [1,1,0,0,0,0|2,0,0]=4 2690 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [1,1,0,0,0,0|2,0,0]=4 2691 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [1,1,0,0,0,0|2,0,0]=4 2692 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [1,1,0,0,0,0|2,0,0]=4 2693 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [1,1,0,0,0,0|2,0,0]=4 2694 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [1,1,0,0,0,0|2,0,0]=4 2695 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [1,1,0,0,0,0|2,0,0]=4 2696 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [1,1,0,0,0,0|2,0,0]=4 2697 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [1,1,0,0,0,0|2,0,0]=4 2698 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [1,1,0,0,0,0|2,0,0]=4 2699 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [1,1,0,0,0,0|2,0,0]=4 2700 B7R0.4 C#CCCOC(C)C 742a793a3d568179dfa9ddcdeebb6426 [1,1,0,0,0,0|0,0,2]=4 2701 B7R0.4 C#CCOCC(C)C 7b3dff03c4339e6282faa453495ddd1d [1,1,0,0,0,0|1,0,1]=4 2702 B7R0.4 C#CCOCC(C)F 24ac5988e74e062c824d7dd007337322 [1,1,0,0,0,0|1,0,1]=4 2703 B7R0.4 C#CCOCC(C)S e8c23b3f60ec0b23e4801132bf3e2b9b [1,1,0,0,0,0|1,0,1]=4 2704 B7R0.4 C#CCOC[C@@H](C)F db02bd9289832c68ea593e6f638a9e82 [1,1,0,0,0,0|1,0,1]=4 2705 B7R0.4 C#CCOC[C@H](C)F fae2a0f25c10dfc4aa49f0e272066171 [1,1,0,0,0,0|1,0,1]=4 2706 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [1,1,0,0,0,0|0,0,2]=4 2707 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [1,1,0,0,0,0|0,0,2]=4 2708 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,1,0,0,0,0|0,0,2]=4 2709 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,1,0,0,0,0|1,0,1]=4 2710 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|1,0,1]=4 2711 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [1,1,0,0,0,0|1,0,1]=4 2712 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|0,0,1]=3 2713 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [1,1,0,0,0,0|1,0,1]=4 2714 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,1,0,0,0,0|1,0,1]=4 2715 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|1,0,1]=4 2716 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [1,1,0,0,0,0|1,0,1]=4 2717 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [1,1,0,0,0,0|0,1,1]=4 2718 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,1,0,0,0,0|1,0,1]=4 2719 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,1,0,0,0,0|1,0,1]=4 2720 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,1,0,0,0,0|1,0,1]=4 2721 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [1,1,0,0,0,0|0,0,2]=4 2722 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [1,1,0,0,0,0|1,0,1]=4 2723 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [1,1,0,0,0,0|1,0,1]=4 2724 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [1,1,0,0,0,0|1,0,1]=4 2725 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [1,1,0,0,0,0|1,0,1]=4 2726 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [1,1,0,0,0,0|1,0,1]=4 2727 B7R0.4 CC#CCOC(C)C 6e8db9745cabe9183b9bff9444d41366 [1,1,0,0,0,0|0,0,2]=4 2728 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|1,0,1]=4 2729 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|1,0,1]=4 2730 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|1,0,1]=4 2731 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|0,1,1]=4 2732 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|1,0,1]=4 2733 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [1,1,0,0,0,0|2,0,0]=4 2734 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [1,1,0,0,0,0|1,0,0]=3 2735 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [1,1,0,0,0,0|1,0,0]=3 2736 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [1,1,0,0,0,0|2,0,0]=4 2737 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [1,1,0,0,0,0|2,0,0]=4 2738 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [1,1,0,0,0,0|2,0,0]=4 2739 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [1,1,0,0,0,0|1,0,0]=3 2740 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [1,1,0,0,0,0|1,1,0]=4 2741 B7R0.4 CC(C)COCC#N 7cb07814ea2e3e867e4666ea75f57343 [1,1,0,0,0,0|1,0,1]=4 2742 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,1,0,0,0,0|0,0,2]=4 2743 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [1,1,0,0,0,0|1,0,0]=3 2744 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [1,1,0,0,0,0|0,1,0]=3 2745 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [1,1,0,0,0,0|2,0,0]=4 2746 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [1,1,0,0,0,0|1,0,0]=3 2747 B7R0.4 CC(C)OCCC#N fd21c0fde146e79c4d1d9956f568a2be [1,1,0,0,0,0|1,0,1]=4 2748 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,1,0,0,0,0|1,0,1]=4 2749 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [1,1,0,0,0,0|1,0,0]=3 2750 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [1,1,0,0,0,0|1,0,0]=3 2751 B7R0.4 CC(F)COCC#N a50055924fe80e5e23e6e4b90c544f3c [1,1,0,0,0,0|1,0,1]=4 2752 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,1,0,0,0,0|0,0,2]=4 2753 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [1,1,0,0,0,0|1,0,0]=3 2754 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [1,1,0,0,0,0|0,1,0]=3 2755 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [1,1,0,0,0,0|2,0,0]=4 2756 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [1,1,0,0,0,0|1,0,0]=3 2757 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [1,1,0,0,0,0|2,0,0]=4 2758 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [1,1,0,0,0,0|2,0,0]=4 2759 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [1,1,0,0,0,0|2,0,0]=4 2760 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [1,1,0,0,0,0|1,0,0]=3 2761 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [1,1,0,0,0,0|1,1,0]=4 2762 B7R0.4 CC(S)COCC#N 8408de29b1c2dba038610c9179acde99 [1,1,0,0,0,0|1,0,1]=4 2763 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,1,0,0,0,0|0,0,2]=4 2764 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [1,1,0,0,0,0|1,0,0]=3 2765 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [1,1,0,0,0,0|0,1,0]=3 2766 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [1,1,0,0,0,0|0,0,2]=4 2767 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,1]=4 2768 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,1,0,0,0,0|1,0,0]=3 2769 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|0,0,0]=2 2770 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|1,0,1]=4 2771 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,1,0,0,0,0|1,0,0]=3 2773 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [1,1,0,0,0,0|2,0,0]=4 2774 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,1,0,0,0,0|1,0,0]=3 2775 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,1,0,0,0,0|1,0,0]=3 2776 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|0,0,2]=4 2777 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|0,0,2]=4 2778 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|0,0,1]=3 2779 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [1,1,0,0,0,0|0,1,1]=4 2780 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,1,0,0,0,0|1,0,0]=3 2781 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [1,1,0,0,0,0|1,0,0]=3 2782 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,1,0,0,0,0|0,1,0]=3 2783 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [1,1,0,0,0,0|1,0,0]=3 2784 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [1,1,0,0,0,0|2,0,0]=4 2785 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|1,0,0]=3 2786 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [1,1,0,0,0,0|1,0,0]=3 2787 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [1,1,0,0,0,0|1,0,0]=3 2788 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [1,1,0,0,0,0|1,0,1]=4 2789 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|1,0,1]=4 2790 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,1,0,0,0,0|1,0,0]=3 2791 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|1,0,0]=3 2792 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [1,1,0,0,0,0|2,0,0]=4 2793 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [1,1,0,0,0,0|2,0,0]=4 2794 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [1,1,0,0,0,0|2,0,0]=4 2795 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|2,0,0]=4 2796 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|1,0,0]=3 2797 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|1,0,0]=3 2798 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,1,0,0,0,0|0,0,2]=4 2799 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,1,0,0,0,0|0,0,2]=4 2800 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,1,0,0,0,0|0,0,2]=4 2801 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,1,0,0,0,0|0,0,2]=4 2802 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|0,0,1]=3 2803 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|0,0,0]=2 2806 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [1,1,0,0,0,0|1,0,0]=3 2807 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [1,1,0,0,0,0|1,0,0]=3 2808 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|1,0,0]=3 2809 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [1,1,0,0,0,0|2,0,0]=4 2810 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|1,0,1]=4 2811 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [1,1,0,0,0,0|1,0,0]=3 2812 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [1,1,0,0,0,0|2,0,0]=4 2813 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [1,1,0,0,0,0|2,0,0]=4 2814 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [1,1,0,0,0,0|2,0,0]=4 2815 B7R0.4 CN(C)COCCF 62f55da4c28b5a6853579355e2be444c [1,1,0,0,0,0|2,0,0]=4 2816 B7R0.4 CN(C)COCCS a425fbb521a3fbcb18e120f8fcba5ba5 [1,1,0,0,0,0|1,1,0]=4 2817 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [1,1,0,0,0,0|2,0,0]=4 2818 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [1,1,0,0,0,0|1,0,0]=3 2819 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [1,1,0,0,0,0|2,0,0]=4 2820 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [1,1,0,0,0,0|2,0,0]=4 2821 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [1,1,0,0,0,0|2,0,0]=4 2822 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,1]=4 2823 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [1,1,0,0,0,0|2,0,0]=4 2824 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [1,1,0,0,0,0|2,0,0]=4 2825 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [1,1,0,0,0,0|1,1,0]=4 2826 B7R0.4 COCOCC(F)F f3ba6ff0889af417f90d77fc2d38e726 [1,1,0,0,0,0|2,0,0]=4 2827 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [1,1,0,0,0,0|2,0,0]=4 2828 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [1,1,0,0,0,0|2,0,0]=4 2829 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [1,1,0,0,0,0|2,0,0]=4 2830 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [1,1,0,0,0,0|2,0,0]=4 2831 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [1,1,0,0,0,0|2,0,0]=4 2832 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [1,1,0,0,0,0|2,0,0]=4 2833 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [1,1,0,0,0,0|1,0,0]=3 2834 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [1,1,0,0,0,0|2,0,0]=4 2835 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [1,1,0,0,0,0|2,0,0]=4 2836 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [1,1,0,0,0,0|2,0,0]=4 2837 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,1]=4 2838 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [1,1,0,0,0,0|2,0,0]=4 2839 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [1,1,0,0,0,0|2,0,0]=4 2840 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [1,1,0,0,0,0|1,1,0]=4 2841 B7R0.4 CSCOCC(F)F f5224cd0f16a5565a48a0766b0edd0b9 [1,1,0,0,0,0|2,0,0]=4 2842 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [1,1,0,0,0,0|2,0,0]=4 2843 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [1,1,0,0,0,0|2,0,0]=4 2844 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [1,1,0,0,0,0|2,0,0]=4 2845 B7R0.4 C[C@@H](F)COCC#N 08d0d31917ae78b12467dce063805972 [1,1,0,0,0,0|1,0,1]=4 2846 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [1,1,0,0,0,0|0,0,2]=4 2847 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [1,1,0,0,0,0|1,0,0]=3 2848 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [1,1,0,0,0,0|0,1,0]=3 2849 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [1,1,0,0,0,0|2,0,0]=4 2850 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [1,1,0,0,0,0|1,0,0]=3 2851 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [1,1,0,0,0,0|2,0,0]=4 2852 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [1,1,0,0,0,0|2,0,0]=4 2853 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [1,1,0,0,0,0|2,0,0]=4 2854 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [1,1,0,0,0,0|1,0,0]=3 2855 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [1,1,0,0,0,0|1,1,0]=4 2856 B7R0.4 C[C@H](F)COCC#N 03e336d3456086811b7fb198988f0b95 [1,1,0,0,0,0|1,0,1]=4 2857 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [1,1,0,0,0,0|0,0,2]=4 2858 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [1,1,0,0,0,0|1,0,0]=3 2859 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [1,1,0,0,0,0|0,1,0]=3 2860 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [1,1,0,0,0,0|2,0,0]=4 2861 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [1,1,0,0,0,0|1,0,0]=3 2862 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [1,1,0,0,0,0|2,0,0]=4 2863 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [1,1,0,0,0,0|2,0,0]=4 2864 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [1,1,0,0,0,0|2,0,0]=4 2865 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [1,1,0,0,0,0|1,0,0]=3 2866 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [1,1,0,0,0,0|1,1,0]=4 2867 B7R0.4 FC(F)COCCS e3a324d7a6b843a6158f5435c15ddadb [1,1,0,0,0,0|1,1,0]=4 2868 B7R0.4 FCCOCC(F)F 20ad19de9ff83f0ab91a9aa26bd47e34 [1,1,0,0,0,0|2,0,0]=4 2869 B7R0.4 FCOCCC(F)F c570be3bce6e9c5b08afdf06de91b339 [1,1,0,0,0,0|2,0,0]=4 2870 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,1]=4 2871 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,1]=4 2872 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [1,1,0,0,0,0|2,0,0]=4 2873 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [1,1,0,0,0,0|2,0,0]=4 2874 B7R0.4 OCCNCC(F)F 024302a0340b34702e94d843b11797e0 [1,1,0,0,0,0|2,0,0]=4 2875 B7R0.4 OCNCCC(F)F 6ab11325c4893be6b016d91b3c022661 [1,1,0,0,0,0|2,0,0]=4 2876 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [1,1,0,0,0,0|0,0,2]=4 2877 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [1,1,0,0,0,0|0,0,2]=4 2878 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [1,1,0,0,0,0|0,0,2]=4 2879 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [1,1,0,0,0,0|0,0,2]=4 2880 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [1,1,0,0,0,0|0,0,2]=4 2881 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [1,1,0,0,0,0|0,0,2]=4 2882 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [1,1,0,0,0,0|2,0,0]=4 2883 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [1,1,0,0,0,0|2,0,0]=4 2884 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [1,1,0,0,0,0|0,0,2]=4 2885 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,1,0,0,0,0|0,0,1]=3 2886 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [1,1,0,0,0,0|1,0,1]=4 2887 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [1,1,0,0,0,0|1,0,0]=3 2888 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [1,1,0,0,0,0|2,0,0]=4 2889 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [1,1,0,0,0,0|1,0,0]=3 2890 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|0,0,0]=2 2891 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [1,1,0,0,0,0|1,0,0]=3 2892 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [1,1,0,0,0,0|2,0,0]=4 2893 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [1,1,0,0,0,0|2,0,0]=4 2894 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [1,1,0,0,0,0|1,0,0]=3 2895 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [1,1,0,0,0,0|1,1,0]=4 2896 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|0,0,0]=2 2897 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [1,1,0,0,0,0|1,0,0]=3 2898 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [1,1,0,0,0,0|1,0,0]=3 2899 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [1,1,0,0,0,0|2,0,0]=4 2900 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [1,1,0,0,0,0|1,0,0]=3 2901 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|0,0,0]=2 2902 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [1,1,0,0,0,0|1,0,0]=3 2903 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [1,1,0,0,0,0|1,0,0]=3 2904 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [1,1,0,0,0,0|2,0,0]=4 2905 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [1,1,0,0,0,0|1,0,0]=3 2906 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [1,1,0,0,0,0|2,0,0]=4 2907 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [1,1,0,0,0,0|1,0,0]=3 2908 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [1,1,0,0,0,0|2,0,0]=4 2909 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [1,1,0,0,0,0|1,0,1]=4 2910 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [1,1,0,0,0,0|1,0,0]=3 2911 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [1,1,0,0,0,0|1,0,0]=3 2912 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [1,1,0,0,0,0|1,0,1]=4 2913 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [1,1,0,0,0,0|1,0,0]=3 2914 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [1,1,0,0,0,0|1,0,1]=4 2915 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [1,1,0,0,0,0|1,0,0]=3 2916 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [1,1,0,0,0,0|2,0,0]=4 2917 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [1,1,0,0,0,0|2,0,0]=4 2918 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [1,1,0,0,0,0|2,0,0]=4 2919 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [1,1,0,0,0,0|2,0,0]=4 2920 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [1,1,0,0,0,0|2,0,0]=4 2921 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [1,1,0,0,0,0|2,0,0]=4 2922 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [1,1,0,0,0,0|2,0,0]=4 2923 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [1,1,0,0,0,0|2,0,0]=4 2924 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [1,1,0,0,0,0|2,0,0]=4 2925 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [1,1,0,0,0,0|2,0,0]=4 2926 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [1,1,0,0,0,0|2,0,0]=4 2927 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [1,1,0,0,0,0|2,0,0]=4 2928 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [1,1,0,0,0,0|2,0,0]=4 2929 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [1,1,0,0,0,0|2,0,0]=4 2930 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [1,1,0,0,0,0|2,0,0]=4 2931 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [1,1,0,0,0,0|2,0,0]=4 2932 B9R0.4 C#CCOC(C)CC(C)C 22c7900709e5627db136e1fbbbc90fe2 [0,2,0,0,0,0|1,0,1]=4 2933 B9R0.4 C#CCO[C@@H](C)CC(C)C 62f21deb29a53f4d2d49023daa75d69d [0,2,0,0,0,0|1,0,1]=4 2934 B9R0.4 C#CCO[C@H](C)CC(C)C 09f6c31393b59f73a08a7dc6a53dca07 [0,2,0,0,0,0|1,0,1]=4 2935 B9R0.4 C=CCOC(C)CC(C)C 6172fc7bebb88cfe7191de7dabc82710 [0,2,0,0,0,0|1,0,1]=4 2936 B9R0.4 C=CCO[C@@H](C)CC(C)C cb591aeccfc1c7ee2eecb9d61dfdb956 [0,2,0,0,0,0|1,0,1]=4 2937 B9R0.4 C=CCO[C@H](C)CC(C)C 66e79c01c2faecc260e2fb8690a313cb [0,2,0,0,0,0|1,0,1]=4 2938 B9R0.4 CC(C)CC(=O)NCCO 6c715f945a2b8842828200acbf60538e [0,2,0,0,0,0|1,0,1]=4 2939 B9R0.4 CC(C)CC(C)NCCBr a5507d90c82b8ea96fd7dec52a3becb7 [0,2,0,0,0,0|2,0,0]=4 2940 B9R0.4 CC(C)CC(C)NCCF 4359404f7f93d4ef3a96b03dd3339dfe [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.4 CC(C)CC(C)NCCI ffd3de19e701a31b18119932b3b77a03 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.4 CC(C)CC(C)NCCO 9ffb6d14d8980959383ebdbc75e3b4d2 [0,2,0,0,0,0|1,0,0]=3 2943 B9R0.4 CC(C)CC(C)NCCS 13cc0b3c21eb681899a6d2f62c598338 [0,2,0,0,0,0|1,1,0]=4 2944 B9R0.4 CC(C)CC(C)OCC#N 0ab64a150d92b446d2ad0b63afd76911 [0,2,0,0,0,0|1,0,1]=4 2945 B9R0.4 CC(C)CC(C)OCC=O e4313446b456bdf7fdca0b7a0d643086 [0,2,0,0,0,0|0,0,2]=4 2946 B9R0.4 CC(C)CC(C)OCCF f2f9f61abf708f81cdeaf41644195850 [0,2,0,0,0,0|1,0,0]=3 2947 B9R0.4 CC(C)CC(C)OCCS cf710b6e82e812d774c047980cb47c95 [0,2,0,0,0,0|0,1,0]=3 2948 B9R0.4 CC(C)CC(O)CNCO 54245e902b0f7cf7db0b87ff1cd26c98 [0,2,0,0,0,0|2,0,0]=4 2949 B9R0.4 CC(C)CN(C)CCCO a3390a81b756bb175031c22e66ed4898 [0,2,0,0,0,0|2,0,0]=4 2950 B9R0.4 CC(C)C[C@@H](C)OCC#N 686e4e06e8a4c13c2d4194acf26f7673 [0,2,0,0,0,0|1,0,1]=4 2951 B9R0.4 CC(C)C[C@@H](C)OCC=O 86fba79e755fb79840211bcef0d1d91f [0,2,0,0,0,0|0,0,2]=4 2952 B9R0.4 CC(C)C[C@@H](C)OCCF 35cdf09b9ad3c0592741fffa834d03de [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.4 CC(C)C[C@@H](C)OCCS b61b023ef92d949a8f76665631cf1f90 [0,2,0,0,0,0|0,1,0]=3 2954 B9R0.4 CC(C)C[C@H](C)OCC#N a9cb25efc1b58ac0cdcafdc45ecc001b [0,2,0,0,0,0|1,0,1]=4 2955 B9R0.4 CC(C)C[C@H](C)OCC=O 1eaa0d6f3cf9bdd58393fd612436cf93 [0,2,0,0,0,0|0,0,2]=4 2956 B9R0.4 CC(C)C[C@H](C)OCCF d2697d39a3063c12df7bf0278b77593f [0,2,0,0,0,0|1,0,0]=3 2957 B9R0.4 CC(C)C[C@H](C)OCCS 5038e9a6f781496305bc2b92d0fa4bab [0,2,0,0,0,0|0,1,0]=3 2958 B9R0.4 CC(C)NC(C)CCCO bf77497f2a8a40451cf54c9eafa8738e [0,2,0,0,0,0|2,0,0]=4 2959 B9R0.4 CC(C)N[C@H](C)CCCO e802784ad95e8e2a28860518878c3271 [0,2,0,0,0,0|2,0,0]=4 2960 B9R0.4 CC(CN(C)C)NCCO 98476e124010f0a42ab7e5d06f688729 [0,2,0,0,0,0|2,0,0]=4 2961 B9R0.4 CC(CN(C)C)OCCF 811c4b8dc6e73444a9507721ade0d9ef [0,2,0,0,0,0|2,0,0]=4 2962 B9R0.4 CC(CN(C)C)OCCS b3cef2cf4179af6594c8ff87994f64d5 [0,2,0,0,0,0|1,1,0]=4 2963 B9R0.4 CC(O)CC(=O)NCCO 859a0f6b2813ebb22709a20a11ef68f4 [0,2,0,0,0,0|1,0,1]=4 2964 B9R0.4 CC(O)CC(C)NCCF ae36b5c5f983d998c13f44a1f9b50d3f [0,2,0,0,0,0|2,0,0]=4 2965 B9R0.4 CC(O)CC(C)NCCO 18fd7bbc2d56fe18813d36c3680a81ca [0,2,0,0,0,0|1,0,0]=3 2966 B9R0.4 CC(O)CC(C)NCCS 1a6ee0ffaf1753805e716c45dc626efc [0,2,0,0,0,0|1,1,0]=4 2967 B9R0.4 CC(O)CN(C)CCCF 2d3ca18fd65012cbc5a6a1ab907d7ae9 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.4 CC(O)CN(C)CCCO a3b6de3530c924b1d4439c28cd8f36bc [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.4 CC(O)CN(C)CCCS 5f8fb0ea11eb77e390a4b87bcdeb1868 [0,2,0,0,0,0|2,0,0]=4 2970 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [0,2,0,0,0,0|1,0,1]=4 2971 B9R0.4 CCCCN(C)CC(C)C fda7f74a6f755424fe5301f6caaf4dd6 [0,2,0,0,0,0|2,0,0]=4 2972 B9R0.4 CCCCN(C)CC(C)O 885ac1e2b39af10834325662cfe0c521 [0,2,0,0,0,0|1,0,0]=3 2973 B9R0.4 CCCCN(C)CC(F)F 012552fa01e04c4140b5f815358962ed [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.4 CCCCN(C)C[C@@H](C)O 3d71bb087df95077ac3c9f938e607228 [0,2,0,0,0,0|1,0,0]=3 2975 B9R0.4 CCCCN(C)C[C@H](C)O 784ba747758412e3f61b82e60d7f8c6e [0,2,0,0,0,0|1,0,0]=3 2976 B9R0.4 CCCNC(=O)CC(C)O 7110cd96b9f553bdbd25c874da6cd8e3 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.4 CCCNC(=O)C[C@@H](C)O 3cf3a463b314165c7bf9273f0f25f256 [0,2,0,0,0,0|2,0,0]=4 2978 B9R0.4 CCCNC(=O)C[C@H](C)O fa4a14e2d0b155af615e65989556a1f9 [0,2,0,0,0,0|2,0,0]=4 2979 B9R0.4 CCCNC(C)CC(C)C 6828cf7d6952a8216a1be98eabd80117 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.4 CCCNC(C)CC(C)O 98aedfcb0c4404029eedc1338854ce8c [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.4 CCCOC(C)CC(C)C 172ee567cc285579196312644f20b815 [0,2,0,0,0,0|1,0,0]=3 2982 B9R0.4 CCCOC(C)CN(C)C 2e150b0b6c10db886b16704e4eefb9dd [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.4 CCCO[C@@H](C)CC(C)C f8368645746913c122f54b6b45a441ff [0,2,0,0,0,0|1,0,0]=3 2984 B9R0.4 CCCO[C@@H](C)CN(C)C 93609bf0dd70ec03b5192a43f441d1c3 [0,2,0,0,0,0|2,0,0]=4 2985 B9R0.4 CCCO[C@H](C)CC(C)C 0a6cb99dd4ff2b6d95f1e6af556aca74 [0,2,0,0,0,0|1,0,0]=3 2986 B9R0.4 CCCO[C@H](C)CN(C)C bbfa938b4ea317bdb482981410d5efc4 [0,2,0,0,0,0|2,0,0]=4 2987 B9R0.4 CCOCN(C)CC(C)O fb86ddd17e1342742d1721083b988d09 [0,2,0,0,0,0|2,0,0]=4 2988 B9R0.4 CCOCN(C)C[C@H](C)O 8fa880de729ab278f55206f8987aeff5 [0,2,0,0,0,0|2,0,0]=4 2989 B9R0.4 COCCN(C)CC(C)O 38ba24b3aabe2b5b835014841c11ac4d [0,2,0,0,0,0|2,0,0]=4 2990 B9R0.4 COCCN(C)C[C@@H](C)O eeaa3e13f82a21df87e07a02ea469ab5 [0,2,0,0,0,0|2,0,0]=4 2991 B9R0.4 COCCN(C)C[C@H](C)O 8c970f510d6f15a7eeb1511b8b8ec91d [0,2,0,0,0,0|2,0,0]=4 2992 B9R0.4 COCOC(C)CC(C)C 9b6498a6da082c4c7492da1a20caa2ea [0,2,0,0,0,0|2,0,0]=4 2993 B9R0.4 COCO[C@@H](C)CC(C)C 1088886d32c617c4cfb3494bb3be2b73 [0,2,0,0,0,0|2,0,0]=4 2994 B9R0.4 COCO[C@H](C)CC(C)C f429d264616cadbfefc32b1ea968d55d [0,2,0,0,0,0|2,0,0]=4 2995 B9R0.4 CSCCN(C)CC(C)O 7e6e2f75f4baf516883ba20616bbbb87 [0,2,0,0,0,0|2,0,0]=4 2996 B9R0.4 CSCCN(C)C[C@@H](C)O b97f4c837b169e5a7f36139156d50d3d [0,2,0,0,0,0|2,0,0]=4 2997 B9R0.4 CSCCN(C)C[C@H](C)O 17d2f35bf0e04781e044579ddfe952c1 [0,2,0,0,0,0|2,0,0]=4 2998 B9R0.4 CSCOC(C)CC(C)C 70851217e2007512906574c16d2868f3 [0,2,0,0,0,0|2,0,0]=4 2999 B9R0.4 CSCO[C@@H](C)CC(C)C 7db7f2ef4a39ec1f9d885941b4e879f5 [0,2,0,0,0,0|2,0,0]=4 3000 B9R0.4 CSCO[C@H](C)CC(C)C 9b293636854abd7f9ffc3f6cdf715cfd [0,2,0,0,0,0|2,0,0]=4 3001 B9R0.4 C[C@@H](CN(C)C)NCCO 1324200677aa54d1c2ea19dcf73dcf67 [0,2,0,0,0,0|2,0,0]=4 3002 B9R0.4 C[C@@H](CN(C)C)OCCF dc07303339703716ebf8e8d5a4e7fa85 [0,2,0,0,0,0|2,0,0]=4 3003 B9R0.4 C[C@@H](CN(C)C)OCCS 278a89a7952754e8dff5e1659597b138 [0,2,0,0,0,0|1,1,0]=4 3004 B9R0.4 C[C@@H](O)CC(=O)NCCO e706ccfcca3ab825e8ef1abe6c510a65 [0,2,0,0,0,0|1,0,1]=4 3005 B9R0.4 C[C@@H](O)CN(C)CCCO 6f9361b2a4eab704b2db82e7d048b49b [0,2,0,0,0,0|2,0,0]=4 3006 B9R0.4 C[C@H](CN(C)C)NCCO 679914a90a774370de5153a346599845 [0,2,0,0,0,0|2,0,0]=4 3007 B9R0.4 C[C@H](CN(C)C)OCCF db0c3021ff4dfc868b13f7da99d8c16c [0,2,0,0,0,0|2,0,0]=4 3008 B9R0.4 C[C@H](CN(C)C)OCCS c9d5d0d283053a54048cd0015118be94 [0,2,0,0,0,0|1,1,0]=4 3009 B9R0.4 C[C@H](O)CC(=O)NCCO d5a139c3bfb8313edb0b04fbe3c45daa [0,2,0,0,0,0|1,0,1]=4 3010 B9R0.4 C[C@H](O)CN(C)CCCF 9eb192c6268760ed50b5f04cfac51d59 [0,2,0,0,0,0|2,0,0]=4 3011 B9R0.4 C[C@H](O)CN(C)CCCO 964f36d6f263cd80ac1d70d47ccc4d08 [0,2,0,0,0,0|2,0,0]=4 3012 B9R0.4 C[C@H](O)CN(C)CCCS a4cb8bbe8b92f2dc7c890ff96c849157 [0,2,0,0,0,0|2,0,0]=4 3013 B9R0.5 C#CCC(C)OCCCC 3a5366f38714e97cb3c833249cab808f [0,2,0,0,0,0|1,0,0]=3 3014 B9R0.5 C#CCC(C)OCCCF ca9a77f2b2f9b4e12cb5933a39c22b99 [0,2,0,0,0,0|2,0,0]=4 3015 B9R0.5 C#CCC(C)OCCCS 6b74946fc92f6d4a0ae21da24be31e5a [0,2,0,0,0,0|2,0,0]=4 3016 B9R0.5 C#CCC(C)OCCOC bc26ba4035de1699276fd3ed8b0074e2 [0,2,0,0,0,0|0,0,2]=4 3017 B9R0.5 C#CCC(C)OCCSC cc99c567953ea67be61deed9fa6d0744 [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.5 C#CCCCN(C)CCO 974c0fdf5deb92a562d2eff13adde4ea [0,2,0,0,0,0|1,0,1]=4 3019 B9R0.5 C#CCCNC(C)CCC 534f07b4509e18b4adc49021b08bc342 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.5 C#CCCN[C@@H](C)CCC 959fbd21791a554bc2c26a56f1750d84 [0,2,0,0,0,0|2,0,0]=4 3021 B9R0.5 C#CCCOC(=S)CCC d5e3e5bf11ed3e0160f0cb8e507cdb3d [0,2,0,0,0,0|1,0,1]=4 3022 B9R0.5 C#CCCOC(C)CCC a70aa8722baf3a9125f9432a7960a0be [0,2,0,0,0,0|1,0,0]=3 3023 B9R0.5 C#CCCOC(C)COC 56b7ee0519dc2d73d692497820b6bc12 [0,2,0,0,0,0|0,0,2]=4 3024 B9R0.5 C#CCCOC(C)CSC 37bc5a575ab2af672505c4830b183a55 [0,2,0,0,0,0|2,0,0]=4 3025 B9R0.5 C#CCCO[C@@H](C)CCC 1889342444b5986ac23fd7d8905b8696 [0,2,0,0,0,0|1,0,0]=3 3026 B9R0.5 C#CCCO[C@@H](C)COC a7a73b906b96ad278d5968c1d8a01f5c [0,2,0,0,0,0|0,0,2]=4 3027 B9R0.5 C#CCCO[C@H](C)CCC 03af549e529e38edc0177e403db447af [0,2,0,0,0,0|1,0,0]=3 3028 B9R0.5 C#CCCO[C@H](C)COC 681694f00400a91987f7c5dad2a76baf [0,2,0,0,0,0|0,0,2]=4 3029 B9R0.5 C#CCOCC(=O)CCC 7694f2ae952970840898af50771d0440 [0,2,0,0,0,0|1,0,1]=4 3030 B9R0.5 C#CCOCC(C)CCC 0845bb71eb89f7cb8e63dbf816f3ca7b [0,2,0,0,0,0|1,0,1]=4 3031 B9R0.5 C#CCOCC(C)COC 2952a06c2a58265f0211afa8e457544f [0,2,0,0,0,0|1,0,1]=4 3032 B9R0.5 C#CCOCC(C)OCC c341a0bdb6c89e64aa84e6a459135766 [0,2,0,0,0,0|1,0,1]=4 3033 B9R0.5 C#CCOC[C@@H](C)COC c9bee09791c87f3cfdfa22a7a1cfefe2 [0,2,0,0,0,0|1,0,1]=4 3034 B9R0.5 C#CCOC[C@@H](O)CCO 88a38498f498a9b5a026ba9dd3ca747a [0,2,0,0,0,0|1,0,1]=4 3035 B9R0.5 C/C=C/C(C)OCCCC fe4021be7eb9ddab5576a9db273dea52 [0,2,0,0,0,0|1,0,1]=4 3036 B9R0.5 C/C=C/C(C)OCCOC 52a09a4f8db03e2677f4d95e1bb22a34 [0,2,0,0,0,0|0,0,2]=4 3037 B9R0.5 C/C=C/COC(C)CCC a6e59ae28c0c34f6eedadaf099aafb27 [0,2,0,0,0,0|1,0,1]=4 3038 B9R0.5 C/C=C/COC(C)COC a8820994b1222a5bc0a4bb74d446a53f [0,2,0,0,0,0|0,0,2]=4 3039 B9R0.5 C/C=C/CO[C@@H](C)CCC b66297a329f1e1c26d05b6e0d0ac20df [0,2,0,0,0,0|1,0,1]=4 3040 B9R0.5 C/C=C/CO[C@@H](C)COC c8c78db8068f23625981f99e0c68aa6e [0,2,0,0,0,0|0,0,2]=4 3041 B9R0.5 C/C=C/CO[C@H](C)CCC 70aa5707c6d08668294aad6994e779dd [0,2,0,0,0,0|1,0,1]=4 3042 B9R0.5 C/C=C/CO[C@H](C)COC 53cbd2e9124d482478d708f03b5a3da0 [0,2,0,0,0,0|0,0,2]=4 3043 B9R0.5 C/C=C\COC(C)CCC 102d743543b548919f64c38591b0353c [0,2,0,0,0,0|1,0,1]=4 3044 B9R0.5 C/C=C\COC(C)COC 1b393c0a1af5ae660af7e5776941a727 [0,2,0,0,0,0|0,0,2]=4 3045 B9R0.5 C/C=C\CO[C@@H](C)CCC 15fdc9e2ab820da53fed20ee462f4ed6 [0,2,0,0,0,0|1,0,1]=4 3046 B9R0.5 C/C=C\CO[C@@H](C)COC 818b20b264e5205545bc9c1ae567341b [0,2,0,0,0,0|0,0,2]=4 3047 B9R0.5 C/C=C\CO[C@H](C)CCC ecef0772e98ee0244af99c76294d1d3d [0,2,0,0,0,0|1,0,1]=4 3048 B9R0.5 C/C=C\CO[C@H](C)COC aa41e620b0537ad3e4a15e3bee68570a [0,2,0,0,0,0|0,0,2]=4 3049 B9R0.5 C=CCC(C)CNCCO b1c76f86992fcbee1b7d1c7d41290de7 [0,2,0,0,0,0|1,0,1]=4 3050 B9R0.5 C=CCC(C)COCCC 7e85aeea39477af9cfd8878a56719121 [0,2,0,0,0,0|1,0,1]=4 3051 B9R0.5 C=CCC(C)COCCF 12ad3354c9de7333ac2f395be6b2a0bc [0,2,0,0,0,0|1,0,1]=4 3052 B9R0.5 C=CCC(C)COCCS 76896f423b3164fe05e153371b14e4c2 [0,2,0,0,0,0|0,1,1]=4 3053 B9R0.5 C=CCC(C)OCCCC f19d39a50fdfd6ad2267d2fbf05a2b41 [0,2,0,0,0,0|1,0,0]=3 3054 B9R0.5 C=CCC(C)OCCCF 4edc67beb73611d86e6b9151e356bc4c [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.5 C=CCC(C)OCCCS 8fb58b3b86c0c5267a4ab1f2d224c935 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.5 C=CCC(C)OCCOC e4ec277a3d48211c8ff932bd180ca329 [0,2,0,0,0,0|0,0,2]=4 3057 B9R0.5 C=CCC(C)OCCSC b0808a439ccba10c6a3608d770505a63 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.5 C=CCC(C)OCOCC d18e6b880e8a72ad6adcddc7e778e698 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.5 C=CCC(O)CNCCO 18f75708539087b7bba572b0d1a05faf [0,2,0,0,0,0|1,0,1]=4 3060 B9R0.5 C=CCCCN(C)CCO 72cf6aef435d8f7296648e5ec33265e8 [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.5 C=CCCNC(C)CCC 3371aa09ea9d2447d2686676bccef260 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.5 C=CCCN[C@@H](C)CCC cffaa158bfffbde18d6888855f7065f2 [0,2,0,0,0,0|2,0,0]=4 3063 B9R0.5 C=CCCOC(=S)CCC 2692822e92b8218c0255dd67b3275aa5 [0,2,0,0,0,0|1,0,1]=4 3064 B9R0.5 C=CCCOC(C)CCC 3bc391c8caa568c3a41dda672f336f05 [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.5 C=CCCOC(C)COC 5d7a764171653d68ee3a31db4323aa4b [0,2,0,0,0,0|0,0,2]=4 3066 B9R0.5 C=CCCOC(C)CSC 6e77e54f915a4d56dd8da3bcfc541ae8 [0,2,0,0,0,0|2,0,0]=4 3067 B9R0.5 C=CCCO[C@@H](C)CCC 634f8c2d0d3b6aefd8ef784383af89c4 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.5 C=CCCO[C@@H](C)COC 6fa109d6b46a8c2ebae920a4092421ff [0,2,0,0,0,0|0,0,2]=4 3069 B9R0.5 C=CCCO[C@H](C)CCC e04f21559b7527421350b2a9527639e7 [0,2,0,0,0,0|1,0,0]=3 3070 B9R0.5 C=CCCO[C@H](C)COC ca18e22a05344e0132c8d431221ab5a0 [0,2,0,0,0,0|0,0,2]=4 3071 B9R0.5 C=CCOCC(C)CCC 62c75ffd71b3ed1355d16fce7eaab29a [0,2,0,0,0,0|1,0,1]=4 3072 B9R0.5 C=CCOCC(C)COC 7968c9541f344195b0479b3ebe76f15f [0,2,0,0,0,0|1,0,1]=4 3073 B9R0.5 C=CCOCC(C)OCC c7937d8b96add574f0ffced7c8a82253 [0,2,0,0,0,0|1,0,1]=4 3074 B9R0.5 C=CCOC[C@@H](C)COC 1f1174e9ead5ed2c4bae73711b95888e [0,2,0,0,0,0|1,0,1]=4 3075 B9R0.5 C=CC[C@@H](C)OCCCC b20fd45ea1dd5c3cccb6f7a22cc0e480 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.5 C=CC[C@@H](C)OCCCF c2e0a3930e8897edb4f506c81640d196 [0,2,0,0,0,0|2,0,0]=4 3077 B9R0.5 C=CC[C@@H](C)OCCCS f7ee952b95448df3da874ad3d52e6a5a [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.5 C=CC[C@@H](C)OCCOC e752d2a4650c354823dd631bb7468314 [0,2,0,0,0,0|0,0,2]=4 3079 B9R0.5 C=CC[C@@H](C)OCCSC 47e9099c5bf04905aeb7f684d178ec35 [0,2,0,0,0,0|2,0,0]=4 3080 B9R0.5 C=CC[C@@H](C)OCOCC e88eac3aa749a45b6537d7a17edcb80d [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.5 C=CC[C@H](C)OCCCC 591b4bbc39f98a534a3a9dc1d5e7fa51 [0,2,0,0,0,0|1,0,0]=3 3082 B9R0.5 C=CC[C@H](C)OCCCF a2105db59e2af997db1aac1c4cfda0c8 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.5 C=CC[C@H](C)OCCCS 5dd0c5da5fcc540ac696a84caca62592 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.5 C=CC[C@H](C)OCCOC c40ce18f431d1bd81b31b3066c724ae2 [0,2,0,0,0,0|0,0,2]=4 3085 B9R0.5 C=CC[C@H](C)OCCSC ca7913c2f82d58437a355c2ae2d17341 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.5 C=CC[C@H](C)OCOCC 77674adcd34848cc46a039f770a66879 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.5 CC#CC(C)OCCCC 8420e9aafd76c9e176b0df5e8abe9c5b [0,2,0,0,0,0|1,0,1]=4 3088 B9R0.5 CC#CC(C)OCCOC 533e95564155be3bb03fe32827c49177 [0,2,0,0,0,0|0,0,2]=4 3089 B9R0.5 CC#CCOC(C)CCC c2358fc5f071491a25c68a89a29ed6b6 [0,2,0,0,0,0|1,0,1]=4 3090 B9R0.5 CC#CCOC(C)COC 45327f74461302579ebec99232e4511f [0,2,0,0,0,0|0,0,2]=4 3091 B9R0.5 CC(CC#N)OCCCF 911c3690f2b1b499ff62a9a2502ccf99 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.5 CC(CC#N)OCCCS dd8a9556ffb8d5ab8eb62203899f8a1c [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.5 CC(CCO)CNCCF c5626f7bc360715d7893a6788200129c [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.5 CC(CCO)CNCCO 502bb1e8584e1485b6de92325ec1e5cc [0,2,0,0,0,0|1,0,0]=3 3095 B9R0.5 CC(CCO)CNCCS 751b7f9fa712b32522dda9e3430ce117 [0,2,0,0,0,0|1,1,0]=4 3096 B9R0.5 CC(CCO)NCCCCl 3b3b38d997c91d3791879582bd042ad8 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.5 CC(CCO)NCCCF 41aac068e7a4d471a8a3e7f46ccd56c1 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.5 CC(CCO)NCCCO 1becfeb7b0589e048c0b36577d80a14e [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.5 CC(CCO)NCCCS 660c8ca7a16781d648bafad85dbe5992 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.5 CC(CCO)NCCON f337ccdc24455598f91f13670c602a0d [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.5 CC/C=C/CN(C)CCO 667390f866a9bdc0dd57eb2515bb8f8d [0,2,0,0,0,0|1,0,1]=4 3102 B9R0.5 CC=CC(C)OCCCC ac5240649470c3f452111f552f4c343a [0,2,0,0,0,0|1,0,1]=4 3103 B9R0.5 CC=CC(C)OCCOC aadec6afac119b6494b05572dd66ea5f [0,2,0,0,0,0|0,0,2]=4 3104 B9R0.5 CC=CCOC(C)CCC 66499cff6ab08d1e7101b8388f2409de [0,2,0,0,0,0|1,0,1]=4 3105 B9R0.5 CC=CCOC(C)COC dc8d4a477db7b2a9c5ec23fd8c4bbaff [0,2,0,0,0,0|0,0,2]=4 3106 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.5 CCCC(=O)CNCCI e6c431c6a36f932e7e7bd540be83f7d4 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.5 CCCC(=O)CNCCO 19eaae24439cf65d8d2d752c6a63c8d7 [0,2,0,0,0,0|1,0,0]=3 3110 B9R0.5 CCCC(=O)CNCCS 1dd21d52255aa998e3f67c462a833edf [0,2,0,0,0,0|1,1,0]=4 3111 B9R0.5 CCCC(=O)COCC#N 35c92dcfc70a5aabec5ac519eee3f9a5 [0,2,0,0,0,0|1,0,1]=4 3112 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [0,2,0,0,0,0|1,0,0]=3 3113 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [0,2,0,0,0,0|0,1,0]=3 3114 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.5 CCCC(=O)NCCCO 592c3668cf1954e32eae53f9d9310fe4 [0,2,0,0,0,0|1,0,1]=4 3116 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [0,2,0,0,0,0|1,0,1]=4 3117 B9R0.5 CCCC(=O)NCCON 2667b617ce33939f360a2d9f69c758c4 [0,2,0,0,0,0|1,0,1]=4 3118 B9R0.5 CCCC(=S)OCCC#N 4d59f3d5d598722c51a17a6ae837b460 [0,2,0,0,0,0|1,0,1]=4 3119 B9R0.5 CCCC(=S)OCCC=O 141f60b34558e8dbf5ffba7be4ff80f9 [0,2,0,0,0,0|0,0,2]=4 3120 B9R0.5 CCCC(=S)OCCCF 656dc88ae36c655edad34b161382f41a [0,2,0,0,0,0|1,0,1]=4 3121 B9R0.5 CCCC(=S)OCCCS 23b64448f461e9f987487e187aec0d4a [0,2,0,0,0,0|0,1,1]=4 3122 B9R0.5 CCCC(=S)OCCOC 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CCCC(C)NCCSC 5a102ef2f927e2083554cc79563295b6 [0,2,0,0,0,0|1,1,0]=4 3148 B9R0.5 CCCC(C)NCOCC ee05940e888c279a454284b6a0da33b8 [0,2,0,0,0,0|2,0,0]=4 3149 B9R0.5 CCCC(C)OC/C=C/Cl 9b1176057bc3dc0293008b226385b48c [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.5 CCCC(C)OC/C=C\Cl 82d50d25ec2f924793514f13a7905ea5 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.5 CCCC(C)OCC#CI 7da2003ca2ef2d2e8e612699afbbbe72 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.5 CCCC(C)OCC=CCl 443c97c407ee4b714eecb70fe42a75d7 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.5 CCCC(C)OCCC#N 19ada0dba3fb050d1348d3566c5c5ca7 [0,2,0,0,0,0|1,0,0]=3 3154 B9R0.5 CCCC(C)OCCC=O 075091b3402d4383d6ae76faf45828e2 [0,2,0,0,0,0|0,0,1]=3 3155 B9R0.5 CCCC(C)OCCCF 4e9747e2d6b2c5386230800523638aa2 [0,2,0,0,0,0|1,0,0]=3 3156 B9R0.5 CCCC(C)OCCCS 31bb2609b5394c7a115342253a9a46b7 [0,2,0,0,0,0|0,1,0]=3 3157 B9R0.5 CCCC(C)OCCOC c2e6ce8981bbd0e5e7a872140ce09c7e [0,2,0,0,0,0|0,0,0]=2 3158 B9R0.5 CCCC(C)OCCSC b02b2d120691841f6ce9a1d734fc587b [0,2,0,0,0,0|0,1,0]=3 3159 B9R0.5 CCCC(C)OCSC#N 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[0,2,0,0,0,0|2,0,0]=4 3172 B9R0.5 CCCCCN(C)CCF c929099b696e86ca8a9f711c65c978ae [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.5 CCCCCN(C)CCO 34410e1ec8513358afcc09dffe161858 [0,2,0,0,0,0|1,0,0]=3 3174 B9R0.5 CCCCCN(C)CCS 4f1dccd506465b82e3719d813f1669cf [0,2,0,0,0,0|1,1,0]=4 3175 B9R0.5 CCCCCN(C)COC 962ac7aa69c9adf59a4c23134026ede4 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [0,2,0,0,0,0|2,0,0]=4 3177 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [0,2,0,0,0,0|2,0,0]=4 3178 B9R0.5 CCCCC[C@H](C)NCC 0e1700ce314a2064321bc997ef4f9348 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.5 CCCCC[C@H](C)NCF 69aa97aecc0791c0b87af3dfc98d2c2b [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.5 CCCCC[C@H](C)NCO dadd1abcf3546c9c0b9e976ac187033b [0,2,0,0,0,0|1,0,0]=3 3181 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [0,2,0,0,0,0|1,0,0]=3 3186 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [0,2,0,0,0,0|1,1,0]=4 3187 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [0,2,0,0,0,0|1,0,1]=4 3188 B9R0.5 CCCCNC(=O)CON ff8aaf07597bc421ccecffa926ce5e77 [0,2,0,0,0,0|1,0,1]=4 3189 B9R0.5 CCCCNC(C)CC#N 1014fcfc8d14e6369119e3e31a241f11 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.5 CCCCNC(C)CCC 06cd3d4eadb838cea410097bf17bae5e [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.5 CCCCNC(C)CCO 060a7a1335f70c0676cfbb86f416e991 [0,2,0,0,0,0|1,0,0]=3 3192 B9R0.5 CCCCNC(C)COC 8021317d143fe74bc4de849e2a843e02 [0,2,0,0,0,0|1,0,0]=3 3193 B9R0.5 CCCCN[C@@H](C)CCC ab2be22024a2e965b1370aa5fe48dbdb [0,2,0,0,0,0|2,0,0]=4 3194 B9R0.5 CCCCN[C@@H](C)CCO cd3d50136741c2b9579e5ce175e949c5 [0,2,0,0,0,0|1,0,0]=3 3195 B9R0.5 CCCCN[C@@H](C)COC cdbee656892f2d069b5a9f437e42a186 [0,2,0,0,0,0|1,0,0]=3 3196 B9R0.5 CCCCN[C@H](C)CCO fc9bdedfd734c26acec6b6121aa8cb84 [0,2,0,0,0,0|1,0,0]=3 3197 B9R0.5 CCCCN[C@H](C)COC 0bd1a16deaecd7846b5d6903e134942d [0,2,0,0,0,0|1,0,0]=3 3198 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [0,2,0,0,0,0|1,0,0]=3 3199 B9R0.5 CCCCOC(C)CC#N dc550f349a82116f85657a0d2002a899 [0,2,0,0,0,0|1,0,0]=3 3200 B9R0.5 CCCCOC(C)CCC 92f21439e18e4a0212372a80f0159639 [0,2,0,0,0,0|1,0,0]=3 3201 B9R0.5 CCCCOC(C)COC ba4e551fe4b685878d8e23a8545ffdea [0,2,0,0,0,0|0,0,0]=2 3202 B9R0.5 CCCCOC(C)CSC a8cdef8b35f4519dea5c9afc41578fcb [0,2,0,0,0,0|0,1,0]=3 3203 B9R0.5 CCCCO[C@@H](C)CC#N 15633171214313bdbf0d6219c223b8e1 [0,2,0,0,0,0|1,0,0]=3 3204 B9R0.5 CCCCO[C@@H](C)CCC 5b752837ff25253bec29faef567e59b2 [0,2,0,0,0,0|1,0,0]=3 3205 B9R0.5 CCCCO[C@@H](C)COC fdc2da5dba6e3d0a9e63de45ba95a113 [0,2,0,0,0,0|0,0,0]=2 3206 B9R0.5 CCCCO[C@H](C)CC#N 5b296b139d7187479322571820e88884 [0,2,0,0,0,0|1,0,0]=3 3207 B9R0.5 CCCCO[C@H](C)CCC 5384ca464c5bc70cb67ae7c0e1b63cd2 [0,2,0,0,0,0|1,0,0]=3 3208 B9R0.5 CCCCO[C@H](C)COC 15bbc144a56a666747dad75b1789a610 [0,2,0,0,0,0|0,0,0]=2 3209 B9R0.5 CCCN(C)CC#CCO 2a008a5ff613fe55c78a77957e161b5c [0,2,0,0,0,0|1,0,1]=4 3210 B9R0.5 CCCN(C)CCCCF e9f7620b25cc1b11cc58a4773b3440d8 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.5 CCCN(C)CCCCO 3d32b13ab18b3ef9a88401c3421fd62f [0,2,0,0,0,0|1,0,0]=3 3212 B9R0.5 CCCN(C)CCCOC ad2eae02b2bb95cfc8387466db00f5d9 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.5 CCCN(C)CCCSC f37fcd165281d2dbd151714cacb81d9c [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.5 CCCN(C)CCOCC 3efa632175c182f0136a621fef8d4de7 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.5 CCCN(C)CCSCC bd455319f75a94bc5c501e0018a20f8c [0,2,0,0,0,0|2,0,0]=4 3216 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [0,2,0,0,0,0|2,0,0]=4 3217 B9R0.5 CCCNCC(=O)NCO 0eb1e391e229900686c61210a46d0652 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.5 CCCNCC(C)CCC 54d28908b8e1ac09d7a9108b606f57e0 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.5 CCCNCC(C)CCO 47e0bbb51b8a79c96dd13c961ecc0dea [0,2,0,0,0,0|1,0,0]=3 3220 B9R0.5 CCCNCC(C)OCC 67b61dd333dbaac4f86976019539379e [0,2,0,0,0,0|2,0,0]=4 3221 B9R0.5 CCCNCC(O)CCC 3d957147f5d37c2bce44ac77f80f84a5 [0,2,0,0,0,0|2,0,0]=4 3222 B9R0.5 CCCNCC(O)COC 5f738e26a93bd5e6157dfb0a62e3a620 [0,2,0,0,0,0|2,0,0]=4 3223 B9R0.5 CCCNC[C@@H](O)CCO 0911566ceb0cc95fa86b387a531110c6 [0,2,0,0,0,0|1,0,0]=3 3224 B9R0.5 CCCNC[C@H](O)COC 6fd1326b6f8389bef3955d38e292fd6f [0,2,0,0,0,0|2,0,0]=4 3225 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [0,2,0,0,0,0|1,0,1]=4 3227 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [0,2,0,0,0,0|1,0,1]=4 3228 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [0,2,0,0,0,0|1,0,1]=4 3229 B9R0.5 CCCOCC(C)CCC 991f1db54286263be3e664fb478a931d [0,2,0,0,0,0|1,0,0]=3 3230 B9R0.5 CCCOCC(C)OCC a9309e87d325b6f2b1644b3d0636499f [0,2,0,0,0,0|1,0,0]=3 3231 B9R0.5 CCCOCC(C)OCF 3c217a0a0555b3f9e34d23a6269a5c80 [0,2,0,0,0,0|2,0,0]=4 3232 B9R0.5 CCCOC[C@@H](O)CCO 8f4ac1d9a59c7be3b1d0e4ed72d56dee [0,2,0,0,0,0|1,0,0]=3 3233 B9R0.5 CCC[C@@H](C)OC/C=C/Cl 9c62cd466f4256598eed6707750ad86e [0,2,0,0,0,0|1,0,1]=4 3234 B9R0.5 CCC[C@@H](C)OC/C=C\Cl ab8c6761881a955c818a124e3e6a09ec [0,2,0,0,0,0|1,0,1]=4 3235 B9R0.5 CCC[C@@H](C)OCCC#N ffcf4d38d3fe60c8a23e82850f279549 [0,2,0,0,0,0|1,0,0]=3 3236 B9R0.5 CCC[C@@H](C)OCCC=O 3bd84e647c49cab84f4c3f78c7f376dd [0,2,0,0,0,0|0,0,1]=3 3237 B9R0.5 CCC[C@@H](C)OCCCF b78bfe38684aeafd56cb91d1a9a8a01b [0,2,0,0,0,0|1,0,0]=3 3238 B9R0.5 CCC[C@@H](C)OCCCS 24372301ed9c92789ef5ed79f335e943 [0,2,0,0,0,0|0,1,0]=3 3239 B9R0.5 CCC[C@@H](C)OCCOC 004b950db0a41fee3b95494fd30abe99 [0,2,0,0,0,0|0,0,0]=2 3240 B9R0.5 CCC[C@@H](C)OCCSC 43e6641b50af016cd80a01869d7ad946 [0,2,0,0,0,0|0,1,0]=3 3241 B9R0.5 CCC[C@@H](C)OCSC#N 35d84bd1daaab22a593da002e173612c [0,2,0,0,0,0|1,0,1]=4 3242 B9R0.5 CCC[C@H](C)NC/C=C\O 8d52c9d789e30bf7c68d63162492dc07 [0,2,0,0,0,0|1,0,1]=4 3243 B9R0.5 CCC[C@H](C)NCCC#N e51f49cf2856f40bb5d689eddb0efe39 [0,2,0,0,0,0|2,0,0]=4 3244 B9R0.5 CCC[C@H](C)NCCC=O 8965a7a737d28b5a320abc650f4b57db [0,2,0,0,0,0|1,0,1]=4 3245 B9R0.5 CCC[C@H](C)NCCCF 47bc8e90817b8ea1ca2bd6e3b2feb1e7 [0,2,0,0,0,0|2,0,0]=4 3246 B9R0.5 CCC[C@H](C)NCCCO b55f9f9c5d2b5585fcebd32b6ae9676f [0,2,0,0,0,0|1,0,0]=3 3247 B9R0.5 CCC[C@H](C)NCCCS fc4b2888e6bd1af3fc673920439a6d19 [0,2,0,0,0,0|1,1,0]=4 3248 B9R0.5 CCC[C@H](C)NCCOC cf07519eec3d96fa560e863513eb20cb [0,2,0,0,0,0|1,0,0]=3 3249 B9R0.5 CCC[C@H](C)NCCSC b36f1d3a7cec566fb6c4090de96246ad [0,2,0,0,0,0|1,1,0]=4 3250 B9R0.5 CCC[C@H](C)NCOCC 4edd7e2bb5285d00694c164c618394c3 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.5 CCC[C@H](C)OC/C=C/Cl 268aae28e2e07dc1e0cbb1618cf82c12 [0,2,0,0,0,0|1,0,1]=4 3252 B9R0.5 CCC[C@H](C)OC/C=C\Cl 027fbf088883a2e69419ad8b219a4796 [0,2,0,0,0,0|1,0,1]=4 3253 B9R0.5 CCC[C@H](C)OCCC#N 16635591ace8d8f607160d1235639919 [0,2,0,0,0,0|1,0,0]=3 3254 B9R0.5 CCC[C@H](C)OCCC=O 5603414e98a7234f79a82c4a13052426 [0,2,0,0,0,0|0,0,1]=3 3255 B9R0.5 CCC[C@H](C)OCCCF 6c166b3b2e9a49f3214d1221aa05a7b9 [0,2,0,0,0,0|1,0,0]=3 3256 B9R0.5 CCC[C@H](C)OCCCS 185072ad1451feb386e475848ae0f455 [0,2,0,0,0,0|0,1,0]=3 3257 B9R0.5 CCC[C@H](C)OCCOC 35df3d9129885ef4f47846403feb0737 [0,2,0,0,0,0|0,0,0]=2 3258 B9R0.5 CCC[C@H](C)OCCSC 1b7c51f97c66b74c463df2639602e625 [0,2,0,0,0,0|0,1,0]=3 3259 B9R0.5 CCC[C@H](C)OCSC#N bb859bc25723238aa56d44a8e293bf5e [0,2,0,0,0,0|1,0,1]=4 3260 B9R0.5 CCNC(=O)CNCCO 442a95bc56d02077e9b0f659a35d10bf [0,2,0,0,0,0|1,0,1]=4 3261 B9R0.5 CCNC(=O)COCCF 812c23840362a8ca0725db39d692bb07 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.5 CCNC(=O)COCCS 72830f9544a815a06bd3444d77122c12 [0,2,0,0,0,0|0,1,1]=4 3263 B9R0.5 CCNCCN(C)CCO 1ffc24ae71008401a26efb48c9fac007 [0,2,0,0,0,0|1,0,0]=3 3264 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|1,0,1]=4 3266 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|0,1,1]=4 3267 B9R0.5 CCOC(C)CNCCF 870ea2d499981b253089779428d6d86a [0,2,0,0,0,0|2,0,0]=4 3268 B9R0.5 CCOC(C)CNCCO cd4f3682ea895747900fcd8122ea1a0d [0,2,0,0,0,0|1,0,0]=3 3269 B9R0.5 CCOC(C)CNCCS a604d759e01f5df57652ba792102d3aa [0,2,0,0,0,0|1,1,0]=4 3270 B9R0.5 CCOC(C)COCC#N 410ae9ecf7aaf84ae3bf8ba06d3f51e4 [0,2,0,0,0,0|1,0,1]=4 3271 B9R0.5 CCOC(C)COCC=O 6735ed8d4a4675a4fe4153179dde31c8 [0,2,0,0,0,0|0,0,2]=4 3272 B9R0.5 CCOC(C)COCCF dd36371eacdbc99004d10c271349acd4 [0,2,0,0,0,0|1,0,0]=3 3273 B9R0.5 CCOC(C)COCCS c7c2bcc8f3e03e9f47223219f81c8b1f [0,2,0,0,0,0|0,1,0]=3 3274 B9R0.5 CCOC(C)COCOC 85153869453556ba60238e00dabccc4f [0,2,0,0,0,0|2,0,0]=4 3275 B9R0.5 CCOC(C)COCSC 5bca448d87a75d6304bc9a4f11e6dc4e [0,2,0,0,0,0|2,0,0]=4 3276 B9R0.5 CCOCCN(C)CCF 5bc94eb51e7f437819acabe533ce54eb [0,2,0,0,0,0|2,0,0]=4 3277 B9R0.5 CCOCCN(C)CCO 7b0751b3c9dbaa28c57fe38726cc4787 [0,2,0,0,0,0|1,0,0]=3 3278 B9R0.5 CCOCCN(C)CCS 60204c906fc56e69df8ae486d745cd79 [0,2,0,0,0,0|1,1,0]=4 3279 B9R0.5 CCOCNC(C)CCO ed76d68e4cc7932a3b62987eb87513f0 [0,2,0,0,0,0|2,0,0]=4 3280 B9R0.5 CCOCNC(C)COC 0d03179ebfb31ec50b84189d62b613f1 [0,2,0,0,0,0|2,0,0]=4 3281 B9R0.5 CCOCN[C@@H](C)CCO 47ffca4134ba353b1c37b620d698e11e [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.5 CCOCN[C@@H](C)COC 6afc2c64e69005652e7a61f78527d052 [0,2,0,0,0,0|2,0,0]=4 3283 B9R0.5 CCOCN[C@H](C)CCO 054c0e5c7356fe7a28389eaf431e5fcf [0,2,0,0,0,0|2,0,0]=4 3284 B9R0.5 CCOCN[C@H](C)COC 4545617eb23cabd7253ac20a19461843 [0,2,0,0,0,0|2,0,0]=4 3285 B9R0.5 CCOCOC(C)CSC 5697b58cfdbfee491b4e7a18fbf4d3c5 [0,2,0,0,0,0|1,1,0]=4 3286 B9R0.5 CCSCCN(C)CCF 4bf68c98223b364a1b9ae457c5421f7e [0,2,0,0,0,0|2,0,0]=4 3287 B9R0.5 CCSCCN(C)CCO bf674e3b480dd92312b91a4d62c6684f [0,2,0,0,0,0|1,0,0]=3 3288 B9R0.5 CN(CCF)CCCCF ef1eba7a2a3a03865d77ab5f3caf1c7f [0,2,0,0,0,0|2,0,0]=4 3289 B9R0.5 CN(CCF)CCCCO d7d0179f544a4105236d84488f729a62 [0,2,0,0,0,0|2,0,0]=4 3290 B9R0.5 CN(CCO)CCCC#N 41dcd26d8efbe383316b64fc8f92cf83 [0,2,0,0,0,0|1,0,1]=4 3291 B9R0.5 CN(CCO)CCCC=O 618e3514c562728808d02f6c835e3847 [0,2,0,0,0,0|1,0,1]=4 3292 B9R0.5 CN(CCO)CCCCF d982ddb3071362d8c50a1f431b9f5eef [0,2,0,0,0,0|1,0,0]=3 3293 B9R0.5 CN(CCO)CCCCO d44971a64a6c82449d6be77041ad76c6 [0,2,0,0,0,0|1,0,0]=3 3294 B9R0.5 CN(CCO)CCNCF 95bab4a19a39a22a861e456f4bd40242 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.5 CN(CCO)CCNCO d4e0d1c6f97ecf837a4b8c06c69a6861 [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.5 CN(CCS)CCCCO bf9f2990a9ac441c351cc8d974fe5692 [0,2,0,0,0,0|1,1,0]=4 3297 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [0,2,0,0,0,0|1,0,1]=4 3298 B9R0.5 COCC(=O)COCCS 4c50ce8dad8eb47119f9c3bca158fc1a [0,2,0,0,0,0|0,1,1]=4 3299 B9R0.5 COCC(C)COCC#N f328fa8e533eb3eb63b9782d42d2de5d [0,2,0,0,0,0|1,0,1]=4 3300 B9R0.5 COCC(C)COCC=O 3384b3b68006ae88937e9b7190c22f19 [0,2,0,0,0,0|0,0,2]=4 3301 B9R0.5 COCC(C)COCCF b29d6ed60f5495ef170f17402f9000dd [0,2,0,0,0,0|1,0,0]=3 3302 B9R0.5 COCC(C)COCCS 6239a477e7e9e89b639a0e3278b752e7 [0,2,0,0,0,0|0,1,0]=3 3303 B9R0.5 COCC(C)COCSC a624a1210dd5d761c4100cbd9f874d6b [0,2,0,0,0,0|2,0,0]=4 3304 B9R0.5 COCC(C)NCCCCl ef0a280631f9aa653c74a8abcca5255c [0,2,0,0,0,0|2,0,0]=4 3305 B9R0.5 COCC(C)NCCCF 704d8c9f23df877bca7e4d7ff173094c [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.5 COCC(C)NCCCO b0a69ad3fd9da9b704eed05b95f7f925 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.5 COCC(C)NCCCS 65e13ee027b9f0ee36ae20fece299a3b [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.5 COCC(C)NCCON 7da74f066e7a631f174e041052e27ac2 [0,2,0,0,0,0|2,0,0]=4 3309 B9R0.5 COCC(C)NCCSC 8a2d83bb9df133e55c17e43691585457 [0,2,0,0,0,0|2,0,0]=4 3310 B9R0.5 COCC(C)OCCC#N cb76801445cbbc3b561188d996b6326b [0,2,0,0,0,0|1,0,1]=4 3311 B9R0.5 COCC(C)OCCC=O 9dbf86a21160103535d5e1a32d202237 [0,2,0,0,0,0|1,0,1]=4 3312 B9R0.5 COCC(C)OCCCF e6fd0b10e826fb28a4f531fd6c6ba9f1 [0,2,0,0,0,0|1,0,0]=3 3313 B9R0.5 COCC(C)OCCCS 73185628ec9dd62c4fa14cee817b9d94 [0,2,0,0,0,0|1,0,0]=3 3314 B9R0.5 COCC(C)OCCSC 4ad36be4022714614597cf6be1fb6b46 [0,2,0,0,0,0|1,0,0]=3 3315 B9R0.5 COCC(O)CNCCBr eeeb5962725c0095550135bc4d28bd32 [0,2,0,0,0,0|2,0,0]=4 3316 B9R0.5 COCC(O)CNCCF 8d8402c62ba3ce056aa2fb55a174f19a [0,2,0,0,0,0|2,0,0]=4 3317 B9R0.5 COCC(O)CNCCI 6aada45eceff2824c8d46faf585750eb [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.5 COCC(O)CNCCO 6b112fd5bf39926dffce30e94a9664be [0,2,0,0,0,0|1,0,0]=3 3319 B9R0.5 COCC(O)CNCCS edf38199c9879a0b2e9694fc2f0eca97 [0,2,0,0,0,0|1,1,0]=4 3320 B9R0.5 COCCCN(C)CCF 2057e2a76223b903545df6d6c9a0e3f5 [0,2,0,0,0,0|2,0,0]=4 3321 B9R0.5 COCCCN(C)CCO c9ee309076e001e54d2fda20941e7f10 [0,2,0,0,0,0|1,0,0]=3 3322 B9R0.5 COCCCN(C)CCS d96f90963fe58fdc013d3f629f59e80f [0,2,0,0,0,0|1,1,0]=4 3323 B9R0.5 COCCNC(=O)CCO da506b7eb06569e31b2bdbe6c4e1e62a [0,2,0,0,0,0|2,0,0]=4 3324 B9R0.5 COCCNC(C)CCO dd43cb1be698823eed01f49afff06555 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.5 COCCNC(C)COC 670eafe93cdaebfbb275b9b8d9a54f1c [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.5 COCCN[C@@H](C)CCO 52a78b8441c56218c6399a4cb692e9d1 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.5 COCCN[C@@H](C)COC cc56fdef7a64aa0e88d456314d0e889b [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.5 COCCN[C@H](C)CCO 8cd8dfa46e1de35eec1e9fed664924bb [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.5 COCCN[C@H](C)COC caeb54bc0e8229cda5117e93132b0f95 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.5 COCCOC(C)CC#N 646ec72044a4e6252f37f8fca3148d01 [0,2,0,0,0,0|1,0,1]=4 3331 B9R0.5 COCCOC(C)COC fe2edae2af9bc2e142dbf40b56328594 [0,2,0,0,0,0|1,0,0]=3 3332 B9R0.5 COCCOC(C)CSC 0afb629d62361f45c892180dca83993f [0,2,0,0,0,0|1,0,0]=3 3333 B9R0.5 COCCO[C@@H](C)CC#N 8cecf1b25926aceffa69690c63a202e8 [0,2,0,0,0,0|1,0,1]=4 3334 B9R0.5 COCCO[C@@H](C)COC 06c83328566ee10486ab47d3712ecb89 [0,2,0,0,0,0|1,0,0]=3 3335 B9R0.5 COCCO[C@H](C)CC#N 6084b79a34bca99ac10dd731dfdafb7c [0,2,0,0,0,0|1,0,1]=4 3336 B9R0.5 COCCO[C@H](C)COC 1c86040bd10202df1d1b76b8ed2a6cf6 [0,2,0,0,0,0|1,0,0]=3 3337 B9R0.5 COCN(C)CCCCO 4cd66c5afcea0d08088e6a3f9b04a8a7 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.5 COCNCC(C)CCO 916d4e97517893762f8fc92a40101dfb [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.5 COCOC[C@@H](O)CCO a2dad40c9cbd71080e97e15bfb2e8e5d [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.5 COC[C@@H](C)NCCCF bf7f4cb29d6a7d5fa3f9e5c6712376d4 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.5 COC[C@@H](C)NCCCO 4cf4811ff3c6723d99acc80abc096824 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.5 COC[C@@H](C)NCCCS 825f516413dbb8bbea1485cab1c5b2ee [0,2,0,0,0,0|2,0,0]=4 3343 B9R0.5 COC[C@@H](C)NCCSC 5500d32a6a35864280e74ee0f0adfb56 [0,2,0,0,0,0|2,0,0]=4 3344 B9R0.5 COC[C@@H](C)OCCC#N dff6f54a8b1d4c2b22ab1dac0a2916e2 [0,2,0,0,0,0|1,0,1]=4 3345 B9R0.5 COC[C@@H](C)OCCC=O 1878b95e9f8b2ae0da6c47a7441586dc [0,2,0,0,0,0|1,0,1]=4 3346 B9R0.5 COC[C@@H](C)OCCCF c0c8f976d435baccc6275957150aec1f [0,2,0,0,0,0|1,0,0]=3 3347 B9R0.5 COC[C@@H](C)OCCCS 00e650e63bd75eb58934db63dffb7af1 [0,2,0,0,0,0|1,0,0]=3 3348 B9R0.5 COC[C@@H](C)OCCSC ad806fa6343d16ccd8245838f952bdde [0,2,0,0,0,0|1,0,0]=3 3349 B9R0.5 COC[C@@H](O)CNCCF 666da2f6665cf7f53b5639633c90bbfe [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.5 COC[C@@H](O)CNCCO a99c4270f07bb6ae5177d06504ba3f96 [0,2,0,0,0,0|1,0,0]=3 3351 B9R0.5 COC[C@@H](O)CNCCS 8519076349138c304a135563bf671de3 [0,2,0,0,0,0|1,1,0]=4 3352 B9R0.5 COC[C@H](C)COCC#N 134cd10c5d4048df11ce99e9ca432349 [0,2,0,0,0,0|1,0,1]=4 3353 B9R0.5 COC[C@H](C)COCC=O 9ba7ae727f991a2d31d3f4bbf5bfafc3 [0,2,0,0,0,0|0,0,2]=4 3354 B9R0.5 COC[C@H](C)COCCF 82d2fe57a0edc1a171b72298fc1a0be0 [0,2,0,0,0,0|1,0,0]=3 3355 B9R0.5 COC[C@H](C)COCCS b37d093375624311a5eb40476846c70b [0,2,0,0,0,0|0,1,0]=3 3356 B9R0.5 COC[C@H](C)COCSC 8d47dd89387d74aef86dfb118a66ff1f [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.5 COC[C@H](C)NCCCF 47f98f775c1547944d2f6a0d72884ee5 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.5 COC[C@H](C)NCCCO d2a537ebbd69da7a5b2fb91923d57892 [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.5 COC[C@H](C)NCCCS fbd14e4dec6c4456d79e12befb36b127 [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.5 COC[C@H](C)NCCSC 173f1b918ece43c258f3220f3ed7abea [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.5 COC[C@H](C)OCCC#N d27663d9ffcf48a1c2f4fc2e9c655fe6 [0,2,0,0,0,0|1,0,1]=4 3362 B9R0.5 COC[C@H](C)OCCC=O cdcfeab974dcf787b65a1e1a858be05d [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.5 COC[C@H](C)OCCCF daa96c53b08acea59daea3ed957c008f [0,2,0,0,0,0|1,0,0]=3 3364 B9R0.5 COC[C@H](C)OCCCS 405456ef23f43a6cabf810c9eb07939b [0,2,0,0,0,0|1,0,0]=3 3365 B9R0.5 COC[C@H](C)OCCSC 51d5b1a85d1808678167f1e587a20a9f [0,2,0,0,0,0|1,0,0]=3 3366 B9R0.5 CSCC(C)OCCC#N 71ecf19abbcaa2d12d42e0c59634689c [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.5 CSCC(C)OCCC=O a28892617707d880aa61248959cd2e72 [0,2,0,0,0,0|1,0,1]=4 3368 B9R0.5 CSCC(C)OCCCF 293589df101022d1a2fef2142c3b0324 [0,2,0,0,0,0|1,1,0]=4 3369 B9R0.5 CSCC(C)OCCCS 6d7e1790ab4a7c6769b4ca3e7bfc564f [0,2,0,0,0,0|1,1,0]=4 3370 B9R0.5 CSCCCN(C)CCF cb413692e954fea71453d804f71be37f [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.5 CSCCCN(C)CCO 7bd23df69ab0423c16ebe0f12bf2cea8 [0,2,0,0,0,0|1,0,0]=3 3372 B9R0.5 CSCCNC(=O)CCO 43f57de6b29a2d1d41363767bdf0c9f1 [0,2,0,0,0,0|2,0,0]=4 3373 B9R0.5 CSCCNC(C)CCO 41d929f7f09cc73756558b700bd2f70e [0,2,0,0,0,0|2,0,0]=4 3374 B9R0.5 CSCCN[C@@H](C)CCO fcf394f6936b4abcf8fd00f9e0aff603 [0,2,0,0,0,0|2,0,0]=4 3375 B9R0.5 CSCCN[C@H](C)CCO e47ff18597a8e48098c9028ec5d79bf2 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.5 CSCCOC(C)CC#N 9aa7c018a4cacdb14f096c2c0aa1a072 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.5 CSCCOC(C)CSC 0165efdac1c775668632d38f12459a3f [0,2,0,0,0,0|1,1,0]=4 3378 B9R0.5 CSCCO[C@@H](C)CC#N 40682e2d3b933666690b902f5dd9e298 [0,2,0,0,0,0|2,0,0]=4 3379 B9R0.5 CSCCO[C@H](C)CC#N 899126512cd7ebd71869c6862ee8a8c4 [0,2,0,0,0,0|2,0,0]=4 3380 B9R0.5 CSCN(C)CCCCO 9887ddd494943b168bb075a32c092c12 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.5 CSCNCC(C)CCO fb037a76e92b22d3c6473e5979785511 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.5 C[C@@H](CC#N)OCCCF d19163e80a0a5ed4ceab09b85af92921 [0,2,0,0,0,0|2,0,0]=4 3383 B9R0.5 C[C@@H](CC#N)OCCCS abbcbf9c7af3286a0f1b79826f215e7a [0,2,0,0,0,0|2,0,0]=4 3384 B9R0.5 C[C@@H](CCO)NCCCF d3ca05ac65a52a8a596d07c2d0fce07c [0,2,0,0,0,0|2,0,0]=4 3385 B9R0.5 C[C@@H](CCO)NCCCO ba1decc7624c9a5cc0d7dc70f1d78beb [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.5 C[C@@H](CCO)NCCCS 826a7492d0befd216dae3dca711bba6e [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.5 C[C@H](CC#N)OCCCF 88781ea52e4e4b0fb92f6f15fdc250b3 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.5 C[C@H](CC#N)OCCCS 65214d6158617f6ce9ff0e4a73b8ce36 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.5 C[C@H](CCO)NCCCF 5783a6016a1d94c75bb6de43bacf6a55 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.5 C[C@H](CCO)NCCCO 4245e5edcc3f9437959925257a50fe42 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.5 C[C@H](CCO)NCCCS 00353a6451c5d00e2fb4b626319c1b5a [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.5 N#CCC(O)CNCCO 809bf06301f260ee8ccc6a5ce33918ac [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.5 N#CCOC[C@@H](O)CCO b3ef7a5365485268c791b00c5064d1f4 [0,2,0,0,0,0|1,0,1]=4 3394 B9R0.5 N#CC[C@@H](O)CNCCO 9e3249be85af230e9a104f06cb6ccb31 [0,2,0,0,0,0|1,0,1]=4 3395 B9R0.5 N#CC[C@H](O)CNCCO 6329f64d2b7db3f9a69f63fd8d8cf8b7 [0,2,0,0,0,0|1,0,1]=4 3396 B9R0.5 O=C(CCO)NCCCCl abeaa24b07e6d3bdfe3ff6d05860a8be [0,2,0,0,0,0|2,0,0]=4 3397 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [0,2,0,0,0,0|2,0,0]=4 3398 B9R0.5 OCCNC[C@@H](O)CCO 52ed8bacd6c8f287210acb4d2e184224 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.5 OCC[C@H](O)CNCCF fe59d4d31b815578f464af09c60352c5 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.5 OCC[C@H](O)CNCCI 74f35ce9d3a36f35aba28ce84e829998 [0,2,0,0,0,0|2,0,0]=4 3401 B9R0.5 OCC[C@H](O)CNCCS 081aee50c06db3a15226b575ef63e8fb [0,2,0,0,0,0|1,1,0]=4 3402 B9R0.5 OCC[C@H](O)COCCF 1e31821cd8d4f9df9025fdd5a971f09f [0,2,0,0,0,0|1,0,0]=3 3403 B9R0.5 OCC[C@H](O)COCCS db1e32e6d9ce32dfe98980d2f7add87f [0,2,0,0,0,0|0,1,0]=3 3404 B9R0.8 C#CCOC(C)C(C)CC 15e5e8267d36b3bba6549cac9e237de3 [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.8 C=CCOC(C)C(C)CC 497cc3ca82ab66597318538d46ffa3eb [0,2,0,0,0,0|1,0,1]=4 3406 B9R0.8 CC(CO)N(C)CCCF 85fcfe489af76d33ba89ceb140f6b518 [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.8 CC(CO)N(C)CCCO 049b531a4e268698c67af38a9aa1a0d4 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.8 CC(CO)N(C)CCCS 07c9496c6d37dfec98a160fad22e1b3d [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.8 CCC(=O)C(C)NCCO a6ca7b75b4dcee243dcdf60254103368 [0,2,0,0,0,0|1,0,1]=4 3410 B9R0.8 CCC(=O)C(C)OCCF a2a3e7db9ccfd3c538c971c8b56be4b0 [0,2,0,0,0,0|1,0,1]=4 3411 B9R0.8 CCC(=O)C(C)OCCS 972e0b806873bc366e31ae5f8572a7b3 [0,2,0,0,0,0|0,1,1]=4 3412 B9R0.8 CCC(C)C(C)NCCF 0f9e8c74c8cfc39f87064ba316e45936 [0,2,0,0,0,0|2,0,0]=4 3413 B9R0.8 CCC(C)C(C)NCCO 63afbed8378823ce1ce1a2f8298db261 [0,2,0,0,0,0|1,0,0]=3 3414 B9R0.8 CCC(C)C(C)NCCS 915cad6dc79539b419723fd613e7a9df [0,2,0,0,0,0|1,1,0]=4 3415 B9R0.8 CCC(C)C(C)OCC#N df010b4c98c646707a8da127e0bc4caa [0,2,0,0,0,0|1,0,1]=4 3416 B9R0.8 CCC(C)C(C)OCC=O 3a318650f80c7b6ed32ae99d31926896 [0,2,0,0,0,0|0,0,2]=4 3417 B9R0.8 CCC(C)C(C)OCCF 0613842536159de60d155e0c759998ef [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.8 CCC(C)C(C)OCCS 94e140660208c3ce11b207f40e316862 [0,2,0,0,0,0|0,1,0]=3 3419 B9R0.8 CCC(C)C(C)OCOC d257bddf7d8a7eb92413f6c30b9c0ecb [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.8 CCC(C)C(C)OCSC 4983ba8cb9434267846baeff7be3260c [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.8 CCC(C)N(C)CCCO cbfe05a59ee9861652769aaddaa93a90 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.8 CCC(O)C(=O)NCCO 745a9d17724d87b794549d966c0a7f8e [0,2,0,0,0,0|1,0,1]=4 3423 B9R0.8 CCCCN(C)C(=O)CO 4ba88839945a674ab9ac3fbe8c51fb1c [0,2,0,0,0,0|1,0,1]=4 3424 B9R0.8 CCCCN(C)C(C)CC 7edf48d51e7ff08c69f9d7dabcab397e [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.8 CCCCN(C)C(C)CO 417aea2e1537afeeba71d2e12b939e10 [0,2,0,0,0,0|1,0,0]=3 3426 B9R0.8 CCCCN(C)[C@@H](C)CO 96976846dbcc48ac668cf7f8a5078189 [0,2,0,0,0,0|1,0,0]=3 3427 B9R0.8 CCCCN(C)[C@H](C)CO 5fd35051443091dbfacc153c9aa4f641 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.8 CCCNC(=O)C(O)CO d7c655595f96eab9d65b9b07299f3143 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.8 CCCNC(=O)[C@@H](O)CO cddf6fa28ced77253bf372319fed5d9e [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.8 CCCNC(C)C(C)CC 55c79ef9f77d3a853d933ab87041d510 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|1,0,1]=4 3432 B9R0.8 CCCOC(C)C(C)CC f8ca382f1598cf55a54f01cf42b32244 [0,2,0,0,0,0|1,0,0]=3 3433 B9R0.8 CCCOC(C)C(C)OC fd3176827a21545dd285f6fc06157a6f [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.8 CCN(C)C(C)CCCO 2cadbeb9804ab5472a2861ad4076a8bc [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.8 CC[C@@H](O)C(=O)NCCO dae4c65b6f291f588a814c097e9a1d63 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.8 CC[C@H](O)C(=O)NCCO 686aa24f9002e236f6b398d59657d88e [0,2,0,0,0,0|1,0,1]=4 3437 B9R0.8 CC[C@H](S)C(=O)NCCO ef37894623a18aeddfeb9fa640ef45ba [0,2,0,0,0,0|1,0,1]=4 3438 B9R0.8 COC(C)C(C)OCCF af2f369d13272b23b06d462a46a06add [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.8 COC(C)C(C)OCCS 2888f8ad90f9d298c3e0e89b226594b7 [0,2,0,0,0,0|1,1,0]=4 3440 B9R0.8 COCCN(C)C(C)CO 2ec578b1840a73965a48fdfc18bb12b2 [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.8 COCCN(C)[C@@H](C)CO 5ea9d1edb01a4237d96f4cd8ac02481c [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.8 COCCN(C)[C@H](C)CO 8ebd31ecfe1729f92d1a6cc9ea38f220 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.8 CSCCN(C)C(C)CO 3cf7d6522fb4ca449b886b60ac5227d8 [0,2,0,0,0,0|2,0,0]=4 3444 B9R0.8 CSCCN(C)[C@@H](C)CO 6f1234bd8699093fc93d1d07185ef9ff [0,2,0,0,0,0|2,0,0]=4 3445 B9R0.8 CSCCN(C)[C@H](C)CO 8c7bf5906b495db4a2daa0ec067ed508 [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.8 C[C@@H](CO)N(C)CCCF 248291ac2c72ff0e05ebb6f6dfc51476 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.8 C[C@@H](CO)N(C)CCCO 306ff51e493981914e3491a9dca207b2 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.8 C[C@@H](CO)N(C)CCCS d28af1e2640162629fa5508d764a9c70 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.8 C[C@H](CO)N(C)CCCF 7a2351d13daf9e5ff9df06a918deb29d [0,2,0,0,0,0|2,0,0]=4 3450 B9R0.8 C[C@H](CO)N(C)CCCO df57e980eb27ff6c3e9fbada69e1cf89 [0,2,0,0,0,0|2,0,0]=4 3451 B9R0.8 C[C@H](CO)N(C)CCCS f5acc524bc3ce62b70d2eae2013a1ea8 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.18 C#CCCN(C)CCCC 70842e8d5993167f7b885e629bf5c1a8 [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.18 C#CCOC(C)CCCC a6bf8a2fbde7f7937d084a3ce3f21abb [0,2,0,0,0,0|1,0,1]=4 3454 B9R0.18 C#CCOC(C)CCOC 16ad52583dd911ca3e075391f92ad1c1 [0,2,0,0,0,0|1,0,1]=4 3455 B9R0.18 C#CCOC(C)CCSC cb7acaaf119a49f1ba868faafe59db9d [0,2,0,0,0,0|1,0,1]=4 3456 B9R0.18 C#CCOC(C)COCC 6f7e698b5bba57b9c9b306c37cf05710 [0,2,0,0,0,0|1,0,1]=4 3457 B9R0.18 C#CCO[C@@H](C)CCCC d36d8187ba9fe99db945c7ac19c589a4 [0,2,0,0,0,0|1,0,1]=4 3458 B9R0.18 C#CCO[C@H](C)CCCC 4f5dddefc5ccbd74a979c1cd0f8b39d1 [0,2,0,0,0,0|1,0,1]=4 3459 B9R0.18 C=CCCC(C)NCCO 1068fbbc6f266a16412f558507a0445a [0,2,0,0,0,0|1,0,1]=4 3460 B9R0.18 C=CCCC(C)OCCC 7912a5c88e116a41f225a0605d7ee9b9 [0,2,0,0,0,0|1,0,1]=4 3461 B9R0.18 C=CCCC(C)OCCF d40762fdc5fe3a946ea5c475b0560edc [0,2,0,0,0,0|1,0,1]=4 3462 B9R0.18 C=CCCC(C)OCCS 53c5b6de0e84db80c1ff436e93f06ef9 [0,2,0,0,0,0|0,1,1]=4 3463 B9R0.18 C=CCCN(C)CCCC 982bda51df0f37fb4c6a42577f4401e6 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.18 C=CCC[C@@H](C)OCCC 99173135eb582288011948d677068cc8 [0,2,0,0,0,0|1,0,1]=4 3465 B9R0.18 C=CCC[C@@H](C)OCCF 560eb4b3ba4d4d9219b20aff2deec573 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.18 C=CCC[C@@H](C)OCCS 279829f970a885c455a83c8e56bedc9f [0,2,0,0,0,0|0,1,1]=4 3467 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [0,2,0,0,0,0|1,0,1]=4 3468 B9R0.18 C=CCOC(C)CCOC f3c795786c7022d726115bd3f9ed9fd7 [0,2,0,0,0,0|1,0,1]=4 3469 B9R0.18 C=CCOC(C)CCSC c718e5cdece70b71b1fcdd31f660a068 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.18 C=CCOC(C)COCC 764c32529709baf48be8cb2233a09513 [0,2,0,0,0,0|1,0,1]=4 3471 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [0,2,0,0,0,0|1,0,1]=4 3472 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [0,2,0,0,0,0|1,0,1]=4 3473 B9R0.18 CC(CCC#N)NCCO ad5f2e05f2095d3c6cc687fdc1985f4a [0,2,0,0,0,0|1,0,1]=4 3474 B9R0.18 CC(CCC#N)OCCS 297bc6ee632e7d83671e66964d3a5d09 [0,2,0,0,0,0|0,1,1]=4 3475 B9R0.18 CC(CCCO)NCCBr 1ae250cd4c30a4a2e1a0855376d5700c [0,2,0,0,0,0|2,0,0]=4 3476 B9R0.18 CC(CCCO)NCCF c7f84bce70720633b332cf7648a145f3 [0,2,0,0,0,0|2,0,0]=4 3477 B9R0.18 CC(CCCO)NCCI 582d78b1976a1675a8e0025618b9b8a8 [0,2,0,0,0,0|2,0,0]=4 3478 B9R0.18 CC(CCCO)NCCO 221f8682faf75542ab4184288190c1bf [0,2,0,0,0,0|1,0,0]=3 3479 B9R0.18 CC(CCCO)NCCS 7689a433bbec484b0dd6b4a2004a6457 [0,2,0,0,0,0|1,1,0]=4 3480 B9R0.18 CCC#CC(C)OCCC c65da1261d7821d86f335a5db670d722 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.18 CCC#CC(C)OCCF 3ebcf0772a52fd7a798922406c91bc53 [0,2,0,0,0,0|1,0,1]=4 3482 B9R0.18 CCC#CC(C)OCCS 0df780abd53531575c118bfb8e82952d [0,2,0,0,0,0|0,1,1]=4 3483 B9R0.18 CCCCC(=O)NCCBr 8af219e0e77c4fc0ca9d539df0908bd7 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.18 CCCCC(=O)NCCC b85686110cd08860fec3169645c4d3bc [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.18 CCCCC(=O)NCCF b275f982f0ad827f00e9f57eb71a2f59 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.18 CCCCC(=O)NCCI 9863fe9ac927a6229bfaad02f965a727 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.18 CCCCC(=O)NCCO 7ece651dd2827f5e83d2c51f7847968d [0,2,0,0,0,0|1,0,0]=3 3488 B9R0.18 CCCCC(=O)NCCS 7815db24b5b4c021be3fed7542d4cbf1 [0,2,0,0,0,0|1,1,0]=4 3489 B9R0.18 CCCCC(C)COCC 58365c9c9e662717f1bbd5e7f384f400 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.18 CCCCC(C)COCF 09ffbdc6b473e3828f87d6ed9dd457d6 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.18 CCCCC(C)NCCBr 9fba29ec3a5cf6539561bd90121ef824 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.18 CCCCC(C)NCCC 2d290a5f42eca09ba83265f4a79377f0 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.18 CCCCC(C)NCCF 1c4f1f21c3559bf066a315a24bd566a8 [0,2,0,0,0,0|2,0,0]=4 3494 B9R0.18 CCCCC(C)NCCI 19ab92f263f6cb9513f4b684d182bbcb [0,2,0,0,0,0|2,0,0]=4 3495 B9R0.18 CCCCC(C)NCCO ff47d9e2568b188c4923b45bf7987a40 [0,2,0,0,0,0|1,0,0]=3 3496 B9R0.18 CCCCC(C)NCCS 5311705e3cab165ea51d61f6a43c54bb [0,2,0,0,0,0|1,1,0]=4 3497 B9R0.18 CCCCC(C)NCOC 72ee118d96c93b5e2ac974d6392482cd [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.18 CCCCC(C)OCC#N a49c2f2b2ea1e149d9135336e3cfab81 [0,2,0,0,0,0|1,0,1]=4 3499 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [0,2,0,0,0,0|0,0,2]=4 3500 B9R0.18 CCCCC(C)OCCC 03a9a54da7ce8074115dc5963e2487d3 [0,2,0,0,0,0|1,0,0]=3 3501 B9R0.18 CCCCC(C)OCCF 3f799a7d24890a960e30edb9bb965fe5 [0,2,0,0,0,0|1,0,0]=3 3502 B9R0.18 CCCCC(C)OCCS 498240fa81efc48a364f781ba80a2136 [0,2,0,0,0,0|0,1,0]=3 3503 B9R0.18 CCCCC(C)OCOC 2647a8351841aefd7767410eec944f14 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.18 CCCCC(C)OCSC 675cf4242578276faef054101752fff5 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.18 CCCCC(O)CNCC 2232c12a60a38891a3dd994b7dd4662d [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.18 CCCCC(O)CNCF 102643d672948c4c1a639cc48b3bd63d [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.18 CCCCC(O)CNCO 2dafc47aa294ecb110a3a11ecf631ac8 [0,2,0,0,0,0|1,0,0]=3 3508 B9R0.18 CCCCN(C)C/C=C\O b670acc8005386db650855df49e5a609 [0,2,0,0,0,0|1,0,1]=4 3509 B9R0.18 CCCCN(C)CCC#N 69da986dc70b9ce5c7bbacc0239e101e [0,2,0,0,0,0|2,0,0]=4 3510 B9R0.18 CCCCN(C)CCC=O bf49116c9af507ce2cb2ede0349f47b2 [0,2,0,0,0,0|1,0,1]=4 3511 B9R0.18 CCCCN(C)CCCC 01d114e8ba11630440d2533ff68d32a7 [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.18 CCCCN(C)CCCF 4be92356a0c3c7eadb0de19002552eba [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.18 CCCCN(C)CCCO 57af9b9f3fe16b52eec79be093a09ab2 [0,2,0,0,0,0|1,0,0]=3 3514 B9R0.18 CCCCN(C)CCCS db78b2343bf1e747b24c591394ccae9c [0,2,0,0,0,0|1,1,0]=4 3515 B9R0.18 CCCCN(C)CCOC cb1c43014bdebf644141900952049354 [0,2,0,0,0,0|1,0,0]=3 3516 B9R0.18 CCCCN(C)CCON e842ff12b7339ff463865dee53244716 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.18 CCCCN(C)CCSC 8e85c27a7aed72c035e30d1c5ed54c02 [0,2,0,0,0,0|1,1,0]=4 3518 B9R0.18 CCCCN(C)COCC d499f711adfc90243a4d04f7325fe0b5 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.18 CCCC[C@@H](C)NCCC 681a66d3f2656eddcb965975aeb1cfd0 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.18 CCCC[C@@H](C)NCCF 0e8602f3df83b4aa0e8e8f747cf182b2 [0,2,0,0,0,0|2,0,0]=4 3521 B9R0.18 CCCC[C@@H](C)NCCO 91f3234cc374ccfce736aaecc9b5736e [0,2,0,0,0,0|1,0,0]=3 3522 B9R0.18 CCCC[C@@H](C)NCCS 8b9dbc6c5ee5f29cbf78c5244c74622e [0,2,0,0,0,0|1,1,0]=4 3523 B9R0.18 CCCC[C@@H](C)NCOC f66d1627858146f3e552909b38c15c1f [0,2,0,0,0,0|2,0,0]=4 3524 B9R0.18 CCCC[C@@H](C)OCC#N 3768ccd6166470de9b4699e30d70c1fa [0,2,0,0,0,0|1,0,1]=4 3525 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [0,2,0,0,0,0|0,0,2]=4 3526 B9R0.18 CCCC[C@@H](C)OCCC 3919e2b8d370ec3c53a10b41264f7777 [0,2,0,0,0,0|1,0,0]=3 3527 B9R0.18 CCCC[C@@H](C)OCCF 9e6e7d202edc7f99d8130b72feff99d7 [0,2,0,0,0,0|1,0,0]=3 3528 B9R0.18 CCCC[C@@H](C)OCCS da0dc6ff36920e5da60fbd4660080dd8 [0,2,0,0,0,0|0,1,0]=3 3529 B9R0.18 CCCC[C@@H](C)OCSC 5f93169fe26264ec85ba889f3f1492c7 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82f469a10283b42403f3387d52c2f75c [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.18 CCOCC(O)CNCO 247414ae25635c2cb55b265213a4c609 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.18 CCOCN(C)CCCO 7069cd91fb961f99c8bb4bcb8bd089e3 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.18 CCOCN(C)CCOC b2b3901aa701b3e956cf34dfede6b89e [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.18 CCOCN(C)CCON c816861fb7e20b9eafe08d2b50e934fd [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.18 CCOC[C@@H](C)OCOC a36d29df078d7a145de27c4e27cb1f90 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.18 CCSCC(=O)NCCO 36045fca78fe19f762e8c359711722ec [0,2,0,0,0,0|1,0,1]=4 3560 B9R0.18 CN(CCCF)CCON 733fa35dfb87e3480b0f3d9a7e6562e4 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.18 CN(CCCO)CCCF 03d789a2e8aa6e5bce47c69ab2a7e264 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.18 CN(CCCO)CCCO 1856ec0bcbecbe35768dca680cca3963 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.18 CN(CCCO)CCCS 7f2452cded2a2efaaf26cc67b9bbfe7b [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.18 CN(CCCO)CCON 70e54ead48d7174199672c669cf6a219 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.18 CN(CCCS)CCON 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CCC[C@H](C)OC(C)C#N 0000c124401e0561c6775129e6726d12 [0,2,0,0,0,0|1,0,1]=4 3671 B9R0.34 CCC[C@H](C)OC(C)C=O 4077e235063d1423f053353f1b4acd6b [0,2,0,0,0,0|0,0,2]=4 3672 B9R0.34 CCC[C@H](C)OC(C)CC ad328d20057bedeb41907757091212bf [0,2,0,0,0,0|1,0,0]=3 3673 B9R0.34 CCC[C@H](C)OC(F)C#N 101e7283198ed0dca115fb6fb62375d7 [0,2,0,0,0,0|1,0,1]=4 3674 B9R0.34 CCC[C@H](C)O[C@H](C)C=O 24eb961676ef2f8d752e620686c5118c [0,2,0,0,0,0|0,0,2]=4 3675 B9R0.34 CC[C@@H](C)CN(C)CCF 1f556aba560c8abfcf7fc4ed431aeef6 [0,2,0,0,0,0|2,0,0]=4 3676 B9R0.34 CC[C@@H](C)CN(C)CCO 72c0ef13ecc3940cde1b3056b77537f7 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.34 CC[C@@H](C)NC(=O)CCO 3ac150908206e0e8666e48c83803ccb1 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.34 CC[C@@H](C)NC(C)CCO 735255250acf870de3065ec43d87d304 [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.34 CC[C@@H](C)OC(C)COC b23ac95f3958d0b2eba0b9931d54db28 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.34 CC[C@H](C)CN(C)CCF 7910a56ceada62549de460800b2a9616 [0,2,0,0,0,0|2,0,0]=4 3681 B9R0.34 CC[C@H](C)CN(C)CCO 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f98ad022ac27a77d7cba3f86d93befa1 [0,2,0,0,0,0|2,0,0]=4 3728 B9R0.40 C#CCOC(C#C)CCC 96a5004c59628c586babaecd5d97f3eb [0,2,0,0,0,0|1,0,1]=4 3729 B9R0.40 C#CCOC(C#N)CCC 9f8008ef66136ea179705ac2c7c15a1c [0,2,0,0,0,0|1,0,1]=4 3730 B9R0.40 C#CCOC(C=C)CCC d66d0e20a57bfdb632e046d24d8d392f [0,2,0,0,0,0|1,0,1]=4 3731 B9R0.40 C#CCOC(CC)CCC 151b509268f97c9d6ac932280301e302 [0,2,0,0,0,0|1,0,1]=4 3732 B9R0.40 C#CCO[C@H](CC)CCC 77f61d8aefb2801776d38f8250696a9b [0,2,0,0,0,0|1,0,1]=4 3733 B9R0.40 C=CC(CCC)OCC#N a9e3b1afd831b8f81095d47646dc3307 [0,2,0,0,0,0|1,0,1]=4 3734 B9R0.40 C=CC(CCC)OCC=O 97a093dd8f7a06e93218b6194193d862 [0,2,0,0,0,0|0,0,2]=4 3735 B9R0.40 C=CC(CCC)OCCC c8cc8ff99b986a7fae9322886f38af88 [0,2,0,0,0,0|1,0,0]=3 3736 B9R0.40 C=CC(CCC)OCCF b0727ee9f4e7c7f0fa5042d85ed28cee [0,2,0,0,0,0|1,0,0]=3 3737 B9R0.40 C=CC(CCC)OCCS 1d32182dc19e5e8d4c689ebddbc07f59 [0,2,0,0,0,0|0,1,0]=3 3738 B9R0.40 C=CC(CCC)OCOC 95490b9e1292c66578fca8956db7eec0 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.40 C=CC(CCC)OCSC 27d679cb3a7f8ba26e0585395f452b2d [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.40 C=CCOC(C#N)CCC 2afc692a6a255dfa231df03a1f306975 [0,2,0,0,0,0|1,0,1]=4 3741 B9R0.40 C=CCOC(C=C)CCC 6f292f25a3b15e49a3aa13f9ece40e35 [0,2,0,0,0,0|1,0,1]=4 3742 B9R0.40 C=CCOC(CC)CCC 35f0a04ab87e49bd2bcd6ae2c3b1ec56 [0,2,0,0,0,0|1,0,1]=4 3743 B9R0.40 C=CCO[C@H](CC)CCC 909f94d03c44d262a2f498f7d1d72eed [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.40 CCC(COC)NCCO a813bb77b87e07b2653a766fea706fde [0,2,0,0,0,0|2,0,0]=4 3745 B9R0.40 CCC(COC)OCCF d2b6cc1c504406cbf2a16027ad6ea9ac [0,2,0,0,0,0|2,0,0]=4 3746 B9R0.40 CCC(COC)OCCS f704f6fbb8778c4184d2f2e16b216f2f [0,2,0,0,0,0|1,1,0]=4 3747 B9R0.40 CCC(CSC)OCCF 9165f9455526abddf544f8c30d2650f8 [0,2,0,0,0,0|2,0,0]=4 3748 B9R0.40 CCC(CSC)OCCS 2635f7f83368bfef185ac3cbae0fa52f [0,2,0,0,0,0|1,1,0]=4 3749 B9R0.40 CCCC(C#N)OCC#N 0fa532892428f91e1e7bf783d92ae985 [0,2,0,0,0,0|1,0,1]=4 3750 B9R0.40 CCCC(C#N)OCC=O 01ddc2376337bf1f8b22ba13eaeeec3e [0,2,0,0,0,0|0,0,2]=4 3751 B9R0.40 CCCC(C#N)OCCF c9796cdade1198ef7f928866680394c7 [0,2,0,0,0,0|1,0,0]=3 3752 B9R0.40 CCCC(C#N)OCCS 19fc5fe8ff26b34ab34fdab3c4a9b3b6 [0,2,0,0,0,0|0,1,0]=3 3753 B9R0.40 CCCC(C#N)OCOC e88d85bb274eb5fe6c0a211111e52352 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.40 CCCC(C#N)OCSC c343286245926aeef0d3ba875de8983b [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.40 CCCC(CC)NCCBr 1750a63546cd64598b6f347c12ce73ac [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.40 CCCC(CC)NCCF bb4578fa6c5522a096038bfe75a7674b [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.40 CCCC(CC)NCCI 471b5fe6290747c17393014007a606d3 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.40 CCCC(CC)NCCO 3f48a5a5f0b34047f11d245a806782e0 [0,2,0,0,0,0|1,0,0]=3 3759 B9R0.40 CCCC(CC)NCCS 1a2488774e8d00576911d76c403f4d15 [0,2,0,0,0,0|1,1,0]=4 3760 B9R0.40 CCCC(CC)OCC#N 8c7c94ae7f1771f03e8e6313519e4b1c [0,2,0,0,0,0|1,0,1]=4 3761 B9R0.40 CCCC(CC)OCC=O b1477f7e8ef32b3e56f6ae9fc57610d7 [0,2,0,0,0,0|0,0,2]=4 3762 B9R0.40 CCCC(CC)OCCF 629bfb37b8d6b1462408359d47565b85 [0,2,0,0,0,0|1,0,0]=3 3763 B9R0.40 CCCC(CC)OCCS 4179477ce8a354404f47731385b998fe [0,2,0,0,0,0|0,1,0]=3 3764 B9R0.40 CCCC(CC)OCOC e50b7c1401bf3b19627875c2bd49fca6 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.40 CCCC(CC)OCSC 428385daf8608dda09eb0eda591ab582 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.40 CCCC(CO)NCCF 839381c1a4c265b6e792c21a670f893e [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.40 CCCC(CO)NCCO f713c50ab8748d3a53933197c7bc4506 [0,2,0,0,0,0|1,0,0]=3 3768 B9R0.40 CCCC(CO)NCCS 1c0d6fd844e944a5e79b26c2b38a4461 [0,2,0,0,0,0|1,1,0]=4 3769 B9R0.40 CCCCC(CO)NCO 229a0a7a2a802a044cca92e4cc8777c7 [0,2,0,0,0,0|2,0,0]=4 3770 B9R0.40 CCCCN(C=O)CCC be8b9ffc5e8551c44e5ab58b1828a0f7 [0,2,0,0,0,0|2,0,0]=4 3771 B9R0.40 CCCCN(C=O)CCO 17787dd5e4fe64ab300ff2422659355e [0,2,0,0,0,0|1,0,0]=3 3772 B9R0.40 CCCCN(C=O)CCS a20b475fa5d1ceea20c555b8a71771e2 [0,2,0,0,0,0|1,1,0]=4 3773 B9R0.40 CCCCN(CC)CCC bbfe6bddeb2b2437e55039b1b4ca5bd6 [0,2,0,0,0,0|2,0,0]=4 3774 B9R0.40 CCCCN(CC)CCCl bf7d9fac866bca6bf7e09e4f62d1a004 [0,2,0,0,0,0|2,0,0]=4 3775 B9R0.40 CCCCN(CC)CCF 17c2c574722937339478c00d30199052 [0,2,0,0,0,0|2,0,0]=4 3776 B9R0.40 CCCCN(CC)CCO b77ed274cc7cb6a7deb030e4df630fcc [0,2,0,0,0,0|1,0,0]=3 3777 B9R0.40 CCCCN(CC)CCS bbd1fe2d9982191ab97b5b0112cd5274 [0,2,0,0,0,0|1,1,0]=4 3778 B9R0.40 CCCCN(CF)CCC 373849784d2a1e93b8c0aa1574ed407e [0,2,0,0,0,0|2,0,0]=4 3779 B9R0.40 CCCCN(CF)CCO 6f6071fe43f98b42f41344513471b775 [0,2,0,0,0,0|1,0,0]=3 3780 B9R0.40 CCCCN(CF)CCS 8dee5dfc455b9b34bc55cc9c345f7af0 [0,2,0,0,0,0|1,1,0]=4 3781 B9R0.40 CCCCN(CO)CCC 003e52c5d2209aff5d18d1236a951483 [0,2,0,0,0,0|2,0,0]=4 3782 B9R0.40 CCCCN(CO)CCO ce9976606eaf7e4049d53d85781956a4 [0,2,0,0,0,0|1,0,0]=3 3783 B9R0.40 CCCCN(CO)CCS 57ee94239996cd8000fc78bd91fef195 [0,2,0,0,0,0|1,1,0]=4 3784 B9R0.40 CCCC[C@@H](CO)NCO bb343d0984f40245e3f35bccba475bac [0,2,0,0,0,0|2,0,0]=4 3785 B9R0.40 CCCC[C@H](CO)NCO 9ae511810226711cd09ac78fe1b5bec1 [0,2,0,0,0,0|2,0,0]=4 3786 B9R0.40 CCCN(C=O)CCCO 85b67d56bdd81bcfbc08ec2560cc228c [0,2,0,0,0,0|2,0,0]=4 3787 B9R0.40 CCCN(CC)CCCO c326ed8204cffaa3b7251cea8880b2f3 [0,2,0,0,0,0|2,0,0]=4 3788 B9R0.40 CCCN(CF)CCCO 92966a4260450751c90d1f6e8cc118e5 [0,2,0,0,0,0|2,0,0]=4 3789 B9R0.40 CCCN(CO)CCCO 5f103803fa86b5a1f39d6ce3a2310d84 [0,2,0,0,0,0|2,0,0]=4 3790 B9R0.40 CCCNC(CC)CCC 0ce2a51fd039fcaf9a76eb2b4964f8f6 [0,2,0,0,0,0|2,0,0]=4 3791 B9R0.40 CCCNC(CO)CCC 87c96c838b001ecf30a16e36ec001cf6 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.40 CCCNC(CO)CCO e48b8087112d0dbde807c3e80de577b5 [0,2,0,0,0,0|2,0,0]=4 3793 B9R0.40 CCCN[C@@H](CO)CCC df7cfbb3545d05a3ae7dd28845fbd35d [0,2,0,0,0,0|2,0,0]=4 3794 B9R0.40 CCCN[C@@H](CO)CCO d25c41960081028e6638790befa80bdf [0,2,0,0,0,0|2,0,0]=4 3795 B9R0.40 CCCN[C@H](CO)CCC 35715582497d28806315b4b8bae11329 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.40 CCCOC(C#N)CCC f4f963f957921180c3a56f42e44fba2b [0,2,0,0,0,0|1,0,0]=3 3797 B9R0.40 CCCOC(CBr)CCBr 379f46ea60f8269de3da49906c4249d8 [0,2,0,0,0,0|2,0,0]=4 3798 B9R0.40 CCCOC(CC)CCC 8238dc4250141f806af223944c1e9f3d [0,2,0,0,0,0|1,0,0]=3 3799 B9R0.40 CCCOC(CC)COC f1d33567396d0587ae337e3b1833bae8 [0,2,0,0,0,0|2,0,0]=4 3800 B9R0.40 CCCOC(CC)CSC 9b79ca4ee9e110a735e9b2fbce649c70 [0,2,0,0,0,0|2,0,0]=4 3801 B9R0.40 CCCOC(CCl)CCCl be49a59d47c7a089db84281a4e82cebb [0,2,0,0,0,0|2,0,0]=4 3802 B9R0.40 CCCO[C@@H](CO)CCO 271971862229ec111c96b74c13aa73b9 [0,2,0,0,0,0|2,0,0]=4 3803 B9R0.40 CCCO[C@H](CC)CCC 769c614be648c7265a5a510d19215798 [0,2,0,0,0,0|1,0,0]=3 3804 B9R0.40 CCC[C@@H](CC)OCC#N fdeb97cefcdffc74cba489245591bad2 [0,2,0,0,0,0|1,0,1]=4 3805 B9R0.40 CCC[C@@H](CC)OCC=O 8cc017731c32203b67c1e17324dc9226 [0,2,0,0,0,0|0,0,2]=4 3806 B9R0.40 CCC[C@@H](CC)OCCF b2c9fc3bbd78ee19f1c42571a0e99176 [0,2,0,0,0,0|1,0,0]=3 3807 B9R0.40 CCC[C@@H](CC)OCCS 8d61a99f62b98cf704a6f3f58d1b4646 [0,2,0,0,0,0|0,1,0]=3 3808 B9R0.40 CCC[C@@H](CC)OCOC 2839d8bb2c63c040a8c7ac5c350454ed [0,2,0,0,0,0|2,0,0]=4 3809 B9R0.40 CCC[C@@H](CC)OCSC 0a284b8b0ac04b276c55c85a0c002680 [0,2,0,0,0,0|2,0,0]=4 3810 B9R0.40 CCC[C@@H](CO)NCCF 34e8468e7ead0f444a11ded8db088926 [0,2,0,0,0,0|2,0,0]=4 3811 B9R0.40 CCC[C@@H](CO)NCCO dc6d34f2bc25ed0c6f3a3255855911d9 [0,2,0,0,0,0|1,0,0]=3 3812 B9R0.40 CCC[C@@H](CO)NCCS 2c446eb54906b36c2e2e14a1e2efb355 [0,2,0,0,0,0|1,1,0]=4 3813 B9R0.40 CCC[C@H](CO)NCCF eaaabe68e4e62e7e3bfd0095f0b96f56 [0,2,0,0,0,0|2,0,0]=4 3814 B9R0.40 CCC[C@H](CO)NCCO e5ab79830ce415a63432936150525b1d [0,2,0,0,0,0|1,0,0]=3 3815 B9R0.40 CCC[C@H](CO)NCCS 267d654dba941f84f24fa856c935f348 [0,2,0,0,0,0|1,1,0]=4 3816 B9R0.40 CCN(CCO)CCCF 32583de04d3ad6696171e7a01804bc38 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.40 CCN(CCO)CCCO b3f0606d2404df40dc77381383a64f13 [0,2,0,0,0,0|2,0,0]=4 3818 B9R0.40 CCN(CCO)CCCS e1ca6732a0f19974a914be75c3f6926a [0,2,0,0,0,0|2,0,0]=4 3819 B9R0.40 CCN(CCO)CCOC dd2fc77fc66b373060b861e031a86a37 [0,2,0,0,0,0|2,0,0]=4 3820 B9R0.40 CCN(CCO)CCSC 6f9de5598629530f6826f03f6bdfbc09 [0,2,0,0,0,0|2,0,0]=4 3821 B9R0.40 CCNC(CO)CCCO ca46aacb27c034365ce5c4c6253dbfd4 [0,2,0,0,0,0|2,0,0]=4 3822 B9R0.40 CCOCN(CC)CCO 74d59bed158a25e4769da0552257bc78 [0,2,0,0,0,0|2,0,0]=4 3823 B9R0.40 CCOCN(CO)CCO 1c49068b73e18516769ea6d6b7be8fbf [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.40 COCC(CO)NCCO 0bfebb7dcbf57d12c0cff9dde6d6ef6e [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.40 COCCN(CO)CCO cf93253316278d7646656d0e58566a59 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.40 CSCC(CO)NCCO d0f666c959238d1183ac496ff9047a46 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.40 CSCCN(CO)CCO b4946f3cb91d4612f64c7ee12079555d [0,2,0,0,0,0|2,0,0]=4 3828 B9R0.40 FCCOC(CBr)CCBr ffd76471d28e7704c352e9dec97b6763 [0,2,0,0,0,0|2,0,0]=4 3829 B9R0.40 FCCOC(CCl)CCCl 89c38f974bd4436978440ef01a115c4f [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.40 O=CN(CCO)CCCO 626dee79b46ba73891aab059598cfd8e [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.40 OCCCN(CF)CCO 7adebf230edcb367c5105925d55c15d6 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.40 OCCCN(CO)CCO fdc6f953a7286b91c01e2bb1429a926d [0,2,0,0,0,0|2,0,0]=4 3833 B9R0.40 OCCN(CO)CCCF c4461b1bc54f1d818d0f1555c4d8d803 [0,2,0,0,0,0|2,0,0]=4 3834 B9R0.40 OCCN(CO)CCCS 8f7d2b741bc7f4f2eb6aaa3a1e9bb902 [0,2,0,0,0,0|2,0,0]=4 3835 B9R0.40 OCCNC(CO)CCO f2c0b9bad0d4dd7572304be0a5a221f1 [0,2,0,0,0,0|2,0,0]=4 3836 B9R0.40 OCCN[C@@H](CO)CCO 74f4001f6fdf8f2a1aff2c579a481097 [0,2,0,0,0,0|2,0,0]=4 3837 B9R0.40 OCC[C@H](CO)OCCF 67b05951fb0a69c4b0000fee2b131cbe [0,2,0,0,0,0|2,0,0]=4 3838 B9R0.40 OCC[C@H](CO)OCCS 6b95ff05dc549b339fbdcb24c2a5ac14 [0,2,0,0,0,0|1,1,0]=4 3839 B9R0.40 SCCOC(CBr)CCBr 0553973930e5f4d1b7ee5a6c30f6267a [0,2,0,0,0,0|1,1,0]=4 3840 B9R0.40 SCCOC(CCl)CCCl 9484a319b67d8923f15d9bb53d02c8e6 [0,2,0,0,0,0|1,1,0]=4 3841 B9R0.48 C=C(Br)COC(C)CCC 9b42c71e18ddb5f1df0cfed1380fbc1d [0,2,0,0,0,0|1,0,1]=4 3842 B9R0.48 C=C(Br)CO[C@@H](C)CCC f5dbba56577b47c8139533bef64e6a47 [0,2,0,0,0,0|1,0,1]=4 3843 B9R0.48 C=C(Br)CO[C@H](C)CCC 31129fd17e5635d40c40e1dca48175e1 [0,2,0,0,0,0|1,0,1]=4 3844 B9R0.48 C=C(C)CCN(C)CCO bbe1d5f8baadd70f7eaab77fefeaca53 [0,2,0,0,0,0|1,0,1]=4 3845 B9R0.48 C=C(C)COC(C)CCC 8a712e3f999a984623a12b3e185e16f6 [0,2,0,0,0,0|1,0,1]=4 3846 B9R0.48 C=C(C)CO[C@@H](C)CCC e17237a765f8d2f7515c764ae18eed6b [0,2,0,0,0,0|1,0,1]=4 3847 B9R0.48 C=C(C)CO[C@H](C)CCC c07382948aa51118d6a02318fd89a90c [0,2,0,0,0,0|1,0,1]=4 3848 B9R0.48 C=C(Cl)COC(C)CCC 4469f239e88e997d5230d6906915a264 [0,2,0,0,0,0|1,0,1]=4 3849 B9R0.48 C=C(Cl)CO[C@@H](C)CCC 847077f2e15a78bac2a4d70b1ea7e8fa [0,2,0,0,0,0|1,0,1]=4 3850 B9R0.48 C=C(Cl)CO[C@H](C)CCC ff9eb95f7bb39ecffad9190ef32d24a9 [0,2,0,0,0,0|1,0,1]=4 3851 B9R0.48 C=C(I)COC(C)CCC 7041f181646a6f58588ec8a65571cde0 [0,2,0,0,0,0|1,0,1]=4 3852 B9R0.48 CC(=O)CCN(C)CCO 4a03b831e9c1e8d9f6e965d9f1dd4ebb [0,2,0,0,0,0|1,0,1]=4 3853 B9R0.48 CC(C)CCC(C)NCO 737e2c141298df53f0d454026d862641 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.48 CC(C)CCN(C)CCF 7aff48f765c5fb868e5dec98540267d4 [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.48 CC(C)CCN(C)CCO 750487784accfe76b036aed3cc288c06 [0,2,0,0,0,0|1,0,0]=3 3856 B9R0.48 CC(C)CCN(C)CCS 37cf0fc5ada71edf7ec5195ccf133b7b [0,2,0,0,0,0|1,1,0]=4 3857 B9R0.48 CC(C)CNC(=O)CCO 08f3d4ee1660e29d5ac3dec2e1de53b3 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.48 CC(C)CNC(C)CCO a4c9e6e0c1c50059623494a7ead9e12e [0,2,0,0,0,0|2,0,0]=4 3859 B9R0.48 CC(C)CN[C@@H](C)CCO f69406c29023ea67bcf290675784fff4 [0,2,0,0,0,0|2,0,0]=4 3860 B9R0.48 CC(C)CN[C@H](C)CCO 0882c63fe93f685a6a603511d1ad70bd [0,2,0,0,0,0|2,0,0]=4 3861 B9R0.48 CC(C)OCN(C)CCO cb1211cac181c203916fcbbfc01b6a09 [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.48 CC(C)OC[C@@H](O)CCO fb08dbae88d047dfb6989f17cb2456c1 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.48 CC(CCO)CNC(C)C e2fdd8348783463b4eb1da2bf1ae850d [0,2,0,0,0,0|2,0,0]=4 3864 B9R0.48 CC(CCO)NC[C@@H](C)O 943d8e859e75a5b249fd0890eb559e5b [0,2,0,0,0,0|2,0,0]=4 3865 B9R0.48 CC(CCO)NC[C@H](C)O ff390b018e21ae0e97b968f08b734b5d [0,2,0,0,0,0|2,0,0]=4 3866 B9R0.48 CC(O)CCN(C)CCF 32104d994f0d303550cfc942aa43bd46 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.48 CC(O)CCN(C)CCO ea5d9fb80fa9baa51a6630682b41d279 [0,2,0,0,0,0|1,0,0]=3 3868 B9R0.48 CC(O)CCN(C)CCS 24043797a35cac1d91ef1675e61da590 [0,2,0,0,0,0|1,1,0]=4 3869 B9R0.48 CC(O)CNC(=O)CCO b1635c07c3f511f2b77001a38f892231 [0,2,0,0,0,0|2,0,0]=4 3870 B9R0.48 CC(O)CNC(C)CCO 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B9R0.48 CCCC(C)NCC(F)F 4cbfb53f7f948847bf124d613f35d578 [0,2,0,0,0,0|2,0,0]=4 3883 B9R0.48 CCCC(C)NC[C@@H](C)O dd3e1e5a99d06357b215baaa3e655fbd [0,2,0,0,0,0|1,0,0]=3 3884 B9R0.48 CCCC(C)NC[C@H](C)O 9331ecd30e898992036bbad5faca0440 [0,2,0,0,0,0|1,0,0]=3 3885 B9R0.48 CCCC(C)OCC(=O)C 1cb96080ad3b5f1e9dd4a42dcc86b0a0 [0,2,0,0,0,0|0,0,2]=4 3886 B9R0.48 CCCC(C)OCC(=O)N 7e6999709f4494a1ecc876c304501582 [0,2,0,0,0,0|0,0,2]=4 3887 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,2,0,0,0,0|0,0,1]=3 3888 B9R0.48 CCCC(C)OCC(=S)N 53e4836c2da53eec93819a42a5b417e0 [0,2,0,0,0,0|0,1,1]=4 3889 B9R0.48 CCCC(C)OCC(C)C 5be224d9722cec7f07e97282baf3a2b2 [0,2,0,0,0,0|1,0,0]=3 3890 B9R0.48 CCCC(C)OCC(C)F b3a225377e32d1b250f9262699c6f119 [0,2,0,0,0,0|1,0,0]=3 3891 B9R0.48 CCCC(C)OCC(C)S d3034c5e31db5713dbe6f459423f94d7 [0,2,0,0,0,0|0,1,0]=3 3892 B9R0.48 CCCC(C)OCC(F)F 0110b702ec29386fe049843cd539bbeb [0,2,0,0,0,0|1,0,0]=3 3893 B9R0.48 CCCC(C)OCN(C)C 23396ff1ddbf942ed77c3695a4bc97fc [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.48 CCCC(C)OCS(=O)O 5fd3c2b57cde05de71deaa29073d7460 [0,2,0,0,0,0|1,0,0]=3 3895 B9R0.48 CCCC(C)OC[C@@H](C)F 9bd1fd92723fed4710945b5373a22940 [0,2,0,0,0,0|1,0,0]=3 3896 B9R0.48 CCCC(C)OC[C@H](C)F d026e085ff493f00380d10ee8bd7fa5f [0,2,0,0,0,0|1,0,0]=3 3897 B9R0.48 CCCC(C)OC[N+](=O)[O-] 46ae41b33890caee55b9c81d88ba1802 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.48 CCCN(C)CCC(C)C 26a8b47e2812a3bdeefc657f75633267 [0,2,0,0,0,0|2,0,0]=4 3899 B9R0.48 CCCN(C)CCC(C)O d548c004046fcb4cac04a11fffe2a92b [0,2,0,0,0,0|2,0,0]=4 3900 B9R0.48 CCC[C@@H](C)OCC(=O)N c33601ccdbc26af4c94de37ccd60dbb7 [0,2,0,0,0,0|0,0,2]=4 3901 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,2,0,0,0,0|0,0,1]=3 3902 B9R0.48 CCC[C@@H](C)OCC(C)C ebec32e182b28eaf84b2474f2392075c [0,2,0,0,0,0|1,0,0]=3 3903 B9R0.48 CCC[C@@H](C)OCC(F)F 7a26b94d193a3314111fdb8aab20a3f3 [0,2,0,0,0,0|1,0,0]=3 3904 B9R0.48 CCC[C@@H](C)OCN(C)C a0eefd7db826843f7801fef1f228f163 [0,2,0,0,0,0|2,0,0]=4 3905 B9R0.48 CCC[C@@H](C)OC[N+](=O)[O-] 037447bd914f940e773e9ae4eec2b2c8 [0,2,0,0,0,0|1,0,1]=4 3906 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,2,0,0,0,0|1,0,1]=4 3907 B9R0.48 CCC[C@H](C)NCC(C)C b8b299d83fd0f93134fe590e4a562be9 [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.48 CCC[C@H](C)NCC(C)O 564c6afcec40669a3c18d484e9d625f8 [0,2,0,0,0,0|1,0,0]=3 3909 B9R0.48 CCC[C@H](C)NCC(F)F c7631eb04496535d22ffc20d34ec65fd [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.48 CCC[C@H](C)NC[C@@H](C)O f8f56b630d6b9084881f1dc1c9f6ac45 [0,2,0,0,0,0|1,0,0]=3 3911 B9R0.48 CCC[C@H](C)NC[C@H](C)O a434bea59043bb2c05076edff7a7581d [0,2,0,0,0,0|1,0,0]=3 3912 B9R0.48 CCC[C@H](C)OCC(=O)N 838feb7f628304bf0a6aa0910dbfc330 [0,2,0,0,0,0|0,0,2]=4 3913 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,2,0,0,0,0|0,0,1]=3 3914 B9R0.48 CCC[C@H](C)OCC(C)C 2682183614895a777d22e8d5943637b5 [0,2,0,0,0,0|1,0,0]=3 3915 B9R0.48 CCC[C@H](C)OCC(F)F 9a52580394872bfd892cff5c07f61a18 [0,2,0,0,0,0|1,0,0]=3 3916 B9R0.48 CCC[C@H](C)OCN(C)C 33b94e7259cad056584de2305a4601a1 [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.48 CCC[C@H](C)OC[N+](=O)[O-] c885816113158913d765d3fd15d0fea0 [0,2,0,0,0,0|1,0,1]=4 3918 B9R0.48 CN(C)CCN(C)CCO 7290bcd666b00f3454e3671d8a87e576 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.48 CN(CCO)CCC(F)F dbd31a269dc4b26a03b473d592e2293f [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.48 CN(CCO)CCS(=O)C 84ac630d521aead9eaa6a8465705074c [0,2,0,0,0,0|2,0,0]=4 3921 B9R0.48 COCC(C)NCC(C)O 9d426d75bc0b74d79c2ecab5d1bb9ee3 [0,2,0,0,0,0|2,0,0]=4 3922 B9R0.48 COCC(C)NC[C@@H](C)O 21c32a8f2e0c727ab10a3008d038f51d [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.48 COCC(C)NC[C@H](C)O 40d30d4246bdff9ff6144eec84f806f2 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.48 COCC(C)OCC(=O)O af12d17716abae98c4b6439f05d9b8db [0,2,0,0,0,0|1,0,1]=4 3925 B9R0.48 COCC(C)OCC(C)C 897ae5cd59a872ba0cf3df10dab20d2d [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.48 COCC(C)OCC(C)F 4771725281a83253494e9ea905e806d8 [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.48 COCC(C)OCC(C)S 5b26a3bde1fb1db5e25f3c0a4245e9c0 [0,2,0,0,0,0|1,1,0]=4 3928 B9R0.48 COCC(C)OCC(F)F 9bd00d67d45597d27159982ef24456ae [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.48 COCC(C)OCS(=O)O 8e0f3d4aa3af6e49675c6678bb54e2f6 [0,2,0,0,0,0|2,0,0]=4 3930 B9R0.48 COCC(C)OC[C@@H](C)F 5a650987f34f89519c82212c203c04c0 [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.48 COCC(C)OC[C@H](C)F 1b640814f678a6552709a6352a61bc37 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.48 COC[C@@H](C)NCC(C)O f8f0b486b1b430543e65cbf8a5d49074 [0,2,0,0,0,0|2,0,0]=4 3933 B9R0.48 COC[C@@H](C)NC[C@@H](C)O c47e09c5525570350b3644916dc03306 [0,2,0,0,0,0|2,0,0]=4 3934 B9R0.48 COC[C@@H](C)NC[C@H](C)O b9333b4228e5ddb20adaab9b26168d72 [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.48 COC[C@@H](C)OCC(=O)O 98562fabe6feb10b85b2a34b6a556f9c [0,2,0,0,0,0|1,0,1]=4 3936 B9R0.48 COC[C@@H](C)OCC(C)C 5b5fad6ccd96f6768a42d911f03ef030 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.48 COC[C@@H](C)OCC(F)F 1273196af2f67a671451f4e56320f986 [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.48 COC[C@H](C)NCC(C)O addac1b2d2405f2de2d0c66d63acd147 [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.48 COC[C@H](C)NC[C@@H](C)O d9024b970862d8842b400c0f9452e69a [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.48 COC[C@H](C)NC[C@H](C)O c0599c557023f0b41b90992bad8663f8 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.48 COC[C@H](C)OCC(=O)O 3f04353f9edb1d4c983cf07f5d5e3249 [0,2,0,0,0,0|1,0,1]=4 3942 B9R0.48 COC[C@H](C)OCC(C)C 4b3681d55e36bc149b23f34bc2c251dd [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.48 COC[C@H](C)OCC(F)F c16ca78879225338dd7554992c253d84 [0,2,0,0,0,0|2,0,0]=4 3944 B9R0.48 CSCC(C)OCC(=O)O 55d35686540ec9ccedd07c412d0e4191 [0,2,0,0,0,0|1,0,1]=4 3945 B9R0.48 CSCC(C)OCC(C)C a697430b7387ef54e43f4d719f65a66f [0,2,0,0,0,0|2,0,0]=4 3946 B9R0.48 CSCC(C)OCC(F)F 31ab75890c8ab4d073aca10e37970bae [0,2,0,0,0,0|2,0,0]=4 3947 B9R0.48 C[C@@H](O)CNC(=O)CCO 01b1ffada3c2f0f23e1dce4445c2104f [0,2,0,0,0,0|2,0,0]=4 3948 B9R0.48 C[C@@H](O)CN[C@@H](C)CCO 532fc1d968518803338dab4b16b55976 [0,2,0,0,0,0|2,0,0]=4 3949 B9R0.48 C[C@H](CCO)NC[C@@H](C)O a32e42b56da6aad0cbc516b448fc537f [0,2,0,0,0,0|2,0,0]=4 3950 B9R0.48 C[C@H](O)CNC(=O)CCO e03a4db8a40c5ae1a7bd3001f9c12be5 [0,2,0,0,0,0|2,0,0]=4 3951 B9R0.48 C[C@H](O)CN[C@@H](C)CCO 0b20a83189180fc44a706f9440afb8c2 [0,2,0,0,0,0|2,0,0]=4 3952 B9R0.48 C[C@H](O)CN[C@H](C)CCO 041b059991b49ab1041acbb2f9f2566a [0,2,0,0,0,0|2,0,0]=4 3953 B9R0.66 CC(C)(CCO)NCCO c92ebf979b35e8cfabc9b7c3373d3d62 [0,2,0,0,0,0|2,0,0]=4 3954 B9R0.66 CCCC(C)(O)CNCO 6a91db41e72d70c2efece2f5909e5d72 [0,2,0,0,0,0|2,0,0]=4 3955 B9R0.66 CCCNC(C)(C)CCO 546d2975b8189e89e4edf5b39959c4ad [0,2,0,0,0,0|2,0,0]=4 3956 B9R0.66 CCNC(C)(C)CCCO 86e07481a48066bb78c9372a3b701acf [0,2,0,0,0,0|2,0,0]=4 3957 B9R0.66 COCC(C)(C)NCCO ce55b0b6c38823d2fde09f6b4484b53a [0,2,0,0,0,0|2,0,0]=4 3958 B9R0.66 CSCC(C)(C)NCCO 08421611027062ee425e1591d3f6dbd4 [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.2 C#CCCCNCC(C)O 743ece49ea594253f3b067422e639a28 [0,2,0,0,0,0|1,0,1]=4 3960 B9R0.2 C#CCCCNC[C@@H](C)O b6c3dc820019335890da18a8301b2828 [0,2,0,0,0,0|1,0,1]=4 3961 B9R0.2 C#CCCCNC[C@H](C)O b4ea71b662d375aceb901f8888445658 [0,2,0,0,0,0|1,0,1]=4 3962 B9R0.2 C#CCCCOCC(=O)O 2f70653e4facc4c8d709313f8dc49158 [0,2,0,0,0,0|0,0,2]=4 3963 B9R0.2 C#CCCCOCC(C)C 26dcc55f402a4a441cca08e0dd9298c3 [0,2,0,0,0,0|1,0,1]=4 3964 B9R0.2 C#CCCCOCC(C)F a8a0a9de696b681b56a2457524ff2b0b [0,2,0,0,0,0|1,0,1]=4 3965 B9R0.2 C#CCCCOCC(C)S f35bba1e637a93e6447308b0848ab172 [0,2,0,0,0,0|0,1,1]=4 3966 B9R0.2 C#CCCCOCC(F)F 833ffdefc9bb50315a1c6f594b8a4110 [0,2,0,0,0,0|1,0,1]=4 3967 B9R0.2 C#CCCCOCS(=O)O 29f2f36ea91b87fb43128c2c7982145c [0,2,0,0,0,0|1,0,1]=4 3968 B9R0.2 C#CCCCOC[C@@H](C)F 844720b66735c0ad3c0ebb4721b77d01 [0,2,0,0,0,0|1,0,1]=4 3969 B9R0.2 C#CCCCOC[C@H](C)F 54f3472d90c2aa6c02f8def158b9b448 [0,2,0,0,0,0|1,0,1]=4 3970 B9R0.2 C#CCCNCCC(C)C b1a4973baff4e57611970da58e78e644 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.2 C#CCCNCCC(C)O 093c037a96141adbb36587d1f97d0ce8 [0,2,0,0,0,0|2,0,0]=4 3972 B9R0.2 C#CCCNCC[C@@H](C)O 532ed56967e54fee06b7803176533b30 [0,2,0,0,0,0|2,0,0]=4 3973 B9R0.2 C#CCCNCC[C@H](C)O 829871eae3c7b1999b0a895e053fa5ab [0,2,0,0,0,0|2,0,0]=4 3974 B9R0.2 C#CCCOCCC(=C)C 5a78141a9181783fc759467b6eb8f17f [0,2,0,0,0,0|1,0,1]=4 3975 B9R0.2 C#CCCOCCC(=O)C b8244bb9bfd056e8f9af77c283ea3633 [0,2,0,0,0,0|1,0,1]=4 3976 B9R0.2 C#CCCOCCC(=O)O 2c4ce5e28749673faf099da9626deea5 [0,2,0,0,0,0|0,0,2]=4 3977 B9R0.2 C#CCCOCCC(C)C f9f2b45824a5d8c42bb6eded3900c820 [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.2 C#CCCOCCC(F)F b4d91e2b355920b5f2863e0ad9fab5b7 [0,2,0,0,0,0|2,0,0]=4 3979 B9R0.2 C#CCCOCCN(C)C 7e9994b97b69421cdc08ef885f69db5b [0,2,0,0,0,0|2,0,0]=4 3980 B9R0.2 C#CCCOCCS(=O)C a6fc1ea5988849a716d727c9f60f27c0 [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.2 C#CCCOCOC(C)C 9d5911500b868a97450b37d1ebd3547e [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.2 C#CCOCCCC(=C)C 77fe6b45012f4c4cda8ce24755b499f5 [0,2,0,0,0,0|1,0,1]=4 3983 B9R0.2 C#CCOCCCC(=O)C 262583a5c500c382f7e7a9ff6529f8ea [0,2,0,0,0,0|1,0,1]=4 3984 B9R0.2 C#CCOCCCC(C)C 2815610c8f76c4294306b48ead8a4bf3 [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.2 C#CCOCCCN(C)C 93e37d7570de120f5f647b5a388991c6 [0,2,0,0,0,0|1,0,1]=4 3986 B9R0.2 C#CCOCCNC(C)C 965c31ae05a15eddb0f89aa28b205a0c [0,2,0,0,0,0|1,0,1]=4 3987 B9R0.2 C#CCOCCOC(C)C a2ba4bdef4fba2f7c182446c81d0b43c [0,2,0,0,0,0|1,0,1]=4 3988 B9R0.2 C#CCOCCSC(C)C 3e2240bd5d3584dd5ce97053523557da [0,2,0,0,0,0|1,0,1]=4 3989 B9R0.2 C/C=C/CCOCC(=O)O d02eb75e5aadfb9961c8467e0504d028 [0,2,0,0,0,0|0,0,2]=4 3990 B9R0.2 C/C=C/CCOCC(C)C c5f8b119ea4d624eb9d257ad00c1f77f [0,2,0,0,0,0|1,0,1]=4 3991 B9R0.2 C/C=C/CCOCC(F)F 274b2bc5923227804c173dbc28b35410 [0,2,0,0,0,0|1,0,1]=4 3992 B9R0.2 C/C=C/COCCC(=O)O de4483f9043c4323aa635f969181027c [0,2,0,0,0,0|0,0,2]=4 3993 B9R0.2 C/C=C/COCCC(C)C d70bf3413b611544a4afaa244a184a93 [0,2,0,0,0,0|1,0,1]=4 3994 B9R0.2 C/C=C\COCCC(=O)O 77884cf4196c6ee578ac2dc56b34854b [0,2,0,0,0,0|0,0,2]=4 3995 B9R0.2 C/C=C\COCCC(C)C 009e3b7c7e2987e5c250113058fc0d2b [0,2,0,0,0,0|1,0,1]=4 3996 B9R0.2 C=C(Br)CCOCCCC 89aeee49c614e8b481f89262dbe440df [0,2,0,0,0,0|1,0,0]=3 3997 B9R0.2 C=C(Br)CCOCCCF 08ac2e8fb91b2fcff0fda563b7ff8c56 [0,2,0,0,0,0|2,0,0]=4 3998 B9R0.2 C=C(Br)CCOCCCS 61e491a5e045ff62deb7b9a7fa27f14e [0,2,0,0,0,0|2,0,0]=4 3999 B9R0.2 C=C(Br)CCOCCOC a62c141e23f02e0dd3bd90886ea4c3c3 [0,2,0,0,0,0|0,0,2]=4 4000 B9R0.2 C=C(Br)CCOCCSC 650adca430c56802c92cbb8dffeb10d2 [0,2,0,0,0,0|2,0,0]=4 4001 B9R0.2 C=C(Br)CCOCOCC 9c266a169a6b731fe0e057eb8001d1f9 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.2 C=C(Br)COCCCCC d3362ef2dbe291c29da898c0e2060a14 [0,2,0,0,0,0|1,0,1]=4 4003 B9R0.2 C=C(Br)COCCCCF cd90ef163e98b46dcbf73fd6b66f406e [0,2,0,0,0,0|1,0,1]=4 4004 B9R0.2 C=C(Br)COCCCCS 6f8de5642f894539d555799ccbdcc37d [0,2,0,0,0,0|1,0,1]=4 4005 B9R0.2 C=C(Br)COCCCOC cd22307043a4a4b2f52da469ae9be5f1 [0,2,0,0,0,0|1,0,1]=4 4006 B9R0.2 C=C(Br)COCCCSC c0fa526ed600ecc0d780c699bd6db040 [0,2,0,0,0,0|1,0,1]=4 4007 B9R0.2 C=C(Br)COCCOCC 499fdf490c6b0aa16a42dc6262ffdd3a [0,2,0,0,0,0|1,0,1]=4 4008 B9R0.2 C=C(Br)COCCSCC 36301ec92908db3abda4d03a8faccc8e [0,2,0,0,0,0|1,0,1]=4 4009 B9R0.2 C=C(C)CCCNCCBr 8986ff0e04952bb90f74c67731a75fd2 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.2 C=C(C)CCCNCCC c3cac283cbd12fbf0ac91ae77d2206d5 [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.2 C=C(C)CCCNCCF d3c4c55543f36bd3903e059501c3d001 [0,2,0,0,0,0|2,0,0]=4 4012 B9R0.2 C=C(C)CCCNCCI 184729b900abd96b8560210fbdea6404 [0,2,0,0,0,0|2,0,0]=4 4013 B9R0.2 C=C(C)CCCNCCO 72fb4abcfc8c2de4dbf836b0a286d07d [0,2,0,0,0,0|1,0,0]=3 4014 B9R0.2 C=C(C)CCCNCCS 14d4198a01b6e03d3a77d8b021a66905 [0,2,0,0,0,0|1,1,0]=4 4015 B9R0.2 C=C(C)CCCOCC#N b34465f690a7908efe3631d7804d9a0a [0,2,0,0,0,0|1,0,1]=4 4016 B9R0.2 C=C(C)CCCOCC=O 31f7e141eed9075e295048839fc5c90d [0,2,0,0,0,0|0,0,2]=4 4017 B9R0.2 C=C(C)CCCOCCC 4f69b68cc6888e5abf6b0488c9a109cb [0,2,0,0,0,0|1,0,0]=3 4018 B9R0.2 C=C(C)CCCOCCF 76308bdaa6e0eb46160468a356d7a021 [0,2,0,0,0,0|1,0,0]=3 4019 B9R0.2 C=C(C)CCCOCCS a710447b0c92193b6683bcf667e183ab [0,2,0,0,0,0|0,1,0]=3 4020 B9R0.2 C=C(C)CCCOCOC 53d906b0b2c23661dc9c041465ee2d83 [0,2,0,0,0,0|2,0,0]=4 4021 B9R0.2 C=C(C)CCCOCSC 9ff01b72a38ffef747abe164c40eb460 [0,2,0,0,0,0|2,0,0]=4 4022 B9R0.2 C=C(C)CCNCCCC 09dea3d5646408c299eb2754a1e1c1cd [0,2,0,0,0,0|2,0,0]=4 4023 B9R0.2 C=C(C)CCNCCCO 237e934407e2f80895a50d460e0c174d [0,2,0,0,0,0|1,0,1]=4 4024 B9R0.2 C=C(C)CCNCCOC aa8a0a94c006c73f923a51cdae3f1f8e [0,2,0,0,0,0|1,0,1]=4 4025 B9R0.2 C=C(C)CCNCCON 2f3c928b0b189cd23b5f56cd04e88bbd [0,2,0,0,0,0|1,0,1]=4 4026 B9R0.2 C=C(C)CCOCCC#N 7e51ca80754d689b9e4170c0d6d391c3 [0,2,0,0,0,0|1,0,1]=4 4027 B9R0.2 C=C(C)CCOCCC=O 98b2f70da8b91ef28535ddbb6c06716f [0,2,0,0,0,0|0,0,2]=4 4028 B9R0.2 C=C(C)CCOCCCC 43e61bb8669727040bdbd33fc265d7ab [0,2,0,0,0,0|1,0,0]=3 4029 B9R0.2 C=C(C)CCOCCCF 4f05183773f76ad70187bfb2b5db2add [0,2,0,0,0,0|1,0,1]=4 4030 B9R0.2 C=C(C)CCOCCCS 54edad4905aa6a90dd74a875f3b8580c [0,2,0,0,0,0|0,1,1]=4 4031 B9R0.2 C=C(C)CCOCCOC 67bd7d77bcb9250ea71c8a04c5abf232 [0,2,0,0,0,0|0,0,1]=3 4032 B9R0.2 C=C(C)CCOCCSC 2419d01dab7f58e2ba353b19229cf906 [0,2,0,0,0,0|0,1,1]=4 4033 B9R0.2 C=C(C)CCOCOCC 8f670049fe2e01cc3448c7e08491639e [0,2,0,0,0,0|1,0,1]=4 4034 B9R0.2 C=C(C)CNCCCCO f295044566a501ed18f2fadfcbe93198 [0,2,0,0,0,0|1,0,1]=4 4035 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [0,2,0,0,0,0|1,0,1]=4 4036 B9R0.2 C=C(C)COCCCCF cf601ba6ef881d7ca1cf3f8cbe7608cb [0,2,0,0,0,0|1,0,1]=4 4037 B9R0.2 C=C(C)COCCCCS 8620ff2b2c37e1b6d86f0c7727ba02cb [0,2,0,0,0,0|1,0,1]=4 4038 B9R0.2 C=C(C)COCCCOC 2997bb7f8cda230019814f31b39c3495 [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.2 C=C(C)COCCCSC b8eaf779a617118d20a8c289148d24b7 [0,2,0,0,0,0|1,0,1]=4 4040 B9R0.2 C=C(C)COCCOCC 49014f9a0948543aa38cd68db94b7916 [0,2,0,0,0,0|1,0,1]=4 4041 B9R0.2 C=C(C)COCCSCC a78c536cb05957de27781c26ce16a376 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.2 C=C(Cl)COCCCCC 57ce6103051dc6a3f88df4c556cae1cb [0,2,0,0,0,0|1,0,1]=4 4043 B9R0.2 C=C(Cl)COCCCCF 567382900af5cdbe29a16c2ad078542b [0,2,0,0,0,0|1,0,1]=4 4044 B9R0.2 C=C(Cl)COCCCCS 6d2e486e1ec1a305effa235ddd5681b2 [0,2,0,0,0,0|1,0,1]=4 4045 B9R0.2 C=C(Cl)COCCCOC a468fb93755d9f5366e10bd900631531 [0,2,0,0,0,0|1,0,1]=4 4046 B9R0.2 C=C(Cl)COCCCSC 9f18158a03f253996639947f3c3e438f [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.2 C=C(Cl)COCCOCC 421cc8d91a44a370d0764c174fc7914a [0,2,0,0,0,0|1,0,1]=4 4048 B9R0.2 C=C(Cl)COCCSCC d345fb4a323db8f45f6ac36761aa1ebe [0,2,0,0,0,0|1,0,1]=4 4049 B9R0.2 C=C(F)COCCCCC 0f55d43253501cd8e5c46108728cd273 [0,2,0,0,0,0|1,0,1]=4 4050 B9R0.2 C=C(F)COCCCCF d33e0990d3dfe90fd10847ec2a6c2d5d [0,2,0,0,0,0|1,0,1]=4 4051 B9R0.2 C=C(F)COCCCCS 4b1e094f2ade4de23dfea50a3fbd3605 [0,2,0,0,0,0|1,0,1]=4 4052 B9R0.2 C=C(F)COCCCOC 099ba9b5ad1513a7e3cbef2be9d1fdac [0,2,0,0,0,0|1,0,1]=4 4053 B9R0.2 C=C(F)COCCCSC 3774eb63bb00bd17a7135027babe2992 [0,2,0,0,0,0|1,0,1]=4 4054 B9R0.2 C=C(F)COCCOCC ad422a2bc0564566d990a9adfdecaac6 [0,2,0,0,0,0|1,0,1]=4 4055 B9R0.2 C=C(F)COCCSCC bbd04362f0872b5ceba8a7a42c56bfb4 [0,2,0,0,0,0|1,0,1]=4 4056 B9R0.2 C=C(I)COCCCCC c852b2428fca73d35ed637c77ee2c36e [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.2 C=C(I)COCCCCF 08ab89f0db0ad370ac41c4b15db42cba [0,2,0,0,0,0|1,0,1]=4 4058 B9R0.2 C=C(I)COCCCOC 369b68cc758a31d752e1dc56f8ee0af7 [0,2,0,0,0,0|1,0,1]=4 4059 B9R0.2 C=C(I)COCCCSC 5d0c97ba36352d4811d8649d537df4d6 [0,2,0,0,0,0|1,0,1]=4 4060 B9R0.2 C=C(I)COCCOCC 0b5afc65e1ebe418868266904d39aa3a [0,2,0,0,0,0|1,0,1]=4 4061 B9R0.2 C=C(I)COCCSCC e5211c118d8c61788b0570d5ad93a21c [0,2,0,0,0,0|1,0,1]=4 4062 B9R0.2 C=CCCCNCC(C)O 4a3b6f82c18763a4fc62f442d8f6e078 [0,2,0,0,0,0|1,0,1]=4 4063 B9R0.2 C=CCCCNC[C@@H](C)O 983f0c675aea640173991cab18e2df22 [0,2,0,0,0,0|1,0,1]=4 4064 B9R0.2 C=CCCCNC[C@H](C)O a263ed32c61d1371d0b28eb47dc2375c [0,2,0,0,0,0|1,0,1]=4 4065 B9R0.2 C=CCCCOCC(=O)O 1c361a5699eb9366896dc4e13da269f8 [0,2,0,0,0,0|0,0,2]=4 4066 B9R0.2 C=CCCCOCC(C)C 65d5a16810333c61b1decb3cdf4c633e [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.2 C=CCCCOCC(C)F ebd6c46dc6feb1a9b0cd67651d6381bb [0,2,0,0,0,0|1,0,1]=4 4068 B9R0.2 C=CCCCOCC(C)S e1b8c86c5c63d2741e4da26ed9f7909e [0,2,0,0,0,0|0,1,1]=4 4069 B9R0.2 C=CCCCOCC(F)F adb62c609e2a4ed55a47ddc66536197e [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.2 C=CCCCOCS(=O)O c9d562aa38377771bc1c2a1e6304d1e4 [0,2,0,0,0,0|1,0,1]=4 4071 B9R0.2 C=CCCCOC[C@@H](C)F 9809ea5df8507870959787a7efe1be52 [0,2,0,0,0,0|1,0,1]=4 4072 B9R0.2 C=CCCCOC[C@H](C)F a96e0b56fe6ecfed1be90097d9bc1b6d [0,2,0,0,0,0|1,0,1]=4 4073 B9R0.2 C=CCCNCCC(C)C fae91ca1d68c6146fdd58721047b97e7 [0,2,0,0,0,0|2,0,0]=4 4074 B9R0.2 C=CCCNCCC(C)O b8492dec9a37e008414ce0bf89db15b0 [0,2,0,0,0,0|2,0,0]=4 4075 B9R0.2 C=CCCNCC[C@@H](C)O f3546862ad4e759378d31e927269ce7b [0,2,0,0,0,0|2,0,0]=4 4076 B9R0.2 C=CCCNCC[C@H](C)O a2cdfa15e30295a5704136a6f7dfa9db [0,2,0,0,0,0|2,0,0]=4 4077 B9R0.2 C=CCCOCCC(=C)C d03e028db1137b4f0e447e561dff7239 [0,2,0,0,0,0|1,0,1]=4 4078 B9R0.2 C=CCCOCCC(=O)C 132546dab84893072980505fc0c16835 [0,2,0,0,0,0|1,0,1]=4 4079 B9R0.2 C=CCCOCCC(=O)O 4d70a4bce8840eff55803b219a083b32 [0,2,0,0,0,0|0,0,2]=4 4080 B9R0.2 C=CCCOCCC(C)C 792c9a1755bacca74235abb3c322c011 [0,2,0,0,0,0|1,0,0]=3 4081 B9R0.2 C=CCCOCCC(F)F f03c1f544fe77b2c45906fa366810b66 [0,2,0,0,0,0|2,0,0]=4 4082 B9R0.2 C=CCCOCCN(C)C 923323255e87afbaf59a0bb53c2394c5 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.2 C=CCCOCCS(=O)C 6c2eb61b2a3bbb2e7a5a30de108d3a8d [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.2 C=CCCOCOC(C)C 06614be4eddf16a0020962a5e7b5b398 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.2 C=CCOCCCC(=C)C 76e95f7e92154fd318395db4b0cdc1dd [0,2,0,0,0,0|1,0,1]=4 4086 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [0,2,0,0,0,0|1,0,1]=4 4087 B9R0.2 C=CCOCCCC(C)C ce1ea84c12026359cf2725f08aa7a070 [0,2,0,0,0,0|1,0,1]=4 4088 B9R0.2 C=CCOCCCN(C)C 91a5e5763d7633b0a06ea1c39345bbda [0,2,0,0,0,0|1,0,1]=4 4089 B9R0.2 C=CCOCCOC(C)C 64e038ab048ac5eba8efb42f7a120613 [0,2,0,0,0,0|1,0,1]=4 4090 B9R0.2 C=CCOCCSC(C)C 75d998ca421b16afe4184cffadd19bdf [0,2,0,0,0,0|1,0,1]=4 4091 B9R0.2 CC#CCCOCC(=O)O ee60ee9c54d89ce6a41b3081a53bfa26 [0,2,0,0,0,0|0,0,2]=4 4092 B9R0.2 CC#CCCOCC(C)C 7e2f72c20f055fd9193c1eb66cf086ad [0,2,0,0,0,0|1,0,1]=4 4093 B9R0.2 CC#CCCOCC(F)F 7d1752b17acbe0cf8eb95e286445a363 [0,2,0,0,0,0|1,0,1]=4 4094 B9R0.2 CC#CCOCCC(=O)O 5ac07d6c3659090ccf8b4b71d487a81f [0,2,0,0,0,0|0,0,2]=4 4095 B9R0.2 CC#CCOCCC(C)C cdff65922272a9cba01c90af8f2dd55f [0,2,0,0,0,0|1,0,1]=4 4096 B9R0.2 CC(=CCCNCCO)C 43d44608cf73d89e49db9d730f5af837 [0,2,0,0,0,0|1,0,1]=4 4097 B9R0.2 CC(=CCCOCCF)C c88f7a02058ed24753803e8bf51b0d75 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.2 CC(=CCCOCCS)C c17f55f10e92bd2ee1696a053bf650c3 [0,2,0,0,0,0|0,1,1]=4 4099 B9R0.2 CC(=O)CCCNCCBr 1e005c174e2bef64faf35d14b6a15eea [0,2,0,0,0,0|2,0,0]=4 4100 B9R0.2 CC(=O)CCCNCCF 9a338bc1bad25f0148e24f3766691141 [0,2,0,0,0,0|2,0,0]=4 4101 B9R0.2 CC(=O)CCCNCCI af38eb95e88d6a5b58dd1b2dbaca4ac4 [0,2,0,0,0,0|2,0,0]=4 4102 B9R0.2 CC(=O)CCCNCCO 047c4ea1e2699a309316392bf693b2f3 [0,2,0,0,0,0|1,0,0]=3 4103 B9R0.2 CC(=O)CCCNCCS e726854461e235aec0dd95b143ec9df5 [0,2,0,0,0,0|1,1,0]=4 4104 B9R0.2 CC(=O)CCCOCC#N caf3bb89150326b8ed85d677acf64490 [0,2,0,0,0,0|1,0,1]=4 4105 B9R0.2 CC(=O)CCCOCC=O 7ff95c1b28ea07d48ab7c219ca5a33c9 [0,2,0,0,0,0|0,0,2]=4 4106 B9R0.2 CC(=O)CCCOCCF 8be6dab59aed4b188d6918cf109dee02 [0,2,0,0,0,0|1,0,0]=3 4107 B9R0.2 CC(=O)CCCOCCS 3982bfab81dc2189a86b86f7de9c7da1 [0,2,0,0,0,0|0,1,0]=3 4108 B9R0.2 CC(=O)CCNCCCO 41ab0e7b58a0373c2b6f1dd023df8651 [0,2,0,0,0,0|1,0,1]=4 4109 B9R0.2 CC(=O)CCNCCON 9bd97024ba9f3f633d947f18f3f9b348 [0,2,0,0,0,0|1,0,1]=4 4110 B9R0.2 CC(=O)CCOCCC#N abcf2575f82c8fd6a857dd87387e2243 [0,2,0,0,0,0|1,0,1]=4 4111 B9R0.2 CC(=O)CCOCCC=O 9224f481da653bff9a4e2ad03dac676e [0,2,0,0,0,0|0,0,2]=4 4112 B9R0.2 CC(=O)CCOCCCF a3645cce14ff471e4950eb3d53ebfd63 [0,2,0,0,0,0|1,0,1]=4 4113 B9R0.2 CC(=O)CCOCCCS 810c89f99c573084959f96ce51de3f91 [0,2,0,0,0,0|0,1,1]=4 4114 B9R0.2 CC(=O)CNCCCCO 96082e5297f4b4820c770800699f2247 [0,2,0,0,0,0|1,0,1]=4 4115 B9R0.2 CC(=O)COCCCCF 3914679278dfa87c5ec7633c52c8c323 [0,2,0,0,0,0|0,0,2]=4 4116 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [0,2,0,0,0,0|1,0,1]=4 4117 B9R0.2 CC(=O)NCCNCCO bfd2a90f03ebdd248fdc140ab742c195 [0,2,0,0,0,0|1,0,1]=4 4118 B9R0.2 CC(=O)NCCOCCF 0973cce223af140d06d4871f0bda3943 [0,2,0,0,0,0|1,0,1]=4 4119 B9R0.2 CC(=O)NCCOCCO 57d4166bc7f64eeb4fe6b2614e2e763f [0,2,0,0,0,0|0,0,1]=3 4120 B9R0.2 CC(=O)NCCOCCS fc352a6fdb39855a43a3d0ad8c15f379 [0,2,0,0,0,0|0,1,1]=4 4121 B9R0.2 CC(=O)NCCSCCO 0bd987c0ecd20e315a5e853d68c36be8 [0,2,0,0,0,0|0,1,1]=4 4122 B9R0.2 CC(=O)OCCNCCO fbc6a9b22162aa146956efcd3fed83de [0,2,0,0,0,0|1,0,1]=4 4123 B9R0.2 CC(=O)OCCOCCF 5233cd269967a92f3e4bf92bf7bbcb9d [0,2,0,0,0,0|1,0,1]=4 4124 B9R0.2 CC(=O)OCCOCCS 63ea2c4adc5d14c13c2d8bc53161cf6c [0,2,0,0,0,0|0,1,1]=4 4125 B9R0.2 CC(=O)SCCNCCO f793beb03d64f0dfcb25ac2a3004ffc4 [0,2,0,0,0,0|1,0,1]=4 4126 B9R0.2 CC(=O)SCCOCCF 97f7396d15109ed2126bfd23c7da33fa [0,2,0,0,0,0|1,0,1]=4 4127 B9R0.2 CC(=O)SCCOCCS 749ecc917cc404f091b4a3e262baed35 [0,2,0,0,0,0|0,1,1]=4 4128 B9R0.2 CC(C)/C=C/CNCCO 66bca279c81e0d0e4ea18c78ab911bf1 [0,2,0,0,0,0|1,0,1]=4 4129 B9R0.2 CC(C)/C=C/COCCF 0d0d59f3c4485798ca4aa74065824040 [0,2,0,0,0,0|1,0,1]=4 4130 B9R0.2 CC(C)/C=C/COCCS bebe2619c523511d6d0f072bcec79a1b [0,2,0,0,0,0|0,1,1]=4 4131 B9R0.2 CC(C)CCCCOCF f3b722f8d58182c1fd9af9438362dbc9 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.2 CC(C)CCCNCCBr b7d6416d41a8d8b043114eb9d25fd084 [0,2,0,0,0,0|2,0,0]=4 4133 B9R0.2 CC(C)CCCNCCF cae69e3d43f52e964c9ca30c89572657 [0,2,0,0,0,0|2,0,0]=4 4134 B9R0.2 CC(C)CCCNCCI 90c8ce226d0260d0967afa2e501e2135 [0,2,0,0,0,0|2,0,0]=4 4135 B9R0.2 CC(C)CCCNCCO 792143707f2bda6c4365b4fdbb4b413c [0,2,0,0,0,0|1,0,0]=3 4136 B9R0.2 CC(C)CCCNCCS 1447d71bb66626d0b32a83f48256250f [0,2,0,0,0,0|1,1,0]=4 4137 B9R0.2 CC(C)CCCOCC#N 06fd618c8b5ab386cf0bc20f93792d42 [0,2,0,0,0,0|1,0,1]=4 4138 B9R0.2 CC(C)CCCOCC=O bdd24f9b5eb3e927a3ba2032fbfb17f1 [0,2,0,0,0,0|0,0,2]=4 4139 B9R0.2 CC(C)CCCOCCF 28b58f2b3681d1d6fee121e2a302200f [0,2,0,0,0,0|1,0,0]=3 4140 B9R0.2 CC(C)CCCOCCS b10e3a2d8503d5801319565b78445a81 [0,2,0,0,0,0|0,1,0]=3 4141 B9R0.2 CC(C)CCNC/C=C\O 4a69f39b034ff59b8a1dc33249998561 [0,2,0,0,0,0|1,0,1]=4 4142 B9R0.2 CC(C)CCNCCC#N a8ba0cfbf81f9306d3d43fcb36417d99 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.2 CC(C)CCNCCC=O 3b8ed8b8e431e36419922df1c8d0950c [0,2,0,0,0,0|1,0,1]=4 4144 B9R0.2 CC(C)CCNCCCCl 6b9795fdcd9da3d8230813c028ca1ec2 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.2 CC(C)CCNCCCF 854a9911ee43659052fd5caa66875a1b [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.2 CC(C)CCNCCCO eca7ad0d2c54b51c5aaeb877cb5ad346 [0,2,0,0,0,0|1,0,0]=3 4147 B9R0.2 CC(C)CCNCCCS d0e9b2be9c31cc9392ea5d1d479cedc9 [0,2,0,0,0,0|1,1,0]=4 4148 B9R0.2 CC(C)CCNCCON e6d68c30b69f2e5a09dd189141306876 [0,2,0,0,0,0|1,0,0]=3 4149 B9R0.2 CC(C)CCOC/C=C/Cl af36774aea6890b49c96e57bfbd85829 [0,2,0,0,0,0|1,0,1]=4 4150 B9R0.2 CC(C)CCOC/C=C\Cl 14694a3bf1719ab61da2a1bcc432778d [0,2,0,0,0,0|1,0,1]=4 4151 B9R0.2 CC(C)CCOCC#CI 033a628031185df9b2008e4bf6372d7f [0,2,0,0,0,0|1,0,1]=4 4152 B9R0.2 CC(C)CCOCC=CCl 2319fde1b40d065e576c3f130ba40a66 [0,2,0,0,0,0|1,0,1]=4 4153 B9R0.2 CC(C)CCOCCC#N cba9363079b4448bc2de1026c400eed1 [0,2,0,0,0,0|1,0,0]=3 4154 B9R0.2 CC(C)CCOCCC=O 35e5fe09d7f172e01a3fc9fb57f41a74 [0,2,0,0,0,0|0,0,1]=3 4155 B9R0.2 CC(C)CCOCCCF a4554d12916afd4836094e430ac63586 [0,2,0,0,0,0|1,0,0]=3 4156 B9R0.2 CC(C)CCOCCCS 35237afc9f97d012e4f412033cf35c90 [0,2,0,0,0,0|0,1,0]=3 4157 B9R0.2 CC(C)CCOCSC#N 03c77d29ade236bd79097ff065268dfa [0,2,0,0,0,0|1,0,1]=4 4158 B9R0.2 CC(C)CNCC#CCO 5856a00352be64e94c1346b6c54ab4f8 [0,2,0,0,0,0|1,0,1]=4 4159 B9R0.2 CC(C)CNCCCCCl 49fd4c9a71162fd6b2f70088d0181735 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.2 CC(C)CNCCCCF e7f9801ea8cad354b21faeda1d8bea21 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.2 CC(C)CNCCCCO 7cb286cfe0c029d2c875a40ca4fb0b64 [0,2,0,0,0,0|1,0,0]=3 4162 B9R0.2 CC(C)CNCCCCS 978ebd80591bd184a3aacb24e93c8325 [0,2,0,0,0,0|1,1,0]=4 4163 B9R0.2 CC(C)COCCCC#N fda07a0b2ce0eb63e044b2c76009e434 [0,2,0,0,0,0|1,0,1]=4 4164 B9R0.2 CC(C)COCCCC=O 9c821c872d407f7f9bdf7808cd327ff2 [0,2,0,0,0,0|1,0,1]=4 4165 B9R0.2 CC(C)COCCCCF 0ed604d83fff1859e13ea9542d6149c8 [0,2,0,0,0,0|1,0,0]=3 4166 B9R0.2 CC(C)COCCCCS b91b5ae0f889fae70c66f0e116827c8d [0,2,0,0,0,0|1,0,0]=3 4167 B9R0.2 CC(C)COCCOCF 2cd9c8a00d6000aa2e69301d067eddc6 [0,2,0,0,0,0|2,0,0]=4 4168 B9R0.2 CC(C)NCCCCCCl bee779e3cc64d70579426dc97c87cffd [0,2,0,0,0,0|2,0,0]=4 4169 B9R0.2 CC(C)NCCCCCO 1f208d8ec5575ad2e5d4dc53dbb64198 [0,2,0,0,0,0|1,0,0]=3 4170 B9R0.2 CC(C)NCCOCCO 7203a2feaa211528a82b00fe31622805 [0,2,0,0,0,0|0,0,0]=2 4171 B9R0.2 CC(C)NCCOCCS 6704cc2a769963f0ca263a573cc03772 [0,2,0,0,0,0|0,1,0]=3 4172 B9R0.2 CC(C)NCCSCCO e48ecac830d8effa63e06ec70f93dbd9 [0,2,0,0,0,0|0,1,0]=3 4173 B9R0.2 CC(C)OCCCCCF de570b03f4663d12bf011a0cae3168fb [0,2,0,0,0,0|2,0,0]=4 4174 B9R0.2 CC(C)OCCCNCO 6231d6da5c30604ffef4b61df1929e41 [0,2,0,0,0,0|2,0,0]=4 4175 B9R0.2 CC(C)OCCNCCBr 3c477612a65f9344df040c0b232e1564 [0,2,0,0,0,0|2,0,0]=4 4176 B9R0.2 CC(C)OCCNCCF 811edb42a666d28fcde828dbb2a7e29d [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.2 CC(C)OCCNCCI c1a628481ff267ae56faf5c95fd152dd [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.2 CC(C)OCCNCCO 55de75b1c2235bf3ece388e375366658 [0,2,0,0,0,0|1,0,0]=3 4179 B9R0.2 CC(C)OCCNCCS c3978b28cfdefa32c0ff41fc41ef759d [0,2,0,0,0,0|1,1,0]=4 4180 B9R0.2 CC(C)OCCOCC#N ca337317f886ca0a17f997f3a8d4afb6 [0,2,0,0,0,0|1,0,1]=4 4181 B9R0.2 CC(C)OCCOCC=O c04cf462a61c105059017408cf9c4096 [0,2,0,0,0,0|0,0,2]=4 4182 B9R0.2 CC(C)OCCOCCF 9d1771bf866bef1f4c53332bcc9d454c [0,2,0,0,0,0|1,0,0]=3 4183 B9R0.2 CC(C)OCCOCCS 5ae63862a7e6f4e71f20906cb9d43c01 [0,2,0,0,0,0|0,1,0]=3 4184 B9R0.2 CC(C)OCNCCCO f57caf52885e0338f8842a5c6416866d [0,2,0,0,0,0|2,0,0]=4 4185 B9R0.2 CC(C)OCNCCON 99f8fa45a20e22ab11b03edecb6ef8bb [0,2,0,0,0,0|2,0,0]=4 4186 B9R0.2 CC(C)OCOCCC#N 36d48c3b205a52035f8adcd4ea33f502 [0,2,0,0,0,0|2,0,0]=4 4187 B9R0.2 CC(C)OCOCCC=O 66572ae7050e7e05d12f1f1921ab4ac8 [0,2,0,0,0,0|1,0,1]=4 4188 B9R0.2 CC(C)OCOCCCF 0090d7df25ce61777757ca891b9c1b0a [0,2,0,0,0,0|2,0,0]=4 4189 B9R0.2 CC(C)OCOCCCS cbb8b07b7bc0acb7668239370aceae5f [0,2,0,0,0,0|1,1,0]=4 4190 B9R0.2 CC(C)SCCCNCO f532abefa2e4cedcf86a56ab393e39fd [0,2,0,0,0,0|2,0,0]=4 4191 B9R0.2 CC(C)SCCNCCBr e8935ed18557de0959134acaeb416257 [0,2,0,0,0,0|2,0,0]=4 4192 B9R0.2 CC(C)SCCNCCF 283ab2ae46fb2bd48d379d7ead38ab39 [0,2,0,0,0,0|2,0,0]=4 4193 B9R0.2 CC(C)SCCNCCI cb620d2943c71f67710792272c040d33 [0,2,0,0,0,0|2,0,0]=4 4194 B9R0.2 CC(C)SCCNCCO 6c1243721a47c44dc5b5998c704b8389 [0,2,0,0,0,0|1,0,0]=3 4195 B9R0.2 CC(C)SCCNCCS a77f123e7349fe0f948dfb72bf7f8522 [0,2,0,0,0,0|1,1,0]=4 4196 B9R0.2 CC(C)SCCOCC#N 7a8065d610809c3263b090fa12c82da3 [0,2,0,0,0,0|1,0,1]=4 4197 B9R0.2 CC(C)SCCOCC=O ec08f3bf045b5d5c092598851c9109d0 [0,2,0,0,0,0|0,0,2]=4 4198 B9R0.2 CC(C)SCCOCCF f12ec40a8b62fb8ca95674cc45056fc5 [0,2,0,0,0,0|1,0,0]=3 4199 B9R0.2 CC(C)SCCOCCS e03e9e3612c25caa79e518c8ea8e142f [0,2,0,0,0,0|0,1,0]=3 4200 B9R0.2 CC(F)COCCCC#N a577bff15262b78c5571ffe3bd37ee41 [0,2,0,0,0,0|1,0,1]=4 4201 B9R0.2 CC(F)COCCCC=O 45096cdcd588570c1ee49532928d3413 [0,2,0,0,0,0|1,0,1]=4 4202 B9R0.2 CC(F)COCCCCF 68691b98914085f897da4c603cce3788 [0,2,0,0,0,0|1,0,0]=3 4203 B9R0.2 CC(O)CCCNCCBr 846a80d7bd351c20925246d05170fa0a [0,2,0,0,0,0|2,0,0]=4 4204 B9R0.2 CC(O)CCCNCCF c8e3887a2439ccb3592fe170015fe6da [0,2,0,0,0,0|2,0,0]=4 4205 B9R0.2 CC(O)CCCNCCI d049963d4683c730c11fc2ac87702d47 [0,2,0,0,0,0|2,0,0]=4 4206 B9R0.2 CC(O)CCCNCCO 0303877d92750e8a64756316fc4bb9e6 [0,2,0,0,0,0|1,0,0]=3 4207 B9R0.2 CC(O)CCCNCCS c6438b2d80c9f6ff85d85ecf0e281737 [0,2,0,0,0,0|1,1,0]=4 4208 B9R0.2 CC(O)CCNC/C=C\O 96a542151eb72c27d8a3b50be68db1b4 [0,2,0,0,0,0|1,0,1]=4 4209 B9R0.2 CC(O)CCNCCC#N 17e401287e2e9fd61a8e44f6e079313c [0,2,0,0,0,0|2,0,0]=4 4210 B9R0.2 CC(O)CCNCCC=O dad92ac32d5c5e0bc77e419c63b4a071 [0,2,0,0,0,0|1,0,1]=4 4211 B9R0.2 CC(O)CCNCCCCl 0a32bed6279f094ef9401ca250c5ffa2 [0,2,0,0,0,0|2,0,0]=4 4212 B9R0.2 CC(O)CCNCCCF 9569faec1da967f7c66c5e0a60d104de [0,2,0,0,0,0|2,0,0]=4 4213 B9R0.2 CC(O)CCNCCCO 87acb0957134460d35e20a94643a56a5 [0,2,0,0,0,0|1,0,0]=3 4214 B9R0.2 CC(O)CCNCCCS c89ad0b413e9833571309ce26aa67448 [0,2,0,0,0,0|1,1,0]=4 4215 B9R0.2 CC(O)CCNCCON c5db7f8ce1262cf7d16acc7e21e81570 [0,2,0,0,0,0|1,0,0]=3 4216 B9R0.2 CC(O)CNCC#CCO 621e00f19cd91f5e4336773708852737 [0,2,0,0,0,0|1,0,1]=4 4217 B9R0.2 CC(O)CNCCCC#N 41c7b65fd390c847540f5716c4187c36 [0,2,0,0,0,0|1,0,1]=4 4218 B9R0.2 CC(O)CNCCCC=O daeba85824bf9b8a7fe9f07668cb65d2 [0,2,0,0,0,0|1,0,1]=4 4219 B9R0.2 CC(O)CNCCCCCl 65186c06faac50c9aeb9e91831d3a163 [0,2,0,0,0,0|1,0,0]=3 4220 B9R0.2 CC(O)CNCCCCF b87c1fb327b802173c8612462c330132 [0,2,0,0,0,0|1,0,0]=3 4221 B9R0.2 CC(O)CNCCCCO ce2dc7373bb7b816c2a9a5d12a2b9a76 [0,2,0,0,0,0|1,0,0]=3 4222 B9R0.2 CC(O)CNCCCCS 730d016fdad462f5c9daec1e7d2aec50 [0,2,0,0,0,0|1,0,0]=3 4223 B9R0.2 CC(S)COCCCC#N 82e0b51bbd8d6067959aa1f073a1c9c4 [0,2,0,0,0,0|0,1,1]=4 4224 B9R0.2 CC(S)COCCCC=O 2376ada453809bf361ec74ea138f968f [0,2,0,0,0,0|0,1,1]=4 4225 B9R0.2 CC(S)COCCCCF a79b3a7e2e3a1b77a14a54e74221c7c0 [0,2,0,0,0,0|0,1,0]=3 4226 B9R0.2 CC/C=C/CNCC(C)O 9a11d5b7d1af9be62999b57a8ae8f804 [0,2,0,0,0,0|1,0,1]=4 4227 B9R0.2 CC/C=C/CNC[C@@H](C)O b3d2f6b4ccb1c8896c6f624fc95ed3a1 [0,2,0,0,0,0|1,0,1]=4 4228 B9R0.2 CC/C=C/CNC[C@H](C)O 506e12ebd88eaf537f00c9771d87eb67 [0,2,0,0,0,0|1,0,1]=4 4229 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,2,0,0,0,0|0,0,2]=4 4230 B9R0.2 CC/C=C/COCC(C)C c9460f35b70c31b83a5819b1169bb38b [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.2 CC/C=C/COCC(C)F 2ad96937e40a6336180e444212541c7d [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.2 CC/C=C/COCC(C)S aa6cac99a5f42a16ef0496b3860a966b [0,2,0,0,0,0|0,1,1]=4 4233 B9R0.2 CC/C=C/COCC(F)F 5bc9ad48bfa098b015f13914fdffae5e [0,2,0,0,0,0|1,0,1]=4 4234 B9R0.2 CC/C=C/COCS(=O)O b0cb372b04d2defa6fc2884893f1c842 [0,2,0,0,0,0|1,0,1]=4 4235 B9R0.2 CC/C=C/COC[C@@H](C)F acbfd9459e7bcab51f27965009855a34 [0,2,0,0,0,0|1,0,1]=4 4236 B9R0.2 CC/C=C/COC[C@H](C)F 2d1fc03ea761a5394b91eddee2271875 [0,2,0,0,0,0|1,0,1]=4 4237 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,2,0,0,0,0|0,0,2]=4 4238 B9R0.2 CC/C=C\COCC(C)C 023c589a61e57ea137047af369f5362e [0,2,0,0,0,0|1,0,1]=4 4239 B9R0.2 CC/C=C\COCC(F)F 1789187fffb590269a195fa47b48af6c [0,2,0,0,0,0|1,0,1]=4 4240 B9R0.2 CC=CCOCCC(=O)O 34847ee459642c229d44db8cb0176d10 [0,2,0,0,0,0|0,0,2]=4 4241 B9R0.2 CC=CCOCCC(C)C 6a4ac7fe69724da0bd8975ee85d858c6 [0,2,0,0,0,0|1,0,1]=4 4242 B9R0.2 CCC#CCNCC(C)O 29bf36c370984f9a2f5955292f764556 [0,2,0,0,0,0|1,0,1]=4 4243 B9R0.2 CCC#CCNC[C@@H](C)O 43f68b388f674f958f9da0c614832231 [0,2,0,0,0,0|1,0,1]=4 4244 B9R0.2 CCC#CCNC[C@H](C)O ac4f9cf370d3b0698f2b7d81e33ac53b [0,2,0,0,0,0|1,0,1]=4 4245 B9R0.2 CCC#CCOCC(=O)O abd394d0e091b202a9408b79384836eb [0,2,0,0,0,0|0,0,2]=4 4246 B9R0.2 CCC#CCOCC(C)C a04b50d4ebf4a81d083f6e8e3ac2dd13 [0,2,0,0,0,0|1,0,1]=4 4247 B9R0.2 CCC#CCOCC(F)F a7f17df3627e471d059977f56e0b84bf [0,2,0,0,0,0|1,0,1]=4 4248 B9R0.2 CCCCCCNC(C)C b4470bdb41ca94cf2ace2a9a22274307 [0,2,0,0,0,0|2,0,0]=4 4249 B9R0.2 CCCCCCOC(C)C 7177762ff96f664d7658fbf17ddec082 [0,2,0,0,0,0|2,0,0]=4 4250 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [0,2,0,0,0,0|1,0,1]=4 4251 B9R0.2 CCCCCNCC(C)C 2a266c7fc85c9a2097a02175858c3e33 [0,2,0,0,0,0|2,0,0]=4 4252 B9R0.2 CCCCCNCC(C)O 9e9132e8083003550d3545b55a454f7b [0,2,0,0,0,0|1,0,0]=3 4253 B9R0.2 CCCCCNCC(F)F 546ed23aa626cb81583b04244998e9ea [0,2,0,0,0,0|2,0,0]=4 4254 B9R0.2 CCCCCNC[C@@H](C)O 089be76a49b8d969c37e3bf761f099cf [0,2,0,0,0,0|1,0,0]=3 4255 B9R0.2 CCCCCNC[C@H](C)O 5a490e8ff74a89416bf9c7c48d9e8ab5 [0,2,0,0,0,0|1,0,0]=3 4256 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [0,2,0,0,0,0|0,0,2]=4 4257 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [0,2,0,0,0,0|0,0,2]=4 4258 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [0,2,0,0,0,0|0,0,1]=3 4259 B9R0.2 CCCCCOCC(=S)N 2157e345254c9ce27b0fedd6edd60b5b [0,2,0,0,0,0|0,1,1]=4 4260 B9R0.2 CCCCCOCC(C)C a6db06e9998ef0b98995e61e46447184 [0,2,0,0,0,0|1,0,0]=3 4261 B9R0.2 CCCCCOCC(C)F eea869a5391d0127cad74008c90486f9 [0,2,0,0,0,0|1,0,0]=3 4262 B9R0.2 CCCCCOCC(C)S 1bb6ad855d7b5438b56773aa5b3dc08b [0,2,0,0,0,0|0,1,0]=3 4263 B9R0.2 CCCCCOCC(F)F 7959a5412761a52345173213c0a3fe31 [0,2,0,0,0,0|1,0,0]=3 4264 B9R0.2 CCCCCOCN(C)C b0d8f24f2252be6a84119d1d5f4bf089 [0,2,0,0,0,0|2,0,0]=4 4265 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [0,2,0,0,0,0|1,0,0]=3 4266 B9R0.2 CCCCCOC[C@@H](C)F 9a29c6c5b8fac1212082a3622373ef64 [0,2,0,0,0,0|1,0,0]=3 4267 B9R0.2 CCCCCOC[C@H](C)F 994b6cd7a84a65d29551f84dadbfb8db [0,2,0,0,0,0|1,0,0]=3 4268 B9R0.2 CCCCCOC[N+](=O)[O-] 7029c11439826706543058f3e0154ee4 [0,2,0,0,0,0|1,0,1]=4 4269 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [0,2,0,0,0,0|1,0,1]=4 4270 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [0,2,0,0,0,0|1,0,1]=4 4271 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [0,2,0,0,0,0|1,0,0]=3 4272 B9R0.2 CCCCNCCC(=S)N 7a74028cfb8507b34fa2a8c0010aaa96 [0,2,0,0,0,0|1,1,0]=4 4273 B9R0.2 CCCCNCCC(C)C 44a9470711d30a7f4f911ef0e5708bda [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.2 CCCCNCCC(C)O a3707e567169e0cb89818b82dd0db2ad [0,2,0,0,0,0|1,0,0]=3 4275 B9R0.2 CCCCNCCC(F)F f6b630447e80f020d036db13b3666b19 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.2 CCCCNCCN(C)C 276e58670905c90d29cab37bd4cde7f0 [0,2,0,0,0,0|2,0,0]=4 4277 B9R0.2 CCCCNCCS(=O)C ae9a13c0fc24ec4aec99b86861ef96f8 [0,2,0,0,0,0|1,0,1]=4 4278 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [0,2,0,0,0,0|1,0,0]=3 4279 B9R0.2 CCCCNCC[C@@H](C)O b4194f7259d3966751a8302ac0afc5f6 [0,2,0,0,0,0|1,0,0]=3 4280 B9R0.2 CCCCNCC[C@H](C)O 2bd9e0d91881457396737c14485be5ce [0,2,0,0,0,0|1,0,0]=3 4281 B9R0.2 CCCCNCOC(C)C 32a6bb964d8d43a916c6ff2488841278 [0,2,0,0,0,0|2,0,0]=4 4282 B9R0.2 CCCCOC/C=C(/C)\Cl 960fdaf47adbe5ca8fe9706c44ec1044 [0,2,0,0,0,0|1,0,1]=4 4283 B9R0.2 CCCCOC/C=C(/C)\I b03bc4260bec39be9cf79aca08c38129 [0,2,0,0,0,0|1,0,1]=4 4284 B9R0.2 CCCCOC/C=C(\C)/Cl 743307406907de86af1ae076bd836ab4 [0,2,0,0,0,0|1,0,1]=4 4285 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [0,2,0,0,0,0|1,0,1]=4 4286 B9R0.2 CCCCOCC=C(C)Cl 48d4f013d4d198147254b8b64c0376c6 [0,2,0,0,0,0|1,0,1]=4 4287 B9R0.2 CCCCOCC=C(C)I b84310eb2159cdbf6c2e4af756a6961c [0,2,0,0,0,0|1,0,1]=4 4288 B9R0.2 CCCCOCC=C(Cl)Cl d0b56f5b497e46da48877a2a743f5f62 [0,2,0,0,0,0|1,0,1]=4 4289 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [0,2,0,0,0,0|0,0,1]=3 4290 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [0,2,0,0,0,0|0,0,1]=3 4291 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [0,2,0,0,0,0|0,0,0]=2 4292 B9R0.2 CCCCOCCC(C)C 957ebfe7946e25745350d003aae73b70 [0,2,0,0,0,0|1,0,0]=3 4293 B9R0.2 CCCCOCCC(F)F e0eb329f82786f9e804b9c4e3afd51ae [0,2,0,0,0,0|1,0,0]=3 4294 B9R0.2 CCCCOCCN(C)C ff1cbc5eb8ee420c66fac7f9df7f979c [0,2,0,0,0,0|1,0,0]=3 4295 B9R0.2 CCCCOCCS(=O)C c23ab1353236b7d3fb5d5b7810b75cb1 [0,2,0,0,0,0|0,0,1]=3 4296 B9R0.2 CCCCOCC[N+](=O)[O-] 449ae182546390483eb4b610198267f3 [0,2,0,0,0,0|0,0,1]=3 4297 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [0,2,0,0,0,0|0,0,2]=4 4298 B9R0.2 CCCCOCNC(=O)N c8570fe5b0fca07c49ea855c2c714e28 [0,2,0,0,0,0|0,0,2]=4 4299 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [0,2,0,0,0,0|0,0,2]=4 4300 B9R0.2 CCCCOCOC(C)C 1a657fac5692c1c4dd3717de120d3c93 [0,2,0,0,0,0|1,0,0]=3 4301 B9R0.2 CCCCOCSC(=O)N d1d81793d91d56bfe6b40ff2fdeafcee [0,2,0,0,0,0|0,0,2]=4 4302 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [0,2,0,0,0,0|1,0,1]=4 4304 B9R0.2 CCCNCCCC(C)C 56db38ca7131898df70223675d651c95 [0,2,0,0,0,0|2,0,0]=4 4305 B9R0.2 CCCNCCCC(C)O 6371182df2267961651c217c5a9d8ec2 [0,2,0,0,0,0|1,0,0]=3 4306 B9R0.2 CCCNCCCN(C)C 565fce1d806476fa729807ee12ce30bc [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.2 CCCNCCCS(=O)C bf3c6efa073e1467345d7cbddc3f20fe [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.2 CCCNCCOC(C)C a36201cd1faa30cc90dfa4534e111392 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.2 CCCNCCSC(C)C a872a112cc2ac280d6e9a6471fc205b7 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.2 CCCOC/C=C/C(C)C d81d713f1cad00b19fa195cb6ef21d6a [0,2,0,0,0,0|1,0,1]=4 4311 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [0,2,0,0,0,0|1,0,1]=4 4312 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [0,2,0,0,0,0|1,0,0]=3 4313 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [0,2,0,0,0,0|1,0,1]=4 4314 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [0,2,0,0,0,0|1,0,1]=4 4315 B9R0.2 CCCOCCCC(C)C c11f5e919ab6207bf876cd919599bef7 [0,2,0,0,0,0|1,0,0]=3 4316 B9R0.2 CCCOCCCN(C)C a5a11dc7f53dac0e7d443525259da51c [0,2,0,0,0,0|1,0,0]=3 4317 B9R0.2 CCCOCCC[N+](=O)[O-] 04dd13287e8e1e4ca4b0686285155fd0 [0,2,0,0,0,0|2,0,0]=4 4318 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [0,2,0,0,0,0|1,0,1]=4 4319 B9R0.2 CCCOCCNC(C)C 7aefc36312fbf4532ce181795209f5a8 [0,2,0,0,0,0|1,0,0]=3 4320 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [0,2,0,0,0,0|1,0,1]=4 4321 B9R0.2 CCCOCCOC(C)C bab68f481c98df0f765c595bef6a5e4a [0,2,0,0,0,0|1,0,0]=3 4322 B9R0.2 CCCOCCOC(F)F c78f44a299a7003b86f36c791ac4f4cb [0,2,0,0,0,0|2,0,0]=4 4323 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [0,2,0,0,0,0|1,0,1]=4 4324 B9R0.2 CCCOCCSC(C)C 0d579bdcea82cf2a4acdb4f347d812d6 [0,2,0,0,0,0|1,0,0]=3 4325 B9R0.2 CCCSCCOC(C)C 8e6bb888e1203bd9af5e8ced33d33d2f [0,2,0,0,0,0|1,1,0]=4 4326 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [0,2,0,0,0,0|1,0,1]=4 4327 B9R0.2 CCNCCCCC(F)F 2dd047592be1958476fa43859c85a716 [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [0,2,0,0,0,0|0,0,1]=3 4329 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [0,2,0,0,0,0|0,1,1]=4 4330 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [0,2,0,0,0,0|1,0,1]=4 4331 B9R0.2 CCOCCCCC(C)C 342635d8f7fe78b6b1c62374e4a1ad34 [0,2,0,0,0,0|2,0,0]=4 4332 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [0,2,0,0,0,0|1,0,1]=4 4333 B9R0.2 CCOCCNCC(C)C ecbbd9a63640a838bd76d766bc10c809 [0,2,0,0,0,0|2,0,0]=4 4334 B9R0.2 CCOCCNCC(C)O 611c0ca058030afcafaa92e361f179d4 [0,2,0,0,0,0|1,0,0]=3 4335 B9R0.2 CCOCCNCC(F)F 30feaf25daf00d93f3f1a2f59e8d4d62 [0,2,0,0,0,0|2,0,0]=4 4336 B9R0.2 CCOCCNC[C@@H](C)O 6d9cab9a552edc18dd5f7603d3564ae0 [0,2,0,0,0,0|1,0,0]=3 4337 B9R0.2 CCOCCNC[C@H](C)O 223aa1e1127120cb9bd81fef9db0a862 [0,2,0,0,0,0|1,0,0]=3 4338 B9R0.2 CCOCCOCC(=O)C f2abab147e228f0c5e3f118094e5ae3e [0,2,0,0,0,0|0,0,2]=4 4339 B9R0.2 CCOCCOCC(=O)N 3ad6244a0d9450d5a5ee70e3e3bc3564 [0,2,0,0,0,0|0,0,2]=4 4340 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [0,2,0,0,0,0|0,0,1]=3 4341 B9R0.2 CCOCCOCC(=S)N 103575ab75fa8d822aa7f597dd049006 [0,2,0,0,0,0|0,1,1]=4 4342 B9R0.2 CCOCCOCC(C)C e9fe4214d9c0fa878f3f673093ba68ea [0,2,0,0,0,0|1,0,0]=3 4343 B9R0.2 CCOCCOCC(C)F 9188fe7932b66f53f61486ed8f2f2f3c [0,2,0,0,0,0|1,0,0]=3 4344 B9R0.2 CCOCCOCC(C)S 0223dcf2cd9d69c451bea5deb117eff2 [0,2,0,0,0,0|0,1,0]=3 4345 B9R0.2 CCOCCOCC(F)F 90dbdd284341ca4379a649e12cc6d1d1 [0,2,0,0,0,0|1,0,0]=3 4346 B9R0.2 CCOCCOCN(C)C be882054dca13592fbfa1c1c3be9b3f2 [0,2,0,0,0,0|2,0,0]=4 4347 B9R0.2 CCOCCOCS(=O)O fb882a20738b84ef6449d6e0c5b98fe6 [0,2,0,0,0,0|1,0,0]=3 4348 B9R0.2 CCOCCOC[C@@H](C)F 5637a0534ee3ff5f9e58db5983881bae [0,2,0,0,0,0|1,0,0]=3 4349 B9R0.2 CCOCCOC[C@H](C)F 1cb0344efe98c854bf3ed1952a27484e [0,2,0,0,0,0|1,0,0]=3 4350 B9R0.2 CCOCCOC[N+](=O)[O-] e62aef0441a3fc8f97d6d061db537a58 [0,2,0,0,0,0|1,0,1]=4 4351 B9R0.2 CCOCCSCC(C)C 1db7fe88d2d1b198894600681527b614 [0,2,0,0,0,0|1,1,0]=4 4352 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [0,2,0,0,0,0|2,0,0]=4 4353 B9R0.2 CCOCNCCC(C)C 9873351f853c3c87377269228f45c34b [0,2,0,0,0,0|2,0,0]=4 4354 B9R0.2 CCOCNCCC(C)O 3138bbeaedff2fa3dde2a5a9e1e37e46 [0,2,0,0,0,0|2,0,0]=4 4355 B9R0.2 CCOCNCCS(=O)O f8f861d97ea8aa233c72f81ebad77555 [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.2 CCOCNCC[C@@H](C)O 0c1a73cdbcd329869c52458b6af4331f [0,2,0,0,0,0|2,0,0]=4 4357 B9R0.2 CCOCNCC[C@H](C)O 003c7a0673a396cd2acd25751a1511c1 [0,2,0,0,0,0|2,0,0]=4 4358 B9R0.2 CCOCOCCC(=O)C 7c05b5d301547a7a379eefc6a013d22c [0,2,0,0,0,0|1,0,1]=4 4359 B9R0.2 CCOCOCCC(=O)N 3d7e10bb5e2a2f79b8dd828c61ceb02d [0,2,0,0,0,0|1,0,1]=4 4360 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [0,2,0,0,0,0|1,0,0]=3 4361 B9R0.2 CCOCOCCC(C)C f454c6a8aefdf374dd25a8036b00280e [0,2,0,0,0,0|1,0,0]=3 4362 B9R0.2 CCOCOCCC(F)F 67c952444489aba3c2b3a4a38ca36cd9 [0,2,0,0,0,0|2,0,0]=4 4363 B9R0.2 CCOCOCCN(C)C de966222b2737106a1751302194d1266 [0,2,0,0,0,0|2,0,0]=4 4364 B9R0.2 CCOCOCCS(=O)C f04de07af9056c7493e646cd0008b732 [0,2,0,0,0,0|1,0,1]=4 4365 B9R0.2 CCOCOCC[N+](=O)[O-] 5ae05fb500bf5821f315ec55599a34e8 [0,2,0,0,0,0|1,0,1]=4 4366 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [0,2,0,0,0,0|1,0,1]=4 4367 B9R0.2 CCSCCNCC(C)C 446c2a5ccc09cd5d359a3cee8be6f12a [0,2,0,0,0,0|2,0,0]=4 4368 B9R0.2 CCSCCNCC(C)O 255c79b1ecfe5100a12c3f45792442aa [0,2,0,0,0,0|1,0,0]=3 4369 B9R0.2 CCSCCNCC(F)F 920b81d87fdb366c6aef3adf6b39b409 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.2 CCSCCNC[C@@H](C)O dce2c609bf5c9629ce4288427c7c1b86 [0,2,0,0,0,0|1,0,0]=3 4371 B9R0.2 CCSCCNC[C@H](C)O 57cfac9b9d430cd163d92566fb0015bb [0,2,0,0,0,0|1,0,0]=3 4372 B9R0.2 CCSCCOCC(=O)C 3e35f56d483cc24657d76c6dcc48c959 [0,2,0,0,0,0|0,0,2]=4 4373 B9R0.2 CCSCCOCC(=O)N 0972d7ab007eadd2c654a3805821636b [0,2,0,0,0,0|0,0,2]=4 4374 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [0,2,0,0,0,0|0,0,1]=3 4375 B9R0.2 CCSCCOCC(=S)N 38236435aacc9403c87c58a73275fb72 [0,2,0,0,0,0|0,1,1]=4 4376 B9R0.2 CCSCCOCC(C)C 9d1b1bb0fe2644527836abcf3662bc41 [0,2,0,0,0,0|1,0,0]=3 4377 B9R0.2 CCSCCOCC(C)F b977a3a2c25895638731077df04d48c4 [0,2,0,0,0,0|1,0,0]=3 4378 B9R0.2 CCSCCOCC(C)S a0ca6800f8fbd295c6c904c02341e69c [0,2,0,0,0,0|0,1,0]=3 4379 B9R0.2 CCSCCOCC(F)F 18e7f2c09b15006082c1c7090db28e62 [0,2,0,0,0,0|1,0,0]=3 4380 B9R0.2 CCSCCOCN(C)C 2a192e11ef14d65a90ab6c279c05b642 [0,2,0,0,0,0|2,0,0]=4 4381 B9R0.2 CCSCCOCS(=O)O e5bd6861eda4deca7d76ab102e54b1cd [0,2,0,0,0,0|1,0,0]=3 4382 B9R0.2 CCSCCOC[C@@H](C)F 92527a43376f51e83291052d8d5c7931 [0,2,0,0,0,0|1,0,0]=3 4383 B9R0.2 CCSCCOC[C@H](C)F 184264c89b3dcd4df63f8b64030bc09b [0,2,0,0,0,0|1,0,0]=3 4384 B9R0.2 CCSCCOC[N+](=O)[O-] 4067a3c579700f15d131efac1237ea82 [0,2,0,0,0,0|1,0,1]=4 4385 B9R0.2 CN(C)CCCCNCO 5c453157c35caf42562f68932887ea7a [0,2,0,0,0,0|2,0,0]=4 4386 B9R0.2 CN(C)CCCNCCBr 781a4f9d9b696765adfe4828f1649505 [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.2 CN(C)CCCNCCF 11636766bb25ecc12c7c720054fda4fd [0,2,0,0,0,0|2,0,0]=4 4388 B9R0.2 CN(C)CCCNCCI 6689432e62c5021ac652752d8f33651f [0,2,0,0,0,0|2,0,0]=4 4389 B9R0.2 CN(C)CCCNCCO 2c161211c87f26a532fdb4cbf797a71d [0,2,0,0,0,0|1,0,0]=3 4390 B9R0.2 CN(C)CCCNCCS 35c6add2a1e7fe159b46c68fd486ee3c [0,2,0,0,0,0|1,1,0]=4 4391 B9R0.2 CN(C)CCCOCC#N 300e5f7121ab0f2c061d2616b5be1727 [0,2,0,0,0,0|1,0,1]=4 4392 B9R0.2 CN(C)CCCOCC=O 832c37008deaf52143ba2beb28b0537b [0,2,0,0,0,0|0,0,2]=4 4393 B9R0.2 CN(C)CCCOCCF a7df49991897dfbb49ed835180fe1088 [0,2,0,0,0,0|1,0,0]=3 4394 B9R0.2 CN(C)CCCOCCS 3af92dda4b9e2224496578fdef8cfa7a [0,2,0,0,0,0|0,1,0]=3 4395 B9R0.2 CN(C)CCNCCCO 2a4f293a035cd24f44f13c04e579a67b [0,2,0,0,0,0|2,0,0]=4 4396 B9R0.2 CN(C)CCNCCON 5b20cdd624f671d9a626dba5105f7444 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.2 CN(C)CCOCCC#N 9d9ae1089f0b567febc92348a6619c66 [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.2 CN(C)CCOCCC=O 88e57e3491dfa651d80263e6f2c2bd5b [0,2,0,0,0,0|1,0,1]=4 4399 B9R0.2 CN(C)CCOCCCF f595570429aaee01af560f651a899838 [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.2 CN(C)CCOCCCS 5bd31e992404b2c72d057532a8c36ac4 [0,2,0,0,0,0|1,1,0]=4 4401 B9R0.2 CN(C)CNCCCCO 578144c93f8ce06d17d0a26f26e05db9 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.2 CN(C)COCCCCF 4b8a8ddf80b6dba2e0d3a10db8cfd4ef [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.2 CN(C)COCCCCS c413946ba779e48e8eb09e4fe22ce4a0 [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.2 COCCCCNC(C)C 76ef922fd8949c4600bb5547f94255b3 [0,2,0,0,0,0|2,0,0]=4 4405 B9R0.2 COCCCCOC(C)C 2673da365c8df0819dfc7bbaba2b5119 [0,2,0,0,0,0|2,0,0]=4 4406 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [0,2,0,0,0,0|1,0,1]=4 4407 B9R0.2 COCCCNCC(C)C bf566d23980e1ea260c63a591e9b663d [0,2,0,0,0,0|2,0,0]=4 4408 B9R0.2 COCCCNCC(C)O 3fa2a5428f19c5ffc20a47da566fdcc9 [0,2,0,0,0,0|1,0,0]=3 4409 B9R0.2 COCCCNCC(F)F 9931228976b6ae851316c2af0ada9ab0 [0,2,0,0,0,0|2,0,0]=4 4410 B9R0.2 COCCCNC[C@@H](C)O 19ff1dcbdf3c48021f5a90586903a0ef [0,2,0,0,0,0|1,0,0]=3 4411 B9R0.2 COCCCNC[C@H](C)O d9eaf91d3d886af5c13acd54dbb750ef [0,2,0,0,0,0|1,0,0]=3 4412 B9R0.2 COCCCOCC(=O)C b6c57de0e6612bd98a91c89c61f27b6a [0,2,0,0,0,0|0,0,2]=4 4413 B9R0.2 COCCCOCC(=O)N 5aa082b1cc6858ba28beda9b2b4239f2 [0,2,0,0,0,0|0,0,2]=4 4414 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [0,2,0,0,0,0|0,0,1]=3 4415 B9R0.2 COCCCOCC(=S)N b976529c229d76456887f6939753ca43 [0,2,0,0,0,0|0,1,1]=4 4416 B9R0.2 COCCCOCC(C)C 1272a422ddfd10e75e400223356cdd9a [0,2,0,0,0,0|1,0,0]=3 4417 B9R0.2 COCCCOCC(C)F eb6ba4f37920928c32191df79ebe3a6c [0,2,0,0,0,0|1,0,0]=3 4418 B9R0.2 COCCCOCC(C)S 137ee41dd5ea0c704156e5b0c5f62486 [0,2,0,0,0,0|0,1,0]=3 4419 B9R0.2 COCCCOCC(F)F 4a7e1d079a370e1467e3540573866ca8 [0,2,0,0,0,0|1,0,0]=3 4420 B9R0.2 COCCCOCN(C)C 648331bd5702828a9b137d1fb44ead58 [0,2,0,0,0,0|2,0,0]=4 4421 B9R0.2 COCCCOCS(=O)O 30a0c66debfd98ba2944bef18623071e [0,2,0,0,0,0|1,0,0]=3 4422 B9R0.2 COCCCOC[C@@H](C)F 1ec6debb1bdf8a47dd1a791b34971197 [0,2,0,0,0,0|1,0,0]=3 4423 B9R0.2 COCCCOC[C@H](C)F 6e61567e3d77370f5edcd48e58109ce5 [0,2,0,0,0,0|1,0,0]=3 4424 B9R0.2 COCCCOC[N+](=O)[O-] 4c3b8e29bc16ba3712fc93feb872d9e1 [0,2,0,0,0,0|1,0,1]=4 4425 B9R0.2 COCCNCCC(=O)C cc50741b4bcb596f77bf55fe047b2330 [0,2,0,0,0,0|1,0,1]=4 4426 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [0,2,0,0,0,0|2,0,0]=4 4427 B9R0.2 COCCNCCC(C)C 4155c1515ea713609c1b589b2eb003e2 [0,2,0,0,0,0|1,0,0]=3 4428 B9R0.2 COCCNCCC(C)O 5a263a3731f96a2126baacd5857d34eb [0,2,0,0,0,0|1,0,0]=3 4429 B9R0.2 COCCNCCC(F)F 393cf3e3cf78bb7ceba81ebd477fc00f [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.2 COCCNCCN(C)C cb632540d6710fdc638e973a091649de [0,2,0,0,0,0|2,0,0]=4 4431 B9R0.2 COCCNCCS(=O)C e07673a803a60e97b3f99b6405f40904 [0,2,0,0,0,0|2,0,0]=4 4432 B9R0.2 COCCNCCS(=O)O 0633dfd0f3b2fc17d4f5fa9f8817f72d [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.2 COCCNCC[C@@H](C)O f612119892ead8b98da5c14432e134c2 [0,2,0,0,0,0|1,0,0]=3 4434 B9R0.2 COCCNCC[C@H](C)O a9e2983c33d9a1a4326532535161c921 [0,2,0,0,0,0|1,0,0]=3 4435 B9R0.2 COCCNCOC(C)C f8f9bcaf1fde5646eec5b686c063899f [0,2,0,0,0,0|2,0,0]=4 4436 B9R0.2 COCCOC/C=C(/C)\Cl 16a449f5eb4e4ad7289617c090bae652 [0,2,0,0,0,0|0,0,2]=4 4437 B9R0.2 COCCOC/C=C(/C)\I e19d3382f5c114c493499203ef5ddfbe [0,2,0,0,0,0|0,0,2]=4 4438 B9R0.2 COCCOC/C=C(\C)/Cl d0d5c8f8144650e50a209f33f23cec74 [0,2,0,0,0,0|0,0,2]=4 4439 B9R0.2 COCCOCC=C(C)C f9135d3a4ef3aa98a8217fd5232846df [0,2,0,0,0,0|0,0,2]=4 4440 B9R0.2 COCCOCC=C(C)Cl 2936911b08cddbd699bd98976e19e728 [0,2,0,0,0,0|0,0,2]=4 4441 B9R0.2 COCCOCC=C(C)I 54f88a2677bcd42cb73bb644c645098e [0,2,0,0,0,0|0,0,2]=4 4442 B9R0.2 COCCOCCC(=O)C 42b719221818bf1f4cbfe81de3e7676a [0,2,0,0,0,0|0,0,1]=3 4443 B9R0.2 COCCOCCC(=O)N b528d747387ce99b70a79f06142776d7 [0,2,0,0,0,0|1,0,1]=4 4444 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [0,2,0,0,0,0|1,0,0]=3 4445 B9R0.2 COCCOCCC(C)C c37823bd4133695864346194e978635d [0,2,0,0,0,0|0,0,0]=2 4446 B9R0.2 COCCOCCC(F)F 16b6e3ad92ff5bfc99240fdabc217672 [0,2,0,0,0,0|1,0,0]=3 4447 B9R0.2 COCCOCCN(C)C b752482c43e8088686246e63a6b59a80 [0,2,0,0,0,0|1,0,0]=3 4448 B9R0.2 COCCOCCS(=O)C 86bcbfcb08f01b0bfbc64141840f37ac [0,2,0,0,0,0|1,0,0]=3 4449 B9R0.2 COCCOCC[N+](=O)[O-] 8b567efe8f609ac1ae9aa930e20db26f [0,2,0,0,0,0|1,0,1]=4 4450 B9R0.2 COCCOCNC(=O)C 6d3810fe234d43670afe9476c6ccf397 [0,2,0,0,0,0|1,0,1]=4 4451 B9R0.2 COCCOCOC(=O)C 3c0c9969f08b445ef676eb92f534751f [0,2,0,0,0,0|1,0,1]=4 4452 B9R0.2 COCCOCOC(C)C 4d694a6db0f056e220542047e9e2f5b8 [0,2,0,0,0,0|1,0,0]=3 4453 B9R0.2 COCNCCCC(C)C bbbf765fc3f4b35e132dc40fc1ce89d5 [0,2,0,0,0,0|2,0,0]=4 4454 B9R0.2 COCOCCCC(=O)C f43054086d226c36ed78969c345787dd [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.2 COCOCCCC(C)C b6376f7988031ced242015bf9ea6e16c [0,2,0,0,0,0|2,0,0]=4 4456 B9R0.2 COCOCCCN(C)C 531827a5f13be57bcd453a1b7e639669 [0,2,0,0,0,0|2,0,0]=4 4457 B9R0.2 COCOCCOC(C)C c418aaf8263558edb8f5aacd68765aa0 [0,2,0,0,0,0|2,0,0]=4 4458 B9R0.2 COCOCCSC(C)C 0a0af36175a44125d404ef105654562a [0,2,0,0,0,0|2,0,0]=4 4459 B9R0.2 CS(=O)CCCNCCF a7f5f9f6004c775a6d5f7e619c031a1e [0,2,0,0,0,0|2,0,0]=4 4460 B9R0.2 CS(=O)CCCNCCO 475661cce2b0f0a50ea2d5e882b9de0d [0,2,0,0,0,0|1,0,0]=3 4461 B9R0.2 CS(=O)CCCNCCS 17ab50e4687ebdd306981c4446e2983c [0,2,0,0,0,0|1,1,0]=4 4462 B9R0.2 CS(=O)CCNCCCO d14cc530c45b1a203d3d3eb1e9f81a62 [0,2,0,0,0,0|2,0,0]=4 4463 B9R0.2 CS(=O)CCNCCON 96ee706db7301f6099618d6e15bda600 [0,2,0,0,0,0|2,0,0]=4 4464 B9R0.2 CS(=O)CCOCCC#N 8ee3600783de9aff52fd1d96f34b2c56 [0,2,0,0,0,0|2,0,0]=4 4465 B9R0.2 CS(=O)CCOCCC=O 5c0d1f5d345e4dc20ef5fd1dabb56802 [0,2,0,0,0,0|1,0,1]=4 4466 B9R0.2 CS(=O)CCOCCCF b2d20f8c00cb33511ad5dd154685d73b [0,2,0,0,0,0|1,0,1]=4 4467 B9R0.2 CS(=O)CCOCCCS 34f7c62298978ab6289d98144f16f05f [0,2,0,0,0,0|1,0,1]=4 4468 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [0,2,0,0,0,0|1,0,1]=4 4469 B9R0.2 CSCCCNCC(C)C fbc5d0ff33373988a8d1d4c2362d539a [0,2,0,0,0,0|2,0,0]=4 4470 B9R0.2 CSCCCNCC(C)O 70ba937df7d6587395a5fab866fc28ac [0,2,0,0,0,0|1,0,0]=3 4471 B9R0.2 CSCCCNCC(F)F 8955bc7cfcdad6890139ea79b1921480 [0,2,0,0,0,0|2,0,0]=4 4472 B9R0.2 CSCCCNC[C@@H](C)O ec89de1321ce8438e9244c3e8270c36c [0,2,0,0,0,0|1,0,0]=3 4473 B9R0.2 CSCCCNC[C@H](C)O 475d2e539a8bb49c6c6a6ef930e9a225 [0,2,0,0,0,0|1,0,0]=3 4474 B9R0.2 CSCCCOCC(=O)C 5454163a2a07a4d14ee03189c1897a43 [0,2,0,0,0,0|0,0,2]=4 4475 B9R0.2 CSCCCOCC(=O)N 2e0057c06fe69bc4ebfba942e29937f8 [0,2,0,0,0,0|0,0,2]=4 4476 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [0,2,0,0,0,0|0,0,1]=3 4477 B9R0.2 CSCCCOCC(=S)N a2b0801751a8138d1ac189d672136fd8 [0,2,0,0,0,0|0,1,1]=4 4478 B9R0.2 CSCCCOCC(C)C 8b18b043a1967eed5beb35729f9f3032 [0,2,0,0,0,0|1,0,0]=3 4479 B9R0.2 CSCCCOCC(C)F fb8f5661fe5e118443b0b8194d9f5196 [0,2,0,0,0,0|1,0,0]=3 4480 B9R0.2 CSCCCOCC(C)S 52063da032ff25ab2394e2cea976515f [0,2,0,0,0,0|0,1,0]=3 4481 B9R0.2 CSCCCOCC(F)F fe336b835cacf73b4b2d62c9b5e7cbb3 [0,2,0,0,0,0|1,0,0]=3 4482 B9R0.2 CSCCCOCN(C)C d7c517b474222d3097d2093dacc02855 [0,2,0,0,0,0|2,0,0]=4 4483 B9R0.2 CSCCCOCS(=O)O ce4c6dcc5702edc8a1f1476bdf7c2f85 [0,2,0,0,0,0|1,0,0]=3 4484 B9R0.2 CSCCCOC[C@@H](C)F 9a1964d54084a5675ac3cf2784746b35 [0,2,0,0,0,0|1,0,0]=3 4485 B9R0.2 CSCCCOC[C@H](C)F d1e1ea5a268d69ccddfc660114ccd331 [0,2,0,0,0,0|1,0,0]=3 4486 B9R0.2 CSCCCOC[N+](=O)[O-] 641c7f961e8534e86618aea7c2c1cd23 [0,2,0,0,0,0|1,0,1]=4 4487 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [0,2,0,0,0,0|2,0,0]=4 4488 B9R0.2 CSCCNCCC(C)C cf166809875f8d45beee49bb4be24b4d [0,2,0,0,0,0|1,1,0]=4 4489 B9R0.2 CSCCNCCC(C)O 4a4c316f91a0372beec10a189d68dd5b [0,2,0,0,0,0|1,1,0]=4 4490 B9R0.2 CSCCNCCS(=O)O 99197a60045cf31ddb8e82dcbb474020 [0,2,0,0,0,0|2,0,0]=4 4491 B9R0.2 CSCCNCC[C@@H](C)O 7a799516c179e00cbc9167de39b00a4c [0,2,0,0,0,0|1,1,0]=4 4492 B9R0.2 CSCCNCC[C@H](C)O 186d378f131bc2cabd51a436e26a9ce8 [0,2,0,0,0,0|1,1,0]=4 4493 B9R0.2 CSCCOCCC(=O)C b7c06c5f50bd774c354bac5b4a853359 [0,2,0,0,0,0|0,1,1]=4 4494 B9R0.2 CSCCOCCC(=O)N 260135039720ecae997fb6d7d7eeb00c [0,2,0,0,0,0|1,0,1]=4 4495 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [0,2,0,0,0,0|1,0,0]=3 4496 B9R0.2 CSCCOCCC(C)C b19dbbca3d7d14ce50c61b7cd3faaa35 [0,2,0,0,0,0|0,1,0]=3 4497 B9R0.2 CSCCOCCC(F)F fab996804f0a92d60a3f4918b8916c86 [0,2,0,0,0,0|1,1,0]=4 4498 B9R0.2 CSCCOCCN(C)C 969ed6821457fe6bfffdb86e444e4022 [0,2,0,0,0,0|1,1,0]=4 4499 B9R0.2 CSCCOCCS(=O)C 523f86987ced443a666b87f6e3cb1410 [0,2,0,0,0,0|1,0,1]=4 4500 B9R0.2 CSCCOCC[N+](=O)[O-] 6545d6e413c2362a50d9798704247e49 [0,2,0,0,0,0|1,0,1]=4 4501 B9R0.2 CSCCOCOC(C)C b39e85898cd110593f95136e4452c100 [0,2,0,0,0,0|1,1,0]=4 4502 B9R0.2 CSCOCCCC(=O)C 37d7fc5efc38029b2c30ac3a6898185c [0,2,0,0,0,0|2,0,0]=4 4503 B9R0.2 CSCOCCCC(C)C ed6187b45ed6496b8f876fb1e5cbbc93 [0,2,0,0,0,0|2,0,0]=4 4504 B9R0.2 CSCOCCCN(C)C 67e9e6675f38b9fefe2dc2717be11618 [0,2,0,0,0,0|2,0,0]=4 4505 B9R0.2 CSCOCCOC(C)C cc5e52361a7cced05418082823d77680 [0,2,0,0,0,0|2,0,0]=4 4506 B9R0.2 CSCOCCSC(C)C 7e447793a37715fe5447f3116a31b375 [0,2,0,0,0,0|2,0,0]=4 4507 B9R0.2 C[C@@H](F)COCCCC#N 65371c8ec7247b929d471325130b4e72 [0,2,0,0,0,0|1,0,1]=4 4508 B9R0.2 C[C@@H](F)COCCCC=O 15ec93434fa37469dace6cc0d307b1c7 [0,2,0,0,0,0|1,0,1]=4 4509 B9R0.2 C[C@@H](F)COCCCCF f8def687c98c5c6df6975b0770735a53 [0,2,0,0,0,0|1,0,0]=3 4510 B9R0.2 C[C@@H](O)CCNC/C=C\O 224feb9514dcfb4508c387f785d6793e [0,2,0,0,0,0|1,0,1]=4 4511 B9R0.2 C[C@@H](O)CCNCCC#N 7dbc3fc957c8975e017c1c117842f120 [0,2,0,0,0,0|2,0,0]=4 4512 B9R0.2 C[C@@H](O)CCNCCC=O 6661f70d05883b3717e63de7ccf03505 [0,2,0,0,0,0|1,0,1]=4 4513 B9R0.2 C[C@@H](O)CCNCCCF 521c04738e2931c8a66f22d645802491 [0,2,0,0,0,0|2,0,0]=4 4514 B9R0.2 C[C@@H](O)CCNCCCO 879875d53905068a86ee9621ae8c2b21 [0,2,0,0,0,0|1,0,0]=3 4515 B9R0.2 C[C@@H](O)CCNCCCS ebf487901d26eddea2cf7ce80728d7f7 [0,2,0,0,0,0|1,1,0]=4 4516 B9R0.2 C[C@@H](O)CNCC#CCO f2fe3510e5427ac3a4534b90d70d60cc [0,2,0,0,0,0|1,0,1]=4 4517 B9R0.2 C[C@@H](O)CNCCCC#N 836500385a1820216b56d2c697a712f1 [0,2,0,0,0,0|1,0,1]=4 4518 B9R0.2 C[C@@H](O)CNCCCC=O 6e8902a63b22adf010822e70d20b9de4 [0,2,0,0,0,0|1,0,1]=4 4519 B9R0.2 C[C@@H](O)CNCCCCCl 491b5c1622254008509a4ba8e9ab1cd6 [0,2,0,0,0,0|1,0,0]=3 4520 B9R0.2 C[C@@H](O)CNCCCCF fe799b76acda16431cb6fa5d25600b49 [0,2,0,0,0,0|1,0,0]=3 4521 B9R0.2 C[C@@H](O)CNCCCCO fa414208f6ad4c98dcfebb658b545113 [0,2,0,0,0,0|1,0,0]=3 4522 B9R0.2 C[C@@H](O)CNCCCCS 84fb62362fb54da5594d3cc03c2130c9 [0,2,0,0,0,0|1,0,0]=3 4523 B9R0.2 C[C@H](F)COCCCC#N e4c83abb71772f7d5f30c0eb48190a67 [0,2,0,0,0,0|1,0,1]=4 4524 B9R0.2 C[C@H](F)COCCCC=O cd3cf6e1ccde2460618b3cd07e9f0c33 [0,2,0,0,0,0|1,0,1]=4 4525 B9R0.2 C[C@H](F)COCCCCF 35f93a703ac968545927846cf35ea3d3 [0,2,0,0,0,0|1,0,0]=3 4526 B9R0.2 C[C@H](O)CCNC/C=C\O 96a4878c5f3ab193556c31163aa18cdb [0,2,0,0,0,0|1,0,1]=4 4527 B9R0.2 C[C@H](O)CCNCCC#N c28cc06afb7efe5bf83b829329b50850 [0,2,0,0,0,0|2,0,0]=4 4528 B9R0.2 C[C@H](O)CCNCCC=O 3db470150683485e06f6af186a125748 [0,2,0,0,0,0|1,0,1]=4 4529 B9R0.2 C[C@H](O)CCNCCCF d124f436f6525e8f868f951a59d90c84 [0,2,0,0,0,0|2,0,0]=4 4530 B9R0.2 C[C@H](O)CCNCCCO a698db67babc45413efb0087ad25aad2 [0,2,0,0,0,0|1,0,0]=3 4531 B9R0.2 C[C@H](O)CCNCCCS 35694b8a490fc55e24732d5b3a080a19 [0,2,0,0,0,0|1,1,0]=4 4532 B9R0.2 C[C@H](O)CNCC#CCO 2692ceba2d939aa0062cfc42a8ee09a5 [0,2,0,0,0,0|1,0,1]=4 4533 B9R0.2 C[C@H](O)CNCCCC#N 8030da445d7f22e1117f35c9b7c25ea7 [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.2 C[C@H](O)CNCCCC=O 97a2309139eba09278aa90c3d2821b80 [0,2,0,0,0,0|1,0,1]=4 4535 B9R0.2 C[C@H](O)CNCCCCCl 10f974d9cf94c158b1c6d32ae2032c20 [0,2,0,0,0,0|1,0,0]=3 4536 B9R0.2 C[C@H](O)CNCCCCF bcc3069b5de5f2b89ea30d65e6f3b680 [0,2,0,0,0,0|1,0,0]=3 4537 B9R0.2 C[C@H](O)CNCCCCO a15a5bb9bd70a0ca5b76d0de8e96df0c [0,2,0,0,0,0|1,0,0]=3 4538 B9R0.2 C[C@H](O)CNCCCCS 57a34e18d1e9185556f58eb4a371705c [0,2,0,0,0,0|1,0,0]=3 4539 B9R0.2 FC(F)CCOCCCS a20a18bc9902593c5119434f2702edb1 [0,2,0,0,0,0|1,1,0]=4 4540 B9R0.2 FC(F)CNCCCCCl bbe5dcf1a48ab41a9db7958bc2faabf1 [0,2,0,0,0,0|2,0,0]=4 4541 B9R0.2 FC(F)CNCCCCS f7fba9f031f3f8b36a268242918b04d9 [0,2,0,0,0,0|2,0,0]=4 4542 B9R0.2 FC(F)COCCCCS 3c0a2db65a8b7696b82c1b28e9e6ba39 [0,2,0,0,0,0|1,0,0]=3 4543 B9R0.2 FC(F)OCCOCCS 0506307a87ee527a66e1d8e2e002e0a1 [0,2,0,0,0,0|1,1,0]=4 4544 B9R0.2 FCCCCNCC(F)F 6b40e1e15c060a19d3cf0f21acc1cdf8 [0,2,0,0,0,0|2,0,0]=4 4545 B9R0.2 FCCCCOCC(F)F 9aef545517c67cfea5552d34a1e61b19 [0,2,0,0,0,0|1,0,0]=3 4546 B9R0.2 FCCCOCCC(F)F cfbf1d0cb86f4c82356c5105a3b2c436 [0,2,0,0,0,0|2,0,0]=4 4547 B9R0.2 FCCOCCOC(F)F dc6661d9b550d16578cc45b097f905ce [0,2,0,0,0,0|2,0,0]=4 4548 B9R0.2 FCOCCOCC(F)F 4278fe7656d05712ed722f8961c913da [0,2,0,0,0,0|2,0,0]=4 4549 B9R0.2 N#CCCCOCC(=O)O 45398b7196d099d83805223b6a8c644f [0,2,0,0,0,0|0,0,2]=4 4550 B9R0.2 N#CCCCOCC(F)F 491b3d33e55801fd223267b94b5dcbde [0,2,0,0,0,0|1,0,1]=4 4551 B9R0.2 N#CCCCOCS(=O)O 49be9478e93923d14afcf867661ff067 [0,2,0,0,0,0|1,0,1]=4 4552 B9R0.2 N#CCCOCCC(=O)O d6c21a81de880815349a7606c778d8cd [0,2,0,0,0,0|1,0,1]=4 4553 B9R0.2 N#CCCOCCC(F)F cb707d2e31f5502ad4acc67c983c4f44 [0,2,0,0,0,0|2,0,0]=4 4554 B9R0.2 NC(=O)CCCNCCO b82c97f586c37f6864f17e6a0759093e [0,2,0,0,0,0|1,0,1]=4 4555 B9R0.2 NC(=O)CCCOCCF bed05ecccde6fc2e5c6ab1fb3d493a56 [0,2,0,0,0,0|1,0,1]=4 4556 B9R0.2 NC(=O)CCCOCCS 52144b28c666090309e74c56c2a6cead [0,2,0,0,0,0|0,1,1]=4 4557 B9R0.2 NC(=O)CCOCCCF 78700fed2a3a54da0b4cefaac5cc6c00 [0,2,0,0,0,0|1,0,1]=4 4558 B9R0.2 NC(=O)CCOCCCS 6cc247be50b065fba7a87c9d06bbeeb0 [0,2,0,0,0,0|1,0,1]=4 4559 B9R0.2 NC(=O)COCCCCF 14dff0e8e926e633d931e978e32c3d09 [0,2,0,0,0,0|0,0,2]=4 4560 B9R0.2 NC(=O)COCCCCS 287c58cd717f129e5b7b2b33f356b434 [0,2,0,0,0,0|0,0,2]=4 4561 B9R0.2 NC(=S)COCCCCF 7ba045ff5e578e6979af6ed388990604 [0,2,0,0,0,0|0,1,1]=4 4562 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [0,2,0,0,0,0|1,0,1]=4 4563 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [0,2,0,0,0,0|0,1,1]=4 4564 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [0,2,0,0,0,0|2,0,0]=4 4565 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [0,2,0,0,0,0|2,0,0]=4 4566 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [0,2,0,0,0,0|2,0,0]=4 4567 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [0,2,0,0,0,0|2,0,0]=4 4568 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [0,2,0,0,0,0|1,0,0]=3 4569 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [0,2,0,0,0,0|1,0,0]=3 4570 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [0,2,0,0,0,0|1,0,1]=4 4571 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [0,2,0,0,0,0|1,0,1]=4 4572 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [0,2,0,0,0,0|1,0,1]=4 4573 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [0,2,0,0,0,0|1,0,1]=4 4574 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [0,2,0,0,0,0|0,0,1]=3 4575 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [0,2,0,0,0,0|0,0,1]=3 4576 B9R0.2 O=C(O)COCCNCF 902de3e0c3be70f497e3e8e70e7c0f34 [0,2,0,0,0,0|1,0,1]=4 4577 B9R0.2 O=C(O)COCCNCO 4781d798b4b2130de47b72b21dee42b8 [0,2,0,0,0,0|1,0,1]=4 4578 B9R0.2 O=C(O)COCCOCF 0f4018af36089db8a76afc74213c9dbd [0,2,0,0,0,0|1,0,1]=4 4579 B9R0.2 O=CCCCOCC(=O)O b0cdc41918441c731c2718b00d81dcd2 [0,2,0,0,0,0|0,0,2]=4 4580 B9R0.2 O=CCCCOCC(F)F 9ee9e1fb98b8c2e6b20bf68d4a2c5074 [0,2,0,0,0,0|1,0,1]=4 4581 B9R0.2 O=CCCCOCS(=O)O 1dcdf7c86a879bcb167a68d25aac0ae8 [0,2,0,0,0,0|1,0,1]=4 4582 B9R0.2 O=CCCOCCC(=O)O c361370d412c815155a03ec5c084d013 [0,2,0,0,0,0|1,0,1]=4 4583 B9R0.2 O=CCCOCCC(F)F b4a057f697a98e5f3cec0dff7479867c [0,2,0,0,0,0|1,0,1]=4 4584 B9R0.2 O=S(O)CCNCCCF 0577de8adf853e021288f6381be8d968 [0,2,0,0,0,0|2,0,0]=4 4585 B9R0.2 O=S(O)CCNCCCO b80775135ee13215474068b2db2ca5f5 [0,2,0,0,0,0|2,0,0]=4 4586 B9R0.2 O=S(O)CCNCCCS fac970679249a41c630115703fcdd583 [0,2,0,0,0,0|2,0,0]=4 4587 B9R0.2 O=S(O)COCCCCF 87791b3ea13bba76918751e06f5547fc [0,2,0,0,0,0|1,0,0]=3 4588 B9R0.2 O=[N+]([O-])CCCNCCO 90f7f1659f973a0f0c96081c2531565c [0,2,0,0,0,0|2,0,0]=4 4589 B9R0.2 O=[N+]([O-])CCCOCCF 62b985c0a336b3da1fccbd61f9e0c129 [0,2,0,0,0,0|2,0,0]=4 4590 B9R0.2 O=[N+]([O-])CCCOCCS 25f467362081a8714aa87462895c6ca2 [0,2,0,0,0,0|1,1,0]=4 4591 B9R0.2 O=[N+]([O-])CCOCCCF 7f1d2dd6dac2fc4741d02c0c8c1f0cc2 [0,2,0,0,0,0|1,0,1]=4 4592 B9R0.2 O=[N+]([O-])CCOCCCS ec5a51751798205dbe11e69c7a70e2da [0,2,0,0,0,0|1,0,1]=4 4593 B9R0.2 O=[N+]([O-])COCCCCF 83dc5c762a6de902172ff9280deee049 [0,2,0,0,0,0|1,0,1]=4 4594 B9R0.2 O=[N+]([O-])COCCCCS 4943a5e360ef82844e727f1f756fbb9d [0,2,0,0,0,0|1,0,1]=4 4595 B9R0.2 OCCCCNCC(F)F 8f507c8d8f140fe6d88e4ea8b9233308 [0,2,0,0,0,0|2,0,0]=4 4596 B9R0.2 OCCCNCCC(F)F 002f8285491361720cd366578ace5440 [0,2,0,0,0,0|2,0,0]=4 4597 B9R0.2 OCCNCCOC(F)F 3121da86b0345785edbbff8b7d247da8 [0,2,0,0,0,0|2,0,0]=4 4598 B9R0.2 OCNCCCCC(F)F 061ee4b380b11d561ad7ddad84a002a9 [0,2,0,0,0,0|2,0,0]=4 4599 B9R0.45 C#CCCCCCNCC 14ea92e09ae5d59f435532a2fedd7cb8 [0,2,0,0,0,0|2,0,0]=4 4600 B9R0.45 C#CCCCCCNCO cf6bb6b74bc7cbc903e0c5edbe49e5e1 [0,2,0,0,0,0|1,0,1]=4 4601 B9R0.45 C#CCCCCCOCC 76da78402f2580ea24a7954fbf49c65e [0,2,0,0,0,0|2,0,0]=4 4602 B9R0.45 C#CCCCCNCCBr e95e74757ef79cd4747ad430ebec06a8 [0,2,0,0,0,0|2,0,0]=4 4603 B9R0.45 C#CCCCCNCCC 720f4ace558aca91e3140192969837a4 [0,2,0,0,0,0|2,0,0]=4 4604 B9R0.45 C#CCCCCNCCF 6ed69b0912faad9d59aa7553e88757a1 [0,2,0,0,0,0|2,0,0]=4 4605 B9R0.45 C#CCCCCNCCI 0229fe939fbbe8aa8ac9ed97e35b175a [0,2,0,0,0,0|2,0,0]=4 4606 B9R0.45 C#CCCCCNCCO 1f4e5e7079624fbd8490dae3550d4176 [0,2,0,0,0,0|1,0,0]=3 4607 B9R0.45 C#CCCCCNCCS 5988173ee90cfa4b7c5efacdd25e7518 [0,2,0,0,0,0|1,1,0]=4 4608 B9R0.45 C#CCCCCOCC#C e49ecedf3ac1b7975ea7db868ff1e4bf [0,2,0,0,0,0|1,0,1]=4 4609 B9R0.45 C#CCCCCOCC#N 20d06ecefe2548249db2d524c2f8056f [0,2,0,0,0,0|1,0,1]=4 4610 B9R0.45 C#CCCCCOCC=C f78317bf767ec5caf80d65406e67b65a [0,2,0,0,0,0|1,0,1]=4 4611 B9R0.45 C#CCCCCOCC=O 7374e2bc75ec57e5871816f717aa486e [0,2,0,0,0,0|0,0,2]=4 4612 B9R0.45 C#CCCCCOCCC 88be43598906413b514321fe6489b41b [0,2,0,0,0,0|1,0,0]=3 4613 B9R0.45 C#CCCCCOCCF ee0ee41c27b6c0dcee4b4cfd324e738b [0,2,0,0,0,0|1,0,0]=3 4614 B9R0.45 C#CCCCCOCCS d91a165119a0c2f198d6cc123d2605f0 [0,2,0,0,0,0|0,1,0]=3 4615 B9R0.45 C#CCCCCOCOC 5d3c72fd1b8b20b83f22324b05d2e3df [0,2,0,0,0,0|2,0,0]=4 4616 B9R0.45 C#CCCCCOCSC 7a56ff5d2c27a727eb72615953cc492b [0,2,0,0,0,0|2,0,0]=4 4617 B9R0.45 C#CCCCNCCCC 28864ce458b4f28b4cea859a70886cf4 [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.45 C#CCCCNCCCO b300a29970529c1412a12ea9d482593c [0,2,0,0,0,0|1,0,1]=4 4619 B9R0.45 C#CCCCNCCOC 79998fe8a7bd7eb560d6ca9393699cc9 [0,2,0,0,0,0|1,0,1]=4 4620 B9R0.45 C#CCCCNCCON 8504a817d1a0278c7ed3d1001351731e [0,2,0,0,0,0|1,0,1]=4 4621 B9R0.45 C#CCCCOCCC#C 8004c4009edaa4e0f81cc2605452d227 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.45 C#CCCCOCCC#N 27cadbeda67e1b02c5d0847b578d90ba [0,2,0,0,0,0|1,0,1]=4 4623 B9R0.45 C#CCCCOCCC=C b4c78990c18b500a93361a7d17bf66ad [0,2,0,0,0,0|1,0,1]=4 4624 B9R0.45 C#CCCCOCCC=O 6b7d5bb471ddee763f561d365417d401 [0,2,0,0,0,0|0,0,2]=4 4625 B9R0.45 C#CCCCOCCCC 455b20947599c42b63a460c5f97b230b [0,2,0,0,0,0|1,0,0]=3 4626 B9R0.45 C#CCCCOCCCF d6c8b728729dbe18437fb9087e24d074 [0,2,0,0,0,0|1,0,1]=4 4627 B9R0.45 C#CCCCOCCCS 94a677b43a937e2486a406e22f761b20 [0,2,0,0,0,0|0,1,1]=4 4628 B9R0.45 C#CCCCOCCOC 7c80e59c29f8480f2589b30b961227a4 [0,2,0,0,0,0|0,0,1]=3 4629 B9R0.45 C#CCCCOCCSC 8b9a0cc0f155bf0188de34dcab72a447 [0,2,0,0,0,0|0,1,1]=4 4630 B9R0.45 C#CCCCOCOCC e2d7c6e3645ec68305dd6558ba327af3 [0,2,0,0,0,0|1,0,1]=4 4631 B9R0.45 C#CCCNCCCCC 0b0b4c4dc2ba9dc503e534c3f7a4e896 [0,2,0,0,0,0|2,0,0]=4 4632 B9R0.45 C#CCCNCCCCCl 3bed7bfda5cf48df17abfcef282eb3cd [0,2,0,0,0,0|2,0,0]=4 4633 B9R0.45 C#CCCNCCCCF 7dbc96191953bf8f9693b18152cb2041 [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.45 C#CCCNCCCCO f78936dcf0a298364ad55dd3663d7138 [0,2,0,0,0,0|1,0,1]=4 4635 B9R0.45 C#CCCNCCCCS ad1c7f2bb7e5244df1536877ee2ce730 [0,2,0,0,0,0|2,0,0]=4 4636 B9R0.45 C#CCCNCCCOC 367955759b37f74a287b077c41c9ccc4 [0,2,0,0,0,0|2,0,0]=4 4637 B9R0.45 C#CCCNCCCSC 780c556e3598594540576f7056bf5b6e [0,2,0,0,0,0|2,0,0]=4 4638 B9R0.45 C#CCCNCCOCC e88cecf3b4c0f7947061c179ed5fbdcf [0,2,0,0,0,0|2,0,0]=4 4639 B9R0.45 C#CCCNCCSCC b5a413cc65f3b0fbba992e706c23e5ab [0,2,0,0,0,0|2,0,0]=4 4640 B9R0.45 C#CCCOC/C=C/CC df743559e7adc136ab1b3ff4151f6490 [0,2,0,0,0,0|1,0,1]=4 4641 B9R0.45 C#CCCOC/C=C\CC 20b258e3fbd1a6ca4442bc10aaabb856 [0,2,0,0,0,0|1,0,1]=4 4642 B9R0.45 C#CCCOCC#CCC 8a35c85de9d084130bade8ea8cea6938 [0,2,0,0,0,0|1,0,1]=4 4643 B9R0.45 C#CCCOCC/C=C/C 12201d7866a38ade98f3c30521eb43a1 [0,2,0,0,0,0|1,0,1]=4 4644 B9R0.45 C#CCCOCCC#CC b89e766b9edf20e60e9d2ef704f79272 [0,2,0,0,0,0|1,0,1]=4 4645 B9R0.45 C#CCCOCCCC#N fce0378db871ca7bf602fec9d35c37d9 [0,2,0,0,0,0|1,0,1]=4 4646 B9R0.45 C#CCCOCCCC=C 08997647697bb89e360e07d63fc814b8 [0,2,0,0,0,0|1,0,1]=4 4647 B9R0.45 C#CCCOCCCC=O a9c0773ccdd8f76a801b34d952a72ab6 [0,2,0,0,0,0|1,0,1]=4 4648 B9R0.45 C#CCCOCCCCC 0b844e7d38a15bf2cf13b79058ea6790 [0,2,0,0,0,0|1,0,0]=3 4649 B9R0.45 C#CCCOCCCCF cd5f57c81d1d8e0ad6cff9acd8dbabc6 [0,2,0,0,0,0|1,0,0]=3 4650 B9R0.45 C#CCCOCCCCS 838cd7e1f68460eb961545bedb5e1436 [0,2,0,0,0,0|1,0,0]=3 4651 B9R0.45 C#CCCOCCCOC 9417d9548988a4899509fc10e916da5e [0,2,0,0,0,0|1,0,0]=3 4652 B9R0.45 C#CCCOCCCSC 3b716fc623c2d640413988b229b18b88 [0,2,0,0,0,0|1,0,0]=3 4653 B9R0.45 C#CCCOCCOC=C 525dcfd68c8c29cd434720c88fdc38aa [0,2,0,0,0,0|0,0,2]=4 4654 B9R0.45 C#CCCOCCOC=O 83211b3a9a2875ee4d94d6c4e4081a42 [0,2,0,0,0,0|0,0,2]=4 4655 B9R0.45 C#CCCOCCOCC 82a7e1612bfbd4337eee757e02dec23e [0,2,0,0,0,0|1,0,0]=3 4656 B9R0.45 C#CCCOCCSCC 42d4ab38ce901a35ffca3412e1318fd4 [0,2,0,0,0,0|1,0,0]=3 4657 B9R0.45 C#CCNCCCCCC cb41f91861b4ad09b2fdb148c3b6a6cd [0,2,0,0,0,0|2,0,0]=4 4658 B9R0.45 C#CCNCCCCCO 2a6580b4fc90a7ba2fafe84f59960589 [0,2,0,0,0,0|1,0,1]=4 4659 B9R0.45 C#CCNCCOCCC bc7a3d36f27afb3c5ae0db0267d221d9 [0,2,0,0,0,0|1,0,1]=4 4660 B9R0.45 C#CCNCCOCCO 2dd141cb4dec037d6ab14d569f3414a6 [0,2,0,0,0,0|0,0,1]=3 4661 B9R0.45 C#CCNCCOCCS 3f0aae7d1e79e3ee1b96388da38cb9f9 [0,2,0,0,0,0|0,1,1]=4 4662 B9R0.45 C#CCNCCSCCO c8d5b3f50ca11ceba073557d2dc922e7 [0,2,0,0,0,0|0,1,1]=4 4663 B9R0.45 C#CCNCOCCCC 3321f44621206628902b2a732cd2182a [0,2,0,0,0,0|1,0,0]=3 4664 B9R0.45 C#CCNCOCCOC bb721b3e10bc2fd3bb925ec8a29c2e14 [0,2,0,0,0,0|0,0,2]=4 4665 B9R0.45 C#CCOC/C=C/CCC 8d094a7c1379ef4c9595dc248eb47eb8 [0,2,0,0,0,0|1,0,1]=4 4666 B9R0.45 C#CCOC/C=C\CCC c07a4175788f46653fa3c3036fb205f9 [0,2,0,0,0,0|1,0,1]=4 4667 B9R0.45 C#CCOCC#CCCC 870aad64b6785bea0b63de2d705564a7 [0,2,0,0,0,0|1,0,1]=4 4668 B9R0.45 C#CCOCC/C=C/CC c23b6ff3165e2c405d442da9650e031e [0,2,0,0,0,0|1,0,1]=4 4669 B9R0.45 C#CCOCC/C=C\CC 37b0a4e3a365db5d411110af84c79eb0 [0,2,0,0,0,0|1,0,1]=4 4670 B9R0.45 C#CCOCCC#CCC 71e14a17ed9c904d1aafd5be0eb0578c [0,2,0,0,0,0|1,0,1]=4 4671 B9R0.45 C#CCOCCC/C=C/C a631f1b07a36116e42a1a2cc70c6763e [0,2,0,0,0,0|1,0,1]=4 4672 B9R0.45 C#CCOCCC/C=C\C 20a71a282013067d2b621a0df50ddfb3 [0,2,0,0,0,0|1,0,1]=4 4673 B9R0.45 C#CCOCCCC#CC 0812b74e38b8aa1eac541da39bda6ad2 [0,2,0,0,0,0|1,0,1]=4 4674 B9R0.45 C#CCOCCCC=CC 9116b337a68073cc78b317be50ed890b [0,2,0,0,0,0|1,0,1]=4 4675 B9R0.45 C#CCOCCCCC#N dba89f80d4c287d3ccffdc0bc45ce5bd [0,2,0,0,0,0|1,0,1]=4 4676 B9R0.45 C#CCOCCCCC=C d7e37c4ec02bf6ecc0ffb73fd3089995 [0,2,0,0,0,0|1,0,1]=4 4677 B9R0.45 C#CCOCCCCC=O f7ac2e6bf97c3a62b974c9b5c6d64ab1 [0,2,0,0,0,0|1,0,1]=4 4678 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [0,2,0,0,0,0|1,0,1]=4 4679 B9R0.45 C#CCOCCCCCF 89a235dac8510b9a4524801f92bc84c3 [0,2,0,0,0,0|1,0,1]=4 4680 B9R0.45 C#CCOCCCCOC 3f1fd5101e004d910ffdf4931a8328f7 [0,2,0,0,0,0|1,0,1]=4 4681 B9R0.45 C#CCOCCCCSC 225a843462dc3e1a46bff372c37a9074 [0,2,0,0,0,0|1,0,1]=4 4682 B9R0.45 C#CCOCCCOCC 20abaa5099e0315604e9a72aa50b5bb7 [0,2,0,0,0,0|1,0,1]=4 4683 B9R0.45 C#CCOCCCOCF 234e3c8267320ab19cba75cfdefacaa2 [0,2,0,0,0,0|1,0,1]=4 4684 B9R0.45 C#CCOCCCSCC 9a4b152668efbd1d04b18d9eb8823cea [0,2,0,0,0,0|1,0,1]=4 4685 B9R0.45 C#CCOCCNCCBr a06ba5f5dca26ff6545033687a4dc8ac [0,2,0,0,0,0|1,0,1]=4 4686 B9R0.45 C#CCOCCNCCC 06506c6b1af9254687ec6af1a4593faa [0,2,0,0,0,0|1,0,1]=4 4687 B9R0.45 C#CCOCCNCCF e97c6c13d5d8e0f7436ed39e17d838d1 [0,2,0,0,0,0|1,0,1]=4 4688 B9R0.45 C#CCOCCNCCI 6a206e611b83287e71c9223a5293997a [0,2,0,0,0,0|1,0,1]=4 4689 B9R0.45 C#CCOCCNCCO d7991db2d45d9ee7b90c47d1e49b9c79 [0,2,0,0,0,0|1,0,1]=4 4690 B9R0.45 C#CCOCCNCCS 2ee41d8efce45c3fbc7e2c5f598e0d91 [0,2,0,0,0,0|1,0,1]=4 4691 B9R0.45 C#CCOCCNCOC eb8f09962ec9f4c29062ce931c27711d [0,2,0,0,0,0|1,0,1]=4 4692 B9R0.45 C#CCOCCNCSC 5642e4b0e4218f51e18fd0a1e1eeb80d [0,2,0,0,0,0|1,0,1]=4 4693 B9R0.45 C#CCOCCOCCC 496f142be4d2894c4541dfd0811f40b6 [0,2,0,0,0,0|1,0,1]=4 4694 B9R0.45 C#CCOCCOCCF 37334cc805812676c0133833a6b2d8bf [0,2,0,0,0,0|1,0,1]=4 4695 B9R0.45 C#CCOCCOCCS 7c9712f15586b26cb464735be9cab039 [0,2,0,0,0,0|0,1,1]=4 4696 B9R0.45 C#CCOCCOCOC f7a7e4a4f2fe161bd6267a4327dea8e5 [0,2,0,0,0,0|1,0,1]=4 4697 B9R0.45 C#CCOCCOCSC 051df43deb9da0d06439c51dd0e91524 [0,2,0,0,0,0|1,0,1]=4 4698 B9R0.45 C#CCOCCSCCC ec9817d29f03b1878d231c67e8c0cef8 [0,2,0,0,0,0|1,0,1]=4 4699 B9R0.45 C#CCOCOCCCC 411dd2e894d38798469501e5830892f8 [0,2,0,0,0,0|1,0,0]=3 4700 B9R0.45 C#CCOCOCCOC 876976d22bbe2d8ae907a01b78736ceb [0,2,0,0,0,0|0,0,2]=4 4701 B9R0.45 C/C=C/CCCOCC#N 508f9a207d16e96fd15be13ce89a57f5 [0,2,0,0,0,0|1,0,1]=4 4702 B9R0.45 C/C=C/CCCOCC=O 1133dd39557966bbfc717550ad829422 [0,2,0,0,0,0|0,0,2]=4 4703 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [0,2,0,0,0,0|1,0,0]=3 4704 B9R0.45 C/C=C/CCCOCCF 293ffe77bb7c228da611fda284865d10 [0,2,0,0,0,0|1,0,0]=3 4705 B9R0.45 C/C=C/CCCOCCS 654ac8eb3a7ab4b78da1a3f3cf78efd7 [0,2,0,0,0,0|0,1,0]=3 4706 B9R0.45 C/C=C/CCCOCOC 1b054da1ebce7deeeff76f4b97613b27 [0,2,0,0,0,0|2,0,0]=4 4707 B9R0.45 C/C=C/CCCOCSC db1d7c1677d94ff35c368616b2e8cdba [0,2,0,0,0,0|2,0,0]=4 4708 B9R0.45 C/C=C/CCOCCC#N 6196df1441d6c62cc0033b89d0a7f075 [0,2,0,0,0,0|1,0,1]=4 4709 B9R0.45 C/C=C/CCOCCC=O c4c6e811a3e16a2c2124752f9d8b1849 [0,2,0,0,0,0|0,0,2]=4 4710 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [0,2,0,0,0,0|1,0,0]=3 4711 B9R0.45 C/C=C/CCOCCCF 7aa23dea8d53e360b9f2d936094e90b4 [0,2,0,0,0,0|1,0,1]=4 4712 B9R0.45 C/C=C/CCOCCCS 16508b6b2e4961769bb0921f28d0d285 [0,2,0,0,0,0|0,1,1]=4 4713 B9R0.45 C/C=C/CCOCCOC 59a729a9ab4033a1eb656d78838ea440 [0,2,0,0,0,0|0,0,1]=3 4714 B9R0.45 C/C=C/CCOCCSC 2d38818cd58c8496cbe29fdb8c8df6f6 [0,2,0,0,0,0|0,1,1]=4 4715 B9R0.45 C/C=C/CCOCOCC 70f3c48b000346091f71231d91c9996a [0,2,0,0,0,0|1,0,1]=4 4716 B9R0.45 C/C=C/CNCCCCO ed0a9542760a19dc2971710326afc5ed [0,2,0,0,0,0|1,0,1]=4 4717 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [0,2,0,0,0,0|1,0,1]=4 4718 B9R0.45 C/C=C/COCCCCF b0a7ff31431d01dbfa0473bc3bacab4f [0,2,0,0,0,0|1,0,1]=4 4719 B9R0.45 C/C=C/COCCCCS ead8e557468ab6fca0834520c9a02bff [0,2,0,0,0,0|1,0,1]=4 4720 B9R0.45 C/C=C/COCCCOC 5f1bc5bcae94818ab169f2532d800a96 [0,2,0,0,0,0|0,0,2]=4 4721 B9R0.45 C/C=C/COCCCSC 3e859da376a456131ea6c3009e2e9528 [0,2,0,0,0,0|1,0,1]=4 4722 B9R0.45 C/C=C/COCCOC=O e819ad25deb5d2df2d81c446421a10a2 [0,2,0,0,0,0|0,0,2]=4 4723 B9R0.45 C/C=C/COCCOCC 63fd2e31279ac1c3bb1fff8b57fcdcc1 [0,2,0,0,0,0|0,0,2]=4 4724 B9R0.45 C/C=C/COCCSCC dfcfe7131818abefbfad7e2a62a434a4 [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.45 C/C=C\CCCNCCBr 3ec8a3cd206cf339f1ac099b5ff6cc70 [0,2,0,0,0,0|2,0,0]=4 4726 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [0,2,0,0,0,0|2,0,0]=4 4727 B9R0.45 C/C=C\CCCNCCF 283361902fb3c78650af87b7c5748776 [0,2,0,0,0,0|2,0,0]=4 4728 B9R0.45 C/C=C\CCCNCCI f21b259cb36428756e868214168d88d1 [0,2,0,0,0,0|2,0,0]=4 4729 B9R0.45 C/C=C\CCCNCCO 901ecd7afc50202c54f6e79e74ff88fa [0,2,0,0,0,0|1,0,0]=3 4730 B9R0.45 C/C=C\CCCNCCS 576b49cef031c3fed7468a94c3f02c04 [0,2,0,0,0,0|1,1,0]=4 4731 B9R0.45 C/C=C\CCCOCC#N 1d3d86b9dd0658f92336881b8cc5537e [0,2,0,0,0,0|1,0,1]=4 4732 B9R0.45 C/C=C\CCCOCC=O d18705bb046350f1567ecd8aed8ca6a7 [0,2,0,0,0,0|0,0,2]=4 4733 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [0,2,0,0,0,0|1,0,0]=3 4734 B9R0.45 C/C=C\CCCOCCF 27d69654f0c177d54bde61ba62492973 [0,2,0,0,0,0|1,0,0]=3 4735 B9R0.45 C/C=C\CCCOCCS 3b63f4b7228ccb7acd58077940f7635c [0,2,0,0,0,0|0,1,0]=3 4736 B9R0.45 C/C=C\CCCOCOC 468d16367ade1ec2e5c893afddf6b7c0 [0,2,0,0,0,0|2,0,0]=4 4737 B9R0.45 C/C=C\CCCOCSC 06123fa9e675d4006d38ffd2014f2008 [0,2,0,0,0,0|2,0,0]=4 4738 B9R0.45 C/C=C\CNCCCCO 1d08969d68ccbef78e75866e633febcf [0,2,0,0,0,0|1,0,1]=4 4739 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [0,2,0,0,0,0|1,0,1]=4 4740 B9R0.45 C/C=C\COCCCCF 4a23eeff00f906196af3c2b6cb55a437 [0,2,0,0,0,0|1,0,1]=4 4741 B9R0.45 C/C=C\COCCCCS 4dc475746e1fe6ee2835b6bd42d9f2cf [0,2,0,0,0,0|1,0,1]=4 4742 B9R0.45 C/C=C\COCCCOC 70d17fbec46f317997436441f1a708dd [0,2,0,0,0,0|0,0,2]=4 4743 B9R0.45 C/C=C\COCCCSC 0b7bc762f4b85e8dd03675e638fdc3a7 [0,2,0,0,0,0|1,0,1]=4 4744 B9R0.45 C/C=C\COCCOC=O 17d1af70c1d9a0bec32f4992817ff790 [0,2,0,0,0,0|0,0,2]=4 4745 B9R0.45 C/C=C\COCCOCC f9def2c1c1305f202dbf7f1c0e571fc4 [0,2,0,0,0,0|0,0,2]=4 4746 B9R0.45 C/C=C\COCCSCC 6029c7fe7770a1e49d0d0365a70777a3 [0,2,0,0,0,0|1,0,1]=4 4747 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [0,2,0,0,0,0|1,0,0]=3 4748 B9R0.45 C=C=CCCOCCCF f32bbd1607310b8957a11f5ab5026833 [0,2,0,0,0,0|2,0,0]=4 4749 B9R0.45 C=C=CCCOCCCS 88dd70ec2232058b36759f0d2ccd64f5 [0,2,0,0,0,0|2,0,0]=4 4750 B9R0.45 C=C=CCCOCCOC 2f73065aed8e0eff7d3149ecfddebc3a [0,2,0,0,0,0|0,0,2]=4 4751 B9R0.45 C=C=CCCOCCSC 3195f535d75753998c906fda4d23644b [0,2,0,0,0,0|2,0,0]=4 4752 B9R0.45 C=C=CCCOCOCC f39907bfb41226b90de75a1cc9f7663a [0,2,0,0,0,0|2,0,0]=4 4753 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [0,2,0,0,0,0|2,0,0]=4 4754 B9R0.45 C=CCCCCCNCO 4058549cb0627342cdb023e8e5d092ea [0,2,0,0,0,0|1,0,1]=4 4755 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [0,2,0,0,0,0|2,0,0]=4 4756 B9R0.45 C=CCCCCNCCBr 07640e6f216624020c084c51b2b6c0e3 [0,2,0,0,0,0|2,0,0]=4 4757 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [0,2,0,0,0,0|2,0,0]=4 4758 B9R0.45 C=CCCCCNCCF bb135346f8d1f2fd9649100cc9cfdedb [0,2,0,0,0,0|2,0,0]=4 4759 B9R0.45 C=CCCCCNCCI 0a6513107528ba2abea852f44f3eb8ef [0,2,0,0,0,0|2,0,0]=4 4760 B9R0.45 C=CCCCCNCCO e90dd5dffbcd01a756bbd1f730cda699 [0,2,0,0,0,0|1,0,0]=3 4761 B9R0.45 C=CCCCCNCCS 981cc28718f0e82344c822015e52ce6e [0,2,0,0,0,0|1,1,0]=4 4762 B9R0.45 C=CCCCCOCC#N a8150f7aee9c61a221c4e7ea08a06750 [0,2,0,0,0,0|1,0,1]=4 4763 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [0,2,0,0,0,0|1,0,1]=4 4764 B9R0.45 C=CCCCCOCC=O 4cdebe78f89dc273e9c86e4da9bd53c6 [0,2,0,0,0,0|0,0,2]=4 4765 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [0,2,0,0,0,0|1,0,0]=3 4766 B9R0.45 C=CCCCCOCCF e5688e416989ce0b8e2de252ce333c03 [0,2,0,0,0,0|1,0,0]=3 4767 B9R0.45 C=CCCCCOCCS 10dfd3c079a28d4d3066722414bfb2da [0,2,0,0,0,0|0,1,0]=3 4768 B9R0.45 C=CCCCCOCOC 374793be8a31c9ce728cb14abf402af4 [0,2,0,0,0,0|2,0,0]=4 4769 B9R0.45 C=CCCCCOCSC 195324d17fdf202ccef6359b6b5e3bb9 [0,2,0,0,0,0|2,0,0]=4 4770 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [0,2,0,0,0,0|2,0,0]=4 4771 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [0,2,0,0,0,0|1,0,1]=4 4772 B9R0.45 C=CCCCNCCOC 759115f4101e6143ad6ba137d2cb2134 [0,2,0,0,0,0|1,0,1]=4 4773 B9R0.45 C=CCCCNCCON d31c36d2194ee619510de9dc5f431209 [0,2,0,0,0,0|1,0,1]=4 4774 B9R0.45 C=CCCCOCCC#N 32c43a5008f4464aed97cb032c8199f4 [0,2,0,0,0,0|1,0,1]=4 4775 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [0,2,0,0,0,0|1,0,1]=4 4776 B9R0.45 C=CCCCOCCC=O c8bdd6d9eb4b2f37ce346479c10f311b [0,2,0,0,0,0|0,0,2]=4 4777 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [0,2,0,0,0,0|1,0,0]=3 4778 B9R0.45 C=CCCCOCCCF 2e6d7089b14dd641e54a76ae7dadaa14 [0,2,0,0,0,0|1,0,1]=4 4779 B9R0.45 C=CCCCOCCCS 00ab52b736b42ecb74aa8e1b43a7e9be [0,2,0,0,0,0|0,1,1]=4 4780 B9R0.45 C=CCCCOCCOC 3f3e29bd58ea27c0ff854dd25e431ca0 [0,2,0,0,0,0|0,0,1]=3 4781 B9R0.45 C=CCCCOCCSC 27b8b1769c1651eaa64484ccb85191f8 [0,2,0,0,0,0|0,1,1]=4 4782 B9R0.45 C=CCCCOCOCC 1cb3725d57ca40858b757ece9ea622f2 [0,2,0,0,0,0|1,0,1]=4 4783 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [0,2,0,0,0,0|2,0,0]=4 4784 B9R0.45 C=CCCNCCCCCl a117ce913481632f0688d24994247e2a [0,2,0,0,0,0|2,0,0]=4 4785 B9R0.45 C=CCCNCCCCF efc5a9a56f0e77778e0d77be991290d0 [0,2,0,0,0,0|2,0,0]=4 4786 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [0,2,0,0,0,0|1,0,1]=4 4787 B9R0.45 C=CCCNCCCCS eb80eda9fad56453c79d6797c2b54750 [0,2,0,0,0,0|2,0,0]=4 4788 B9R0.45 C=CCCNCCCOC f114ed09e62c1c84dddd4497e61d0709 [0,2,0,0,0,0|2,0,0]=4 4789 B9R0.45 C=CCCNCCCSC 82fa4646237d709aa853365c812d6ebb [0,2,0,0,0,0|2,0,0]=4 4790 B9R0.45 C=CCCNCCOCC 3004d01d837d0f88a49d7ce90fd1bde4 [0,2,0,0,0,0|2,0,0]=4 4791 B9R0.45 C=CCCNCCSCC 407d8c67af07288795fc606cb0bad476 [0,2,0,0,0,0|2,0,0]=4 4792 B9R0.45 C=CCCOC/C=C/CC 93f37936ec932f02a04d1af23fc6d4a6 [0,2,0,0,0,0|1,0,1]=4 4793 B9R0.45 C=CCCOC/C=C\CC 353d8f09b866f9610d2a0a5c958988fe [0,2,0,0,0,0|1,0,1]=4 4794 B9R0.45 C=CCCOCC#CCC 42ae0d71f72e633c4a8b2d49a1332127 [0,2,0,0,0,0|1,0,1]=4 4795 B9R0.45 C=CCCOCC/C=C/C 02bc0dfb02cee894d1854f0d5bcd976d [0,2,0,0,0,0|1,0,1]=4 4796 B9R0.45 C=CCCOCCC#CC ae7dbff157c3634fda07427f5e28de39 [0,2,0,0,0,0|1,0,1]=4 4797 B9R0.45 C=CCCOCCCC#N eff93b39875a1a2653a06dc6f83debe6 [0,2,0,0,0,0|1,0,1]=4 4798 B9R0.45 C=CCCOCCCC=O 7836d275180373c5f8265311bdcc7219 [0,2,0,0,0,0|1,0,1]=4 4799 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [0,2,0,0,0,0|1,0,0]=3 4800 B9R0.45 C=CCCOCCCCF d4ec7484466a64c13890e327fd29e039 [0,2,0,0,0,0|1,0,0]=3 4801 B9R0.45 C=CCCOCCCCS 46572775d6dca25538d12c4917173d07 [0,2,0,0,0,0|1,0,0]=3 4802 B9R0.45 C=CCCOCCCOC 2c2711f1681894e043a28c331b1790e2 [0,2,0,0,0,0|1,0,0]=3 4803 B9R0.45 C=CCCOCCCSC a45023388d7b0125e3891a4f7bb25903 [0,2,0,0,0,0|1,0,0]=3 4804 B9R0.45 C=CCCOCCOC=C 3998ca77f9a681f8a309afa9ed9f5b6f [0,2,0,0,0,0|0,0,2]=4 4805 B9R0.45 C=CCCOCCOC=O 669d6dddab0aec33a8de73c11c6d8591 [0,2,0,0,0,0|0,0,2]=4 4806 B9R0.45 C=CCCOCCOCC d362d26f2d685dd3fa35bff0ccc84647 [0,2,0,0,0,0|1,0,0]=3 4807 B9R0.45 C=CCCOCCSCC fcb13c630a689c43c3fade0981e1cb62 [0,2,0,0,0,0|1,0,0]=3 4808 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [0,2,0,0,0,0|2,0,0]=4 4809 B9R0.45 C=CCNCCCCCO b81fe78c797f2a70aa21f5595d13d0f6 [0,2,0,0,0,0|1,0,1]=4 4810 B9R0.45 C=CCNCCOCCC 2f529c37c6157fe0a2cf6ac6ecb62671 [0,2,0,0,0,0|1,0,1]=4 4811 B9R0.45 C=CCNCCOCCO bc56290d34b38e37fb1d7738d9ad2f64 [0,2,0,0,0,0|0,0,1]=3 4812 B9R0.45 C=CCNCCOCCS 6fd5382e230b67cdd561d891d88a4788 [0,2,0,0,0,0|0,1,1]=4 4813 B9R0.45 C=CCNCCSCCO ebc87df9fab511d2adbcb824964ed78b [0,2,0,0,0,0|0,1,1]=4 4814 B9R0.45 C=CCOC/C=C/CCC 03f943a302f07b256fea7fe612c77864 [0,2,0,0,0,0|1,0,1]=4 4815 B9R0.45 C=CCOC/C=C\CCC 4432a6c92de315c9d357463297069e17 [0,2,0,0,0,0|1,0,1]=4 4816 B9R0.45 C=CCOCC#CCCC 61960cad58b07faaa39f31a59372818c [0,2,0,0,0,0|1,0,1]=4 4817 B9R0.45 C=CCOCC/C=C/CC d3a6361fd98a3a77c09decf732113b8c [0,2,0,0,0,0|1,0,1]=4 4818 B9R0.45 C=CCOCC/C=C\CC 75e789e3e347a0b07ef9e85b5dbe7cef [0,2,0,0,0,0|1,0,1]=4 4819 B9R0.45 C=CCOCCC#CCC 38b5618438defebc0d615743ee804bec [0,2,0,0,0,0|1,0,1]=4 4820 B9R0.45 C=CCOCCC/C=C/C 217b2434c43204a188c3b14919533da4 [0,2,0,0,0,0|1,0,1]=4 4821 B9R0.45 C=CCOCCC/C=C\C a944933b0505ca3c9235967299c45883 [0,2,0,0,0,0|1,0,1]=4 4822 B9R0.45 C=CCOCCCC#CC bd10cca88eafe64817f19111770d9999 [0,2,0,0,0,0|1,0,1]=4 4823 B9R0.45 C=CCOCCCC=CC 0f2672606a77485816b1b1be6b9e708b [0,2,0,0,0,0|1,0,1]=4 4824 B9R0.45 C=CCOCCCCC#N 9b9458085a9c36131d7507247e12680a [0,2,0,0,0,0|1,0,1]=4 4825 B9R0.45 C=CCOCCCCC=O 37f121bf5671a3553e184a5b90c564ae [0,2,0,0,0,0|1,0,1]=4 4826 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [0,2,0,0,0,0|1,0,1]=4 4827 B9R0.45 C=CCOCCCCOC 128cb8201d6a9addfa90ce2aa3d56855 [0,2,0,0,0,0|1,0,1]=4 4828 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [0,2,0,0,0,0|1,0,1]=4 4829 B9R0.45 C=CCOCCCOCC 07f39b6bf8d420b1e0d79a059a1cabfd [0,2,0,0,0,0|1,0,1]=4 4830 B9R0.45 C=CCOCCCSCC 010127de1abeb4b03bb349c6ddd307c9 [0,2,0,0,0,0|1,0,1]=4 4831 B9R0.45 C=CCOCCNCCBr 489407cc9f6e4cb0888de594893b5bb6 [0,2,0,0,0,0|1,0,1]=4 4832 B9R0.45 C=CCOCCNCCC 9694c4d9a9f18cb3ea4ec1572bfb4ddb [0,2,0,0,0,0|1,0,1]=4 4833 B9R0.45 C=CCOCCNCCF d3ca3fa67b449337438ce4b90bfbb64a [0,2,0,0,0,0|1,0,1]=4 4834 B9R0.45 C=CCOCCNCCI 49d8851e5849763ee217c4bfab4918ff [0,2,0,0,0,0|1,0,1]=4 4835 B9R0.45 C=CCOCCNCCO 637d5384b367c2111cf0eccdf31f0731 [0,2,0,0,0,0|1,0,1]=4 4836 B9R0.45 C=CCOCCNCCS 02176bc66981ce342fea75fbe04f7cf2 [0,2,0,0,0,0|1,0,1]=4 4837 B9R0.45 C=CCOCCOCCC efb69812f28efe0f9f62374b7669e490 [0,2,0,0,0,0|1,0,1]=4 4838 B9R0.45 C=CCOCCOCCF 3e0ad86dbc12511e2d2d4758fd9a036d [0,2,0,0,0,0|1,0,1]=4 4839 B9R0.45 C=CCOCCOCCS 70624696cc5e418779f211a09f520b40 [0,2,0,0,0,0|0,1,1]=4 4840 B9R0.45 C=CCOCCOCOC 1ad856357ce40e0de6ec31b427d3edaa [0,2,0,0,0,0|1,0,1]=4 4841 B9R0.45 C=CCOCCOCSC d10afb030a3f3094283be81776346e0e [0,2,0,0,0,0|1,0,1]=4 4842 B9R0.45 C=CCOCCSCCC 06be4be84f87fa36d14a267f98502073 [0,2,0,0,0,0|1,0,1]=4 4843 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [0,2,0,0,0,0|2,0,0]=4 4844 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [0,2,0,0,0,0|2,0,0]=4 4845 B9R0.45 C=COCCCNCCO 06c96074c4860e09f343f58912e6352b [0,2,0,0,0,0|1,0,1]=4 4846 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [0,2,0,0,0,0|1,0,0]=3 4847 B9R0.45 C=COCCNCCCF f3e2b4fd1de0dc9bbf62d1b344a7bac4 [0,2,0,0,0,0|2,0,0]=4 4848 B9R0.45 C=COCCNCCCO d27f80adf1430ea08deaa2cefb519d7b [0,2,0,0,0,0|2,0,0]=4 4849 B9R0.45 C=COCCNCCCS 3141383726fb60b6effd0dcc6457a22f [0,2,0,0,0,0|2,0,0]=4 4850 B9R0.45 C=COCCNCCOC 8998d3f2852cb060cf80f9e513ded42d [0,2,0,0,0,0|2,0,0]=4 4851 B9R0.45 C=COCCNCCSC 0eb4df1ced90f3cd2e7965b4838f2c42 [0,2,0,0,0,0|2,0,0]=4 4852 B9R0.45 C=COCCNCOCC 1307fb188bd023c0a1e33682053c534b [0,2,0,0,0,0|2,0,0]=4 4853 B9R0.45 C=COCCOC/C=C/C fc628c4976c1125c1b8b8f7389965232 [0,2,0,0,0,0|0,0,2]=4 4854 B9R0.45 C=COCCOC/C=C\C 396a0be020cccfb6483fb2b9e8e331ec [0,2,0,0,0,0|0,0,2]=4 4855 B9R0.45 C=COCCOCC#CC 983455d356e15b6dcd13a46d307214ca [0,2,0,0,0,0|0,0,2]=4 4856 B9R0.45 C=COCCOCCC#N 16e12c031df4c3052b9e6e982625e187 [0,2,0,0,0,0|1,0,1]=4 4857 B9R0.45 C=COCCOCCC=O 934f6180f8ff75aa610fcf5b6c5cfee7 [0,2,0,0,0,0|1,0,1]=4 4858 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [0,2,0,0,0,0|0,0,0]=2 4859 B9R0.45 C=COCCOCCCF 325dbbe62a7d23e9a09f0f079dac21f6 [0,2,0,0,0,0|1,0,0]=3 4860 B9R0.45 C=COCCOCCCS 84870c3b7ba54bfa81156e923badff1a [0,2,0,0,0,0|1,0,0]=3 4861 B9R0.45 C=COCCOCCOC d5c7454fb8eeee486998f67fc36cc9ef [0,2,0,0,0,0|1,0,0]=3 4862 B9R0.45 C=COCCOCCSC 711c9866788c25cca93044aa576a1794 [0,2,0,0,0,0|1,0,0]=3 4863 B9R0.45 C=COCCOCOCC 126e9a328f128a52a96dcf4759bdbcbd [0,2,0,0,0,0|1,0,0]=3 4864 B9R0.45 CC#CCCCOCC#N ed5cbbfc1e2ab3693cad14d35fda1ab5 [0,2,0,0,0,0|1,0,1]=4 4865 B9R0.45 CC#CCCCOCC=O 663ad91ba809ad42bac7437ef74a39d4 [0,2,0,0,0,0|0,0,2]=4 4866 B9R0.45 CC#CCCCOCCC 4902122539f36e7166b52eecca3e8eb9 [0,2,0,0,0,0|1,0,0]=3 4867 B9R0.45 CC#CCCCOCCF 6121373a63e94ab3c82fad0dc8cd96fd [0,2,0,0,0,0|1,0,0]=3 4868 B9R0.45 CC#CCCCOCCS a9f56477f9a67413a53c98fc877fddae [0,2,0,0,0,0|0,1,0]=3 4869 B9R0.45 CC#CCCCOCOC b4bc12ceb6c230f5a3d4aaf1b56956aa [0,2,0,0,0,0|2,0,0]=4 4870 B9R0.45 CC#CCCCOCSC ecc531ccaf34d3fa68639ec75e3b8005 [0,2,0,0,0,0|2,0,0]=4 4871 B9R0.45 CC#CCCOCCC#N 539bb6656c9b367cd558944e58b2887d [0,2,0,0,0,0|1,0,1]=4 4872 B9R0.45 CC#CCCOCCC=O adbd8f28d576c2681f49f27738617938 [0,2,0,0,0,0|0,0,2]=4 4873 B9R0.45 CC#CCCOCCCC c72a6c42998742ae583736d95f423721 [0,2,0,0,0,0|1,0,0]=3 4874 B9R0.45 CC#CCCOCCCF d68f5b27fad706cdb4c8e74faca5b4b0 [0,2,0,0,0,0|1,0,1]=4 4875 B9R0.45 CC#CCCOCCCS 71513e28d2a8c5f0d51dce110cbec3f1 [0,2,0,0,0,0|0,1,1]=4 4876 B9R0.45 CC#CCCOCCOC b2f144ccef5761c41978e8f006cd3c40 [0,2,0,0,0,0|0,0,1]=3 4877 B9R0.45 CC#CCCOCCSC f07dfe2e9ed293bc55dcaa0fe5d60424 [0,2,0,0,0,0|0,1,1]=4 4878 B9R0.45 CC#CCCOCOCC 52d70ffb267cb5c4b5f4c4d58ce81ab7 [0,2,0,0,0,0|1,0,1]=4 4879 B9R0.45 CC#CCNCCCCO 0239c4bc2d098da478173ff0009a4c88 [0,2,0,0,0,0|1,0,1]=4 4880 B9R0.45 CC#CCOCCCCC 07d04e7fc4125bc3518c9cd0bb6a8ff5 [0,2,0,0,0,0|1,0,1]=4 4881 B9R0.45 CC#CCOCCCCF 1c4f629d94c754c5e5fbd1a104b0b99d [0,2,0,0,0,0|1,0,1]=4 4882 B9R0.45 CC#CCOCCCOC d2ce0b570236dea4a0eec7803185fd5e [0,2,0,0,0,0|0,0,2]=4 4883 B9R0.45 CC#CCOCCCSC d9e5825f85680e29700661b0f5f5bc30 [0,2,0,0,0,0|1,0,1]=4 4884 B9R0.45 CC#CCOCCOC=O 99367d885087b4d5132fdf1004ef0c19 [0,2,0,0,0,0|0,0,2]=4 4885 B9R0.45 CC#CCOCCOCC caed5f995187ea668c4d672b9610cfd0 [0,2,0,0,0,0|0,0,2]=4 4886 B9R0.45 CC#CCOCCSCC 854f6304702017fc6681fd641a759e26 [0,2,0,0,0,0|1,0,1]=4 4887 B9R0.45 CC/C=C/CCOCC#N bf4c789ee434fec2fbbb7b719e847697 [0,2,0,0,0,0|1,0,1]=4 4888 B9R0.45 CC/C=C/CCOCC=O ad17a670e163a34530891c854a5f696c [0,2,0,0,0,0|0,0,2]=4 4889 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [0,2,0,0,0,0|1,0,0]=3 4890 B9R0.45 CC/C=C/CCOCCF 67cb50c940f1ea24e380ed351a9e27a4 [0,2,0,0,0,0|1,0,0]=3 4891 B9R0.45 CC/C=C/CCOCCS 4e6dcfeca03f19c51d7947aefe2b01ad [0,2,0,0,0,0|0,1,0]=3 4892 B9R0.45 CC/C=C/CCOCOC 796ebdddd1f42ca6def4f4ec2bad3826 [0,2,0,0,0,0|2,0,0]=4 4893 B9R0.45 CC/C=C/CCOCSC ec77883b00b8cd5828d5d0af69a4f670 [0,2,0,0,0,0|2,0,0]=4 4894 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [0,2,0,0,0,0|2,0,0]=4 4895 B9R0.45 CC/C=C/CNCCCO cb7b5cd9fbacab019b7f7229d9ec3bad [0,2,0,0,0,0|1,0,1]=4 4896 B9R0.45 CC/C=C/CNCCOC 0d24164802d3640a6fe81918b88b9dd2 [0,2,0,0,0,0|1,0,1]=4 4897 B9R0.45 CC/C=C/CNCCON 55291a68ac018e6182d65941efe6f3c9 [0,2,0,0,0,0|1,0,1]=4 4898 B9R0.45 CC/C=C/COCCC#N 3efe37bf9cbde59408182e42b5d7164c [0,2,0,0,0,0|1,0,1]=4 4899 B9R0.45 CC/C=C/COCCC=O d6f550e324359bfac415f041e46bdeb8 [0,2,0,0,0,0|0,0,2]=4 4900 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [0,2,0,0,0,0|1,0,0]=3 4901 B9R0.45 CC/C=C/COCCCF 1bdd7c31c17136a0ee0cf9ba9dbb1645 [0,2,0,0,0,0|1,0,1]=4 4902 B9R0.45 CC/C=C/COCCCS b790b5be01e61725cece8582b2949c8d [0,2,0,0,0,0|0,1,1]=4 4903 B9R0.45 CC/C=C/COCCOC 2ab85f3f4b406678e53b18145e6c066d [0,2,0,0,0,0|0,0,1]=3 4904 B9R0.45 CC/C=C/COCCSC 18b89071df33ae0d8403f439f52dcb53 [0,2,0,0,0,0|0,1,1]=4 4905 B9R0.45 CC/C=C/COCOCC 50e4f4dcb8fa3a706b0c7b393f8b8c0d [0,2,0,0,0,0|1,0,1]=4 4906 B9R0.45 CC/C=C\CCNCCBr d0103383ad5ee115dba2a58f31111ba9 [0,2,0,0,0,0|2,0,0]=4 4907 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [0,2,0,0,0,0|2,0,0]=4 4908 B9R0.45 CC/C=C\CCNCCF e69284276f386d7b30fc1c6037cf6bba [0,2,0,0,0,0|2,0,0]=4 4909 B9R0.45 CC/C=C\CCNCCI 17b98b9b79873be0890495201214d847 [0,2,0,0,0,0|2,0,0]=4 4910 B9R0.45 CC/C=C\CCNCCO a24354b5170b61b119e5744674583b1d [0,2,0,0,0,0|1,0,0]=3 4911 B9R0.45 CC/C=C\CCNCCS ba9aaf18a6f89fc41cd3a82c946b808c [0,2,0,0,0,0|1,1,0]=4 4912 B9R0.45 CC/C=C\CCOCC#N c5cc4aa26373c4551193308f135ee433 [0,2,0,0,0,0|1,0,1]=4 4913 B9R0.45 CC/C=C\CCOCC=O 43305c6de6e2aa8f989b2fa311880427 [0,2,0,0,0,0|0,0,2]=4 4914 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [0,2,0,0,0,0|1,0,0]=3 4915 B9R0.45 CC/C=C\CCOCCF abbcbf46201292033d3f156f0dd55de6 [0,2,0,0,0,0|1,0,0]=3 4916 B9R0.45 CC/C=C\CCOCCS 7038af308828495d311d4bc2f471647f [0,2,0,0,0,0|0,1,0]=3 4917 B9R0.45 CC/C=C\CCOCOC 888241aa2c4a0a3e7d9b504c0bf516e6 [0,2,0,0,0,0|2,0,0]=4 4918 B9R0.45 CC/C=C\CCOCSC db623e610663b8da8c1cd9145a0ca2fa [0,2,0,0,0,0|2,0,0]=4 4919 B9R0.45 CC/C=C\COCCC#N f9bfce2c8b8c795f4f58b916d9f7a9b2 [0,2,0,0,0,0|1,0,1]=4 4920 B9R0.45 CC/C=C\COCCC=O c07660cf26a3506f42ef614da4e3c32d [0,2,0,0,0,0|0,0,2]=4 4921 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [0,2,0,0,0,0|1,0,0]=3 4922 B9R0.45 CC/C=C\COCCCF 72a1b5ac285dce171db4f5111b128f43 [0,2,0,0,0,0|1,0,1]=4 4923 B9R0.45 CC/C=C\COCCCS 6e33151a0a5cf56487e599bfb322c44a [0,2,0,0,0,0|0,1,1]=4 4924 B9R0.45 CC/C=C\COCCOC 4b82bbbe9d74c1cfc60aec77e1a195d5 [0,2,0,0,0,0|0,0,1]=3 4925 B9R0.45 CC/C=C\COCCSC a73a03f865a08d6a2c8e0d94d81b602b [0,2,0,0,0,0|0,1,1]=4 4926 B9R0.45 CC/C=C\COCOCC e813f39c64d857c1984d9d6aae25f396 [0,2,0,0,0,0|1,0,1]=4 4927 B9R0.45 CC=C=CCCOCCC c98648b64a6bd61fce8033f3515764f0 [0,2,0,0,0,0|1,0,1]=4 4928 B9R0.45 CC=C=CCCOCCF cc78d53b4122ca37ba8464af63c869e3 [0,2,0,0,0,0|1,0,1]=4 4929 B9R0.45 CC=C=CCCOCCS 3d9a4629f281f1a34e699f0a0a661d42 [0,2,0,0,0,0|0,1,1]=4 4930 B9R0.45 CC=CCCCOCC#N e8d1bc8668831a70ec71223cfaf6389a [0,2,0,0,0,0|1,0,1]=4 4931 B9R0.45 CC=CCCCOCC=O a48ec6b46a57870327d7e3aa293527bd [0,2,0,0,0,0|0,0,2]=4 4932 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [0,2,0,0,0,0|1,0,0]=3 4933 B9R0.45 CC=CCCCOCCF dbd226b7210a3389dec602609fd6287c [0,2,0,0,0,0|1,0,0]=3 4934 B9R0.45 CC=CCCCOCCS 7bd8f4a474396aa849783a36358f8476 [0,2,0,0,0,0|0,1,0]=3 4935 B9R0.45 CC=CCCCOCOC 72b71ebeadbfae707e88713e17d937d7 [0,2,0,0,0,0|2,0,0]=4 4936 B9R0.45 CC=CCCCOCSC a1d08f1eea46f54aa4275162125103ce [0,2,0,0,0,0|2,0,0]=4 4937 B9R0.45 CC=CCNCCCCO b6b45149b09015d2bafd23ae2a68f9c1 [0,2,0,0,0,0|1,0,1]=4 4938 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [0,2,0,0,0,0|1,0,1]=4 4939 B9R0.45 CC=CCOCCCCF 6a8cb9313ca4b7bd38d5b438c4e9236e [0,2,0,0,0,0|1,0,1]=4 4940 B9R0.45 CC=CCOCCCOC 0948e1eb74f1a2c9a6b4cce71af0db97 [0,2,0,0,0,0|0,0,2]=4 4941 B9R0.45 CC=CCOCCCSC 931be6d2224eec3dcf1624c2b5a2a6e2 [0,2,0,0,0,0|1,0,1]=4 4942 B9R0.45 CC=CCOCCOCC 8aaf0b6d05c0e664561b324cae6670b9 [0,2,0,0,0,0|0,0,2]=4 4943 B9R0.45 CC=CCOCCSCC 1bfa6bc70dcde019a8187f955a73222b [0,2,0,0,0,0|1,0,1]=4 4944 B9R0.45 CCC#CCCOCC#N 459214a09568b5135137160d7de456e6 [0,2,0,0,0,0|1,0,1]=4 4945 B9R0.45 CCC#CCCOCC=O f3592ea51856d33dfc0b4bb86b6a1514 [0,2,0,0,0,0|0,0,2]=4 4946 B9R0.45 CCC#CCCOCCC 4cc8a61a8d84e6a0c5e1fcd690fd5b56 [0,2,0,0,0,0|1,0,0]=3 4947 B9R0.45 CCC#CCCOCCF 920181bb3580e9311f605ea9916eef09 [0,2,0,0,0,0|1,0,0]=3 4948 B9R0.45 CCC#CCCOCCS 9651bf2ef4eeab26576d89ffb502c328 [0,2,0,0,0,0|0,1,0]=3 4949 B9R0.45 CCC#CCCOCOC 322ca921210d5c5eb3965eb82649e119 [0,2,0,0,0,0|2,0,0]=4 4950 B9R0.45 CCC#CCCOCSC e0382b283479ce098ea0fbf153fd247e [0,2,0,0,0,0|2,0,0]=4 4951 B9R0.45 CCC#CCNCCCC b16b9ba44f9f00cc4bf164df593785df [0,2,0,0,0,0|2,0,0]=4 4952 B9R0.45 CCC#CCNCCCO 56e61b33038f74080b8801eda5dac878 [0,2,0,0,0,0|1,0,1]=4 4953 B9R0.45 CCC#CCNCCOC b1744ca4e0ff6b5a7be2c6e6779bc4fa [0,2,0,0,0,0|1,0,1]=4 4954 B9R0.45 CCC#CCNCCON 55be1b8925f01cec64536eb50b358246 [0,2,0,0,0,0|1,0,1]=4 4955 B9R0.45 CCC#CCOCCC#N 18634510d0295290c5cbeb81d9c0df73 [0,2,0,0,0,0|1,0,1]=4 4956 B9R0.45 CCC#CCOCCC=O 0baf7b445d32c592c84a854d0b977403 [0,2,0,0,0,0|0,0,2]=4 4957 B9R0.45 CCC#CCOCCCC e29b05fd44bb447849a1841423f507ef [0,2,0,0,0,0|1,0,0]=3 4958 B9R0.45 CCC#CCOCCCF 0217f4c344502a5a26b24dd4cd089299 [0,2,0,0,0,0|1,0,1]=4 4959 B9R0.45 CCC#CCOCCCS 34ce5ff04da748fa31172fdd2c0bebeb [0,2,0,0,0,0|0,1,1]=4 4960 B9R0.45 CCC#CCOCCOC 5151a106b1c1f68e0c54b006d39d5af0 [0,2,0,0,0,0|0,0,1]=3 4961 B9R0.45 CCC#CCOCCSC 575fb0c46721b9edb217753d6543d000 [0,2,0,0,0,0|0,1,1]=4 4962 B9R0.45 CCC#CCOCOCC a20e7e4e9ae8768f28e5f2a34e62dada [0,2,0,0,0,0|1,0,1]=4 4963 B9R0.45 CCC/C=C/CNCCBr d3e07a232209fe5440777ccc661728b3 [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.45 CCC/C=C/CNCCC 859277d10260fb4868f057b0beb905a9 [0,2,0,0,0,0|2,0,0]=4 4965 B9R0.45 CCC/C=C/CNCCF 0dab72024f268ec4fe15718f8c6d16aa [0,2,0,0,0,0|2,0,0]=4 4966 B9R0.45 CCC/C=C/CNCCI 14cbd69f62801cb004945a1ced893a63 [0,2,0,0,0,0|2,0,0]=4 4967 B9R0.45 CCC/C=C/CNCCO f36a34dbc29fb4af4c73acfa4003430e [0,2,0,0,0,0|1,0,0]=3 4968 B9R0.45 CCC/C=C/CNCCS a4179fa1a875de08e09efe6fda165673 [0,2,0,0,0,0|1,1,0]=4 4969 B9R0.45 CCC/C=C/COCC#N 117b712ae3e7472237c514a61745e4b5 [0,2,0,0,0,0|1,0,1]=4 4970 B9R0.45 CCC/C=C/COCC=O 4b38aa72153068d33113c423eeaba184 [0,2,0,0,0,0|0,0,2]=4 4971 B9R0.45 CCC/C=C/COCCC e2603f506af8247235a50f3fd3dcc6bb [0,2,0,0,0,0|1,0,0]=3 4972 B9R0.45 CCC/C=C/COCCF 978a5208ddf8dbd1daab1fe6009fa3a9 [0,2,0,0,0,0|1,0,0]=3 4973 B9R0.45 CCC/C=C/COCCS 70b6887423dff1b8abacdf0010010f4d [0,2,0,0,0,0|0,1,0]=3 4974 B9R0.45 CCC/C=C/COCOC 2ed18a1d7b328c128b9c9b7fe376ba14 [0,2,0,0,0,0|1,0,1]=4 4975 B9R0.45 CCC/C=C/COCSC 0ed1754b723aa10b4a46ff1120cdef70 [0,2,0,0,0,0|2,0,0]=4 4976 B9R0.45 CCC/C=C\CCOCC 22a9a7febcfe7dc866e40e1f973d5118 [0,2,0,0,0,0|1,0,1]=4 4977 B9R0.45 CCC/C=C\CCOCF 2b67d157ac69da426b717a823272f886 [0,2,0,0,0,0|1,0,1]=4 4978 B9R0.45 CCC/C=C\CNCCBr 1aaf2cfe08984012d1434b649e6912e9 [0,2,0,0,0,0|2,0,0]=4 4979 B9R0.45 CCC/C=C\CNCCC 7ec0844d7fbfce65ba4c3c1af89a7542 [0,2,0,0,0,0|2,0,0]=4 4980 B9R0.45 CCC/C=C\CNCCF 5c94f11b70b72a7893a0fbf9a05ecedd [0,2,0,0,0,0|2,0,0]=4 4981 B9R0.45 CCC/C=C\CNCCI df01ebe4e9c691b07bce3ffc9f21436a [0,2,0,0,0,0|2,0,0]=4 4982 B9R0.45 CCC/C=C\CNCCO cfdbb07d9a559faa9d3964c84bf4e450 [0,2,0,0,0,0|1,0,0]=3 4983 B9R0.45 CCC/C=C\CNCCS 3cb85b4e8829d8514180b7119d194cda [0,2,0,0,0,0|1,1,0]=4 4984 B9R0.45 CCC/C=C\COCC#N cd51cf1f88e77393a7b272fb111641ce [0,2,0,0,0,0|1,0,1]=4 4985 B9R0.45 CCC/C=C\COCC=O bf01e182e8daf457f7933faee15ce932 [0,2,0,0,0,0|0,0,2]=4 4986 B9R0.45 CCC/C=C\COCCC c19f5c31ee9318be226094f6198923ec [0,2,0,0,0,0|1,0,0]=3 4987 B9R0.45 CCC/C=C\COCCF 511c03796cf7185b66b2da83396e230d [0,2,0,0,0,0|1,0,0]=3 4988 B9R0.45 CCC/C=C\COCCS 069417b43be98e62668d665c91d715b3 [0,2,0,0,0,0|0,1,0]=3 4989 B9R0.45 CCC/C=C\COCOC 55ea190b49bb7f6c2655f389f986e42c [0,2,0,0,0,0|1,0,1]=4 4990 B9R0.45 CCC/C=C\COCSC b8b2c6e8294ce2f2ef38018053320a26 [0,2,0,0,0,0|2,0,0]=4 4991 B9R0.45 CCCC#CCCOCC 87cce18b1526d1564fd256422e3a5c87 [0,2,0,0,0,0|1,0,1]=4 4992 B9R0.45 CCCC#CCCOCF 1cc43578f95f4d4a171ccc21c7910ecd [0,2,0,0,0,0|1,0,1]=4 4993 B9R0.45 CCCC#CCOCC#N abc377a7fcfca8357a0085e7acd87f94 [0,2,0,0,0,0|1,0,1]=4 4994 B9R0.45 CCCC#CCOCC=O a97331af7fccddc94ac63e85e9270e0b [0,2,0,0,0,0|0,0,2]=4 4995 B9R0.45 CCCC#CCOCCC ff72fbd1d49bd3be22c26f820479a5f0 [0,2,0,0,0,0|1,0,0]=3 4996 B9R0.45 CCCC#CCOCCF a0222017798aa4876fa8c505c6ff3cbb [0,2,0,0,0,0|1,0,0]=3 4997 B9R0.45 CCCC#CCOCCS dddf7abe8576297076af028dcd7d6d53 [0,2,0,0,0,0|0,1,0]=3 4998 B9R0.45 CCCC#CCOCOC 9141c15afb0e89e709d4072d61135c2c [0,2,0,0,0,0|1,0,1]=4 4999 B9R0.45 CCCC#CCOCSC 7d8968d32ed82d9ecf95395c86c0c55d [0,2,0,0,0,0|2,0,0]=4 5000 B9R0.45 CCCC/C=C/COCC 054a7450f451f94427ddda8cd9685a27 [0,2,0,0,0,0|1,0,1]=4 5001 B9R0.45 CCCC/C=C/COCF 57bc10b07f573c8f193a7f880638046b [0,2,0,0,0,0|1,0,1]=4 5002 B9R0.45 CCCCC#CCOCC 6a491d1b6cd18fda4f66418d9ff25831 [0,2,0,0,0,0|1,0,1]=4 5003 B9R0.45 CCCCC#CCOCF 00a4f621b8a0d15e467026ad90f06772 [0,2,0,0,0,0|1,0,1]=4 5004 B9R0.45 CCCCCCCNC#N 248b00270638672a211be30b41165ea4 [0,2,0,0,0,0|2,0,0]=4 5005 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [0,2,0,0,0,0|1,0,1]=4 5006 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [0,2,0,0,0,0|2,0,0]=4 5007 B9R0.45 CCCCCCCNCF 39b29e109b290c792595feab642af08e [0,2,0,0,0,0|2,0,0]=4 5008 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [0,2,0,0,0,0|1,0,0]=3 5009 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [0,2,0,0,0,0|1,0,0]=3 5010 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [0,2,0,0,0,0|1,0,0]=3 5011 B9R0.45 CCCCCCNCC#N f1982764285efd94f6d8f1be2d766cd1 [0,2,0,0,0,0|2,0,0]=4 5012 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [0,2,0,0,0,0|1,0,1]=4 5013 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [0,2,0,0,0,0|2,0,0]=4 5014 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [0,2,0,0,0,0|2,0,0]=4 5015 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [0,2,0,0,0,0|2,0,0]=4 5016 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [0,2,0,0,0,0|2,0,0]=4 5017 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [0,2,0,0,0,0|1,0,0]=3 5018 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [0,2,0,0,0,0|1,1,0]=4 5019 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [0,2,0,0,0,0|1,0,0]=3 5020 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [0,2,0,0,0,0|1,1,0]=4 5021 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [0,2,0,0,0,0|1,0,1]=4 5022 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [0,2,0,0,0,0|0,0,2]=4 5023 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [0,2,0,0,0,0|1,0,0]=3 5024 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [0,2,0,0,0,0|1,0,0]=3 5025 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [0,2,0,0,0,0|0,1,0]=3 5026 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [0,2,0,0,0,0|1,0,0]=3 5027 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [0,2,0,0,0,0|1,1,0]=4 5028 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [0,2,0,0,0,0|1,0,1]=4 5029 B9R0.45 CCCCCNCCC#N cebb46d01d125ec08ad6d11a0ca21676 [0,2,0,0,0,0|2,0,0]=4 5030 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [0,2,0,0,0,0|1,0,1]=4 5031 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [0,2,0,0,0,0|2,0,0]=4 5032 B9R0.45 CCCCCNCCCCl 109aece1b500375b78357a337e9896e4 [0,2,0,0,0,0|2,0,0]=4 5033 B9R0.45 CCCCCNCCCF 5ad689e26c296fbe8637b1c72c8b1ac8 [0,2,0,0,0,0|2,0,0]=4 5034 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [0,2,0,0,0,0|1,0,0]=3 5035 B9R0.45 CCCCCNCCCS 7d387ec49be60b8d3336c43db9a47159 [0,2,0,0,0,0|1,1,0]=4 5036 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [0,2,0,0,0,0|1,0,0]=3 5037 B9R0.45 CCCCCNCCON 3f6e33ed7c17c07fd46f073b64cb680f [0,2,0,0,0,0|1,0,0]=3 5038 B9R0.45 CCCCCNCCSC 738dc92cc1ee7c68b53e333bc3c1249e [0,2,0,0,0,0|1,1,0]=4 5039 B9R0.45 CCCCCNCOCC 106dd0a5d7506881af71fe2f076cb844 [0,2,0,0,0,0|2,0,0]=4 5040 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [0,2,0,0,0,0|1,0,1]=4 5041 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [0,2,0,0,0,0|1,0,1]=4 5042 B9R0.45 CCCCCOCC#CI 98f1a37650bbb5a5f719ea9888fd4110 [0,2,0,0,0,0|1,0,1]=4 5043 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [0,2,0,0,0,0|1,0,1]=4 5044 B9R0.45 CCCCCOCCC#N b56a90d4adc45e9e40fb67d86d26f6c5 [0,2,0,0,0,0|1,0,0]=3 5045 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [0,2,0,0,0,0|0,0,1]=3 5046 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [0,2,0,0,0,0|1,0,0]=3 5047 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [0,2,0,0,0,0|1,0,0]=3 5048 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [0,2,0,0,0,0|0,1,0]=3 5049 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [0,2,0,0,0,0|0,0,0]=2 5050 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [0,2,0,0,0,0|0,1,0]=3 5051 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [0,2,0,0,0,0|1,0,0]=3 5052 B9R0.45 CCCCCOCSC#N a0331f1c29aef1ee9c4e9f9e70981813 [0,2,0,0,0,0|1,0,1]=4 5053 B9R0.45 CCCCNCC#CCO f9b46685816839424d05c17328cbd03f [0,2,0,0,0,0|1,0,0]=3 5054 B9R0.45 CCCCNCCCC#N 68e4f040892091fa5c455116d9aa7e49 [0,2,0,0,0,0|2,0,0]=4 5055 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [0,2,0,0,0,0|1,0,1]=4 5056 B9R0.45 CCCCNCCCCCl 8e0e9ebf8dfb1495f624013ef828e19e [0,2,0,0,0,0|2,0,0]=4 5057 B9R0.45 CCCCNCCCCF 953d043841cd25eff2ef5c3d0831f1dd [0,2,0,0,0,0|2,0,0]=4 5058 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [0,2,0,0,0,0|1,0,0]=3 5059 B9R0.45 CCCCNCCCCS 293a84436b4673ea4650c3832cb6a843 [0,2,0,0,0,0|1,1,0]=4 5060 B9R0.45 CCCCNCCCOC 788f960a3da4a154a6d1eb4fd6357034 [0,2,0,0,0,0|1,0,0]=3 5061 B9R0.45 CCCCNCCCSC 1307aea73f697be7347c70961c337c72 [0,2,0,0,0,0|1,1,0]=4 5062 B9R0.45 CCCCNCCOCC 39271ffac0a4948f82700c61c9eec153 [0,2,0,0,0,0|1,0,0]=3 5063 B9R0.45 CCCCNCCSCC b1ef8d1aa777f7abf26f9f2c6eb99f55 [0,2,0,0,0,0|1,1,0]=4 5064 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [0,2,0,0,0,0|0,0,2]=4 5065 B9R0.45 CCCCOCC=CC#N 604c3e00400d7381d624e197c000cd4a [0,2,0,0,0,0|1,0,1]=4 5066 B9R0.45 CCCCOCCCC#N 3485bfd63f5f243eafd22661b7976f88 [0,2,0,0,0,0|1,0,0]=3 5067 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [0,2,0,0,0,0|0,0,1]=3 5068 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [0,2,0,0,0,0|1,0,0]=3 5069 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [0,2,0,0,0,0|0,1,0]=3 5070 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [0,2,0,0,0,0|0,0,0]=2 5071 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [0,2,0,0,0,0|0,1,0]=3 5072 B9R0.45 CCCCOCCNC#N bf81be7ca7ca93c6a03b738fb755613c [0,2,0,0,0,0|1,0,0]=3 5073 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [0,2,0,0,0,0|0,0,1]=3 5074 B9R0.45 CCCCOCCNCC c0f6eb404167932e0e88f86a69bff347 [0,2,0,0,0,0|1,0,0]=3 5075 B9R0.45 CCCCOCCNCF 8b135b0f5074a5377d2a7e28c8efcd84 [0,2,0,0,0,0|1,0,0]=3 5076 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [0,2,0,0,0,0|0,0,0]=2 5077 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [0,2,0,0,0,0|0,0,0]=2 5078 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [0,2,0,0,0,0|0,0,0]=2 5079 B9R0.45 CCCCOCCOCF 07adb0bf6498af630a31d7ca7d57b829 [0,2,0,0,0,0|0,0,0]=2 5080 B9R0.45 CCCCOCCSCC 4b27bedc971633e9128e01c7169daa62 [0,2,0,0,0,0|0,1,0]=3 5081 B9R0.45 CCCCOCNCC#N 7b0d28e2eb54952158d505b5f8770d73 [0,2,0,0,0,0|1,0,0]=3 5082 B9R0.45 CCCCOCNCCBr 8af49a902b107aa7c699883a58b69d70 [0,2,0,0,0,0|1,0,0]=3 5083 B9R0.45 CCCCOCNCCC a731432b21a93145f59a9eee5ade548a [0,2,0,0,0,0|1,0,0]=3 5084 B9R0.45 CCCCOCNCCF 2f03f8995a9a7c86acf72933bf9d05e6 [0,2,0,0,0,0|1,0,0]=3 5085 B9R0.45 CCCCOCNCCI 1814069953d92dfb68f63dfb93029b9b [0,2,0,0,0,0|1,0,0]=3 5086 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [0,2,0,0,0,0|0,0,0]=2 5087 B9R0.45 CCCCOCNCCS 024b51c7b9a7aa53e1b6dec1ea932e98 [0,2,0,0,0,0|0,1,0]=3 5088 B9R0.45 CCCCOCOCC#N e08713610e3991362fbe05c0a2f4b076 [0,2,0,0,0,0|1,0,0]=3 5089 B9R0.45 CCCCOCOCCC bf8c796cfd1bba6ec2766c9548b22b8d [0,2,0,0,0,0|1,0,0]=3 5090 B9R0.45 CCCCOCOCCF 36b5a84efa8f0d923bd230c7ea60f543 [0,2,0,0,0,0|1,0,0]=3 5091 B9R0.45 CCCCOCOCCS b89141989678ee8d6f2313dbbd0de5e4 [0,2,0,0,0,0|0,1,0]=3 5092 B9R0.45 CCCCOCOCOC 562738b96117a23492409bdce5892cd9 [0,2,0,0,0,0|0,0,0]=2 5093 B9R0.45 CCCCSCCOCC 696d57545195b0a32e7d1cb44c602929 [0,2,0,0,0,0|0,1,0]=3 5094 B9R0.45 CCCCSCCOCF 2ebbef8cba35a7b011868c08f9cbced9 [0,2,0,0,0,0|0,1,0]=3 5095 B9R0.45 CCCNCC#CCOC 37a36a9d8f7648efb552822ade0ea11a [0,2,0,0,0,0|1,0,1]=4 5096 B9R0.45 CCCNCCCCC#N e58f5053a708c2b2922849441f0ef1c2 [0,2,0,0,0,0|2,0,0]=4 5097 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [0,2,0,0,0,0|1,0,1]=4 5098 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [0,2,0,0,0,0|2,0,0]=4 5099 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [0,2,0,0,0,0|2,0,0]=4 5100 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [0,2,0,0,0,0|1,0,0]=3 5101 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [0,2,0,0,0,0|1,0,0]=3 5102 B9R0.45 CCCNCCCCON 9849545adc0af6ce550f1dc9bd374ca6 [0,2,0,0,0,0|1,0,0]=3 5103 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [0,2,0,0,0,0|1,1,0]=4 5104 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [0,2,0,0,0,0|2,0,0]=4 5105 B9R0.45 CCCNCCCSCC da25d421765166ddce276c23e4b27d3a [0,2,0,0,0,0|2,0,0]=4 5106 B9R0.45 CCCNCCOCC#N 8fd3df2eb00744df8c68e423e582fd3c [0,2,0,0,0,0|1,0,1]=4 5107 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [0,2,0,0,0,0|0,0,2]=4 5108 B9R0.45 CCCNCCOCCC c9636642ffae561b1adc5cd9ae1dccad [0,2,0,0,0,0|1,0,0]=3 5109 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [0,2,0,0,0,0|0,0,0]=2 5110 B9R0.45 CCCNCCOCCS 22947c1b954d0143303aa38649974027 [0,2,0,0,0,0|0,1,0]=3 5111 B9R0.45 CCCNCCOCOC bd87fbe1594af723cfb8d704107437f4 [0,2,0,0,0,0|2,0,0]=4 5112 B9R0.45 CCCNCCSCCO 1f86c5fc79a4d95fd86404e323963902 [0,2,0,0,0,0|0,1,0]=3 5113 B9R0.45 CCCNCOCCOC 1ff4fcd517daf00624ce18ae1c71f022 [0,2,0,0,0,0|0,0,0]=2 5114 B9R0.45 CCCOCC#CCOC 1536774f0a1de22f9373fd9fdb876fc5 [0,2,0,0,0,0|1,0,1]=4 5115 B9R0.45 CCCOCCCCC#N 609dbdde15359686ba1703d0b40c485a [0,2,0,0,0,0|1,0,0]=3 5116 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [0,2,0,0,0,0|1,0,0]=3 5117 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [0,2,0,0,0,0|1,0,0]=3 5118 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [0,2,0,0,0,0|1,0,0]=3 5119 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [0,2,0,0,0,0|1,0,0]=3 5120 B9R0.45 CCCOCCCNC#N b72420330cbe41e720111600c2eb14c4 [0,2,0,0,0,0|1,0,1]=4 5121 B9R0.45 CCCOCCCNC=O 3f83c74e540093398b86151d188b589d [0,2,0,0,0,0|1,0,1]=4 5122 B9R0.45 CCCOCCCNCC 9c5f9e1a8eab534703971dfcd50dc3a4 [0,2,0,0,0,0|1,0,0]=3 5123 B9R0.45 CCCOCCCNCF 1fa8ea4c53f6c4f7a20f066d63c8c48a [0,2,0,0,0,0|1,0,0]=3 5124 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [0,2,0,0,0,0|1,0,0]=3 5125 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [0,2,0,0,0,0|1,0,0]=3 5126 B9R0.45 CCCOCCCSCC a587632712094e0a386067bb302c3743 [0,2,0,0,0,0|1,0,0]=3 5127 B9R0.45 CCCOCCNCC#N 22fa923b990bda1e86739446708a76af [0,2,0,0,0,0|1,0,1]=4 5128 B9R0.45 CCCOCCNCC=O cdec424df104fd1655eaaf340942285e [0,2,0,0,0,0|1,0,1]=4 5129 B9R0.45 CCCOCCNCCBr 9f86e90a071edec2de61cdfd8199e5e2 [0,2,0,0,0,0|1,0,0]=3 5130 B9R0.45 CCCOCCNCCF 1fb0f4589ef80568471bce7090c2014c [0,2,0,0,0,0|1,0,0]=3 5131 B9R0.45 CCCOCCNCCI 8da2f45844ac2d978f81e207bd134493 [0,2,0,0,0,0|1,0,0]=3 5132 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [0,2,0,0,0,0|1,0,0]=3 5133 B9R0.45 CCCOCCNCCS 92de6dd4d0d6e015f57d04ac9b343cce [0,2,0,0,0,0|1,0,0]=3 5134 B9R0.45 CCCOCCNCOC 8cb8215fa14e9a27a7b43ec8cd96ceda [0,2,0,0,0,0|1,0,0]=3 5135 B9R0.45 CCCOCCNCSC 6bd7872fd3e7ce7d9d4aa75a52835035 [0,2,0,0,0,0|1,0,0]=3 5136 B9R0.45 CCCOCCOCC#N 0b5e5b94d2fb7725a847c4319474ca47 [0,2,0,0,0,0|1,0,1]=4 5137 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [0,2,0,0,0,0|0,0,2]=4 5138 B9R0.45 CCCOCCOCCC 96ef823798ad295a7793168e0a9a50d1 [0,2,0,0,0,0|1,0,0]=3 5139 B9R0.45 CCCOCCOCCF 8a699727db0990fdbea753b75227c0f9 [0,2,0,0,0,0|1,0,0]=3 5140 B9R0.45 CCCOCCOCCS 135d5deeb48c2dba9fda7000503f9b47 [0,2,0,0,0,0|0,1,0]=3 5141 B9R0.45 CCCOCCOCOC d883cdf177c224a93accb6f6a22cfd33 [0,2,0,0,0,0|1,0,0]=3 5142 B9R0.45 CCCOCCOCSC 6797f3697f583a66f6057547c0c4920a [0,2,0,0,0,0|1,0,0]=3 5143 B9R0.45 CCCOCCSCCC ef95f0015148e44bf9c71ec82f7f1f36 [0,2,0,0,0,0|1,0,0]=3 5144 B9R0.45 CCCOCOCCOC f5c30870d8f3cceba2555c383ac9ca27 [0,2,0,0,0,0|0,0,0]=2 5145 B9R0.45 CCCSCCOCC#N 423f161ed3b705253e360ed3c7401551 [0,2,0,0,0,0|1,0,1]=4 5146 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [0,2,0,0,0,0|0,0,2]=4 5147 B9R0.45 CCCSCCOCCF db000028d4bac3c185ca2424cafce511 [0,2,0,0,0,0|1,0,0]=3 5148 B9R0.45 CCCSCCOCCS 839eda13d2fd3df796a512bffa6ac820 [0,2,0,0,0,0|0,1,0]=3 5149 B9R0.45 CCCSCCOCOC a9485f0728bb45c5a3674595a8b65d75 [0,2,0,0,0,0|1,1,0]=4 5150 B9R0.45 CCCSCCOCSC 9c50d16cbbe0474e2767510f403e1fbb [0,2,0,0,0,0|1,1,0]=4 5151 B9R0.45 CCNCCCCCC#N 4fc10c41a4ee7406a902ba3cc176c872 [0,2,0,0,0,0|2,0,0]=4 5152 B9R0.45 CCNCCCCCCCl 59b5285c49bc16b0b152df55e767300a [0,2,0,0,0,0|2,0,0]=4 5153 B9R0.45 CCNCCCCCCO 59b1923e7d0b8671db87a813cf6b4ab5 [0,2,0,0,0,0|1,0,0]=3 5154 B9R0.45 CCNCCCCCOC fc15d1f5a98279f7f6e7e0686f586bf9 [0,2,0,0,0,0|1,0,0]=3 5155 B9R0.45 CCNCCCCSCC f8cf53852eae5c1d0e62790a5b5787e1 [0,2,0,0,0,0|2,0,0]=4 5156 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [0,2,0,0,0,0|0,0,0]=2 5157 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [0,2,0,0,0,0|0,0,0]=2 5158 B9R0.45 CCNCCOCCOC 970ed445813bc968f3810e0a25a03d0b [0,2,0,0,0,0|0,0,0]=2 5159 B9R0.45 CCNCCOCCON d037f668e2ed6f960fc2cbfb57c1b1eb [0,2,0,0,0,0|0,0,0]=2 5160 B9R0.45 CCNCCSSCCO 673e87d46c27e2b73b6faaf5c4761b73 [0,2,0,0,0,0|0,1,0]=3 5161 B9R0.45 CCOCCCCCC#N 9f2d6d43772316271944d8067a0ddcf5 [0,2,0,0,0,0|2,0,0]=4 5162 B9R0.45 CCOCCCCCCF 1581be03b145221792da0e70f0dc7ced [0,2,0,0,0,0|2,0,0]=4 5163 B9R0.45 CCOCCCCCCS 890481a3122baa8d804b207afa67ebc3 [0,2,0,0,0,0|1,1,0]=4 5164 B9R0.45 CCOCCCNCCBr 120fb1bbcef061796cfd615458a1c09b [0,2,0,0,0,0|2,0,0]=4 5165 B9R0.45 CCOCCCNCCF c8ab431a7f192975976a75b85f386784 [0,2,0,0,0,0|2,0,0]=4 5166 B9R0.45 CCOCCCNCCI 186450b645dbfa368730a83689c53490 [0,2,0,0,0,0|2,0,0]=4 5167 B9R0.45 CCOCCCNCCO 2b9ad8b94ae5a803722e62535f4291fd [0,2,0,0,0,0|1,0,0]=3 5168 B9R0.45 CCOCCCNCCS 8829b7afa69dd6274180d17a64733251 [0,2,0,0,0,0|1,1,0]=4 5169 B9R0.45 CCOCCCNCOC 243308dd7027c1d01ea9bef7d5d8999c [0,2,0,0,0,0|2,0,0]=4 5170 B9R0.45 CCOCCCOCC#N f3983c7c4c7b801ade012d03b9dbda0a [0,2,0,0,0,0|1,0,1]=4 5171 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [0,2,0,0,0,0|0,0,2]=4 5172 B9R0.45 CCOCCCOCCF 714535e9c21efd3dc0f9881edb097992 [0,2,0,0,0,0|1,0,0]=3 5173 B9R0.45 CCOCCCOCCS 3a94e0b4ae2eb58123f7cf02194f57c1 [0,2,0,0,0,0|0,1,0]=3 5174 B9R0.45 CCOCCCOCOC 49ca5418b13db09e21d4436e86edc1d1 [0,2,0,0,0,0|2,0,0]=4 5175 B9R0.45 CCOCCCOCSC 5933fe00c4fae79c8d73e60929d6345a [0,2,0,0,0,0|2,0,0]=4 5176 B9R0.45 CCOCCNC/C=C\O 0aa78a5fbd95032696d68861b712e14e [0,2,0,0,0,0|1,0,1]=4 5177 B9R0.45 CCOCCNCCC#N 3c49a91609de62b6d2af4384f0aaccfc [0,2,0,0,0,0|2,0,0]=4 5178 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [0,2,0,0,0,0|1,0,1]=4 5179 B9R0.45 CCOCCNCCCCl 726d5a6adc61ac4487134bb97ac4e534 [0,2,0,0,0,0|2,0,0]=4 5180 B9R0.45 CCOCCNCCCF a9abbaefc89944ba30d9f007b28e95eb [0,2,0,0,0,0|2,0,0]=4 5181 B9R0.45 CCOCCNCCCO f920b2cdd5960150c1761b62d58446b4 [0,2,0,0,0,0|1,0,0]=3 5182 B9R0.45 CCOCCNCCCS 54e54a642f3b0919395721cfe7d34325 [0,2,0,0,0,0|1,1,0]=4 5183 B9R0.45 CCOCCNCCOC 75c2abf510459240d25a125a6ea3ce5b [0,2,0,0,0,0|1,0,0]=3 5184 B9R0.45 CCOCCNCCON 62df95e9f6e4021a86c83d73768be514 [0,2,0,0,0,0|1,0,0]=3 5185 B9R0.45 CCOCCNCCSC aba0090a72e2c2a08c16d1f995164dc4 [0,2,0,0,0,0|1,1,0]=4 5186 B9R0.45 CCOCCNCOCC d316e3ab673ded4bd66aaa068b6c534d [0,2,0,0,0,0|2,0,0]=4 5187 B9R0.45 CCOCCOC/C=C/Cl d21ca85748d49e963ec009221e6c538f [0,2,0,0,0,0|1,0,1]=4 5188 B9R0.45 CCOCCOC/C=C\Cl 4e3f5a0ae37241c674019778d089ce1a [0,2,0,0,0,0|1,0,1]=4 5189 B9R0.45 CCOCCOCC#CI cb04615b9919a1536f189562976df029 [0,2,0,0,0,0|1,0,1]=4 5190 B9R0.45 CCOCCOCC=CCl 41d7c42e7579fc369e224c376b5ea081 [0,2,0,0,0,0|1,0,1]=4 5191 B9R0.45 CCOCCOCCC#N 06a1e3828a166d2e7992ec288ca8b689 [0,2,0,0,0,0|1,0,0]=3 5192 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [0,2,0,0,0,0|0,0,1]=3 5193 B9R0.45 CCOCCOCCCF 6c21ca5dfb17a6c912498290c2d5e401 [0,2,0,0,0,0|1,0,0]=3 5194 B9R0.45 CCOCCOCCCS 5b45dac295981c60698d04d6ce0eb913 [0,2,0,0,0,0|0,1,0]=3 5195 B9R0.45 CCOCCOCCOC 47de0acc7a7446e675a0f9ec56feeb8a [0,2,0,0,0,0|0,0,0]=2 5196 B9R0.45 CCOCCOCCSC 507e29f582b578a744efa276a08afe49 [0,2,0,0,0,0|0,1,0]=3 5197 B9R0.45 CCOCCOCOCC cbd5723652bee0a3b18ace1025e1d4ef [0,2,0,0,0,0|1,0,0]=3 5198 B9R0.45 CCOCCOCSC#N 584e962cb7a3ab94b127cd012c7b18cb [0,2,0,0,0,0|1,0,1]=4 5199 B9R0.45 CCOCNCC#CCO 3c6bb7a3ee8b0cfbd4820499c4da432c [0,2,0,0,0,0|1,0,1]=4 5200 B9R0.45 CCOCNCCCCCl 4584bfc607e6e62469bebb96fe236504 [0,2,0,0,0,0|2,0,0]=4 5201 B9R0.45 CCOCNCCCCO 8a098d07046f425046fb40aa034ce721 [0,2,0,0,0,0|1,0,0]=3 5202 B9R0.45 CCOCNCCCCS 8239e5b01a8402ac60489c45056df255 [0,2,0,0,0,0|1,1,0]=4 5203 B9R0.45 CCOCNCCCOC 2d6757fddb21233ca70829ffaa9b46d4 [0,2,0,0,0,0|2,0,0]=4 5204 B9R0.45 CCOCNCCCSC e0a66c2e55e14dad277d7193b451e432 [0,2,0,0,0,0|2,0,0]=4 5205 B9R0.45 CCOCNCCSCC af9ae005bd309b67abf07c6e9184eaa0 [0,2,0,0,0,0|2,0,0]=4 5206 B9R0.45 CCOCOCCCC#N 28769ece51c69011a0eb1109d82ba377 [0,2,0,0,0,0|1,0,1]=4 5207 B9R0.45 CCOCOCCCC=O 8ebce82bd916a55c6d87bc905a09f51f [0,2,0,0,0,0|1,0,1]=4 5208 B9R0.45 CCOCOCCCCF 0eb4a4f31028b7065d9297c42cd577e6 [0,2,0,0,0,0|1,0,0]=3 5209 B9R0.45 CCOCOCCCCS fdf282ee46f26d46746bb3586f789932 [0,2,0,0,0,0|1,0,0]=3 5210 B9R0.45 CCOCOCCCOC 24c9ae5c69bc9210f5986ab438ee08a2 [0,2,0,0,0,0|1,0,0]=3 5211 B9R0.45 CCOCOCCCSC cdc0b01600dd841ed7ed121efe03e346 [0,2,0,0,0,0|1,0,0]=3 5212 B9R0.45 CCOCOCCNC=O 1f04069abdc79a13f2b31dcce221deef [0,2,0,0,0,0|1,0,1]=4 5213 B9R0.45 CCOCOCCOC=O 3f9d016c5825b4d3c13708d373f1904b [0,2,0,0,0,0|1,0,0]=3 5214 B9R0.45 CCOCOCCSCC be0d66b1418e2a82034d9b99173dcb2a [0,2,0,0,0,0|1,0,0]=3 5215 B9R0.45 CCSCCCCNCF d0ffe0fef83ebc9d8946061c82c152d3 [0,2,0,0,0,0|2,0,0]=4 5216 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [0,2,0,0,0,0|1,0,0]=3 5217 B9R0.45 CCSCCCNCCBr b1c1b2cf9daedf772763ed40c3d8bcab [0,2,0,0,0,0|2,0,0]=4 5218 B9R0.45 CCSCCCNCCF f4597b45c8bf53bfcefd8c1aa4b7549c [0,2,0,0,0,0|2,0,0]=4 5219 B9R0.45 CCSCCCNCCI 80ef31e79aa01c131e6cf7c675a312af [0,2,0,0,0,0|2,0,0]=4 5220 B9R0.45 CCSCCCNCCO b73a81c9666f167eb7df0d9e4e845db9 [0,2,0,0,0,0|1,0,0]=3 5221 B9R0.45 CCSCCCNCCS 4c3310ae90eefdb6c1eeb1f81dc881e4 [0,2,0,0,0,0|1,1,0]=4 5222 B9R0.45 CCSCCCOCC#N bd72d7d3675d36aec96e7268b014e905 [0,2,0,0,0,0|1,0,1]=4 5223 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [0,2,0,0,0,0|0,0,2]=4 5224 B9R0.45 CCSCCCOCCF ea17b98cdecfe1376818aaae8fa7edc5 [0,2,0,0,0,0|1,0,0]=3 5225 B9R0.45 CCSCCCOCCS a30e9d31c5017336afd5e6cff0a5615d [0,2,0,0,0,0|0,1,0]=3 5226 B9R0.45 CCSCCCOCOC 5cadd01a1a128aae76cfa321e1740b2e [0,2,0,0,0,0|2,0,0]=4 5227 B9R0.45 CCSCCCOCSC c724d727513d8badfd80e3cc53a1bf48 [0,2,0,0,0,0|2,0,0]=4 5228 B9R0.45 CCSCCNC/C=C\O 25741737a09ab9cf25d1e1da49f5fc71 [0,2,0,0,0,0|1,0,1]=4 5229 B9R0.45 CCSCCNCCC#N 044cde7ee9f7eb0d0b98cd2b513cfe85 [0,2,0,0,0,0|2,0,0]=4 5230 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [0,2,0,0,0,0|1,0,1]=4 5231 B9R0.45 CCSCCNCCCCl 2d860ade44d9cc46751c241450bb61dc [0,2,0,0,0,0|2,0,0]=4 5232 B9R0.45 CCSCCNCCCF 038adb5a6b34bfccdb30b0743d1fc5dd [0,2,0,0,0,0|2,0,0]=4 5233 B9R0.45 CCSCCNCCCO d094498045f2b61ea374614f3a36e63e [0,2,0,0,0,0|1,0,0]=3 5234 B9R0.45 CCSCCNCCCS 9e9e68ace044ac8ef08f3a52efa39027 [0,2,0,0,0,0|1,1,0]=4 5235 B9R0.45 CCSCCNCCOC 86cd4ec12f4d8a6c1f9298f7f7dcd921 [0,2,0,0,0,0|1,0,0]=3 5236 B9R0.45 CCSCCNCCON 657d5675eb1b439269df280727c35c2b [0,2,0,0,0,0|1,0,0]=3 5237 B9R0.45 CCSCCNCCSC eabdf826a471ef5724857c4f4906685a [0,2,0,0,0,0|1,1,0]=4 5238 B9R0.45 CCSCCOC/C=C/Cl 6cfc629a0a39bc85947360638f1f00ea [0,2,0,0,0,0|1,0,1]=4 5239 B9R0.45 CCSCCOC/C=C\Cl a1b2160a30b04ec1c30eb2293d1edd43 [0,2,0,0,0,0|1,0,1]=4 5240 B9R0.45 CCSCCOCC#CI 100ab62f4fd5facbba6ee65df687bbf7 [0,2,0,0,0,0|1,0,1]=4 5241 B9R0.45 CCSCCOCC=CCl faebf2045f6536596b25d52101ab8d90 [0,2,0,0,0,0|1,0,1]=4 5242 B9R0.45 CCSCCOCCC#N eba4adf70853f3320b1e57bf39ef5474 [0,2,0,0,0,0|1,0,0]=3 5243 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [0,2,0,0,0,0|0,0,1]=3 5244 B9R0.45 CCSCCOCCCF 609cc5385915dd1e7a7c149cae7bfc22 [0,2,0,0,0,0|1,0,0]=3 5245 B9R0.45 CCSCCOCCCS f00c1e7677c53c3d661b7a5f0701f1fc [0,2,0,0,0,0|0,1,0]=3 5246 B9R0.45 CCSCCOCCOC 2b34995cce28f50875bf8f33b2ea66ef [0,2,0,0,0,0|0,0,0]=2 5247 B9R0.45 CCSCCOCCSC dff42bcd24538ed6968a0ea75d545350 [0,2,0,0,0,0|0,1,0]=3 5248 B9R0.45 CCSCCOCSC#N da5836b36346a808c1b1c315b994d06c [0,2,0,0,0,0|1,0,1]=4 5249 B9R0.45 COCC#CCNCCO 9fe1118b1b3c412c44715b356f33b25d [0,2,0,0,0,0|1,0,1]=4 5250 B9R0.45 COCC#CCOCCS 7f19d6eb80e8a2d93bcd56e79ddda023 [0,2,0,0,0,0|0,1,1]=4 5251 B9R0.45 COCCCCCNCF 408761897685b9e7e9043c28034b8202 [0,2,0,0,0,0|2,0,0]=4 5252 B9R0.45 COCCCCCNCO bcbefdff7df1910d96b91030fdd66d71 [0,2,0,0,0,0|1,0,0]=3 5253 B9R0.45 COCCCCNCCBr 97767679fa62d1a1b91d15f80eddb1d6 [0,2,0,0,0,0|2,0,0]=4 5254 B9R0.45 COCCCCNCCF ba2ac83f2fcd35fabef5cdb647f80efd [0,2,0,0,0,0|2,0,0]=4 5255 B9R0.45 COCCCCNCCI 778c59a999b7783df4b42505b3a435d0 [0,2,0,0,0,0|2,0,0]=4 5256 B9R0.45 COCCCCNCCO c64f84dda1c7e1a3b83c8677baf02563 [0,2,0,0,0,0|1,0,0]=3 5257 B9R0.45 COCCCCNCCS ddae4248a4aad5b190586bd8b6b12b9d [0,2,0,0,0,0|1,1,0]=4 5258 B9R0.45 COCCCCNCOC 67b615b8140985a10b44d49626d657d8 [0,2,0,0,0,0|2,0,0]=4 5259 B9R0.45 COCCCCNCSC 5c83e7734059a90ac65b14037a0640f2 [0,2,0,0,0,0|2,0,0]=4 5260 B9R0.45 COCCCCOCC#N 60e7cf89581151a6b1d70e478be465d5 [0,2,0,0,0,0|1,0,1]=4 5261 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [0,2,0,0,0,0|0,0,2]=4 5262 B9R0.45 COCCCCOCCF 8d811c473848c1b9e465e0faa6d2b7f8 [0,2,0,0,0,0|1,0,0]=3 5263 B9R0.45 COCCCCOCCS 9c136081df91fabb4e2b6ddd13f67835 [0,2,0,0,0,0|0,1,0]=3 5264 B9R0.45 COCCCCOCOC 079bab4bc7a5d63b09a4a47180aaff22 [0,2,0,0,0,0|2,0,0]=4 5265 B9R0.45 COCCCCOCSC b96665b11f1788b8d409908b6cf086a3 [0,2,0,0,0,0|2,0,0]=4 5266 B9R0.45 COCCCNC/C=C\O 7a8902930f1f9f59b8140ba9fba85efe [0,2,0,0,0,0|1,0,1]=4 5267 B9R0.45 COCCCNCCC#N ae4e52692a8df616c649f9dae0151bcb [0,2,0,0,0,0|2,0,0]=4 5268 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [0,2,0,0,0,0|1,0,1]=4 5269 B9R0.45 COCCCNCCCCl 9705b394217ae148696e911425352b68 [0,2,0,0,0,0|2,0,0]=4 5270 B9R0.45 COCCCNCCCF 8df049e100a0386cf0d931a2444deb4c [0,2,0,0,0,0|2,0,0]=4 5271 B9R0.45 COCCCNCCCO 80827af578dfd9221e88944d50b47203 [0,2,0,0,0,0|1,0,0]=3 5272 B9R0.45 COCCCNCCCS 240c33c55966b2ccef0c7ff92e4b95f8 [0,2,0,0,0,0|1,1,0]=4 5273 B9R0.45 COCCCNCCOC 6bf3edf2364e9dd1912a1db5e7adaa8b [0,2,0,0,0,0|1,0,0]=3 5274 B9R0.45 COCCCNCCON 1c2356a0d0b9a59cffe01a1906b74b48 [0,2,0,0,0,0|1,0,0]=3 5275 B9R0.45 COCCCNCCSC 6bbd1571862ae642047d09ba11e4e807 [0,2,0,0,0,0|1,1,0]=4 5276 B9R0.45 COCCCOC/C=C/Cl a8739e4e0c80c90fd23ea74e6e304e49 [0,2,0,0,0,0|1,0,1]=4 5277 B9R0.45 COCCCOC/C=C\Cl ac9aa020622232eaf51e601118f65e0a [0,2,0,0,0,0|1,0,1]=4 5278 B9R0.45 COCCCOCC#CI d601282b3da0f1997283a40ae0245806 [0,2,0,0,0,0|1,0,1]=4 5279 B9R0.45 COCCCOCC=CCl d6219d0127e3cc631360d92b7573b59b [0,2,0,0,0,0|1,0,1]=4 5280 B9R0.45 COCCCOCCC#N 21b1d0c227b9786a4210f1cd5d0bedf2 [0,2,0,0,0,0|1,0,0]=3 5281 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [0,2,0,0,0,0|0,0,1]=3 5282 B9R0.45 COCCCOCCCF be4a7b6bffc7bdbc6be013e25622971e [0,2,0,0,0,0|1,0,0]=3 5283 B9R0.45 COCCCOCCCS d2c23fd40bfcae6efbc6c9cb789a4072 [0,2,0,0,0,0|0,1,0]=3 5284 B9R0.45 COCCCOCCOC 8d4448045401a91e89d55c0e8329b120 [0,2,0,0,0,0|0,0,0]=2 5285 B9R0.45 COCCCOCCSC 548dd75bb9b1b4662b5fbabbfd265b58 [0,2,0,0,0,0|0,1,0]=3 5286 B9R0.45 COCCCOCSC#N 516d257335efc170f9bf661d7768b60a [0,2,0,0,0,0|1,0,1]=4 5287 B9R0.45 COCCNCC#CCO c4634b9a8b4056d0b085971f5a524114 [0,2,0,0,0,0|1,0,1]=4 5288 B9R0.45 COCCNCCCC#N ca01e18ae3e3c9f523dc2de947246c9a [0,2,0,0,0,0|1,0,1]=4 5289 B9R0.45 COCCNCCCC=O 8de8c440c27ce646b454682cc54ec04c [0,2,0,0,0,0|1,0,1]=4 5290 B9R0.45 COCCNCCCCCl 44415ce691540b922e870f391fa4cb8e [0,2,0,0,0,0|1,0,0]=3 5291 B9R0.45 COCCNCCCCF 1683834809cf87907ebfbdf3425bf892 [0,2,0,0,0,0|1,0,0]=3 5292 B9R0.45 COCCNCCCCO 98a0ba2b4e7cfdb77ca7eb5bd158bcce [0,2,0,0,0,0|1,0,0]=3 5293 B9R0.45 COCCNCCCCS 27990f0eb4b3533c044a30987b02ff92 [0,2,0,0,0,0|1,0,0]=3 5294 B9R0.45 COCCNCCCSC 5acc6518722dda23f0e833b75bcb4d43 [0,2,0,0,0,0|1,0,0]=3 5295 B9R0.45 COCCOCCCC#N c7255805e22bdb55165c0c43583322cd [0,2,0,0,0,0|0,0,1]=3 5296 B9R0.45 COCCOCCCC=O 4eced31e0a91724ea66865665efb8a73 [0,2,0,0,0,0|0,0,1]=3 5297 B9R0.45 COCCOCCCCF b20408ace74068d11d9a143f8e9c3002 [0,2,0,0,0,0|0,0,0]=2 5298 B9R0.45 COCCOCCCCS e5e601e78ac3a0dacaff43ddb14a90d5 [0,2,0,0,0,0|0,0,0]=2 5299 B9R0.45 COCCOCCCSC dab5475c0c46b9f6c0451d35e0188c9a [0,2,0,0,0,0|0,0,0]=2 5300 B9R0.45 COCCOCCNC#N f1a1a4794779f1f4b41bd2e90e339eef [0,2,0,0,0,0|1,0,1]=4 5301 B9R0.45 COCCOCCNC=O 5e7b5dc6a2bdf3c54f930b381d1b5f5a [0,2,0,0,0,0|1,0,1]=4 5302 B9R0.45 COCCOCCNCF 4184f3076bfe4a3b080752e902f4d278 [0,2,0,0,0,0|1,0,0]=3 5303 B9R0.45 COCCOCCNCO 05973b287fa9a329d3342646c56537ea [0,2,0,0,0,0|1,0,0]=3 5304 B9R0.45 COCCOCCOC=O e4b02c69ad76bfd6e69932198cedf7cf [0,2,0,0,0,0|1,0,0]=3 5305 B9R0.45 COCCOCCOCF d7dc49563384bf1cd8835cae9d71949a [0,2,0,0,0,0|1,0,0]=3 5306 B9R0.45 COCCOCNCC#N da7154a8728d7d844b2d1618378ee68a [0,2,0,0,0,0|1,0,1]=4 5307 B9R0.45 COCCOCNCCBr bb68ea969e011efa23255af82447b2ee [0,2,0,0,0,0|1,0,0]=3 5308 B9R0.45 COCCOCNCCF 96a7536c8ece893bfd1b1500fc4f7c9d [0,2,0,0,0,0|1,0,0]=3 5309 B9R0.45 COCCOCNCCI 6b491d1b17277007cdbbaaf0be689c42 [0,2,0,0,0,0|1,0,0]=3 5310 B9R0.45 COCCOCNCCO 1a3b2f737d2297ee8b3affcbcdf81bf8 [0,2,0,0,0,0|1,0,0]=3 5311 B9R0.45 COCCOCNCCS 198c285c2d39a6ace0ff6ca005e28655 [0,2,0,0,0,0|1,0,0]=3 5312 B9R0.45 COCCOCOCC#N 8b80e5375a3426ef10da5f5c14afcf80 [0,2,0,0,0,0|1,0,1]=4 5313 B9R0.45 COCCOCOCCF ef7e746a1f9ca3413b6756f9bffe57ba [0,2,0,0,0,0|1,0,0]=3 5314 B9R0.45 COCCOCOCCS e68809ea3ecbf581c204e2a292ab0166 [0,2,0,0,0,0|0,1,0]=3 5315 B9R0.45 COCCOCOCOC ad5a9449c39aaabd9e59801072229258 [0,2,0,0,0,0|1,0,0]=3 5316 B9R0.45 COCNCCCCCCl a0dd12d6c92889ef5c9dbc7111355b22 [0,2,0,0,0,0|2,0,0]=4 5317 B9R0.45 COCNCCCCCO 1110af8acba3f65702890e8caffb75f5 [0,2,0,0,0,0|1,0,0]=3 5318 B9R0.45 COCNCCCCSC 3efcc2c8f87ad2a9616d23644d1eec36 [0,2,0,0,0,0|2,0,0]=4 5319 B9R0.45 COCNCCOCCO 1da88cf2a1c2147369d2abddbd3488c7 [0,2,0,0,0,0|0,0,0]=2 5320 B9R0.45 COCNCCOCCS a52dfdb15d7bf72937947406a13a67ff [0,2,0,0,0,0|0,1,0]=3 5321 B9R0.45 COCNCCSCCO da2de3f2060d714537b5c454e71c23fe [0,2,0,0,0,0|0,1,0]=3 5322 B9R0.45 COCOCCCCC#N 18c7d924db114133854675f47f4da126 [0,2,0,0,0,0|2,0,0]=4 5323 B9R0.45 COCOCCCCC=O 1e9f4f95dc82f1192a72acc421b3ceb4 [0,2,0,0,0,0|2,0,0]=4 5324 B9R0.45 COCOCCCCCF 552d473a9e75c6c60097fb0f63ff4725 [0,2,0,0,0,0|2,0,0]=4 5325 B9R0.45 COCOCCCCSC 5a8925a203895139b02568d02e8838f1 [0,2,0,0,0,0|2,0,0]=4 5326 B9R0.45 COCOCCNCCBr 9c75aa8d101a5f1fbaaa05ada1cb044a [0,2,0,0,0,0|2,0,0]=4 5327 B9R0.45 COCOCCNCCF f147d28bbe3f431a0535d07cf148dc8e [0,2,0,0,0,0|2,0,0]=4 5328 B9R0.45 COCOCCNCCI a835a5f474ce791eee4ae4c46b7e16cd [0,2,0,0,0,0|2,0,0]=4 5329 B9R0.45 COCOCCNCCO 212d5102cb8e584987c2fdeefb400141 [0,2,0,0,0,0|1,0,0]=3 5330 B9R0.45 COCOCCNCCS 542d7f377718945a3bc0f14e819e1bf6 [0,2,0,0,0,0|1,1,0]=4 5331 B9R0.45 COCOCCOCC#N c72c678f8e0ca03370dd6276bcae1b61 [0,2,0,0,0,0|1,0,1]=4 5332 B9R0.45 COCOCCOCC=O 56cd8f5e42e3aae0878d43f728c9efb2 [0,2,0,0,0,0|0,0,2]=4 5333 B9R0.45 COCOCCOCCF 9aee2416428eb180da451bea42ce9f58 [0,2,0,0,0,0|1,0,0]=3 5334 B9R0.45 COCOCCOCCS 44c8882fdca4aa5f95324eac1e477cc5 [0,2,0,0,0,0|0,1,0]=3 5335 B9R0.45 COCOCCOCOC 89187010fa6be2433e0b3126ef82b60d [0,2,0,0,0,0|2,0,0]=4 5336 B9R0.45 CSCCCCNCCF eb4285f3465d50eb1499c52088cbf457 [0,2,0,0,0,0|2,0,0]=4 5337 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [0,2,0,0,0,0|1,0,0]=3 5338 B9R0.45 CSCCCCNCCS 682e8882989090aad15ae2199ea00079 [0,2,0,0,0,0|1,1,0]=4 5339 B9R0.45 CSCCCCOCC#N 4ab88cc0a26ae35d5aff39bc018b3a26 [0,2,0,0,0,0|1,0,1]=4 5340 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [0,2,0,0,0,0|0,0,2]=4 5341 B9R0.45 CSCCCCOCCF aac887e51d5db9e5aa39f268153a3254 [0,2,0,0,0,0|1,0,0]=3 5342 B9R0.45 CSCCCCOCCS 33de980d5fadef5f1403ffcc395bac65 [0,2,0,0,0,0|0,1,0]=3 5343 B9R0.45 CSCCCCOCSC 417291c6267fa98c1c8e9917f938c6b4 [0,2,0,0,0,0|2,0,0]=4 5344 B9R0.45 CSCCCNC/C=C\O e7fdc99181aca5fb372020cfd9c7eca5 [0,2,0,0,0,0|1,0,1]=4 5345 B9R0.45 CSCCCNCCC#N f059cea59380bc5811ad49a4c94a3714 [0,2,0,0,0,0|2,0,0]=4 5346 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [0,2,0,0,0,0|1,0,1]=4 5347 B9R0.45 CSCCCNCCCCl 7f4c78f16ac095cee3176ca12fcee4a0 [0,2,0,0,0,0|2,0,0]=4 5348 B9R0.45 CSCCCNCCCF 4052620c5bdf251b957b5f3bde50156a [0,2,0,0,0,0|2,0,0]=4 5349 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [0,2,0,0,0,0|1,0,0]=3 5350 B9R0.45 CSCCCNCCCS 97057dd7d935d2f95b3ee1000cbb184d [0,2,0,0,0,0|1,1,0]=4 5351 B9R0.45 CSCCCNCCON 6126a4c2e6e275cfdd0a038c21356ed1 [0,2,0,0,0,0|1,0,0]=3 5352 B9R0.45 CSCCCNCCSC 2f06fa7b97b4146d991f471dbf0a7c93 [0,2,0,0,0,0|1,1,0]=4 5353 B9R0.45 CSCCCOC/C=C/Cl 953110c37c8f1d696f3b3d249468310d [0,2,0,0,0,0|1,0,1]=4 5354 B9R0.45 CSCCCOC/C=C\Cl e6fa9fc6ddc50d0b38473ef87e87ee22 [0,2,0,0,0,0|1,0,1]=4 5355 B9R0.45 CSCCCOCC#CI 70b1ff67bfba9465d11785df211eb4cc [0,2,0,0,0,0|1,0,1]=4 5356 B9R0.45 CSCCCOCC=CCl 3c527ae5a2db076ec65c9486dca2bfef [0,2,0,0,0,0|1,0,1]=4 5357 B9R0.45 CSCCCOCCC#N 69d7956b0d843aa67dc433be64c64a1c [0,2,0,0,0,0|1,0,0]=3 5358 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [0,2,0,0,0,0|0,0,1]=3 5359 B9R0.45 CSCCCOCCCF cb30debe154d4a7b3005d488cfb6fa61 [0,2,0,0,0,0|1,0,0]=3 5360 B9R0.45 CSCCCOCCCS 0391bd7bea00218f448987cd36d5692b [0,2,0,0,0,0|0,1,0]=3 5361 B9R0.45 CSCCCOCCSC 9150bed872b2d0fc2d95b9fd47ac634b [0,2,0,0,0,0|0,1,0]=3 5362 B9R0.45 CSCCCOCSC#N 0728d537fe97caa68e9afdaeaafa7f99 [0,2,0,0,0,0|1,0,1]=4 5363 B9R0.45 CSCCNCC#CCO d4515ef764cabe7e0eb6af0a14b86548 [0,2,0,0,0,0|1,0,1]=4 5364 B9R0.45 CSCCNCCCCCl 85af5239132b11d8e5818503435dc73b [0,2,0,0,0,0|1,1,0]=4 5365 B9R0.45 CSCCNCCCCF 67050d45317e3fec381fef45ca9c6729 [0,2,0,0,0,0|1,1,0]=4 5366 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [0,2,0,0,0,0|1,0,0]=3 5367 B9R0.45 CSCCNCCCCS ed99b0ba4147c99a639241029e1f64f8 [0,2,0,0,0,0|1,1,0]=4 5368 B9R0.45 CSCCOCCCC#N 75042e2c1d7f48116b05e0b5336fece7 [0,2,0,0,0,0|0,1,1]=4 5369 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [0,2,0,0,0,0|0,1,1]=4 5370 B9R0.45 CSCCOCCCCF b0c90fda651092e4188cbba95d298c71 [0,2,0,0,0,0|0,1,0]=3 5371 B9R0.45 CSCCOCCCCS 7bc51830898adb55a997ac08cfc7c8a8 [0,2,0,0,0,0|0,1,0]=3 5372 B9R0.45 CSCCOCCNC=O 45e773006217e1f2d795f168e07555a6 [0,2,0,0,0,0|1,0,1]=4 5373 B9R0.45 CSCCOCCOC=O 40e891e92003ea888885a83977e0fbb7 [0,2,0,0,0,0|1,0,0]=3 5374 B9R0.45 CSCNCCCCCCl 0b603e33beb081e9c74bb4afe9d4d0e7 [0,2,0,0,0,0|2,0,0]=4 5375 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [0,2,0,0,0,0|1,0,0]=3 5376 B9R0.45 CSCNCCOCCO 3f6d9b2c1977cf4d4b077513e63071bc [0,2,0,0,0,0|0,0,0]=2 5377 B9R0.45 CSCNCCOCCS 33fad969821fd12e6caa1a5cd9bec22c [0,2,0,0,0,0|0,1,0]=3 5378 B9R0.45 CSCNCCSCCO 99a783dc0b037d6b87258665dff4824c [0,2,0,0,0,0|0,1,0]=3 5379 B9R0.45 CSCOCCCCC#N 46997875275e2015c4bff3c116274b7c [0,2,0,0,0,0|2,0,0]=4 5380 B9R0.45 CSCOCCCCC=O e279a2cb99bc97e67b45db8cbfac7c12 [0,2,0,0,0,0|2,0,0]=4 5381 B9R0.45 CSCOCCOCC=O bffa0b86bda7eab4537345618cfe61ad [0,2,0,0,0,0|0,0,2]=4 5382 B9R0.45 CSCOCCOCCF c64460d5bd4c0b4af58f9baf03d2b438 [0,2,0,0,0,0|1,0,0]=3 5383 B9R0.45 CSCOCCOCCS 2345b8a16a989a7e86f7ab3a0f843f58 [0,2,0,0,0,0|0,1,0]=3 5384 B9R0.45 FCCCCCCOCF 7fc0be4fea9d788b90d0660a719e3795 [0,2,0,0,0,0|2,0,0]=4 5385 B9R0.45 FCCCCCNCCBr dce5795b6e362f6f81c2b4c1b6dd1f9d [0,2,0,0,0,0|2,0,0]=4 5386 B9R0.45 FCCCCCNCCF 7fe63aca5cdc241e7c8cd453bf41d70b [0,2,0,0,0,0|2,0,0]=4 5387 B9R0.45 FCCCCCNCCI ca96c77768ae738bd37fab0686d3adba [0,2,0,0,0,0|2,0,0]=4 5388 B9R0.45 FCCCCCNCCS 39d9c748010810332a70db8f544b7153 [0,2,0,0,0,0|1,1,0]=4 5389 B9R0.45 FCCCCCOCCF 730daee247e71afcf11a456cbc27167d [0,2,0,0,0,0|1,0,0]=3 5390 B9R0.45 FCCCCCOCCS c444156405502fbe4bce7524fa0a32df [0,2,0,0,0,0|0,1,0]=3 5391 B9R0.45 FCCCCNCCCCl 12fed9dc35508f2802d02f716f90f8f5 [0,2,0,0,0,0|2,0,0]=4 5392 B9R0.45 FCCCCOC/C=C/Cl 8eb11471f2c3886d1faebc4a84a8f6cc [0,2,0,0,0,0|1,0,1]=4 5393 B9R0.45 FCCCCOC/C=C\Cl a7ea56c1fc92c39de2b154feb4ab02c9 [0,2,0,0,0,0|1,0,1]=4 5394 B9R0.45 FCCCCOCC#CI 921924857a3cd6705c16d6bde0250608 [0,2,0,0,0,0|1,0,1]=4 5395 B9R0.45 FCCCCOCC=CCl ed0229fac74ff2828cf030685940c5a5 [0,2,0,0,0,0|1,0,1]=4 5396 B9R0.45 FCCCCOCCCF ff91a2a5bb12ba135ba2bf8e130183dd [0,2,0,0,0,0|1,0,0]=3 5397 B9R0.45 FCCCCOCCCS 574abf66c2026bf7345e52ca658fb3fe [0,2,0,0,0,0|0,1,0]=3 5398 B9R0.45 FCCCNCCCCCl 424fa896e39e4b23a0d73accaabe0334 [0,2,0,0,0,0|2,0,0]=4 5399 B9R0.45 FCCCNCCCCS b6502df80635be2247403e587a33bec3 [0,2,0,0,0,0|1,1,0]=4 5400 B9R0.45 FCCCOCCCCS 7010b785144f3aae609eeb67e5b5fb09 [0,2,0,0,0,0|1,0,0]=3 5401 B9R0.45 FCCNCCCCCCl a79b69a2d6f82399364dc9e942b39241 [0,2,0,0,0,0|2,0,0]=4 5402 B9R0.45 FCCNCCOCCS 3314ebd7450671b3b8b34fbaac6d39ba [0,2,0,0,0,0|0,1,0]=3 5403 B9R0.45 FCCOCCOCCF 8f6ea9a62de1a45574c0e56ee3b70fed [0,2,0,0,0,0|1,0,0]=3 5404 B9R0.45 FCCOCCOCCS 03a0c1ab5f8c43f6f1d02cab6d014ff3 [0,2,0,0,0,0|0,1,0]=3 5405 B9R0.45 FCNCCCCCCCl 78c6929f3129eb6d06ca105ce320613c [0,2,0,0,0,0|2,0,0]=4 5406 B9R0.45 FCOCCCCCCS bc16a0c993f73bdeec29888445293583 [0,2,0,0,0,0|1,1,0]=4 5407 B9R0.45 N#CCCCCCNCO 8cf35c2b063418dea5bd7ac578a32bab [0,2,0,0,0,0|1,0,1]=4 5408 B9R0.45 N#CCCCCNCCBr 35a3e3710d2cdcf7f9084d5a40a04fd0 [0,2,0,0,0,0|2,0,0]=4 5409 B9R0.45 N#CCCCCNCCF 08195a89e1b78739107a0afce2a2ea85 [0,2,0,0,0,0|2,0,0]=4 5410 B9R0.45 N#CCCCCNCCI 6cafebc4561bdcc3514e53c6ea2bed0c [0,2,0,0,0,0|2,0,0]=4 5411 B9R0.45 N#CCCCCNCCO b36c4ca39c56ea673027c137565d38af [0,2,0,0,0,0|1,0,0]=3 5412 B9R0.45 N#CCCCCNCCS 4a8127ed4a2795dc6b87b9d1b60e54d4 [0,2,0,0,0,0|1,1,0]=4 5413 B9R0.45 N#CCCCCOCC#N d89909d668067d05d516bdb0d4e6008f [0,2,0,0,0,0|1,0,1]=4 5414 B9R0.45 N#CCCCCOCC=O a86c5ccc5668a8da4e1062f9b8cd25d8 [0,2,0,0,0,0|0,0,2]=4 5415 B9R0.45 N#CCCCCOCCF f44af2ffdea357fd9b68d0cca636d8df [0,2,0,0,0,0|1,0,0]=3 5416 B9R0.45 N#CCCCCOCCS 3dace2b28ca746633fb2e632622bb6de [0,2,0,0,0,0|0,1,0]=3 5417 B9R0.45 N#CCCCNCCCO 405707629da08b0419a19bb721585805 [0,2,0,0,0,0|1,0,1]=4 5418 B9R0.45 N#CCCCNCCON 69798d5e57ef7bb05ea5cfacf5316c06 [0,2,0,0,0,0|1,0,1]=4 5419 B9R0.45 N#CCCCOCCC#N 4dcfba85109d18d4b0d813859e2a4fb3 [0,2,0,0,0,0|1,0,1]=4 5420 B9R0.45 N#CCCCOCCC=O 0a6df9c30b4a59527dbedb9f11421c96 [0,2,0,0,0,0|0,0,2]=4 5421 B9R0.45 N#CCCCOCCCF ecae47bd752538b1e595278f676cbf52 [0,2,0,0,0,0|1,0,1]=4 5422 B9R0.45 N#CCCCOCCCS 87f3e183e7450c48a0767b73a962b230 [0,2,0,0,0,0|0,1,1]=4 5423 B9R0.45 N#CCCNCCCCCl 4ec993cc8d8b85332b0b2ca871f6d09d [0,2,0,0,0,0|2,0,0]=4 5424 B9R0.45 N#CCCNCCCCF 8a8036c5dffd2e1a2a38a6b4070bbfa9 [0,2,0,0,0,0|2,0,0]=4 5425 B9R0.45 N#CCCNCCCCO 8f31110df948a5da40f0fc55e4e2b411 [0,2,0,0,0,0|1,0,1]=4 5426 B9R0.45 N#CCCNCCCCS c18dd9a6c27892607f9a9bcd5d9386f7 [0,2,0,0,0,0|2,0,0]=4 5427 B9R0.45 N#CCCOCCCC=O d6a9ec1909ce723f0328c3000aa7c7e2 [0,2,0,0,0,0|1,0,1]=4 5428 B9R0.45 N#CCCOCCCCF 8b21112bc540d29686d0ed57de84b37c [0,2,0,0,0,0|1,0,0]=3 5429 B9R0.45 N#CCCOCCCCS d73ffec7edbe136df99b3856a723df19 [0,2,0,0,0,0|1,0,0]=3 5430 B9R0.45 N#CCCOCCOC=O 3ba0cd1e8f3895f4b647eab387820cdb [0,2,0,0,0,0|1,0,1]=4 5431 B9R0.45 N#CCCOCCOCF cfa0303ac1d38d43981c8387e7d6e416 [0,2,0,0,0,0|1,0,1]=4 5432 B9R0.45 N#CCNCCCCCO 3daac7eea92d9369d601f647ee6c319c [0,2,0,0,0,0|1,0,1]=4 5433 B9R0.45 N#CCNCCOCCO 85706c80f432bfbb0dc9a60b710d06ef [0,2,0,0,0,0|0,0,1]=3 5434 B9R0.45 N#CCNCCOCCS 3547982210c6f003ba9c9460f38cafe1 [0,2,0,0,0,0|0,1,1]=4 5435 B9R0.45 N#CCNCCSCCO 54e465a39b811110116f74feb8cf6ab2 [0,2,0,0,0,0|0,1,1]=4 5436 B9R0.45 N#CCOCCCCC=O cb025efacedea55aeaa23f228f24ab02 [0,2,0,0,0,0|1,0,1]=4 5437 B9R0.45 N#CCOCCCCCF 18f85119066363d84b7122e0db7fc998 [0,2,0,0,0,0|1,0,1]=4 5438 B9R0.45 N#CCOCCCOCF 09fb388b54183e95f4c0f1a7943132e8 [0,2,0,0,0,0|1,0,1]=4 5439 B9R0.45 N#CCOCCNCCBr 373bea75190b7f2c2e98918751eebbd5 [0,2,0,0,0,0|1,0,1]=4 5440 B9R0.45 N#CCOCCNCCF 916b98c438943223451741b6b9cf69be [0,2,0,0,0,0|1,0,1]=4 5441 B9R0.45 N#CCOCCNCCI b5f25c68aa7a2d3f7a073f81eed8bf81 [0,2,0,0,0,0|1,0,1]=4 5442 B9R0.45 N#CCOCCNCCO 415950b9b2d19cfe3b0ef944f423a425 [0,2,0,0,0,0|1,0,1]=4 5443 B9R0.45 N#CCOCCNCCS 736d17bbdf7174cf74567fbd10ede5f6 [0,2,0,0,0,0|1,0,1]=4 5444 B9R0.45 N#CCOCCOCCF 4f63ade84f79b2b60223487d25b9bd64 [0,2,0,0,0,0|1,0,1]=4 5445 B9R0.45 N#CCOCCOCCS 0dd9aecc1295288bd7158db840d1d49c [0,2,0,0,0,0|0,1,1]=4 5446 B9R0.45 N#CNCCCCCCO f0aff8719e38b436598a2375b3e83e00 [0,2,0,0,0,0|1,0,1]=4 5447 B9R0.45 N#CSCOCCCCF 90dd9441046b18c8586fecc11fd5e0ce [0,2,0,0,0,0|1,0,1]=4 5448 B9R0.45 N#CSCOCCCCS 00aeb86e1535756628e497960f317469 [0,2,0,0,0,0|1,0,1]=4 5449 B9R0.45 NOCCCCNCCBr 2cbb9b1f5fa15a0cb11d2d1a54069b68 [0,2,0,0,0,0|2,0,0]=4 5450 B9R0.45 NOCCCCNCCF 10f842002b86ebb015645863174f6d5a [0,2,0,0,0,0|2,0,0]=4 5451 B9R0.45 NOCCCCNCCI 4bc1d3a6214dfb3b4d79e66c7249aab3 [0,2,0,0,0,0|2,0,0]=4 5452 B9R0.45 NOCCCCNCCO 1d50ca22b804edf20454494705831695 [0,2,0,0,0,0|1,0,0]=3 5453 B9R0.45 NOCCCCNCCS 25e84b54ccd0981b7c564b347fc200ff [0,2,0,0,0,0|1,1,0]=4 5454 B9R0.45 NOCCNCCCC=O adc84148913736be6fd155b0da37ca06 [0,2,0,0,0,0|1,0,1]=4 5455 B9R0.45 NOCCNCCCCF 310243ec127a8ca6e81f867ec9c88c3a [0,2,0,0,0,0|1,0,0]=3 5456 B9R0.45 NOCCNCCCCO 52a45d1382cbb83a17f55fac93f63db8 [0,2,0,0,0,0|1,0,0]=3 5457 B9R0.45 NOCCOCCNC=O 7f8f6a698be1d85448f32cb8ea44e527 [0,2,0,0,0,0|1,0,1]=4 5458 B9R0.45 NOCCOCCNCF 16b2281cb9d5417dee315dd77df8bcf8 [0,2,0,0,0,0|1,0,0]=3 5459 B9R0.45 NOCCOCCNCO 1efe69231a3c3ef66e0edd40a720f97e [0,2,0,0,0,0|1,0,0]=3 5460 B9R0.45 O/C=C\CNCCCCCl 32d99f4bcc2d097dc5f961a7d77eb85e [0,2,0,0,0,0|1,0,1]=4 5461 B9R0.45 O/C=C\CNCCCCO 3aa0b00108be3944a3394c12f0569f56 [0,2,0,0,0,0|1,0,1]=4 5462 B9R0.45 O/C=C\CNCCCCS e7c825c7fbc5972a6c8f8ade5068f2d0 [0,2,0,0,0,0|1,0,1]=4 5463 B9R0.45 O=CCCCCNCCBr 5abec0ed0917442c8c232cdb425a9841 [0,2,0,0,0,0|2,0,0]=4 5464 B9R0.45 O=CCCCCNCCF eb9f24cce8e482daf38d14d9d549bbb1 [0,2,0,0,0,0|2,0,0]=4 5465 B9R0.45 O=CCCCCNCCI 70b4665906e4318f4c49372e2844c374 [0,2,0,0,0,0|2,0,0]=4 5466 B9R0.45 O=CCCCCNCCO 85ae23fbf5ae9276f3b511278a68fed1 [0,2,0,0,0,0|1,0,0]=3 5467 B9R0.45 O=CCCCCNCCS deffd1d2c176beb2f0f71b26a9711ee2 [0,2,0,0,0,0|1,1,0]=4 5468 B9R0.45 O=CCCCCOCC=O 7ef8386ecbb49019770effbfa4132a27 [0,2,0,0,0,0|0,0,2]=4 5469 B9R0.45 O=CCCCCOCCF 9b2c7b33aa8c8f306ca8eb570fcf7b58 [0,2,0,0,0,0|1,0,0]=3 5470 B9R0.45 O=CCCCCOCCS bc4f0fef628b9966ab9f3b44089a7d10 [0,2,0,0,0,0|0,1,0]=3 5471 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [0,2,0,0,0,0|1,0,1]=4 5472 B9R0.45 O=CCCCOCCC=O de1a62baa6fb31c701c46d9e029ef69d [0,2,0,0,0,0|0,0,2]=4 5473 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [0,2,0,0,0,0|1,0,1]=4 5474 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [0,2,0,0,0,0|0,1,1]=4 5475 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [0,2,0,0,0,0|1,0,1]=4 5476 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [0,2,0,0,0,0|1,0,1]=4 5477 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [0,2,0,0,0,0|1,0,1]=4 5478 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [0,2,0,0,0,0|0,0,1]=3 5479 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [0,2,0,0,0,0|0,0,1]=3 5480 B9R0.45 O=CCCOCCOC=O 481f74f4a74e340c595a87b689454483 [0,2,0,0,0,0|1,0,1]=4 5481 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [0,2,0,0,0,0|1,0,1]=4 5482 B9R0.45 O=CCNCCOCCO de08778415c857e8542965cf026469b7 [0,2,0,0,0,0|0,0,1]=3 5483 B9R0.45 O=CCNCCOCCS 7851b687cdf6989a2552d5cf39972361 [0,2,0,0,0,0|0,1,1]=4 5484 B9R0.45 O=CCNCCSCCO d264e55e90c1c69869186baf5c4b2562 [0,2,0,0,0,0|0,1,1]=4 5485 B9R0.45 O=CCOCCNCCBr 9819b5c51421182fcdb248da2578a61b [0,2,0,0,0,0|0,0,2]=4 5486 B9R0.45 O=CCOCCNCCF e9530f27022516b2df446fd4acb3c2b4 [0,2,0,0,0,0|0,0,2]=4 5487 B9R0.45 O=CCOCCNCCI 982e6a53b402275ae463ac8e959e2533 [0,2,0,0,0,0|0,0,2]=4 5488 B9R0.45 O=CCOCCNCCO a2db44e87b2fb5f984ed853f6da8166f [0,2,0,0,0,0|0,0,2]=4 5489 B9R0.45 O=CCOCCNCCS 30555c8d14175bdff7d9852359d5da46 [0,2,0,0,0,0|0,0,2]=4 5490 B9R0.45 O=CCOCCOCCF 8034a51f97cd228bd06c22d3c7378cb2 [0,2,0,0,0,0|0,0,2]=4 5491 B9R0.45 O=CCOCCOCCS 78becc0461eb1993db100c499f5982b4 [0,2,0,0,0,0|0,0,2]=4 5492 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [0,2,0,0,0,0|1,0,1]=4 5493 B9R0.45 O=CNCCCOCCO c13219eb813f52a6a7b71943199239d8 [0,2,0,0,0,0|0,0,1]=3 5494 B9R0.45 O=CNCCOCCCF aecb41e1dec5d5cfb70b44dddd0a16bd [0,2,0,0,0,0|1,0,1]=4 5495 B9R0.45 O=CNCCOCCCO 2927b39b5e49691c6067a00f092b2e7d [0,2,0,0,0,0|1,0,1]=4 5496 B9R0.45 O=CNCCOCCCS 2f83dfa3851bd131879a6c8d5ea708d2 [0,2,0,0,0,0|1,0,1]=4 5497 B9R0.45 O=COCCOCCCF c6307ebf3fb8c4d9a04e9e143e22f0f0 [0,2,0,0,0,0|1,0,0]=3 5498 B9R0.45 O=COCCOCCCS d7818eb647bba146b010bb20a5b86538 [0,2,0,0,0,0|1,0,0]=3 5499 B9R0.45 OCC#CCNCCCF 964019d28ba70205c04a6c57b03f1db8 [0,2,0,0,0,0|1,0,1]=4 5500 B9R0.45 OCC#CCNCCCO 669b244da317b706f942614e2fd72c6e [0,2,0,0,0,0|1,0,1]=4 5501 B9R0.45 OCC#CCNCCCS e65ed3d558c79cb910016d5ff54fb986 [0,2,0,0,0,0|1,0,1]=4 5502 B9R0.45 OCCCCCCNCF 9f8dd59df8b832f35306dcc311b8ba0b [0,2,0,0,0,0|1,0,0]=3 5503 B9R0.45 OCCCCCCNCO b03974d5eaea260ed44c4429a42a8efd [0,2,0,0,0,0|1,0,0]=3 5504 B9R0.45 OCCCCCNCCBr b6fe72a70aa9ee94c38953fc5fa03507 [0,2,0,0,0,0|1,0,0]=3 5505 B9R0.45 OCCCCCNCCF efe70d32a4c6133cd05e8c1bf8301a0a [0,2,0,0,0,0|1,0,0]=3 5506 B9R0.45 OCCCCCNCCI 4b343205ce8465baed90cb0f419c6c4d [0,2,0,0,0,0|1,0,0]=3 5507 B9R0.45 OCCCCCNCCO c6e0d5af126a56a449acd76dabb0d0a6 [0,2,0,0,0,0|1,0,0]=3 5508 B9R0.45 OCCCCCNCCS 81db03003d62237a4ac003bf8b7c1409 [0,2,0,0,0,0|1,0,0]=3 5509 B9R0.45 OCCCCNCCCCl 5d4dd36721e99428cdc35a6893c3e2fe [0,2,0,0,0,0|1,0,0]=3 5510 B9R0.45 OCCCCNCCCF 6f20b166a61175e5d8c115f1b02448f2 [0,2,0,0,0,0|1,0,0]=3 5511 B9R0.45 OCCCCNCCCO 5785bad1b39de5e973646d0653e00598 [0,2,0,0,0,0|1,0,0]=3 5512 B9R0.45 OCCCCNCCCS 15be786d5d00bee1f4424bf326f6da44 [0,2,0,0,0,0|1,0,0]=3 5513 B9R0.45 OCCCNCCCCCl 19919d9b789640b88d6d653b90e1be74 [0,2,0,0,0,0|1,0,0]=3 5514 B9R0.45 OCCCNCCCCF 1b694695d8d20de2554ac05a72c91dce [0,2,0,0,0,0|1,0,0]=3 5515 B9R0.45 OCCCNCCCCS 8e91b12d63d803cd106ce9f5169f8923 [0,2,0,0,0,0|1,0,0]=3 5516 B9R0.45 OCCCOCCNCF f15212b83baac0e86e02d9bfc9f13e21 [0,2,0,0,0,0|1,0,0]=3 5517 B9R0.45 OCCCOCCNCO adf9c5412c7d79ddb7d51a3b681206a7 [0,2,0,0,0,0|1,0,0]=3 5518 B9R0.45 OCCNCCCCCCl e9f98005127c4b0d506088db3b60ee60 [0,2,0,0,0,0|1,0,0]=3 5519 B9R0.45 OCCNCCCCCF 758b4b8080a41888cab6ab1d11640066 [0,2,0,0,0,0|1,0,0]=3 5520 B9R0.45 OCCNCCOCCO 738d9a58e61a829fda527d98ac0aace0 [0,2,0,0,0,0|0,0,0]=2 5521 B9R0.45 OCCNCCOCCS 77b8bca58d3328fbc8cbcb6a3161e065 [0,2,0,0,0,0|0,1,0]=3 5522 B9R0.45 OCCNCCSCCO c40e174c1528287e3a14af235e30f4e0 [0,2,0,0,0,0|0,1,0]=3 5523 B9R0.45 OCCOCCCNCF 7ce9b10cb8458b7a42ac527722f64728 [0,2,0,0,0,0|0,0,0]=2 5524 B9R0.45 OCCOCCCNCO 688d61aba6220aada25220f9acf32fc2 [0,2,0,0,0,0|0,0,0]=2 5525 B9R0.45 OCCOCCNCCBr 9e15f8ab3e4b91cb7a5ea99d602cb86b [0,2,0,0,0,0|0,0,0]=2 5526 B9R0.45 OCCOCCNCCF f5cacd935e52b07e3be64815286a31ea [0,2,0,0,0,0|0,0,0]=2 5527 B9R0.45 OCCOCCNCCI 08f80c33f335ed8ead37ca35ba76eefc [0,2,0,0,0,0|0,0,0]=2 5528 B9R0.45 OCCOCCNCCS fa627b1fd01ce2d0475f2611582b4d83 [0,2,0,0,0,0|0,0,0]=2 5529 B9R0.45 OCCSCCNCCF e1b7d335a7dafc6993f4bf68c3209734 [0,2,0,0,0,0|0,1,0]=3 5530 B9R0.45 OCCSCCNCCS 7b8a912ab382d7a2e058e3b468c1bf37 [0,2,0,0,0,0|0,1,0]=3 5531 B9R0.45 OCCSSCCNCF e3e03ccdbb0962cbc60e9d88950edb7f [0,2,0,0,0,0|1,1,0]=4 5532 B9R0.45 OCCSSCCNCO 930bd4add62ed3a2a85beed66ae2f739 [0,2,0,0,0,0|1,1,0]=4 5533 B9R0.45 OCNCCCCCCCl 6c66f104945205670f9512f61ea483f8 [0,2,0,0,0,0|1,0,0]=3 5534 B9R0.45 SCCCCNCCCS 52e31175b40890d5df18b144eab7acd6 [0,2,0,0,0,0|1,1,0]=4 5535 B9R0.45 SCCCCOC/C=C/Cl 4ee4661329eea7bb56727b1b161ee4a5 [0,2,0,0,0,0|1,0,1]=4 5536 B9R0.45 SCCCCOC/C=C\Cl 8f7535932d06c7b346539707611655b3 [0,2,0,0,0,0|1,0,1]=4 5537 B9R0.45 SCCCCOCCCS b7680e9b2ba2fe24d6f57101d2c06d7b [0,2,0,0,0,0|0,1,0]=3 5538 B9R0.45 SCCCNCCCCCl a8500181cb93f61928fae606cdb0a5c8 [0,2,0,0,0,0|1,1,0]=4 5539 B9R0.45 SCCNCCCCCCl 1ad9c566dc6f6107f2e7c5f2c811a3d0 [0,2,0,0,0,0|1,1,0]=4 5540 B9R0.45 SCCNCCOCCS 9a3bc69221135313190ef76b6d693391 [0,2,0,0,0,0|0,1,0]=3 5541 B9R0.45 SCCOCCOCCS 4689e4261c06753472be2ff0e5be764a [0,2,0,0,0,0|0,1,0]=3 5542 B9R0.46 C#CC(C)NCCCCO b6315ce9002f2a8895c1ca5029c9b5cf [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.46 C#CC(C)OCCCCC 76b6ee9437b089f126e28f482afa7ff9 [0,2,0,0,0,0|1,0,1]=4 5544 B9R0.46 C#CC(C)OCCCCF 82a2085aa26163ddbf436a2a70ef3ff9 [0,2,0,0,0,0|1,0,1]=4 5545 B9R0.46 C#CC(C)OCCCCS f9572fce324908599f4c4259a44dbfee [0,2,0,0,0,0|1,0,1]=4 5546 B9R0.46 C#CC(C)OCCCOC 93aadcd36a2e0ab38ded651904db8b66 [0,2,0,0,0,0|1,0,1]=4 5547 B9R0.46 C#CC(C)OCCCSC 36f2ced8c05c5273a52fff76eae12ca4 [0,2,0,0,0,0|1,0,1]=4 5548 B9R0.46 C#CC(C)OCCOCC 022395a6d1f5aa9ec18ad6df795d7b4c [0,2,0,0,0,0|1,0,1]=4 5549 B9R0.46 C#CC(C)OCCSCC 5eec8d13d813d071d0c889d7e5a10076 [0,2,0,0,0,0|1,0,1]=4 5550 B9R0.46 C#CCCCNC(C)CO d00b8755195fc4d9cef31f4441a00b8c [0,2,0,0,0,0|1,0,1]=4 5551 B9R0.46 C#CCCCN[C@@H](C)CO 29db92d002822685f188d442ab68fa7b [0,2,0,0,0,0|1,0,1]=4 5552 B9R0.46 C#CCCCN[C@H](C)CO c8bc56084c6ae140a8592973624c3f9e [0,2,0,0,0,0|1,0,1]=4 5553 B9R0.46 C#CCCCOC(C)CC 1e639a2095fa15178ae372d9451084a1 [0,2,0,0,0,0|1,0,1]=4 5554 B9R0.46 C#CCCCOC(C)CF 2562c90495f5c61f8e9d2e911e0ca4b8 [0,2,0,0,0,0|1,0,1]=4 5555 B9R0.46 C#CCCCOC(C)CS 80a9beb5ef327e055361fb5d0c05ef39 [0,2,0,0,0,0|0,1,1]=4 5556 B9R0.46 C#CCCCO[C@@H](C)CC 90825cc991749be8b06d0183f591302a [0,2,0,0,0,0|1,0,1]=4 5557 B9R0.46 C#CCCCO[C@H](C)CC b12d2316f339eccf00f388243ad5d3a8 [0,2,0,0,0,0|1,0,1]=4 5558 B9R0.46 C#CCCCO[C@H](C)CS 0651e51c7e30922fb9f1c8c878b47120 [0,2,0,0,0,0|0,1,1]=4 5559 B9R0.46 C#CCCNCC(C)CC e263b5789fdcdc707d076fc2fd13d0b5 [0,2,0,0,0,0|2,0,0]=4 5560 B9R0.46 C#CCCNCC(O)CC af898a0ae5a62ea8407044473b014e47 [0,2,0,0,0,0|2,0,0]=4 5561 B9R0.46 C#CCCNC[C@@H](C)CC 878e18ab04ceba3857e43068a87a0402 [0,2,0,0,0,0|2,0,0]=4 5562 B9R0.46 C#CCCNC[C@H](C)CC 1531dce6186f38f25f3a2ebe51638e81 [0,2,0,0,0,0|2,0,0]=4 5563 B9R0.46 C#CCCNC[C@H](O)CC 3c76d836e081a9209bf738761969467c [0,2,0,0,0,0|2,0,0]=4 5564 B9R0.46 C#CCCOCC(=C)CC 2fbe6a12c5901bba921be2235cafb51e [0,2,0,0,0,0|1,0,1]=4 5565 B9R0.46 C#CCCOCC(=O)CC a46409032fcba7df6669909c4c0a596d [0,2,0,0,0,0|1,0,1]=4 5566 B9R0.46 C#CCCOCC(Br)CBr ed1af14d04bc62e26dd6bf96ed0da3d4 [0,2,0,0,0,0|2,0,0]=4 5567 B9R0.46 C#CCCOCC(C)CC 9c961bd41f416fb9867875ce208aff79 [0,2,0,0,0,0|1,0,0]=3 5568 B9R0.46 C#CCCOCC(C)OC 37c35fb5d19c625d5d31802d7c5bb819 [0,2,0,0,0,0|0,0,2]=4 5569 B9R0.46 C#CCCOCC(Cl)CCl b292305d50baf23f4c96132a106b42ff [0,2,0,0,0,0|2,0,0]=4 5570 B9R0.46 C#CCCOCC(O)CO 8d30ed802cad441f94494213677f0572 [0,2,0,0,0,0|0,0,2]=4 5571 B9R0.46 C#CCCOCC(S)CS cff22e5f08dd16e407ad3bccad1a10d1 [0,2,0,0,0,0|2,0,0]=4 5572 B9R0.46 C#CCCOC[C@@H](C)CC a40b618327c24f2667b5483ac78c9721 [0,2,0,0,0,0|1,0,0]=3 5573 B9R0.46 C#CCCOC[C@@H](C)OC 711045f49383dd3f384b69ad8515e504 [0,2,0,0,0,0|0,0,2]=4 5574 B9R0.46 C#CCCOC[C@@H](O)CO 6b302f933f211cd43b7cf8c68ad88db0 [0,2,0,0,0,0|0,0,2]=4 5575 B9R0.46 C#CCCOC[C@H](C)CC 7413194d48494e4c5978541ecb81a3c6 [0,2,0,0,0,0|1,0,0]=3 5576 B9R0.46 C#CCCOC[C@H](C)OC f1fca86cb83f9350fc6577524dea0555 [0,2,0,0,0,0|0,0,2]=4 5577 B9R0.46 C#CCCOC[C@H](O)CO 0971e1187afc6641a3fd2cc511416c95 [0,2,0,0,0,0|0,0,2]=4 5578 B9R0.46 C#CCOCCC(C)CC cad05327d60217f2a06b57e98d3204c5 [0,2,0,0,0,0|1,0,1]=4 5579 B9R0.46 C#CCOCCC(C)OC 063dd8eefc96d23fcd0e59c454ded687 [0,2,0,0,0,0|1,0,1]=4 5580 B9R0.46 C#CCOCCC(S)CC 49220c8da0d6a11155280658e9ee4ae3 [0,2,0,0,0,0|1,0,1]=4 5581 B9R0.46 C#CCOCCN(C)CC d62b2da071d68d929bcca27ef32ab916 [0,2,0,0,0,0|1,0,1]=4 5582 B9R0.46 C#CCOCC[C@@H](C)CC af76e82dcdf2013f9ccb2a7578037173 [0,2,0,0,0,0|1,0,1]=4 5583 B9R0.46 C#C[C@@H](C)NCCCCO de66874c31f18cd37d3699702db44120 [0,2,0,0,0,0|2,0,0]=4 5584 B9R0.46 C#C[C@@H](C)OCCCCC 3c34864980631567cd4915bec8682212 [0,2,0,0,0,0|1,0,1]=4 5585 B9R0.46 C#C[C@@H](C)OCCCCF 4f7bc9768d48d0a0f99cc2639c6ffd49 [0,2,0,0,0,0|1,0,1]=4 5586 B9R0.46 C#C[C@@H](C)OCCCOC 4b0822f607bcc4d1208f21459f4f9335 [0,2,0,0,0,0|1,0,1]=4 5587 B9R0.46 C#C[C@@H](C)OCCCSC f67816999d36a204e1f8121f4c562c73 [0,2,0,0,0,0|1,0,1]=4 5588 B9R0.46 C#C[C@@H](C)OCCOCC 770650fb2cec2f843fe8ac4069e49748 [0,2,0,0,0,0|1,0,1]=4 5589 B9R0.46 C#C[C@@H](C)OCCSCC b4205391ba774c8bedccd22ab5908385 [0,2,0,0,0,0|1,0,1]=4 5590 B9R0.46 C#C[C@H](C)NCCCCO 2d4902d89bd8ef09b05d71e132a9b6b4 [0,2,0,0,0,0|2,0,0]=4 5591 B9R0.46 C#C[C@H](C)OCCCCC 91d302487070c0e6a0a84637d96b6210 [0,2,0,0,0,0|1,0,1]=4 5592 B9R0.46 C#C[C@H](C)OCCCCF 4d6737e19bee00243756f6592900b888 [0,2,0,0,0,0|1,0,1]=4 5593 B9R0.46 C#C[C@H](C)OCCCOC 7c64bf469b1a39c153558dfebec0314a [0,2,0,0,0,0|1,0,1]=4 5594 B9R0.46 C#C[C@H](C)OCCCSC 06bdfb39d3aa8a690930490468cf16c4 [0,2,0,0,0,0|1,0,1]=4 5595 B9R0.46 C#C[C@H](C)OCCOCC 28d5a6c38918f974bdf5276ac4a90f5d [0,2,0,0,0,0|1,0,1]=4 5596 B9R0.46 C#C[C@H](C)OCCSCC f92008c51180a17d12cb5ef3ece59686 [0,2,0,0,0,0|1,0,1]=4 5597 B9R0.46 C/C=C/CCOC(C)CC 24e3cbba50c85cd72892fd069a4e6975 [0,2,0,0,0,0|1,0,1]=4 5598 B9R0.46 C/C=C/COCC(C)CC 7983f125636e3f3134027fe3de3217cf [0,2,0,0,0,0|1,0,1]=4 5599 B9R0.46 C/C=C/COCC(C)OC cdff3beac85f9cc7c1ddcdf885191fd3 [0,2,0,0,0,0|0,0,2]=4 5600 B9R0.46 C/C=C/COCC(O)CO 2f0e050b49b272af8fcc5caed2abe4ec [0,2,0,0,0,0|0,0,2]=4 5601 B9R0.46 C/C=C/COC[C@@H](C)CC a7d45b26084424e278986d5665db30d0 [0,2,0,0,0,0|1,0,1]=4 5602 B9R0.46 C/C=C/COC[C@@H](C)OC f643676dcdc0bce0cb0662f37416bb74 [0,2,0,0,0,0|0,0,2]=4 5603 B9R0.46 C/C=C/COC[C@@H](O)CO 9f5a8f6eebc63712f31914171f9c7b1a [0,2,0,0,0,0|0,0,2]=4 5604 B9R0.46 C/C=C/COC[C@H](C)CC f3e6ac5120a70460a4712060145a9b17 [0,2,0,0,0,0|1,0,1]=4 5605 B9R0.46 C/C=C/COC[C@H](C)OC bb62ad48acff917bb10ce7a90531cfe0 [0,2,0,0,0,0|0,0,2]=4 5606 B9R0.46 C/C=C/COC[C@H](O)CO db5a3e1e7883b14512ec70d567c5ad47 [0,2,0,0,0,0|0,0,2]=4 5607 B9R0.46 C/C=C\COCC(C)CC a58cfc486dfb3a551da7b3d40002a94b [0,2,0,0,0,0|1,0,1]=4 5608 B9R0.46 C/C=C\COCC(C)OC b04dd2b538eff6b74633c0c827219e7e [0,2,0,0,0,0|0,0,2]=4 5609 B9R0.46 C/C=C\COCC(O)CO f5c835aeedaf9fbcfadf9fd55a5951c4 [0,2,0,0,0,0|0,0,2]=4 5610 B9R0.46 C/C=C\COC[C@@H](C)CC 8863250b2c78da53321182b09112c661 [0,2,0,0,0,0|1,0,1]=4 5611 B9R0.46 C/C=C\COC[C@@H](C)OC 7982f238583ed5c61f1ade844f3e8909 [0,2,0,0,0,0|0,0,2]=4 5612 B9R0.46 C/C=C\COC[C@@H](O)CO b0f929380a5368e7fe57cef9d4cab203 [0,2,0,0,0,0|0,0,2]=4 5613 B9R0.46 C/C=C\COC[C@H](C)CC 8e175f6840b70f1066338d3f6915135f [0,2,0,0,0,0|1,0,1]=4 5614 B9R0.46 C/C=C\COC[C@H](C)OC 9dc80970d2ed439a3be76cde530e5332 [0,2,0,0,0,0|0,0,2]=4 5615 B9R0.46 C/C=C\COC[C@H](O)CO 9c2eb72901fddf373bf6eee13cb436ba [0,2,0,0,0,0|0,0,2]=4 5616 B9R0.46 C=C(C#N)COCCCC aa8eb4592546684a2d3a5ab4cd252b4a [0,2,0,0,0,0|1,0,1]=4 5617 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [0,2,0,0,0,0|2,0,0]=4 5618 B9R0.46 C=C(CC)CNCCCO 18776204e4c91a3cb89e6a2582d8ff83 [0,2,0,0,0,0|1,0,1]=4 5619 B9R0.46 C=C(CC)CNCCOC 5555ddf873997220217a7c3eff4eafc7 [0,2,0,0,0,0|1,0,1]=4 5620 B9R0.46 C=C(CC)CNCCON 1be69c82c909112a0c20ed1d5c766f58 [0,2,0,0,0,0|1,0,1]=4 5621 B9R0.46 C=C(CC)COCCC#N 162e6969aa7ef800752e0214d1d89b2c [0,2,0,0,0,0|1,0,1]=4 5622 B9R0.46 C=C(CC)COCCC=O 296af6eef6b4a65342a27e1ab77a8137 [0,2,0,0,0,0|0,0,2]=4 5623 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [0,2,0,0,0,0|1,0,0]=3 5624 B9R0.46 C=C(CC)COCCCF 606ee8b87c49f2e16cdc40d0e48eedf5 [0,2,0,0,0,0|1,0,1]=4 5625 B9R0.46 C=C(CC)COCCCS 3d924064c5c8408c214bf804208192ce [0,2,0,0,0,0|0,1,1]=4 5626 B9R0.46 C=C(CC)COCCOC 765ed6b2fd081ea849da95119a8147ed [0,2,0,0,0,0|0,0,1]=3 5627 B9R0.46 C=C(CC)COCCSC a62d5e6a47c069175d940e7a0e3bdd8c [0,2,0,0,0,0|0,1,1]=4 5628 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [0,2,0,0,0,0|1,0,1]=4 5629 B9R0.46 C=C(CO)CNCCCC 95db4a3fcbcacbb56c0b0802e017bef0 [0,2,0,0,0,0|1,0,0]=3 5630 B9R0.46 C=C(CO)CNCCCCl eecc73821b780e76438468524157acf3 [0,2,0,0,0,0|2,0,0]=4 5631 B9R0.46 C=C(CO)CNCCCO ab71bb268ba59b042df3282ecfd16849 [0,2,0,0,0,0|2,0,0]=4 5632 B9R0.46 C=C(CO)CNCCOC 6ece2a4c5cfde58edbd72b2262d9a7b8 [0,2,0,0,0,0|2,0,0]=4 5633 B9R0.46 C=C(CO)CNCCSC 170795028913d8c051e2c91826341b11 [0,2,0,0,0,0|2,0,0]=4 5634 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [0,2,0,0,0,0|0,0,1]=3 5635 B9R0.46 C=C(COCCCF)OC 4e9af8be2efb9dfedd020a71daf1ecc0 [0,2,0,0,0,0|1,0,1]=4 5636 B9R0.46 C=C(COCCCS)OC 009ce88ee6c0ad6e00f309bef511c05e [0,2,0,0,0,0|1,0,1]=4 5637 B9R0.46 C=C(COCCOC)OC 97dcad9a95359dfb19897cc892e86707 [0,2,0,0,0,0|1,0,1]=4 5638 B9R0.46 C=C(COCCSC)OC d48fe0c27a198758209cb684aabc4bdd [0,2,0,0,0,0|1,0,1]=4 5639 B9R0.46 C=CC(C)COCCCC 608053865d7cfd6e5d03832e4e889079 [0,2,0,0,0,0|1,0,0]=3 5640 B9R0.46 C=CC(C)COCCCF 4aab6ffaea4570d342b849d562957bc0 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.46 C=CC(C)COCCCS d31ac78b0608269a13137249bda6321a [0,2,0,0,0,0|2,0,0]=4 5642 B9R0.46 C=CC(C)COCCOC fccc4d8fbeebf1b28ffcdcc7509c708c [0,2,0,0,0,0|0,0,2]=4 5643 B9R0.46 C=CC(C)COCCSC 99ab113b54b9cb1afcfef225d5c61a10 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.46 C=CC(C)COCOCC 7c2a728753e17ddc90e8dd0cae1ca87f [0,2,0,0,0,0|2,0,0]=4 5645 B9R0.46 C=CC(C)NCCCCO 4b58e19f068eedec9797ff448a136342 [0,2,0,0,0,0|2,0,0]=4 5646 B9R0.46 C=CC(C)OCCCCC 1e28f1d3c351070f3d11fb5c824849ee [0,2,0,0,0,0|1,0,1]=4 5647 B9R0.46 C=CC(C)OCCCCF 831a7637a9ac2a8eef16a41d14bdec08 [0,2,0,0,0,0|1,0,1]=4 5648 B9R0.46 C=CC(C)OCCCCS 6744c9a4d971ae4c28d178f1c4c4388d [0,2,0,0,0,0|1,0,1]=4 5649 B9R0.46 C=CC(C)OCCCOC ecd19d6847611bb5b922c8b1a0b72e45 [0,2,0,0,0,0|1,0,1]=4 5650 B9R0.46 C=CC(C)OCCCSC 34e0dff602ea77f7e7097a0d00d2243a [0,2,0,0,0,0|1,0,1]=4 5651 B9R0.46 C=CC(C)OCCOCC 803cc5dec1659697a4f3f679ec2def68 [0,2,0,0,0,0|1,0,1]=4 5652 B9R0.46 C=CC(C)OCCSCC b48657873cc1178342989d92c9191ab8 [0,2,0,0,0,0|1,0,1]=4 5653 B9R0.46 C=CC(O)CNCCCC 62bcdd9c10c55126c8e92a97a0820f32 [0,2,0,0,0,0|1,0,0]=3 5654 B9R0.46 C=CC(O)CNCCCF f2f3375fd11a6d38489f7763a9380847 [0,2,0,0,0,0|2,0,0]=4 5655 B9R0.46 C=CC(O)CNCCCO 654c6bf32dd2f01e3597f7e292ad60d3 [0,2,0,0,0,0|2,0,0]=4 5656 B9R0.46 C=CC(O)CNCCCS dc50719dae8f393055d9c046b8925a0b [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.46 C=CC(O)CNCCOC 3132bbe8eeb28193e25821494e5edcc7 [0,2,0,0,0,0|2,0,0]=4 5658 B9R0.46 C=CC(O)CNCCSC 2c79e07a24fb1b114b870dfbcf4fd86e [0,2,0,0,0,0|2,0,0]=4 5659 B9R0.46 C=CC(O)CNCOCC 0468afb911e8c070583eabdf9dfc1cf1 [0,2,0,0,0,0|2,0,0]=4 5660 B9R0.46 C=CCCCNC(C)CO 51295b5a9fc007bfa79d27e465ec8e8b [0,2,0,0,0,0|1,0,1]=4 5661 B9R0.46 C=CCCCN[C@@H](C)CO 1c752b828bac740deb5ba11cdb15d341 [0,2,0,0,0,0|1,0,1]=4 5662 B9R0.46 C=CCCCN[C@H](C)CO 2392c16b8e3cedcc74db0098f5b1e9fb [0,2,0,0,0,0|1,0,1]=4 5663 B9R0.46 C=CCCCOC(C)CC 37e8ea4b03808467d80b9e9cd385bea1 [0,2,0,0,0,0|1,0,1]=4 5664 B9R0.46 C=CCCCOC(C)CF 0d47896293712c80b3f00cf6951a2b22 [0,2,0,0,0,0|1,0,1]=4 5665 B9R0.46 C=CCCCOC(C)CS 82fe378345178d4b1b590dc24d34887f [0,2,0,0,0,0|0,1,1]=4 5666 B9R0.46 C=CCCCO[C@@H](C)CC abbd602e7f93f4b12023e906c8ad0004 [0,2,0,0,0,0|1,0,1]=4 5667 B9R0.46 C=CCCCO[C@H](C)CC 007e4760c2d7a5023e666e085fdc2f12 [0,2,0,0,0,0|1,0,1]=4 5668 B9R0.46 C=CCCCO[C@H](C)CS 7950eaf4ad7ba41e176d7ecb1410a526 [0,2,0,0,0,0|0,1,1]=4 5669 B9R0.46 C=CCCNCC(C)CC 774510d6074bd83d1ab4d24c1d18de64 [0,2,0,0,0,0|2,0,0]=4 5670 B9R0.46 C=CCCNCC(O)CC a8bf7ce1c29a7e91f0f39f3b2bf163a6 [0,2,0,0,0,0|2,0,0]=4 5671 B9R0.46 C=CCCNC[C@@H](C)CC bdbe0fbc3e03bb79c9c72d2fb0f5b833 [0,2,0,0,0,0|2,0,0]=4 5672 B9R0.46 C=CCCNC[C@H](C)CC f60acee3cd0923166034d018db3ac193 [0,2,0,0,0,0|2,0,0]=4 5673 B9R0.46 C=CCCNC[C@H](O)CC a7cbf1ad9da3bae9b3ca12c4c9671d26 [0,2,0,0,0,0|2,0,0]=4 5674 B9R0.46 C=CCCOCC(=C)CC 1adb82f23c591e6fa60c0b0016d60c2a [0,2,0,0,0,0|1,0,1]=4 5675 B9R0.46 C=CCCOCC(=O)CC ba2b6b00a57ae78738067c10e2a29701 [0,2,0,0,0,0|1,0,1]=4 5676 B9R0.46 C=CCCOCC(Br)CBr 7eb7237425f92a220d80dc462157765c [0,2,0,0,0,0|2,0,0]=4 5677 B9R0.46 C=CCCOCC(C)CC 728ba19dbb1d3147b7b292d82ccd3920 [0,2,0,0,0,0|1,0,0]=3 5678 B9R0.46 C=CCCOCC(C)OC 6bc88718f753e91b653e1d2e53d1bfda [0,2,0,0,0,0|0,0,2]=4 5679 B9R0.46 C=CCCOCC(Cl)CCl 8dcdb105b447f0102716a720d49216c7 [0,2,0,0,0,0|2,0,0]=4 5680 B9R0.46 C=CCCOCC(O)CO 8204739759beac8622d0d9448f1526e8 [0,2,0,0,0,0|0,0,2]=4 5681 B9R0.46 C=CCCOCC(S)CS 2e9361e06c117d0c38f16091645a0d75 [0,2,0,0,0,0|2,0,0]=4 5682 B9R0.46 C=CCCOC[C@@H](C)CC 5e502b4f62f3acf0ba191253c86c3c22 [0,2,0,0,0,0|1,0,0]=3 5683 B9R0.46 C=CCCOC[C@@H](C)OC 269bed4af0ba253b5b1cdb3c6384a32c [0,2,0,0,0,0|0,0,2]=4 5684 B9R0.46 C=CCCOC[C@@H](O)CO 8dcbdfc30edf48001c0dbf53ae3cbfb6 [0,2,0,0,0,0|0,0,2]=4 5685 B9R0.46 C=CCCOC[C@H](C)CC 0fa4e329561f6df162ea8c2a70c22a75 [0,2,0,0,0,0|1,0,0]=3 5686 B9R0.46 C=CCCOC[C@H](C)OC 24c0b48792b33633a1719e6b5607e43b [0,2,0,0,0,0|0,0,2]=4 5687 B9R0.46 C=CCCOC[C@H](O)CO 8f1e6eb83ec0e72ef9e4bc7503f0e44a [0,2,0,0,0,0|0,0,2]=4 5688 B9R0.46 C=CCOCCC(C)CC 5e8e7402f2d49a682e79b096ff9fa744 [0,2,0,0,0,0|1,0,1]=4 5689 B9R0.46 C=CCOCCC(C)OC 17ccd11502650aa1e18fb6f1b1117c16 [0,2,0,0,0,0|1,0,1]=4 5690 B9R0.46 C=CCOCCC(S)CC 3aaf6c4216be2cdc4f1bfe59ac8192de [0,2,0,0,0,0|1,0,1]=4 5691 B9R0.46 C=CCOCCN(C)CC 4772de34b82bee4d3162335bafcae8ba [0,2,0,0,0,0|1,0,1]=4 5692 B9R0.46 C=CCOCC[C@@H](C)CC b8130feedf60b4d66e54966082720777 [0,2,0,0,0,0|1,0,1]=4 5693 B9R0.46 C=C[C@H](C)OCCCCC d1676930d2cd78672945fe179ff4da42 [0,2,0,0,0,0|1,0,1]=4 5694 B9R0.46 C=C[C@H](C)OCCCCF fbc99a9a32269eef1bd04ea9970dd449 [0,2,0,0,0,0|1,0,1]=4 5695 B9R0.46 C=C[C@H](C)OCCCOC 5d7b9c6dc5415bccf25660fe187912b2 [0,2,0,0,0,0|1,0,1]=4 5696 B9R0.46 C=C[C@H](C)OCCCSC d28beb0c5346fa035f5b3271a8f16573 [0,2,0,0,0,0|1,0,1]=4 5697 B9R0.46 C=C[C@H](C)OCCOCC adfac0360c62b67882d03683c422af6b [0,2,0,0,0,0|1,0,1]=4 5698 B9R0.46 C=C[C@H](C)OCCSCC 5081e180462a4353644ccae5db612617 [0,2,0,0,0,0|1,0,1]=4 5699 B9R0.46 CC#CCCOC(C)CC b3bc1363c381cbce251aede138b1a4b1 [0,2,0,0,0,0|1,0,1]=4 5700 B9R0.46 CC#CCOCC(C)CC b1c1a269c2e050241028c9ad016a1189 [0,2,0,0,0,0|1,0,1]=4 5701 B9R0.46 CC#CCOCC(C)OC 14b912b071373df4b3aeec5977d88e31 [0,2,0,0,0,0|0,0,2]=4 5702 B9R0.46 CC#CCOCC(O)CO 2c9152b46f85b40c87478ed39eeaf896 [0,2,0,0,0,0|0,0,2]=4 5703 B9R0.46 CC#CCOC[C@@H](C)CC f10d1e203e8af6912e4041c4b104ce88 [0,2,0,0,0,0|1,0,1]=4 5704 B9R0.46 CC#CCOC[C@@H](C)OC 052b95dc55b64822ea6e78e5b9ca110c [0,2,0,0,0,0|0,0,2]=4 5705 B9R0.46 CC#CCOC[C@@H](O)CO 688a6cc8f978470e88631906fcfe91ba [0,2,0,0,0,0|0,0,2]=4 5706 B9R0.46 CC#CCOC[C@H](C)CC 4381e9de94a512a820ff62b3b3425686 [0,2,0,0,0,0|1,0,1]=4 5707 B9R0.46 CC#CCOC[C@H](C)OC c9ed2739c0f3d23a2e6dcc302fda6845 [0,2,0,0,0,0|0,0,2]=4 5708 B9R0.46 CC#CCOC[C@H](O)CO c2796ffa88782e6c8cd6bccf25fe180f [0,2,0,0,0,0|0,0,2]=4 5709 B9R0.46 CC(C#N)CNCCCO 5328d32aa15b8bf5c6c4e0f47b71b6fb [0,2,0,0,0,0|2,0,0]=4 5710 B9R0.46 CC(C#N)COCCCF 609c169856e59a30a6ef9dd7cac062c2 [0,2,0,0,0,0|2,0,0]=4 5711 B9R0.46 CC(C#N)COCCCS 1e277f60bd0f7386602ef99c1fbb3265 [0,2,0,0,0,0|2,0,0]=4 5712 B9R0.46 CC(C#N)NCCCCO 9c645ee98f46c18353a577fe81e959d5 [0,2,0,0,0,0|2,0,0]=4 5713 B9R0.46 CC(C#N)OCCCCF f591b21e91d204d8ffc8b80dfc92652c [0,2,0,0,0,0|1,0,1]=4 5714 B9R0.46 CC(C#N)OCCCCS 8c915247794908600cdbe5bfee7d0cef [0,2,0,0,0,0|1,0,1]=4 5715 B9R0.46 CC(C=O)NCCCCO 058005ffd19202b24a3052385e7ba593 [0,2,0,0,0,0|2,0,0]=4 5716 B9R0.46 CC(C=O)OCCCCF b779475fea9936c9a40116733fadd837 [0,2,0,0,0,0|0,0,2]=4 5717 B9R0.46 CC(C=O)OCCCCS ee511cea976ef5b499265a61524eedbd [0,2,0,0,0,0|0,0,2]=4 5718 B9R0.46 CC(CF)OCCCC#N 783f32fb3e15283819898166fd1ed549 [0,2,0,0,0,0|1,0,1]=4 5719 B9R0.46 CC(CF)OCCCC=O 62afa987f228ca725705744b4bb44d2e [0,2,0,0,0,0|1,0,1]=4 5720 B9R0.46 CC(CF)OCCCCF 2aeffabfc3ba8a5630090442e1dad8fc [0,2,0,0,0,0|1,0,0]=3 5721 B9R0.46 CC(CO)CCCNCF c7dc5e02342bf5ad1fd57bdef72e29b2 [0,2,0,0,0,0|2,0,0]=4 5722 B9R0.46 CC(CO)CCCNCO 9aedcaf2b0ef653b1133e962bec75df2 [0,2,0,0,0,0|2,0,0]=4 5723 B9R0.46 CC(CO)CCNCCBr d5512932876703e37ddbe63764b68caf [0,2,0,0,0,0|2,0,0]=4 5724 B9R0.46 CC(CO)CCNCCF 427321b3d46c5317c8fcfef77eb7104f [0,2,0,0,0,0|2,0,0]=4 5725 B9R0.46 CC(CO)CCNCCI 258877afaa10299d965d5e25ea35cbd4 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.46 CC(CO)CCNCCO b5e602a30fab3c9a00738e92a66cfe89 [0,2,0,0,0,0|1,0,0]=3 5727 B9R0.46 CC(CO)CCNCCS 2fb7ea32966e847cb62fafd7246ab1ff [0,2,0,0,0,0|1,1,0]=4 5728 B9R0.46 CC(CO)CNCCCCl da1f8a2c9df29012792954d560a7ecdd [0,2,0,0,0,0|2,0,0]=4 5729 B9R0.46 CC(CO)CNCCCF 03c9e27bb9064bd48b0dd6465abfbc80 [0,2,0,0,0,0|2,0,0]=4 5730 B9R0.46 CC(CO)CNCCCO f183a46b651f931c66f01157cf801aa4 [0,2,0,0,0,0|2,0,0]=4 5731 B9R0.46 CC(CO)CNCCCS cc55fd36412a5b41660da90917d53cb2 [0,2,0,0,0,0|2,0,0]=4 5732 B9R0.46 CC(CO)CNCCON 29ddff5dad8da504107b0e49d730006e [0,2,0,0,0,0|2,0,0]=4 5733 B9R0.46 CC(CO)NCCCC#N 8156917c0954dd4c74ed9d15d4d9bdc9 [0,2,0,0,0,0|1,0,1]=4 5734 B9R0.46 CC(CO)NCCCC=O 2ff549803205bf2e5767b6eb5ecad836 [0,2,0,0,0,0|1,0,1]=4 5735 B9R0.46 CC(CO)NCCCCCl e57883b71c07bca2f8749a0f3ba97178 [0,2,0,0,0,0|1,0,0]=3 5736 B9R0.46 CC(CO)NCCCCF 0d13181423e75077f8b05fa6a4da0f76 [0,2,0,0,0,0|1,0,0]=3 5737 B9R0.46 CC(CO)NCCCCO b4c2fd76ab0f842dde612e033dca7666 [0,2,0,0,0,0|1,0,0]=3 5738 B9R0.46 CC(CO)NCCCCS f262d9cd8c93d5ed746141b865353eb9 [0,2,0,0,0,0|1,0,0]=3 5739 B9R0.46 CC(CS)OCCCC#N bc7d791b580656051d3fcc426e0909b6 [0,2,0,0,0,0|0,1,1]=4 5740 B9R0.46 CC(CS)OCCCC=O 6cc5334f315ad6dccb161036aee6dfb0 [0,2,0,0,0,0|0,1,1]=4 5741 B9R0.46 CC(CS)OCCCCF e2780d4cec9e9a5668a0b25720ff04ac [0,2,0,0,0,0|0,1,0]=3 5742 B9R0.46 CC/C=C/CNC(C)CO 397b894ceaff2ab37997d2c42132e9b2 [0,2,0,0,0,0|1,0,1]=4 5743 B9R0.46 CC/C=C/CN[C@@H](C)CO a1290da644d8b772b607b6b58f177397 [0,2,0,0,0,0|1,0,1]=4 5744 B9R0.46 CC/C=C/CN[C@H](C)CO 575f669c7112987e8528c1d5e0e9dec4 [0,2,0,0,0,0|1,0,1]=4 5745 B9R0.46 CC/C=C/COC(C)CC bb53281b9974a90f85650cbbacb4a7df [0,2,0,0,0,0|1,0,1]=4 5746 B9R0.46 CC/C=C/COC(C)CF 1fdd34cdbd42d07f8ab1d40368f485b8 [0,2,0,0,0,0|1,0,1]=4 5747 B9R0.46 CC/C=C/COC(C)CS 801637855ef7fdd16617e54b117d9000 [0,2,0,0,0,0|0,1,1]=4 5748 B9R0.46 CC/C=C/CO[C@@H](C)CC e5d8c30d9c656c3e93e8de7b95835dd5 [0,2,0,0,0,0|1,0,1]=4 5749 B9R0.46 CC/C=C/CO[C@H](C)CC 121e3c512c899a11d31a58b4f890d9b7 [0,2,0,0,0,0|1,0,1]=4 5750 B9R0.46 CC/C=C/CO[C@H](C)CS 58281e57ed9d9f92f513b46624d716c0 [0,2,0,0,0,0|0,1,1]=4 5751 B9R0.46 CC/C=C\COC(C)CC b6ae26b919cfe256a079292116543e0c [0,2,0,0,0,0|1,0,1]=4 5752 B9R0.46 CC=CCOCC(C)CC 54a8e7b67155f645d507d976db8ce0d7 [0,2,0,0,0,0|1,0,1]=4 5753 B9R0.46 CC=CCOCC(C)OC 763932ffaa84b91865c19456cc841006 [0,2,0,0,0,0|0,0,2]=4 5754 B9R0.46 CC=CCOCC(O)CO db330cca98c3c5b470effc611d0c1484 [0,2,0,0,0,0|0,0,2]=4 5755 B9R0.46 CC=CCOC[C@@H](C)CC 1b785dc16224333719989c0003bbb241 [0,2,0,0,0,0|1,0,1]=4 5756 B9R0.46 CC=CCOC[C@@H](C)OC 962866a4a8d42646184be45ce0263bd4 [0,2,0,0,0,0|0,0,2]=4 5757 B9R0.46 CC=CCOC[C@@H](O)CO 6bb22a1f06c1cdb1f32261d1f0021f60 [0,2,0,0,0,0|0,0,2]=4 5758 B9R0.46 CC=CCOC[C@H](C)CC 07d92da8bda03e61cbfea2e10c746589 [0,2,0,0,0,0|1,0,1]=4 5759 B9R0.46 CC=CCOC[C@H](C)OC fb7f3bbbf19cd7c04263da91a3fb50a3 [0,2,0,0,0,0|0,0,2]=4 5760 B9R0.46 CC=CCOC[C@H](O)CO 8cedb23b9102297e9c10113030bf0b05 [0,2,0,0,0,0|0,0,2]=4 5761 B9R0.46 CCC#CCNC(C)CO a013c272ace4447485898b0e7794bdff [0,2,0,0,0,0|1,0,1]=4 5762 B9R0.46 CCC#CCN[C@@H](C)CO 49983e09df0a48c02f170063230c25ad [0,2,0,0,0,0|1,0,1]=4 5763 B9R0.46 CCC#CCN[C@H](C)CO 881ac4fd04de7675a7682d0f254a7e5a [0,2,0,0,0,0|1,0,1]=4 5764 B9R0.46 CCC#CCOC(C)CC 509cecc81bcd6d47c0426efff8b37e66 [0,2,0,0,0,0|1,0,1]=4 5765 B9R0.46 CCC#CCO[C@@H](C)CC 488e5823adefad80408c2168268a90bf [0,2,0,0,0,0|1,0,1]=4 5766 B9R0.46 CCC#CCO[C@H](C)CC 3d20d7cd63c3d4ccff6be2308994279c [0,2,0,0,0,0|1,0,1]=4 5767 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [0,2,0,0,0,0|1,0,1]=4 5768 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [0,2,0,0,0,0|1,0,1]=4 5769 B9R0.46 CCC(=O)CNCCON ba0c5b3af43a79a1a68f6f4b8ebf8d97 [0,2,0,0,0,0|1,0,1]=4 5770 B9R0.46 CCC(=O)COCCC#N 8da317347b9500442b706f2c31666598 [0,2,0,0,0,0|1,0,1]=4 5771 B9R0.46 CCC(=O)COCCC=O caea3de9902aa906e712e11f093daab0 [0,2,0,0,0,0|0,0,2]=4 5772 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [0,2,0,0,0,0|1,0,1]=4 5773 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [0,2,0,0,0,0|0,1,1]=4 5774 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [0,2,0,0,0,0|0,0,1]=3 5775 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [0,2,0,0,0,0|0,1,1]=4 5776 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [0,2,0,0,0,0|1,0,1]=4 5777 B9R0.46 CCC(=O)OCNCCO 1f06de0805ea6ede1ea50046dc693666 [0,2,0,0,0,0|1,0,1]=4 5778 B9R0.46 CCC(=O)OCOCCF e5fb342926bb871d1cb290b830b4ffb8 [0,2,0,0,0,0|1,0,1]=4 5779 B9R0.46 CCC(=O)OCOCCS 6f4d5e6c17478e3865487606bb3e4321 [0,2,0,0,0,0|0,1,1]=4 5780 B9R0.46 CCC(C)CCCOCF 25eeed0d978fad0afbb1541ecdc0db9d [0,2,0,0,0,0|2,0,0]=4 5781 B9R0.46 CCC(C)CCNCCBr 3fa0289513dc830a578a5c76efee3816 [0,2,0,0,0,0|2,0,0]=4 5782 B9R0.46 CCC(C)CCNCCF 44bc075a9ced98bf1dc392bb11ba0c64 [0,2,0,0,0,0|2,0,0]=4 5783 B9R0.46 CCC(C)CCNCCI 36139ded0ec420d40865372a22a68637 [0,2,0,0,0,0|2,0,0]=4 5784 B9R0.46 CCC(C)CCNCCO a127043b6f5458f1c87d32ad0b8a32cb [0,2,0,0,0,0|1,0,0]=3 5785 B9R0.46 CCC(C)CCNCCS 3b8a0afebe56ab4073247bdfd34e70f3 [0,2,0,0,0,0|1,1,0]=4 5786 B9R0.46 CCC(C)CCNCOC 43e02a9a9b15d85ced7cf9a326f5c031 [0,2,0,0,0,0|2,0,0]=4 5787 B9R0.46 CCC(C)CCOCC#N d553906db90f9da7cb82ead3047dc770 [0,2,0,0,0,0|1,0,1]=4 5788 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [0,2,0,0,0,0|0,0,2]=4 5789 B9R0.46 CCC(C)CCOCCF bb91250b47983ac5c8faeb4bd1f1e3ef [0,2,0,0,0,0|1,0,0]=3 5790 B9R0.46 CCC(C)CCOCCS 256a4c6982ce1ecb5b64bea232e14074 [0,2,0,0,0,0|0,1,0]=3 5791 B9R0.46 CCC(C)CCOCOC aa6a8b2b97604e0740ffe50db913a9e2 [0,2,0,0,0,0|2,0,0]=4 5792 B9R0.46 CCC(C)CCOCSC 8520390c6afd5d53750aef79b528fdc9 [0,2,0,0,0,0|2,0,0]=4 5793 B9R0.46 CCC(C)CNC/C=C\O 90bd54a66986bb6bce0703b366636de2 [0,2,0,0,0,0|1,0,1]=4 5794 B9R0.46 CCC(C)CNCCC#N 68cf216e435a00b9080dcca9886aec8e [0,2,0,0,0,0|2,0,0]=4 5795 B9R0.46 CCC(C)CNCCC=O d1c23829c335ff019dcbfacafd5d0460 [0,2,0,0,0,0|1,0,1]=4 5796 B9R0.46 CCC(C)CNCCCCl 75425990ec0e8b22be6b3b605e8d04f4 [0,2,0,0,0,0|2,0,0]=4 5797 B9R0.46 CCC(C)CNCCCF 8906761c09fde8795be6ded9394960a0 [0,2,0,0,0,0|2,0,0]=4 5798 B9R0.46 CCC(C)CNCCCO b7f672fe5bfa18562ef1c8fe33c0250f [0,2,0,0,0,0|1,0,0]=3 5799 B9R0.46 CCC(C)CNCCCS 482b68027bb30f5b45d9f9e263a95a89 [0,2,0,0,0,0|1,1,0]=4 5800 B9R0.46 CCC(C)CNCCOC 478070c966f6ca0fa6a330d9497f1aea [0,2,0,0,0,0|1,0,0]=3 5801 B9R0.46 CCC(C)CNCCON 0c67052ae4762a1688f241865b875c37 [0,2,0,0,0,0|1,0,0]=3 5802 B9R0.46 CCC(C)CNCCSC 8df4c8f9b88bfde3efdc9fcd6007e2ec [0,2,0,0,0,0|1,1,0]=4 5803 B9R0.46 CCC(C)COC/C=C/Cl c8af0cde193c02b5733c96b48e410610 [0,2,0,0,0,0|1,0,1]=4 5804 B9R0.46 CCC(C)COC/C=C\Cl 268b995fc8a60c05e16ff8fea78fe780 [0,2,0,0,0,0|1,0,1]=4 5805 B9R0.46 CCC(C)COCC#CI b78a7b9abc1db74cacb3d7601b5f39a3 [0,2,0,0,0,0|1,0,1]=4 5806 B9R0.46 CCC(C)COCC=CCl 4c3117a043087954d61d1693e655a7f5 [0,2,0,0,0,0|1,0,1]=4 5807 B9R0.46 CCC(C)COCCC#N 1c2930c8b834a5d498f46a7ffe72f0ca [0,2,0,0,0,0|1,0,0]=3 5808 B9R0.46 CCC(C)COCCC=O 2d73e4df98095e84f26e8630b8c1ab90 [0,2,0,0,0,0|0,0,1]=3 5809 B9R0.46 CCC(C)COCCCF 5693fc06aa1f321e5183ecfbb48b9cf9 [0,2,0,0,0,0|1,0,0]=3 5810 B9R0.46 CCC(C)COCCCS 4fbc98c3ff3f83d254c02904cee3eb67 [0,2,0,0,0,0|0,1,0]=3 5811 B9R0.46 CCC(C)COCCOC d19cc26c89aed9265bb120353ab66312 [0,2,0,0,0,0|0,0,0]=2 5812 B9R0.46 CCC(C)COCCSC c1bd55f3604286bd60102a6081297ff9 [0,2,0,0,0,0|0,1,0]=3 5813 B9R0.46 CCC(C)COCSC#N 32e4dcdf014a6ce981ae78d45154d3d8 [0,2,0,0,0,0|1,0,1]=4 5814 B9R0.46 CCC(C)NCC#CCO 2d9ddff47b000f0efd59295f6b0589ca [0,2,0,0,0,0|1,0,1]=4 5815 B9R0.46 CCC(C)NCCCCCl 2cc441578749d69ed84ea91cfec37977 [0,2,0,0,0,0|2,0,0]=4 5816 B9R0.46 CCC(C)NCCCCF 82a8dd0b95c0f6f3f590ec79124b3a6a [0,2,0,0,0,0|2,0,0]=4 5817 B9R0.46 CCC(C)NCCCCO 6bd45ecd51d75108562e5caa61fe948c [0,2,0,0,0,0|1,0,0]=3 5818 B9R0.46 CCC(C)NCCCCS 4327177f2cba500184fb0fe43254c48b [0,2,0,0,0,0|1,1,0]=4 5819 B9R0.46 CCC(C)NCCCOC 171065770b4814346bd036dea3fd8b14 [0,2,0,0,0,0|2,0,0]=4 5820 B9R0.46 CCC(C)NCCCSC dc4ff370458b57fe04d9ed21704d16e4 [0,2,0,0,0,0|2,0,0]=4 5821 B9R0.46 CCC(C)OCCCC#N 7a8d167927353fb5ceeac53135d4c10e [0,2,0,0,0,0|1,0,1]=4 5822 B9R0.46 CCC(C)OCCCC=O 490e4bd62c6c0bc054893d7857d462c9 [0,2,0,0,0,0|1,0,1]=4 5823 B9R0.46 CCC(C)OCCCCF fd29067324c6c4e2d213686ebe1db414 [0,2,0,0,0,0|1,0,0]=3 5824 B9R0.46 CCC(C)OCCCCS 5299718601b454bd878e8e69ddcf6483 [0,2,0,0,0,0|1,0,0]=3 5825 B9R0.46 CCC(C)OCCCOC 920d543c516b5c83ae3650a9164e07ca [0,2,0,0,0,0|1,0,0]=3 5826 B9R0.46 CCC(C)OCCCSC 58564c22142bd233df8364803ae04186 [0,2,0,0,0,0|1,0,0]=3 5827 B9R0.46 CCC(O)CNC/C=C\O 5486a19119aec4202bff499e11ea5364 [0,2,0,0,0,0|1,0,1]=4 5828 B9R0.46 CCC(O)CNCCC#N 5f05820e55653ee4a70f9b0da91c3080 [0,2,0,0,0,0|2,0,0]=4 5829 B9R0.46 CCC(O)CNCCC=O cd5859b03f179b813ebaa6940985c168 [0,2,0,0,0,0|1,0,1]=4 5830 B9R0.46 CCC(O)CNCCCCl 4a44f635f2b26fe41010249f73195f04 [0,2,0,0,0,0|2,0,0]=4 5831 B9R0.46 CCC(O)CNCCCF d23db8212a10ffee3def0f30a90dee7b [0,2,0,0,0,0|2,0,0]=4 5832 B9R0.46 CCC(O)CNCCCO 93bcd9fc899e572447921b7df9cd4341 [0,2,0,0,0,0|1,0,0]=3 5833 B9R0.46 CCC(O)CNCCCS bbd28bf27ab28c61bca4c44e2f626d1c [0,2,0,0,0,0|1,1,0]=4 5834 B9R0.46 CCC(O)CNCCOC 85b160473aaff0894fe544a8f320867a [0,2,0,0,0,0|1,0,0]=3 5835 B9R0.46 CCC(O)CNCCON aad694a2eacf857ede2b2bae210d3f5e [0,2,0,0,0,0|1,0,0]=3 5836 B9R0.46 CCC(O)CNCCSC 931a319ad0fd7de5ea016a65cae41c39 [0,2,0,0,0,0|1,1,0]=4 5837 B9R0.46 CCC(S)CCOCC#N a7321ceb38145451cbd46f24ba542d7c [0,2,0,0,0,0|1,0,1]=4 5838 B9R0.46 CCC(S)CCOCC=O ec52efc3fa4920f55eb496eb0701f7dc [0,2,0,0,0,0|0,0,2]=4 5839 B9R0.46 CCC(S)CCOCCF 9da41ee5d7d9da1c2cc585e3018b1673 [0,2,0,0,0,0|1,0,0]=3 5840 B9R0.46 CCC(S)CCOCCS 919175d3529db808b91312a5ec683f5b [0,2,0,0,0,0|0,1,0]=3 5841 B9R0.46 CCC(S)CCOCOC a81f048ffdc120d9cf827a2fdad5d20c [0,2,0,0,0,0|2,0,0]=4 5842 B9R0.46 CCC(S)CCOCSC 26442e30c1e431b0f5836f43e706414a [0,2,0,0,0,0|2,0,0]=4 5843 B9R0.46 CCCCCCN(C)CC 8a417919e488fe1b88a927a0dc8a6acd [0,2,0,0,0,0|2,0,0]=4 5844 B9R0.46 CCCCCCN(C)CF 249d3f159bb53c49920e10418121e79c [0,2,0,0,0,0|2,0,0]=4 5845 B9R0.46 CCCCCCN(C)CO 8a5f907b8eb3248d8092765efbdfb7c6 [0,2,0,0,0,0|1,0,0]=3 5846 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [0,2,0,0,0,0|1,0,1]=4 5847 B9R0.46 CCCCCNC(C)CC d4dac8fa5e124377339bde23f68436c7 [0,2,0,0,0,0|2,0,0]=4 5848 B9R0.46 CCCCCNC(C)CO 130d859b8c3ec8415f617cafd7916a21 [0,2,0,0,0,0|1,0,0]=3 5849 B9R0.46 CCCCCN[C@@H](C)CC b6b81653be3f1ec33ebabbfa6682ffa7 [0,2,0,0,0,0|2,0,0]=4 5850 B9R0.46 CCCCCN[C@@H](C)CO 20ec0daf9e04887c5212a5e8c7959dfd [0,2,0,0,0,0|1,0,0]=3 5851 B9R0.46 CCCCCN[C@H](C)CC 1a59220ace4fed85e800ac900c1bb57f [0,2,0,0,0,0|2,0,0]=4 5852 B9R0.46 CCCCCN[C@H](C)CO febfc95055d8ed2fb693276cce938384 [0,2,0,0,0,0|1,0,0]=3 5853 B9R0.46 CCCCCOC(C)C#N 297e5ef3da6d594c2f51900f89e87e4c [0,2,0,0,0,0|1,0,1]=4 5854 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [0,2,0,0,0,0|0,0,2]=4 5855 B9R0.46 CCCCCOC(C)CC fc1eb2247bb34f4c011b4f7d0e4c7945 [0,2,0,0,0,0|1,0,0]=3 5856 B9R0.46 CCCCCOC(C)CF 5b19438ac5bb1414fffaec033cb2861e [0,2,0,0,0,0|1,0,0]=3 5857 B9R0.46 CCCCCOC(C)CS 0134a0372d50041ffbead69c16000b00 [0,2,0,0,0,0|0,1,0]=3 5858 B9R0.46 CCCCCO[C@@H](C)CC c4a51e5bded663ac6b4a49e50238da1d [0,2,0,0,0,0|1,0,0]=3 5859 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [0,2,0,0,0,0|0,0,2]=4 5860 B9R0.46 CCCCCO[C@H](C)CC 114a1823e1afabcf8603ed51c782914a [0,2,0,0,0,0|1,0,0]=3 5861 B9R0.46 CCCCCO[C@H](C)CS d6b0512832a6a434c166a9513b4ccb30 [0,2,0,0,0,0|0,1,0]=3 5862 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,2,0,0,0,0|2,0,0]=4 5863 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [0,2,0,0,0,0|1,0,0]=3 5864 B9R0.46 CCCCNCC(=O)NO 967297a833a30ade90d2c8a822ad4789 [0,2,0,0,0,0|1,0,1]=4 5865 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [0,2,0,0,0,0|1,0,1]=4 5866 B9R0.46 CCCCNCC(Br)CBr 7501bfbad692c85a16bcee024e0821af [0,2,0,0,0,0|2,0,0]=4 5867 B9R0.46 CCCCNCC(C)C#N 2880907625db2083a4cd8f76f54f1de6 [0,2,0,0,0,0|2,0,0]=4 5868 B9R0.46 CCCCNCC(C)CC fe16d6610e1ccb6be0e04021325ee876 [0,2,0,0,0,0|2,0,0]=4 5869 B9R0.46 CCCCNCC(C)CO 6da21364419b0c7c5b26455490267f1e [0,2,0,0,0,0|1,0,0]=3 5870 B9R0.46 CCCCNCC(C)OC c5b881b4571cefb9b8cc6509498fea93 [0,2,0,0,0,0|1,0,0]=3 5871 B9R0.46 CCCCNCC(F)CO ef01462d286e8a24585409774347d156 [0,2,0,0,0,0|1,0,0]=3 5872 B9R0.46 CCCCNCC(O)CC 46cb5b31215196bed41fac14cefadf78 [0,2,0,0,0,0|1,0,0]=3 5873 B9R0.46 CCCCNCC(O)CF a25c46def5aaeed0650a4676c74b8608 [0,2,0,0,0,0|1,0,0]=3 5874 B9R0.46 CCCCNCC(O)CO ac983613601cebc54cf5c91f0789f011 [0,2,0,0,0,0|1,0,0]=3 5875 B9R0.46 CCCCNC[C@@H](C)CC 28a03a36bf9908817a39b92ae085509a [0,2,0,0,0,0|2,0,0]=4 5876 B9R0.46 CCCCNC[C@@H](C)CO eb284f538845d26c0292210363d3a9ae [0,2,0,0,0,0|1,0,0]=3 5877 B9R0.46 CCCCNC[C@@H](C)OC 66a1d2fe69a7e3386efa0608767b75fb [0,2,0,0,0,0|1,0,0]=3 5878 B9R0.46 CCCCNC[C@@H](F)CO 08389c84f685c72abadef416a081d169 [0,2,0,0,0,0|1,0,0]=3 5879 B9R0.46 CCCCNC[C@@H](O)CO c855f4138f8af3c3918926fa7f309a61 [0,2,0,0,0,0|1,0,0]=3 5880 B9R0.46 CCCCNC[C@H](C)CC 5ae2d51b55b594c4663da0a7bc1219b4 [0,2,0,0,0,0|2,0,0]=4 5881 B9R0.46 CCCCNC[C@H](C)CO a46d55579d54fa2f3df45167dc865bff [0,2,0,0,0,0|1,0,0]=3 5882 B9R0.46 CCCCNC[C@H](C)OC 5293295331574cdeed3cec082b1404a4 [0,2,0,0,0,0|1,0,0]=3 5883 B9R0.46 CCCCNC[C@H](F)CO 8825965ce4d1c5b6f67f1eed1e05bf29 [0,2,0,0,0,0|1,0,0]=3 5884 B9R0.46 CCCCNC[C@H](O)CC f734ed05f673e984a2cecc562494193f [0,2,0,0,0,0|1,0,0]=3 5885 B9R0.46 CCCCNC[C@H](O)CO 19bfe4bb7f3792b152156a3887152ef5 [0,2,0,0,0,0|1,0,0]=3 5886 B9R0.46 CCCCOC/C(=C/Cl)/Cl 1cf0ffa034e56f45def6de04f86cf1ce [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.46 CCCCOC/C(=C/I)/C 134f408ad86b4fa216de6242485f53ce [0,2,0,0,0,0|1,0,1]=4 5888 B9R0.46 CCCCOCC(=CI)C 92bbc597016e9492eb2cbf4ef70e5f3e [0,2,0,0,0,0|1,0,1]=4 5889 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,2,0,0,0,0|1,0,0]=3 5890 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [0,2,0,0,0,0|0,0,2]=4 5891 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [0,2,0,0,0,0|0,0,1]=3 5892 B9R0.46 CCCCOCC(Br)CBr 47f9ee022b716b698a561875aa888071 [0,2,0,0,0,0|1,0,0]=3 5893 B9R0.46 CCCCOCC(C)C#N 06d9b36ac76424fdd3e7af8f18c29b0f [0,2,0,0,0,0|1,0,0]=3 5894 B9R0.46 CCCCOCC(C)CC 13ec2db481f75897427100192f392a55 [0,2,0,0,0,0|1,0,0]=3 5895 B9R0.46 CCCCOCC(C)OC 2ade9210dead56cd2b7c7e57c8d873e0 [0,2,0,0,0,0|0,0,0]=2 5896 B9R0.46 CCCCOCC(Cl)CCl 7ce0ebf6ab1cc141bc213cb71d46c022 [0,2,0,0,0,0|1,0,0]=3 5897 B9R0.46 CCCCOCC(O)CO 1717e932150717b75d8ad0553e2508d5 [0,2,0,0,0,0|0,0,0]=2 5898 B9R0.46 CCCCOCC(S)CS 61a90a75aa9f3f44748361e111510263 [0,2,0,0,0,0|0,1,0]=3 5899 B9R0.46 CCCCOCN(C)CC 8948872d1cc0127583aca296661107e6 [0,2,0,0,0,0|1,0,0]=3 5900 B9R0.46 CCCCOC[C@@H](C)CC 292951184706705a2f287faa32f83807 [0,2,0,0,0,0|1,0,0]=3 5901 B9R0.46 CCCCOC[C@@H](C)OC 1674d41bc8c308e9ec2e3c7b89845743 [0,2,0,0,0,0|0,0,0]=2 5902 B9R0.46 CCCCOC[C@@H](O)CO 83f3d645ad47a54afee07c67e38801d8 [0,2,0,0,0,0|0,0,0]=2 5903 B9R0.46 CCCCOC[C@H](C)CC 0a6162ca309a331d6895567d00642c6e [0,2,0,0,0,0|1,0,0]=3 5904 B9R0.46 CCCCOC[C@H](C)OC c4be72208ecd8f9f13f80938de346997 [0,2,0,0,0,0|0,0,0]=2 5905 B9R0.46 CCCCOC[C@H](O)CO 5961558aa91f8ff37bdd6ab712320a6b [0,2,0,0,0,0|0,0,0]=2 5906 B9R0.46 CCCNCCC(C)CC 4813008a0c1b241c6f502130c23c9788 [0,2,0,0,0,0|2,0,0]=4 5907 B9R0.46 CCCNCCC(C)CO 118cba905597f4a9d0e6d27edffe4f3f [0,2,0,0,0,0|1,0,0]=3 5908 B9R0.46 CCCNCCC(O)CO 7b15bb4f22a27a1184f0c23b9426da4d [0,2,0,0,0,0|1,0,0]=3 5909 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [0,2,0,0,0,0|2,0,0]=4 5910 B9R0.46 CCCNCC[C@@H](C)CO 9de671ae77164dcceeedf8d4084dec20 [0,2,0,0,0,0|1,0,0]=3 5911 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [0,2,0,0,0,0|1,0,1]=4 5912 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [0,2,0,0,0,0|1,0,1]=4 5913 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [0,2,0,0,0,0|1,0,1]=4 5914 B9R0.46 CCCOCCC(C)CC d32230cb97bcbaa35141057e4fc42013 [0,2,0,0,0,0|1,0,0]=3 5915 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [0,2,0,0,0,0|1,0,0]=3 5916 B9R0.46 CCCOCCC(S)CC 52c7b7912eb2ffdf0f6b5f6ebf04c230 [0,2,0,0,0,0|1,0,0]=3 5917 B9R0.46 CCCOCCN(C)C#N 4dd5d95a717b1529ace8fd738c60a2ad [0,2,0,0,0,0|2,0,0]=4 5918 B9R0.46 CCCOCCN(C)C=O 1992e4eb6f9e42487b54ea3b9d8f7b64 [0,2,0,0,0,0|2,0,0]=4 5919 B9R0.46 CCCOCCN(C)CC ef40f415dbe0e1aad15447a1a2d09d21 [0,2,0,0,0,0|1,0,0]=3 5920 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [0,2,0,0,0,0|1,0,0]=3 5921 B9R0.46 CCCOCC[C@@H](C)CC 5c7be05a753d139dee133c45d7518c1b [0,2,0,0,0,0|1,0,0]=3 5922 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [0,2,0,0,0,0|1,0,1]=4 5923 B9R0.46 CCN(C)CCCCCF 122017fcd60e618f8f7a933e646cec0d [0,2,0,0,0,0|2,0,0]=4 5924 B9R0.46 CCN(C)CCCCCO cc23bd2adbd47cdaf3363f05e9df12a8 [0,2,0,0,0,0|1,0,0]=3 5925 B9R0.46 CCN(C)CCCCOC e50312ca007da4f102260e37986049e9 [0,2,0,0,0,0|2,0,0]=4 5926 B9R0.46 CCN(C)CCCCON 9773669ed75d6ed3a5e09f2a63804113 [0,2,0,0,0,0|2,0,0]=4 5927 B9R0.46 CCN(C)CCCNCO 5eab832dcb59affa4db3d0053f8ad395 [0,2,0,0,0,0|2,0,0]=4 5928 B9R0.46 CCN(C)CCOCC#N a468d906f77655a7716ed481d46d147e [0,2,0,0,0,0|1,0,1]=4 5929 B9R0.46 CCN(C)CCOCC=O 82ff7a29890a5c811a75777b8b83be09 [0,2,0,0,0,0|0,0,2]=4 5930 B9R0.46 CCN(C)CCOCCO fa0eb0823f5c543f387a6551e4542a79 [0,2,0,0,0,0|0,0,0]=2 5931 B9R0.46 CCN(C)CCOCOC 913cee069eca196b3ec3223cf6915974 [0,2,0,0,0,0|2,0,0]=4 5932 B9R0.46 CCN(C)COCCOC 70041b6da9879dbd5ae39d56a1d099d1 [0,2,0,0,0,0|1,0,0]=3 5933 B9R0.46 CCNCCCC(C)CO c290f8dab7c2bada2b0324bd81530e9f [0,2,0,0,0,0|1,0,0]=3 5934 B9R0.46 CCOCCCC(C)CC 0ea2c075acda26928eb230e2cbdf0ebc [0,2,0,0,0,0|2,0,0]=4 5935 B9R0.46 CCOCCC[C@@H](C)CC d4ed2edda0b29eae54d6246c567e945f [0,2,0,0,0,0|2,0,0]=4 5936 B9R0.46 CCOCCNC(=O)CO d9af89bf0c14e4934e6283e7e3b7f7b7 [0,2,0,0,0,0|1,0,1]=4 5937 B9R0.46 CCOCCNC(C)CC 604b76b7b427e1d2e148702657fe9162 [0,2,0,0,0,0|2,0,0]=4 5938 B9R0.46 CCOCCNC(C)CO cd1a8b9db235033af70f5444c219e8ae [0,2,0,0,0,0|1,0,0]=3 5939 B9R0.46 CCOCCN[C@@H](C)CC 30a4d32f7e15cd6beded3966ea0f760a [0,2,0,0,0,0|2,0,0]=4 5940 B9R0.46 CCOCCN[C@@H](C)CO f5198aac935624082c15432e1dd9472c [0,2,0,0,0,0|1,0,0]=3 5941 B9R0.46 CCOCCN[C@H](C)CC 7e17a54331a1ce42b799e5b41556e837 [0,2,0,0,0,0|2,0,0]=4 5942 B9R0.46 CCOCCN[C@H](C)CO 7e213764f7eb380ddaa61285a7a745b9 [0,2,0,0,0,0|1,0,0]=3 5943 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [0,2,0,0,0,0|1,0,1]=4 5944 B9R0.46 CCOCCOC(C)C#N 01629d7db9a5bb552932e0965cd48345 [0,2,0,0,0,0|1,0,1]=4 5945 B9R0.46 CCOCCOC(C)C=O bfd7603acdd2ea90fa45278098ccd23c [0,2,0,0,0,0|0,0,2]=4 5946 B9R0.46 CCOCCOC(C)CC 8ffead10c60181691df31d8ade4e4ae1 [0,2,0,0,0,0|1,0,0]=3 5947 B9R0.46 CCOCCOC(C)CF a64e9604f533ebcad7dae79d673e2b6f [0,2,0,0,0,0|1,0,0]=3 5948 B9R0.46 CCOCCOC(C)CS c837c7e2db1ba3b4ac608360ec32bbdc [0,2,0,0,0,0|0,1,0]=3 5949 B9R0.46 CCOCCOC(F)C#N da3f9ba73ed6435bec74d0313dcdd8a4 [0,2,0,0,0,0|1,0,1]=4 5950 B9R0.46 CCOCCO[C@@H](C)CC 3b26474e70fe44798dc53e7bf758b859 [0,2,0,0,0,0|1,0,0]=3 5951 B9R0.46 CCOCCO[C@H](C)C=O 94336986a5ea608124cb78550c83363a [0,2,0,0,0,0|0,0,2]=4 5952 B9R0.46 CCOCCO[C@H](C)CC 06cae5bafa67b8d9d3e512875d68b6c2 [0,2,0,0,0,0|1,0,0]=3 5953 B9R0.46 CCOCCO[C@H](C)CS fee8c4a88bebef68deb40257b1338dd3 [0,2,0,0,0,0|0,1,0]=3 5954 B9R0.46 CCOCNCC(C)CC fa31187a6e01df7b2f68ded91825eb8e [0,2,0,0,0,0|2,0,0]=4 5955 B9R0.46 CCOCNCC(C)CO b9f35e9f34eb39c533ab92cb7549f1b1 [0,2,0,0,0,0|2,0,0]=4 5956 B9R0.46 CCOCNCC(F)CO 002cee6d7e422b5ebdfeb32ebe423050 [0,2,0,0,0,0|2,0,0]=4 5957 B9R0.46 CCOCNCC(O)CC 885d446894bffe4baab4eadb2bcd46f8 [0,2,0,0,0,0|2,0,0]=4 5958 B9R0.46 CCOCNCC(O)CO 27c8b92a9b739c4e73b3c6753a1d537e [0,2,0,0,0,0|2,0,0]=4 5959 B9R0.46 CCOCNC[C@@H](C)CC f01952715de4c9ea6bd7527eb102b491 [0,2,0,0,0,0|2,0,0]=4 5960 B9R0.46 CCOCNC[C@@H](C)OC b807dbc6adb76ec15a90a693f19ffb3b [0,2,0,0,0,0|2,0,0]=4 5961 B9R0.46 CCOCNC[C@@H](F)CO 08498d0e4db722bbdfb90bae4564da0b [0,2,0,0,0,0|2,0,0]=4 5962 B9R0.46 CCOCNC[C@@H](O)CO d0efb350b4a72c3ffee707458a6dd23c [0,2,0,0,0,0|2,0,0]=4 5963 B9R0.46 CCOCNC[C@H](C)CO e4b964a0e26dd0a3d905b106d1effa51 [0,2,0,0,0,0|2,0,0]=4 5964 B9R0.46 CCOCNC[C@H](C)OC 16bf82048690b4b8fd8365c54f5c6ae5 [0,2,0,0,0,0|2,0,0]=4 5965 B9R0.46 CCOCNC[C@H](F)CO 8cf7a25be31fef5e30ec855cd16dfb3d [0,2,0,0,0,0|2,0,0]=4 5966 B9R0.46 CCOCNC[C@H](O)CC 970c9bd31019ccc65386657ef5597e21 [0,2,0,0,0,0|2,0,0]=4 5967 B9R0.46 CCOCNC[C@H](O)CO 4a27cc053ca567b536b4085ad33b04f0 [0,2,0,0,0,0|2,0,0]=4 5968 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [0,2,0,0,0,0|1,0,1]=4 5969 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [0,2,0,0,0,0|1,0,1]=4 5970 B9R0.46 CCOCOCC(Br)CBr 7d960338833e695e123379ed2ddb4849 [0,2,0,0,0,0|2,0,0]=4 5971 B9R0.46 CCOCOCC(C)C#N fe73bc8eaff7062f0a34523fd9db3d21 [0,2,0,0,0,0|2,0,0]=4 5972 B9R0.46 CCOCOCC(C)CC 60fb4fb3babe221b8d8ae1986565d154 [0,2,0,0,0,0|1,0,0]=3 5973 B9R0.46 CCOCOCC(C)OC 72b63d232e4fab994bff023a5b0f057e [0,2,0,0,0,0|1,0,0]=3 5974 B9R0.46 CCOCOCC(Cl)CCl e442b6e5cc627abe810ef4b7f46849e7 [0,2,0,0,0,0|2,0,0]=4 5975 B9R0.46 CCOCOCC(S)CS 9b8f615e9244f14ad7c8a1bbdce10c7d [0,2,0,0,0,0|1,1,0]=4 5976 B9R0.46 CCOCOC[C@@H](C)CC 4ac868e35e74969ecce9bd4527340c26 [0,2,0,0,0,0|1,0,0]=3 5977 B9R0.46 CCOCOC[C@@H](C)OC c19132217764fdacb11b2ed5db21e7d9 [0,2,0,0,0,0|1,0,0]=3 5978 B9R0.46 CCOCOC[C@H](C)CC 6804f7b528c5cfe5512f16fd7c3e3f7d [0,2,0,0,0,0|1,0,0]=3 5979 B9R0.46 CCOCOC[C@H](C)OC efa9d0f70ad3034cb44258d3a83d6461 [0,2,0,0,0,0|1,0,0]=3 5980 B9R0.46 CCS(=O)CCNCCF 9b842c6bdf5892a20632fb071f9baa3e [0,2,0,0,0,0|2,0,0]=4 5981 B9R0.46 CCS(=O)CCNCCI 3665b929899e6e91c50828a5c0ce719b [0,2,0,0,0,0|2,0,0]=4 5982 B9R0.46 CCS(=O)CCNCCO 80f9000fb14e6d13c5c9e53876d91e4e [0,2,0,0,0,0|1,0,0]=3 5983 B9R0.46 CCS(=O)CCNCCS c43310e3bac451309e30f650d55f5c7e [0,2,0,0,0,0|1,1,0]=4 5984 B9R0.46 CCS(=O)CCOCC#N e7dade24eba9f6337ac5767dcc127309 [0,2,0,0,0,0|1,0,1]=4 5985 B9R0.46 CCS(=O)CCOCCF 8ef95104d3c4736cf32403e8715cd43e [0,2,0,0,0,0|1,0,0]=3 5986 B9R0.46 CCS(=O)CCOCCS 80b519a41b8db15a5367ed5720948bdd [0,2,0,0,0,0|0,1,0]=3 5987 B9R0.46 CCS(=O)CCOCOC cc45f556806623d703d038131bce054a [0,2,0,0,0,0|2,0,0]=4 5988 B9R0.46 CCSCCNC(=O)CO f1c730e3c2ce8d72f812c2ff79daa704 [0,2,0,0,0,0|1,0,1]=4 5989 B9R0.46 CCSCCNC(C)CC 2d90eb7b09af681bca309cff8cfc2d14 [0,2,0,0,0,0|2,0,0]=4 5990 B9R0.46 CCSCCNC(C)CO ce7e53b52eb73d2001141215c5336e18 [0,2,0,0,0,0|1,0,0]=3 5991 B9R0.46 CCSCCN[C@@H](C)CC 33046732b768b2afbdce9bd218c42e2f [0,2,0,0,0,0|2,0,0]=4 5992 B9R0.46 CCSCCN[C@@H](C)CO 13984c1cb3eb24b9c3d576fe5525e515 [0,2,0,0,0,0|1,0,0]=3 5993 B9R0.46 CCSCCN[C@H](C)CC f84cfead981dbea1e74c43e4dd4b9a76 [0,2,0,0,0,0|2,0,0]=4 5994 B9R0.46 CCSCCN[C@H](C)CO d2b501f60162eca744f933aed2021f17 [0,2,0,0,0,0|1,0,0]=3 5995 B9R0.46 CCSCCOC(C)C#N 4ff74789ddb95c16d3c3c4fa7571a97f [0,2,0,0,0,0|1,0,1]=4 5996 B9R0.46 CCSCCOC(C)C=O a41a819229db3c7394ce97008565cc09 [0,2,0,0,0,0|0,0,2]=4 5997 B9R0.46 CCSCCOC(C)CC a99bfa3e0b7ddd23f5f4986851ab52fe [0,2,0,0,0,0|1,0,0]=3 5998 B9R0.46 CCSCCOC(C)CF 2d3c657c2b2dbd18e39939d8a43829a3 [0,2,0,0,0,0|1,0,0]=3 5999 B9R0.46 CCSCCOC(C)CS 54da956b4c8c8b63c2d7b7527d8abcc3 [0,2,0,0,0,0|0,1,0]=3 6000 B9R0.46 CCSCCO[C@@H](C)CC d5db9f13bade2dcda4aa60acaa3134ed [0,2,0,0,0,0|1,0,0]=3 6001 B9R0.46 CCSCCO[C@H](C)C=O 25594d2fa741da9eafa868d67605c8e2 [0,2,0,0,0,0|0,0,2]=4 6002 B9R0.46 CCSCCO[C@H](C)CC d85640a5066c15e315f48de11dbf8afd [0,2,0,0,0,0|1,0,0]=3 6003 B9R0.46 CCSCCO[C@H](C)CS a4d30a25b95927be20e232a14567ee8a [0,2,0,0,0,0|0,1,0]=3 6004 B9R0.46 CC[C@@H](C)CNCCC#N e5ab7b6e6738f9257c212ac3420d9a73 [0,2,0,0,0,0|2,0,0]=4 6005 B9R0.46 CC[C@@H](C)CNCCCCl 957ebef67d2ae861120e94809e364f44 [0,2,0,0,0,0|2,0,0]=4 6006 B9R0.46 CC[C@@H](C)CNCCCO 4c3ce44a0c3881eab07a109768c53076 [0,2,0,0,0,0|1,0,0]=3 6007 B9R0.46 CC[C@@H](C)CNCCOC 0c4d0e273d8c3cde286ea3ef40aae601 [0,2,0,0,0,0|1,0,0]=3 6008 B9R0.46 CC[C@@H](C)CNCCON cc848e8486eefc23afaaadcfb9ee6f3e [0,2,0,0,0,0|1,0,0]=3 6009 B9R0.46 CC[C@@H](C)CNCCSC 473be0b665ea98aff787f223844291a6 [0,2,0,0,0,0|1,1,0]=4 6010 B9R0.46 CC[C@@H](C)COC/C=C/Cl 22bd3cb93cda0cb40bf7171fc5d01e6f [0,2,0,0,0,0|1,0,1]=4 6011 B9R0.46 CC[C@@H](C)COC/C=C\Cl d149c0bbf57f50950cecc44bc65b79eb [0,2,0,0,0,0|1,0,1]=4 6012 B9R0.46 CC[C@@H](C)COCC#CI c6de7dfcf71519cf322a4d358ca4b6b6 [0,2,0,0,0,0|1,0,1]=4 6013 B9R0.46 CC[C@@H](C)COCC=CCl adc83f3be4c923d6587ba77ecdebfaa7 [0,2,0,0,0,0|1,0,1]=4 6014 B9R0.46 CC[C@@H](C)COCCC#N 5a04dd9c7eae1543e698fcd882d39132 [0,2,0,0,0,0|1,0,0]=3 6015 B9R0.46 CC[C@@H](C)COCCC=O 73ea6284a99d686bca8912bc4d397db8 [0,2,0,0,0,0|0,0,1]=3 6016 B9R0.46 CC[C@@H](C)COCCCF fc41ac2cfcb43bf231275de698c14903 [0,2,0,0,0,0|1,0,0]=3 6017 B9R0.46 CC[C@@H](C)COCCCS 57d260b3c50481f576cc9542789b4ef1 [0,2,0,0,0,0|0,1,0]=3 6018 B9R0.46 CC[C@@H](C)COCCOC 11a8e067c37d321b47b1174a4455512a [0,2,0,0,0,0|0,0,0]=2 6019 B9R0.46 CC[C@@H](C)COCCSC 2dfb6827106cf0f6d525c2adceffc8e0 [0,2,0,0,0,0|0,1,0]=3 6020 B9R0.46 CC[C@@H](C)COCSC#N 899540a888c45c0a6163f4ecebd8139b [0,2,0,0,0,0|1,0,1]=4 6021 B9R0.46 CC[C@@H](C)NCCCCF eb65adaa49d7167074f92213ddbe6093 [0,2,0,0,0,0|2,0,0]=4 6022 B9R0.46 CC[C@@H](C)NCCCCO 75ad8c2daeead95458d1a1e8dccddd24 [0,2,0,0,0,0|1,0,0]=3 6023 B9R0.46 CC[C@@H](C)NCCCOC 822a7e313a224b9512648cc9b95bd904 [0,2,0,0,0,0|2,0,0]=4 6024 B9R0.46 CC[C@@H](C)NCCCSC 024d16c6df64eacbb8e22067de00574e [0,2,0,0,0,0|2,0,0]=4 6025 B9R0.46 CC[C@@H](C)OCCCC#N c32ce32a2f60c62d549952bb6e443541 [0,2,0,0,0,0|1,0,1]=4 6026 B9R0.46 CC[C@@H](C)OCCCC=O affc126d70813ac032232a3d21f0923c [0,2,0,0,0,0|1,0,1]=4 6027 B9R0.46 CC[C@@H](C)OCCCCF 5e3c9341302012b96ff35441d0c6a540 [0,2,0,0,0,0|1,0,0]=3 6028 B9R0.46 CC[C@@H](C)OCCCOC 2f9d57f9d6435302ae73a62c0138fd2b [0,2,0,0,0,0|1,0,0]=3 6029 B9R0.46 CC[C@@H](C)OCCCSC e3def9f2ce66bff30db7f50cb5fe763d [0,2,0,0,0,0|1,0,0]=3 6030 B9R0.46 CC[C@@H](O)CNC/C=C\O 69b8df0c26033788f9408bbecd65cb25 [0,2,0,0,0,0|1,0,1]=4 6031 B9R0.46 CC[C@@H](O)CNCCC#N 7c6a5b93942df57965d96e8fddf9ac8b [0,2,0,0,0,0|2,0,0]=4 6032 B9R0.46 CC[C@@H](O)CNCCC=O 7c53ec8f7aba46128b14d414a03d6336 [0,2,0,0,0,0|1,0,1]=4 6033 B9R0.46 CC[C@@H](O)CNCCCF 7bf6659ea8de7b146b80b5b4045f0937 [0,2,0,0,0,0|2,0,0]=4 6034 B9R0.46 CC[C@@H](O)CNCCCO 08b86832c312e48f7b7fa53b09edf713 [0,2,0,0,0,0|1,0,0]=3 6035 B9R0.46 CC[C@@H](O)CNCCCS d051e53a6d27d182f9ff21405c8ae76e [0,2,0,0,0,0|1,1,0]=4 6036 B9R0.46 CC[C@@H](O)CNCCOC c8d506c530eccde26f1fae791d78f832 [0,2,0,0,0,0|1,0,0]=3 6037 B9R0.46 CC[C@@H](O)CNCCSC a9b2d3e387529d8ef33918862b98c2f5 [0,2,0,0,0,0|1,1,0]=4 6038 B9R0.46 CC[C@H](C)CCCOCF 194911e0348f65d440f6b1ae1cabf828 [0,2,0,0,0,0|2,0,0]=4 6039 B9R0.46 CC[C@H](C)CCOCC#N a505708a1db2130a28b88ee016e737b4 [0,2,0,0,0,0|1,0,1]=4 6040 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [0,2,0,0,0,0|0,0,2]=4 6041 B9R0.46 CC[C@H](C)CCOCCF 65f1a8f692bc413633f2553453ae2599 [0,2,0,0,0,0|1,0,0]=3 6042 B9R0.46 CC[C@H](C)CCOCCS 3d7d64a8868cacc88a22b2863146c292 [0,2,0,0,0,0|0,1,0]=3 6043 B9R0.46 CC[C@H](C)CCOCOC c0caa4055f4f401d311d021467a49848 [0,2,0,0,0,0|2,0,0]=4 6044 B9R0.46 CC[C@H](C)CCOCSC 65e0dba5496fb314a2e4e4952410bc6b [0,2,0,0,0,0|2,0,0]=4 6045 B9R0.46 CC[C@H](C)CNC/C=C\O 55fce6d0bf68eea0a0fb8506f2d646b0 [0,2,0,0,0,0|1,0,1]=4 6046 B9R0.46 CC[C@H](C)CNCCC#N 3dcb7d392365bf51b1636f454374a85c [0,2,0,0,0,0|2,0,0]=4 6047 B9R0.46 CC[C@H](C)CNCCC=O e358f485d099c641cfa1fcd506941f98 [0,2,0,0,0,0|1,0,1]=4 6048 B9R0.46 CC[C@H](C)CNCCCCl cb5d3701a5454ab8a7c1e25b17e0c17c [0,2,0,0,0,0|2,0,0]=4 6049 B9R0.46 CC[C@H](C)CNCCCF e8fe43d0daac6024129fb4ce6eb899c7 [0,2,0,0,0,0|2,0,0]=4 6050 B9R0.46 CC[C@H](C)CNCCCO bbc2f0a02e4faf0f630ff6066f9a60d3 [0,2,0,0,0,0|1,0,0]=3 6051 B9R0.46 CC[C@H](C)CNCCCS 7de4d8a5b2b93a77f5a27c420a4ac670 [0,2,0,0,0,0|1,1,0]=4 6052 B9R0.46 CC[C@H](C)CNCCOC 89161844d77338176b3cf7dd44aac6c3 [0,2,0,0,0,0|1,0,0]=3 6053 B9R0.46 CC[C@H](C)CNCCON 70604e5fad54a94268eeec0a5852102b [0,2,0,0,0,0|1,0,0]=3 6054 B9R0.46 CC[C@H](C)CNCCSC 5e7c8ece39d8c5218152a0b255bf8521 [0,2,0,0,0,0|1,1,0]=4 6055 B9R0.46 CC[C@H](C)COC/C=C/Cl a29b4e087cb57078248b2c521aa56a50 [0,2,0,0,0,0|1,0,1]=4 6056 B9R0.46 CC[C@H](C)COC/C=C\Cl b3b1404689672818eca48392b783a449 [0,2,0,0,0,0|1,0,1]=4 6057 B9R0.46 CC[C@H](C)COCC#CI a0487b3b9121bd8f1e2cd04970b4bb1e [0,2,0,0,0,0|1,0,1]=4 6058 B9R0.46 CC[C@H](C)COCC=CCl 78cfe3a5e25160a63b76fae01962cff6 [0,2,0,0,0,0|1,0,1]=4 6059 B9R0.46 CC[C@H](C)COCCC#N 071b8989533068d0ebab383b8fe47876 [0,2,0,0,0,0|1,0,0]=3 6060 B9R0.46 CC[C@H](C)COCCC=O 02998a6cb7d56226c823a7da35ede65f [0,2,0,0,0,0|0,0,1]=3 6061 B9R0.46 CC[C@H](C)COCCCF c65d08248060987a358e369c41822355 [0,2,0,0,0,0|1,0,0]=3 6062 B9R0.46 CC[C@H](C)COCCCS 52471b27c193c4f27fa0495c9da8f449 [0,2,0,0,0,0|0,1,0]=3 6063 B9R0.46 CC[C@H](C)COCCOC fe07e47f9ef9af8156176cdea14b87ec [0,2,0,0,0,0|0,0,0]=2 6064 B9R0.46 CC[C@H](C)COCCSC 5a144b0e0ccac41436b54cbf36011015 [0,2,0,0,0,0|0,1,0]=3 6065 B9R0.46 CC[C@H](C)COCSC#N 96cf0c0a421722ee064d17ae6336da75 [0,2,0,0,0,0|1,0,1]=4 6066 B9R0.46 CC[C@H](C)NCCCCF 309e379717c13c1e9a6d85ea84bd551e [0,2,0,0,0,0|2,0,0]=4 6067 B9R0.46 CC[C@H](C)NCCCCO d56b8ae9eee11ef68d54b6dc3022e7f4 [0,2,0,0,0,0|1,0,0]=3 6068 B9R0.46 CC[C@H](C)NCCCOC b788f269c40d267ec5df84ae70dc09dc [0,2,0,0,0,0|2,0,0]=4 6069 B9R0.46 CC[C@H](C)NCCCSC cc62078d209b824b67a4761b761986b5 [0,2,0,0,0,0|2,0,0]=4 6070 B9R0.46 CC[C@H](C)OCCCC#N 46fce9032375e056ca79609b52bce31b [0,2,0,0,0,0|1,0,1]=4 6071 B9R0.46 CC[C@H](C)OCCCC=O 0bd2ba4d0329602504b9b03e6e85ee4b [0,2,0,0,0,0|1,0,1]=4 6072 B9R0.46 CC[C@H](C)OCCCCF 540bd33076f3a778f4a9ac8228bb2893 [0,2,0,0,0,0|1,0,0]=3 6073 B9R0.46 CC[C@H](C)OCCCOC 3a7736b0727880225605e3c3f5f132a5 [0,2,0,0,0,0|1,0,0]=3 6074 B9R0.46 CC[C@H](C)OCCCSC df0b9e89a23fd3867207d6b20f433550 [0,2,0,0,0,0|1,0,0]=3 6075 B9R0.46 CN(C#N)CCOCCF a29beba1e03a8c42ff4ae9999b4bc29b [0,2,0,0,0,0|2,0,0]=4 6076 B9R0.46 CN(C#N)CCOCCS a9b39a3a872d2e22774d1c724124151e [0,2,0,0,0,0|1,1,0]=4 6077 B9R0.46 CN(C=O)CCCCCO c53771f4b7aac7f2d7cf4ff756dc1493 [0,2,0,0,0,0|2,0,0]=4 6078 B9R0.46 CN(C=O)CCOCCF f062cb75f7eeafe4bae055fef014c772 [0,2,0,0,0,0|2,0,0]=4 6079 B9R0.46 CN(C=O)CCOCCO 0588b458e311bbf7340054389adcb7b7 [0,2,0,0,0,0|1,0,0]=3 6080 B9R0.46 CN(C=O)CCOCCS 30ac63368e8144a1209a917314105285 [0,2,0,0,0,0|1,1,0]=4 6081 B9R0.46 CN(CF)CCCCCO f63fafc6fa66b24dc0e1586c64758bfc [0,2,0,0,0,0|2,0,0]=4 6082 B9R0.46 CN(CF)CCOCCO e16f0f7968ef0e1aaace02416de788ac [0,2,0,0,0,0|1,0,0]=3 6083 B9R0.46 CN(CO)CCCCCO 19fbbd92023ed199cc7bf0391767e059 [0,2,0,0,0,0|2,0,0]=4 6084 B9R0.46 CN(CO)CCOCCO 04aff111f45ea13a1bf43a5b85a32b9b [0,2,0,0,0,0|1,0,0]=3 6085 B9R0.46 CNC(=O)CCNCCO 98df73f33e1b075bda1acbb74fe1c8df [0,2,0,0,0,0|1,0,1]=4 6086 B9R0.46 CNC(=O)CCOCCF b2e22a035cc2bd25c7b85b567f74cd31 [0,2,0,0,0,0|1,0,1]=4 6087 B9R0.46 CNC(=O)CCOCCS 067360fe45250b4deb2a92820d379203 [0,2,0,0,0,0|0,1,1]=4 6088 B9R0.46 CNC(=O)COCCOC b7ef10bc05872848d2a63f248fdeadb8 [0,2,0,0,0,0|1,0,1]=4 6089 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [0,2,0,0,0,0|1,0,1]=4 6090 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [0,2,0,0,0,0|1,0,1]=4 6091 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [0,2,0,0,0,0|0,1,1]=4 6092 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [0,2,0,0,0,0|1,0,1]=4 6093 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [0,2,0,0,0,0|1,0,1]=4 6094 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [0,2,0,0,0,0|1,0,1]=4 6095 B9R0.46 COC(C)CCOCC#N 6f66b1ed9ff378822cf6d5e228021f83 [0,2,0,0,0,0|1,0,1]=4 6096 B9R0.46 COC(C)CCOCC=O 0b0c48ce86b0d4306b127755a8a5c6f8 [0,2,0,0,0,0|0,0,2]=4 6097 B9R0.46 COC(C)CCOCCF 23655e737355373d1a3fdc1a153519a0 [0,2,0,0,0,0|1,0,0]=3 6098 B9R0.46 COC(C)CCOCCS 96bb4909de31961dc0ec495c647aed4d [0,2,0,0,0,0|0,1,0]=3 6099 B9R0.46 COC(C)CCOCSC fec9b5ceb3905c164175b48b0617f9e8 [0,2,0,0,0,0|2,0,0]=4 6100 B9R0.46 COC(C)CNCCCCl 7835119d7c1f20f78c43df14edc55df7 [0,2,0,0,0,0|2,0,0]=4 6101 B9R0.46 COC(C)CNCCCO bdcf28a44f2d7cb333771708747f4c78 [0,2,0,0,0,0|2,0,0]=4 6102 B9R0.46 COC(C)CNCCON e44b74a26ace8f4d912de6bf84166bac [0,2,0,0,0,0|2,0,0]=4 6103 B9R0.46 COC(C)CNCCSC bee3110cd636555634eaa3f638a90584 [0,2,0,0,0,0|2,0,0]=4 6104 B9R0.46 COC(C)COCCC#N e333649637c80911cc5842612ebbea2e [0,2,0,0,0,0|1,0,1]=4 6105 B9R0.46 COC(C)COCCC=O 1c36be6f84a622a44fb09ef73d1e8b0b [0,2,0,0,0,0|1,0,1]=4 6106 B9R0.46 COC(C)COCCCF 68e1bcd10a79a5fc7a2b1dce4b3d9d9e [0,2,0,0,0,0|1,0,0]=3 6107 B9R0.46 COC(C)COCCCS 78de3b47a63d9baa47733e2efc7e2a84 [0,2,0,0,0,0|1,0,0]=3 6108 B9R0.46 COC(C)COCCSC 1712cb8dc7dc99510f49e6135d79a303 [0,2,0,0,0,0|1,0,0]=3 6109 B9R0.46 COCCCCN(C)CO bfc1f18cd59c5de577ab9996b6c0c0a1 [0,2,0,0,0,0|2,0,0]=4 6110 B9R0.46 COCCCNC(=O)CO 4b8e790e604cafa347f0e3785cd6641b [0,2,0,0,0,0|1,0,1]=4 6111 B9R0.46 COCCCNC(C)CO 3b41c021640940c73dd95563def4ec3b [0,2,0,0,0,0|1,0,0]=3 6112 B9R0.46 COCCCN[C@@H](C)CO 8755c4ef5631b531fe5ed7caf2600f37 [0,2,0,0,0,0|1,0,0]=3 6113 B9R0.46 COCCCN[C@H](C)CO a7000f0fd7de540a6a4a429f36b6d571 [0,2,0,0,0,0|1,0,0]=3 6114 B9R0.46 COCCCOC(C)C#N 10bbeb36ceedaf6b964d0dc776dd8da9 [0,2,0,0,0,0|1,0,1]=4 6115 B9R0.46 COCCCOC(C)C=O 9a5f6e6c676de8d2d1f397929db56613 [0,2,0,0,0,0|0,0,2]=4 6116 B9R0.46 COCCCOC(C)CF b04aa9b69a82c381174c73dded981cc8 [0,2,0,0,0,0|1,0,0]=3 6117 B9R0.46 COCCCOC(C)CS 652ef6b5e7b1540b7deea481984e0897 [0,2,0,0,0,0|0,1,0]=3 6118 B9R0.46 COCCCO[C@H](C)C=O d25ebb3e6fd7ff8cf98932d3166da8ba [0,2,0,0,0,0|0,0,2]=4 6119 B9R0.46 COCCCO[C@H](C)CS c66dcc70697b07c1abf6ad931e04f0c1 [0,2,0,0,0,0|0,1,0]=3 6120 B9R0.46 COCCNCC(=O)CO 63a1f7327e6e41ceaf0dc4abf111dde8 [0,2,0,0,0,0|2,0,0]=4 6121 B9R0.46 COCCNCC(Br)CBr 6f902f5bf426796380e7f8619f621634 [0,2,0,0,0,0|2,0,0]=4 6122 B9R0.46 COCCNCC(C)CO 1c9906ffad77905fb2e1cb3f627f8dc6 [0,2,0,0,0,0|2,0,0]=4 6123 B9R0.46 COCCNCC(C)OC 4636753ca580a791d77babdbf71415e7 [0,2,0,0,0,0|2,0,0]=4 6124 B9R0.46 COCCNCC(F)CO 39f4dcb219db7497957a650c4a04c205 [0,2,0,0,0,0|2,0,0]=4 6125 B9R0.46 COCCNCC(O)CF 505932b26fa967ac460946e9484846b4 [0,2,0,0,0,0|2,0,0]=4 6126 B9R0.46 COCCNCC(O)CO c755412dc8007c98a3ba76b9ee1c3b97 [0,2,0,0,0,0|2,0,0]=4 6127 B9R0.46 COCCNC[C@@H](C)CO 7421d8e68fe6423fe23e14551f1eebba [0,2,0,0,0,0|2,0,0]=4 6128 B9R0.46 COCCNC[C@@H](C)OC 4e9c52f28a674df702963379ef3f2141 [0,2,0,0,0,0|2,0,0]=4 6129 B9R0.46 COCCNC[C@@H](F)CO 2fef7e2ae97238e05878a167a9df25ab [0,2,0,0,0,0|2,0,0]=4 6130 B9R0.46 COCCNC[C@@H](O)CO c3d982d46acebf22dd9c21977b029b88 [0,2,0,0,0,0|2,0,0]=4 6131 B9R0.46 COCCNC[C@H](C)CO 31010bc9e56dd5bdff9b88d523673719 [0,2,0,0,0,0|2,0,0]=4 6132 B9R0.46 COCCNC[C@H](C)OC a9e2f8249bd78e1918cb9f71316b204d [0,2,0,0,0,0|2,0,0]=4 6133 B9R0.46 COCCNC[C@H](F)CO 356c9b26499ea9456a619b5650e9b358 [0,2,0,0,0,0|2,0,0]=4 6134 B9R0.46 COCCNC[C@H](O)CO cc89f689671d15e46f96ec5d7edaaf63 [0,2,0,0,0,0|2,0,0]=4 6135 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [0,2,0,0,0,0|1,0,1]=4 6136 B9R0.46 COCCOCC(Br)CBr d604c9f194d52184ce3f810005e14a04 [0,2,0,0,0,0|1,0,0]=3 6137 B9R0.46 COCCOCC(C)C#N 754c09a685cc8176e7df00a65cb58b63 [0,2,0,0,0,0|1,0,1]=4 6138 B9R0.46 COCCOCC(C)OC 1c52802edc1c5447aa3ce7f3c39a2560 [0,2,0,0,0,0|1,0,0]=3 6139 B9R0.46 COCCOCC(Cl)CCl bb907a040383c818e3116825e6163393 [0,2,0,0,0,0|1,0,0]=3 6140 B9R0.46 COCCOCC(O)CO d04f3fbcfb2b23f1462544a61d684626 [0,2,0,0,0,0|1,0,0]=3 6141 B9R0.46 COCCOCC(S)CS 40441a04b90fc37a7ef368b4ed5948ef [0,2,0,0,0,0|1,0,0]=3 6142 B9R0.46 COCCOC[C@@H](C)OC 3de0a24161a44b4e98ef48fc8d31baec [0,2,0,0,0,0|1,0,0]=3 6143 B9R0.46 COCCOC[C@@H](O)CO db856f25e157c78d794a3a239a143fd6 [0,2,0,0,0,0|1,0,0]=3 6144 B9R0.46 COCCOC[C@H](C)OC 388e87c448c11bec13a23ed3d9b3213d [0,2,0,0,0,0|1,0,0]=3 6145 B9R0.46 COCCOC[C@H](O)CO 80ac70db22d31e9af9fe7a8cec5a1d67 [0,2,0,0,0,0|1,0,0]=3 6146 B9R0.46 COCNCCC(C)CO d88f24b62b7ecd8182f9fbda4a83515b [0,2,0,0,0,0|2,0,0]=4 6147 B9R0.46 COCNCCC(O)CO fb7b9cd6c23a73b68c8ba1204f67f804 [0,2,0,0,0,0|2,0,0]=4 6148 B9R0.46 COCNCC[C@@H](C)CO 10cdd5b6eaf8d92814e99375823b9580 [0,2,0,0,0,0|2,0,0]=4 6149 B9R0.46 COCOCCC(C)OC c10363eba52be493ba01d56f54253f9d [0,2,0,0,0,0|2,0,0]=4 6150 B9R0.46 CO[C@@H](C)CNCCCCl b9928b9eabd8253913d59a7b66403b15 [0,2,0,0,0,0|2,0,0]=4 6151 B9R0.46 CO[C@@H](C)CNCCCF 1e4fcd209f238218c6dda1c38b583b8a [0,2,0,0,0,0|2,0,0]=4 6152 B9R0.46 CO[C@@H](C)CNCCCO 1976568e1adf1496ab3e2ad75dac3c15 [0,2,0,0,0,0|2,0,0]=4 6153 B9R0.46 CO[C@@H](C)CNCCCS ed0272077738d545a35deb31ea0392e8 [0,2,0,0,0,0|2,0,0]=4 6154 B9R0.46 CO[C@@H](C)CNCCON 7d8a0e7881b61283d308e0ebcdb6aad7 [0,2,0,0,0,0|2,0,0]=4 6155 B9R0.46 CO[C@@H](C)CNCCSC 823d9783fd20223f0cfa5f930cc37e10 [0,2,0,0,0,0|2,0,0]=4 6156 B9R0.46 CO[C@@H](C)COCCC#N a70295773225e5601afe29cf424d58b9 [0,2,0,0,0,0|1,0,1]=4 6157 B9R0.46 CO[C@@H](C)COCCC=O 2d8c32f25fa94583e225dee2b9906562 [0,2,0,0,0,0|1,0,1]=4 6158 B9R0.46 CO[C@@H](C)COCCCF 25e6b3dc4e822991a2156a2fd9c4b387 [0,2,0,0,0,0|1,0,0]=3 6159 B9R0.46 CO[C@@H](C)COCCCS 54d9b3254e15ce4f2de74e1525c51b0d [0,2,0,0,0,0|1,0,0]=3 6160 B9R0.46 CO[C@@H](C)COCCSC 06d7c64c32a29bcd6c4c052301655847 [0,2,0,0,0,0|1,0,0]=3 6161 B9R0.46 CO[C@H](C)CNCCCCl 20b53700c98c3cf9048e1e837afa9881 [0,2,0,0,0,0|2,0,0]=4 6162 B9R0.46 CO[C@H](C)CNCCCF 85b8ff251e7ba42d4606430f37e88484 [0,2,0,0,0,0|2,0,0]=4 6163 B9R0.46 CO[C@H](C)CNCCCO 36dd9487d524339155e42b1e462c2d23 [0,2,0,0,0,0|2,0,0]=4 6164 B9R0.46 CO[C@H](C)CNCCCS 857de30bb2039db3f630d9573bbea95d [0,2,0,0,0,0|2,0,0]=4 6165 B9R0.46 CO[C@H](C)CNCCON 60018461d64c3daad3f4064f25a77f42 [0,2,0,0,0,0|2,0,0]=4 6166 B9R0.46 CO[C@H](C)CNCCSC f3d48b9147b91667148120f98170f240 [0,2,0,0,0,0|2,0,0]=4 6167 B9R0.46 CO[C@H](C)COCCC#N e48195e0e2702c963ceb31decb4d335a [0,2,0,0,0,0|1,0,1]=4 6168 B9R0.46 CO[C@H](C)COCCC=O db37f78f0a842b040b6f83c3ddcdcebc [0,2,0,0,0,0|1,0,1]=4 6169 B9R0.46 CO[C@H](C)COCCCF d9721241904a3283f1aa86cc5a406be9 [0,2,0,0,0,0|1,0,0]=3 6170 B9R0.46 CO[C@H](C)COCCCS 5450c9dad547b878419170c4d40f499c [0,2,0,0,0,0|1,0,0]=3 6171 B9R0.46 CO[C@H](C)COCCSC 52a88c9bc4239f0e6e0ce23024040490 [0,2,0,0,0,0|1,0,0]=3 6172 B9R0.46 CSCCCNC(=O)CO ce8082938571d6f8f53b5bb113c8236b [0,2,0,0,0,0|1,0,1]=4 6173 B9R0.46 CSCCCNC(C)CO f9b2335a9b45a798ff86c3642062f1aa [0,2,0,0,0,0|1,0,0]=3 6174 B9R0.46 CSCCCN[C@@H](C)CO 2ac68c26cd2b56cba9c5765d0e89f9d7 [0,2,0,0,0,0|1,0,0]=3 6175 B9R0.46 CSCCCN[C@H](C)CO 04619fd4ff06c56c6bf65026fcd8e417 [0,2,0,0,0,0|1,0,0]=3 6176 B9R0.46 CSCCCOC(C)C#N d24591a8019fa611a604f8a0f73deabe [0,2,0,0,0,0|1,0,1]=4 6177 B9R0.46 CSCCCOC(C)C=O 85ce6f2df0bf4eb3046e0837d7f2a789 [0,2,0,0,0,0|0,0,2]=4 6178 B9R0.46 CSCCCOC(C)CF f45fd11709b1b8ff8f9af41b3a12a29a [0,2,0,0,0,0|1,0,0]=3 6179 B9R0.46 CSCCCOC(C)CS d39cce5b87adf6dde2c8630ff6744ae2 [0,2,0,0,0,0|0,1,0]=3 6180 B9R0.46 CSCCCO[C@H](C)C=O ac3078874cb1236d51f37e300aadddf1 [0,2,0,0,0,0|0,0,2]=4 6181 B9R0.46 CSCCCO[C@H](C)CS 2c3d7ce62e92ac573dc651a7e7327f87 [0,2,0,0,0,0|0,1,0]=3 6182 B9R0.46 CSCCNCC(=O)CO 7c89e5a1f006448fd613535cd28802ad [0,2,0,0,0,0|2,0,0]=4 6183 B9R0.46 CSCCNCC(C)CO d5c5a7d1e5720bfcf26d03a9798e085e [0,2,0,0,0,0|2,0,0]=4 6184 B9R0.46 CSCCNCC(F)CO 2e218fcdea573b8cab52307254adb422 [0,2,0,0,0,0|2,0,0]=4 6185 B9R0.46 CSCCNCC(O)CF 12028f2db9f52a93d84f21a7432f8955 [0,2,0,0,0,0|2,0,0]=4 6186 B9R0.46 CSCCNCC(O)CO 94e23d524b095070831f1debf4b9828e [0,2,0,0,0,0|2,0,0]=4 6187 B9R0.46 CSCCNC[C@@H](C)CO a0983802213bf5a9aa526535dbae62a4 [0,2,0,0,0,0|2,0,0]=4 6188 B9R0.46 CSCCNC[C@@H](F)CO 53d2c5e001391e558973b2cbc03d656c [0,2,0,0,0,0|2,0,0]=4 6189 B9R0.46 CSCCNC[C@@H](O)CO 126abc7253407343d6ddca8f0d400cf1 [0,2,0,0,0,0|2,0,0]=4 6190 B9R0.46 CSCCNC[C@H](C)CO 392c262ee5137f21cd8b7a6d2950a531 [0,2,0,0,0,0|2,0,0]=4 6191 B9R0.46 CSCCNC[C@H](F)CO f7f7456240858e8a600299a34da190bc [0,2,0,0,0,0|2,0,0]=4 6192 B9R0.46 CSCCNC[C@H](O)CO 1543df60168a677256863fc1192179ea [0,2,0,0,0,0|2,0,0]=4 6193 B9R0.46 CSCCOCC(Br)CBr f9898fc3b8040f1562e5bd3cd7a842dd [0,2,0,0,0,0|1,1,0]=4 6194 B9R0.46 CSCCOCC(C)C#N b114638203672af9008c13aa49b97400 [0,2,0,0,0,0|2,0,0]=4 6195 B9R0.46 CSCCOCC(Cl)CCl 592ab802e1d0046658d5dc5bc061132a [0,2,0,0,0,0|1,1,0]=4 6196 B9R0.46 CSCCOCC(O)CO f56ccfbe6413d41c8c42d0aeffe80426 [0,2,0,0,0,0|1,0,0]=3 6197 B9R0.46 CSCCOCC(S)CS 5aa07a2d95bee3967e45ea5c3e1e6547 [0,2,0,0,0,0|1,1,0]=4 6198 B9R0.46 CSCCOC[C@@H](O)CO 9df2c11b20a79f2230ddc2ae9d516243 [0,2,0,0,0,0|1,0,0]=3 6199 B9R0.46 CSCCOC[C@H](O)CO 5906c86c8a799750f715d47a627fa8f9 [0,2,0,0,0,0|1,0,0]=3 6200 B9R0.46 CSCNCCC(C)CO d2aae1bd6191dac57437f81b7e660846 [0,2,0,0,0,0|2,0,0]=4 6201 B9R0.46 CSCNCCC(O)CO 1c366acdcf93655567cca8d2fa40cf82 [0,2,0,0,0,0|2,0,0]=4 6202 B9R0.46 CSCNCC[C@@H](C)CO 2a1b6288342e39b412466309c3e5b265 [0,2,0,0,0,0|2,0,0]=4 6203 B9R0.46 C[C@@H](CO)CCNCCF 28b25064a9a418a27848a92c8e0c1810 [0,2,0,0,0,0|2,0,0]=4 6204 B9R0.46 C[C@@H](CO)CCNCCO b2d9277a49669a118c38a25874b49f73 [0,2,0,0,0,0|1,0,0]=3 6205 B9R0.46 C[C@@H](CO)CCNCCS a0895a8c4f047678d4d6e8eba3a802bb [0,2,0,0,0,0|1,1,0]=4 6206 B9R0.46 C[C@@H](CO)CNCCCCl a3c970ccca697a7bfe63a8a992714957 [0,2,0,0,0,0|2,0,0]=4 6207 B9R0.46 C[C@@H](CO)CNCCCO a68f98f5803fecf2b612cec3b2749b80 [0,2,0,0,0,0|2,0,0]=4 6208 B9R0.46 C[C@@H](CO)CNCCON 21df09fcb2cbb2ae94fa265bb6ea8d45 [0,2,0,0,0,0|2,0,0]=4 6209 B9R0.46 C[C@@H](CO)NCCCC#N 43a330d6136c5d111a00200022900392 [0,2,0,0,0,0|1,0,1]=4 6210 B9R0.46 C[C@@H](CO)NCCCC=O 32999263e3d3a4c5346151fa32e8decd [0,2,0,0,0,0|1,0,1]=4 6211 B9R0.46 C[C@@H](CO)NCCCCCl 53624a0c45ed49994fae6efd64c29d85 [0,2,0,0,0,0|1,0,0]=3 6212 B9R0.46 C[C@@H](CO)NCCCCF d3d0baba816b408776739c4d5549e805 [0,2,0,0,0,0|1,0,0]=3 6213 B9R0.46 C[C@@H](CO)NCCCCO 33c96a11b7be88ac01be26b61f2a5038 [0,2,0,0,0,0|1,0,0]=3 6214 B9R0.46 C[C@@H](CO)NCCCCS 3bcc9daa6c01d6e14f614e134ea7bac7 [0,2,0,0,0,0|1,0,0]=3 6215 B9R0.46 C[C@H](C=O)NCCCCO eb09c7f19ebf18215ec378c737164712 [0,2,0,0,0,0|2,0,0]=4 6216 B9R0.46 C[C@H](C=O)OCCCCF f7bf3d2a1c35392a291f6751000fb4da [0,2,0,0,0,0|0,0,2]=4 6217 B9R0.46 C[C@H](C=O)OCCCCS 5d26a25ff8edfe0f5f9804badd01e01e [0,2,0,0,0,0|0,0,2]=4 6218 B9R0.46 C[C@H](CO)CNCCCCl c9e86ae918c5b2652f763666ba0e165b [0,2,0,0,0,0|2,0,0]=4 6219 B9R0.46 C[C@H](CO)CNCCCF 2cbba16748ac3230547756cde2eb9a16 [0,2,0,0,0,0|2,0,0]=4 6220 B9R0.46 C[C@H](CO)CNCCCO 56086e98b294fc135e9a351e2c5854c8 [0,2,0,0,0,0|2,0,0]=4 6221 B9R0.46 C[C@H](CO)CNCCCS 4c9e57d1c93d8f9b0a0b3e8d78097558 [0,2,0,0,0,0|2,0,0]=4 6222 B9R0.46 C[C@H](CO)CNCCON 94658198ccf791a2b690d79a20614594 [0,2,0,0,0,0|2,0,0]=4 6223 B9R0.46 C[C@H](CO)NCCCC#N eb99902ee445f0768dfedcacc03f530c [0,2,0,0,0,0|1,0,1]=4 6224 B9R0.46 C[C@H](CO)NCCCC=O a5dd3b34cfb9d476a44ac4ee4e2c185d [0,2,0,0,0,0|1,0,1]=4 6225 B9R0.46 C[C@H](CO)NCCCCCl 7314da415a5cfb8fedb17c0d4c551167 [0,2,0,0,0,0|1,0,0]=3 6226 B9R0.46 C[C@H](CO)NCCCCF 2335b3d6681f83ccb4b3dd51cb1d5377 [0,2,0,0,0,0|1,0,0]=3 6227 B9R0.46 C[C@H](CO)NCCCCO 57aa1aa60d22e63a299f59472c62196e [0,2,0,0,0,0|1,0,0]=3 6228 B9R0.46 C[C@H](CO)NCCCCS f907c102a3197c30b7989460c88857d6 [0,2,0,0,0,0|1,0,0]=3 6229 B9R0.46 C[C@H](CS)OCCCC#N e8740ceb1b74b5722f2772a834753f6e [0,2,0,0,0,0|0,1,1]=4 6230 B9R0.46 C[C@H](CS)OCCCC=O d09a6f242723d9211fa1abbf74bce5bb [0,2,0,0,0,0|0,1,1]=4 6231 B9R0.46 C[C@H](CS)OCCCCF 9342fa3f92d8f57aa7342744e2ef55bc [0,2,0,0,0,0|0,1,0]=3 6232 B9R0.46 FCCCOCC(Br)CBr 7f2e94fb803d77946f998035dddfb008 [0,2,0,0,0,0|2,0,0]=4 6233 B9R0.46 FCCCOCC(Cl)CCl fd8ff7a311deb66e304f452899a2922b [0,2,0,0,0,0|2,0,0]=4 6234 B9R0.46 FCCCOCC(S)CS d00e73cfb2f3356cb17006bf82edd6d2 [0,2,0,0,0,0|1,1,0]=4 6235 B9R0.46 N#CCCOCC(Br)CBr 5b0bb03e0a4745f60686a11b28b174a3 [0,2,0,0,0,0|2,0,0]=4 6236 B9R0.46 N#CCCOCC(Cl)CCl 2e1afb9aa3aaa78be1a70ba6f26e6a11 [0,2,0,0,0,0|2,0,0]=4 6237 B9R0.46 N#CCCOCC(O)CO 702948622469a92d65a5ebba547e1208 [0,2,0,0,0,0|1,0,1]=4 6238 B9R0.46 N#CCCOCC(S)CS 014f7b90a78eff108bfaa8443809430a [0,2,0,0,0,0|2,0,0]=4 6239 B9R0.46 N#CCCOC[C@@H](O)CO 79354af686eca9838f767bf28356a641 [0,2,0,0,0,0|1,0,1]=4 6240 B9R0.46 N#CCCOC[C@H](O)CO e1afc95fb6765c23f450b7307d0876bc [0,2,0,0,0,0|1,0,1]=4 6241 B9R0.46 NOCCNCC(O)CF f2dc24d205b539fd0599ed54e482f660 [0,2,0,0,0,0|2,0,0]=4 6242 B9R0.46 NOCCNCC(O)CO 574ecb3c9dae842cf15faa234ca5efc3 [0,2,0,0,0,0|2,0,0]=4 6243 B9R0.46 NOCCNC[C@@H](O)CO f02b587a0adf3f74d3392dbf40322363 [0,2,0,0,0,0|2,0,0]=4 6244 B9R0.46 NOCCNC[C@H](O)CO c5e162c5a2dabfb115f8eaca7821f81a [0,2,0,0,0,0|2,0,0]=4 6245 B9R0.46 O=C(CO)CNCCCCl 8c6bfe8efa640a8717c55064de15a6cf [0,2,0,0,0,0|2,0,0]=4 6246 B9R0.46 O=C(CO)CNCCCO 3c1be4b73536b5d9eb97bb93f1f5b814 [0,2,0,0,0,0|2,0,0]=4 6247 B9R0.46 O=C(CO)NCCCCCl f0ad0ac6e2645bb25ea69c74141c8d38 [0,2,0,0,0,0|1,0,1]=4 6248 B9R0.46 O=C(CO)NCCCCO 063fc2727d5485e0a8fd8539cfb094c8 [0,2,0,0,0,0|1,0,1]=4 6249 B9R0.46 O=C(CO)NCCCCS 317b4fdfe03e7ecdf2b9dbde8ca0a55e [0,2,0,0,0,0|1,0,1]=4 6250 B9R0.46 O=CCCOCC(Br)CBr e07361fb2e61eb3b6112f6ddbb5cb56d [0,2,0,0,0,0|1,0,1]=4 6251 B9R0.46 O=CCCOCC(Cl)CCl b4781f152e0fa5cd93f6e91bc39c8358 [0,2,0,0,0,0|1,0,1]=4 6252 B9R0.46 O=CCCOCC(O)CO 53480de88d7a20a84ad4df0dba0f3eac [0,2,0,0,0,0|1,0,1]=4 6253 B9R0.46 O=CCCOCC(S)CS 9b6ef62958959ed8017b6a4c0fb69249 [0,2,0,0,0,0|1,0,1]=4 6254 B9R0.46 O=CCCOC[C@@H](O)CO ef2f507bccdd84d0c39d37ba8fd15058 [0,2,0,0,0,0|1,0,1]=4 6255 B9R0.46 O=CCCOC[C@H](O)CO 77cb19d7bfed29451009fb29f3e004e3 [0,2,0,0,0,0|1,0,1]=4 6256 B9R0.46 OC(CF)CNCCCCl 292fbafa7230c895e31a329d3e6aa2f5 [0,2,0,0,0,0|2,0,0]=4 6257 B9R0.46 OCC(F)CNCCCF 6e033c890ec117a6cd5d3a36281cde7e [0,2,0,0,0,0|2,0,0]=4 6258 B9R0.46 OCC(F)CNCCCS 0b79b10e719dfde6ae771b2f9f574455 [0,2,0,0,0,0|2,0,0]=4 6259 B9R0.46 OCC(O)CCNCCF 8fa8e79834b535985ffeb30e7d18888f [0,2,0,0,0,0|2,0,0]=4 6260 B9R0.46 OCC(O)CCNCCS bf728db215cc2c11b1c3f72f6a2d547f [0,2,0,0,0,0|1,1,0]=4 6261 B9R0.46 OCC(O)CNCCCCl 77c5656aee6fec75adf72fa43ba9e861 [0,2,0,0,0,0|2,0,0]=4 6262 B9R0.46 OCC(O)CNCCCF 36ab8d6319eb5716d571ab9be3790fa9 [0,2,0,0,0,0|2,0,0]=4 6263 B9R0.46 OCC(O)CNCCCS 19c592e70dcbfa92afb84181d7e68cab [0,2,0,0,0,0|2,0,0]=4 6264 B9R0.46 OCC(O)COCCCF e7041c91598c4206cf27f00ca0997133 [0,2,0,0,0,0|1,0,0]=3 6265 B9R0.46 OCC(O)COCCCS f1176bb495d42cf6684997708d149ee5 [0,2,0,0,0,0|1,0,0]=3 6266 B9R0.46 OCCCNCC(Br)CBr b16364a3085063f0c35a0df10a16170c [0,2,0,0,0,0|2,0,0]=4 6267 B9R0.46 OCCCNCC(F)CO 742825cf9e74af8b43f1157d79ca61da [0,2,0,0,0,0|2,0,0]=4 6268 B9R0.46 OCCCNCC(O)CF a493da2bb12ba6c18eddfff9f136eea0 [0,2,0,0,0,0|2,0,0]=4 6269 B9R0.46 OCCCNCC(O)CO e3e37dd0719f535ee680fe351f72ee3d [0,2,0,0,0,0|2,0,0]=4 6270 B9R0.46 OCCCNC[C@@H](F)CO ab86a06e41239a4ff97373044a613782 [0,2,0,0,0,0|2,0,0]=4 6271 B9R0.46 OCCCNC[C@@H](O)CO a0e4a506ad2dbb03ae3a4a725ae359fc [0,2,0,0,0,0|2,0,0]=4 6272 B9R0.46 OCCCNC[C@H](F)CO a31fb37f5c2c00189f398007d1c14b0a [0,2,0,0,0,0|2,0,0]=4 6273 B9R0.46 OCCCNC[C@H](O)CO 4e9a75ba10b4c23756a22cf9437b571c [0,2,0,0,0,0|2,0,0]=4 6274 B9R0.46 OCCNCCC(O)CO b61589340bc352aac57b258c0ddb07ad [0,2,0,0,0,0|1,0,0]=3 6275 B9R0.46 OC[C@@H](F)CNCCCF d29a86dfcfc1f54ac9a145877520dbcf [0,2,0,0,0,0|2,0,0]=4 6276 B9R0.46 OC[C@@H](F)CNCCCS d1b23c8548e00c879fe657602b14d74e [0,2,0,0,0,0|2,0,0]=4 6277 B9R0.46 OC[C@@H](O)CNCCCCl f592d17a71450eb526495cd3c0b163f6 [0,2,0,0,0,0|2,0,0]=4 6278 B9R0.46 OC[C@@H](O)CNCCCF 5a212c3377b2dfa831f79cc66e9f21f3 [0,2,0,0,0,0|2,0,0]=4 6279 B9R0.46 OC[C@@H](O)CNCCCS 11ef27a788595c1d50553f1ad09770e3 [0,2,0,0,0,0|2,0,0]=4 6280 B9R0.46 OC[C@@H](O)COCCCF 5f4c61ca1a2e178a8e9f460221c18cba [0,2,0,0,0,0|1,0,0]=3 6281 B9R0.46 OC[C@@H](O)COCCCS 0207642497fa81ecece3ca17b8cf9b27 [0,2,0,0,0,0|1,0,0]=3 6282 B9R0.46 OC[C@H](F)CNCCCF 749dfdd0b4889462347853e9faddcd22 [0,2,0,0,0,0|2,0,0]=4 6283 B9R0.46 OC[C@H](F)CNCCCS ca65a80b32bd3de6ad0f9f0bf181c6fe [0,2,0,0,0,0|2,0,0]=4 6284 B9R0.46 OC[C@H](O)CNCCCCl 7aaa1c59055fdc8664d52aa9020dd8d3 [0,2,0,0,0,0|2,0,0]=4 6285 B9R0.46 OC[C@H](O)CNCCCF 3131d8842f4be3b23cc0983d380f8aa7 [0,2,0,0,0,0|2,0,0]=4 6286 B9R0.46 OC[C@H](O)CNCCCS 2b8e64607fca57091fb83d474fd58ded [0,2,0,0,0,0|2,0,0]=4 6287 B9R0.46 OC[C@H](O)COCCCF aad9395763c971642ad7c013d3557ba5 [0,2,0,0,0,0|1,0,0]=3 6288 B9R0.46 OC[C@H](O)COCCCS 0b694b9fbacfb23c5e3f3b007ea5d0da [0,2,0,0,0,0|1,0,0]=3 6289 B9R0.46 SCCCOCC(Br)CBr b37609dc1c8258a6658ce5601dcc9661 [0,2,0,0,0,0|1,1,0]=4 6290 B9R0.46 SCCCOCC(Cl)CCl 9adee6ecd66c2ca6f52078751ea6da5c [0,2,0,0,0,0|1,1,0]=4 6291 B9R0.46 SCCCOCC(S)CS c5e5225e704790cc7218f5d1432d9432 [0,2,0,0,0,0|1,1,0]=4 6292 B9R0.1 C#CC(C)OCCC(C)C 990375d5c78a08e4c44316af9b728e30 [0,2,0,0,0,0|1,0,1]=4 6293 B9R0.1 C#C[C@@H](C)OCCC(C)C 39ba57b16a6b29bc0d4fad775a85d51c [0,2,0,0,0,0|1,0,1]=4 6294 B9R0.1 C#C[C@H](C)OCCC(C)C 2059f654ec883d0e01e2a74ad6f88ffb [0,2,0,0,0,0|1,0,1]=4 6295 B9R0.1 C=C(Br)COCC(C)CC e3c93140f7f9139cbd63ce3d8b91006f [0,2,0,0,0,0|1,0,1]=4 6296 B9R0.1 C=C(Br)COC[C@@H](C)CC 80766ee122c1e21cd3669d6da61c1402 [0,2,0,0,0,0|1,0,1]=4 6297 B9R0.1 C=C(Br)COC[C@H](C)CC 30d0d8ee9b254c321f85f05ca5650727 [0,2,0,0,0,0|1,0,1]=4 6298 B9R0.1 C=C(C)CCNC(C)CO ac966c28a89582f8060cba5a7301f2b8 [0,2,0,0,0,0|1,0,1]=4 6299 B9R0.1 C=C(C)CCN[C@@H](C)CO 273de8c1bb753e4c3d8457c3193e87fe [0,2,0,0,0,0|1,0,1]=4 6300 B9R0.1 C=C(C)CCN[C@H](C)CO d884b29f564b107dd51d2cadd9b6f1ec [0,2,0,0,0,0|1,0,1]=4 6301 B9R0.1 C=C(C)CCOC(C)CC c1ab39b33b060b66872a7a99cb42b49c [0,2,0,0,0,0|1,0,1]=4 6302 B9R0.1 C=C(C)CCOC(C)CF 648cb84bc50bac79dac97c94941ff4a4 [0,2,0,0,0,0|1,0,1]=4 6303 B9R0.1 C=C(C)CCOC(C)CS 5032e01b8cb20f32da90ad67265daf4a [0,2,0,0,0,0|0,1,1]=4 6304 B9R0.1 C=C(C)CCO[C@@H](C)CC 1a113e19745c74a32b97d0777a65f856 [0,2,0,0,0,0|1,0,1]=4 6305 B9R0.1 C=C(C)CCO[C@H](C)CC 10f668905abfc9df65d3d95b2b060ce8 [0,2,0,0,0,0|1,0,1]=4 6306 B9R0.1 C=C(C)CCO[C@H](C)CS 44446d5c13086cb9a373d0cb6e7f9771 [0,2,0,0,0,0|0,1,1]=4 6307 B9R0.1 C=C(C)COCC(C)CC 3adee05156cf1068a7c305dcd2622cc9 [0,2,0,0,0,0|1,0,1]=4 6308 B9R0.1 C=C(C)COC[C@@H](C)CC a9f511de537b539852049654668eb445 [0,2,0,0,0,0|1,0,1]=4 6309 B9R0.1 C=C(C)COC[C@H](C)CC 7d2830ec8db581fdaca9ec3884531144 [0,2,0,0,0,0|1,0,1]=4 6310 B9R0.1 C=C(CC)CNCC(C)O 9ad70cef66f7cc9126e041697212d2f8 [0,2,0,0,0,0|1,0,1]=4 6311 B9R0.1 C=C(CC)CNC[C@@H](C)O f6b87dc1b913103a2e2c15cfea378c9c [0,2,0,0,0,0|1,0,1]=4 6312 B9R0.1 C=C(CC)CNC[C@H](C)O 375c2730045f4149617bf401beaea96b [0,2,0,0,0,0|1,0,1]=4 6313 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [0,2,0,0,0,0|0,0,2]=4 6314 B9R0.1 C=C(CC)COCC(C)C 0cc98b8b2f556725175a011e62258e27 [0,2,0,0,0,0|1,0,1]=4 6315 B9R0.1 C=C(CC)COCC(C)F b36668df105bf1f4d4190f8bed2d2dd9 [0,2,0,0,0,0|1,0,1]=4 6316 B9R0.1 C=C(CC)COCC(C)S e2dad71342e28fcfcdd5bfae94b2fa81 [0,2,0,0,0,0|0,1,1]=4 6317 B9R0.1 C=C(CC)COCC(F)F dca94b727214a05e654d5a9115cf9a70 [0,2,0,0,0,0|1,0,1]=4 6318 B9R0.1 C=C(CC)COCS(=O)O 7aab1649717de3c8233335d122bd8463 [0,2,0,0,0,0|1,0,1]=4 6319 B9R0.1 C=C(CC)COC[C@@H](C)F 29a5745fe5902bd2a48546030eba10d2 [0,2,0,0,0,0|1,0,1]=4 6320 B9R0.1 C=C(CC)COC[C@H](C)F d480eac13a3a9a5513a1c0d8276bba3d [0,2,0,0,0,0|1,0,1]=4 6321 B9R0.1 C=C(Cl)COCC(C)CC 8e12aa49282ca4c7aa5e587f6776b5d0 [0,2,0,0,0,0|1,0,1]=4 6322 B9R0.1 C=C(Cl)COC[C@@H](C)CC d6c8c8ec8af5460477d1adf7526bd82b [0,2,0,0,0,0|1,0,1]=4 6323 B9R0.1 C=C(Cl)COC[C@H](C)CC 26b9477bafe654353a35ccf76484b54b [0,2,0,0,0,0|1,0,1]=4 6324 B9R0.1 C=C(F)COCC(C)CC e971ce5b3a2f222771833358944ad7b1 [0,2,0,0,0,0|1,0,1]=4 6325 B9R0.1 C=C(F)COC[C@@H](C)CC 8754031d741b3a81e01246240a2af29d [0,2,0,0,0,0|1,0,1]=4 6326 B9R0.1 C=C(F)COC[C@H](C)CC 053b257de75e3ab9fbda44f561cf7b93 [0,2,0,0,0,0|1,0,1]=4 6327 B9R0.1 C=C(I)COCC(C)CC 6a37480b984d6a3a88d2a97c430f900f [0,2,0,0,0,0|1,0,1]=4 6328 B9R0.1 C=C(I)COC[C@@H](C)CC ebcd6aead02ff5da05d6692ec4f20a14 [0,2,0,0,0,0|1,0,1]=4 6329 B9R0.1 C=C(I)COC[C@H](C)CC 7cecb5a281b9320016babbf18a636c32 [0,2,0,0,0,0|1,0,1]=4 6330 B9R0.1 C=CC(C)OCCC(C)C e46c6d9ac740df5977e8822742859261 [0,2,0,0,0,0|1,0,1]=4 6331 B9R0.1 C=C[C@H](C)OCCC(C)C 1851092b6455955b808276d41966666f [0,2,0,0,0,0|1,0,1]=4 6332 B9R0.1 CC(=O)CCNC(C)CO 01ba95f6b1e359cb3c703695e54af8f9 [0,2,0,0,0,0|1,0,1]=4 6333 B9R0.1 CC(=O)CCN[C@@H](C)CO cfee917e546e694eb8cfec1ddb21f4ff [0,2,0,0,0,0|1,0,1]=4 6334 B9R0.1 CC(=O)CCN[C@H](C)CO 6a8f8df3011cfcce7cd31192a422cdd8 [0,2,0,0,0,0|1,0,1]=4 6335 B9R0.1 CC(=O)CCOC(C)CF 2b40c92c280f522bdc6bcc23530c56f2 [0,2,0,0,0,0|1,0,1]=4 6336 B9R0.1 CC(=O)CCOC(C)CS 727af9312bf0bae1f3dfb371a20f5514 [0,2,0,0,0,0|0,1,1]=4 6337 B9R0.1 CC(=O)CCO[C@H](C)CS ca9c10e49fb951095de6ae1c1ca5c0e6 [0,2,0,0,0,0|0,1,1]=4 6338 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,2,0,0,0,0|1,0,1]=4 6339 B9R0.1 CC(C)CCNC(C)CO aa430967dd331e3519a6dcdcfc13b090 [0,2,0,0,0,0|1,0,0]=3 6340 B9R0.1 CC(C)CCN[C@@H](C)CO 001e01f3546de52ffc9bebb68e24b6f7 [0,2,0,0,0,0|1,0,0]=3 6341 B9R0.1 CC(C)CCN[C@H](C)CO 31f7661466d06c5fb902c8e44c148203 [0,2,0,0,0,0|1,0,0]=3 6342 B9R0.1 CC(C)CCOC(C)C#N 0dfc439576b31dd2a427bcb349cc580f [0,2,0,0,0,0|1,0,1]=4 6343 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [0,2,0,0,0,0|0,0,2]=4 6344 B9R0.1 CC(C)CCOC(C)CF 15a51ebc2fe54421e1cbae3749791711 [0,2,0,0,0,0|1,0,0]=3 6345 B9R0.1 CC(C)CCOC(C)CS ca0338d0fbe5de79fa40b649ba054b3c [0,2,0,0,0,0|0,1,0]=3 6346 B9R0.1 CC(C)CCOC(F)C#N 4babd1c533f8b6d4a4e2d09344d8c08b [0,2,0,0,0,0|1,0,1]=4 6347 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [0,2,0,0,0,0|0,0,2]=4 6348 B9R0.1 CC(C)CCO[C@H](C)CS f04d2e77c5253d6099a1c503e54a2d8d [0,2,0,0,0,0|0,1,0]=3 6349 B9R0.1 CC(C)CNCC(C)CO 2a64f45bbf7f87898c449dde5e36c0b6 [0,2,0,0,0,0|2,0,0]=4 6350 B9R0.1 CC(C)CNCC(F)CO 0979b1d14e9cbfc4cc7d38e0a73905ca [0,2,0,0,0,0|2,0,0]=4 6351 B9R0.1 CC(C)CNCC(O)CO 70090963fc294f550f87723651f6534a [0,2,0,0,0,0|2,0,0]=4 6352 B9R0.1 CC(C)CNC[C@@H](C)CO 95362823e51b3806e49376eaf3a8805e [0,2,0,0,0,0|2,0,0]=4 6353 B9R0.1 CC(C)CNC[C@@H](F)CO 98d315fb9ffb69c107d70827115cce1d [0,2,0,0,0,0|2,0,0]=4 6354 B9R0.1 CC(C)CNC[C@@H](O)CO ff288feaf39d9e7defe59f5031593382 [0,2,0,0,0,0|2,0,0]=4 6355 B9R0.1 CC(C)CNC[C@H](C)CO 940c9a5067c16f348aef905a718c2be7 [0,2,0,0,0,0|2,0,0]=4 6356 B9R0.1 CC(C)CNC[C@H](F)CO 84205de913b42a2286a91c04e886a84b [0,2,0,0,0,0|2,0,0]=4 6357 B9R0.1 CC(C)CNC[C@H](O)CO ddf90ce95f81ac4c65caea793fcf3d10 [0,2,0,0,0,0|2,0,0]=4 6358 B9R0.1 CC(C)COCC(Br)CBr 623b24716e3761a1c3ecc76b718298c1 [0,2,0,0,0,0|2,0,0]=4 6359 B9R0.1 CC(C)COCC(Cl)CCl 43cc1d8fcb598cd83638613567d15b19 [0,2,0,0,0,0|2,0,0]=4 6360 B9R0.1 CC(C)COCC(O)CO eb8712e8913a9c688b35e925b2e5bbea [0,2,0,0,0,0|2,0,0]=4 6361 B9R0.1 CC(C)COCC(S)CS 2c60343e8bbc0569a84f4e6119884cd6 [0,2,0,0,0,0|2,0,0]=4 6362 B9R0.1 CC(C)COC[C@@H](O)CO 4c6015ee7239cce21edd58afd8afe947 [0,2,0,0,0,0|2,0,0]=4 6363 B9R0.1 CC(C)COC[C@H](O)CO f0e46b188479763ee2ac8fd0426fbb01 [0,2,0,0,0,0|2,0,0]=4 6364 B9R0.1 CC(C)NCCC(O)CO 49b1f2eeb94ad6141f31352b87c6f1d7 [0,2,0,0,0,0|2,0,0]=4 6365 B9R0.1 CC(C)NCC[C@@H](C)CO 0d44e2b3750a028fb6b8e0fd94d62e34 [0,2,0,0,0,0|2,0,0]=4 6366 B9R0.1 CC(C)OCN[C@@H](C)CO c25eaf53b154bf8aeb2d4d28aa2c2906 [0,2,0,0,0,0|2,0,0]=4 6367 B9R0.1 CC(C)OCN[C@H](C)CO fcc4e4c89bbcc005879fa66a15837c96 [0,2,0,0,0,0|2,0,0]=4 6368 B9R0.1 CC(C)OCOC(C)CF c0e413892085a68528fb92f367b81f8b [0,2,0,0,0,0|2,0,0]=4 6369 B9R0.1 CC(CF)OCCN(C)C 677347591ea8ef0ffc7f07d3f82137cc [0,2,0,0,0,0|2,0,0]=4 6370 B9R0.1 CC(CF)OCCS(=O)C 652f0bf12b1ba80eb6edec9f8fa7d326 [0,2,0,0,0,0|2,0,0]=4 6371 B9R0.1 CC(CO)CCNC(C)C 0398f6be4ce4d2b850f69ba682c08eca [0,2,0,0,0,0|2,0,0]=4 6372 B9R0.1 CC(CO)CNC[C@@H](C)O af2505fa57b75db9d3136b3baafbdb52 [0,2,0,0,0,0|2,0,0]=4 6373 B9R0.1 CC(CO)CNC[C@H](C)O 47e81ecb2a52d6ac0870c65e6c741612 [0,2,0,0,0,0|2,0,0]=4 6374 B9R0.1 CC(CO)NCCC(F)F 4961dadcc8f1f1fa3507ce6160f64976 [0,2,0,0,0,0|2,0,0]=4 6375 B9R0.1 CC(CO)NCCN(C)C 4965e5c15c9a4b0fa2e0145c434e0b5e [0,2,0,0,0,0|2,0,0]=4 6376 B9R0.1 CC(CO)NCCS(=O)C 91c144f6d01202ff5b938b857867e0f5 [0,2,0,0,0,0|2,0,0]=4 6377 B9R0.1 CC(CO)NCC[C@@H](C)O 8ac20fe5e438d57839d010ec09e515e0 [0,2,0,0,0,0|1,0,0]=3 6378 B9R0.1 CC(CO)NCC[C@H](C)O ad53b4c623e268f6c14e04be8e351bbe [0,2,0,0,0,0|1,0,0]=3 6379 B9R0.1 CC(CO)NCOC(C)C c2704c0ca330f66c361d5aa87196668a [0,2,0,0,0,0|2,0,0]=4 6380 B9R0.1 CC(CS)OCCN(C)C 8003a2018af57a89cee91fc8524faf4d [0,2,0,0,0,0|1,1,0]=4 6381 B9R0.1 CC(CS)OCCS(=O)C f093143e42354e129f956345174d3435 [0,2,0,0,0,0|1,1,0]=4 6382 B9R0.1 CC(F)COCC(O)CO 35d83f0f2fb6dfeddb7f2d4da5fcf4b9 [0,2,0,0,0,0|2,0,0]=4 6383 B9R0.1 CC(F)COC[C@@H](O)CO b41e5feedf67d4f18974abb86160a1f7 [0,2,0,0,0,0|2,0,0]=4 6384 B9R0.1 CC(F)COC[C@H](O)CO cdfd95832fdac7407b30ee8c8730aa34 [0,2,0,0,0,0|2,0,0]=4 6385 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,2,0,0,0,0|1,0,1]=4 6386 B9R0.1 CC(O)CCNC(C)CO 6f7e5384403a1428776ce25e5a48505b [0,2,0,0,0,0|1,0,0]=3 6387 B9R0.1 CC(O)CCN[C@@H](C)CO 796717b45cec7a98443fc0fa21987679 [0,2,0,0,0,0|1,0,0]=3 6388 B9R0.1 CC(O)CCN[C@H](C)CO fd0f70c5c17d11ec18124a0dd658e813 [0,2,0,0,0,0|1,0,0]=3 6389 B9R0.1 CC(O)CNCC(Br)CBr 5128398457eabb2952893de52160a7cf [0,2,0,0,0,0|2,0,0]=4 6390 B9R0.1 CC(O)CNCC(C)CO b578b3b6503ef5585dabddd81a94ef06 [0,2,0,0,0,0|2,0,0]=4 6391 B9R0.1 CC(O)CNCC(F)CO d4c0108ff22d26379d880aff98f4e772 [0,2,0,0,0,0|2,0,0]=4 6392 B9R0.1 CC(O)CNCC(O)CF ba8c935bf43ec0bd9c6df70fb43f4e5c [0,2,0,0,0,0|2,0,0]=4 6393 B9R0.1 CC(O)CNCC(O)CO 34956b2f4d1ab26c67115dc58a19b10c [0,2,0,0,0,0|2,0,0]=4 6394 B9R0.1 CC(O)CNC[C@@H](C)CO 52cd8533941f9881f8f8f65659d4cfbb [0,2,0,0,0,0|2,0,0]=4 6395 B9R0.1 CC(O)CNC[C@@H](F)CO c1bfaa6899f19648b684ab7dc8f54b3f [0,2,0,0,0,0|2,0,0]=4 6396 B9R0.1 CC(O)CNC[C@@H](O)CO e3183264c2c8eaeb2a8aa909d0925cf6 [0,2,0,0,0,0|2,0,0]=4 6397 B9R0.1 CC(O)CNC[C@H](C)CO b5b0c08f870e6e8468c38473c651f0b5 [0,2,0,0,0,0|2,0,0]=4 6398 B9R0.1 CC(O)CNC[C@H](F)CO d9e05bf7b5d58ef6218727295fc0b870 [0,2,0,0,0,0|2,0,0]=4 6399 B9R0.1 CC(O)CNC[C@H](O)CO 5adbc90f47c6983b35db892d684e6821 [0,2,0,0,0,0|2,0,0]=4 6400 B9R0.1 CC(S)COCC(O)CO 451f74235120de27169dcf91aacf8263 [0,2,0,0,0,0|1,1,0]=4 6401 B9R0.1 CC(S)COC[C@@H](O)CO b7f77fb7257029ead652459528eee928 [0,2,0,0,0,0|1,1,0]=4 6402 B9R0.1 CC(S)COC[C@H](O)CO b8acf7030764b8034eb399ca09665d2f [0,2,0,0,0,0|1,1,0]=4 6403 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,2,0,0,0,0|1,0,1]=4 6404 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,2,0,0,0,0|1,0,1]=4 6405 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,2,0,0,0,0|1,0,1]=4 6406 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [0,2,0,0,0,0|0,0,2]=4 6407 B9R0.1 CCC(=O)COCC(C)C 1c45ddeeaf5a279e0fccbc8ffb25aed9 [0,2,0,0,0,0|1,0,1]=4 6408 B9R0.1 CCC(=O)COCC(C)F 91df8a377e9f937cdf7b9a4dbc1d8ea9 [0,2,0,0,0,0|1,0,1]=4 6409 B9R0.1 CCC(=O)COCC(C)S d1be480c334d894200d3e9bbcc1d4bf5 [0,2,0,0,0,0|0,1,1]=4 6410 B9R0.1 CCC(=O)COCC(F)F c2c5fb500a4ef7915de6dad6aceb9f05 [0,2,0,0,0,0|1,0,1]=4 6411 B9R0.1 CCC(=O)COCS(=O)O 98632b158ffaf2399404c1c73005ee05 [0,2,0,0,0,0|1,0,1]=4 6412 B9R0.1 CCC(=O)COC[C@@H](C)F caad4436b920c8b328478f7df99675f5 [0,2,0,0,0,0|1,0,1]=4 6413 B9R0.1 CCC(=O)COC[C@H](C)F afd400ebd46039e71d2dcae521490671 [0,2,0,0,0,0|1,0,1]=4 6414 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,2,0,0,0,0|1,0,1]=4 6415 B9R0.1 CCC(C)CNCC(C)C c91ba420827669b78a17ab1723d3a41f [0,2,0,0,0,0|2,0,0]=4 6416 B9R0.1 CCC(C)CNCC(C)O 2565fefe893fb592504bf3eb9b9f9263 [0,2,0,0,0,0|1,0,0]=3 6417 B9R0.1 CCC(C)CNCC(F)F a58bde300044b81766430c2019ed6739 [0,2,0,0,0,0|2,0,0]=4 6418 B9R0.1 CCC(C)CNC[C@@H](C)O 3206056fc3d595c27a3727eeef23ed1b [0,2,0,0,0,0|1,0,0]=3 6419 B9R0.1 CCC(C)CNC[C@H](C)O 7518c3737ca09a588caddc5048aac33b [0,2,0,0,0,0|1,0,0]=3 6420 B9R0.1 CCC(C)COCC(=O)C bd04825963a18a80e53433b8af338adb [0,2,0,0,0,0|0,0,2]=4 6421 B9R0.1 CCC(C)COCC(=O)N 2a0ba5bb8f81333cdbeea70ace57393a [0,2,0,0,0,0|0,0,2]=4 6422 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,2,0,0,0,0|0,0,1]=3 6423 B9R0.1 CCC(C)COCC(=S)N 55ef566efc4ab6e72735313e0e433e49 [0,2,0,0,0,0|0,1,1]=4 6424 B9R0.1 CCC(C)COCC(C)C eaf8b156df77175e430aad40f45ec202 [0,2,0,0,0,0|1,0,0]=3 6425 B9R0.1 CCC(C)COCC(C)F b98d22ea4e740c66c537319457d66339 [0,2,0,0,0,0|1,0,0]=3 6426 B9R0.1 CCC(C)COCC(C)S cd5c780ecfd5c4ced47202b8da1dfb37 [0,2,0,0,0,0|0,1,0]=3 6427 B9R0.1 CCC(C)COCC(F)F 234b7e64e8a1febb15d1238a080d0a05 [0,2,0,0,0,0|1,0,0]=3 6428 B9R0.1 CCC(C)COCN(C)C 5eef896d483b5ee1bd7f19fb674c6015 [0,2,0,0,0,0|2,0,0]=4 6429 B9R0.1 CCC(C)COCS(=O)O aa2f448e10aac758f905eaea4ded0bb5 [0,2,0,0,0,0|1,0,0]=3 6430 B9R0.1 CCC(C)COC[C@@H](C)F 27c32f723d563b69cae144a25269a1ae [0,2,0,0,0,0|1,0,0]=3 6431 B9R0.1 CCC(C)COC[C@H](C)F 2c967d1863db61a457f880b0007613fc [0,2,0,0,0,0|1,0,0]=3 6432 B9R0.1 CCC(C)COC[N+](=O)[O-] 745f15624642a882da5b732a4eee2a0b [0,2,0,0,0,0|1,0,1]=4 6433 B9R0.1 CCC(C)NCCC(C)C 237b74bb8f3ac96e63644aaf6885a312 [0,2,0,0,0,0|2,0,0]=4 6434 B9R0.1 CCC(C)NCCC(C)O dda59110f1c0fb7493f1aaff05307dd4 [0,2,0,0,0,0|2,0,0]=4 6435 B9R0.1 CCC(C)NCC[C@@H](C)O fb3a959625849719803d70bc59f6fd53 [0,2,0,0,0,0|2,0,0]=4 6436 B9R0.1 CCC(C)NCC[C@H](C)O b64181209b00f8f962601d14c2173d61 [0,2,0,0,0,0|2,0,0]=4 6437 B9R0.1 CCC(C)OCCC(=O)C 3c4819c84edde006647b7f4661484ff1 [0,2,0,0,0,0|1,0,1]=4 6438 B9R0.1 CCC(C)OCCC(C)C ecabe412cdca600dcd92abc88ba6fc3b [0,2,0,0,0,0|1,0,0]=3 6439 B9R0.1 CCC(C)OCCC(F)F 7cf7899a3fad72416b41bc3c964ce0ec [0,2,0,0,0,0|2,0,0]=4 6440 B9R0.1 CCC(C)OCCN(C)C 2c34236cfc09dc27ca2b71263a05aec6 [0,2,0,0,0,0|2,0,0]=4 6441 B9R0.1 CCC(C)OCCS(=O)C e67f403f4904a01e724c3d61f00e1775 [0,2,0,0,0,0|2,0,0]=4 6442 B9R0.1 CCC(C)OCOC(C)C 17ca65f144a7475031fffff42375f583 [0,2,0,0,0,0|2,0,0]=4 6443 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,2,0,0,0,0|1,0,1]=4 6444 B9R0.1 CCC(O)CNCC(C)C 96e939095a17e5d84294536ccba3963b [0,2,0,0,0,0|2,0,0]=4 6445 B9R0.1 CCC(O)CNCC(C)O f9e9e374837b88a79d2fd4a7e9502440 [0,2,0,0,0,0|1,0,0]=3 6446 B9R0.1 CCC(O)CNCC(F)F d5ef9de462df60e48f34e05c2f9c97c0 [0,2,0,0,0,0|2,0,0]=4 6447 B9R0.1 CCC(O)CNC[C@@H](C)O e93a46e9017ba81255d29fcb8f02d039 [0,2,0,0,0,0|1,0,0]=3 6448 B9R0.1 CCC(O)CNC[C@H](C)O c3692e4e3ffac8dcd5c2ac3ffd24631b [0,2,0,0,0,0|1,0,0]=3 6449 B9R0.1 CCN(C)CCCC(C)O d0c3297e37577cc9f646df2cbf76e9af [0,2,0,0,0,0|2,0,0]=4 6450 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,2,0,0,0,0|1,0,1]=4 6451 B9R0.1 CC[C@@H](C)CNCC(C)C 36bf90d4df68d6ba1a435cae2e2652fe [0,2,0,0,0,0|2,0,0]=4 6452 B9R0.1 CC[C@@H](C)CNCC(C)O 0edb135055cb737a4bc90c1f8270c4d7 [0,2,0,0,0,0|1,0,0]=3 6453 B9R0.1 CC[C@@H](C)CNCC(F)F edaae60aea21d56716e3e9bea7b7faae [0,2,0,0,0,0|2,0,0]=4 6454 B9R0.1 CC[C@@H](C)CNC[C@@H](C)O 06548bb51537ad4c28c0633d716d339d [0,2,0,0,0,0|1,0,0]=3 6455 B9R0.1 CC[C@@H](C)CNC[C@H](C)O cab093f359def90f74c49583fd552bc4 [0,2,0,0,0,0|1,0,0]=3 6456 B9R0.1 CC[C@@H](C)COCC(=O)C 3ea96dffd188de143cbb785260b39e0c [0,2,0,0,0,0|0,0,2]=4 6457 B9R0.1 CC[C@@H](C)COCC(=O)N 740f240e3f600ed639946b1e0e9b224f [0,2,0,0,0,0|0,0,2]=4 6458 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,2,0,0,0,0|0,0,1]=3 6459 B9R0.1 CC[C@@H](C)COCC(=S)N 845d22901c19e52b71204759841b42b4 [0,2,0,0,0,0|0,1,1]=4 6460 B9R0.1 CC[C@@H](C)COCC(C)C 8edc2a86fb26cc70e478a98d42c1a1ff [0,2,0,0,0,0|1,0,0]=3 6461 B9R0.1 CC[C@@H](C)COCC(C)F b6a762e4d540b06ad9efde7d2a6bf7a6 [0,2,0,0,0,0|1,0,0]=3 6462 B9R0.1 CC[C@@H](C)COCC(C)S 2da39c6954cbf27a6902b2fe1343fe46 [0,2,0,0,0,0|0,1,0]=3 6463 B9R0.1 CC[C@@H](C)COCC(F)F e8cc2c177cc12cd70ef1a8307e87b82a [0,2,0,0,0,0|1,0,0]=3 6464 B9R0.1 CC[C@@H](C)COCN(C)C fcfa1d5ae0d6618706e9e9cb67ddab22 [0,2,0,0,0,0|2,0,0]=4 6465 B9R0.1 CC[C@@H](C)COCS(=O)O 19b9a9e681b592b4e47910d2bc3144b8 [0,2,0,0,0,0|1,0,0]=3 6466 B9R0.1 CC[C@@H](C)COC[C@@H](C)F caa837cebaf69de97e0b462bc6939db8 [0,2,0,0,0,0|1,0,0]=3 6467 B9R0.1 CC[C@@H](C)COC[C@H](C)F caa40a547c4a9ed9a8c5f2b8efdc9c93 [0,2,0,0,0,0|1,0,0]=3 6468 B9R0.1 CC[C@@H](C)COC[N+](=O)[O-] d5053705678f945de7746ecae1a09b1d [0,2,0,0,0,0|1,0,1]=4 6469 B9R0.1 CC[C@@H](C)NCCC(C)C d11d0748dfe468c717dc13a70caaa389 [0,2,0,0,0,0|2,0,0]=4 6470 B9R0.1 CC[C@@H](C)NCCC(C)O b7f70e273fce08932540a42165eb9d86 [0,2,0,0,0,0|2,0,0]=4 6471 B9R0.1 CC[C@@H](C)OCCC(=O)C 49267d242cdea675a244728a918e9b2e [0,2,0,0,0,0|1,0,1]=4 6472 B9R0.1 CC[C@@H](C)OCCC(C)C 5e526274912eb5b83acbe56b998005ec [0,2,0,0,0,0|1,0,0]=3 6473 B9R0.1 CC[C@@H](C)OCCN(C)C 630dd475e680542a430b360fc4872775 [0,2,0,0,0,0|2,0,0]=4 6474 B9R0.1 CC[C@@H](C)OCCS(=O)C 9b9f925e3813153ad01d285336dc42b0 [0,2,0,0,0,0|2,0,0]=4 6475 B9R0.1 CC[C@@H](C)OCOC(C)C f896873c7817a713d12e595ce9e72462 [0,2,0,0,0,0|2,0,0]=4 6476 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,2,0,0,0,0|1,0,1]=4 6477 B9R0.1 CC[C@@H](O)CNCC(C)C 16fce5eb8df22979ab0b263442fac03b [0,2,0,0,0,0|2,0,0]=4 6478 B9R0.1 CC[C@@H](O)CNCC(C)O 265477c30886e7b2c75115ac34cc90f2 [0,2,0,0,0,0|1,0,0]=3 6479 B9R0.1 CC[C@@H](O)CNCC(F)F 1ab9dc91008b9bf978b5c4e96119dac4 [0,2,0,0,0,0|2,0,0]=4 6480 B9R0.1 CC[C@@H](O)CNC[C@@H](C)O 2a3352cedf35a97fd41377552a19c99b [0,2,0,0,0,0|1,0,0]=3 6481 B9R0.1 CC[C@@H](O)CNC[C@H](C)O 84a2edef332f32db45107038b0e1bc84 [0,2,0,0,0,0|1,0,0]=3 6482 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,2,0,0,0,0|1,0,1]=4 6483 B9R0.1 CC[C@H](C)CNCC(C)C af07901c9a5fbe0daddcc69f0a9bb778 [0,2,0,0,0,0|2,0,0]=4 6484 B9R0.1 CC[C@H](C)CNCC(C)O acb0f2f402bde2189761235f28bd8537 [0,2,0,0,0,0|1,0,0]=3 6485 B9R0.1 CC[C@H](C)CNCC(F)F 66c6332732a31c757239c79c03cb9e07 [0,2,0,0,0,0|2,0,0]=4 6486 B9R0.1 CC[C@H](C)CNC[C@@H](C)O 8c9a2e8bd3820ab9cbf6410eab31b4a5 [0,2,0,0,0,0|1,0,0]=3 6487 B9R0.1 CC[C@H](C)CNC[C@H](C)O 23768e5495769b3c846ea18f18258f86 [0,2,0,0,0,0|1,0,0]=3 6488 B9R0.1 CC[C@H](C)COCC(=O)C 80eb9e48ec554962e19de8a0a5190a68 [0,2,0,0,0,0|0,0,2]=4 6489 B9R0.1 CC[C@H](C)COCC(=O)N 618c87bafaf60a39a5844b8445445aab [0,2,0,0,0,0|0,0,2]=4 6490 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,2,0,0,0,0|0,0,1]=3 6491 B9R0.1 CC[C@H](C)COCC(=S)N 9993ad6712ea9aa5c90bd28da11fa8ea [0,2,0,0,0,0|0,1,1]=4 6492 B9R0.1 CC[C@H](C)COCC(C)C 4fb7c7027dde00d01a52bf325d5048bb [0,2,0,0,0,0|1,0,0]=3 6493 B9R0.1 CC[C@H](C)COCC(C)F c8540b55962fbd2256794f1eece062a4 [0,2,0,0,0,0|1,0,0]=3 6494 B9R0.1 CC[C@H](C)COCC(C)S 5efee84972c33c32ccb8068b17cef755 [0,2,0,0,0,0|0,1,0]=3 6495 B9R0.1 CC[C@H](C)COCC(F)F 0051cb92ab47d3ffb5e82367f56d0ff7 [0,2,0,0,0,0|1,0,0]=3 6496 B9R0.1 CC[C@H](C)COCN(C)C 85b7f846c1aa24c72f9225c6ec18e5be [0,2,0,0,0,0|2,0,0]=4 6497 B9R0.1 CC[C@H](C)COCS(=O)O 39955f728c40bf5dcc7b4871cd9bc9b3 [0,2,0,0,0,0|1,0,0]=3 6498 B9R0.1 CC[C@H](C)COC[C@@H](C)F 673dbd601e483b782d5975f593f63001 [0,2,0,0,0,0|1,0,0]=3 6499 B9R0.1 CC[C@H](C)COC[C@H](C)F 5f5a52595a40284443d856f38249d6a6 [0,2,0,0,0,0|1,0,0]=3 6500 B9R0.1 CC[C@H](C)COC[N+](=O)[O-] 19c8793d4a01be6830c7dfc381098174 [0,2,0,0,0,0|1,0,1]=4 6501 B9R0.1 CC[C@H](C)NCCC(C)C 968c312d0d0d1e42fbc93983e612e83d [0,2,0,0,0,0|2,0,0]=4 6502 B9R0.1 CC[C@H](C)NCCC(C)O 2749dbaaf30a780792b4813830b0935f [0,2,0,0,0,0|2,0,0]=4 6503 B9R0.1 CC[C@H](C)OCCC(=O)C 57f743174dad87e641f434790222523a [0,2,0,0,0,0|1,0,1]=4 6504 B9R0.1 CC[C@H](C)OCCC(C)C 56bb245514a6dc3ef9381d0b1123e92c [0,2,0,0,0,0|1,0,0]=3 6505 B9R0.1 CC[C@H](C)OCCN(C)C 4bf1d26e4a9577e108b054e917169fe6 [0,2,0,0,0,0|2,0,0]=4 6506 B9R0.1 CC[C@H](C)OCCS(=O)C 565808f685a16233d5f19d85e2024055 [0,2,0,0,0,0|2,0,0]=4 6507 B9R0.1 CC[C@H](C)OCOC(C)C 69a07cbc994c3a1e24f215fd3ceea6e2 [0,2,0,0,0,0|2,0,0]=4 6508 B9R0.1 COC(C)CNCC(C)O 5fd1d65b077a8c5633f4869085479588 [0,2,0,0,0,0|2,0,0]=4 6509 B9R0.1 COC(C)CNC[C@@H](C)O 0e5e98320f401faf33be83dc51ca6dbd [0,2,0,0,0,0|2,0,0]=4 6510 B9R0.1 COC(C)CNC[C@H](C)O 936b04fea1fd5f3877817469cef5d4a7 [0,2,0,0,0,0|2,0,0]=4 6511 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,2,0,0,0,0|1,0,1]=4 6512 B9R0.1 COC(C)COCC(C)C ed67b1811a188d801c3377afc054ec5f [0,2,0,0,0,0|2,0,0]=4 6513 B9R0.1 COC(C)COCC(C)F 1f7456218598a536c78a207c62ca5882 [0,2,0,0,0,0|2,0,0]=4 6514 B9R0.1 COC(C)COCC(C)S 74b588b9f5e78fdfd76410ab56d7f9bd [0,2,0,0,0,0|1,1,0]=4 6515 B9R0.1 COC(C)COCC(F)F 3d0ae780a876cb5bec4f9d324d5de03f [0,2,0,0,0,0|2,0,0]=4 6516 B9R0.1 COC(C)COCS(=O)O 5e5ef287229ea40bbf39a36b32c895f6 [0,2,0,0,0,0|2,0,0]=4 6517 B9R0.1 COC(C)COC[C@@H](C)F 5228880d6bb7e785a1f4313d38258aed [0,2,0,0,0,0|2,0,0]=4 6518 B9R0.1 COC(C)COC[C@H](C)F 64b2186e8b49fa2dadb2eadfd01ed496 [0,2,0,0,0,0|2,0,0]=4 6519 B9R0.1 CO[C@@H](C)CNCC(C)O b8336d2c7e0811265104673ca2403b02 [0,2,0,0,0,0|2,0,0]=4 6520 B9R0.1 CO[C@@H](C)CNC[C@@H](C)O c61c420e0083b18ad6b3aa1a8cf646fc [0,2,0,0,0,0|2,0,0]=4 6521 B9R0.1 CO[C@@H](C)CNC[C@H](C)O eb824fd53e0aecaabde27402d7640265 [0,2,0,0,0,0|2,0,0]=4 6522 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,2,0,0,0,0|1,0,1]=4 6523 B9R0.1 CO[C@@H](C)COCC(C)C 4d97cf15e0a5dc41a9e0fc41d5564171 [0,2,0,0,0,0|2,0,0]=4 6524 B9R0.1 CO[C@@H](C)COCC(C)F 863e64ffc2d12948a18ab5f34f22e8bb [0,2,0,0,0,0|2,0,0]=4 6525 B9R0.1 CO[C@@H](C)COCC(C)S c1869ece4fe97ce4a492f123f701cf7e [0,2,0,0,0,0|1,1,0]=4 6526 B9R0.1 CO[C@@H](C)COCC(F)F 307843abbcc83fc1b0d163483f56716f [0,2,0,0,0,0|2,0,0]=4 6527 B9R0.1 CO[C@@H](C)COCS(=O)O 9ca31fa9648066bf445522028cd02f8a [0,2,0,0,0,0|2,0,0]=4 6528 B9R0.1 CO[C@@H](C)COC[C@@H](C)F e0574ce922fb506db1c7e4ab1f40900d [0,2,0,0,0,0|2,0,0]=4 6529 B9R0.1 CO[C@@H](C)COC[C@H](C)F 54cb6ccc0adafb58a4e03c43783fb497 [0,2,0,0,0,0|2,0,0]=4 6530 B9R0.1 CO[C@H](C)CNCC(C)O 01b9d06b608862427e315bcad8c32ab5 [0,2,0,0,0,0|2,0,0]=4 6531 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 6cc95f121665dfaa5bd6aa1377245ac6 [0,2,0,0,0,0|2,0,0]=4 6532 B9R0.1 CO[C@H](C)CNC[C@H](C)O 1bc3d741d908f657eb5a2becb235b602 [0,2,0,0,0,0|2,0,0]=4 6533 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,2,0,0,0,0|1,0,1]=4 6534 B9R0.1 CO[C@H](C)COCC(C)C 442b6bd65f36f3ee522bd26e4654ff96 [0,2,0,0,0,0|2,0,0]=4 6535 B9R0.1 CO[C@H](C)COCC(C)F 934427dcdfbab54089c1a2716054cfd8 [0,2,0,0,0,0|2,0,0]=4 6536 B9R0.1 CO[C@H](C)COCC(C)S 553a7d0767bb9501519fce97f258b25c [0,2,0,0,0,0|1,1,0]=4 6537 B9R0.1 CO[C@H](C)COCC(F)F 7d4cbf244bdfb1286aa28e25cda004ed [0,2,0,0,0,0|2,0,0]=4 6538 B9R0.1 CO[C@H](C)COCS(=O)O 19475c8640a8c02734eb8ca4e49bb7ed [0,2,0,0,0,0|2,0,0]=4 6539 B9R0.1 CO[C@H](C)COC[C@@H](C)F b7a98d5f6299cc1ccb481662fb83f99c [0,2,0,0,0,0|2,0,0]=4 6540 B9R0.1 CO[C@H](C)COC[C@H](C)F c4fd15ba9e496dae093be98d3a6d451a [0,2,0,0,0,0|2,0,0]=4 6541 B9R0.1 C[C@@H](CO)CNC[C@@H](C)O 94e5d000161cd57d789b79426a54d9a9 [0,2,0,0,0,0|2,0,0]=4 6542 B9R0.1 C[C@@H](CO)CNC[C@H](C)O 6f3e572c3cb1772de670e4af4bc384a7 [0,2,0,0,0,0|2,0,0]=4 6543 B9R0.1 C[C@@H](CO)NCCC(F)F 3d5a7f0657858040af0b703299abc737 [0,2,0,0,0,0|2,0,0]=4 6544 B9R0.1 C[C@@H](CO)NCCN(C)C 75cdee73c29a72ec889ee718b1ec4ea3 [0,2,0,0,0,0|2,0,0]=4 6545 B9R0.1 C[C@@H](CO)NCCS(=O)C f4964b3f821d948ef31dcd773e6d1e7b [0,2,0,0,0,0|2,0,0]=4 6546 B9R0.1 C[C@@H](F)COCC(O)CO d4f4979332bd489127666ef5828968c0 [0,2,0,0,0,0|2,0,0]=4 6547 B9R0.1 C[C@@H](F)COC[C@@H](O)CO 219ac69a6c4d53cfa6aedd1e2fd4246c [0,2,0,0,0,0|2,0,0]=4 6548 B9R0.1 C[C@@H](F)COC[C@H](O)CO 89acd7b94325fbb089dc50ff1830cafc [0,2,0,0,0,0|2,0,0]=4 6549 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,2,0,0,0,0|1,0,1]=4 6550 B9R0.1 C[C@@H](O)CCN[C@@H](C)CO a71fb686540e4ec33b5180342c443c5e [0,2,0,0,0,0|1,0,0]=3 6551 B9R0.1 C[C@@H](O)CNCC(Br)CBr 537fda2f8b7ee7491e21dd3f9e6287d1 [0,2,0,0,0,0|2,0,0]=4 6552 B9R0.1 C[C@@H](O)CNCC(F)CO b55d1eee6f3cf57afbe2a779fdb5052d [0,2,0,0,0,0|2,0,0]=4 6553 B9R0.1 C[C@@H](O)CNCC(O)CF 2a733a8052b248f30eaf7e892e96756b [0,2,0,0,0,0|2,0,0]=4 6554 B9R0.1 C[C@@H](O)CNCC(O)CO 9dbd5ff895e0b7f862ce3760046b2335 [0,2,0,0,0,0|2,0,0]=4 6555 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 93bb4c91e97942cc0a364b6b0519567c [0,2,0,0,0,0|2,0,0]=4 6556 B9R0.1 C[C@@H](O)CNC[C@@H](O)CO 1585ae6aeb22fa35838ddbe179790ff6 [0,2,0,0,0,0|2,0,0]=4 6557 B9R0.1 C[C@@H](O)CNC[C@H](F)CO f20d58c92ef9b1035f4f31f6f22e7053 [0,2,0,0,0,0|2,0,0]=4 6558 B9R0.1 C[C@@H](O)CNC[C@H](O)CO d2bbdcda3cc08b467addcf0349bc2eab [0,2,0,0,0,0|2,0,0]=4 6559 B9R0.1 C[C@H](CO)CNC[C@@H](C)O 48769ee9bafd9ea5d8b17fbfef36f7c1 [0,2,0,0,0,0|2,0,0]=4 6560 B9R0.1 C[C@H](CO)CNC[C@H](C)O 577c96bea6c0a93ea8722079a031d745 [0,2,0,0,0,0|2,0,0]=4 6561 B9R0.1 C[C@H](CO)NCCC(F)F ae4873d048422803f997e81d64a4dcdd [0,2,0,0,0,0|2,0,0]=4 6562 B9R0.1 C[C@H](CO)NCCN(C)C d16f000e52758886ce90e6522c427594 [0,2,0,0,0,0|2,0,0]=4 6563 B9R0.1 C[C@H](CO)NCCS(=O)C 0db5deaa7a080d2dd7dd201b4a141f17 [0,2,0,0,0,0|2,0,0]=4 6564 B9R0.1 C[C@H](CO)NCC[C@@H](C)O 7b76000cb241536505e7d7f723270b1c [0,2,0,0,0,0|1,0,0]=3 6565 B9R0.1 C[C@H](CS)OCCN(C)C bc2cf9664042c2d4acd192fce9fe3b3e [0,2,0,0,0,0|1,1,0]=4 6566 B9R0.1 C[C@H](CS)OCCS(=O)C c126240f5843593af255f51f3672cf07 [0,2,0,0,0,0|1,1,0]=4 6567 B9R0.1 C[C@H](F)COCC(O)CO 0c29feb7c5cfde2c39a5355a91abf91e [0,2,0,0,0,0|2,0,0]=4 6568 B9R0.1 C[C@H](F)COC[C@@H](O)CO 71ac3cd1390246a186d922eb0bb850b3 [0,2,0,0,0,0|2,0,0]=4 6569 B9R0.1 C[C@H](F)COC[C@H](O)CO 588d542ef18f443aa058d610b800fb98 [0,2,0,0,0,0|2,0,0]=4 6570 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,2,0,0,0,0|1,0,1]=4 6571 B9R0.1 C[C@H](O)CCN[C@@H](C)CO b8a9d3095d2e4d755b66cfac1759e6f4 [0,2,0,0,0,0|1,0,0]=3 6572 B9R0.1 C[C@H](O)CCN[C@H](C)CO 97a4c9e55265b6ba807d7b3c1251c82f [0,2,0,0,0,0|1,0,0]=3 6573 B9R0.1 C[C@H](O)CNCC(Br)CBr 6b37aa4edad364b3b17fd26c120d140a [0,2,0,0,0,0|2,0,0]=4 6574 B9R0.1 C[C@H](O)CNCC(F)CO 7a9c474859484abd0fb6ac1d81cc650a [0,2,0,0,0,0|2,0,0]=4 6575 B9R0.1 C[C@H](O)CNCC(O)CF 86455aff20881d8d65a57a26d011f58a [0,2,0,0,0,0|2,0,0]=4 6576 B9R0.1 C[C@H](O)CNCC(O)CO e5228eaedfee1610844a5524bcec5ffc [0,2,0,0,0,0|2,0,0]=4 6577 B9R0.1 C[C@H](O)CNC[C@@H](F)CO 76075c940e95160105820c2280e5f94d [0,2,0,0,0,0|2,0,0]=4 6578 B9R0.1 C[C@H](O)CNC[C@@H](O)CO 5dc2b2b9cc1dbcf039b439491b193adf [0,2,0,0,0,0|2,0,0]=4 6579 B9R0.1 C[C@H](O)CNC[C@H](F)CO a4cd3bf5f6c5db2b1686962043aa1c25 [0,2,0,0,0,0|2,0,0]=4 6580 B9R0.1 C[C@H](O)CNC[C@H](O)CO 48e1347117a055c157a3784f0e8d40d6 [0,2,0,0,0,0|2,0,0]=4 6581 B9R0.1 FC(F)COCC(Br)CBr 718077630df4d76c4b03b17cc143fc70 [0,2,0,0,0,0|2,0,0]=4 6582 B9R0.1 FC(F)COCC(Cl)CCl 6c20caeee340fdcc8045576d2d5d4e5e [0,2,0,0,0,0|2,0,0]=4 6583 B9R0.1 FC(F)COCC(S)CS edd556947f9b6d176c474e52a3bdfebb [0,2,0,0,0,0|2,0,0]=4 6584 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,2,0,0,0,0|1,0,1]=4 6585 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,2,0,0,0,0|1,0,1]=4 6586 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,2,0,0,0,0|1,0,1]=4 6587 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,2,0,0,0,0|1,0,1]=4 6588 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,2,0,0,0,0|1,0,1]=4 6589 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,2,0,0,0,0|1,0,1]=4 6590 B9R0.1 O=S(O)COCC(O)CO f199cb63a274dd3500fbaab27c6a66d0 [0,2,0,0,0,0|2,0,0]=4 6591 B9R0.1 O=S(O)COC[C@@H](O)CO c26418599d510bde6813fa33eb165dca [0,2,0,0,0,0|2,0,0]=4 6592 B9R0.1 O=S(O)COC[C@H](O)CO 6f5a4c9cf6b2dc3e46db763efb23bd39 [0,2,0,0,0,0|2,0,0]=4 6593 B9R0.1 OCC(O)COCC(F)F 2710d38326a9e2d7372862190d8d38fc [0,2,0,0,0,0|2,0,0]=4 6594 B9R0.1 OC[C@@H](O)COCC(F)F b8a817068d395f655b949e3b114d0f5b [0,2,0,0,0,0|2,0,0]=4 6595 B9R0.1 OC[C@H](O)COCC(F)F de057313ee8523c0aacf0cb5c99a32f8 [0,2,0,0,0,0|2,0,0]=4 6596 B9R0.20 C#CCOCC(F)(F)CC f40464b836aac2ce3f6f09aace195e14 [0,2,0,0,0,0|1,0,1]=4 6597 B9R0.20 C=CCOCC(F)(F)CC c2e69ccd31c40ba1c039f07585daed73 [0,2,0,0,0,0|1,0,1]=4 6598 B9R0.20 CC(C)(CF)CNCCO 2057cd2f24b89ef8554949c43bcb6388 [0,2,0,0,0,0|2,0,0]=4 6599 B9R0.20 CC(C)(CF)COCCF ac99322c7169f0f8f98e089c5afcb101 [0,2,0,0,0,0|2,0,0]=4 6600 B9R0.20 CC(C)(CF)COCCS 3f8d92c4f21513cb71a5e4f2a3a429ae [0,2,0,0,0,0|1,1,0]=4 6601 B9R0.20 CC(C)(CO)CNCCO 8af7678b99c467c9d707cdbd63212a50 [0,2,0,0,0,0|2,0,0]=4 6602 B9R0.20 CC(C)(CO)NCCCF 92ae650aa96aae466bfbeebefc8e26de [0,2,0,0,0,0|2,0,0]=4 6603 B9R0.20 CC(C)(CO)NCCCO 1bf582eca1905df6fc147cc648fccba5 [0,2,0,0,0,0|2,0,0]=4 6604 B9R0.20 CC(C)(CO)NCCCS 25db225608bf5241ab421e1f66788eff [0,2,0,0,0,0|2,0,0]=4 6605 B9R0.20 CCC(C)(C)CNCCF 3e9626418d45171eb6e1414d220d72eb [0,2,0,0,0,0|2,0,0]=4 6606 B9R0.20 CCC(C)(C)CNCCO ddd524823d1495b32e59c3405fd4a776 [0,2,0,0,0,0|1,0,0]=3 6607 B9R0.20 CCC(C)(C)CNCCS e4ca1589c3b1633532727961ada3521d [0,2,0,0,0,0|1,1,0]=4 6608 B9R0.20 CCC(C)(C)NCCCO 36a57edb08374ebd727fa13fdaf3b5b6 [0,2,0,0,0,0|2,0,0]=4 6609 B9R0.20 CCC(C)(O)CNCCF 58723e57f59166ad1d26b8ae487295e5 [0,2,0,0,0,0|2,0,0]=4 6610 B9R0.20 CCC(C)(O)CNCCO 4e3bb0a1d1c05b8e02bbe9e33831c0d6 [0,2,0,0,0,0|1,0,0]=3 6611 B9R0.20 CCC(C)(O)CNCCS 288a2ea90b0c20d8a145e286bd424e85 [0,2,0,0,0,0|1,1,0]=4 6612 B9R0.20 CCC(F)(F)COCC#N 8cd36f486aad5e7c8da498678bdaa182 [0,2,0,0,0,0|1,0,1]=4 6613 B9R0.20 CCC(F)(F)COCC=O fa8eb0cc2406e09119cc927ab72aab28 [0,2,0,0,0,0|0,0,2]=4 6614 B9R0.20 CCC(F)(F)COCCF 7c61f6a8cddf776b9d14b8f56299d085 [0,2,0,0,0,0|1,0,0]=3 6615 B9R0.20 CCC(F)(F)COCCS 14cf48231fb3b574bceabf3f6fc10273 [0,2,0,0,0,0|0,1,0]=3 6616 B9R0.20 CCC(F)(F)COCOC 6bba15619c8f67811f847d218c61ed6e [0,2,0,0,0,0|2,0,0]=4 6617 B9R0.20 CCC(F)(F)COCSC fbc418e013dbe8e16da02df6286aa504 [0,2,0,0,0,0|2,0,0]=4 6618 B9R0.20 CCCCNC(C)(C)CC 71d7807d29f20355911b41202c79e731 [0,2,0,0,0,0|2,0,0]=4 6619 B9R0.20 CCCCNC(C)(C)CF 97dc42a3b765493e62d9b743f753ae6e [0,2,0,0,0,0|2,0,0]=4 6620 B9R0.20 CCCCNC(C)(C)CO ed63e31056a1f38b3648b3244c8a258e [0,2,0,0,0,0|1,0,0]=3 6621 B9R0.20 CCCNCC(C)(C)CC 37656f4713c8a2f737bf1f661cc3ddba [0,2,0,0,0,0|2,0,0]=4 6622 B9R0.20 CCCNCC(C)(C)CO 44959d05a980d2e9a360e1f3d03bc2b2 [0,2,0,0,0,0|2,0,0]=4 6623 B9R0.20 CCCNCC(C)(O)CC 4d55f8eff03a0b17780b57f5315de9e5 [0,2,0,0,0,0|2,0,0]=4 6624 B9R0.20 CCCNCC(F)(F)CO 259d5b55f687c64da91cfd0ccad21000 [0,2,0,0,0,0|2,0,0]=4 6625 B9R0.20 CCCOCC(C)(C)CF fcd4af2d5cc72dfe15384446114a2bd4 [0,2,0,0,0,0|2,0,0]=4 6626 B9R0.20 CCCOCC(C)(C)OC b0132f24aae1823cfdbe56654d96e0c8 [0,2,0,0,0,0|2,0,0]=4 6627 B9R0.20 CCCOCC(F)(F)CC 2e41e1e1c249dae44a29ba8343752a93 [0,2,0,0,0,0|1,0,0]=3 6628 B9R0.20 CCNCCC(F)(F)CO d7d8d5c4f9c4c5588be434769cc0fcff [0,2,0,0,0,0|2,0,0]=4 6629 B9R0.20 CCOCNC(C)(C)CO a647d1c709613b815a7b78513a7c0cdd [0,2,0,0,0,0|2,0,0]=4 6630 B9R0.20 COC(C)(C)CNCCO e8631de694c94d69104b39ac421c2d69 [0,2,0,0,0,0|2,0,0]=4 6631 B9R0.20 COC(C)(C)COCCF acb94c414f566e0a1bc08a4f4066ba50 [0,2,0,0,0,0|2,0,0]=4 6632 B9R0.20 COC(C)(C)COCCS 0321489e240a41f4f7c6acd0bb8fda81 [0,2,0,0,0,0|1,1,0]=4 6633 B9R0.20 COCCNC(C)(C)CO 07f1c0fcedfdba61ca155a3d7bf61169 [0,2,0,0,0,0|2,0,0]=4 6634 B9R0.20 CSCCNC(C)(C)CO 31153cd6f2e513ff6c59dbc5a9727e1f [0,2,0,0,0,0|2,0,0]=4 6635 B9R0.20 OCCNCC(F)(F)CO d89ca1967056a04266b91bfcaf2be447 [0,2,0,0,0,0|2,0,0]=4 6636 B9R0.24 C#CC(C)OCC(C)CC a2ec2055b234c82b480ae74446d1f9a3 [0,2,0,0,0,0|1,0,1]=4 6637 B9R0.24 C#CC(C)OC[C@@H](C)CC 03da7f5b4d1e883dd59cae905cafac06 [0,2,0,0,0,0|1,0,1]=4 6638 B9R0.24 C#CC(C)OC[C@H](C)CC f751e5d4686fe14155f5755141879d3b [0,2,0,0,0,0|1,0,1]=4 6639 B9R0.24 C#C[C@@H](C)OCC(C)CC 4d0cda130367d85597242572366c69b0 [0,2,0,0,0,0|1,0,1]=4 6640 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CC 79e10fea8c5f11d05815c258ca7bf75f [0,2,0,0,0,0|1,0,1]=4 6641 B9R0.24 C#C[C@@H](C)OC[C@H](C)CC 61fa593e930ce6454256e7b84810bf2b [0,2,0,0,0,0|1,0,1]=4 6642 B9R0.24 C#C[C@H](C)OCC(C)CC 7b1ee507b5cdb55e9e9fd35b64394a02 [0,2,0,0,0,0|1,0,1]=4 6643 B9R0.24 C#C[C@H](C)OC[C@@H](C)CC 59d8d919b2a72e36766fe93a7c21f32c [0,2,0,0,0,0|1,0,1]=4 6644 B9R0.24 C#C[C@H](C)OC[C@H](C)CC d46596191614c7e388e3e335f032b4ed [0,2,0,0,0,0|1,0,1]=4 6645 B9R0.24 C=C(CC)CNC(C)CO f040e911f9d5ab0583a9aed42be68ed0 [0,2,0,0,0,0|1,0,1]=4 6646 B9R0.24 C=C(CC)CN[C@@H](C)CO 665b25db5f8a8e08671dfa1b0879f5aa [0,2,0,0,0,0|1,0,1]=4 6647 B9R0.24 C=C(CC)CN[C@H](C)CO f3c523ade842fd9c8553b2d843d37f96 [0,2,0,0,0,0|1,0,1]=4 6648 B9R0.24 C=C(CC)COC(C)CC c924422973408063b333741d53956feb [0,2,0,0,0,0|1,0,1]=4 6649 B9R0.24 C=C(CC)COC(C)CF d9a86640186a3cc120c77bf1ce86d6bc [0,2,0,0,0,0|1,0,1]=4 6650 B9R0.24 C=C(CC)COC(C)CS 7d8ce4d966c73d10af50dcb6ed90e45c [0,2,0,0,0,0|0,1,1]=4 6651 B9R0.24 C=C(CC)CO[C@@H](C)CC 5ebe813242e8c3d384ebdcae6d991e44 [0,2,0,0,0,0|1,0,1]=4 6652 B9R0.24 C=C(CC)CO[C@H](C)CC 46ba7758c94cfcc1174599b5da72113f [0,2,0,0,0,0|1,0,1]=4 6653 B9R0.24 C=C(CC)CO[C@H](C)CS 46f148e03df055be6f619ebceae71ebc [0,2,0,0,0,0|0,1,1]=4 6654 B9R0.24 C=CC(C)OCC(C)CC c0add65e24b120c78bb757c80b1b366f [0,2,0,0,0,0|1,0,1]=4 6655 B9R0.24 C=CC(C)OC[C@@H](C)CC 3dc28a974ae3b1da4f51caa8bfd19440 [0,2,0,0,0,0|1,0,1]=4 6656 B9R0.24 C=CC(C)OC[C@H](C)CC 18159e56f1b5e572330dc73ac44537ff [0,2,0,0,0,0|1,0,1]=4 6657 B9R0.24 C=C[C@H](C)OCC(C)CC d4fdd930238282ead953f9eb3cededa9 [0,2,0,0,0,0|1,0,1]=4 6658 B9R0.24 C=C[C@H](C)OC[C@@H](C)CC 2b01f611d24ae49c477ec5e85877646d [0,2,0,0,0,0|1,0,1]=4 6659 B9R0.24 C=C[C@H](C)OC[C@H](C)CC 327108a7f2c061e40667dd59884d1895 [0,2,0,0,0,0|1,0,1]=4 6660 B9R0.24 CC(CF)OCC(O)CO 3dd4c478c5688bc2820afca2b6ee41ff [0,2,0,0,0,0|2,0,0]=4 6661 B9R0.24 CC(CF)OC[C@@H](O)CO 05f42a47e9c58ba958ef630ab0598add [0,2,0,0,0,0|2,0,0]=4 6662 B9R0.24 CC(CF)OC[C@H](O)CO dde366079151d761e827941526e24cd1 [0,2,0,0,0,0|2,0,0]=4 6663 B9R0.24 CC(CO)CNC(C)CO 85f9a3285693d8362fac465b9d31de87 [0,2,0,0,0,0|2,0,0]=4 6664 B9R0.24 CC(CO)CN[C@@H](C)CO 836de41651d34c5df7f9412f3b73b6a5 [0,2,0,0,0,0|2,0,0]=4 6665 B9R0.24 CC(CO)CN[C@H](C)CO a899db63bbab9d84b254b76f6b771776 [0,2,0,0,0,0|2,0,0]=4 6666 B9R0.24 CC(CO)NCC(Br)CBr 59082b436767d8e3a01eb9e51612e8c0 [0,2,0,0,0,0|2,0,0]=4 6667 B9R0.24 CC(CO)NCC(F)CO 871eb2daa603583b1bedc4c5f5397d28 [0,2,0,0,0,0|2,0,0]=4 6668 B9R0.24 CC(CO)NCC(O)CF 82502f90c818af428df38d2464da02fc [0,2,0,0,0,0|2,0,0]=4 6669 B9R0.24 CC(CO)NCC(O)CO 81c27564779b9b0b2c2ce0b8863d9dce [0,2,0,0,0,0|2,0,0]=4 6670 B9R0.24 CC(CO)NC[C@@H](C)CO 207bb9c638a651bbf25c5bbdd567ce37 [0,2,0,0,0,0|2,0,0]=4 6671 B9R0.24 CC(CO)NC[C@@H](F)CO fb5dffc78bacbc3831c37139bf8783cb [0,2,0,0,0,0|2,0,0]=4 6672 B9R0.24 CC(CO)NC[C@@H](O)CO 8ad239e50bfac789460a0f94b76c2712 [0,2,0,0,0,0|2,0,0]=4 6673 B9R0.24 CC(CO)NC[C@H](C)CO a735a7f6f5651e5621b4bb0c5447cf33 [0,2,0,0,0,0|2,0,0]=4 6674 B9R0.24 CC(CO)NC[C@H](F)CO 23a0131ea3a76169015263d592277345 [0,2,0,0,0,0|2,0,0]=4 6675 B9R0.24 CC(CO)NC[C@H](O)CO ec2ec5c5e4aab6b8bd2c0461d1e4adfd [0,2,0,0,0,0|2,0,0]=4 6676 B9R0.24 CC(CS)OCC(O)CO 7c7fd9df881d7faaa1c8c022c8d911a2 [0,2,0,0,0,0|1,1,0]=4 6677 B9R0.24 CC(CS)OC[C@@H](O)CO 6ec0a9e61cee917bf8e646ac8e3d1750 [0,2,0,0,0,0|1,1,0]=4 6678 B9R0.24 CC(CS)OC[C@H](O)CO ac65ffae53dfe1e3cff63122b39d64b2 [0,2,0,0,0,0|1,1,0]=4 6679 B9R0.24 CCC(=O)CNC(C)CO 5e60ba7c010ccf2781cfa187e60d9931 [0,2,0,0,0,0|1,0,1]=4 6680 B9R0.24 CCC(=O)CN[C@@H](C)CO 74e011e2f77654864ab9844d772548df [0,2,0,0,0,0|1,0,1]=4 6681 B9R0.24 CCC(=O)CN[C@H](C)CO f786f4989a36138fb02fa088b8f656d9 [0,2,0,0,0,0|1,0,1]=4 6682 B9R0.24 CCC(=O)COC(C)CC 29d5bfcc3cb37f7ca0dad75c651a7aa4 [0,2,0,0,0,0|1,0,1]=4 6683 B9R0.24 CCC(=O)COC(C)CF 81a45643a713673f9a8cee2ff98f6a75 [0,2,0,0,0,0|1,0,1]=4 6684 B9R0.24 CCC(=O)COC(C)CS 984e285ab5f4a0ad9d6d8a292df0e276 [0,2,0,0,0,0|0,1,1]=4 6685 B9R0.24 CCC(=O)CO[C@@H](C)CC 83299bde6aa7b405212942272cb01c0d [0,2,0,0,0,0|1,0,1]=4 6686 B9R0.24 CCC(=O)CO[C@H](C)CC 22a053d890b84a836a154b9ddc55610a [0,2,0,0,0,0|1,0,1]=4 6687 B9R0.24 CCC(=O)CO[C@H](C)CS e24ec6525f0cb1fa141815260a562dff [0,2,0,0,0,0|0,1,1]=4 6688 B9R0.24 CCC(C)CNC(=O)CO c83ed1127f884f4213e48db54a8973b6 [0,2,0,0,0,0|1,0,1]=4 6689 B9R0.24 CCC(C)CNC(C)CC ce9ed94223db3f0fd0dab78fa37b8bb0 [0,2,0,0,0,0|2,0,0]=4 6690 B9R0.24 CCC(C)CNC(C)CO 60811aae074066dc27950d91e3b980a2 [0,2,0,0,0,0|1,0,0]=3 6691 B9R0.24 CCC(C)CN[C@@H](C)CC 1edccbf12b9616db6e90d26a5fb53cd4 [0,2,0,0,0,0|2,0,0]=4 6692 B9R0.24 CCC(C)CN[C@@H](C)CO a3afb1b145d5d0de841398acac18819b [0,2,0,0,0,0|1,0,0]=3 6693 B9R0.24 CCC(C)CN[C@H](C)CC a4292bbbff677bd84439c551bed96c8e [0,2,0,0,0,0|2,0,0]=4 6694 B9R0.24 CCC(C)CN[C@H](C)CO b14c967e3cf32c367184141dcf00f9fb [0,2,0,0,0,0|1,0,0]=3 6695 B9R0.24 CCC(C)COC(C)C#N 6799857b3b8db7a87a7b0093328cd54c [0,2,0,0,0,0|1,0,1]=4 6696 B9R0.24 CCC(C)COC(C)C=O 5c5a73b9937517abbe965da0b0e38e6c [0,2,0,0,0,0|0,0,2]=4 6697 B9R0.24 CCC(C)COC(C)CC d18d328bc30bed33830e4af3e5c505ad [0,2,0,0,0,0|1,0,0]=3 6698 B9R0.24 CCC(C)COC(C)CF fed9e0001bad89ee153799edcd7f1f4e [0,2,0,0,0,0|1,0,0]=3 6699 B9R0.24 CCC(C)COC(C)CS e39ffcdf9e4b6d268464faaf36c64c3b [0,2,0,0,0,0|0,1,0]=3 6700 B9R0.24 CCC(C)CO[C@@H](C)CC 9c069ff9e82f1c77bf76bd4eb0073a3b [0,2,0,0,0,0|1,0,0]=3 6701 B9R0.24 CCC(C)CO[C@H](C)C=O b107a332f74d8f7084cf421a3bcce3bb [0,2,0,0,0,0|0,0,2]=4 6702 B9R0.24 CCC(C)CO[C@H](C)CC a240270bdf881e516a23068b63609ead [0,2,0,0,0,0|1,0,0]=3 6703 B9R0.24 CCC(C)CO[C@H](C)CS 0e7e53691e3c487bac5961cfe79de6a4 [0,2,0,0,0,0|0,1,0]=3 6704 B9R0.24 CCC(C)NCC(C)CO 959364fbfd5418be4097b0ea80084b81 [0,2,0,0,0,0|2,0,0]=4 6705 B9R0.24 CCC(C)NCC(F)CO 003eed4bd41306fdad925ee103b64adc [0,2,0,0,0,0|2,0,0]=4 6706 B9R0.24 CCC(C)NCC(O)CO 1def5b3c6f201504b5f100e78edef563 [0,2,0,0,0,0|2,0,0]=4 6707 B9R0.24 CCC(C)NC[C@@H](C)CC 6b21dbf730341174b0b42ad33726d43d [0,2,0,0,0,0|2,0,0]=4 6708 B9R0.24 CCC(C)NC[C@@H](C)CO 2ac3e79e4c950b5cb105f3ad06257ea2 [0,2,0,0,0,0|2,0,0]=4 6709 B9R0.24 CCC(C)NC[C@@H](F)CO 56e9013d83cafc2e224200ab1c52a119 [0,2,0,0,0,0|2,0,0]=4 6710 B9R0.24 CCC(C)NC[C@@H](O)CO 86898e6003e103b2d3bdfdd737dba4fc [0,2,0,0,0,0|2,0,0]=4 6711 B9R0.24 CCC(C)NC[C@H](C)CC a796c8ae62a966e0c4ea1d08ab8b775c [0,2,0,0,0,0|2,0,0]=4 6712 B9R0.24 CCC(C)NC[C@H](C)CO 528ff2953b93bdd29968224fd19499d9 [0,2,0,0,0,0|2,0,0]=4 6713 B9R0.24 CCC(C)NC[C@H](F)CO a949a5d6cfd314dd8d033b01bf7fe4d0 [0,2,0,0,0,0|2,0,0]=4 6714 B9R0.24 CCC(C)NC[C@H](O)CC e8641f1a2c1383fa85092a9b9417de65 [0,2,0,0,0,0|2,0,0]=4 6715 B9R0.24 CCC(C)NC[C@H](O)CO a19d325e334ea089cb7c8e6edd38b607 [0,2,0,0,0,0|2,0,0]=4 6716 B9R0.24 CCC(C)OCC(Br)CBr 76eee51afd5bd0bd90ca5c5048e39810 [0,2,0,0,0,0|2,0,0]=4 6717 B9R0.24 CCC(C)OCC(C)OC 55845eefb5c30d2fe9f4c69cf6821c58 [0,2,0,0,0,0|2,0,0]=4 6718 B9R0.24 CCC(C)OCC(Cl)CCl c8fd2df9661d91406a9629cd7c2a7c75 [0,2,0,0,0,0|2,0,0]=4 6719 B9R0.24 CCC(C)OCC(O)CO 31c451bb8ae3e0525bd60fdae3c6e861 [0,2,0,0,0,0|2,0,0]=4 6720 B9R0.24 CCC(C)OCC(S)CS f34f33971e83ef585cb53a02e4b9eb20 [0,2,0,0,0,0|2,0,0]=4 6721 B9R0.24 CCC(C)OC[C@@H](C)CC 45c92f6250dbd8c4f8407cc37202870a [0,2,0,0,0,0|1,0,0]=3 6722 B9R0.24 CCC(C)OC[C@@H](C)OC 43633c9129aab3ee04d569f20ecdda3d [0,2,0,0,0,0|2,0,0]=4 6723 B9R0.24 CCC(C)OC[C@@H](O)CO 85847e5e6dc8536622094eeced903a10 [0,2,0,0,0,0|2,0,0]=4 6724 B9R0.24 CCC(C)OC[C@H](C)CC 111ec7b818d6044b70ccefe8fe1fec3a [0,2,0,0,0,0|1,0,0]=3 6725 B9R0.24 CCC(C)OC[C@H](C)OC ac0d5cbc19428644b7bb99dc79ea7274 [0,2,0,0,0,0|2,0,0]=4 6726 B9R0.24 CCC(C)OC[C@H](O)CO 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1656b60b6b27a6705f9c2c4bf81767bc [0,2,0,0,0,0|1,0,1]=4 6771 B9R0.24 CC[C@H](C)COC(C)C=O 1f3483513eefdafb9d5d2417472574e7 [0,2,0,0,0,0|0,0,2]=4 6772 B9R0.24 CC[C@H](C)COC(C)CF f581b044bbed3ed7b1570fb9e8091415 [0,2,0,0,0,0|1,0,0]=3 6773 B9R0.24 CC[C@H](C)COC(C)CS 3281547a8c821ae8a1bf41a4e5ee4fe8 [0,2,0,0,0,0|0,1,0]=3 6774 B9R0.24 CC[C@H](C)CO[C@@H](C)CC 34e669db8534d801d9cb404ba91b9c18 [0,2,0,0,0,0|1,0,0]=3 6775 B9R0.24 CC[C@H](C)CO[C@H](C)C=O 9f77b7292d3150efa78f5831c5171993 [0,2,0,0,0,0|0,0,2]=4 6776 B9R0.24 CC[C@H](C)CO[C@H](C)CC 432fe060d8c2f343bfec9f5cef31736b [0,2,0,0,0,0|1,0,0]=3 6777 B9R0.24 CC[C@H](C)CO[C@H](C)CS abeca1ac1d6f696939f26117db808111 [0,2,0,0,0,0|0,1,0]=3 6778 B9R0.24 CC[C@H](C)NCC(C)CO 2d65a1bdf019a8136dad9b89ccf7884e [0,2,0,0,0,0|2,0,0]=4 6779 B9R0.24 CC[C@H](C)NCC(O)CO e618846998fa626421c29247d3463b21 [0,2,0,0,0,0|2,0,0]=4 6780 B9R0.24 CC[C@H](C)NC[C@@H](C)CO c0042912012cc3ae5e7e4dd3c8681db9 [0,2,0,0,0,0|2,0,0]=4 6781 B9R0.24 CC[C@H](C)NC[C@@H](O)CO 91c29dcacc0f79cc4ea7b62d2bb24524 [0,2,0,0,0,0|2,0,0]=4 6782 B9R0.24 CC[C@H](C)NC[C@H](C)CO 24d92355383c9a447977da59c57d60fc [0,2,0,0,0,0|2,0,0]=4 6783 B9R0.24 CC[C@H](C)NC[C@H](O)CO 108d488633c04314ffd7c2daf6c1e301 [0,2,0,0,0,0|2,0,0]=4 6784 B9R0.24 CC[C@H](C)OCC(C)OC 8b007a5ffba31eb0414267c9d1fb1089 [0,2,0,0,0,0|2,0,0]=4 6785 B9R0.24 CC[C@H](C)OCC(O)CO d3f8c511ce80b5df149715a02efb2f74 [0,2,0,0,0,0|2,0,0]=4 6786 B9R0.24 CC[C@H](C)OC[C@@H](C)OC 74ddae12fdca8c59c4bc83df99dc0e69 [0,2,0,0,0,0|2,0,0]=4 6787 B9R0.24 CC[C@H](C)OC[C@@H](O)CO 3c2f068a7cebc41249fcd05efa7a4a5d [0,2,0,0,0,0|2,0,0]=4 6788 B9R0.24 CC[C@H](C)OC[C@H](C)OC abd7f4f9f60edbdce308cc07f1d2afb8 [0,2,0,0,0,0|2,0,0]=4 6789 B9R0.24 CC[C@H](C)OC[C@H](O)CO 8f0b259092d901c38dc080500d5cf382 [0,2,0,0,0,0|2,0,0]=4 6790 B9R0.24 COC(C)CNC(C)CO ce886fdc4dcff85b55282194fc4d5ccc [0,2,0,0,0,0|2,0,0]=4 6791 B9R0.24 COC(C)CN[C@@H](C)CO a36c8bda6972d04cc76bc8e2b82c314c [0,2,0,0,0,0|2,0,0]=4 6792 B9R0.24 COC(C)CN[C@H](C)CO 4eb9af87e06d0bb157170e4da5b142fc [0,2,0,0,0,0|2,0,0]=4 6793 B9R0.24 COC(C)COC(C)CF a11d4e7bd72557e1da801fd1e8d83232 [0,2,0,0,0,0|2,0,0]=4 6794 B9R0.24 COC(C)COC(C)CS 14269f54ad4403a1d2f3192fcc1fd194 [0,2,0,0,0,0|1,1,0]=4 6795 B9R0.24 COC(C)CO[C@H](C)CS 9c89e5c4dea205bbf662afe7a7a877d1 [0,2,0,0,0,0|1,1,0]=4 6796 B9R0.24 CO[C@@H](C)CNC(C)CO 1ab4eede9025a184c7d7cbcd52c3d2e0 [0,2,0,0,0,0|2,0,0]=4 6797 B9R0.24 CO[C@@H](C)CN[C@@H](C)CO 7b0403a35c1d52f893158b6dd22d7c81 [0,2,0,0,0,0|2,0,0]=4 6798 B9R0.24 CO[C@@H](C)CN[C@H](C)CO 3c669fa3e1f8c41d919e9938efd7f9b9 [0,2,0,0,0,0|2,0,0]=4 6799 B9R0.24 CO[C@@H](C)COC(C)CF 569b9c5d6fd6adee3c5ae5934553ed83 [0,2,0,0,0,0|2,0,0]=4 6800 B9R0.24 CO[C@@H](C)COC(C)CS dfde7e5f30ec5aca596060a3c780fee7 [0,2,0,0,0,0|1,1,0]=4 6801 B9R0.24 CO[C@@H](C)CO[C@H](C)CS 4f2a5608f13502117678d7a1841e0ce6 [0,2,0,0,0,0|1,1,0]=4 6802 B9R0.24 CO[C@H](C)CNC(C)CO 9b260b51deed2a70c61b861de5b3e897 [0,2,0,0,0,0|2,0,0]=4 6803 B9R0.24 CO[C@H](C)CN[C@@H](C)CO e72b8c1759848fa72dac06753a8bfff3 [0,2,0,0,0,0|2,0,0]=4 6804 B9R0.24 CO[C@H](C)CN[C@H](C)CO ce22fc6c48cea5ee2550cef2ed0fc07b [0,2,0,0,0,0|2,0,0]=4 6805 B9R0.24 CO[C@H](C)COC(C)CF 4a63ae5b0d6975cc018eea7d49a24f8e [0,2,0,0,0,0|2,0,0]=4 6806 B9R0.24 CO[C@H](C)COC(C)CS 2860178281a48ed26932aad56c4807d9 [0,2,0,0,0,0|1,1,0]=4 6807 B9R0.24 CO[C@H](C)CO[C@H](C)CS 3a7e464ffb335da6ede826d9b3338457 [0,2,0,0,0,0|1,1,0]=4 6808 B9R0.24 C[C@@H](CO)CN[C@@H](C)CO d451f1f101b8c4146d862dd2b68019d3 [0,2,0,0,0,0|2,0,0]=4 6809 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 5e7e10ec34f4f0be766900bc149fb4ec [0,2,0,0,0,0|2,0,0]=4 6810 B9R0.24 C[C@@H](CO)NCC(Br)CBr 018566fc1fcf9b6870cd4e4591ccfdfe [0,2,0,0,0,0|2,0,0]=4 6811 B9R0.24 C[C@@H](CO)NCC(F)CO 95baff8bfebd10b2fadd9548503641aa [0,2,0,0,0,0|2,0,0]=4 6812 B9R0.24 C[C@@H](CO)NCC(O)CF d4b78e98c020c8309ccd5fa0a76af6a4 [0,2,0,0,0,0|2,0,0]=4 6813 B9R0.24 C[C@@H](CO)NCC(O)CO 99457399e39537a026df9356ad5f793a [0,2,0,0,0,0|2,0,0]=4 6814 B9R0.24 C[C@@H](CO)NC[C@@H](F)CO f562a88269b31fd4c0f108dd4c6521d1 [0,2,0,0,0,0|2,0,0]=4 6815 B9R0.24 C[C@@H](CO)NC[C@@H](O)CO 1eece8fcebc974711aa5dcb7499ee776 [0,2,0,0,0,0|2,0,0]=4 6816 B9R0.24 C[C@@H](CO)NC[C@H](F)CO a86315186f695daee81a7479cbf1fd08 [0,2,0,0,0,0|2,0,0]=4 6817 B9R0.24 C[C@@H](CO)NC[C@H](O)CO b1a6bff7ea089c3afce65c7d02b8080e [0,2,0,0,0,0|2,0,0]=4 6818 B9R0.24 C[C@H](CO)CN[C@@H](C)CO 62f352497fd54e534d84fef90c0f1038 [0,2,0,0,0,0|2,0,0]=4 6819 B9R0.24 C[C@H](CO)CN[C@H](C)CO 78204bdf5599d37068c124be0cd2abe4 [0,2,0,0,0,0|2,0,0]=4 6820 B9R0.24 C[C@H](CO)NCC(Br)CBr 3bd9208d44321f6f01c4449f65c2706a [0,2,0,0,0,0|2,0,0]=4 6821 B9R0.24 C[C@H](CO)NCC(F)CO 16729467127e06c9c5d0eea72bec5816 [0,2,0,0,0,0|2,0,0]=4 6822 B9R0.24 C[C@H](CO)NCC(O)CF 24264b2783685131243e104de529d165 [0,2,0,0,0,0|2,0,0]=4 6823 B9R0.24 C[C@H](CO)NCC(O)CO 77e8108561d80139d79e6c13f37ae953 [0,2,0,0,0,0|2,0,0]=4 6824 B9R0.24 C[C@H](CO)NC[C@@H](F)CO f99770558cb156ca232c3b1afee660b1 [0,2,0,0,0,0|2,0,0]=4 6825 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 9d35df8ea113178689aedc9443f13306 [0,2,0,0,0,0|2,0,0]=4 6826 B9R0.24 C[C@H](CO)NC[C@H](F)CO 5c3b4f8db75317d3f04cd55a35b6317d [0,2,0,0,0,0|2,0,0]=4 6827 B9R0.24 C[C@H](CO)NC[C@H](O)CO e805e1c183a7fcbd49dec9c49b31626c [0,2,0,0,0,0|2,0,0]=4 6828 B9R0.24 C[C@H](CS)OCC(O)CO a08e9cfc06ed9fc384f6cba86133d525 [0,2,0,0,0,0|1,1,0]=4 6829 B9R0.24 C[C@H](CS)OC[C@@H](O)CO 567551fddc429e78a3bcb9580daecc1a [0,2,0,0,0,0|1,1,0]=4 6830 B9R0.24 C[C@H](CS)OC[C@H](O)CO c6d1befaa096816fa65e770b870e7675 [0,2,0,0,0,0|1,1,0]=4 6831 B9R0.47 C#CCOCC(C)C(C)C 497b64c48900dffac53792c96cb74fe4 [0,2,0,0,0,0|1,0,1]=4 6832 B9R0.47 C=CCOCC(C)C(C)C f4d22548036e3b6d61a129c9e001dfda [0,2,0,0,0,0|1,0,1]=4 6833 B9R0.47 CC(=O)C(C)COCCF d9199bd35eb3a0d86d7196c7edaf28a6 [0,2,0,0,0,0|1,0,1]=4 6834 B9R0.47 CC(=O)C(C)COCCS b5792902c335fbc91a99c92c76f4a3db [0,2,0,0,0,0|0,1,1]=4 6835 B9R0.47 CC(C)C(=O)CNCCO 77f1ca01ccc1a4f71498efae73b56eab [0,2,0,0,0,0|1,0,1]=4 6836 B9R0.47 CC(C)C(=O)COCCF 4f1bc9b8b539d5dae28f6e74704c52f8 [0,2,0,0,0,0|1,0,1]=4 6837 B9R0.47 CC(C)C(=O)COCCS 727a9cc3d8a2ba13aba168e13d3ab5e9 [0,2,0,0,0,0|0,1,1]=4 6838 B9R0.47 CC(C)C(C)CNCCBr d94e5c22c0633774f38032114f4f9116 [0,2,0,0,0,0|2,0,0]=4 6839 B9R0.47 CC(C)C(C)CNCCF 66a2913f9c4831495257344c6200758e [0,2,0,0,0,0|2,0,0]=4 6840 B9R0.47 CC(C)C(C)CNCCI 8e41fdec9b9a855617fcf23a011b1dbd [0,2,0,0,0,0|2,0,0]=4 6841 B9R0.47 CC(C)C(C)CNCCO 3832daba89169ed17529320f6647fd97 [0,2,0,0,0,0|1,0,0]=3 6842 B9R0.47 CC(C)C(C)CNCCS ae88a67f8f8b3404274c00962d4be374 [0,2,0,0,0,0|1,1,0]=4 6843 B9R0.47 CC(C)C(C)COCC#N 6c61ba233da1a797fe3030fcaf38937a [0,2,0,0,0,0|1,0,1]=4 6844 B9R0.47 CC(C)C(C)COCC=O e07e530f2feef9c6c8b549789bb7f200 [0,2,0,0,0,0|0,0,2]=4 6845 B9R0.47 CC(C)C(C)COCCF bf5c416f152dd62c562cdc9e36b8476c [0,2,0,0,0,0|1,0,0]=3 6846 B9R0.47 CC(C)C(C)COCCS f1cd7936200ff78397888eff82237bd1 [0,2,0,0,0,0|0,1,0]=3 6847 B9R0.47 CC(C)C(C)NCCCO 9c318476afb43f1ccee4886cfbbd5d6a [0,2,0,0,0,0|2,0,0]=4 6848 B9R0.47 CC(C)C(C)OCCCF 57592be54e57a93de1c1b4cfd79561a6 [0,2,0,0,0,0|2,0,0]=4 6849 B9R0.47 CC(C)C(C)OCCCS cb9c89f100a319aecb90915997b1c429 [0,2,0,0,0,0|2,0,0]=4 6850 B9R0.47 CC(C)C(O)CNCCF 4c6b2b176384af181f3d43c1d3cfcfd8 [0,2,0,0,0,0|2,0,0]=4 6851 B9R0.47 CC(C)C(O)CNCCO bddd3f8edfc4836434ed087c8f9ef90d [0,2,0,0,0,0|1,0,0]=3 6852 B9R0.47 CC(C)C(O)CNCCS 640e5d1ecb13af8078bdd357e5d4e5a0 [0,2,0,0,0,0|1,1,0]=4 6853 B9R0.47 CC(C)N(C)CCCCO 72b85abd329a541ea2ae752b96d79f00 [0,2,0,0,0,0|2,0,0]=4 6854 B9R0.47 CC(C)[C@@H](C)NCCCO 3ea3a7ecd0c94521bbba483d56fc5328 [0,2,0,0,0,0|2,0,0]=4 6855 B9R0.47 CC(C)[C@@H](C)OCCCF 8ac1c67014c56489cf287ea19f44b6be [0,2,0,0,0,0|2,0,0]=4 6856 B9R0.47 CC(C)[C@@H](C)OCCCS 3d11b36864b7e7aabd92d794b6a0a1c3 [0,2,0,0,0,0|2,0,0]=4 6857 B9R0.47 CC(C)[C@H](C)NCCCO b8abd485d2ce5d94159717c8c2c4201a [0,2,0,0,0,0|2,0,0]=4 6858 B9R0.47 CC(C)[C@H](C)OCCCF 942afebb401bb9ab21bd29a53b15be06 [0,2,0,0,0,0|2,0,0]=4 6859 B9R0.47 CC(C)[C@H](C)OCCCS c7d5a932056336f8620590640e287bd1 [0,2,0,0,0,0|2,0,0]=4 6860 B9R0.47 CC(CNCCO)N(C)C 535af91703feab3786914589c3091a85 [0,2,0,0,0,0|2,0,0]=4 6861 B9R0.47 CC(COCCF)N(C)C b3cfb4b29b632a110d304baae652e686 [0,2,0,0,0,0|2,0,0]=4 6862 B9R0.47 CC(COCCS)N(C)C 2caeea6e3f1c198d2ed723d47ecf7b33 [0,2,0,0,0,0|1,1,0]=4 6863 B9R0.47 CC(O)C(C)NCCCF 314dcf0ecf996c9e531c5fe73f5d90f8 [0,2,0,0,0,0|2,0,0]=4 6864 B9R0.47 CC(O)C(C)NCCCO cf03c63e56577ece61b49fa26702c8ff [0,2,0,0,0,0|2,0,0]=4 6865 B9R0.47 CC(O)C(C)NCCCS 9de6784e2954697c78f5ecd74dfac414 [0,2,0,0,0,0|2,0,0]=4 6866 B9R0.47 CC(OCCCF)C(=O)O ddfcf78dbb1fe50f64d18343e663a33b [0,2,0,0,0,0|1,0,1]=4 6867 B9R0.47 CC(OCCCF)C(F)F 19248e9dd1f2dd0e0caa346443420ed7 [0,2,0,0,0,0|2,0,0]=4 6868 B9R0.47 CC(OCCCS)C(F)F 4e51d75457cc6ab020a18a47e3bfc882 [0,2,0,0,0,0|2,0,0]=4 6869 B9R0.47 CC(S)C(C)OCCCF 9a7a1eda6c6125dc62c4c2118d987410 [0,2,0,0,0,0|1,1,0]=4 6870 B9R0.47 CC(S)C(C)OCCCS a1ab188152d396e5e1ef528d97778690 [0,2,0,0,0,0|1,1,0]=4 6871 B9R0.47 CCCCNC(=O)C(C)O 869307c83e8c07004b30ff19276a13f2 [0,2,0,0,0,0|1,0,1]=4 6872 B9R0.47 CCCCNC(=O)C(O)O 16b2996edec637581766cb155148cfe4 [0,2,0,0,0,0|1,0,1]=4 6873 B9R0.47 CCCCNC(=O)[C@@H](C)O 7ecb649f950e3b6c5f53bd62fbec3619 [0,2,0,0,0,0|1,0,1]=4 6874 B9R0.47 CCCCNC(=O)[C@H](C)O fd6bb0fb1788b038b750625ab18ad066 [0,2,0,0,0,0|1,0,1]=4 6875 B9R0.47 CCCCNC(C)C(=O)O 5312a5a4ac0d505f773570b1c1dc7471 [0,2,0,0,0,0|1,0,1]=4 6876 B9R0.47 CCCCNC(C)C(C)C 63c95e4d359ae5dd9125f0614536a866 [0,2,0,0,0,0|2,0,0]=4 6877 B9R0.47 CCCCNC(C)C(C)O d27a7bb84c0da776e41862fdd9de899e [0,2,0,0,0,0|1,0,0]=3 6878 B9R0.47 CCCCNC(O)C(=O)O 374139cd4b934cd91b6a9ec96c5a0b99 [0,2,0,0,0,0|1,0,1]=4 6879 B9R0.47 CCCCN[C@@H](C)C(=O)O 519d28cb2ff838f7dcf305efd2de1951 [0,2,0,0,0,0|1,0,1]=4 6880 B9R0.47 CCCCN[C@@H](C)C(C)C cba91255b3a2df192a74309d254dcf5e [0,2,0,0,0,0|2,0,0]=4 6881 B9R0.47 CCCCN[C@@H](C)C(F)F 769efdf6862f834a18ab07f3fdcbdd81 [0,2,0,0,0,0|2,0,0]=4 6882 B9R0.47 CCCCN[C@H](C)C(=O)O cd795f2ef98308f6ebf803867211dca8 [0,2,0,0,0,0|1,0,1]=4 6883 B9R0.47 CCCCN[C@H](C)C(C)C bf3d648d7cc65b14ad838388c95a19d9 [0,2,0,0,0,0|2,0,0]=4 6884 B9R0.47 CCCCN[C@H](C)C(F)F 2437fb9e48a9dfbbee0e337e1ea9de0b [0,2,0,0,0,0|2,0,0]=4 6885 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [0,2,0,0,0,0|0,0,2]=4 6886 B9R0.47 CCCCOC(C)C(=O)N 93ffcc07fd8ca6c83cba6693932eaa12 [0,2,0,0,0,0|0,0,2]=4 6887 B9R0.47 CCCCOC(C)C(=O)O db49def1ae579c60f3b0671857091689 [0,2,0,0,0,0|0,0,1]=3 6888 B9R0.47 CCCCOC(C)C(C)C 116358a791b9be38ac1218d7c6b247a8 [0,2,0,0,0,0|1,0,0]=3 6889 B9R0.47 CCCCOC(C)C(C)S caa0a6bcfd86b8ede6e667db0adbb1a2 [0,2,0,0,0,0|0,1,0]=3 6890 B9R0.47 CCCCOC(C)C(F)F b06a95863caf9f2d851d8aca25265cd0 [0,2,0,0,0,0|1,0,0]=3 6891 B9R0.47 CCCCOC(F)C(=O)N 9f9586d0cf25ed0afb06f8dc8ddcc70c [0,2,0,0,0,0|0,0,2]=4 6892 B9R0.47 CCCCOC(F)C(=O)O 8211b720c423c5874363ee681b819aaa [0,2,0,0,0,0|0,0,1]=3 6893 B9R0.47 CCCCO[C@@H](C)C(=O)N 0aa9ebfb7acab02e489bdc74aacc1a54 [0,2,0,0,0,0|0,0,2]=4 6894 B9R0.47 CCCCO[C@@H](C)C(=O)O cd3f9b9b4a86455f190433fe9f8db5a9 [0,2,0,0,0,0|0,0,1]=3 6895 B9R0.47 CCCCO[C@@H](C)C(C)C 6352123bcdec3efea040dacafe835ccc [0,2,0,0,0,0|1,0,0]=3 6896 B9R0.47 CCCCO[C@@H](F)C(=O)O 000616a107be951056a3f838e90d9eca [0,2,0,0,0,0|0,0,1]=3 6897 B9R0.47 CCCCO[C@H](C)C(=O)N 896278da9cdaad47181bea917da86f53 [0,2,0,0,0,0|0,0,2]=4 6898 B9R0.47 CCCCO[C@H](C)C(=O)O e439b368527339689ee28968ccfcc65d [0,2,0,0,0,0|0,0,1]=3 6899 B9R0.47 CCCCO[C@H](C)C(C)C dc5da542679c421e8ae26af81730b8c1 [0,2,0,0,0,0|1,0,0]=3 6900 B9R0.47 CCCNCC(C)C(C)C 5bf4ec242f348330e4ec11f7a4be29ec [0,2,0,0,0,0|2,0,0]=4 6901 B9R0.47 CCCNCC(O)C(C)C 2d03132ca172d1df078e55414af8be05 [0,2,0,0,0,0|2,0,0]=4 6902 B9R0.47 CCCOCC(=O)C(C)C 507657e3c567336d1a3cd45ed59e26ae [0,2,0,0,0,0|1,0,1]=4 6903 B9R0.47 CCCOCC(C)C(=O)C 0fb5e42fbfa851146ec077857c58aebf [0,2,0,0,0,0|1,0,1]=4 6904 B9R0.47 CCCOCC(C)C(C)C 2cec6d18277e99266f7ba8a34abc0f38 [0,2,0,0,0,0|1,0,0]=3 6905 B9R0.47 CCCOCC(C)N(C)C d384364c8d88328cf89f501739386524 [0,2,0,0,0,0|2,0,0]=4 6906 B9R0.47 CCCOC[C@@H](C)N(C)C 9bc14d046236c6d38e928f5122fc605b [0,2,0,0,0,0|2,0,0]=4 6907 B9R0.47 CCCOC[C@H](C)N(C)C 3c88ce1fad51cf008b5bea298df4c9a8 [0,2,0,0,0,0|2,0,0]=4 6908 B9R0.47 CCOCNC(C)C(C)O 260c045fc0438d8d26353d72b8286565 [0,2,0,0,0,0|2,0,0]=4 6909 B9R0.47 CCOCOC(C)C(C)C d8a5918c3d6fbb16c7a5c54b3ed3a89c [0,2,0,0,0,0|2,0,0]=4 6910 B9R0.47 CCOCOC(C)C(C)S 8767134046e156c73118a2f3e1f92902 [0,2,0,0,0,0|1,1,0]=4 6911 B9R0.47 CCOCOC(C)C(F)F eb49af9d4d69334057480a94829fbaaf [0,2,0,0,0,0|2,0,0]=4 6912 B9R0.47 CCOCO[C@@H](C)C(C)C a62293b2b5def7c34475698e60f33de6 [0,2,0,0,0,0|2,0,0]=4 6913 B9R0.47 CCOCO[C@H](C)C(C)C 20a709c07167b68d45468782735755dc [0,2,0,0,0,0|2,0,0]=4 6914 B9R0.47 COCCNC(C)C(C)O de08b63c00da8ef0ad8ed20661b1266b [0,2,0,0,0,0|2,0,0]=4 6915 B9R0.47 COCCOC(C)C(=O)O bdf1a254b37216a8d2ed7da014c4517c [0,2,0,0,0,0|1,0,1]=4 6916 B9R0.47 COCCOC(C)C(C)C a5983caffff580dee75bd90cc00ae827 [0,2,0,0,0,0|2,0,0]=4 6917 B9R0.47 COCCOC(C)C(C)S 439900a7618a130eed37e203cc548808 [0,2,0,0,0,0|1,1,0]=4 6918 B9R0.47 COCCOC(C)C(F)F 01f3f5011dfb94f5f276f10243db48b6 [0,2,0,0,0,0|2,0,0]=4 6919 B9R0.47 COCCO[C@@H](C)C(=O)O cbbf64fcf81523201b9bad4f65fe6537 [0,2,0,0,0,0|1,0,1]=4 6920 B9R0.47 COCCO[C@@H](C)C(C)C 8be492983a5e632fff36362418da3dec [0,2,0,0,0,0|2,0,0]=4 6921 B9R0.47 COCCO[C@H](C)C(=O)O 8c368e06685828adf2f4670b10d06793 [0,2,0,0,0,0|1,0,1]=4 6922 B9R0.47 COCCO[C@H](C)C(C)C 64918972215a862acc131f6628aa3943 [0,2,0,0,0,0|2,0,0]=4 6923 B9R0.47 COCOCC(C)C(C)C 31e1e3ef66b10144e52c03e938da809a [0,2,0,0,0,0|2,0,0]=4 6924 B9R0.47 CSCCNC(C)C(C)O 259aa6cd31f40f7272e5c98a5b745307 [0,2,0,0,0,0|2,0,0]=4 6925 B9R0.47 CSCCOC(C)C(=O)O 7b056b3e548abb94964af17236ce4835 [0,2,0,0,0,0|1,0,1]=4 6926 B9R0.47 CSCCOC(C)C(C)C f87a670341fde4e79ada19bf72b693ae [0,2,0,0,0,0|2,0,0]=4 6927 B9R0.47 CSCCOC(C)C(C)S 5d7e0214533ef33215047728901f2c95 [0,2,0,0,0,0|1,1,0]=4 6928 B9R0.47 CSCCOC(C)C(F)F e61b2a4defd85f61a6248a4cb053a5ef [0,2,0,0,0,0|2,0,0]=4 6929 B9R0.47 CSCCO[C@@H](C)C(=O)O a461cacb6f24ab66f4b4b675fdf36e50 [0,2,0,0,0,0|1,0,1]=4 6930 B9R0.47 CSCCO[C@@H](C)C(C)C cda29a8254b9f60a39cbfb2da370febb [0,2,0,0,0,0|2,0,0]=4 6931 B9R0.47 CSCCO[C@H](C)C(=O)O 4ef0eee61363938af1f7ba8295e247ad [0,2,0,0,0,0|1,0,1]=4 6932 B9R0.47 CSCCO[C@H](C)C(C)C d06be6777ec22d0821ee0e7906139fa6 [0,2,0,0,0,0|2,0,0]=4 6933 B9R0.47 CSCOCC(C)C(C)C 6aa7ae9d8318ca6a96bd03e57f5e9fe1 [0,2,0,0,0,0|2,0,0]=4 6934 B9R0.47 C[C@@H](COCCF)N(C)C f00cf4a1fb4f671b9205caf7dc77d640 [0,2,0,0,0,0|2,0,0]=4 6935 B9R0.47 C[C@@H](COCCS)N(C)C ed881fb9f0c28684c3e4d0e1ea61d91e [0,2,0,0,0,0|1,1,0]=4 6936 B9R0.47 C[C@@H](OCCCF)C(=O)O a8c18e800a5a23d1f1971078ddf7ebda [0,2,0,0,0,0|1,0,1]=4 6937 B9R0.47 C[C@H](COCCF)N(C)C c2693056457c82ebfb259752ea1d4a6c [0,2,0,0,0,0|2,0,0]=4 6938 B9R0.47 C[C@H](COCCS)N(C)C f6a2a8ab182e5604dcba34b91145af1e [0,2,0,0,0,0|1,1,0]=4 6939 B9R0.47 C[C@H](OCCCF)C(=O)O 025d1de81ef19c2829e9c715489ed779 [0,2,0,0,0,0|1,0,1]=4 6940 B9R0.47 OCCNCC(O)C(F)F 5c99e62ccd644d270b8b8c41c7e55539 [0,2,0,0,0,0|2,0,0]=4 6941 B9R0.50 C#CC(C#C)OCCCC cf48a4a3d1579948de3f0f0e8c8c56bc [0,2,0,0,0,0|1,0,1]=4 6942 B9R0.50 C#CC(C=C)OCCCC 6aa5cee7815f4f11200d208342bd1db0 [0,2,0,0,0,0|1,0,1]=4 6943 B9R0.50 C#CC(CC)OCCCC 6a7ceec52efe3208796e9557b7ec52fc [0,2,0,0,0,0|1,0,0]=3 6944 B9R0.50 C#CC(CC)OCCCF fcd8e069625fb5fb17615b9f2dbd46d0 [0,2,0,0,0,0|2,0,0]=4 6945 B9R0.50 C#CC(CC)OCCCS ecbae19078d72f37f6b0b77e39f82c1f [0,2,0,0,0,0|2,0,0]=4 6946 B9R0.50 C#CC(CC)OCCOC 2f7029f681b6a43d0a649a758d5cb970 [0,2,0,0,0,0|2,0,0]=4 6947 B9R0.50 C#CC(CC)OCCSC d4fa51b76b189462cd299038504a00f7 [0,2,0,0,0,0|2,0,0]=4 6948 B9R0.50 C#CC(CC)OCOCC 375490f2f743b5e24fdbf51ef0e7ef11 [0,2,0,0,0,0|2,0,0]=4 6949 B9R0.50 C#CCCOC(CO)CO 6723bd0b120a78f524aee784ef410275 [0,2,0,0,0,0|0,0,2]=4 6950 B9R0.50 C#CCOCC(CC)CC 5cd0be7dba452b4122761b9c3f65d29e [0,2,0,0,0,0|1,0,1]=4 6951 B9R0.50 C#CCOCC(CC)OC f6919ad09319611d6b608ce2310435e1 [0,2,0,0,0,0|1,0,1]=4 6952 B9R0.50 C/C=C/COC(CO)CO 1e20cebb1aacaeaa97f6fd702b68b763 [0,2,0,0,0,0|0,0,2]=4 6953 B9R0.50 C/C=C\COC(CO)CO 8cc819b9a983962fcab5c06d155f7b96 [0,2,0,0,0,0|0,0,2]=4 6954 B9R0.50 C=CC(C=C)OCCCC ab7cd24288c143103860d36be86b3b7a [0,2,0,0,0,0|1,0,1]=4 6955 B9R0.50 C=CC(CC)OCCCC c4ab6fc8dfc087891ae2542a53a4d2d9 [0,2,0,0,0,0|1,0,0]=3 6956 B9R0.50 C=CC(CC)OCCCF 0b9ec9ffb01f997dc34b086d5976d57b [0,2,0,0,0,0|2,0,0]=4 6957 B9R0.50 C=CC(CC)OCCCS 435a1c122437253a703ab7fba5017082 [0,2,0,0,0,0|2,0,0]=4 6958 B9R0.50 C=CC(CC)OCCOC b9f63b6d573783f53532dd1b8db359d5 [0,2,0,0,0,0|2,0,0]=4 6959 B9R0.50 C=CC(CC)OCCSC a8301f11f387823aac056b6c36774c89 [0,2,0,0,0,0|2,0,0]=4 6960 B9R0.50 C=CC(CC)OCOCC 35d46e1176f4336b9ce258df41c5ebf0 [0,2,0,0,0,0|2,0,0]=4 6961 B9R0.50 C=CCCOC(CO)CO b88060304e87d0176a26b396eacc41b8 [0,2,0,0,0,0|0,0,2]=4 6962 B9R0.50 C=CCOCC(CC)CC 758b74ff931dbc6b07e614ed0b7daad2 [0,2,0,0,0,0|1,0,1]=4 6963 B9R0.50 C=CCOCC(CC)OC 7ff7ef784f504d3038f821cefe03570d [0,2,0,0,0,0|1,0,1]=4 6964 B9R0.50 C=C[C@@H](CO)NCCCC 78ae346201d1dc8c2a1c0e27f5d81a49 [0,2,0,0,0,0|1,0,0]=3 6965 B9R0.50 C=C[C@@H](CO)NCCCF c230762250ab00066bb286e430bf4312 [0,2,0,0,0,0|2,0,0]=4 6966 B9R0.50 C=C[C@@H](CO)NCCCO 40ba9d1baaa2f9f063269b9dd31d8899 [0,2,0,0,0,0|2,0,0]=4 6967 B9R0.50 C=C[C@@H](CO)NCCCS f16871bbaf05543a6e60b69a97f8c64d [0,2,0,0,0,0|2,0,0]=4 6968 B9R0.50 C=C[C@@H](CO)NCCOC a6e674691ba362b0f25db9d86f3ad15a [0,2,0,0,0,0|2,0,0]=4 6969 B9R0.50 C=C[C@@H](CO)NCCSC 76b89627f845ae61114f4dda758cbfe9 [0,2,0,0,0,0|2,0,0]=4 6970 B9R0.50 C=C[C@@H](CO)NCOCC 046e242ebea4beb2223a053874367dfc [0,2,0,0,0,0|2,0,0]=4 6971 B9R0.50 CC#CCOC(CO)CO c750a738b6a19885b85f7627db49bd50 [0,2,0,0,0,0|0,0,2]=4 6972 B9R0.50 CC=CCOC(CO)CO a8b99ec83f8d0bb5fbc6d4d342cb8103 [0,2,0,0,0,0|0,0,2]=4 6973 B9R0.50 CCC(C#N)OCCCF fe67dd00b83658bc890751231dec739d [0,2,0,0,0,0|2,0,0]=4 6974 B9R0.50 CCC(C#N)OCCCS 39c27741bb7583f5fd1d04f5baf1c01e [0,2,0,0,0,0|2,0,0]=4 6975 B9R0.50 CCC(C#N)OCCOC 831fd21abcb029c85206a7e480d76878 [0,2,0,0,0,0|2,0,0]=4 6976 B9R0.50 CCC(C#N)OCCSC f9e4551cf433d9697884840fc4a5f431 [0,2,0,0,0,0|2,0,0]=4 6977 B9R0.50 CCC(C=O)NCCCO 7114e8a20f5b57955f2b3c6ae3807508 [0,2,0,0,0,0|2,0,0]=4 6978 B9R0.50 CCC(C=O)OCCCF b4d2ad23f717620fbb89113cf8433238 [0,2,0,0,0,0|2,0,0]=4 6979 B9R0.50 CCC(C=O)OCCCS ab315594c9f74c32affe7d4800d3825b [0,2,0,0,0,0|2,0,0]=4 6980 B9R0.50 CCC(C=O)OCCOC 306abaf13c5f8136de1f191dfc93d423 [0,2,0,0,0,0|2,0,0]=4 6981 B9R0.50 CCC(C=O)OCCSC 8780cba04cd3e16c25c511f3ea76bd12 [0,2,0,0,0,0|2,0,0]=4 6982 B9R0.50 CCC(CC)CCNCO 2c12f3333d7f1fc0aed7b48c96df1837 [0,2,0,0,0,0|2,0,0]=4 6983 B9R0.50 CCC(CC)CNCCBr e4137d92785eee5e92c4250fe63b74f2 [0,2,0,0,0,0|2,0,0]=4 6984 B9R0.50 CCC(CC)CNCCF b664e7307c7ce263879b89d8cf29e0b5 [0,2,0,0,0,0|2,0,0]=4 6985 B9R0.50 CCC(CC)CNCCI 452633d49eacf51b487d01bd751c1256 [0,2,0,0,0,0|2,0,0]=4 6986 B9R0.50 CCC(CC)CNCCO a963b6b9123317f752e1c196114e5464 [0,2,0,0,0,0|1,0,0]=3 6987 B9R0.50 CCC(CC)CNCCS 0e886b656b20501b96266fa1c4462243 [0,2,0,0,0,0|1,1,0]=4 6988 B9R0.50 CCC(CC)COCC#N 33038d64fea01228a7e0606c7384b827 [0,2,0,0,0,0|1,0,1]=4 6989 B9R0.50 CCC(CC)COCC=O a277911e57163961f14311345df54ee8 [0,2,0,0,0,0|0,0,2]=4 6990 B9R0.50 CCC(CC)COCCF 48a9c4ca82dd767d0d3cf974737e83d9 [0,2,0,0,0,0|1,0,0]=3 6991 B9R0.50 CCC(CC)COCCS 2071933d9a7a75e0ef5bd16933df774d [0,2,0,0,0,0|0,1,0]=3 6992 B9R0.50 CCC(CC)COCOC 7b1cec0052e438ced3ffa3ee09002442 [0,2,0,0,0,0|2,0,0]=4 6993 B9R0.50 CCC(CC)COCSC ece20b2050451f74c9ee44784638b673 [0,2,0,0,0,0|2,0,0]=4 6994 B9R0.50 CCC(CC)NCCCO 7a878469a24193b99d971a99763489b5 [0,2,0,0,0,0|2,0,0]=4 6995 B9R0.50 CCC(CC)OCCCF 2b7a3cb593b94c9f32a45c924aea5260 [0,2,0,0,0,0|2,0,0]=4 6996 B9R0.50 CCC(CC)OCCCS ae1812c19aa8b8e19b39adfe778bcc79 [0,2,0,0,0,0|2,0,0]=4 6997 B9R0.50 CCC(CC)OCCOC f04c5f2353d512fa7331f9f3afec8022 [0,2,0,0,0,0|2,0,0]=4 6998 B9R0.50 CCC(CC)OCCSC 6bcd9330fc4c80bf6e728779015387e0 [0,2,0,0,0,0|2,0,0]=4 6999 B9R0.50 CCC(CO)CNCCBr 8109e5fb53bfbf7bc5b001bd433b7f32 [0,2,0,0,0,0|2,0,0]=4 7000 B9R0.50 CCC(CO)CNCCF 640ccbdc7940ab3b1cca8ec3e7542bb7 [0,2,0,0,0,0|2,0,0]=4 7001 B9R0.50 CCC(CO)CNCCI 7b9f51f4e71987379388a51f101f6fbe [0,2,0,0,0,0|2,0,0]=4 7002 B9R0.50 CCC(CO)CNCCO 2d1ea68deb61f7eec4d56f79e9b6fe92 [0,2,0,0,0,0|1,0,0]=3 7003 B9R0.50 CCC(CO)CNCCS 29c52bfafcf96362a97727f6ed7b081a [0,2,0,0,0,0|1,1,0]=4 7004 B9R0.50 CCC(CO)NCCCCl 3e045658ddd7db1b1f05bb4b833fe603 [0,2,0,0,0,0|2,0,0]=4 7005 B9R0.50 CCC(CO)NCCCF 0b716bc523cac2db763dd94d7f1726b9 [0,2,0,0,0,0|2,0,0]=4 7006 B9R0.50 CCC(CO)NCCCO 019242eda7d629d45e9d58eb92023bf1 [0,2,0,0,0,0|2,0,0]=4 7007 B9R0.50 CCC(CO)NCCCS 8a8e98333ad1268c4afcbe289aa58e7e [0,2,0,0,0,0|2,0,0]=4 7008 B9R0.50 CCC(CO)NCCOC 004661ec9fb4164da5b0239da9c4a8c8 [0,2,0,0,0,0|2,0,0]=4 7009 B9R0.50 CCC(CO)NCCSC f51cb716c82ecc976d9cefd0b87a94e3 [0,2,0,0,0,0|2,0,0]=4 7010 B9R0.50 CCC(COCC#N)OC f9948da0f794c2c3aa8ba74c7d286137 [0,2,0,0,0,0|1,0,1]=4 7011 B9R0.50 CCC(COCC=O)OC 5e0329fbe38cbae44b9b343b913ffc64 [0,2,0,0,0,0|0,0,2]=4 7012 B9R0.50 CCC(COCCF)OC dde8ae092daea004997f8cee5f7f59b8 [0,2,0,0,0,0|1,0,0]=3 7013 B9R0.50 CCC(COCCS)OC e074849f0f2588641cfd62a222ed9b43 [0,2,0,0,0,0|0,1,0]=3 7014 B9R0.50 CCC(COCOC)OC 3e61e4b3ed3822cf023f26d2a95b66ad [0,2,0,0,0,0|2,0,0]=4 7015 B9R0.50 CCC(COCSC)OC b475aa922f822dc418830a12ad6386b4 [0,2,0,0,0,0|2,0,0]=4 7016 B9R0.50 CCCCNC(C=O)CC 774ffd452d5f55c10b198ec0d6ccc481 [0,2,0,0,0,0|2,0,0]=4 7017 B9R0.50 CCCCNC(CC)CC dd7ab6ef1d0bd56b92e1f05c2fdb5728 [0,2,0,0,0,0|2,0,0]=4 7018 B9R0.50 CCCCNC(CC)CO eb6807e5daf909a4afeca990c93b8c42 [0,2,0,0,0,0|1,0,0]=3 7019 B9R0.50 CCCCNC(CO)CO c9582fba399bc6fff61f99a27cf4633f [0,2,0,0,0,0|1,0,0]=3 7020 B9R0.50 CCCCN[C@@H](CC)CO b20cbabea3f28033dd6029886048846e [0,2,0,0,0,0|1,0,0]=3 7021 B9R0.50 CCCCN[C@H](CC)CO 14fc8a39c9c8759346ce6b750ae89252 [0,2,0,0,0,0|1,0,0]=3 7022 B9R0.50 CCCCOC(C#N)C#N 5f42262bb267a087b380c8f9f1fa3cfc [0,2,0,0,0,0|1,0,1]=4 7023 B9R0.50 CCCCOC(C#N)CC c416156a9214f92355316986d16040bf [0,2,0,0,0,0|1,0,0]=3 7024 B9R0.50 CCCCOC(C=O)C=O 71af65ac7e054dcce5db17c58539e1ee [0,2,0,0,0,0|0,0,2]=4 7025 B9R0.50 CCCCOC(C=O)CC a489a1c0e4d8ef9f526827c78fe09c6d [0,2,0,0,0,0|1,0,0]=3 7026 B9R0.50 CCCCOC(CBr)CBr 53a51606b2e825857d1f93b5684cb472 [0,2,0,0,0,0|1,0,0]=3 7027 B9R0.50 CCCCOC(CC)CC 60099ff5d325cd5ab18720ef79b9cde2 [0,2,0,0,0,0|1,0,0]=3 7028 B9R0.50 CCCCOC(CCl)CBr e4b2c68efafe04fe74c430c005a2da38 [0,2,0,0,0,0|1,0,0]=3 7029 B9R0.50 CCCCOC(CCl)CCl e1e1d5d903e2ac9bcf074425bf89a213 [0,2,0,0,0,0|1,0,0]=3 7030 B9R0.50 CCCCOC(CF)CF 210248a29628bbf47f45b12911022dcf [0,2,0,0,0,0|1,0,0]=3 7031 B9R0.50 CCCCOC(CO)CO 11eb263739108c4f3e8e7457eee158db [0,2,0,0,0,0|0,0,0]=2 7032 B9R0.50 CCCCO[C@@H](CCl)CI afbb52858e64e8889ea22a8ca366dadd [0,2,0,0,0,0|1,0,0]=3 7033 B9R0.50 CCCCO[C@H](CCl)CI 872b32937ba8d1c81b825ce2ddb19b5c [0,2,0,0,0,0|1,0,0]=3 7034 B9R0.50 CCCNCC(CC)CC 02c417e31ef36d5287ee79129ae0d7dd [0,2,0,0,0,0|2,0,0]=4 7035 B9R0.50 CCCNCC(CC)CO fdec3531e4ba05a71db83ab7a1d3677b [0,2,0,0,0,0|2,0,0]=4 7036 B9R0.50 CCCNCC(CO)CO 2859681fca69a9f3343943a50eabb631 [0,2,0,0,0,0|2,0,0]=4 7037 B9R0.50 CCCNC[C@H](CO)OC 1de0f851a51335c4faa83394a2f31d9b [0,2,0,0,0,0|2,0,0]=4 7038 B9R0.50 CCCOCC(CBr)CBr ca0d10c85d739a0114593eb4af0353ae [0,2,0,0,0,0|2,0,0]=4 7039 B9R0.50 CCCOCC(CC)CC 67ff0241d66372bbbaaf95685c7ebbc2 [0,2,0,0,0,0|1,0,0]=3 7040 B9R0.50 CCCOCC(CC)OC 126e67525572f519a796e73aa9590c5e [0,2,0,0,0,0|1,0,0]=3 7041 B9R0.50 CCCOCC(OC)OC dfe17f5f6072cf89e2d77f75730ba44a [0,2,0,0,0,0|2,0,0]=4 7042 B9R0.50 CCCOCN(CC)CC 6490d58f066613ee0bdf9c7195bb053c [0,2,0,0,0,0|2,0,0]=4 7043 B9R0.50 CCN(C=O)CCCCO 896c8ac6f073a59bbf85b1278bba30de [0,2,0,0,0,0|2,0,0]=4 7044 B9R0.50 CCN(CC)CCCCO 1019632568aea287f47829ce026c8846 [0,2,0,0,0,0|2,0,0]=4 7045 B9R0.50 CCN(CC)COCCF 88a173d74450243c60f3d4e28590039a [0,2,0,0,0,0|2,0,0]=4 7046 B9R0.50 CCN(CC)COCCS 4db19a6948660e8c49f8c2ba97788eaf [0,2,0,0,0,0|1,1,0]=4 7047 B9R0.50 CCN(CF)CCCCO b5b1b93da29d2323544e41e593997dae [0,2,0,0,0,0|2,0,0]=4 7048 B9R0.50 CCN(CO)CCCCO 86f4573bd445e6e306e9fed7cd3e0e8a [0,2,0,0,0,0|2,0,0]=4 7049 B9R0.50 CCNCCC(CO)CO 379ecdf3075d96e86bebc578e110e479 [0,2,0,0,0,0|2,0,0]=4 7050 B9R0.50 CCOCNC(CC)CO 5801fa4b995e664bd002f4b3318c3f55 [0,2,0,0,0,0|2,0,0]=4 7051 B9R0.50 CCOCNC(CO)CO ab7600acdc55dd8d4a0baabcb3df74d5 [0,2,0,0,0,0|2,0,0]=4 7052 B9R0.50 CCOCN[C@@H](CC)CO b44c4dbd40370739efa1355bca6c46a8 [0,2,0,0,0,0|2,0,0]=4 7053 B9R0.50 CCOCN[C@H](CC)CO 4c80a01baab1d7d3b61d3e6b06750dea [0,2,0,0,0,0|2,0,0]=4 7054 B9R0.50 CCOCOC(C#N)CC 74a6cb9d56f876988a744d62342063b1 [0,2,0,0,0,0|2,0,0]=4 7055 B9R0.50 CCOCOC(CBr)CBr 5b8db33012197b0d7ffbf1e102f1b564 [0,2,0,0,0,0|2,0,0]=4 7056 B9R0.50 CCOCOC(CC)CC 3a4c111729fe46e303761a521b754297 [0,2,0,0,0,0|2,0,0]=4 7057 B9R0.50 CCOCOC(CCl)CBr 8fdcae89b0d41fe904d7c2e9e28fe062 [0,2,0,0,0,0|2,0,0]=4 7058 B9R0.50 CCOCOC(CCl)CCl b76acaf7e41b31f0d392803cd6ff2a90 [0,2,0,0,0,0|2,0,0]=4 7059 B9R0.50 CCOCOC(CF)CF f1a19752dfd862beb3dbb1989f67b542 [0,2,0,0,0,0|2,0,0]=4 7060 B9R0.50 CCOCO[C@@H](CCl)CI c4ac0e14866477fcfb2ae09654d97957 [0,2,0,0,0,0|2,0,0]=4 7061 B9R0.50 CCOCO[C@H](CCl)CI 259d8929dc05af99c13a4faacf36cf37 [0,2,0,0,0,0|2,0,0]=4 7062 B9R0.50 CC[C@@H](CO)NCCCF 73f60cc224c58b32c1f16888848be08a [0,2,0,0,0,0|2,0,0]=4 7063 B9R0.50 CC[C@@H](CO)NCCCO aa9c8664da5f851275cd3a65335aecc2 [0,2,0,0,0,0|2,0,0]=4 7064 B9R0.50 CC[C@@H](CO)NCCCS 3b125ccecf672dc62943310a6b49fe0e [0,2,0,0,0,0|2,0,0]=4 7065 B9R0.50 CC[C@@H](CO)NCCOC 53370cf41df237e17c3463a7d9e51bf1 [0,2,0,0,0,0|2,0,0]=4 7066 B9R0.50 CC[C@@H](CO)NCCSC 035fb312db45a708298b1d77820d4bb7 [0,2,0,0,0,0|2,0,0]=4 7067 B9R0.50 CC[C@H](CO)NCCCF cbdc1fe8db46886b6844875aad12cc6d [0,2,0,0,0,0|2,0,0]=4 7068 B9R0.50 CC[C@H](CO)NCCCO 2e8a24e47b172b792354f1c15922a3e5 [0,2,0,0,0,0|2,0,0]=4 7069 B9R0.50 CC[C@H](CO)NCCCS c74f0bb640613d25c550879dc9541676 [0,2,0,0,0,0|2,0,0]=4 7070 B9R0.50 CC[C@H](CO)NCCOC 5f68dc08c9e12b70e18630e6b741d78b [0,2,0,0,0,0|2,0,0]=4 7071 B9R0.50 CC[C@H](CO)NCCSC 576386dd2e2d41a440685ac906ad7621 [0,2,0,0,0,0|2,0,0]=4 7072 B9R0.50 COC(CNCCO)OC 3637757c9605082c8591925a7041b3f5 [0,2,0,0,0,0|2,0,0]=4 7073 B9R0.50 COC(COCCF)OC 74290bd476b36bb3c7b8e4bd958590a8 [0,2,0,0,0,0|2,0,0]=4 7074 B9R0.50 COC(COCCS)OC cff028d0a358f00433674d7eef82ca53 [0,2,0,0,0,0|1,1,0]=4 7075 B9R0.50 COCCNC(CO)CO 4fadf2440c0bdf61d757619296481bd8 [0,2,0,0,0,0|2,0,0]=4 7076 B9R0.50 COCCOC(CBr)CBr d9e9c0cc86ed9470576db69c88fafb03 [0,2,0,0,0,0|2,0,0]=4 7077 B9R0.50 COCCOC(CCl)CBr bab32e590a63e71350b60d1491f09a6c [0,2,0,0,0,0|2,0,0]=4 7078 B9R0.50 COCCOC(CCl)CCl 2353374b785311a2e5599240ca3e06a6 [0,2,0,0,0,0|2,0,0]=4 7079 B9R0.50 COCCOC(CF)CF 53a3018bc6ec9050d99ca3db83027f75 [0,2,0,0,0,0|2,0,0]=4 7080 B9R0.50 COCCOC(CO)CO 287593aa34d4f4021b6ed4863d34b8c3 [0,2,0,0,0,0|1,0,0]=3 7081 B9R0.50 COCCO[C@@H](CCl)CI 32490b4a5321a355c84726b551aa67cc [0,2,0,0,0,0|2,0,0]=4 7082 B9R0.50 COCCO[C@H](CCl)CI 87a8e9590e47fd82b2c6b3a4b73a4b5b [0,2,0,0,0,0|2,0,0]=4 7083 B9R0.50 CO[C@@H](CO)CNCCO c24cc9310e84d47503ec0a289ee3bc68 [0,2,0,0,0,0|2,0,0]=4 7084 B9R0.50 CSCCNC(CO)CO 9615ce814e67b3625c2a615b252fb53b [0,2,0,0,0,0|2,0,0]=4 7085 B9R0.50 CSCCOC(CBr)CBr 1f6b06d276f6a1c26869aff3ee5cf8fd [0,2,0,0,0,0|2,0,0]=4 7086 B9R0.50 CSCCOC(CCl)CBr 90fca087a1a77c2dfbf9d38901e1c44b [0,2,0,0,0,0|2,0,0]=4 7087 B9R0.50 CSCCOC(CCl)CCl 05e6801b5c956c3f240068a2a85e84ab [0,2,0,0,0,0|2,0,0]=4 7088 B9R0.50 CSCCOC(CF)CF 7311660398e3b776fa3c819496caab40 [0,2,0,0,0,0|2,0,0]=4 7089 B9R0.50 CSCCOC(CO)CO 356d1a41632977fe40613d2383f46a12 [0,2,0,0,0,0|1,0,0]=3 7090 B9R0.50 CSCCO[C@@H](CCl)CI f40304129ade5f6ef6a2f7b971d53661 [0,2,0,0,0,0|2,0,0]=4 7091 B9R0.50 CSCCO[C@H](CCl)CI 175c57a04a2fd18274d91f307d94f1a5 [0,2,0,0,0,0|2,0,0]=4 7092 B9R0.50 FCC(CF)OCCCS 43bc06e013bd60f422f9c332677d7675 [0,2,0,0,0,0|2,0,0]=4 7093 B9R0.50 FCCCOC(CBr)CBr 306c8e500d65a659276db9cb7ecff2e4 [0,2,0,0,0,0|2,0,0]=4 7094 B9R0.50 FCCCOC(CCl)CBr 329497f8b4624e4fac988ca6145efa62 [0,2,0,0,0,0|2,0,0]=4 7095 B9R0.50 FCCCOC(CCl)CCl a16a9cf562cd6790270f7430db4f2b02 [0,2,0,0,0,0|2,0,0]=4 7096 B9R0.50 FCCCOC(CF)CF adf98a5441541dd66f33fecdf6fe2f78 [0,2,0,0,0,0|2,0,0]=4 7097 B9R0.50 FCCCO[C@@H](CCl)CI 5eb02647fa224a35ccea6d1efd11afd2 [0,2,0,0,0,0|2,0,0]=4 7098 B9R0.50 FCCCO[C@H](CCl)CI 978a244fcb052862f81ea51ca859f102 [0,2,0,0,0,0|2,0,0]=4 7099 B9R0.50 FCCOCC(CBr)CBr d7a051064760ee9136d8c4e656c36bf1 [0,2,0,0,0,0|2,0,0]=4 7100 B9R0.50 N#CCCOC(CO)CO 55a66460ace8f5e69498410736e432ab [0,2,0,0,0,0|1,0,1]=4 7101 B9R0.50 O=CCCOC(CO)CO b30ee6e480374324cd97a5cd96ee955b [0,2,0,0,0,0|1,0,1]=4 7102 B9R0.50 OCC(CO)NCCCCl 0af6c741db712dc4e23b999ead8cf500 [0,2,0,0,0,0|2,0,0]=4 7103 B9R0.50 OCC(CO)NCCCF 99d23538776dce73b412dbe8a3519677 [0,2,0,0,0,0|2,0,0]=4 7104 B9R0.50 OCC(CO)NCCCS c7c33d0ce63fc3adc3f27f8d91ef1ac0 [0,2,0,0,0,0|2,0,0]=4 7105 B9R0.50 OCC(CO)OCCCF a0b6d157ab0a988b5a0499e2772f980d [0,2,0,0,0,0|1,0,0]=3 7106 B9R0.50 OCC(CO)OCCCS 796471700c70e3482877553b38917afe [0,2,0,0,0,0|1,0,0]=3 7107 B9R0.50 OCCCNC(CO)CO dfb4f574333d870701f917ba11e4cdd7 [0,2,0,0,0,0|2,0,0]=4 7108 B9R0.50 OCCNCC(CO)CO ddf7be07bed32b690c0df1f79548a1e9 [0,2,0,0,0,0|2,0,0]=4 7109 B9R0.50 SCCCOC(CBr)CBr 8a37f6b0239f7de560d42072bcca56dd [0,2,0,0,0,0|2,0,0]=4 7110 B9R0.50 SCCCOC(CCl)CBr 1b0b8dbb1bb8a30780fcd013a48f8800 [0,2,0,0,0,0|2,0,0]=4 7111 B9R0.50 SCCCOC(CCl)CCl 038f6e47df031927f95ed3846e68b20f [0,2,0,0,0,0|2,0,0]=4 7112 B9R0.50 SCCCO[C@@H](CCl)CI a60fc68419b33d8968f86b2ed837760b [0,2,0,0,0,0|2,0,0]=4 7113 B9R0.50 SCCCO[C@H](CCl)CI df1a47e9a2ef2cb508f1b1a1ce6962cd [0,2,0,0,0,0|2,0,0]=4 7114 B9R0.50 SCCOCC(CBr)CBr 573695f969b4d08257f50fe7d16dd6b7 [0,2,0,0,0,0|1,1,0]=4 7115 B9R0.38 C#CCCOCC(C)(C)O 0c38827061ced7098dfb0675a6b09da3 [0,2,0,0,0,0|0,0,2]=4 7116 B9R0.38 C#CCOCCC(C)(C)C 37e0aad78f60b78eaafe6e5d6a21ace9 [0,2,0,0,0,0|1,0,1]=4 7117 B9R0.38 C#CCOCCC(C)(C)O 5e0b496878734d6c4b60ec9745af721f [0,2,0,0,0,0|1,0,1]=4 7118 B9R0.38 C#CCOCCC(C)(C)S bf23b5b4567220c73055cc0f01e3e90b [0,2,0,0,0,0|1,0,1]=4 7119 B9R0.38 C#CCOCCC(C)(F)F 1ba0654aea7adbf1fb0eaaea19a3a904 [0,2,0,0,0,0|1,0,1]=4 7120 B9R0.38 C/C=C/COCC(C)(C)O 3c4d5832a4a5f2f5f0b1f065c8d435db [0,2,0,0,0,0|0,0,2]=4 7121 B9R0.38 C/C=C\COCC(C)(C)O f36f915d8bdfe8002173f3961188eaf7 [0,2,0,0,0,0|0,0,2]=4 7122 B9R0.38 C=CCCOCC(C)(C)O 84d5dbc9d4436844382e56fa064e5adf [0,2,0,0,0,0|0,0,2]=4 7123 B9R0.38 C=CCOCCC(C)(C)C 5c21b38c90880fba75ee0385d797226f [0,2,0,0,0,0|1,0,1]=4 7124 B9R0.38 C=CCOCCC(C)(C)S eafa2430be3aca9e8cdc10b78896973c [0,2,0,0,0,0|1,0,1]=4 7125 B9R0.38 C=CCOCCC(C)(F)F 0073c11f26503c3e9cd5e0e9814b9efe [0,2,0,0,0,0|1,0,1]=4 7126 B9R0.38 CC#CCOCC(C)(C)O a01ead5779abc2f2a33574a428c584cc [0,2,0,0,0,0|0,0,2]=4 7127 B9R0.38 CC(C)(Br)COCCCF 0ab9d3a73a8b75209bae107a022b5d60 [0,2,0,0,0,0|2,0,0]=4 7128 B9R0.38 CC(C)(Br)COCCCS dcac58c770f02f1653f8432491f94174 [0,2,0,0,0,0|2,0,0]=4 7129 B9R0.38 CC(C)(C)CCCNCO 64c9012f6bb00754027d3347633305fb [0,2,0,0,0,0|2,0,0]=4 7130 B9R0.38 CC(C)(C)CCNCCBr c96343dd4ad25360c22583c2ac0aa0e3 [0,2,0,0,0,0|2,0,0]=4 7131 B9R0.38 CC(C)(C)CCNCCF 547ada23dd8a5476e4034741b8b1c6c0 [0,2,0,0,0,0|2,0,0]=4 7132 B9R0.38 CC(C)(C)CCNCCI 88dee39504d1fef4be4ba6c5399c2ef6 [0,2,0,0,0,0|2,0,0]=4 7133 B9R0.38 CC(C)(C)CCNCCO 6eb6b2dfda96ac5350793be35dbc1dc9 [0,2,0,0,0,0|1,0,0]=3 7134 B9R0.38 CC(C)(C)CCNCCS b8b515a5c56d14f97158c9705e3dd73b [0,2,0,0,0,0|1,1,0]=4 7135 B9R0.38 CC(C)(C)CCOCC#N 8a6931e581320ffdadd5b1ebaca4428a [0,2,0,0,0,0|1,0,1]=4 7136 B9R0.38 CC(C)(C)CCOCC=O 2359e92f971759a4c5237c904bc4f9f8 [0,2,0,0,0,0|0,0,2]=4 7137 B9R0.38 CC(C)(C)CCOCCF 123f4ab0677fbb10052532863d821eb0 [0,2,0,0,0,0|1,0,0]=3 7138 B9R0.38 CC(C)(C)CCOCCS 1725acf425994d6a4448f180da1310bb [0,2,0,0,0,0|0,1,0]=3 7139 B9R0.38 CC(C)(C)CNCCCO ebf98f289fcfc344d1c95e0fe4a1f178 [0,2,0,0,0,0|2,0,0]=4 7140 B9R0.38 CC(C)(C)COCCCF 0692d80147009b95d402a3172a38c659 [0,2,0,0,0,0|2,0,0]=4 7141 B9R0.38 CC(C)(C)COCCCS 400c2dc8931a7e179b0f1cf1ccb6fd0f [0,2,0,0,0,0|2,0,0]=4 7142 B9R0.38 CC(C)(C)NCCCCO 09cb4beb1f2376b818965df7bf3710ef [0,2,0,0,0,0|2,0,0]=4 7143 B9R0.38 CC(C)(F)CCNCCF 69e8fb138485fbe5a49110137afa2f66 [0,2,0,0,0,0|2,0,0]=4 7144 B9R0.38 CC(C)(F)CCNCCO 046bc8e7b6417acbc4d3f309287b362b [0,2,0,0,0,0|1,0,0]=3 7145 B9R0.38 CC(C)(F)CCNCCS 8c400dcb0eae11a0abf3bccd54b0b199 [0,2,0,0,0,0|1,1,0]=4 7146 B9R0.38 CC(C)(F)CNCCCO e681de08b90533fc8b899297e7fdd5de [0,2,0,0,0,0|2,0,0]=4 7147 B9R0.38 CC(C)(F)COCCCF 8bc6e65c21cb2c1fa4c45721ecfb1df0 [0,2,0,0,0,0|2,0,0]=4 7148 B9R0.38 CC(C)(F)COCCCS 846f0bc9fd5fa270a3b0fcb633520f50 [0,2,0,0,0,0|2,0,0]=4 7149 B9R0.38 CC(C)(O)CCCNCO f6830582b07ea8a3948bbdbfc927befc [0,2,0,0,0,0|2,0,0]=4 7150 B9R0.38 CC(C)(O)CCNCCBr da91ab64365207b623c3e043a69cd1aa [0,2,0,0,0,0|2,0,0]=4 7151 B9R0.38 CC(C)(O)CCNCCF 00bf63c44b1982b6e7bc9f20b6c6f95d [0,2,0,0,0,0|2,0,0]=4 7152 B9R0.38 CC(C)(O)CCNCCI 1eac6b086d7651b8015bc73888322c69 [0,2,0,0,0,0|2,0,0]=4 7153 B9R0.38 CC(C)(O)CCNCCO 2ee28beaeb3dca181c7520a7757cf233 [0,2,0,0,0,0|1,0,0]=3 7154 B9R0.38 CC(C)(O)CCNCCS d8cdb7437f98797a0516e1d3780cc730 [0,2,0,0,0,0|1,1,0]=4 7155 B9R0.38 CC(C)(O)CCOCC#N f691b12eda1b86fe05b55876c89b4846 [0,2,0,0,0,0|1,0,1]=4 7156 B9R0.38 CC(C)(O)CCOCCF f8893d38819049e8bc0442939d3df08b [0,2,0,0,0,0|1,0,0]=3 7157 B9R0.38 CC(C)(O)CCOCCS ab639b6e9457b77e1fd34f2d7c58ab2e [0,2,0,0,0,0|0,1,0]=3 7158 B9R0.38 CC(C)(O)CNCCCCl 9efefd6965c94fd13c8990cbd67c3522 [0,2,0,0,0,0|2,0,0]=4 7159 B9R0.38 CC(C)(O)CNCCCF ef803b8c3a29585a601ca0828a306b03 [0,2,0,0,0,0|2,0,0]=4 7160 B9R0.38 CC(C)(O)CNCCCO 2f8639bd42a9328013ff5ca4fbed11f9 [0,2,0,0,0,0|2,0,0]=4 7161 B9R0.38 CC(C)(O)CNCCCS a16aabeb7df3049b54b32a5e2978ae4d [0,2,0,0,0,0|2,0,0]=4 7162 B9R0.38 CC(C)(O)COCCC#N 2cad5aadb263b304fe47fdaa5357f488 [0,2,0,0,0,0|1,0,1]=4 7163 B9R0.38 CC(C)(O)COCCC=O c7cb3421bc2ec557cd4f15470b6b91d9 [0,2,0,0,0,0|1,0,1]=4 7164 B9R0.38 CC(C)(O)COCCCF d0788cbbc6ce3caa960a8bddb3bc4279 [0,2,0,0,0,0|1,0,0]=3 7165 B9R0.38 CC(C)(O)COCCCS 407483009e010ca64b4e0f57e8b02ff3 [0,2,0,0,0,0|1,0,0]=3 7166 B9R0.38 CC(C)(S)CCOCC#N 5ddec7dba2ea952a6f4ce90de220d712 [0,2,0,0,0,0|1,0,1]=4 7167 B9R0.38 CC(C)(S)CCOCC=O 6cf959e0b641ea2b242f039c57d22a61 [0,2,0,0,0,0|0,0,2]=4 7168 B9R0.38 CC(C)(S)CCOCCF 6b1b5b843298d4ceeeb63c3a33670f04 [0,2,0,0,0,0|1,0,0]=3 7169 B9R0.38 CC(C)(S)CCOCCS 9fb5a1c63235b030486a42b941118d60 [0,2,0,0,0,0|0,1,0]=3 7170 B9R0.38 CC(C)(S)COCCCF 128b895ac138591c3f954498f0265b3c [0,2,0,0,0,0|1,1,0]=4 7171 B9R0.38 CC(C)(S)COCCCS 49f2c3dca9954f244278b78e37a70cb9 [0,2,0,0,0,0|1,1,0]=4 7172 B9R0.38 CC(F)(F)CCNCCBr d7a3fbe92b479ab904acec0c98f95d71 [0,2,0,0,0,0|2,0,0]=4 7173 B9R0.38 CC(F)(F)CCNCCF 53cbc3d72c2505915b2b620a8939f0f0 [0,2,0,0,0,0|2,0,0]=4 7174 B9R0.38 CC(F)(F)CCNCCI e05caa3c205eb39152c18f1232cfa849 [0,2,0,0,0,0|2,0,0]=4 7175 B9R0.38 CC(F)(F)CCNCCO 0dcc84ed570f211e4f91b2e6c38e18e1 [0,2,0,0,0,0|1,0,0]=3 7176 B9R0.38 CC(F)(F)CCNCCS de814a45842b93296b28d45dbd2149eb [0,2,0,0,0,0|1,1,0]=4 7177 B9R0.38 CC(F)(F)CCOCC#N db6735b5be409a902bc9e0ce50f5cef8 [0,2,0,0,0,0|1,0,1]=4 7178 B9R0.38 CC(F)(F)CCOCC=O b0355ed785149ec62a7b7944521cc7be [0,2,0,0,0,0|0,0,2]=4 7179 B9R0.38 CC(F)(F)CCOCCF 0441c779d6a6cc765b4f43302a8e302c [0,2,0,0,0,0|1,0,0]=3 7180 B9R0.38 CC(F)(F)CCOCCS 4f7e0d65434939ffc89c1c44b0eec3ae [0,2,0,0,0,0|0,1,0]=3 7181 B9R0.38 CC(F)(F)CNCCCO 5d64aef81d9114174054228af19b3b11 [0,2,0,0,0,0|2,0,0]=4 7182 B9R0.38 CC(F)(F)COCCCF b6ad0a5edace9bbd64e911a038aa0685 [0,2,0,0,0,0|2,0,0]=4 7183 B9R0.38 CC(F)(F)COCCCS bad44999d17595624fe79be9f3edbdae [0,2,0,0,0,0|2,0,0]=4 7184 B9R0.38 CC=CCOCC(C)(C)O 6855e32a48aef0c93c60c1db4c9c8a6f [0,2,0,0,0,0|0,0,2]=4 7185 B9R0.38 CCCCNCC(C)(C)C 77f13bdfda0892812ba72f701f61bc68 [0,2,0,0,0,0|2,0,0]=4 7186 B9R0.38 CCCCNCC(C)(C)F bfef3414997edbf977b9fa964b35af38 [0,2,0,0,0,0|2,0,0]=4 7187 B9R0.38 CCCCNCC(C)(C)O 95fdb2e1bd57622c6c60528ab64a43bc [0,2,0,0,0,0|1,0,0]=3 7188 B9R0.38 CCCCNCC(C)(F)F c4adf92dc5f1c6e9666431514c1facf0 [0,2,0,0,0,0|2,0,0]=4 7189 B9R0.38 CCCCNCC(F)(F)F db50a67881aa3f26ee648408e0992cda [0,2,0,0,0,0|2,0,0]=4 7190 B9R0.38 CCCCNCS(=O)(=O)O 007c1dfa0321cdc0245df468cea7c92e [0,2,0,0,0,0|2,0,0]=4 7191 B9R0.38 CCCCOCC(C)(C)Br 1170824c23be83508769a5a2c7bc4e1b [0,2,0,0,0,0|1,0,0]=3 7192 B9R0.38 CCCCOCC(C)(C)C 2ebd14760beee9328d3e3a99f0d3e22e [0,2,0,0,0,0|1,0,0]=3 7193 B9R0.38 CCCCOCC(C)(C)F c37b970c76cc75e2a2591f561fd11f43 [0,2,0,0,0,0|1,0,0]=3 7194 B9R0.38 CCCCOCC(C)(C)O 6a3687537efafc506d36570c020f8b8d [0,2,0,0,0,0|0,0,0]=2 7195 B9R0.38 CCCCOCC(C)(C)S 6eb434583aea20f7708be81767f96f27 [0,2,0,0,0,0|0,1,0]=3 7196 B9R0.38 CCCCOCC(C)(F)F 8854748ea41eb3f137fe12e99500f874 [0,2,0,0,0,0|1,0,0]=3 7197 B9R0.38 CCCCOCC(F)(F)Br 763c3c029345eb63cc24bcec39553191 [0,2,0,0,0,0|1,0,0]=3 7198 B9R0.38 CCCCOCC(F)(F)Cl 647f9def4b5229d014f63af88449c152 [0,2,0,0,0,0|1,0,0]=3 7199 B9R0.38 CCCCOCC(F)(F)F c5105bbeff563ec7e9b9a0641475b965 [0,2,0,0,0,0|1,0,0]=3 7200 B9R0.38 CCCCOCS(=O)(=O)C ae3cf22c4e1a83e24a16fb57756bdbf6 [0,2,0,0,0,0|1,0,1]=4 7201 B9R0.38 CCCNCCC(C)(C)C 10347335c8e022bcd31830a5f36179cd [0,2,0,0,0,0|2,0,0]=4 7202 B9R0.38 CCCNCCC(C)(C)F 801cecdac99c460948c7ad33e12ff7db [0,2,0,0,0,0|2,0,0]=4 7203 B9R0.38 CCCNCCC(C)(C)O bf4a91f204de8db06066cd5a44328705 [0,2,0,0,0,0|2,0,0]=4 7204 B9R0.38 CCCNCCC(C)(F)F 32d7842f7d9898e7d5e299e81ea2eda7 [0,2,0,0,0,0|2,0,0]=4 7205 B9R0.38 CCCOCCC(C)(C)C 145daa1b3fbd47396d618d24f93a1321 [0,2,0,0,0,0|1,0,0]=3 7206 B9R0.38 CCCOCCC(C)(C)O ca832f1548b8f34b1a7f2f9a13a5c594 [0,2,0,0,0,0|1,0,0]=3 7207 B9R0.38 CCCOCCC(C)(C)S ff4c58c4e6e7d54f3fde370b9905a88e [0,2,0,0,0,0|1,0,0]=3 7208 B9R0.38 CCCOCCC(C)(F)F 9f5cee7610fd73e033ddc437006a0d21 [0,2,0,0,0,0|1,0,0]=3 7209 B9R0.38 CCCOCCC(F)(F)F c173a7cb097c9d920936d8a0ac7f9c93 [0,2,0,0,0,0|2,0,0]=4 7210 B9R0.38 CCCOCCS(=N)(=O)C 6f8be8bab81ecc23adcdd4e7bed06b00 [0,2,0,0,0,0|2,0,0]=4 7211 B9R0.38 CCCOCCS(=O)(=O)C 8c2c38e5ec4da4853c7ce2c0098bf306 [0,2,0,0,0,0|2,0,0]=4 7212 B9R0.38 CCNCCCC(C)(C)O 15499cf28b521c8baad612d0cf53420f [0,2,0,0,0,0|2,0,0]=4 7213 B9R0.38 CCOCNCC(C)(C)O c0f14f970261ceadece14dbc4e4c80db [0,2,0,0,0,0|2,0,0]=4 7214 B9R0.38 CCOCOCC(C)(C)Br 8c42033f175c9b1c42797ef0b9e2ec46 [0,2,0,0,0,0|2,0,0]=4 7215 B9R0.38 CCOCOCC(C)(C)C 42c45821a428934dded15568c7eb7b7c [0,2,0,0,0,0|2,0,0]=4 7216 B9R0.38 CCOCOCC(C)(C)S dac2af2db2ca2aa7f693fc879812c8cf [0,2,0,0,0,0|1,1,0]=4 7217 B9R0.38 COCCNCC(C)(C)O 466163b5afba55e1ac1cd15c252856c0 [0,2,0,0,0,0|2,0,0]=4 7218 B9R0.38 COCCOCC(C)(C)Br b9ca4d9a969106cbfa94e169e440c388 [0,2,0,0,0,0|2,0,0]=4 7219 B9R0.38 COCCOCC(C)(C)C 25cb4ade4f20cab32b0388ce5161f217 [0,2,0,0,0,0|2,0,0]=4 7220 B9R0.38 COCCOCC(C)(C)F 6f82882e035d1ca81bced28b230b9590 [0,2,0,0,0,0|2,0,0]=4 7221 B9R0.38 COCCOCC(C)(C)O 4e5c835a83fc5b147546c179679956a5 [0,2,0,0,0,0|1,0,0]=3 7222 B9R0.38 COCCOCC(C)(C)S 0919f7a5a49e936b8cb4e2b5d880eb48 [0,2,0,0,0,0|1,1,0]=4 7223 B9R0.38 COCCOCC(C)(F)F 0a3c580c860f8e82c42e2abef5aa2e30 [0,2,0,0,0,0|2,0,0]=4 7224 B9R0.38 COCCOCC(F)(F)Br 67daebd84584d47f7dd5487378fcf3e0 [0,2,0,0,0,0|2,0,0]=4 7225 B9R0.38 COCCOCC(F)(F)Cl 211c5addc5ef502d00172dacc391fe12 [0,2,0,0,0,0|2,0,0]=4 7226 B9R0.38 COCCOCC(F)(F)F 0cd23affc4d60e3084b328217e968056 [0,2,0,0,0,0|2,0,0]=4 7227 B9R0.38 COCOCCC(C)(C)C 49970a97105ec2383c9623e0ad26d6f8 [0,2,0,0,0,0|2,0,0]=4 7228 B9R0.38 COCOCCC(C)(C)O 20d6b3eb7f67420735658f2e88855fc7 [0,2,0,0,0,0|2,0,0]=4 7229 B9R0.38 COCOCCC(C)(C)S 18e02f85cee05e1625e00bad2fe7277a [0,2,0,0,0,0|2,0,0]=4 7230 B9R0.38 COCOCCC(C)(F)F 6822a765c7226c8e1825b23cc236957d [0,2,0,0,0,0|2,0,0]=4 7231 B9R0.38 CS(=N)(=O)CCOCCF 03b9e93f24839a024aac98940a81f650 [0,2,0,0,0,0|2,0,0]=4 7232 B9R0.38 CS(=N)(=O)CCOCCS 3c38afea0e18cbb5b86cd6ff86d334dc [0,2,0,0,0,0|1,1,0]=4 7233 B9R0.38 CS(=O)(=O)CCNCCO d557da8faaf6547a47c9b3f1de086d67 [0,2,0,0,0,0|2,0,0]=4 7234 B9R0.38 CS(=O)(=O)CCOCCF ea548ce4fb3bfa726500ad75fe860bd4 [0,2,0,0,0,0|2,0,0]=4 7235 B9R0.38 CS(=O)(=O)CCOCCS bb438101330b7716a14f231d3d8a3128 [0,2,0,0,0,0|1,1,0]=4 7236 B9R0.38 CSCCNCC(C)(C)O 3ff5a0246718ea1cff63a71d31ca1d70 [0,2,0,0,0,0|2,0,0]=4 7237 B9R0.38 CSCCOCC(C)(C)Br a35a162ed895fa00f2bd041ae2b85506 [0,2,0,0,0,0|2,0,0]=4 7238 B9R0.38 CSCCOCC(C)(C)C bf49b2f1e782c05ab6058b986f43327f [0,2,0,0,0,0|2,0,0]=4 7239 B9R0.38 CSCCOCC(C)(C)F bb0c4b0c305997f955f6a96248ee5b41 [0,2,0,0,0,0|2,0,0]=4 7240 B9R0.38 CSCCOCC(C)(C)O 532247e2ccd941dc5fd325f5e30d69a4 [0,2,0,0,0,0|1,0,0]=3 7241 B9R0.38 CSCCOCC(C)(C)S e8eba800cf455eb0cf979b1dcc490f3b [0,2,0,0,0,0|1,1,0]=4 7242 B9R0.38 CSCCOCC(C)(F)F 361a77e55f5f9fa69705c259113552ba [0,2,0,0,0,0|2,0,0]=4 7243 B9R0.38 CSCCOCC(F)(F)Br 8d3c5dade9c741f4c8770a9182e787e2 [0,2,0,0,0,0|2,0,0]=4 7244 B9R0.38 CSCCOCC(F)(F)Cl cc9ebaf66331bc79930993847a2bc59d [0,2,0,0,0,0|2,0,0]=4 7245 B9R0.38 CSCCOCC(F)(F)F 96ba87e1e80b87d958ab5beb67c66c85 [0,2,0,0,0,0|2,0,0]=4 7246 B9R0.38 CSCOCCC(C)(C)C 6e65b6c026f31e9d2452fa6b35849ad8 [0,2,0,0,0,0|2,0,0]=4 7247 B9R0.38 CSCOCCC(C)(C)S 69e6e299ff3fd40428998244bfa95509 [0,2,0,0,0,0|2,0,0]=4 7248 B9R0.38 CSCOCCC(C)(F)F da87830d1c6d373f332abef87173aac8 [0,2,0,0,0,0|2,0,0]=4 7249 B9R0.38 FC(F)(Br)COCCCS 0f0c182337f137237967a83eee43a968 [0,2,0,0,0,0|2,0,0]=4 7250 B9R0.38 FC(F)(Cl)COCCCS 59521cf688d9659f2520ddd38479566a [0,2,0,0,0,0|2,0,0]=4 7251 B9R0.38 FC(F)(F)CCOCCS 7a04356629dbc4ccd494d83385170e2e [0,2,0,0,0,0|1,1,0]=4 7252 B9R0.38 FC(F)(F)COCCCS c25061b632121e59815a7436504181a8 [0,2,0,0,0,0|2,0,0]=4 7253 B9R0.38 FCCCOCC(F)(F)Br 8928b48b400f14443cbb3a6f27c47278 [0,2,0,0,0,0|2,0,0]=4 7254 B9R0.38 FCCCOCC(F)(F)Cl c42ee481f6eae97d53051046ee93225d [0,2,0,0,0,0|2,0,0]=4 7255 B9R0.38 FCCCOCC(F)(F)F 67d88d0eac3a1cd94ee6fbe3ab01f1c3 [0,2,0,0,0,0|2,0,0]=4 7256 B9R0.38 FCCOCCC(F)(F)F c6985eb656754508ab3b09936919a389 [0,2,0,0,0,0|2,0,0]=4 7257 B9R0.38 O=S(=O)(O)COCCCF 2cd5711ff3c7e6c1a9af72599952b132 [0,2,0,0,0,0|2,0,0]=4 7258 B9R0.38 OCCNCCC(F)(F)F 6b498f2fcc920d8451c892ad7e0d209d [0,2,0,0,0,0|2,0,0]=4 7259 B9R0.55 C=C(Br)COCCC(C)C eb57bb67c29ca003cfbfe10e0d6cc658 [0,2,0,0,0,0|1,0,1]=4 7260 B9R0.55 C=C(C)CCNCC(C)O 5ad2e9e1a5c9ea7b0b89317480f5a251 [0,2,0,0,0,0|1,0,1]=4 7261 B9R0.55 C=C(C)CCNC[C@@H](C)O 9d8c1d53de838d5a486c2b6cc129a0b1 [0,2,0,0,0,0|1,0,1]=4 7262 B9R0.55 C=C(C)CCNC[C@H](C)O b836500d37ce2e2e056f45188ca62270 [0,2,0,0,0,0|1,0,1]=4 7263 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,2,0,0,0,0|0,0,2]=4 7264 B9R0.55 C=C(C)CCOCC(C)C ad250d1d2648365b7a9d4d37d3b8ebac [0,2,0,0,0,0|1,0,1]=4 7265 B9R0.55 C=C(C)CCOCC(C)F dfb385884a8d67b76dbde5dc6fcd3346 [0,2,0,0,0,0|1,0,1]=4 7266 B9R0.55 C=C(C)CCOCC(C)S 578fed4954aa8c092a2989944449a2bc [0,2,0,0,0,0|0,1,1]=4 7267 B9R0.55 C=C(C)CCOCC(F)F 832eb30b145dbfb2860dea177ccbd09f [0,2,0,0,0,0|1,0,1]=4 7268 B9R0.55 C=C(C)CCOCS(=O)O ecbb5741a09ee7987ba5c1d0d0de517d [0,2,0,0,0,0|1,0,1]=4 7269 B9R0.55 C=C(C)CCOC[C@@H](C)F 6f41035d36a8a861e4faca241d4bb666 [0,2,0,0,0,0|1,0,1]=4 7270 B9R0.55 C=C(C)CCOC[C@H](C)F 89e3b001f0f0fb7f3f952a33f6471dfa [0,2,0,0,0,0|1,0,1]=4 7271 B9R0.55 C=C(C)COCCC(C)C 18ecd9b546cd72b4cef7ebec434c3dfb [0,2,0,0,0,0|1,0,1]=4 7272 B9R0.55 C=C(Cl)COCCC(C)C f059c2da9c42ad918ad68c2e368224c5 [0,2,0,0,0,0|1,0,1]=4 7273 B9R0.55 C=C(F)COCCC(C)C d1a2858e4daab1776673df42b8ace619 [0,2,0,0,0,0|1,0,1]=4 7274 B9R0.55 C=C(I)COCCC(C)C 2b8f560dfc1e9d856eb0f41151625be8 [0,2,0,0,0,0|1,0,1]=4 7275 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,2,0,0,0,0|1,0,1]=4 7276 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,2,0,0,0,0|1,0,1]=4 7277 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,2,0,0,0,0|1,0,1]=4 7278 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,2,0,0,0,0|0,0,2]=4 7279 B9R0.55 CC(=O)CCOCC(C)C 9ee5575ae874bec3c1972a6d60564d69 [0,2,0,0,0,0|1,0,1]=4 7280 B9R0.55 CC(=O)CCOCC(C)F c746ebaf009979f59ee11e75904265b4 [0,2,0,0,0,0|1,0,1]=4 7281 B9R0.55 CC(=O)CCOCC(C)S 84f9642d3544369c1856724fb718e0a9 [0,2,0,0,0,0|0,1,1]=4 7282 B9R0.55 CC(=O)CCOCC(F)F b2af07f4108d282e63a6f9f4d2bedf01 [0,2,0,0,0,0|1,0,1]=4 7283 B9R0.55 CC(=O)CCOCS(=O)O f6e9010978f00c1cf77b9647abda7b06 [0,2,0,0,0,0|1,0,1]=4 7284 B9R0.55 CC(=O)CCOC[C@@H](C)F c8502d42a16118aee52b1137ce3c8158 [0,2,0,0,0,0|1,0,1]=4 7285 B9R0.55 CC(=O)CCOC[C@H](C)F ce373016b0ed0d862bfa7566abaf2432 [0,2,0,0,0,0|1,0,1]=4 7286 B9R0.55 CC(=O)COCCC(C)C 6db7d2dfcb34356d041afbdf4ad10eaf [0,2,0,0,0,0|0,0,2]=4 7287 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,2,0,0,0,0|1,0,1]=4 7288 B9R0.55 CC(C)CCNCC(C)C 52d575d6d667b4b797b3833732cde36a [0,2,0,0,0,0|2,0,0]=4 7289 B9R0.55 CC(C)CCNCC(C)O ba455eacaabbd4222e5a22a69ff71168 [0,2,0,0,0,0|1,0,0]=3 7290 B9R0.55 CC(C)CCNCC(F)F 60981764c5beed557213e656e69a81cf [0,2,0,0,0,0|2,0,0]=4 7291 B9R0.55 CC(C)CCNC[C@@H](C)O 54be452c6661de04fcd57895270b5eda [0,2,0,0,0,0|1,0,0]=3 7292 B9R0.55 CC(C)CCNC[C@H](C)O e01da230da8a08dd3911d050f5bc3a5c [0,2,0,0,0,0|1,0,0]=3 7293 B9R0.55 CC(C)CCOCC(=O)N a6054c15c949445f04569adc9e755ebb [0,2,0,0,0,0|0,0,2]=4 7294 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,2,0,0,0,0|0,0,1]=3 7295 B9R0.55 CC(C)CCOCC(=S)N 4baa196d903c85bda1fb9837c460a4af [0,2,0,0,0,0|0,1,1]=4 7296 B9R0.55 CC(C)CCOCC(C)C df2f851da0c92b4f597a28662429c366 [0,2,0,0,0,0|1,0,0]=3 7297 B9R0.55 CC(C)CCOCC(C)F 425b3ce88c3d42cff576078a9b6d1988 [0,2,0,0,0,0|1,0,0]=3 7298 B9R0.55 CC(C)CCOCC(C)S 07dfcd3dcd92c4a41ad478face8a5237 [0,2,0,0,0,0|0,1,0]=3 7299 B9R0.55 CC(C)CCOCC(F)F e336477336bd7168151205d66c0270a9 [0,2,0,0,0,0|1,0,0]=3 7300 B9R0.55 CC(C)CCOCN(C)C 88b51f278b15319f6f4d06f27f4e01be [0,2,0,0,0,0|2,0,0]=4 7301 B9R0.55 CC(C)CCOCS(=O)O 86661055fa920a1b3121c7cd1555f374 [0,2,0,0,0,0|1,0,0]=3 7302 B9R0.55 CC(C)CCOC[C@@H](C)F 07a55c61615303fb0beb7a2fc449f5bf [0,2,0,0,0,0|1,0,0]=3 7303 B9R0.55 CC(C)CCOC[C@H](C)F 4538ae067f80e5850fe704945284d82c [0,2,0,0,0,0|1,0,0]=3 7304 B9R0.55 CC(C)CCOC[N+](=O)[O-] e3b5ccf4587084f8cfb2ec665d6a5318 [0,2,0,0,0,0|1,0,1]=4 7305 B9R0.55 CC(C)CNCCC(C)O 1e0db634f9173d1d3f2d70d101e78805 [0,2,0,0,0,0|2,0,0]=4 7306 B9R0.55 CC(C)CNCC[C@@H](C)O 2ea242edb154ea9e362eb4e00fd73b44 [0,2,0,0,0,0|2,0,0]=4 7307 B9R0.55 CC(C)CNCC[C@H](C)O 88ef43e42879c17115f9c87165f1c923 [0,2,0,0,0,0|2,0,0]=4 7308 B9R0.55 CC(C)COCCC(F)F b12e0c3d6e6cb621eee525d59cafa1b4 [0,2,0,0,0,0|2,0,0]=4 7309 B9R0.55 CC(C)COCCN(C)C ffb2a6eef2c4b769a3b5821cc69b50ee [0,2,0,0,0,0|2,0,0]=4 7310 B9R0.55 CC(C)COCCS(=O)C fc864c99de43400e6ba798829cdf7f50 [0,2,0,0,0,0|2,0,0]=4 7311 B9R0.55 CC(C)COCOC(C)C d518e9064b8cb26a5cb3df7d757bc8ff [0,2,0,0,0,0|2,0,0]=4 7312 B9R0.55 CC(C)OCNC[C@@H](C)O 80f824164f732a07247ab04849109631 [0,2,0,0,0,0|2,0,0]=4 7313 B9R0.55 CC(C)OCNC[C@H](C)O 455f65b4904e7d024a3c183852b2b0b7 [0,2,0,0,0,0|2,0,0]=4 7314 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,2,0,0,0,0|1,0,1]=4 7315 B9R0.55 CC(C)OCOCC(F)F 074d42cc232917cee81c0f0e6dd28acb [0,2,0,0,0,0|2,0,0]=4 7316 B9R0.55 CC(C)OCOCS(=O)O fb7571885bae3ecb68bd2897e06c7f33 [0,2,0,0,0,0|2,0,0]=4 7317 B9R0.55 CC(C)OCOC[C@@H](C)F dbf677d2405b3e561eb649710508e3a7 [0,2,0,0,0,0|2,0,0]=4 7318 B9R0.55 CC(C)OCOC[C@H](C)F 0136030c4cf306382e0aecd16a49de4c [0,2,0,0,0,0|2,0,0]=4 7319 B9R0.55 CC(F)COCCN(C)C 46d7ff11db3adc4184320c78202bfbca [0,2,0,0,0,0|2,0,0]=4 7320 B9R0.55 CC(F)COCCS(=O)C e39a01feb47156e69031381737b7342d [0,2,0,0,0,0|2,0,0]=4 7321 B9R0.55 CC(F)COCOC(C)C 2c5a43195e01a9601b49072731d0f448 [0,2,0,0,0,0|2,0,0]=4 7322 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,2,0,0,0,0|1,0,1]=4 7323 B9R0.55 CC(O)CCNCC(C)O a6458a7a56d7bcd3d010a23c8fe256f3 [0,2,0,0,0,0|1,0,0]=3 7324 B9R0.55 CC(O)CCNCC(F)F 2753bc2fa813c5896a27cb8005f61c65 [0,2,0,0,0,0|2,0,0]=4 7325 B9R0.55 CC(O)CCNC[C@@H](C)O 9125021e043750131eea7dd1e503531b [0,2,0,0,0,0|1,0,0]=3 7326 B9R0.55 CC(O)CCNC[C@H](C)O f23d02f84116b8da4626f25bb5aea274 [0,2,0,0,0,0|1,0,0]=3 7327 B9R0.55 CC(O)CNCCC(F)F e499abf27904f4b346ca914b62e165d4 [0,2,0,0,0,0|2,0,0]=4 7328 B9R0.55 CC(O)CNCCN(C)C 239193f5fd0709b04713b8d7bccf9718 [0,2,0,0,0,0|2,0,0]=4 7329 B9R0.55 CC(O)CNCCS(=O)C dae9c38fef793a5143f679ffa92b48ea [0,2,0,0,0,0|2,0,0]=4 7330 B9R0.55 CC(O)CNCC[C@@H](C)O 297ecc9ac74b85be5b4f2e9e6f73e68a [0,2,0,0,0,0|1,0,0]=3 7331 B9R0.55 CC(O)CNCC[C@H](C)O 708e8d885cce762243f909757305cfd4 [0,2,0,0,0,0|1,0,0]=3 7332 B9R0.55 CC(O)CNCOC(C)C ad35607826e93cb883cf11144557b8f9 [0,2,0,0,0,0|2,0,0]=4 7333 B9R0.55 CC(S)COCCN(C)C 4d750fe9088e01be94b9224770fd4100 [0,2,0,0,0,0|1,1,0]=4 7334 B9R0.55 CC(S)COCCS(=O)C 21250b10cb55034db416cc47863f017c [0,2,0,0,0,0|1,1,0]=4 7335 B9R0.55 CC(S)COCOC(C)C c638f927ecfd6313101b987cdc443075 [0,2,0,0,0,0|1,1,0]=4 7336 B9R0.55 CN(C)CCOCC(=O)O 841429c0c14a54a981cd653dba3ce73c [0,2,0,0,0,0|1,0,1]=4 7337 B9R0.55 CN(C)CCOCC(F)F 63f213014cd2aaa4409019645e284254 [0,2,0,0,0,0|2,0,0]=4 7338 B9R0.55 CN(C)CCOCS(=O)O 1a2000344c8479c2928c32c294bf0416 [0,2,0,0,0,0|2,0,0]=4 7339 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [0,2,0,0,0,0|1,0,1]=4 7340 B9R0.55 CS(=O)CCOCC(F)F 64c466f453ca9cee8401bf679f38cfad [0,2,0,0,0,0|2,0,0]=4 7341 B9R0.55 CS(=O)CCOCS(=O)O 35e68ba315787f2d1d9ba7cf9ca62ef1 [0,2,0,0,0,0|2,0,0]=4 7342 B9R0.55 C[C@@H](F)COCCN(C)C aea2919c0ec83f5df6b2fc2c41b2a84b [0,2,0,0,0,0|2,0,0]=4 7343 B9R0.55 C[C@@H](F)COCCS(=O)C 6e90b85e5baf4c1201bc6b4e4124755a [0,2,0,0,0,0|2,0,0]=4 7344 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,2,0,0,0,0|1,0,1]=4 7345 B9R0.55 C[C@@H](O)CCNCC(F)F cf295589dd4c8d536e6b8ee42c8e810c [0,2,0,0,0,0|2,0,0]=4 7346 B9R0.55 C[C@@H](O)CCNC[C@@H](C)O 05433372829d767936120dc866c6fd9a [0,2,0,0,0,0|1,0,0]=3 7347 B9R0.55 C[C@@H](O)CNCCC(F)F adb29ec6e0c0d55403d5e267686533b5 [0,2,0,0,0,0|2,0,0]=4 7348 B9R0.55 C[C@@H](O)CNCCN(C)C 8208920f04bc2abb3eadf9447ec0e3f6 [0,2,0,0,0,0|2,0,0]=4 7349 B9R0.55 C[C@@H](O)CNCCS(=O)C 463bb33a2bfd90c69de25ec1568941b9 [0,2,0,0,0,0|2,0,0]=4 7350 B9R0.55 C[C@H](F)COCCN(C)C 884a32a70ec72d1c677434f23acab83b [0,2,0,0,0,0|2,0,0]=4 7351 B9R0.55 C[C@H](F)COCCS(=O)C e40783211d67611049749ed49c292e2d [0,2,0,0,0,0|2,0,0]=4 7352 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,2,0,0,0,0|1,0,1]=4 7353 B9R0.55 C[C@H](O)CCNCC(F)F 235fe258a1ae5dcbb1819b0232050070 [0,2,0,0,0,0|2,0,0]=4 7354 B9R0.55 C[C@H](O)CCNC[C@@H](C)O 2cd9cd5f675e3fd89e15c40caf6ecab5 [0,2,0,0,0,0|1,0,0]=3 7355 B9R0.55 C[C@H](O)CCNC[C@H](C)O ec14d3ded038ad4d41caddc7bd42b1ab [0,2,0,0,0,0|1,0,0]=3 7356 B9R0.55 C[C@H](O)CNCCC(F)F 95b14c4cdef105bbe40423fd77994d3b [0,2,0,0,0,0|2,0,0]=4 7357 B9R0.55 C[C@H](O)CNCCN(C)C ffa6d3d1b40d30a2eb1cbf46a6a00474 [0,2,0,0,0,0|2,0,0]=4 7358 B9R0.55 C[C@H](O)CNCCS(=O)C bc66dc855190da97945877bf50b60c55 [0,2,0,0,0,0|2,0,0]=4 7359 B9R0.55 C[C@H](O)CNCC[C@@H](C)O a83b9cef4b98b39c5db36346fb8a2f84 [0,2,0,0,0,0|1,0,0]=3 7360 B9R0.55 FC(F)CCOCC(F)F befbb9e471f3eb880e211bbdc196542b [0,2,0,0,0,0|2,0,0]=4 7361 B9R0.55 O=C(O)COCCC(F)F e697405c68cd45ae6bdf74d2e05b079c [0,2,0,0,0,0|1,0,1]=4 7362 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [1,0,0,1,0,0|1,1,0]=4 7363 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [1,0,0,1,0,0|2,0,0]=4 7364 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [1,0,0,1,0,0|2,0,0]=4 7365 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [1,0,0,1,0,0|1,0,0]=3 7366 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [1,0,0,1,0,0|1,0,0]=3 7367 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [1,0,0,1,0,0|2,0,0]=4 7368 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [1,0,0,1,0,0|2,0,0]=4 7369 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [1,0,0,1,0,0|2,0,0]=4 7370 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [1,0,0,1,0,0|2,0,0]=4 7371 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [1,0,0,1,0,0|2,0,0]=4 7372 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [1,0,0,1,0,0|2,0,0]=4 7373 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [1,0,0,1,0,0|2,0,0]=4 7374 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [1,0,0,1,0,0|1,0,0]=3 7375 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [1,0,0,1,0,0|2,0,0]=4 7376 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [1,0,0,1,0,0|0,0,0]=2 7377 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [1,0,0,1,0,0|1,0,0]=3 7378 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [1,0,0,1,0,0|1,0,0]=3 7379 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [1,0,0,1,0,0|2,0,0]=4 7380 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [1,0,0,1,0,0|2,0,0]=4 7381 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [1,0,0,1,0,0|1,0,0]=3 7382 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [1,0,0,1,0,0|2,0,0]=4 7383 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [1,0,0,1,0,0|2,0,0]=4 7384 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [1,0,0,1,0,0|1,0,0]=3 7385 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [1,0,0,1,0,0|1,0,0]=3 7386 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [1,0,0,1,0,0|2,0,0]=4 7387 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [1,0,0,1,0,0|1,1,0]=4 7388 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [1,0,0,1,0,0|2,0,0]=4 7389 B7R1.7 C#CCOC1CC1 5fdc8972237e2849d78e13ef5a1a79ef [1,0,0,1,0,0|1,0,1]=4 7390 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [1,0,0,1,0,0|1,0,1]=4 7391 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [1,0,0,1,0,0|2,0,0]=4 7392 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [1,0,0,1,0,0|1,0,0]=3 7393 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [1,0,0,1,0,0|1,0,0]=3 7394 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [1,0,0,1,0,0|0,0,0]=2 7395 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [1,0,0,1,0,0|2,0,0]=4 7396 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [1,0,0,1,0,0|2,0,0]=4 7397 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [1,0,0,1,0,0|2,0,0]=4 7398 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [1,0,0,1,0,0|1,0,0]=3 7399 B7R1.7 FCNCC1CC1 1cae99c489890b890b87d2c58a6eb8c9 [1,0,0,1,0,0|2,0,0]=4 7400 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [1,0,0,1,0,0|1,0,0]=3 7401 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [1,0,0,1,0,0|2,0,0]=4 7402 B7R1.7 N#CCOC1CC1 d7c2e7fafb0b43edd26a7ce548ab2216 [1,0,0,1,0,0|1,0,1]=4 7403 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [1,0,0,1,0,0|0,0,2]=4 7404 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [1,0,0,1,0,0|1,0,0]=3 7405 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [1,0,0,1,0,0|1,0,0]=3 7406 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [1,0,0,1,0,0|1,1,0]=4 7407 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [1,0,0,1,0,0|0,1,0]=3 7408 B9R1.2 CC1CCCN(C1)CO 26652d230bcc9a1195d63435a97c512d [0,1,0,1,0,0|2,0,0]=4 7409 B9R1.2 CCN1CCCC(C1)O 01dd02e5bf6117a7fa48ae871f4642c4 [0,1,0,1,0,0|2,0,0]=4 7410 B9R1.2 CCN1CCC[C@@H](C1)O d6e6558187b53da928a88c93a11d40fa [0,1,0,1,0,0|2,0,0]=4 7411 B9R1.2 CCN1CCC[C@H](C1)O 9fb116abf81f3b2aa3dfe9efc1670b96 [0,1,0,1,0,0|2,0,0]=4 7412 B9R1.2 C[C@@H]1CCCN(C1)CO 6675ecf83c8b49544e3561e3282b0e83 [0,1,0,1,0,0|2,0,0]=4 7413 B9R1.2 C[C@H]1CCCN(C1)CO 612f7806a77df61f3b60bf95e73ba9e6 [0,1,0,1,0,0|2,0,0]=4 7414 B9R1.2 OCN1CCCC(C1)F c961438756a97ac71c25ac8244d6a7a3 [0,1,0,1,0,0|2,0,0]=4 7415 B9R1.2 OCN1CCCC(C1)O a1a4b503369ffbeead5dbdfde67130ff [0,1,0,1,0,0|2,0,0]=4 7416 B9R1.2 OCN1CCC[C@@H](C1)F 86e2abc91290abd055bfb691fa5f12d9 [0,1,0,1,0,0|2,0,0]=4 7417 B9R1.2 OCN1CCC[C@@H](C1)O 44839fbaefbedf7952c40f3e445b2f37 [0,1,0,1,0,0|2,0,0]=4 7418 B9R1.2 OCN1CCC[C@H](C1)F d473717ba6ccce88f32fe4c5f2bce4c0 [0,1,0,1,0,0|2,0,0]=4 7419 B9R1.2 OCN1CCC[C@H](C1)O 958b5d72e374ab873500994771487a3a [0,1,0,1,0,0|2,0,0]=4 7420 B9R1.7 CC1CCC(C1)NCO 6275625359996316caa25efa13480ea6 [0,1,0,1,0,0|2,0,0]=4 7421 B9R1.7 CC1CCN(C1)CCF 4863c99e2eef7db4fb9d44df7e377656 [0,1,0,1,0,0|2,0,0]=4 7422 B9R1.7 CC1CCN(C1)CCO a37b921eafe2b499d5b68642f869a353 [0,1,0,1,0,0|1,0,0]=3 7423 B9R1.7 CC1CCN(C1)CCS 10106941d20286d31219846a5f8a024d [0,1,0,1,0,0|1,1,0]=4 7424 B9R1.7 CCCN1CCC(C1)C 9e08c4db86fc8bf72aafcb115dd9401b [0,1,0,1,0,0|2,0,0]=4 7425 B9R1.7 CCCN1CCC(C1)F d269b2f2fce6f7ae5e50224107fd6707 [0,1,0,1,0,0|2,0,0]=4 7426 B9R1.7 CCCN1CCC(C1)O eeee4c9ff31547429984de7fec1530e5 [0,1,0,1,0,0|2,0,0]=4 7427 B9R1.7 CCCN1CC[C@@H](C1)F 05e94a0926f5e05d32c7325b10b9201f [0,1,0,1,0,0|2,0,0]=4 7428 B9R1.7 CCCN1CC[C@@H](C1)O addf13435b3a181b9ab32dc2532a69e7 [0,1,0,1,0,0|2,0,0]=4 7429 B9R1.7 CCCN1CC[C@H](C1)F fd5221c0e5a1f7d6841681e0c99d96bf [0,1,0,1,0,0|2,0,0]=4 7430 B9R1.7 CCCN1CC[C@H](C1)O cd6ac3bcff83f25d1af2efddd1475aec [0,1,0,1,0,0|2,0,0]=4 7431 B9R1.7 CCNC1CCC(C1)O 628356fc89e19ef9e05dade55232a5bb [0,1,0,1,0,0|2,0,0]=4 7432 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O 7c8c53e111793be80ad4cc673241d07f [0,1,0,1,0,0|2,0,0]=4 7433 B9R1.7 CCN[C@@H]1CC[C@H](C1)O ff712e2d7c8949b18071ff107f2beb24 [0,1,0,1,0,0|2,0,0]=4 7434 B9R1.7 CCN[C@H]1CC[C@@H](C1)O 2a978cf4fc6aa50fa68ee6171c076414 [0,1,0,1,0,0|2,0,0]=4 7435 B9R1.7 CCN[C@H]1CC[C@H](C1)O 32fb3339fe7260cc6eb8ef4293a46d46 [0,1,0,1,0,0|2,0,0]=4 7436 B9R1.7 CN1CCN(C1)CCO 37b780050d1fe7ed14c088cacb337644 [0,1,0,1,0,0|2,0,0]=4 7437 B9R1.7 FC1CCN(C1)CCS 28185ee53e367902b1bf7f737e5acf0c [0,1,0,1,0,0|1,1,0]=4 7438 B9R1.7 FCCN1CCC(C1)F 532f481955093a1141885230376f8eac [0,1,0,1,0,0|2,0,0]=4 7439 B9R1.7 FCCN1CC[C@@H](C1)F 467730420d904c54d78c785217554379 [0,1,0,1,0,0|2,0,0]=4 7440 B9R1.7 FCCN1CC[C@H](C1)F dc6b83798a35a61b6eeae5cf44d13d4a [0,1,0,1,0,0|2,0,0]=4 7441 B9R1.7 F[C@@H]1CCN(C1)CCS 25aeb6d35a7e21eef969012a09d063b4 [0,1,0,1,0,0|1,1,0]=4 7442 B9R1.7 F[C@H]1CCN(C1)CCS 93740e30147a983ec48394db38fa165b [0,1,0,1,0,0|1,1,0]=4 7443 B9R1.7 OC1CCN(C1)CCF 4ffaf282fe2b1846ff7a38855e62c604 [0,1,0,1,0,0|2,0,0]=4 7444 B9R1.7 OC1CCN(C1)CCS 2c9aa86a936c95a2da0fcfc6aa3d9ee0 [0,1,0,1,0,0|1,1,0]=4 7445 B9R1.7 OCCN1CCC(C1)F 215941f5ef09749d81ccb8ca1094bfc4 [0,1,0,1,0,0|1,0,0]=3 7446 B9R1.7 OCCN1CCC(C1)O 724a10d4add7127ec95ebf59eb27c2a8 [0,1,0,1,0,0|1,0,0]=3 7447 B9R1.7 OCCN1CC[C@@H](C1)F bf11e675c8cc5af79bcdf2f8e9f6239a [0,1,0,1,0,0|1,0,0]=3 7448 B9R1.7 OCCN1CC[C@@H](C1)O d206cfc4d787c489ae20e81524e9b9f9 [0,1,0,1,0,0|1,0,0]=3 7449 B9R1.7 OCCN1CC[C@H](C1)F 7b65b4ef21dfce78beeb9ba5b10b6ad2 [0,1,0,1,0,0|1,0,0]=3 7450 B9R1.7 OCCN1CC[C@H](C1)O 4330ef9b8aa58d2572b93522b7d3a34c [0,1,0,1,0,0|1,0,0]=3 7451 B9R1.7 OCNC1CCC(C1)O 04970dc7cb29984489bac8427620cacc [0,1,0,1,0,0|2,0,0]=4 7452 B9R1.7 OCN[C@@H]1CC[C@@H](C1)O 984af2bfb9c9f9e0d6332b30cf31695a [0,1,0,1,0,0|2,0,0]=4 7453 B9R1.7 OCN[C@@H]1CC[C@H](C1)O afea27a13e818016f99f5a817da8df49 [0,1,0,1,0,0|2,0,0]=4 7454 B9R1.7 OCN[C@H]1CC[C@@H](C1)O 6852199a4fbc26596939c10c772ddf48 [0,1,0,1,0,0|2,0,0]=4 7455 B9R1.7 OCN[C@H]1CC[C@H](C1)O c1179834f3316ea571e0ff7fd5d39d66 [0,1,0,1,0,0|2,0,0]=4 7456 B9R1.7 O[C@@H]1CCN(C1)CCF 6958f49f20c98b47dc8096b5964db9ab [0,1,0,1,0,0|2,0,0]=4 7457 B9R1.7 O[C@@H]1CCN(C1)CCS a4d15014bb6a41f1ee95b77bfd97da88 [0,1,0,1,0,0|1,1,0]=4 7458 B9R1.7 O[C@H]1CCN(C1)CCF 7e40be39f1c88ad9bc148d2424e69fac [0,1,0,1,0,0|2,0,0]=4 7459 B9R1.7 O[C@H]1CCN(C1)CCS 045651bc4e4f7d2da72659218ac78510 [0,1,0,1,0,0|1,1,0]=4 7460 B9R1.8 CCCN1CCCOC1 f24207267ec2bfd6a98a300d3d8157f4 [0,1,0,1,0,0|1,0,0]=3 7461 B9R1.8 CCCN1CCCSC1 fc4ecc758cc6d6867cee0458403a64c8 [0,1,0,1,0,0|1,1,0]=4 7462 B9R1.8 CCCN1CCOCC1 ce923e943381b09f8eaedf8907082db3 [0,1,0,1,0,0|2,0,0]=4 7463 B9R1.8 CCCN1CCSCC1 4159fc6666f36d84ca3e8db8e4c21218 [0,1,0,1,0,0|2,0,0]=4 7464 B9R1.8 CCNC1CCCOC1 44e7a9c60ab74c80ef1160380a9b9fb7 [0,1,0,1,0,0|1,0,0]=3 7465 B9R1.8 CCN[C@@H]1CCCOC1 6c80b60090682b5fd207bb8d7a62fd53 [0,1,0,1,0,0|1,0,0]=3 7466 B9R1.8 CCN[C@H]1CCCOC1 e5738a32ab8207497f49a57ad67aa158 [0,1,0,1,0,0|1,0,0]=3 7467 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,1,0,1,0,0|2,0,0]=4 7468 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [0,1,0,1,0,0|1,0,0]=3 7469 B9R1.8 CCOC1CCCOC1 28e0b80b41504c5ce6342a42ff1482ae [0,1,0,1,0,0|1,0,0]=3 7470 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [0,1,0,1,0,0|1,1,0]=4 7471 B9R1.8 CCO[C@@H]1CCCOC1 e2635ce7ad18ae3f1004b0745c859319 [0,1,0,1,0,0|1,0,0]=3 7472 B9R1.8 CCO[C@H]1CCCOC1 bd7b8624ac6ebefc862948904b1aa0ec [0,1,0,1,0,0|1,0,0]=3 7473 B9R1.8 COCN1CCCOC1 c364dc2d4494ac9786df7b2cf3053834 [0,1,0,1,0,0|2,0,0]=4 7474 B9R1.8 CSCN1CCCOC1 5d666822a598b662553ba42c79846800 [0,1,0,1,0,0|2,0,0]=4 7475 B9R1.8 FCCN1CCCOC1 cdaa695734e1d05f4de904e1f9eb02c3 [0,1,0,1,0,0|2,0,0]=4 7476 B9R1.8 FCCN1CCCSC1 2fa439fc229f0a5c8e065d0839f2975f [0,1,0,1,0,0|2,0,0]=4 7477 B9R1.8 FCCN1CCOCC1 b03bc8c540648ddec45038aa4eff6aca [0,1,0,1,0,0|2,0,0]=4 7478 B9R1.8 FCCN1CCSCC1 49d587c3af522aa7709b9a8e1ff584c5 [0,1,0,1,0,0|2,0,0]=4 7479 B9R1.8 FCNC1CCCOC1 f46187a4b9edf5a33dd858b3408cd5a5 [0,1,0,1,0,0|2,0,0]=4 7480 B9R1.8 FCN[C@@H]1CCCOC1 f1042be1dfa07d78f6bb0111244d5293 [0,1,0,1,0,0|2,0,0]=4 7481 B9R1.8 FCN[C@H]1CCCOC1 9bb8cf9f44abdfdc0d1c6e67254f9e6e [0,1,0,1,0,0|2,0,0]=4 7482 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [0,1,0,1,0,0|2,0,0]=4 7483 B9R1.8 FCOC1CCCCO1 188437cec4861d522453fb2eaf58909a [0,1,0,1,0,0|1,0,0]=3 7484 B9R1.8 FCOC1CCCOC1 cecf144bbbce7aae827e62950965aaeb [0,1,0,1,0,0|2,0,0]=4 7485 B9R1.8 FCO[C@@H]1CCCOC1 35c5c2a9d31bb0abca5942cca8109165 [0,1,0,1,0,0|2,0,0]=4 7486 B9R1.8 FCO[C@H]1CCCOC1 92280d91891bf7567ce57feebf7ca29c [0,1,0,1,0,0|2,0,0]=4 7487 B9R1.8 N#CNC1CCCCO1 3c173c7271f9b9b84907a69d9ad45386 [0,1,0,1,0,0|1,0,1]=4 7488 B9R1.8 OCCN1CC=CCC1 7a44a46b1b0fb045c46a5db87a011f17 [0,1,0,1,0,0|1,0,1]=4 7489 B9R1.8 OCCN1CCCOC1 4ac1af6b96a772d2363a3a7688cf99c1 [0,1,0,1,0,0|1,0,0]=3 7490 B9R1.8 OCCN1CCCSC1 c915cd6e6e346c30a52467eaefc5a6d7 [0,1,0,1,0,0|1,0,0]=3 7491 B9R1.8 OCCN1CCOCC1 bd3b70c8eabe7926e6951762ed00cd39 [0,1,0,1,0,0|1,0,0]=3 7492 B9R1.8 OCCN1CCSCC1 105e4885fcc64634326d88bbbf357395 [0,1,0,1,0,0|1,0,0]=3 7493 B9R1.8 OCNC1C=CCCC1 1877ec9d2ea79131b01ea5cbad981f77 [0,1,0,1,0,0|1,0,1]=4 7494 B9R1.8 OCNC1CCCOC1 1e46b72657889f1bc5f310e94cc9c168 [0,1,0,1,0,0|2,0,0]=4 7495 B9R1.8 OCNC1CCOCC1 0f665587adf9b667221f2fa84d4b9472 [0,1,0,1,0,0|2,0,0]=4 7496 B9R1.8 OCNC1CCSCC1 db5b731037ba4687f84dee5964616de0 [0,1,0,1,0,0|2,0,0]=4 7497 B9R1.8 OCN[C@@H]1CCCOC1 c945eddb3482423f8ee44c5f8e36f316 [0,1,0,1,0,0|2,0,0]=4 7498 B9R1.8 OCN[C@H]1CCCOC1 ce9921cc8ee8caf462b02b7aa2785265 [0,1,0,1,0,0|2,0,0]=4 7499 B9R1.8 SCCN1CCCOC1 893a8d975b9660a4e9697691e49955e0 [0,1,0,1,0,0|1,1,0]=4 7500 B9R1.8 SCCN1CCCSC1 6c0618df3699aef10411023df60f1f52 [0,1,0,1,0,0|1,1,0]=4 7501 B9R1.8 SCCN1CCOCC1 5e483fd2bc45964d9d3c4c3f5fb6b9ed [0,1,0,1,0,0|1,1,0]=4 7502 B9R1.8 SCCN1CCSCC1 513a8ea6c5034ae8855e27b1d304b5b2 [0,1,0,1,0,0|1,1,0]=4 7503 B9R1.9 C#CCOC1CC(C1)C 54f74dd38d317358e8b7f23a8cfb7a4d [0,1,0,1,0,0|1,0,1]=4 7504 B9R1.9 C#CCOC1CC(C1)F 08f88ebae2799c3fe76dcfb99f9fc47e [0,1,0,1,0,0|1,0,1]=4 7505 B9R1.9 C#CCO[C@H]1C[C@@H](C1)F 1fa9088a8eec6da974176cb98f5aa2e8 [0,1,0,1,0,0|1,0,1]=4 7506 B9R1.9 C#CCO[C@H]1C[C@H](C1)F e4ca2e89f2b7e4c402eed2049785e532 [0,1,0,1,0,0|1,0,1]=4 7507 B9R1.9 C=CCOC1CC(C1)C b3d57b7f4ff05f28889c77392a995c98 [0,1,0,1,0,0|1,0,1]=4 7508 B9R1.9 C=CCOC1CC(C1)F d35e60ae0165ec1cc3bc44c26309d142 [0,1,0,1,0,0|1,0,1]=4 7509 B9R1.9 C=CCO[C@H]1C[C@@H](C1)F 14e66f7976f502d0564ec690ba0bc512 [0,1,0,1,0,0|1,0,1]=4 7510 B9R1.9 C=CCO[C@H]1C[C@H](C1)F c408beca20a3ffcb0360f6c479e2270c [0,1,0,1,0,0|1,0,1]=4 7511 B9R1.9 CC1CC(C1)OCC#N 87dfb786e1a69d7ef84b15cb9780870c [0,1,0,1,0,0|1,0,1]=4 7512 B9R1.9 CC1CC(C1)OCC=O 0d59e4bb94b77ec144f5dd7165775259 [0,1,0,1,0,0|0,0,2]=4 7513 B9R1.9 CC1CC(C1)OCCF 2c88f2ff8d9dc6e0889d43ef39d09fd2 [0,1,0,1,0,0|1,0,0]=3 7514 B9R1.9 CC1CC(C1)OCCS b29286d5a8f5d90bda47a031aee001e8 [0,1,0,1,0,0|0,1,0]=3 7515 B9R1.9 CCCCN1CC(C1)F 54db98beb7bd982ef2f771ed6da8d338 [0,1,0,1,0,0|2,0,0]=4 7516 B9R1.9 CCCCN1CC(C1)O 215f48acc2fc8815cb399aeef9253be6 [0,1,0,1,0,0|1,0,0]=3 7517 B9R1.9 CCCNC1CC(C1)F d459118013979350f5ce365fd9e399fe [0,1,0,1,0,0|2,0,0]=4 7518 B9R1.9 CCCNC1CC(C1)O 26e1fd9c3b290fcf8d9c8003bb64617c [0,1,0,1,0,0|2,0,0]=4 7519 B9R1.9 CCCN[C@H]1C[C@@H](C1)F 23d8436bff5610bbbba80fc862da36a0 [0,1,0,1,0,0|2,0,0]=4 7520 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 639816bbd8c9f695a6b595dff2c974d9 [0,1,0,1,0,0|2,0,0]=4 7521 B9R1.9 CCCN[C@H]1C[C@H](C1)F 00f710828a4e341508756262c5c99fb0 [0,1,0,1,0,0|2,0,0]=4 7522 B9R1.9 CCCN[C@H]1C[C@H](C1)O 101ec41146bb3047972c082236077d26 [0,1,0,1,0,0|2,0,0]=4 7523 B9R1.9 CCCOC1CC(=O)C1 cb8b05388c0c6b6c847ea07bd6f740db [0,1,0,1,0,0|1,0,1]=4 7524 B9R1.9 CCCOC1CC(C1)C 45cca4ac9b058ecc0d4bdc684dd2136b [0,1,0,1,0,0|1,0,0]=3 7525 B9R1.9 CCCOC1CC(C1)F df50f7399e835d479991eb7724ac0c10 [0,1,0,1,0,0|1,0,0]=3 7526 B9R1.9 CCCOC1CN(C1)C 79ef2e901cabdf513e6340a40beb0e24 [0,1,0,1,0,0|2,0,0]=4 7527 B9R1.9 CCCO[C@H]1C[C@@H](C1)F 09400432e769f851a5066765b0732d99 [0,1,0,1,0,0|1,0,0]=3 7528 B9R1.9 CCCO[C@H]1C[C@H](C1)F 5f27ff9879567f632332154d5f05bbc4 [0,1,0,1,0,0|1,0,0]=3 7529 B9R1.9 CCNCC1CC(C1)O dc9ad7126206f0d70aa4ac14602a03c6 [0,1,0,1,0,0|2,0,0]=4 7530 B9R1.9 CCNC[C@H]1C[C@@H](C1)O a5fe02917c0cdc9924255dc28d603196 [0,1,0,1,0,0|2,0,0]=4 7531 B9R1.9 CCNC[C@H]1C[C@H](C1)O 360d1bc8688ca550e8982ca6ba80f785 [0,1,0,1,0,0|2,0,0]=4 7532 B9R1.9 CCOCN1CC(C1)O 7e5eed0308c791c387dd52497e73a73e [0,1,0,1,0,0|2,0,0]=4 7533 B9R1.9 CN1CC(C1)NCCO a5266febb277f7d2df3012ef82bf39c3 [0,1,0,1,0,0|2,0,0]=4 7534 B9R1.9 CN1CC(C1)OCCF d29199328bd8895668bf90e72222ff80 [0,1,0,1,0,0|2,0,0]=4 7535 B9R1.9 CN1CC(C1)OCCS 7c09d79af437777de4fd04f97e132fa9 [0,1,0,1,0,0|1,1,0]=4 7536 B9R1.9 COCCN1CC(C1)O 115685cec77f043daaffa90ef81a5cfe [0,1,0,1,0,0|2,0,0]=4 7537 B9R1.9 COCOC1CC(C1)C ee3c7157c2014bca436f775075997e64 [0,1,0,1,0,0|2,0,0]=4 7538 B9R1.9 COCOC1CC(C1)F 0562237e6d599a8e0fb9e9e50baf017a [0,1,0,1,0,0|2,0,0]=4 7539 B9R1.9 COCO[C@H]1C[C@@H](C1)F 8b2326505f52049780b5613c83327549 [0,1,0,1,0,0|2,0,0]=4 7540 B9R1.9 COCO[C@H]1C[C@H](C1)F 0666c94e790b9fea7313bd1231af8c70 [0,1,0,1,0,0|2,0,0]=4 7541 B9R1.9 CSCCN1CC(C1)O 71348607191518ba84bf048441ad77bc [0,1,0,1,0,0|2,0,0]=4 7542 B9R1.9 CSCOC1CC(C1)C f3af707646f6db289153706076210467 [0,1,0,1,0,0|2,0,0]=4 7543 B9R1.9 CSCOC1CC(C1)F 25b4c2e6cd4503fbb57c75131d622a4c [0,1,0,1,0,0|2,0,0]=4 7544 B9R1.9 CSCO[C@H]1C[C@@H](C1)F 02b68f5d05d7b226399939350d70ab11 [0,1,0,1,0,0|2,0,0]=4 7545 B9R1.9 CSCO[C@H]1C[C@H](C1)F 5c1a60028b1a94d9b68958bc2d9a6554 [0,1,0,1,0,0|2,0,0]=4 7546 B9R1.9 FC1CC(C1)NCCS f91576cf5d340a86e84466ae5ad74902 [0,1,0,1,0,0|1,1,0]=4 7547 B9R1.9 FC1CC(C1)OCCS 839df24dd2179b3ba68c4dda2e3e39f9 [0,1,0,1,0,0|0,1,0]=3 7548 B9R1.9 FCCNC1CC(C1)F 4133e0bd595a1c34bb8763274dddb94f [0,1,0,1,0,0|2,0,0]=4 7549 B9R1.9 FCCN[C@H]1C[C@@H](C1)F 301d7c05ad0aab6c49f096e942c9cffa [0,1,0,1,0,0|2,0,0]=4 7550 B9R1.9 FCCN[C@H]1C[C@H](C1)F 9a336be89fe13c68b6632f981a88f1b3 [0,1,0,1,0,0|2,0,0]=4 7551 B9R1.9 FCCOC1CC(C1)F e3eb6f4cff9e9c542c2481d6505e8981 [0,1,0,1,0,0|1,0,0]=3 7552 B9R1.9 FCCO[C@H]1C[C@@H](C1)F a758dcf2b8ce10e82f3dd627c2fef689 [0,1,0,1,0,0|1,0,0]=3 7553 B9R1.9 FCCO[C@H]1C[C@H](C1)F 0b4a18a3f5abd56cd922272d63f9be02 [0,1,0,1,0,0|1,0,0]=3 7554 B9R1.9 F[C@H]1C[C@@H](C1)NCCS 94af6c96a506249593dc4fbe6b5e0452 [0,1,0,1,0,0|1,1,0]=4 7555 B9R1.9 F[C@H]1C[C@@H](C1)OCCS 78b2a8681d3d1b86e028ee3abe8a8400 [0,1,0,1,0,0|0,1,0]=3 7556 B9R1.9 F[C@H]1C[C@H](C1)NCCS e873c90489fb9a35f1fba6c3a17e0d49 [0,1,0,1,0,0|1,1,0]=4 7557 B9R1.9 F[C@H]1C[C@H](C1)OCCS effdca4a6bd2e17efc594238d152bc38 [0,1,0,1,0,0|0,1,0]=3 7558 B9R1.9 N#CCOC1CC(C1)F f1a521d57ba7867d8a4c320d49073d6e [0,1,0,1,0,0|1,0,1]=4 7559 B9R1.9 N#CCO[C@H]1C[C@@H](C1)F b35139e36527e5302c680a0423e72633 [0,1,0,1,0,0|1,0,1]=4 7560 B9R1.9 N#CCO[C@H]1C[C@H](C1)F 2e0f27d46bb6cbf2a7748215ac08b042 [0,1,0,1,0,0|1,0,1]=4 7561 B9R1.9 O=C1CC(C1)NCCO d34b558d58ee7ed4205d86ea2fc98ca9 [0,1,0,1,0,0|1,0,1]=4 7562 B9R1.9 O=C1CC(C1)OCCF 4aeea742a38f8f9b865774b021b74956 [0,1,0,1,0,0|1,0,1]=4 7563 B9R1.9 O=C1CC(C1)OCCS d717ffd00e0e75dabfa2c47876548796 [0,1,0,1,0,0|0,1,1]=4 7564 B9R1.9 O=CCOC1CC(C1)F 315ce5aac7154fe9575e29414714dc14 [0,1,0,1,0,0|0,0,2]=4 7565 B9R1.9 O=CCO[C@H]1C[C@@H](C1)F 3fbc260574951966297c602401c661f0 [0,1,0,1,0,0|0,0,2]=4 7566 B9R1.9 O=CCO[C@H]1C[C@H](C1)F c315354142d9aa477691b397a1888b0d [0,1,0,1,0,0|0,0,2]=4 7567 B9R1.9 OC1CC(C1)NCCBr 76ead0c0c005682e60fa45384ebd264b [0,1,0,1,0,0|2,0,0]=4 7568 B9R1.9 OC1CC(C1)NCCF a4d1028faeb6d5e916efabe400eff008 [0,1,0,1,0,0|2,0,0]=4 7569 B9R1.9 OC1CC(C1)NCCI 7e86293b66dc2e5d014d8932292e11d5 [0,1,0,1,0,0|2,0,0]=4 7570 B9R1.9 OC1CC(C1)NCCS 0336e6ab0269b4e389bafe0adb06c50d [0,1,0,1,0,0|1,1,0]=4 7571 B9R1.9 OC1CN(C1)CCCF 67da2a3b838b52f65c7bc3feb79c26d5 [0,1,0,1,0,0|2,0,0]=4 7572 B9R1.9 OC1CN(C1)CCCS 0d59b24ebc534f21bbc1d84e05e9b235 [0,1,0,1,0,0|2,0,0]=4 7573 B9R1.9 OCCCN1CC(C1)F b6acff6032ae3fa09bc4873c559185c6 [0,1,0,1,0,0|2,0,0]=4 7574 B9R1.9 OCCCN1CC(C1)O 45a6a9d3f7e306402d3a468a065754c4 [0,1,0,1,0,0|2,0,0]=4 7575 B9R1.9 OCCNC1CC(C1)F e0ee811597665a65b1312958d14899a9 [0,1,0,1,0,0|1,0,0]=3 7576 B9R1.9 OCCNC1CC(C1)O 429a5f4717bf204711a95af263792161 [0,1,0,1,0,0|1,0,0]=3 7577 B9R1.9 OCCN[C@H]1C[C@@H](C1)F 81552443d25ee5a308d2d5afc2b72dd6 [0,1,0,1,0,0|1,0,0]=3 7578 B9R1.9 OCCN[C@H]1C[C@@H](C1)O 29f98393b73e17b04e3e4279f3ab1847 [0,1,0,1,0,0|1,0,0]=3 7579 B9R1.9 OCCN[C@H]1C[C@H](C1)F d223f5f54d3b73a7f1174a5f8315328f [0,1,0,1,0,0|1,0,0]=3 7580 B9R1.9 OCCN[C@H]1C[C@H](C1)O 6c51bf94dcdf513d5209f4ffda58100b [0,1,0,1,0,0|1,0,0]=3 7581 B9R1.9 OCNCC1CC(C1)O e5b3360743a0c224d97971a4d0046e2c [0,1,0,1,0,0|2,0,0]=4 7582 B9R1.9 OCNC[C@H]1C[C@@H](C1)O 6058b003877c9ca0677f58c7c2b3c152 [0,1,0,1,0,0|2,0,0]=4 7583 B9R1.9 OCNC[C@H]1C[C@H](C1)O b2e677662c4c205fa5dbebeb2c7813ea [0,1,0,1,0,0|2,0,0]=4 7584 B9R1.9 O[C@H]1C[C@@H](C1)NCCF 396475a9b8d757115eb32ff121f14fdf [0,1,0,1,0,0|2,0,0]=4 7585 B9R1.9 O[C@H]1C[C@@H](C1)NCCS 8626bb74e71da71eaae49e57984e726b [0,1,0,1,0,0|1,1,0]=4 7586 B9R1.9 O[C@H]1C[C@H](C1)NCCF 9cb7485149fd6df3dd46e80ae83e514f [0,1,0,1,0,0|2,0,0]=4 7587 B9R1.9 O[C@H]1C[C@H](C1)NCCS 1f34d34bad3ba60ba1ad97e187d4c0d6 [0,1,0,1,0,0|1,1,0]=4 7588 B9R1.12 BrCCNC1CCCC1 c6c521b2ce9b0d6d3447aa138bc49678 [0,1,0,1,0,0|2,0,0]=4 7589 B9R1.12 BrCCNC1CCOC1 49d94a0a9945c5523dffaa5810125557 [0,1,0,1,0,0|2,0,0]=4 7590 B9R1.12 BrCCN[C@@H]1CCOC1 51e88f1791ad860ee61c12812132a376 [0,1,0,1,0,0|2,0,0]=4 7591 B9R1.12 BrCCN[C@H]1CCOC1 724d40e3004db104509a5d1d9c37c2b9 [0,1,0,1,0,0|2,0,0]=4 7592 B9R1.12 C#CCOC1CCCC1 8722ca3512977b1a522adee489822a80 [0,1,0,1,0,0|1,0,1]=4 7593 B9R1.12 C#CCOC1CCCO1 71fd54116b01ef0e4a05db8c9e68f21f [0,1,0,1,0,0|1,0,1]=4 7594 B9R1.12 C#CCOC1CCOC1 51b422e3978106af5d516a7ae4e64225 [0,1,0,1,0,0|1,0,1]=4 7595 B9R1.12 C#CCOC1CCSC1 2aa5638ae43645e56535fb11277fe3fe [0,1,0,1,0,0|1,0,1]=4 7596 B9R1.12 C#CCO[C@@H]1CCOC1 84f39d7ce88fd1f16207f78aa35b8932 [0,1,0,1,0,0|1,0,1]=4 7597 B9R1.12 C#CCO[C@@H]1CCSC1 cb2491d6924f273f8351f7eceef0ba69 [0,1,0,1,0,0|1,0,1]=4 7598 B9R1.12 C#CCO[C@H]1CCOC1 bf331f5a112eed01eebd24bc808369e0 [0,1,0,1,0,0|1,0,1]=4 7599 B9R1.12 C#CCO[C@H]1CCSC1 24406dd7bbb827a511d9a08c73bab70e [0,1,0,1,0,0|1,0,1]=4 7600 B9R1.12 C=CCOC1CCCC1 22f7677a5a2db535f14966e96785d78f [0,1,0,1,0,0|1,0,1]=4 7601 B9R1.12 C=CCOC1CCCO1 07dc06b14814543ad8fc1e6830b8ad31 [0,1,0,1,0,0|1,0,1]=4 7602 B9R1.12 C=CCOC1CCOC1 f7dcb259ebd712ed1d20050b5ae42528 [0,1,0,1,0,0|1,0,1]=4 7603 B9R1.12 C=CCOC1CCSC1 91499e92622fab1e7f2c5e46ab4d9b5c [0,1,0,1,0,0|1,0,1]=4 7604 B9R1.12 C=CCO[C@@H]1CCOC1 1c87c5212babdae70db54e2b4f5cebba [0,1,0,1,0,0|1,0,1]=4 7605 B9R1.12 C=CCO[C@@H]1CCSC1 c475f04d972d75c445b64dea1f91dbe8 [0,1,0,1,0,0|1,0,1]=4 7606 B9R1.12 C=CCO[C@H]1CCOC1 6ac41eef9f664c640abe61f0570c0c4d [0,1,0,1,0,0|1,0,1]=4 7607 B9R1.12 C=CCO[C@H]1CCSC1 3a48bba6ccea0d1c14e655596734cc66 [0,1,0,1,0,0|1,0,1]=4 7608 B9R1.12 CCCCN1CCSC1 eb973459745f14d3b9e84a65caeb4d73 [0,1,0,1,0,0|1,1,0]=4 7609 B9R1.12 CCCNC1CCCC1 6c561cdfdd3ce17ce90e8fda71317d57 [0,1,0,1,0,0|2,0,0]=4 7610 B9R1.12 CCCNC1CCOC1 8aa4794435ee80b6e90e022aed381d39 [0,1,0,1,0,0|2,0,0]=4 7611 B9R1.12 CCCNC1CCSC1 023898adfd5e887d7d4eb31ae8590a2f [0,1,0,1,0,0|2,0,0]=4 7612 B9R1.12 CCCN[C@@H]1CCOC1 8731fe7bb7ba2b0f318f1146b2eb04ff [0,1,0,1,0,0|2,0,0]=4 7613 B9R1.12 CCCN[C@H]1CCOC1 5f78ec583f0541e99fcedcac0aab945c [0,1,0,1,0,0|2,0,0]=4 7614 B9R1.12 CCCOC1C=CCC1 c828ce14c6c0406fcb0a810d3d8e329e [0,1,0,1,0,0|1,0,1]=4 7615 B9R1.12 CCCOC1CC=CC1 285ed002ac68ed1b1a9e755794aa3e39 [0,1,0,1,0,0|1,0,1]=4 7616 B9R1.12 CCCOC1CCCC1 8b31bdd2ae6636509668964f17d3af12 [0,1,0,1,0,0|1,0,0]=3 7617 B9R1.12 CCCOC1CCCO1 4e4ce5597ea66ad501ec25fa53d020dd [0,1,0,1,0,0|1,0,0]=3 7618 B9R1.12 CCCOC1CCOC1 8cbb45f98e2fad4f08813db013294a6a [0,1,0,1,0,0|1,0,0]=3 7619 B9R1.12 CCCOC1CCSC1 fc9e487eb825d14f235b876c3bbdabe1 [0,1,0,1,0,0|1,0,0]=3 7620 B9R1.12 CCCO[C@@H]1CCOC1 0ced0c25035c746f7789ae5343f851de [0,1,0,1,0,0|1,0,0]=3 7621 B9R1.12 CCCO[C@@H]1CCSC1 857d38deec95d71a6c13b08d35a3e44d [0,1,0,1,0,0|1,0,0]=3 7622 B9R1.12 CCCO[C@H]1CCOC1 1602edfc26983fb15df3b9be5c904156 [0,1,0,1,0,0|1,0,0]=3 7623 B9R1.12 CCCO[C@H]1CCSC1 04bf48acf94ce8449471813ae1bee855 [0,1,0,1,0,0|1,0,0]=3 7624 B9R1.12 CCNCC1CCCC1 5a3ad05440161202bff87c340c2ae6eb [0,1,0,1,0,0|2,0,0]=4 7625 B9R1.12 CCNCC1CCCO1 0d10918d6022ab0ba029f9bc507ef0d5 [0,1,0,1,0,0|1,0,0]=3 7626 B9R1.12 CCNCC1CCOC1 6d12a38928caf06de03d6ba41184df23 [0,1,0,1,0,0|2,0,0]=4 7627 B9R1.12 CCNC[C@@H]1CCCO1 b1829889cbf982f3fcb1bb0335d251c8 [0,1,0,1,0,0|1,0,0]=3 7628 B9R1.12 CCNC[C@@H]1CCOC1 40248396918497bc57b744b3d8e84c74 [0,1,0,1,0,0|2,0,0]=4 7629 B9R1.12 CCNC[C@H]1CCCO1 5696667f73ca7c93f1dd7a4fdf14dc92 [0,1,0,1,0,0|1,0,0]=3 7630 B9R1.12 CCNC[C@H]1CCOC1 baba2e16764a3a1555b4742a47a27539 [0,1,0,1,0,0|2,0,0]=4 7631 B9R1.12 CCOCC1CCCC1 78dfb99153363e6ae71186392081c4c4 [0,1,0,1,0,0|2,0,0]=4 7632 B9R1.12 CCOCC1CCCO1 2054eb6e81b646f33dc6d98216be64f2 [0,1,0,1,0,0|1,0,0]=3 7633 B9R1.12 CCOCC1CCCS1 fda5a0c4a41f4031af715e57eedde033 [0,1,0,1,0,0|1,1,0]=4 7634 B9R1.12 CCOCC1CCOC1 081b8a302e395d21423b992decfc7864 [0,1,0,1,0,0|2,0,0]=4 7635 B9R1.12 CCOCN1CCCC1 10706d052d0b8a1bdaf6406298dca6b2 [0,1,0,1,0,0|2,0,0]=4 7636 B9R1.12 CCOC[C@@H]1CCCO1 a2ec9082c3cefa87960b2eb598c83c97 [0,1,0,1,0,0|1,0,0]=3 7637 B9R1.12 CCOC[C@@H]1CCOC1 110af67d4a3e1691dca41b1082ecc779 [0,1,0,1,0,0|2,0,0]=4 7638 B9R1.12 CCOC[C@H]1CCCO1 2cdc5ffd4542ac26ce370875427cfda2 [0,1,0,1,0,0|1,0,0]=3 7639 B9R1.12 CCOC[C@H]1CCOC1 324f1ca870799e717de7b33cf11a0c3d [0,1,0,1,0,0|2,0,0]=4 7640 B9R1.12 COCCN1CCSC1 fbc120bdb7f0a7288cad0bc1815f3fcd [0,1,0,1,0,0|2,0,0]=4 7641 B9R1.12 COCNC1CCCC1 69ef5e2fdd70a2f2bb46ba3386c41e11 [0,1,0,1,0,0|2,0,0]=4 7642 B9R1.12 COCOC1CCCC1 2943e1e93dd873c7391396ec9633419e [0,1,0,1,0,0|2,0,0]=4 7643 B9R1.12 COCOC1CCCO1 20e6e3930a8f26f1a2205045bfbc4b80 [0,1,0,1,0,0|2,0,0]=4 7644 B9R1.12 COCOC1CCOC1 e9d9a10254a6baa4781ce926e79d8b93 [0,1,0,1,0,0|2,0,0]=4 7645 B9R1.12 COCOC1CCSC1 68275d2dbe8be17733396f3053c214ec [0,1,0,1,0,0|2,0,0]=4 7646 B9R1.12 COCO[C@@H]1CCOC1 3c0f58aab96615857d8e136b865ed1f3 [0,1,0,1,0,0|2,0,0]=4 7647 B9R1.12 COCO[C@@H]1CCSC1 7d53f49d684a9180b1c33386777891ac [0,1,0,1,0,0|2,0,0]=4 7648 B9R1.12 COCO[C@H]1CCOC1 8133d4d67e253e16186a29454db02d6c [0,1,0,1,0,0|2,0,0]=4 7649 B9R1.12 COCO[C@H]1CCSC1 2e4e1272ce572991723ec546fb5b52a9 [0,1,0,1,0,0|2,0,0]=4 7650 B9R1.12 CSCOC1CCCC1 4d4f03fa523a880c781e82e000450363 [0,1,0,1,0,0|2,0,0]=4 7651 B9R1.12 CSCOC1CCCO1 821393188cd42b944a93875485042f3d [0,1,0,1,0,0|2,0,0]=4 7652 B9R1.12 CSCOC1CCOC1 523c5964255b20331442401d08b74d78 [0,1,0,1,0,0|2,0,0]=4 7653 B9R1.12 CSCOC1CCSC1 bcb85737cc5aaa6113d0a31bd110800e [0,1,0,1,0,0|2,0,0]=4 7654 B9R1.12 CSCO[C@@H]1CCOC1 71bd07547b11da590959ab5ae26b7e05 [0,1,0,1,0,0|2,0,0]=4 7655 B9R1.12 CSCO[C@@H]1CCSC1 8b12cf96f1f1b752543e5061d9b736d5 [0,1,0,1,0,0|2,0,0]=4 7656 B9R1.12 CSCO[C@H]1CCOC1 3ff7af1a3dbefdaa8a422af5c7d18b8a [0,1,0,1,0,0|2,0,0]=4 7657 B9R1.12 CSCO[C@H]1CCSC1 af058d9a184a89e30fa8410ac05105b6 [0,1,0,1,0,0|2,0,0]=4 7658 B9R1.12 FCCNC1CCCC1 eaad322a8d099d7489668f25d58860c1 [0,1,0,1,0,0|2,0,0]=4 7659 B9R1.12 FCCNC1CCOC1 28d3fee086d05056648a3167bf2928b0 [0,1,0,1,0,0|2,0,0]=4 7660 B9R1.12 FCCNC1CCSC1 fca45c5c97413fa5f540cc2ecefcc99c [0,1,0,1,0,0|2,0,0]=4 7661 B9R1.12 FCCN[C@@H]1CCOC1 142689130eb6b5a14707ea59e237e49a [0,1,0,1,0,0|2,0,0]=4 7662 B9R1.12 FCCN[C@H]1CCOC1 99981184562df9a96f7156800bc75a1a [0,1,0,1,0,0|2,0,0]=4 7663 B9R1.12 FCCOC1C=CCC1 cbc2e8ffa027bf1f463d41314a949221 [0,1,0,1,0,0|1,0,1]=4 7664 B9R1.12 FCCOC1CC=CC1 daafbc932743680339fdd52037e048cb [0,1,0,1,0,0|1,0,1]=4 7665 B9R1.12 FCCOC1CCCC1 b4ff08bedab1a43d91a75b49048b20b0 [0,1,0,1,0,0|1,0,0]=3 7666 B9R1.12 FCCOC1CCCO1 68089a96fc2763d6f90ba264b52bfdb0 [0,1,0,1,0,0|1,0,0]=3 7667 B9R1.12 FCCOC1CCOC1 8226ef62e780e2848ff1001af75efe32 [0,1,0,1,0,0|1,0,0]=3 7668 B9R1.12 FCCOC1CCSC1 630c15e77520505e31017002292d16d8 [0,1,0,1,0,0|1,0,0]=3 7669 B9R1.12 FCCO[C@@H]1CCOC1 97356b60405b376ab9cfd5b7cefcc310 [0,1,0,1,0,0|1,0,0]=3 7670 B9R1.12 FCCO[C@@H]1CCSC1 08b0ddd83ef2ffa9acad590a98b42bda [0,1,0,1,0,0|1,0,0]=3 7671 B9R1.12 FCCO[C@H]1CCOC1 fb10116a0bffd5cecb6c48c23693415c [0,1,0,1,0,0|1,0,0]=3 7672 B9R1.12 FCCO[C@H]1CCSC1 24d573dbeed11db6ffaeb7b8fe4cd838 [0,1,0,1,0,0|1,0,0]=3 7673 B9R1.12 FCNCC1CCCC1 9277e70e00c6b640519328c5935762a1 [0,1,0,1,0,0|2,0,0]=4 7674 B9R1.12 FCNCC1CCCO1 665c9adebd19ef617d641f3c589abe88 [0,1,0,1,0,0|2,0,0]=4 7675 B9R1.12 FCNC[C@@H]1CCCO1 809275c33906a737f7ac2333e68726e9 [0,1,0,1,0,0|2,0,0]=4 7676 B9R1.12 FCNC[C@H]1CCCO1 2273dc9fe4fc65ee4398b187540ff460 [0,1,0,1,0,0|2,0,0]=4 7677 B9R1.12 FCOCC1CCCC1 adc3b963cccb9f54cfa066ef371e1987 [0,1,0,1,0,0|2,0,0]=4 7678 B9R1.12 FCOCC1CCCO1 3da5144201bb64495a12aa51835dee04 [0,1,0,1,0,0|2,0,0]=4 7679 B9R1.12 FCOCN1CCCC1 90a4e65a9314c8d846670a8ac88fc351 [0,1,0,1,0,0|2,0,0]=4 7680 B9R1.12 FCOC[C@@H]1CCCO1 008ba7c0caf0f25668fb12124f9e8a74 [0,1,0,1,0,0|2,0,0]=4 7681 B9R1.12 FCOC[C@H]1CCCO1 853f0b635f936733b4ad9f22b8c231e9 [0,1,0,1,0,0|2,0,0]=4 7682 B9R1.12 ICCNC1CCCC1 19ea301c24e23b4e61e0ae848fc57619 [0,1,0,1,0,0|2,0,0]=4 7683 B9R1.12 ICCNC1CCOC1 242bc5ec599ac8f8ce83263a70184ae5 [0,1,0,1,0,0|2,0,0]=4 7684 B9R1.12 ICCN[C@@H]1CCOC1 f37987ba283f9ddaf70f500b76a7ac5d [0,1,0,1,0,0|2,0,0]=4 7685 B9R1.12 ICCN[C@H]1CCOC1 dc12b17cc3300d035f2c6ff97737ca46 [0,1,0,1,0,0|2,0,0]=4 7686 B9R1.12 N#CCOC1CCCC1 597d114ba6fc77410ee8043a322c52e4 [0,1,0,1,0,0|1,0,1]=4 7687 B9R1.12 N#CCOC1CCCO1 2ebcb5039fc8ee710e32a9aecb9b5095 [0,1,0,1,0,0|1,0,1]=4 7688 B9R1.12 N#CCOC1CCOC1 6df48cc8a21543527e1e68b7f0e290a2 [0,1,0,1,0,0|1,0,1]=4 7689 B9R1.12 N#CCOC1CCSC1 967ad26f08f74c34bc80157114a82340 [0,1,0,1,0,0|1,0,1]=4 7690 B9R1.12 N#CCO[C@@H]1CCOC1 b435ad7eba2ac190c7b5022cda7a6ea8 [0,1,0,1,0,0|1,0,1]=4 7691 B9R1.12 N#CCO[C@@H]1CCSC1 78a1bc8a4cf3f22c2ec797ea5437ad4f [0,1,0,1,0,0|1,0,1]=4 7692 B9R1.12 N#CCO[C@H]1CCOC1 dff8d49d05325325488cb15557382a97 [0,1,0,1,0,0|1,0,1]=4 7693 B9R1.12 N#CCO[C@H]1CCSC1 d6d4e743a11a83e54e1912d5893ca736 [0,1,0,1,0,0|1,0,1]=4 7694 B9R1.12 O=CCOC1CCCC1 a6adf3d3a9898d822d20d244584a5d22 [0,1,0,1,0,0|0,0,2]=4 7695 B9R1.12 O=CCOC1CCCO1 b12387ccaf578e9136cfdda5442c6ed5 [0,1,0,1,0,0|0,0,2]=4 7696 B9R1.12 O=CCOC1CCOC1 dc39bcd71af6fa4a51e765dc1c7cc22b [0,1,0,1,0,0|0,0,2]=4 7697 B9R1.12 O=CCOC1CCSC1 d2117f08ca242a7df7aed3c889c7183d [0,1,0,1,0,0|0,0,2]=4 7698 B9R1.12 O=CCO[C@@H]1CCOC1 ba6a023905b97fe4c3886891f0169109 [0,1,0,1,0,0|0,0,2]=4 7699 B9R1.12 O=CCO[C@@H]1CCSC1 c32996f1fdfc0ecf3541c8ebef4f1bfc [0,1,0,1,0,0|0,0,2]=4 7700 B9R1.12 O=CCO[C@H]1CCOC1 ba4a88d81a344c083f0092fd5cbc39ac [0,1,0,1,0,0|0,0,2]=4 7701 B9R1.12 O=CCO[C@H]1CCSC1 1a840422c6e1aec7b7491b309995c9af [0,1,0,1,0,0|0,0,2]=4 7702 B9R1.12 OCCCN1CCSC1 5520df57acea4dd7eb8b9ab2544ceb00 [0,1,0,1,0,0|2,0,0]=4 7703 B9R1.12 OCCNC1CC=CC1 20ab980b1400e17133a58650ebedd1f2 [0,1,0,1,0,0|1,0,1]=4 7704 B9R1.12 OCCNC1CCCC1 9d5f875d5eb73651d88d7104c6380a67 [0,1,0,1,0,0|1,0,0]=3 7705 B9R1.12 OCCNC1CCOC1 fdf6b6dc414a88b0f36bfd4a50f03298 [0,1,0,1,0,0|1,0,0]=3 7706 B9R1.12 OCCNC1CCSC1 d99cb9c06f8367be24a6045e92e955c2 [0,1,0,1,0,0|1,0,0]=3 7707 B9R1.12 OCCN[C@@H]1CCOC1 28970b6b2470767fd2ccedecbbb062c9 [0,1,0,1,0,0|1,0,0]=3 7708 B9R1.12 OCCN[C@H]1CCOC1 9bad1cfbb4774db40715135436877842 [0,1,0,1,0,0|1,0,0]=3 7709 B9R1.12 OCNCC1CCCC1 63e67e159d02f35a31c5acd4ee272edf [0,1,0,1,0,0|1,0,0]=3 7710 B9R1.12 OCNCC1CCCO1 7c0145316512c0419865b607461c30ec [0,1,0,1,0,0|2,0,0]=4 7711 B9R1.12 OCNCC1CCOC1 032d8b6e84b177c1da4b8ce765a00bf4 [0,1,0,1,0,0|2,0,0]=4 7712 B9R1.12 OCNC[C@@H]1CCCO1 31a00fae912ba8548490b36aab3d2de9 [0,1,0,1,0,0|2,0,0]=4 7713 B9R1.12 OCNC[C@@H]1CCOC1 80da478af0eddeea50d3e38dcddd96c5 [0,1,0,1,0,0|2,0,0]=4 7714 B9R1.12 OCNC[C@H]1CCCO1 a07951c9126dda0c80fe24218d274d55 [0,1,0,1,0,0|2,0,0]=4 7715 B9R1.12 OCNC[C@H]1CCOC1 7e43c06cf849cb0033f39f0aa724fa6a [0,1,0,1,0,0|2,0,0]=4 7716 B9R1.12 SCCNC1CCCC1 e2eae66ddbb4a3e20964edeb91df585c [0,1,0,1,0,0|1,1,0]=4 7717 B9R1.12 SCCNC1CCOC1 62b3b852cbf36c0669e4dabe259c3163 [0,1,0,1,0,0|1,1,0]=4 7718 B9R1.12 SCCNC1CCSC1 342b292213e7fa8c2f71fa67b554e650 [0,1,0,1,0,0|1,1,0]=4 7719 B9R1.12 SCCN[C@@H]1CCOC1 988b6f64a0e9a36860c07577140b308a [0,1,0,1,0,0|1,1,0]=4 7720 B9R1.12 SCCN[C@H]1CCOC1 ff5448330f90dae4949a83631ddac78d [0,1,0,1,0,0|1,1,0]=4 7721 B9R1.12 SCCOC1C=CCC1 1eb2ad05048032626f6f74234cb19e24 [0,1,0,1,0,0|0,1,1]=4 7722 B9R1.12 SCCOC1CC=CC1 04f1f330cf2ac0da39d87b4d12a7ac8a [0,1,0,1,0,0|0,1,1]=4 7723 B9R1.12 SCCOC1CCCC1 ce0001e3012cc122d56bcdd753ee7ed0 [0,1,0,1,0,0|0,1,0]=3 7724 B9R1.12 SCCOC1CCCO1 8dbb3fe838b96ce29ae716c47c93ca97 [0,1,0,1,0,0|0,1,0]=3 7725 B9R1.12 SCCOC1CCOC1 7f740465665f20b0792a792466876479 [0,1,0,1,0,0|0,1,0]=3 7726 B9R1.12 SCCOC1CCSC1 c9e1b9a7688f8cb2cacccbe59a226041 [0,1,0,1,0,0|0,1,0]=3 7727 B9R1.12 SCCO[C@@H]1CCOC1 adddeeee94ef4cca38e1010afa86a3d5 [0,1,0,1,0,0|0,1,0]=3 7728 B9R1.12 SCCO[C@@H]1CCSC1 368fa5abed56049a6b7218bcf19d6c94 [0,1,0,1,0,0|0,1,0]=3 7729 B9R1.12 SCCO[C@H]1CCOC1 5f532b6a8a75a3f549ab4d207d2f66e1 [0,1,0,1,0,0|0,1,0]=3 7730 B9R1.12 SCCO[C@H]1CCSC1 ef68dd8bb9cb76a99548e22f0083753d [0,1,0,1,0,0|0,1,0]=3 7731 B9R1.15 CC1CCCCN1CF d88c0fc977e244cef0165c65eaf60df6 [0,1,0,1,0,0|2,0,0]=4 7732 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,1,0,1,0,0|1,0,0]=3 7733 B9R1.15 CC1COCCN1CF 401bd486c04b9a07bbe49b4540096330 [0,1,0,1,0,0|2,0,0]=4 7734 B9R1.15 CC1COCCN1CO 705303c7f5b77544a5d6b874419dd2f3 [0,1,0,1,0,0|2,0,0]=4 7735 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [0,1,0,1,0,0|2,0,0]=4 7736 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [0,1,0,1,0,0|2,0,0]=4 7737 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [0,1,0,1,0,0|2,0,0]=4 7738 B9R1.15 CCN1CCOCC1C d988f162f59d8d529a05d21c4fa9e52e [0,1,0,1,0,0|1,0,0]=3 7739 B9R1.15 CCN1CCOC[C@@H]1C b796884dca54268fe3558fca50be7fce [0,1,0,1,0,0|1,0,0]=3 7740 B9R1.15 CCN1CCOC[C@H]1C b06b9b18794e3a242396ddab5337643c [0,1,0,1,0,0|1,0,0]=3 7741 B9R1.15 C[C@@H]1CCCCN1CF f954ea957f61bd82bd8819d1554013e8 [0,1,0,1,0,0|2,0,0]=4 7742 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,1,0,1,0,0|1,0,0]=3 7743 B9R1.15 C[C@@H]1COCCN1CF 9c39bfec5c926b2ec842e40e26f0d812 [0,1,0,1,0,0|2,0,0]=4 7744 B9R1.15 C[C@@H]1COCCN1CO cc00a904ba5929613dd582b457b98630 [0,1,0,1,0,0|2,0,0]=4 7745 B9R1.15 C[C@H]1CCCCN1CF 4b526ffb905b85ad6875d291622a9b36 [0,1,0,1,0,0|2,0,0]=4 7746 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,1,0,1,0,0|1,0,0]=3 7747 B9R1.15 C[C@H]1COCCN1CF bfb8a48aab5613f75bb3a939e4ce04c1 [0,1,0,1,0,0|2,0,0]=4 7748 B9R1.15 C[C@H]1COCCN1CO baf0a3d72ae51972944f2afc0599cf12 [0,1,0,1,0,0|2,0,0]=4 7749 B9R1.18 CCN[C@H]1C[C@@H]1COC 861d94dd2645fe0c74a317fb9f8d0fbf [0,1,0,1,0,0|2,0,0]=4 7750 B9R1.18 CCN[C@H]1C[C@H]1COC d7fd21f23497fe2567b4cb4aa20db5d4 [0,1,0,1,0,0|2,0,0]=4 7751 B9R1.18 COC[C@@H]1C[C@@H]1NCO be2c42917f58b225d3b6e4b27f92fd8e [0,1,0,1,0,0|2,0,0]=4 7752 B9R1.18 COC[C@H]1C[C@@H]1NCO 5b8718f92f3ebd49b2c1acda19ae25b4 [0,1,0,1,0,0|2,0,0]=4 7753 B9R1.20 CCCN[C@@H]1C[C@@H]1OC 825a0d4a5ca05cfeadb76c25af276c7f [0,1,0,1,0,0|2,0,0]=4 7754 B9R1.20 CCCN[C@@H]1C[C@H]1CO 01648121b5a98061b42153e4ab393cb1 [0,1,0,1,0,0|1,0,0]=3 7755 B9R1.20 CCCN[C@H]1C[C@@H]1CO a1b2b11710ee676daec5dfb5dac0dd9a [0,1,0,1,0,0|1,0,0]=3 7756 B9R1.20 CCCN[C@H]1C[C@H]1CO 4d8b1610d3004ae2b8fad1ac32f50857 [0,1,0,1,0,0|1,0,0]=3 7757 B9R1.20 CCCOC1CC1C=O 31262bf4a61a94a8c2a2cb7b4ef3e962 [0,1,0,1,0,0|1,0,1]=4 7758 B9R1.20 CCNCC1CC1CO cbd7260b3c76e2ddd15b4e5660cc138c [0,1,0,1,0,0|1,0,0]=3 7759 B9R1.20 COCN[C@@H]1C[C@H]1CO 866f9f924fddeafb560521f16687abda [0,1,0,1,0,0|2,0,0]=4 7760 B9R1.20 COCN[C@H]1C[C@@H]1CO 06532c20c96495120c8c7b87aa66388c [0,1,0,1,0,0|2,0,0]=4 7761 B9R1.20 COCN[C@H]1C[C@H]1CO 86e8354e25e8245c49a8eb95731822fc [0,1,0,1,0,0|2,0,0]=4 7762 B9R1.20 CO[C@H]1C[C@H]1NCCF 10d028a9c1c02b3b5401065925e7a7ca [0,1,0,1,0,0|2,0,0]=4 7763 B9R1.20 CO[C@H]1C[C@H]1NCCO 188574fd7b7e76cfe62aea738a0406b2 [0,1,0,1,0,0|1,0,0]=3 7764 B9R1.20 CO[C@H]1C[C@H]1NCCS 4f67200f42a2d3925f96a6a734725685 [0,1,0,1,0,0|1,1,0]=4 7765 B9R1.20 CSCN[C@@H]1C[C@H]1CO dc2a1a5a1f2adb139175891421214e12 [0,1,0,1,0,0|2,0,0]=4 7766 B9R1.20 CSCN[C@H]1C[C@@H]1CO 61f7606f37c843bf96d97380b06aa573 [0,1,0,1,0,0|2,0,0]=4 7767 B9R1.20 CSCN[C@H]1C[C@H]1CO dd0cc656d4ea6c6e91b40f8be90a90fc [0,1,0,1,0,0|2,0,0]=4 7768 B9R1.20 O=CC1CC1NCCO d5edf66784041201e0b25f9c09b6d2e2 [0,1,0,1,0,0|1,0,1]=4 7769 B9R1.20 O=CC1CC1OCCF d7daf990654b2937f44bf00a5852616c [0,1,0,1,0,0|1,0,1]=4 7770 B9R1.20 O=CC1CC1OCCS 33ec9ebf7ade6482ca866b2176954a1d [0,1,0,1,0,0|0,1,1]=4 7771 B9R1.20 OCC1CC1CNCF d6be501a441f5bb15e074a0f22a65396 [0,1,0,1,0,0|2,0,0]=4 7772 B9R1.20 OCCN[C@@H]1C[C@H]1CO e74e21b2ad666ffccd308bf9aab2e929 [0,1,0,1,0,0|1,0,0]=3 7773 B9R1.20 OCCN[C@H]1C[C@@H]1CO 70463c7bf6766fb9cc8b4b6d11bb7876 [0,1,0,1,0,0|1,0,0]=3 7774 B9R1.20 OCCN[C@H]1C[C@H]1CO 75e59c7443b1790d98fe2f7044d7a482 [0,1,0,1,0,0|1,0,0]=3 7775 B9R1.20 OCNCC1CC1CO 13fb2588897a7136b22fec50518ef9d1 [0,1,0,1,0,0|2,0,0]=4 7776 B9R1.20 OC[C@@H]1C[C@@H]1NCCF d44053c67f226b915015d41f5ae3d61c [0,1,0,1,0,0|2,0,0]=4 7777 B9R1.20 OC[C@@H]1C[C@@H]1NCCS 1dea07c6209e2b55e3805c5038e3ef49 [0,1,0,1,0,0|1,1,0]=4 7778 B9R1.20 OC[C@@H]1C[C@H]1NCCF a0b87aa50906d585d0b266ef1aecefe7 [0,1,0,1,0,0|2,0,0]=4 7779 B9R1.20 OC[C@@H]1C[C@H]1NCCS 869b5752966e37dccf553feb99674c13 [0,1,0,1,0,0|1,1,0]=4 7780 B9R1.20 OC[C@H]1C[C@@H]1NCCF 2bc75adc05f237ceed18ae2276935e60 [0,1,0,1,0,0|2,0,0]=4 7781 B9R1.20 OC[C@H]1C[C@@H]1NCCS b17013bc8c962284b6dfde68839c20de [0,1,0,1,0,0|1,1,0]=4 7782 B9R1.22 C[C@@H]1C[C@@H](CN1CO)F 2c8b515ff44f5c5c63055e34a1f8609f [0,1,0,1,0,0|2,0,0]=4 7783 B9R1.22 C[C@@H]1C[C@@H](CN1CO)O e681859416444f5311a26d779e190cc2 [0,1,0,1,0,0|2,0,0]=4 7784 B9R1.22 C[C@@H]1C[C@H](CN1CO)F 1c64d0b870f76397fa50d505a2bc861f [0,1,0,1,0,0|2,0,0]=4 7785 B9R1.22 C[C@@H]1C[C@H](CN1CO)O c76fd2917ab6047f8b2c4ab5e4bce2f3 [0,1,0,1,0,0|2,0,0]=4 7786 B9R1.22 C[C@H]1C[C@@H](CN1CO)F 3a154b5e627f8e6487529c8ab60ab139 [0,1,0,1,0,0|2,0,0]=4 7787 B9R1.22 C[C@H]1C[C@@H](CN1CO)O c1b5714343d20e0528e697cbb2f02dc7 [0,1,0,1,0,0|2,0,0]=4 7788 B9R1.22 C[C@H]1C[C@H](CN1CO)F d737282e7d5b055adbcb87d6b9db4851 [0,1,0,1,0,0|2,0,0]=4 7789 B9R1.22 C[C@H]1C[C@H](CN1CO)O aa23096331bc53ab0f7e8f1e372d6486 [0,1,0,1,0,0|2,0,0]=4 7790 B9R1.27 CC1CCC(N1CO)C 915dc7f4bb8313559fce313d677891e4 [0,1,0,1,0,0|2,0,0]=4 7791 B9R1.27 C[C@@H]1CC[C@@H](N1CO)C afc963e98822e7e05d24d373310b7d28 [0,1,0,1,0,0|2,0,0]=4 7792 B9R1.27 C[C@@H]1CC[C@H](N1CO)C 38b88e12f2a7a0b40c0e8ecbe74f6383 [0,1,0,1,0,0|2,0,0]=4 7793 B9R1.27 C[C@H]1CC[C@@H](N1CO)C 555a90634e780a6eae8b46bef30a663b [0,1,0,1,0,0|2,0,0]=4 7794 B9R1.33 CC1CCCC1OCF 32f68f74d298f1c114dbc7dd09935821 [0,1,0,1,0,0|2,0,0]=4 7795 B9R1.33 CC1CCCN1CCF 12b7237d6e74f93a90a7f00fa20599b9 [0,1,0,1,0,0|2,0,0]=4 7796 B9R1.33 CC1CCCN1CCO 281a8d841757602b2230f2ac436bc7ad [0,1,0,1,0,0|1,0,0]=3 7797 B9R1.33 CC1CCCN1CCS 55ded26cf38de8946ab4d87fc8bafa09 [0,1,0,1,0,0|1,1,0]=4 7798 B9R1.33 CC1COCC1OCF 3c096b732ebb8839a1937d0d4764843e [0,1,0,1,0,0|2,0,0]=4 7799 B9R1.33 CC1SCCN1CCF 97a770abd78f2932fd867e97fcccbe4c [0,1,0,1,0,0|2,0,0]=4 7800 B9R1.33 CC1SCCN1CCO fa892f5f296f70ac492ea8141f9c901c [0,1,0,1,0,0|1,0,0]=3 7801 B9R1.33 CC1SCCN1CCS 8a3e18a04342e97ed8fdc11aa98e92ac [0,1,0,1,0,0|1,1,0]=4 7802 B9R1.33 CCCN1CCCC1C 195e50180963f808391ad382056319a1 [0,1,0,1,0,0|2,0,0]=4 7803 B9R1.33 CCCN1CCCC1O 896bbb6e21363ca7dd9cc7555c30bb4b [0,1,0,1,0,0|1,0,0]=3 7804 B9R1.33 CCCN1CCC[C@@H]1C b67a37eaaf46cb0a5ebdfee423e623bf [0,1,0,1,0,0|2,0,0]=4 7805 B9R1.33 CCCN1CCC[C@H]1C 560044d8f08030c58863ec3801769700 [0,1,0,1,0,0|2,0,0]=4 7806 B9R1.33 CCCN1CCSC1C ea064f2ba27cdd3274749fb2bad6042a [0,1,0,1,0,0|2,0,0]=4 7807 B9R1.33 CCNC1CCCC1O 4082360f4f038038f347b5d184fd111c [0,1,0,1,0,0|1,0,0]=3 7808 B9R1.33 CCNC1COCC1O 8a75344fee0f6d15c18b87a9ac68818b [0,1,0,1,0,0|0,0,0]=2 7809 B9R1.33 CCN[C@@H]1CCC[C@@H]1O 7fc0c82c19f54fdb7ff37f6b41c3ad62 [0,1,0,1,0,0|1,0,0]=3 7810 B9R1.33 CCN[C@@H]1CCC[C@H]1O 7200f16a31f279f976985efc0dd1963a [0,1,0,1,0,0|1,0,0]=3 7811 B9R1.33 CCN[C@@H]1COC[C@@H]1O f2cb73d810a94a519b0c613aca931e40 [0,1,0,1,0,0|0,0,0]=2 7812 B9R1.33 CCN[C@@H]1COC[C@H]1O 3d2e7b04498e79a9127ad031bd6cd585 [0,1,0,1,0,0|0,0,0]=2 7813 B9R1.33 CCN[C@H]1CCC[C@@H]1O 7e9e41c880fd9b1705872b4570e9e9a4 [0,1,0,1,0,0|1,0,0]=3 7814 B9R1.33 CCN[C@H]1CCC[C@H]1O b25a1a46741ef202e0fa8a6fbd0108ff [0,1,0,1,0,0|1,0,0]=3 7815 B9R1.33 CCN[C@H]1COC[C@@H]1O 15371f0f0a7d19cd3e10ba8becd75c88 [0,1,0,1,0,0|0,0,0]=2 7816 B9R1.33 CCN[C@H]1COC[C@H]1F f6399259b95fa36cbb2ca6abfb6c3ae4 [0,1,0,1,0,0|1,0,0]=3 7817 B9R1.33 CCN[C@H]1COC[C@H]1O e7fb4c48251b142ea94797dd89ddefcf [0,1,0,1,0,0|0,0,0]=2 7818 B9R1.33 CCOC1CCCC1C e450d37d5269371ee21c4d9099cf78f8 [0,1,0,1,0,0|2,0,0]=4 7819 B9R1.33 CCOC1COCC1C 147522ca7d24e1d1d53bf1d5d356c59c [0,1,0,1,0,0|1,0,0]=3 7820 B9R1.33 CCOC1COCC1F 1be8c95ac5203307ebfbc5cb41ddb9d9 [0,1,0,1,0,0|1,0,0]=3 7821 B9R1.33 CCO[C@@H]1CCC[C@@H]1C 48c6c8a377684215533cce2f3b7a040e [0,1,0,1,0,0|2,0,0]=4 7822 B9R1.33 CCO[C@@H]1CCC[C@H]1C 8546dfd57bc5bf5d07eccd29f6ea3a23 [0,1,0,1,0,0|2,0,0]=4 7823 B9R1.33 CCO[C@@H]1CCC[C@H]1F 72550d5d818c2295f7ce45f538a74c92 [0,1,0,1,0,0|2,0,0]=4 7824 B9R1.33 CCO[C@@H]1COC[C@@H]1C cad903376c9110d1a0e3b4b2f5442a98 [0,1,0,1,0,0|1,0,0]=3 7825 B9R1.33 CCO[C@@H]1COC[C@H]1F 9241d15680ae57002c68fda30c37c1df [0,1,0,1,0,0|1,0,0]=3 7826 B9R1.33 CCO[C@H]1CCC[C@@H]1C 572fc68e8a7c8a7220d19d5da78e401e [0,1,0,1,0,0|2,0,0]=4 7827 B9R1.33 CCO[C@H]1CCC[C@H]1C 292472170f80aa7cd37f5df4f5f5c571 [0,1,0,1,0,0|2,0,0]=4 7828 B9R1.33 CCO[C@H]1COC[C@@H]1C 8398dd22fb9a2a0e221c13d09ce3cc6f [0,1,0,1,0,0|1,0,0]=3 7829 B9R1.33 CCO[C@H]1COC[C@H]1C ad6ad00d2412a28f40d20c037f57b7f1 [0,1,0,1,0,0|1,0,0]=3 7830 B9R1.33 CCO[C@H]1COC[C@H]1F a6fc516efbab22338c5de000c15b84ca [0,1,0,1,0,0|1,0,0]=3 7831 B9R1.33 COCN1CCCC1C 2e2fa9caa80c65622db57e92a91185ed [0,1,0,1,0,0|2,0,0]=4 7832 B9R1.33 COCN1CCCC1O 8b98ba1cb4ce15abcde5fe57fcac32a2 [0,1,0,1,0,0|2,0,0]=4 7833 B9R1.33 COCN1CCC[C@@H]1C 67a823fd66504e3cca4e93ae80ae1760 [0,1,0,1,0,0|2,0,0]=4 7834 B9R1.33 COCN1CCC[C@H]1C b841d9c1194ced1813dd800d8e308d6a [0,1,0,1,0,0|2,0,0]=4 7835 B9R1.33 CSCN1CCCC1O 815195a55b563b786369c78b0e58b3f9 [0,1,0,1,0,0|2,0,0]=4 7836 B9R1.33 C[C@@H]1CCCN1CCF ba343820014f9fee9c4f8a1673d15691 [0,1,0,1,0,0|2,0,0]=4 7837 B9R1.33 C[C@@H]1CCCN1CCO 09597fc03649e0133d260389224063ff [0,1,0,1,0,0|1,0,0]=3 7838 B9R1.33 C[C@@H]1CCCN1CCS 5f95e783328a7d9dfc390e65d01eaf3a [0,1,0,1,0,0|1,1,0]=4 7839 B9R1.33 C[C@@H]1CCC[C@@H]1OCF 22b3e84f2ed8c44061bfce0789720234 [0,1,0,1,0,0|2,0,0]=4 7840 B9R1.33 C[C@@H]1CCC[C@H]1OCF 055ee3d509f14e26b1cd85bd2abbeffb [0,1,0,1,0,0|2,0,0]=4 7841 B9R1.33 C[C@@H]1COC[C@@H]1OCF 0b5e6bee58bbf5e5566c4b8ae733f257 [0,1,0,1,0,0|2,0,0]=4 7842 B9R1.33 C[C@H]1CCCN1CCF d6e2f6e32e09d6c9d06146a526765e88 [0,1,0,1,0,0|2,0,0]=4 7843 B9R1.33 C[C@H]1CCCN1CCO d9a463a7c3fe8fd3082bc4ccbe366d3c [0,1,0,1,0,0|1,0,0]=3 7844 B9R1.33 C[C@H]1CCCN1CCS a6d3a1e77e4d3a5efdec971b928d388b [0,1,0,1,0,0|1,1,0]=4 7845 B9R1.33 C[C@H]1CCC[C@@H]1OCF 23b83a359e8c77c1ff60bdac1439e1a3 [0,1,0,1,0,0|2,0,0]=4 7846 B9R1.33 C[C@H]1CCC[C@H]1OCF 59a7f5726623d931b860afe2ddbbde2f [0,1,0,1,0,0|2,0,0]=4 7847 B9R1.33 C[C@H]1COC[C@@H]1OCF 49cc9ede3f3081384093798d4cbf38e3 [0,1,0,1,0,0|2,0,0]=4 7848 B9R1.33 C[C@H]1COC[C@H]1OCF f508ea1526c90697801b5e84cf393151 [0,1,0,1,0,0|2,0,0]=4 7849 B9R1.33 FCN[C@H]1COC[C@H]1F 33674cf7a513b198aca12680f2e3d3b4 [0,1,0,1,0,0|2,0,0]=4 7850 B9R1.33 FCOC1COCC1F 1d1c9853013eefb9b1ae653648d10d9d [0,1,0,1,0,0|2,0,0]=4 7851 B9R1.33 FCO[C@@H]1COC[C@H]1F 6733d748ce6692fc4609be43e0389ecc [0,1,0,1,0,0|2,0,0]=4 7852 B9R1.33 FCO[C@H]1COC[C@H]1F a9db16de79636d5042136f38256795b3 [0,1,0,1,0,0|2,0,0]=4 7853 B9R1.33 N#CNC1COCC1O 98c55d66e4e270c43f838c1854bf5111 [0,1,0,1,0,0|1,0,1]=4 7854 B9R1.33 N#CN[C@@H]1COC[C@H]1O 2900159f96d3f913caccfa45a331d745 [0,1,0,1,0,0|1,0,1]=4 7855 B9R1.33 O=CNC1COCC1O 8a660c587cad8c269ab00fb0df7cd154 [0,1,0,1,0,0|1,0,1]=4 7856 B9R1.33 O=CN[C@@H]1COC[C@@H]1O f898993a9f81f150abef41790ac487ca [0,1,0,1,0,0|1,0,1]=4 7857 B9R1.33 O=CN[C@@H]1COC[C@H]1O 187db9f1fc45bae154da94c5f849a158 [0,1,0,1,0,0|1,0,1]=4 7858 B9R1.33 O=CN[C@H]1COC[C@@H]1O 0425afcebb9b96f41287e87d190f87e0 [0,1,0,1,0,0|1,0,1]=4 7859 B9R1.33 O=CN[C@H]1COC[C@H]1O 3325eb2ca0b5aa721b924b5069f801c5 [0,1,0,1,0,0|1,0,1]=4 7860 B9R1.33 OC1CCCC1NCF 3e53e93104771c3d51211718d6e8d519 [0,1,0,1,0,0|2,0,0]=4 7861 B9R1.33 OC1CCCN1CCF 5908042fb0d483870c7c6d7b0ef663ea [0,1,0,1,0,0|2,0,0]=4 7862 B9R1.33 OC1CCCN1CCS c6710ff513719fa5686638f019381e34 [0,1,0,1,0,0|1,1,0]=4 7863 B9R1.33 OC1COCC1NCF 202f632329e5107c5275c252305beae3 [0,1,0,1,0,0|1,0,0]=3 7864 B9R1.33 OCCN1CCCC1O 8d56158ce663c0576a5663e88c47e79c [0,1,0,1,0,0|1,0,0]=3 7865 B9R1.33 OCNC1CCCC1O 7504b55c63b2fded4732a3e525fa7550 [0,1,0,1,0,0|2,0,0]=4 7866 B9R1.33 OCNC1COCC1O c3610a28a3db7a9d949c989502b3f34e [0,1,0,1,0,0|1,0,0]=3 7867 B9R1.33 OCN[C@@H]1CCC[C@@H]1O db0b2a8bb88414a9efeae3f1fe464a37 [0,1,0,1,0,0|2,0,0]=4 7868 B9R1.33 OCN[C@@H]1CCC[C@H]1O 3709505f378a4d89dcefcb134f3568a6 [0,1,0,1,0,0|2,0,0]=4 7869 B9R1.33 OCN[C@@H]1COC[C@@H]1O 08e5a960c0419191069f7af3472d6b36 [0,1,0,1,0,0|1,0,0]=3 7870 B9R1.33 OCN[C@@H]1COC[C@H]1O 94e3b3007764d3c56517f49ea38b42d2 [0,1,0,1,0,0|1,0,0]=3 7871 B9R1.33 OCN[C@H]1CCC[C@@H]1O f4671b0cdea026985ec9dbaf9c63923d [0,1,0,1,0,0|2,0,0]=4 7872 B9R1.33 OCN[C@H]1CCC[C@H]1O 23c425820a699b39047be4411da6db39 [0,1,0,1,0,0|2,0,0]=4 7873 B9R1.33 OCN[C@H]1COC[C@@H]1O 09a933a72d94637bda0cc464e9cb024f [0,1,0,1,0,0|1,0,0]=3 7874 B9R1.33 OCN[C@H]1COC[C@H]1F c1c76823ab79133d0528463c4affa2cd [0,1,0,1,0,0|2,0,0]=4 7875 B9R1.33 OCN[C@H]1COC[C@H]1O ac8dc571a76938ca629e39178712efde [0,1,0,1,0,0|1,0,0]=3 7876 B9R1.33 O[C@@H]1CCC[C@@H]1NCF c2712d4be6370764b9849e4879c3a76f [0,1,0,1,0,0|2,0,0]=4 7877 B9R1.33 O[C@@H]1CCC[C@H]1NCF 0e32bc3ccdf97a3a36b868b1c2ea8498 [0,1,0,1,0,0|2,0,0]=4 7878 B9R1.33 O[C@@H]1COC[C@@H]1NCF dfaee6756b61b18260c5254385065db6 [0,1,0,1,0,0|1,0,0]=3 7879 B9R1.33 O[C@@H]1COC[C@H]1NCF 99ab1ab61870581b8caf9f38254bd7c5 [0,1,0,1,0,0|1,0,0]=3 7880 B9R1.33 O[C@H]1CCC[C@@H]1NCF ecd17c3a66e72e2c9e56abf7dbf98db6 [0,1,0,1,0,0|2,0,0]=4 7881 B9R1.33 O[C@H]1CCC[C@H]1NCF 88f4a0a9f2a513c5cc8a612938ea5a40 [0,1,0,1,0,0|2,0,0]=4 7882 B9R1.33 O[C@H]1COC[C@@H]1NCF cf6039404d6ab1fd9ef3fbec2a071d88 [0,1,0,1,0,0|1,0,0]=3 7883 B9R1.33 O[C@H]1COC[C@H]1NCF 2da92ab10b2f33bd14a25d4e8098460b [0,1,0,1,0,0|1,0,0]=3 7884 B9R1.58 CCC1CN(C1)CCF abe25c1918fe3c2facb5391b17e9448e [0,1,0,1,0,0|2,0,0]=4 7885 B9R1.58 CCC1CN(C1)CCO 67014450213d59cda6f0d71304b6640d [0,1,0,1,0,0|1,0,0]=3 7886 B9R1.58 CCC1CN(C1)CCS f71c8b02edb5c429f862a4dd6fee4dab [0,1,0,1,0,0|1,1,0]=4 7887 B9R1.58 CCCC1CN(C1)CO 4aa6189420cc0f78fcf0a688394057ed [0,1,0,1,0,0|2,0,0]=4 7888 B9R1.58 CCCN1CC(C1)CC 6dc7740bb3ce08ef2d4a7e194557d50d [0,1,0,1,0,0|2,0,0]=4 7889 B9R1.58 CCCN1CC(C1)CO d0bfc827a719a7fb376119976dccaafd [0,1,0,1,0,0|2,0,0]=4 7890 B9R1.58 CCNC1CC(C1)CO ea4ac855be1a3d26dbcbc017e2465ee8 [0,1,0,1,0,0|2,0,0]=4 7891 B9R1.58 CCN[C@H]1C[C@@H](C1)CO 0dbd203ea206054c9a2d64c99a4a0eb0 [0,1,0,1,0,0|2,0,0]=4 7892 B9R1.58 CCN[C@H]1C[C@H](C1)CO 5cb8b8907db9931e9b7154e8c3a5ce9b [0,1,0,1,0,0|2,0,0]=4 7893 B9R1.58 COC1CN(C1)CCO 83216e996038b69b52f20c086d1006c7 [0,1,0,1,0,0|2,0,0]=4 7894 B9R1.58 CSC1CN(C1)CCO 2cd0445f5db6f320f5b968d10ce0fce6 [0,1,0,1,0,0|2,0,0]=4 7895 B9R1.58 OCCN1CC(C1)CF 062943adcd5ca369854eedc8df14d60c [0,1,0,1,0,0|2,0,0]=4 7896 B9R1.58 OCCN1CC(C1)CO 3ce0f86f5640dfca80287d2983f4f479 [0,1,0,1,0,0|2,0,0]=4 7897 B9R1.73 CC(CCO)N1CCC1 bf9d8dc5920e534d48abf84b77585b1d [0,1,0,1,0,0|2,0,0]=4 7898 B9R1.73 CCCC(C)N1CCC1 4c26ed78ed095bc5441a0a9312ed5f1b [0,1,0,1,0,0|2,0,0]=4 7899 B9R1.73 CCCN(C)C1CCC1 05d09e6e4cd9d03104168cb5ea6ce5d3 [0,1,0,1,0,0|2,0,0]=4 7900 B9R1.73 CN(CCF)C1CCC1 1f1166ac2ba830daea4d649212a451fb [0,1,0,1,0,0|2,0,0]=4 7901 B9R1.73 CN(CCO)C1CCC1 943cce375f0832cb93a9615a44bc817d [0,1,0,1,0,0|1,0,0]=3 7902 B9R1.73 CN(CCO)C1COC1 3fe8e61e0d11e081493ba950cb460ffd [0,1,0,1,0,0|2,0,0]=4 7903 B9R1.73 CN(CCS)C1CCC1 7be13d5577b3cb224453c33eaf815073 [0,1,0,1,0,0|1,1,0]=4 7904 B9R1.73 O=C(CCO)N1CCC1 6bf1607e1869d0d3c01dd7fbd6df2013 [0,1,0,1,0,0|2,0,0]=4 7905 B9R1.75 CC(CCO)NC1CC1 d14e432929bfe5cb047945c9896f3cca [0,1,0,1,0,0|2,0,0]=4 7906 B9R1.75 CCCC(=S)OC1CC1 3ede2199ba2d3ee23fa79963c2e45e7c [0,1,0,1,0,0|1,0,1]=4 7907 B9R1.75 CCCC(C)NC1CC1 59d9e41d0afba142951a0844213b9acd [0,1,0,1,0,0|2,0,0]=4 7908 B9R1.75 CCCC(C)OC1CC1 b1f4637142c30b48a76537455d4b0138 [0,1,0,1,0,0|1,0,0]=3 7909 B9R1.75 CCCN(C)CC1CC1 2c3fe44f5bd6856fda6c429b270e5613 [0,1,0,1,0,0|2,0,0]=4 7910 B9R1.75 CCC[C@@H](C)OC1CC1 0dcc6a082d7178b7b1199efbdbf4cc88 [0,1,0,1,0,0|1,0,0]=3 7911 B9R1.75 CCC[C@H](C)NC1CC1 86c36cffa76e59811a3ffa4e907c45b6 [0,1,0,1,0,0|2,0,0]=4 7912 B9R1.75 CCC[C@H](C)OC1CC1 9066b0ec22bca4db13acf59cd248c738 [0,1,0,1,0,0|1,0,0]=3 7913 B9R1.75 CN(CCF)CC1CC1 003c56dddbafae58f226aa7d4157457c [0,1,0,1,0,0|2,0,0]=4 7914 B9R1.75 CN(CCO)CC1CC1 1015162cb876bfc41ea9f3498e6713ab [0,1,0,1,0,0|1,0,0]=3 7915 B9R1.75 CN(CCS)CC1CC1 b05414f23268ae4ccc51a1baf031fa19 [0,1,0,1,0,0|1,1,0]=4 7916 B9R1.75 COCC(C)OC1CC1 9b2a784a681ee56e73e5023d92d79edc [0,1,0,1,0,0|2,0,0]=4 7917 B9R1.75 COC[C@@H](C)OC1CC1 b116d1313fd87f968c2a8b37e36ebbce [0,1,0,1,0,0|2,0,0]=4 7918 B9R1.75 COC[C@H](C)OC1CC1 5f1722c0a980189ff0638886519898bd [0,1,0,1,0,0|2,0,0]=4 7919 B9R1.75 CSCC(C)OC1CC1 b64542fe6893e9176959a20e42724f1b [0,1,0,1,0,0|2,0,0]=4 7920 B9R1.75 C[C@@H](CCO)NC1CC1 f4823aa824c786d230c28ff7d0aa25f2 [0,1,0,1,0,0|2,0,0]=4 7921 B9R1.75 C[C@H](CCO)NC1CC1 d923183f0a915c9b5b2d415e25ae6771 [0,1,0,1,0,0|2,0,0]=4 7922 B9R1.75 O=C(CCO)NC1CC1 f15a65ccaca9d8820605caf55c17a155 [0,1,0,1,0,0|2,0,0]=4 7923 B9R1.100 C#CCOC(C)C1CC1 6b47c093526a830f67ba62a6a84b04a3 [0,1,0,1,0,0|1,0,1]=4 7924 B9R1.100 C#CCO[C@@H](C)C1CC1 2d1cb20dd377f40267ee1c3a83087abb [0,1,0,1,0,0|1,0,1]=4 7925 B9R1.100 C#CCO[C@H](C)C1CC1 d2cb496ae4652fe9df9e6cf471d7cd57 [0,1,0,1,0,0|1,0,1]=4 7926 B9R1.100 C=CCOC(C)C1CC1 9a6cbd97c9e1f2a4b8d64ae7ab72f097 [0,1,0,1,0,0|1,0,1]=4 7927 B9R1.100 C=CCO[C@@H](C)C1CC1 1c46d104cc479486299238cfd4a93bb4 [0,1,0,1,0,0|1,0,1]=4 7928 B9R1.100 C=CCO[C@H](C)C1CC1 2b5f0167fe2fc0c993405a35fcf166be [0,1,0,1,0,0|1,0,1]=4 7929 B9R1.100 CC(NCCBr)C1CC1 456afa1da6d1e176198845ee7c353456 [0,1,0,1,0,0|2,0,0]=4 7930 B9R1.100 CC(NCCF)C1CC1 56c345932addc4b89fbcc989c10daa62 [0,1,0,1,0,0|2,0,0]=4 7931 B9R1.100 CC(NCCI)C1CC1 929b8aa01715faeec650b0ab9268fca4 [0,1,0,1,0,0|2,0,0]=4 7932 B9R1.100 CC(NCCO)C1CC1 a2708a27bd8bd66beab16109b29a9e30 [0,1,0,1,0,0|1,0,0]=3 7933 B9R1.100 CC(NCCS)C1CC1 cfec44f8a366ca670c44bc92ed4f3fb1 [0,1,0,1,0,0|1,1,0]=4 7934 B9R1.100 CC(OCC#N)C1CC1 603c156c31bd37072b77acdaf5097d44 [0,1,0,1,0,0|1,0,1]=4 7935 B9R1.100 CC(OCC=O)C1CC1 a995a7bf5ed6a04c16db86dd7be93416 [0,1,0,1,0,0|0,0,2]=4 7936 B9R1.100 CC(OCCF)C1CC1 17baad9e258a69972f6b86df34e5eb0e [0,1,0,1,0,0|1,0,0]=3 7937 B9R1.100 CC(OCCS)C1CC1 b54389b4290e830ad3ea0bc0a2134d87 [0,1,0,1,0,0|0,1,0]=3 7938 B9R1.100 CCCCN(C)C1CC1 5de8cd94ddf9bc965a4b958091051b8c [0,1,0,1,0,0|2,0,0]=4 7939 B9R1.100 CCCNC(C)C1CC1 1ab2b48ebbabbb3c1036eb5dcc71c97f [0,1,0,1,0,0|2,0,0]=4 7940 B9R1.100 CCCN[C@@H](C)C1CC1 fb013da690a9d55e6f212dcab3db39bd [0,1,0,1,0,0|2,0,0]=4 7941 B9R1.100 CCCN[C@H](C)C1CC1 6e72fd4335321aaf41501b048439c9a0 [0,1,0,1,0,0|2,0,0]=4 7942 B9R1.100 CCCOC(C)C1CC1 cabeb506d8c9107ceabfea0d3ebc353e [0,1,0,1,0,0|1,0,0]=3 7943 B9R1.100 CCCO[C@@H](C)C1CC1 d83db049aaa490bbd28b146c534539ba [0,1,0,1,0,0|1,0,0]=3 7944 B9R1.100 CCCO[C@H](C)C1CC1 530cbf6a3ee2c10e9fe25fe4d64090e4 [0,1,0,1,0,0|1,0,0]=3 7945 B9R1.100 CN(CCCO)C1CC1 6c4a759b2a488252ee1820efcb1b80fe [0,1,0,1,0,0|2,0,0]=4 7946 B9R1.100 COCOC(C)C1CC1 d368ce75e08f658a078cace62a60053c [0,1,0,1,0,0|2,0,0]=4 7947 B9R1.100 COCO[C@@H](C)C1CC1 dbb2e7e8260a415fc532585f61c718a4 [0,1,0,1,0,0|2,0,0]=4 7948 B9R1.100 COCO[C@H](C)C1CC1 e84e83bf459af99e234ab08066ce7e69 [0,1,0,1,0,0|2,0,0]=4 7949 B9R1.100 CSCOC(C)C1CC1 d7ac0ec06ce68620ff7038abfacbd556 [0,1,0,1,0,0|2,0,0]=4 7950 B9R1.100 CSCO[C@@H](C)C1CC1 e395b84ab6578c2e60c89bc13423d079 [0,1,0,1,0,0|2,0,0]=4 7951 B9R1.100 CSCO[C@H](C)C1CC1 b098901d85ca55b29040ca644f49581d [0,1,0,1,0,0|2,0,0]=4 7952 B9R1.100 C[C@@H](NCCF)C1CC1 48d6ae02d9ddf7bd60e7b46dc7307754 [0,1,0,1,0,0|2,0,0]=4 7953 B9R1.100 C[C@@H](NCCO)C1CC1 b224e956364cea1a098a03f0942bcee4 [0,1,0,1,0,0|1,0,0]=3 7954 B9R1.100 C[C@@H](NCCS)C1CC1 2db7da695d42614888fe1d86f3970795 [0,1,0,1,0,0|1,1,0]=4 7955 B9R1.100 C[C@@H](OCC#N)C1CC1 dfdc85c6196c6b5e78c73aae75a7dfb1 [0,1,0,1,0,0|1,0,1]=4 7956 B9R1.100 C[C@@H](OCC=O)C1CC1 a5c13a00b54bfe529f6d1090f68fe2c2 [0,1,0,1,0,0|0,0,2]=4 7957 B9R1.100 C[C@@H](OCCF)C1CC1 7772debf17e7f86c78aafe5c0d7a1270 [0,1,0,1,0,0|1,0,0]=3 7958 B9R1.100 C[C@@H](OCCS)C1CC1 f7f2ad7160719e237a684c3991afce8d [0,1,0,1,0,0|0,1,0]=3 7959 B9R1.100 C[C@H](NCCF)C1CC1 56d299340946c8e29a2fe4f4595cc63b [0,1,0,1,0,0|2,0,0]=4 7960 B9R1.100 C[C@H](NCCO)C1CC1 580ab0fe6ce718066c7d289268f11ad3 [0,1,0,1,0,0|1,0,0]=3 7961 B9R1.100 C[C@H](NCCS)C1CC1 e60c0cbfd2643504501bca1f316b2ab5 [0,1,0,1,0,0|1,1,0]=4 7962 B9R1.100 C[C@H](OCC#N)C1CC1 f6d86ee39fbf18cb8e044fa7bd22987b [0,1,0,1,0,0|1,0,1]=4 7963 B9R1.100 C[C@H](OCC=O)C1CC1 d2d08f0ad2315b3b7df27213b150e5e4 [0,1,0,1,0,0|0,0,2]=4 7964 B9R1.100 C[C@H](OCCF)C1CC1 c3914ca3896d27f62bae9663319bed39 [0,1,0,1,0,0|1,0,0]=3 7965 B9R1.100 C[C@H](OCCS)C1CC1 e8f842ed5781a17d5902f7abe6d58916 [0,1,0,1,0,0|0,1,0]=3 7966 B9R1.100 OCNCC(O)C1CC1 f489f43124bacb0838de95cfb666b51f [0,1,0,1,0,0|2,0,0]=4 7967 B9R1.117 CC1(CCC1)NCCF 38bfa6197991ac0050df2dee7a9553ca [0,1,0,1,0,0|2,0,0]=4 7968 B9R1.117 CC1(CCC1)NCCO 96a79257814d8ac602a9fccb3a4bd479 [0,1,0,1,0,0|1,0,0]=3 7969 B9R1.117 CC1(CCC1)NCCS 123e715fde507a5e31a1529457c0208f [0,1,0,1,0,0|1,1,0]=4 7970 B9R1.117 CC1(COC1)NCCO 17ef702143bd68c5cd0d4633f5b9bfd9 [0,1,0,1,0,0|2,0,0]=4 7971 B9R1.117 CC1(CSC1)NCCO 3566e212036bc3976742f4780af0719f [0,1,0,1,0,0|2,0,0]=4 7972 B9R1.117 CCCNC1(CCC1)C a5a29c38633bb4617ebbcfeb63b78b84 [0,1,0,1,0,0|2,0,0]=4 7973 B9R1.117 CCNCC1(CCO1)C afb2a2deed4aa574c9a19bace75deafb [0,1,0,1,0,0|2,0,0]=4 7974 B9R1.117 CCNC[C@@]1(CCO1)C b5181aecf77d24e415f446a88008254d [0,1,0,1,0,0|2,0,0]=4 7975 B9R1.117 CCOCC1(CCO1)C ccd27a204ec34f23d7f21b9c80585ee8 [0,1,0,1,0,0|2,0,0]=4 7976 B9R1.117 CCOC[C@@]1(CCO1)C d395cd5564dd83c42d2660c6ce3b2786 [0,1,0,1,0,0|2,0,0]=4 7977 B9R1.117 CCOC[C@]1(CCO1)C e2b63aaef9b04a80eedf8ab9fd72001d [0,1,0,1,0,0|2,0,0]=4 7978 B9R1.117 OCNCC1(CCC1)O ef2590a214081fbf95fb8479d3e63b00 [0,1,0,1,0,0|2,0,0]=4 7979 B9R1.134 CC1(CCCC1)NCO ff39442060a58eb613376b43d3f85b34 [0,1,0,1,0,0|2,0,0]=4 7980 B9R1.154 CC1CC(N1CCF)C e7d5cb5355602202149590ff94d6199c [0,1,0,1,0,0|2,0,0]=4 7981 B9R1.154 CC1CC(N1CCO)C f73e93c47eae171f392aa9569800d443 [0,1,0,1,0,0|1,0,0]=3 7982 B9R1.154 CC1CC(N1CCS)C 6ec6f79d9cd69d6f88b7ade888fa6eee [0,1,0,1,0,0|1,1,0]=4 7983 B9R1.154 CCCN1C(CC1C)C d1c29f720bb91ef579774d900a2674ad [0,1,0,1,0,0|2,0,0]=4 7984 B9R1.154 CCCN1[C@@H](C[C@@H]1C)C ea53a6ef50fcd7ae04fadab82bca398b [0,1,0,1,0,0|2,0,0]=4 7985 B9R1.154 CCCN1[C@@H](C[C@H]1C)C 11f45f43d0037b6610ccab88a948b02b [0,1,0,1,0,0|2,0,0]=4 7986 B9R1.154 CCCN1[C@H](C[C@@H]1C)C 4fd9ffb5808db806f50ab3ef17cc9950 [0,1,0,1,0,0|2,0,0]=4 7987 B9R1.154 C[C@@H]1C[C@@H](N1CCF)C 3e7ed274e4d2bc08a407d436414bfeb6 [0,1,0,1,0,0|2,0,0]=4 7988 B9R1.154 C[C@@H]1C[C@@H](N1CCO)C b48c2d47a4c0f580824c500acea71a13 [0,1,0,1,0,0|1,0,0]=3 7989 B9R1.154 C[C@@H]1C[C@@H](N1CCS)C fc3e90a8ceb057dbc085f9f182a54fa1 [0,1,0,1,0,0|1,1,0]=4 7990 B9R1.154 C[C@@H]1C[C@H](N1CCF)C 2f99acd2a8c21d1c132a6f89f4819908 [0,1,0,1,0,0|2,0,0]=4 7991 B9R1.154 C[C@@H]1C[C@H](N1CCO)C 65c5c033225c43374951d48ff15f0d42 [0,1,0,1,0,0|1,0,0]=3 7992 B9R1.154 C[C@@H]1C[C@H](N1CCS)C 827f53560c341da87377d5829d42ef3b [0,1,0,1,0,0|1,1,0]=4 7993 B9R1.154 C[C@H]1C[C@@H](N1CCF)C dc2ea325c0a3e4753b1eebf5898ed6f1 [0,1,0,1,0,0|2,0,0]=4 7994 B9R1.154 C[C@H]1C[C@@H](N1CCO)C 8d2ffb6b3a5c00c14cd5c069a2b86bd1 [0,1,0,1,0,0|1,0,0]=3 7995 B9R1.154 C[C@H]1C[C@@H](N1CCS)C 9d9243023687b58b8c1dfdaee834ecc8 [0,1,0,1,0,0|1,1,0]=4 7996 B9R1.4 CCC1CCN1CCF e83832e76db1764f085fa01a2d26e7f4 [0,1,0,1,0,0|2,0,0]=4 7997 B9R1.4 CCC1CCN1CCO 42e0c0d6b21111978f6a52e5b99908e1 [0,1,0,1,0,0|1,0,0]=3 7998 B9R1.4 CCC1CCN1CCS 02f96558439bcb2cab2f5e51ee0e1ee0 [0,1,0,1,0,0|1,1,0]=4 7999 B9R1.4 CCC1CCN1COC a0151a3c3e58bd85c763dd3a1a9a1267 [0,1,0,1,0,0|2,0,0]=4 8000 B9R1.4 CCCN1CCC1CC ffd208b29fec7bd4973f3c2e2df945a8 [0,1,0,1,0,0|2,0,0]=4 8001 B9R1.4 CCCN1CCC1CO 33129f2326759bd9720a53e2ca2c6bf6 [0,1,0,1,0,0|1,0,0]=3 8002 B9R1.4 CCCN1CC[C@@H]1CO e1b1e89d7dc4e0489358392e42c76f69 [0,1,0,1,0,0|1,0,0]=3 8003 B9R1.4 CCCN1CC[C@H]1CO d7949bf66e85eea0dd23f24feebae878 [0,1,0,1,0,0|1,0,0]=3 8004 B9R1.4 CCN1CCC1CCO 8ae3244fa8f43e0a305689cf5a724afa [0,1,0,1,0,0|1,0,0]=3 8005 B9R1.4 CCN1CCC1COC e67d05205d1bdb3e9257bbabd5608dd9 [0,1,0,1,0,0|2,0,0]=4 8006 B9R1.4 CCN1CC[C@@H]1COC 6f30b4052ce34d38b3a5648c96c1f144 [0,1,0,1,0,0|2,0,0]=4 8007 B9R1.4 CCN1CC[C@H]1COC ccab33799af8fdd6316402dcaac2513e [0,1,0,1,0,0|2,0,0]=4 8008 B9R1.4 CCNC1CCC1OC 0f664223af5b60ab9cdbf5ed461a859a [0,1,0,1,0,0|2,0,0]=4 8009 B9R1.4 CCN[C@@H]1CC[C@@H]1OC 99902442d880cad5b69ba19b750ed789 [0,1,0,1,0,0|2,0,0]=4 8010 B9R1.4 CCN[C@@H]1CC[C@H]1OC 32e0f6cd631da980c7182d0387843a2c [0,1,0,1,0,0|2,0,0]=4 8011 B9R1.4 CCN[C@H]1CC[C@@H]1OC b22b19141bf08ebb5c748150dd50aa85 [0,1,0,1,0,0|2,0,0]=4 8012 B9R1.4 CCN[C@H]1CC[C@H]1OC dfe876a2e1fdb14f3260fce8b603d7f5 [0,1,0,1,0,0|2,0,0]=4 8013 B9R1.4 COC1CCC1NCO 34d3b5473eca3a454c72229f2fb6c05d [0,1,0,1,0,0|2,0,0]=4 8014 B9R1.4 COCC1CCN1CO 107ad71ef932c9ae80d0f40b139b7c82 [0,1,0,1,0,0|2,0,0]=4 8015 B9R1.4 COCN1CCC1CO d24cece747661acb116b0fcbe2ec885e [0,1,0,1,0,0|2,0,0]=4 8016 B9R1.4 COCN1CC[C@@H]1CO f90cc9458de36233989af8de9b86db49 [0,1,0,1,0,0|2,0,0]=4 8017 B9R1.4 COCN1CC[C@H]1CO 2b438a549028c0f01754e94e4361318b [0,1,0,1,0,0|2,0,0]=4 8018 B9R1.4 COC[C@@H]1CCN1CO feb0ea403c0f6c4cfa4fa6bd61db4087 [0,1,0,1,0,0|2,0,0]=4 8019 B9R1.4 COC[C@H]1CCN1CO dd01148dd3f31f57fd6751d09527515c [0,1,0,1,0,0|2,0,0]=4 8020 B9R1.4 CO[C@@H]1CC[C@@H]1NCO aebf712730d38ff289bdefc83961f3cc [0,1,0,1,0,0|2,0,0]=4 8021 B9R1.4 CO[C@@H]1CC[C@H]1NCO 42b9c93b828ecd71d537c082d032c141 [0,1,0,1,0,0|2,0,0]=4 8022 B9R1.4 CO[C@H]1CC[C@@H]1NCO c82d40da3783ac1b8f39fd9bab6d973a [0,1,0,1,0,0|2,0,0]=4 8023 B9R1.4 CO[C@H]1CC[C@H]1NCO e14b5cfcb22d221e863e424c1e1ada80 [0,1,0,1,0,0|2,0,0]=4 8024 B9R1.4 CSCN1CCC1CO d7f609e3775eb225212784a96f63e712 [0,1,0,1,0,0|2,0,0]=4 8025 B9R1.4 CSCN1CC[C@@H]1CO de2a1fa0da671df0d7f70d7fd00e0f7d [0,1,0,1,0,0|2,0,0]=4 8026 B9R1.4 CSCN1CC[C@H]1CO 202969e70e5903fdc064977db5226933 [0,1,0,1,0,0|2,0,0]=4 8027 B9R1.4 OCC1CCN1CCF 5674d6d4d2eadaff4a99e28036db5213 [0,1,0,1,0,0|2,0,0]=4 8028 B9R1.4 OCC1CCN1CCS b8279c68a4da293667d0570327b54e30 [0,1,0,1,0,0|1,1,0]=4 8029 B9R1.4 OCCC1CCN1CF 3fdc8496d9fed62eaffea4422fb302ea [0,1,0,1,0,0|2,0,0]=4 8030 B9R1.4 OCCC1CCN1CO 15957b99b4273cedff8b22d89d65d632 [0,1,0,1,0,0|2,0,0]=4 8031 B9R1.4 OCCN1CCC1CO 011825fd67d2f5a014372922816538a7 [0,1,0,1,0,0|1,0,0]=3 8032 B9R1.4 OCCN1CC[C@@H]1CO 6395e22f27034fd1b06c1559ef935719 [0,1,0,1,0,0|1,0,0]=3 8033 B9R1.4 OCCN1CC[C@H]1CO ae67e3e463fbdd48944d12027dc9b428 [0,1,0,1,0,0|1,0,0]=3 8034 B9R1.4 OC[C@@H]1CCN1CCF 00619a891d7cc54cf406f14f8c07c34c [0,1,0,1,0,0|2,0,0]=4 8035 B9R1.4 OC[C@@H]1CCN1CCS 365ad4e477f16e1a1f8ac72ad958dcf2 [0,1,0,1,0,0|1,1,0]=4 8036 B9R1.4 OC[C@H]1CCN1CCF 85142badeedecb60f7cab01d0fe071bc [0,1,0,1,0,0|2,0,0]=4 8037 B9R1.4 OC[C@H]1CCN1CCS b53de1ac48adab36fb41635ab3f19244 [0,1,0,1,0,0|1,1,0]=4 8038 B9R1.14 CCC1CCCN1CC c1e0af4df28c9d45887eabd6c6ae8592 [0,1,0,1,0,0|2,0,0]=4 8039 B9R1.14 CCC1CCCN1CF 385e79d6466f62510ea4063bcf54b747 [0,1,0,1,0,0|2,0,0]=4 8040 B9R1.14 CCC1CCCN1CO c6b0552297ecd81b340673988242e49e [0,1,0,1,0,0|1,0,0]=3 8041 B9R1.14 CCN1CC=CC1CO 588d35e44178b5f5c903ec1be725dc4b [0,1,0,1,0,0|1,0,1]=4 8042 B9R1.14 CCN1CCCC1CO 4cc70a524b6a49ae6ff776db26f663d6 [0,1,0,1,0,0|1,0,0]=3 8043 B9R1.14 CCN1CCCC1OC 9b7034b2ef4a9a1e58e21607d3078475 [0,1,0,1,0,0|2,0,0]=4 8044 B9R1.14 CCN1CCC[C@@H]1CF db8891b9fa42c2d7590f7d287c4f54ce [0,1,0,1,0,0|2,0,0]=4 8045 B9R1.14 CCN1CCC[C@@H]1CO 06f5f2fca38eb9626faec3727a8f59e6 [0,1,0,1,0,0|1,0,0]=3 8046 B9R1.14 CCN1CCC[C@H]1CF cc2d3ec5216c037143c59acbd05341db [0,1,0,1,0,0|2,0,0]=4 8047 B9R1.14 CCN1CCC[C@H]1CO e5330ba4d388a8e39b15a149c876b607 [0,1,0,1,0,0|1,0,0]=3 8048 B9R1.14 CC[C@@H]1CCCN1CC 2ed4b1b5dcff54988a458daa323d3107 [0,1,0,1,0,0|2,0,0]=4 8049 B9R1.14 CC[C@@H]1CCCN1CF 4ad55d995c181345ed4cce2b35ed252b [0,1,0,1,0,0|2,0,0]=4 8050 B9R1.14 CC[C@@H]1CCCN1CO 79102ed9add4e6c642219a59503e87a6 [0,1,0,1,0,0|1,0,0]=3 8051 B9R1.14 COC1CCCN1CO 454d3f0a001dd5173aedaf88873c3cfd [0,1,0,1,0,0|2,0,0]=4 8052 B9R1.14 OCC1CCCN1CF fc306af253151b230b6de77036525b79 [0,1,0,1,0,0|2,0,0]=4 8053 B9R1.14 OCC1CCCN1CO 103d237b3832b44e7e113d53d26dd552 [0,1,0,1,0,0|2,0,0]=4 8054 B9R1.14 OCN1CCC[C@@H]1CF a9554f4b6d7737e1bd3bc5c2df97fa25 [0,1,0,1,0,0|2,0,0]=4 8055 B9R1.14 OCN1CCC[C@H]1CF fe4bf6275597cb1757e1e4230066f80f [0,1,0,1,0,0|2,0,0]=4 8056 B9R1.14 OC[C@@H]1CCCN1CF 470a57bb538dd0185efa952370d64394 [0,1,0,1,0,0|2,0,0]=4 8057 B9R1.14 OC[C@@H]1CCCN1CO 28917fb44d92b07cb2f7c9713aa5ae26 [0,1,0,1,0,0|2,0,0]=4 8058 B9R1.14 OC[C@H]1CCCN1CF ef8d5bbd564c6f14760333de8a1e2bc4 [0,1,0,1,0,0|2,0,0]=4 8059 B9R1.14 OC[C@H]1CCCN1CO 2658bc67a778437545d7f113bde26855 [0,1,0,1,0,0|2,0,0]=4 8060 B9R1.16 C#CCCNC1CC1C 2eea2400477c66e55b4a316c3fee1e6d [0,1,0,1,0,0|2,0,0]=4 8061 B9R1.16 C#CCOCC1CC1C 16b56f930ee0928e4f2eb5620d5865eb [0,1,0,1,0,0|1,0,1]=4 8062 B9R1.16 C#CCOC[C@@H]1C[C@@H]1C fa789283ff820bb3a8a2b7eba4e44199 [0,1,0,1,0,0|1,0,1]=4 8063 B9R1.16 C#CCOC[C@@H]1C[C@@H]1F f190c4665fd4b4d07ee271de16f26800 [0,1,0,1,0,0|1,0,1]=4 8064 B9R1.16 C#CCOC[C@@H]1C[C@H]1C f373948c6c33b257ccae9e81190f890e [0,1,0,1,0,0|1,0,1]=4 8065 B9R1.16 C#CCOC[C@@H]1C[C@H]1F 6127a1a7ca5c1a667b8fc4c05f73f105 [0,1,0,1,0,0|1,0,1]=4 8066 B9R1.16 C#CCOC[C@H]1C[C@@H]1C 2e1f85bbcedd254cb251b00254365bda [0,1,0,1,0,0|1,0,1]=4 8067 B9R1.16 C#CCOC[C@H]1C[C@@H]1F 7892314c87731d1ac90bea073bb856ed [0,1,0,1,0,0|1,0,1]=4 8068 B9R1.16 C#CCOC[C@H]1C[C@H]1F df3ac268992991eb2b1b9858683c971f [0,1,0,1,0,0|1,0,1]=4 8069 B9R1.16 C=C1CC1COCCC dbf7f65a57254b2e5c70dceecfec1a08 [0,1,0,1,0,0|1,0,1]=4 8070 B9R1.16 C=C1CC1COCCF 6f8c8ca36aa59dbcc84a3d9792058d84 [0,1,0,1,0,0|1,0,1]=4 8071 B9R1.16 C=C1CC1COCCS 4f763949909bc0572a44a3e4eec462fe [0,1,0,1,0,0|0,1,1]=4 8072 B9R1.16 C=CCCNC1CC1C 747a4f501e0865aab3cf0c231ab14d8f [0,1,0,1,0,0|2,0,0]=4 8073 B9R1.16 C=CCOCC1CC1C 647676f58a9166a3b1d49e87f83fd548 [0,1,0,1,0,0|1,0,1]=4 8074 B9R1.16 C=CCOC[C@@H]1C[C@@H]1C f69e8d4df7003fd1349e7e58d7969c45 [0,1,0,1,0,0|1,0,1]=4 8075 B9R1.16 C=CCOC[C@@H]1C[C@@H]1F 7796cc5a868fcc409d505f3f3ba7e1dd [0,1,0,1,0,0|1,0,1]=4 8076 B9R1.16 C=CCOC[C@@H]1C[C@H]1C abf188b83ca4f21c698711925d337650 [0,1,0,1,0,0|1,0,1]=4 8077 B9R1.16 C=CCOC[C@@H]1C[C@H]1F dcac6b55c2af5908b4700787c08f2d93 [0,1,0,1,0,0|1,0,1]=4 8078 B9R1.16 C=CCOC[C@H]1C[C@@H]1C eea92b22b51f725ae81f9a25c2a44125 [0,1,0,1,0,0|1,0,1]=4 8079 B9R1.16 C=CCOC[C@H]1C[C@@H]1F 6cb95cbde73e591c859a99a47ca0a15f [0,1,0,1,0,0|1,0,1]=4 8080 B9R1.16 C=CCOC[C@H]1C[C@H]1F c270562422747355ab6e2e3e79bc901a [0,1,0,1,0,0|1,0,1]=4 8081 B9R1.16 CC1CC1COCC#N c8a955f90c82cc8638cd4125a87c11a5 [0,1,0,1,0,0|1,0,1]=4 8082 B9R1.16 CC1CC1COCC=O e38c4912a5bd244cfef6cdfcd630eadf [0,1,0,1,0,0|0,0,2]=4 8083 B9R1.16 CC1CC1COCCF 266fe15c06064606cbd167048212dedb [0,1,0,1,0,0|1,0,0]=3 8084 B9R1.16 CC1CC1COCCS 2b148c50b54d5a87491df543eeaa7639 [0,1,0,1,0,0|0,1,0]=3 8085 B9R1.16 CC1CC1NC/C=C\O 9a9e5e2582457eba9ff0336079c77c3b [0,1,0,1,0,0|1,0,1]=4 8086 B9R1.16 CC1CC1NCCC#N 6d0273f4ff35d8bcb8b556bbb50124d8 [0,1,0,1,0,0|2,0,0]=4 8087 B9R1.16 CC1CC1NCCC=O 41a62504559929453219af6a8e069423 [0,1,0,1,0,0|1,0,1]=4 8088 B9R1.16 CC1CC1NCCCF 9ca80e210e88dea814df8fc7a0db54d3 [0,1,0,1,0,0|2,0,0]=4 8089 B9R1.16 CC1CC1NCCCO d8cc7bd276ec3b4c8d2a48d69b32c773 [0,1,0,1,0,0|1,0,0]=3 8090 B9R1.16 CC1CC1NCCCS c2202d9abd5c52aa424081dad945c990 [0,1,0,1,0,0|1,1,0]=4 8091 B9R1.16 CCCCNC1CC1C a9f119cd62245c49084df191cf276a31 [0,1,0,1,0,0|2,0,0]=4 8092 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2aebb5e1c982d5c8d293c1bfda14509f [0,1,0,1,0,0|2,0,0]=4 8093 B9R1.16 CCCCN[C@H]1C[C@@H]1F bfe1bd0d6ae8ac979141712cd833b460 [0,1,0,1,0,0|2,0,0]=4 8094 B9R1.16 CCCCN[C@H]1C[C@H]1F 5a5391ab3b60bef6b1b57591c4474e52 [0,1,0,1,0,0|2,0,0]=4 8095 B9R1.16 CCCOCC1CC1C c479ea01ec45b145ea97e5b216b7a88d [0,1,0,1,0,0|1,0,0]=3 8096 B9R1.16 CCCOC[C@@H]1C[C@@H]1C bdf6ceafbda00ae5a4903064a4fcd53e [0,1,0,1,0,0|1,0,0]=3 8097 B9R1.16 CCCOC[C@@H]1C[C@@H]1F d132004181c7bdb29bc1dde7e4268e55 [0,1,0,1,0,0|1,0,0]=3 8098 B9R1.16 CCCOC[C@@H]1C[C@H]1C dadf59e50fe3f803829c2afc85967616 [0,1,0,1,0,0|1,0,0]=3 8099 B9R1.16 CCCOC[C@@H]1C[C@H]1F fec88380b851024ba4b85a3b2e88229b [0,1,0,1,0,0|1,0,0]=3 8100 B9R1.16 CCCOC[C@H]1C[C@@H]1C 546df66a4867dd12875fd17718577b41 [0,1,0,1,0,0|1,0,0]=3 8101 B9R1.16 CCCOC[C@H]1C[C@@H]1F 5379246ca5d77ffb70f6307af1871576 [0,1,0,1,0,0|1,0,0]=3 8102 B9R1.16 CCCOC[C@H]1C[C@H]1F 395e27386c12a30f281a5a4b9292430d [0,1,0,1,0,0|1,0,0]=3 8103 B9R1.16 CCOCNC1CC1C de51088357360e67c1a40984c1827a9b [0,1,0,1,0,0|2,0,0]=4 8104 B9R1.16 COCCNC1CC1C 133a4efb8d416044cefc3c46c11db452 [0,1,0,1,0,0|1,0,0]=3 8105 B9R1.16 COCCN[C@@H]1C[C@H]1F 883805c2417fe8cc2cabd3daa35687c2 [0,1,0,1,0,0|2,0,0]=4 8106 B9R1.16 COCCN[C@H]1C[C@@H]1F fac92c683123179885f3ee4dc151be96 [0,1,0,1,0,0|2,0,0]=4 8107 B9R1.16 COCCN[C@H]1C[C@H]1F e6ddda511efbd50bd3e5dd18c79935eb [0,1,0,1,0,0|2,0,0]=4 8108 B9R1.16 COCOCC1CC1C d6b311794b4aaa0e8f8098e0bde7b46d [0,1,0,1,0,0|2,0,0]=4 8109 B9R1.16 COCOC[C@@H]1C[C@@H]1C 488c929dc0f85aee97af05ade00d245c [0,1,0,1,0,0|2,0,0]=4 8110 B9R1.16 COCOC[C@@H]1C[C@@H]1F dee3a235c81a4f59b8673544c9256479 [0,1,0,1,0,0|2,0,0]=4 8111 B9R1.16 COCOC[C@@H]1C[C@H]1C 09f772f6ea23d80f61c114b8908d42ae [0,1,0,1,0,0|2,0,0]=4 8112 B9R1.16 COCOC[C@@H]1C[C@H]1F 601e9c20fd85280665041ec3d8b76674 [0,1,0,1,0,0|2,0,0]=4 8113 B9R1.16 COCOC[C@H]1C[C@@H]1C b39a61efc2d7463fec304ea35c8bc99e [0,1,0,1,0,0|2,0,0]=4 8114 B9R1.16 COCOC[C@H]1C[C@@H]1F dbcc7d2481060e838eca870097e40ccb [0,1,0,1,0,0|2,0,0]=4 8115 B9R1.16 COCOC[C@H]1C[C@H]1F f98879d82d6f9282957b778d43e80b5d [0,1,0,1,0,0|2,0,0]=4 8116 B9R1.16 CSCCNC1CC1C dffdc83c807376401a1bc40ddab7e6a4 [0,1,0,1,0,0|1,1,0]=4 8117 B9R1.16 CSCOCC1CC1C 8ddcaa29cfd0ead351f1e2c053e5a7dc [0,1,0,1,0,0|2,0,0]=4 8118 B9R1.16 CSCOC[C@@H]1C[C@@H]1C 516a40840474d7755434351b98f6a973 [0,1,0,1,0,0|2,0,0]=4 8119 B9R1.16 CSCOC[C@@H]1C[C@@H]1F 5258f6bf10588808467a505ca0c061a2 [0,1,0,1,0,0|2,0,0]=4 8120 B9R1.16 CSCOC[C@@H]1C[C@H]1C 292706a4e7a746b04a3be1152507c69a [0,1,0,1,0,0|2,0,0]=4 8121 B9R1.16 CSCOC[C@@H]1C[C@H]1F ffc977299251c52199d7d0bc13d29e67 [0,1,0,1,0,0|2,0,0]=4 8122 B9R1.16 CSCOC[C@H]1C[C@@H]1C a57ad53e6815c11f36b689db9b0571da [0,1,0,1,0,0|2,0,0]=4 8123 B9R1.16 CSCOC[C@H]1C[C@@H]1F 2fa079192f22d77e9408a163ff6d39fd [0,1,0,1,0,0|2,0,0]=4 8124 B9R1.16 CSCOC[C@H]1C[C@H]1F 1cd5a7caf7f81e52936848c03651e36b [0,1,0,1,0,0|2,0,0]=4 8125 B9R1.16 C[C@@H]1C[C@H]1COCC#N 9ea60ea97131c526a96ba9ca56650991 [0,1,0,1,0,0|1,0,1]=4 8126 B9R1.16 C[C@@H]1C[C@H]1COCC=O 7ae74dfc03906b5b41f7f9d5bbdb763b [0,1,0,1,0,0|0,0,2]=4 8127 B9R1.16 C[C@@H]1C[C@H]1COCCF d1171789787b6cc0ed65640ea5a8d486 [0,1,0,1,0,0|1,0,0]=3 8128 B9R1.16 C[C@@H]1C[C@H]1COCCS 06c0fa3c70b7b66f49ec3a5a7a326b17 [0,1,0,1,0,0|0,1,0]=3 8129 B9R1.16 C[C@H]1C[C@@H]1COCC#N 235406fd3797df5a60cf492195d03bf6 [0,1,0,1,0,0|1,0,1]=4 8130 B9R1.16 C[C@H]1C[C@@H]1COCC=O b02f0ce03a967d9b5a7484bce5693d9b [0,1,0,1,0,0|0,0,2]=4 8131 B9R1.16 C[C@H]1C[C@@H]1COCCF 084977fd9e0f968ec75c4bff083775f5 [0,1,0,1,0,0|1,0,0]=3 8132 B9R1.16 C[C@H]1C[C@@H]1COCCS f3c942ded15db0f45b05c8d0188f32db [0,1,0,1,0,0|0,1,0]=3 8133 B9R1.16 C[C@H]1C[C@H]1COCC#N 4ad1bc5fba485544931a8a304d6f09d6 [0,1,0,1,0,0|1,0,1]=4 8134 B9R1.16 C[C@H]1C[C@H]1COCC=O c17ac892c3cf503bcc9858e0bcb45921 [0,1,0,1,0,0|0,0,2]=4 8135 B9R1.16 C[C@H]1C[C@H]1COCCF 16f379cefdb114ef65e1f531f2e8589d [0,1,0,1,0,0|1,0,0]=3 8136 B9R1.16 C[C@H]1C[C@H]1COCCS 059a57000ca7d247656e3ba4479bdc13 [0,1,0,1,0,0|0,1,0]=3 8137 B9R1.16 FCCOC[C@@H]1C[C@@H]1F b759d1b1ff4d511edba3c9f78c3da943 [0,1,0,1,0,0|1,0,0]=3 8138 B9R1.16 FCCOC[C@@H]1C[C@H]1F 905e09965131d9c4f037b82c848db077 [0,1,0,1,0,0|1,0,0]=3 8139 B9R1.16 FCCOC[C@H]1C[C@@H]1F 5eda928ca5b64a500195270379d0a685 [0,1,0,1,0,0|1,0,0]=3 8140 B9R1.16 FCCOC[C@H]1C[C@H]1F 61f6d60eb4949fb083e2032ded51bd64 [0,1,0,1,0,0|1,0,0]=3 8141 B9R1.16 F[C@@H]1C[C@@H]1COCCS 748c9070ba05e90139cc3fff16deb480 [0,1,0,1,0,0|0,1,0]=3 8142 B9R1.16 F[C@@H]1C[C@H]1COCCS edfc8046bf3f7fae222133ed1bab178d [0,1,0,1,0,0|0,1,0]=3 8143 B9R1.16 F[C@H]1C[C@@H]1COCCS 223a86b49540efd9daf10160b8fdd3f6 [0,1,0,1,0,0|0,1,0]=3 8144 B9R1.16 F[C@H]1C[C@H]1COCCS cef300bda1788b8c776f1813c5bdf6eb [0,1,0,1,0,0|0,1,0]=3 8145 B9R1.16 N#CCOC[C@@H]1C[C@@H]1F d1745c61c2e7f66a8ac891ba1879cc37 [0,1,0,1,0,0|1,0,1]=4 8146 B9R1.16 N#CCOC[C@@H]1C[C@H]1F 31ba7ed3cf0736a88a891534b270d349 [0,1,0,1,0,0|1,0,1]=4 8147 B9R1.16 N#CCOC[C@H]1C[C@@H]1F d85152670e803e59251d572fa136c046 [0,1,0,1,0,0|1,0,1]=4 8148 B9R1.16 N#CCOC[C@H]1C[C@H]1F f00708f6a1ce452b82e8161afa7dda74 [0,1,0,1,0,0|1,0,1]=4 8149 B9R1.16 O=CCOC[C@@H]1C[C@@H]1F 2599da318090007136ea8223a4e64677 [0,1,0,1,0,0|0,0,2]=4 8150 B9R1.16 O=CCOC[C@@H]1C[C@H]1F b0dec97c30095db53fb117109e8dcb49 [0,1,0,1,0,0|0,0,2]=4 8151 B9R1.16 O=CCOC[C@H]1C[C@@H]1F e66145835b4bc6e6d4f422015aeb3dd4 [0,1,0,1,0,0|0,0,2]=4 8152 B9R1.16 O=CCOC[C@H]1C[C@H]1F 9ebf315b16b29ab352ce1122a8ed679d [0,1,0,1,0,0|0,0,2]=4 8153 B9R1.16 OCCCN[C@@H]1C[C@H]1F 7f4dbe57d8b525dae0c9377bdfb059b9 [0,1,0,1,0,0|2,0,0]=4 8154 B9R1.16 OCCCN[C@H]1C[C@@H]1F fb8a6e3a23cdbdf46e860e7830affece [0,1,0,1,0,0|2,0,0]=4 8155 B9R1.16 OCCCN[C@H]1C[C@H]1F 4cb07215d5fbccf1fab9d4626af36c33 [0,1,0,1,0,0|2,0,0]=4 8156 B9R1.17 BrCCNCC1CCC1 c5d9b1cf80ea4b2a032edd339daeab5d [0,1,0,1,0,0|2,0,0]=4 8157 B9R1.17 BrCCNCC1CCO1 1dff4bc3707e08aec8c70e0d90856f9a [0,1,0,1,0,0|2,0,0]=4 8158 B9R1.17 BrCCNCC1COC1 c74a8c4e6d4e8b537750895f5c5efba1 [0,1,0,1,0,0|2,0,0]=4 8159 B9R1.17 BrCCNC[C@@H]1CCO1 920cee32a9ec116f338e8c92cc610426 [0,1,0,1,0,0|2,0,0]=4 8160 B9R1.17 BrCCNC[C@H]1CCO1 f3dc235418b4fb0ccde62e8ccc45c601 [0,1,0,1,0,0|2,0,0]=4 8161 B9R1.17 C#CCCNC1CCC1 b4197dee1c7decff2aedb72ed7a3243f [0,1,0,1,0,0|2,0,0]=4 8162 B9R1.17 C#CCCOC1CCC1 9ba58a776ae83d3d7fc7119838c2a535 [0,1,0,1,0,0|1,0,0]=3 8163 B9R1.17 C#CCCOC1COC1 6412535e47c2e1d85b10c68ef9dab37e [0,1,0,1,0,0|0,0,2]=4 8164 B9R1.17 C#CCCOC1CSC1 ea7f31a0916fc278c85919980a21be61 [0,1,0,1,0,0|2,0,0]=4 8165 B9R1.17 C#CCOCC1CCC1 bc39f92c6df4792a47a7662ccc139a17 [0,1,0,1,0,0|1,0,1]=4 8166 B9R1.17 C#CCOCC1CCO1 953f228ddf315c0efd3b9a1fc98b59f3 [0,1,0,1,0,0|1,0,1]=4 8167 B9R1.17 C#CCOCC1COC1 3ff9f33572085b855d3daccf02117456 [0,1,0,1,0,0|1,0,1]=4 8168 B9R1.17 C#CCOCC1CSC1 766c324389c3952bbfb3f3621d1e01bb [0,1,0,1,0,0|1,0,1]=4 8169 B9R1.17 C#CCOC[C@@H]1CCO1 2b501806a2a7af64a9cfa44ea73845a9 [0,1,0,1,0,0|1,0,1]=4 8170 B9R1.17 C#CCOC[C@H]1CCO1 69be7240f9cc9096cfbd4ff2fe385aa0 [0,1,0,1,0,0|1,0,1]=4 8171 B9R1.17 C/C=C/COC1CCC1 6e99de4f67d290634af940908f88ebdb [0,1,0,1,0,0|1,0,1]=4 8172 B9R1.17 C/C=C/COC1COC1 41b2cb8ecec826a8abca29e4282c61ce [0,1,0,1,0,0|0,0,2]=4 8173 B9R1.17 C/C=C\COC1CCC1 6e8f80104dc0d1622838cbb39d9afcf5 [0,1,0,1,0,0|1,0,1]=4 8174 B9R1.17 C/C=C\COC1COC1 5069f0777a6a3e4b3ae7e9fb622e8027 [0,1,0,1,0,0|0,0,2]=4 8175 B9R1.17 C=CCCNC1CCC1 b2ca0b88deeb83a7c2d61204f59e8ff3 [0,1,0,1,0,0|2,0,0]=4 8176 B9R1.17 C=CCCOC1CCC1 c328b7599efb51dd1bfb7291c6261276 [0,1,0,1,0,0|1,0,0]=3 8177 B9R1.17 C=CCCOC1COC1 f3659543d188144d32f15b2a20d2358f [0,1,0,1,0,0|0,0,2]=4 8178 B9R1.17 C=CCCOC1CSC1 229b04254e688d2702c1b677dbb57d1e [0,1,0,1,0,0|2,0,0]=4 8179 B9R1.17 C=CCOCC1CCC1 5c7cdd4f65c4652a52a56bde68d5c494 [0,1,0,1,0,0|1,0,1]=4 8180 B9R1.17 C=CCOCC1CCO1 d2ecf56156cb151cd126d16ea5f8f5ae [0,1,0,1,0,0|1,0,1]=4 8181 B9R1.17 C=CCOCC1COC1 e3b41b1391810f808171aa3b886de59b [0,1,0,1,0,0|1,0,1]=4 8182 B9R1.17 C=CCOCC1CSC1 a904dd09d056f265db89f7dfeaebb752 [0,1,0,1,0,0|1,0,1]=4 8183 B9R1.17 C=CCOC[C@@H]1CCO1 dad0347deeb6c5259f051c02e5155db1 [0,1,0,1,0,0|1,0,1]=4 8184 B9R1.17 C=CCOC[C@H]1CCO1 1d5c5ccac07a016f5e10eaa5e70dd8eb [0,1,0,1,0,0|1,0,1]=4 8185 B9R1.17 CC#CCOC1CCC1 983b757cea964e89c0c7e096ee6cd63b [0,1,0,1,0,0|1,0,1]=4 8186 B9R1.17 CC#CCOC1COC1 8a796cfb70f56e035276bf92f862e6cc [0,1,0,1,0,0|0,0,2]=4 8187 B9R1.17 CC=CCOC1CCC1 e55c4a09137b63cab559305c3d0fa528 [0,1,0,1,0,0|1,0,1]=4 8188 B9R1.17 CC=CCOC1COC1 2ae3280f15fc898c7fe4253cc4cf830a [0,1,0,1,0,0|0,0,2]=4 8189 B9R1.17 CCCCCN1CCC1 035938028a393638df89aff148721c60 [0,1,0,1,0,0|2,0,0]=4 8190 B9R1.17 CCCCNC1CCC1 5753024b42e366bf14659fd025685655 [0,1,0,1,0,0|2,0,0]=4 8191 B9R1.17 CCCCNC1COC1 be416a5e3d517550a19b07f3c7e21d96 [0,1,0,1,0,0|1,0,0]=3 8192 B9R1.17 CCCCOC1CCC1 183c0351678811d787cc2d1bcaa60b23 [0,1,0,1,0,0|1,0,0]=3 8193 B9R1.17 CCCCOC1COC1 461fd93b53e163ad4e7596590bb10356 [0,1,0,1,0,0|0,0,0]=2 8194 B9R1.17 CCCCOC1CSC1 bfd4085a205754e02760a9623d9e9ee3 [0,1,0,1,0,0|0,1,0]=3 8195 B9R1.17 CCCNCC1CCC1 c55f078a4591dc6bcef7e0f4bb7d93c0 [0,1,0,1,0,0|2,0,0]=4 8196 B9R1.17 CCCNCC1CCO1 787b259f563a64412a05f6375c510307 [0,1,0,1,0,0|1,0,0]=3 8197 B9R1.17 CCCNCC1COC1 9e70842492f5abe047d32cd9a431660c [0,1,0,1,0,0|2,0,0]=4 8198 B9R1.17 CCCNC[C@@H]1CCO1 09e702ada7d1001485e8ef84f376d413 [0,1,0,1,0,0|1,0,0]=3 8199 B9R1.17 CCCNC[C@H]1CCO1 cff33eb3b6a9e99c0c6a161e680951b7 [0,1,0,1,0,0|1,0,0]=3 8200 B9R1.17 CCCOCC1CCC1 6bc97c6b8b74b4afb6348dbcd6370478 [0,1,0,1,0,0|1,0,0]=3 8201 B9R1.17 CCCOCC1CCO1 dce9304902398e33f033a8ebfca20c53 [0,1,0,1,0,0|1,0,0]=3 8202 B9R1.17 CCCOCC1COC1 51179db10ee449120577f8bb7f6d1912 [0,1,0,1,0,0|1,0,0]=3 8203 B9R1.17 CCCOCC1CSC1 64a1c8278d20c100c180e7544e8bcc71 [0,1,0,1,0,0|1,0,0]=3 8204 B9R1.17 CCCOC[C@@H]1CCO1 c245ae24508202032a63f9f16acb84cf [0,1,0,1,0,0|1,0,0]=3 8205 B9R1.17 CCCOC[C@H]1CCO1 41d8fefb0693f7efdbac57d0fec29667 [0,1,0,1,0,0|1,0,0]=3 8206 B9R1.17 CCNCCC1CCC1 2a6d507a82730c6232a4872c109a0b5c [0,1,0,1,0,0|2,0,0]=4 8207 B9R1.17 CCNCCC1CCO1 4ae5fe85c000a9c5bb25d4ff5bb61f46 [0,1,0,1,0,0|1,0,0]=3 8208 B9R1.17 CCNCCC1COC1 fef1783a53001c5a7436fea50261b718 [0,1,0,1,0,0|2,0,0]=4 8209 B9R1.17 CCNCCN1CCC1 556e33e8ede4c0ad9da0bf6af621efac [0,1,0,1,0,0|2,0,0]=4 8210 B9R1.17 CCNCC[C@@H]1CCO1 87fce7fd72273e8060816918b85a2637 [0,1,0,1,0,0|1,0,0]=3 8211 B9R1.17 CCOCCC1CCC1 b8fb156ada576d4ff345af9850e688ed [0,1,0,1,0,0|2,0,0]=4 8212 B9R1.17 CCOCCC1CCO1 cd6091d78b963fcc0d69fc11334e4cc1 [0,1,0,1,0,0|1,0,0]=3 8213 B9R1.17 CCOCCC1COC1 2c1aa299d046f19075b4f55753eb4b56 [0,1,0,1,0,0|2,0,0]=4 8214 B9R1.17 CCOCCN1CCC1 8b221fbed4e8943c619f9360487fb6c6 [0,1,0,1,0,0|2,0,0]=4 8215 B9R1.17 CCOCC[C@@H]1CCO1 5a8cf1d590ea701c17ab71cbcce8b435 [0,1,0,1,0,0|1,0,0]=3 8216 B9R1.17 CCOCC[C@H]1CCO1 585e9080fae90924dbee753be634e6b9 [0,1,0,1,0,0|1,0,0]=3 8217 B9R1.17 CCOCNC1CCC1 4f1473619a74c9828ae72b34cf229eb0 [0,1,0,1,0,0|2,0,0]=4 8218 B9R1.17 CCOCNC1COC1 ecd40872ac8756db0c49504c568d6bbd [0,1,0,1,0,0|2,0,0]=4 8219 B9R1.17 CCOCOC1CCC1 d555f3d99e744a2e782bfe548b2aa1f6 [0,1,0,1,0,0|1,0,0]=3 8220 B9R1.17 CCOCOC1COC1 127ec08ad595e51c5a130ac4bf90e0ce [0,1,0,1,0,0|1,0,0]=3 8221 B9R1.17 CCOCOC1CSC1 eb5c064c031891b0a114ac27d367fc6e [0,1,0,1,0,0|1,1,0]=4 8222 B9R1.17 CCSCCN1CCC1 2a06e953109026885e9b61637c22755a [0,1,0,1,0,0|2,0,0]=4 8223 B9R1.17 COCCCN1CCC1 f588b6aca63e709b96869fb6f0aa7bc2 [0,1,0,1,0,0|2,0,0]=4 8224 B9R1.17 COCCNC1CCC1 9d9583ce5997bdee2104887224bb3d8d [0,1,0,1,0,0|1,0,0]=3 8225 B9R1.17 COCCNC1COC1 d8f698057eaca1af46044ccef78b8ad7 [0,1,0,1,0,0|2,0,0]=4 8226 B9R1.17 COCCOC1CCC1 714762c7a2374ffedaa6396ba07bd982 [0,1,0,1,0,0|0,0,0]=2 8227 B9R1.17 COCCOC1COC1 3639ad178856fe0b1db870d552826c41 [0,1,0,1,0,0|1,0,0]=3 8228 B9R1.17 COCCOC1CSC1 e1ff602505eb9c90db343314f67d4807 [0,1,0,1,0,0|1,0,0]=3 8229 B9R1.17 COCNCC1CCC1 d81cbd03260e96d0b41898fa81931322 [0,1,0,1,0,0|2,0,0]=4 8230 B9R1.17 COCNCC1CCO1 c399d5aebb3b013b9ebd1b1ca994628a [0,1,0,1,0,0|2,0,0]=4 8231 B9R1.17 COCNC[C@@H]1CCO1 40637c4f4c07fb7676cc38b7cedaec43 [0,1,0,1,0,0|2,0,0]=4 8232 B9R1.17 COCNC[C@H]1CCO1 52bac1e3216f932e20992bb79d9fc3a2 [0,1,0,1,0,0|2,0,0]=4 8233 B9R1.17 COCOCC1CCC1 8b689d4795025d681e5fff3550f78a35 [0,1,0,1,0,0|2,0,0]=4 8234 B9R1.17 COCOCC1CCO1 09fd28a73ccbc8c638d6f31aa99da7ff [0,1,0,1,0,0|2,0,0]=4 8235 B9R1.17 COCOCC1COC1 a75d862fc1e97fb937b0c89f32e4bf19 [0,1,0,1,0,0|2,0,0]=4 8236 B9R1.17 COCOCC1CSC1 06c20b6484fac5220d45d9071be8c2ca [0,1,0,1,0,0|2,0,0]=4 8237 B9R1.17 COCOC[C@@H]1CCO1 d7f0f17ed91ade35d0560c1aa17c9591 [0,1,0,1,0,0|2,0,0]=4 8238 B9R1.17 COCOC[C@H]1CCO1 52148cb36fe79b54cd4adae0bdb4ff0c [0,1,0,1,0,0|2,0,0]=4 8239 B9R1.17 CSCCCN1CCC1 3c4a1344fe0b06b24fd5489b5ce3405f [0,1,0,1,0,0|2,0,0]=4 8240 B9R1.17 CSCCNC1CCC1 189fc2dffa63ba2422aa25501e65c634 [0,1,0,1,0,0|1,1,0]=4 8241 B9R1.17 CSCCNC1COC1 553e95800b67377f9c5d335aa21d2648 [0,1,0,1,0,0|2,0,0]=4 8242 B9R1.17 CSCCOC1CCC1 ddd6e7c756d1baa703d614ee8e45fe2d [0,1,0,1,0,0|0,1,0]=3 8243 B9R1.17 CSCCOC1COC1 a43fb2989d05440d8d0821d1fc44aa9b [0,1,0,1,0,0|1,0,0]=3 8244 B9R1.17 CSCCOC1CSC1 c3990e9a4db277f5d25753d63d380ebf [0,1,0,1,0,0|1,1,0]=4 8245 B9R1.17 CSCNCC1CCO1 328bf74167d16da0914611f3f3e751dc [0,1,0,1,0,0|2,0,0]=4 8246 B9R1.17 CSCNC[C@@H]1CCO1 3c03b7cc5edaa459ca746f76327098c6 [0,1,0,1,0,0|2,0,0]=4 8247 B9R1.17 CSCNC[C@H]1CCO1 6992e1ef181b45eb16d0516db549e105 [0,1,0,1,0,0|2,0,0]=4 8248 B9R1.17 CSCOCC1CCC1 bedefa5460dd9daf8d601ebd120c7465 [0,1,0,1,0,0|2,0,0]=4 8249 B9R1.17 CSCOCC1CCO1 6c8e2111a3f94134e80bf8dc4d57f591 [0,1,0,1,0,0|2,0,0]=4 8250 B9R1.17 CSCOCC1COC1 a15c7dfe48d7ce79636ced6af4e6a218 [0,1,0,1,0,0|2,0,0]=4 8251 B9R1.17 CSCOCC1CSC1 e7b8e5d1abd524805beface0ae5547c2 [0,1,0,1,0,0|2,0,0]=4 8252 B9R1.17 CSCOC[C@@H]1CCO1 8deef529a0cde32bbd303d6f89fa57ab [0,1,0,1,0,0|2,0,0]=4 8253 B9R1.17 CSCOC[C@H]1CCO1 63e1bb878dc9711500979a8b17c3ea2f [0,1,0,1,0,0|2,0,0]=4 8254 B9R1.17 Cl/C=C/COC1CCC1 e602016f5a5e443848d7a5df1baa050e [0,1,0,1,0,0|1,0,1]=4 8255 B9R1.17 Cl/C=C\COC1CCC1 4c7d9aba40864a175fa3171c252d5776 [0,1,0,1,0,0|1,0,1]=4 8256 B9R1.17 ClC=CCOC1CCC1 a501826c43419f7ae9c7daa1f1ed8e04 [0,1,0,1,0,0|1,0,1]=4 8257 B9R1.17 ClCCCNC1CCC1 5c4c7666294897f8cafd3a1d73fb8fad [0,1,0,1,0,0|2,0,0]=4 8258 B9R1.17 ClCCCNC1COC1 6b71f9e751fceabfba2975809ed783f4 [0,1,0,1,0,0|2,0,0]=4 8259 B9R1.17 FCCCCN1CCC1 2240463599f5eb0155fc7405f9d8b607 [0,1,0,1,0,0|2,0,0]=4 8260 B9R1.17 FCCCNC1CCC1 80f1da3220536b2707c09d0c253405c5 [0,1,0,1,0,0|2,0,0]=4 8261 B9R1.17 FCCCNC1COC1 ea568ab61aef3946c3722f8cd7a23443 [0,1,0,1,0,0|2,0,0]=4 8262 B9R1.17 FCCCOC1CCC1 340a580744ac35b9a16814a461bd6e0b [0,1,0,1,0,0|1,0,0]=3 8263 B9R1.17 FCCCOC1COC1 d36b8533b05be4a3ba7dd78d1e6a381a [0,1,0,1,0,0|1,0,0]=3 8264 B9R1.17 FCCCOC1CSC1 3f6ea7449c7d462a0b22c9db74f06e15 [0,1,0,1,0,0|1,1,0]=4 8265 B9R1.17 FCCNCC1CCC1 31c7e0f59f163fcce52b6e97b11b3c8e [0,1,0,1,0,0|2,0,0]=4 8266 B9R1.17 FCCNCC1CCO1 c2356fe4083d6dda4045dd609df055d2 [0,1,0,1,0,0|2,0,0]=4 8267 B9R1.17 FCCNCC1COC1 af8f2d7665f86c181c0b3937ce2a83a7 [0,1,0,1,0,0|2,0,0]=4 8268 B9R1.17 FCCNC[C@@H]1CCO1 b5f12fdd88c3394d8de30b995577b211 [0,1,0,1,0,0|2,0,0]=4 8269 B9R1.17 FCCNC[C@H]1CCO1 0a213a2c3138e550c08d30de0d830e83 [0,1,0,1,0,0|2,0,0]=4 8270 B9R1.17 FCCOCC1CCC1 82bcce98f73dbc2c6d505f58542894f6 [0,1,0,1,0,0|1,0,0]=3 8271 B9R1.17 FCCOCC1CCO1 7806ad5e6ae70d13ff50ed87dc11629e [0,1,0,1,0,0|1,0,0]=3 8272 B9R1.17 FCCOCC1COC1 ff5d7772622add29a66ca72666febc06 [0,1,0,1,0,0|1,0,0]=3 8273 B9R1.17 FCCOCC1CSC1 dd906c9d4a7103de95582ef7b08481d4 [0,1,0,1,0,0|1,0,0]=3 8274 B9R1.17 FCCOC[C@@H]1CCO1 2671611904c76bc05b4fea8a35610b04 [0,1,0,1,0,0|1,0,0]=3 8275 B9R1.17 FCCOC[C@H]1CCO1 fc45e6858c3c260890fd8931dc56a63e [0,1,0,1,0,0|1,0,0]=3 8276 B9R1.17 FCNCCC1CCC1 b0c41aa4cb1598a48b45fa06a2473206 [0,1,0,1,0,0|2,0,0]=4 8277 B9R1.17 FCNCCC1CCO1 144518ee01df6454c017e83938c924cc [0,1,0,1,0,0|2,0,0]=4 8278 B9R1.17 FCNCC[C@@H]1CCO1 5ad3881689d637c8bee31fd589e2df57 [0,1,0,1,0,0|2,0,0]=4 8279 B9R1.17 FCOCCC1CCC1 ac390425974b2cdfe56e29e455e898e6 [0,1,0,1,0,0|2,0,0]=4 8280 B9R1.17 FCOCCC1CCO1 d59e57b726110ca9e36f8ada8095688c [0,1,0,1,0,0|2,0,0]=4 8281 B9R1.17 FCOCC[C@@H]1CCO1 a0a120f892a8a51ed46fcec4fd5e23f8 [0,1,0,1,0,0|2,0,0]=4 8282 B9R1.17 FCOCC[C@H]1CCO1 5a4f3dd3eceb1bc9b598332b5cd96f0f [0,1,0,1,0,0|2,0,0]=4 8283 B9R1.17 IC#CCOC1CCC1 04fefa9f2c56807cc3f9f177a442e37b [0,1,0,1,0,0|1,0,1]=4 8284 B9R1.17 ICCNCC1CCC1 e2b22335eb840e43e516740089bed064 [0,1,0,1,0,0|2,0,0]=4 8285 B9R1.17 ICCNCC1CCO1 e1f64a14a303aff129bcebd27b7ba3c1 [0,1,0,1,0,0|2,0,0]=4 8286 B9R1.17 ICCNCC1COC1 cc900cb7ac34a1a5550d531106fd84eb [0,1,0,1,0,0|2,0,0]=4 8287 B9R1.17 ICCNC[C@@H]1CCO1 dcb8a7639c353a1d9811ac0836620938 [0,1,0,1,0,0|2,0,0]=4 8288 B9R1.17 ICCNC[C@H]1CCO1 bb6db80cae457f19aeefc098d8af3247 [0,1,0,1,0,0|2,0,0]=4 8289 B9R1.17 N#CCCNC1CCC1 f021285edc4e25c982bb2f6bbb899891 [0,1,0,1,0,0|2,0,0]=4 8290 B9R1.17 N#CCCOC1CCC1 2209711d8d7d8e229a21206a21d85002 [0,1,0,1,0,0|1,0,0]=3 8291 B9R1.17 N#CCCOC1COC1 566047e024b577162c83bb2b7b927ed3 [0,1,0,1,0,0|1,0,1]=4 8292 B9R1.17 N#CCCOC1CSC1 ecfd92fa1b93021ad138070e86a7f834 [0,1,0,1,0,0|2,0,0]=4 8293 B9R1.17 N#CCOCC1CCC1 2af39d79d0689b7748e05434f23a5795 [0,1,0,1,0,0|1,0,1]=4 8294 B9R1.17 N#CCOCC1CCO1 f25b9b523cb7d580490fe4750bf7cbc5 [0,1,0,1,0,0|1,0,1]=4 8295 B9R1.17 N#CCOCC1COC1 3d98978beaa493756364786997ad2ac8 [0,1,0,1,0,0|1,0,1]=4 8296 B9R1.17 N#CCOCC1CSC1 c219ae99dd6eb19507726ac493c58282 [0,1,0,1,0,0|1,0,1]=4 8297 B9R1.17 N#CCOC[C@@H]1CCO1 dcc843ba94a9152b43c67f0457ec3e08 [0,1,0,1,0,0|1,0,1]=4 8298 B9R1.17 N#CCOC[C@H]1CCO1 74cf9c61e5cd4acc2a76814639a5cf8c [0,1,0,1,0,0|1,0,1]=4 8299 B9R1.17 N#CSCOC1CCC1 17c960c4575719e2715acb70933c4cfa [0,1,0,1,0,0|1,0,1]=4 8300 B9R1.17 NOCCNC1CCC1 07bc03fa18c756aa54c78dcb70c9fbf9 [0,1,0,1,0,0|1,0,0]=3 8301 B9R1.17 NOCCNC1COC1 86dd0b7af02dc1512172ceb16cfaaa0e [0,1,0,1,0,0|2,0,0]=4 8302 B9R1.17 O/C=C\CNC1CCC1 f40d8cab44d9002b94a78cf51c0df6fd [0,1,0,1,0,0|1,0,1]=4 8303 B9R1.17 O=CCCNC1CCC1 1b528abcf9d669c9f08c41d2e17cde6d [0,1,0,1,0,0|1,0,1]=4 8304 B9R1.17 O=CCCOC1CCC1 ca0325a8327dd5387ba03d5c4c035d7d [0,1,0,1,0,0|0,0,1]=3 8305 B9R1.17 O=CCCOC1COC1 d07b3b02d2724e6681cc4efe799ddcb6 [0,1,0,1,0,0|1,0,1]=4 8306 B9R1.17 O=CCCOC1CSC1 a9563b190c6825eaeb6555de6452e9bc [0,1,0,1,0,0|1,0,1]=4 8307 B9R1.17 O=CCOCC1CCC1 df39e2693a3babd07be9a7e868d03e5c [0,1,0,1,0,0|0,0,2]=4 8308 B9R1.17 O=CCOCC1CCO1 ad64a9ccf1d143930aaf0f51c2aa134c [0,1,0,1,0,0|0,0,2]=4 8309 B9R1.17 O=CCOCC1COC1 7bc35b7dc9db121591ff34bd5659dce1 [0,1,0,1,0,0|0,0,2]=4 8310 B9R1.17 O=CCOCC1CSC1 0bfd3fdfe369cf64805dbdc14ec6ac93 [0,1,0,1,0,0|0,0,2]=4 8311 B9R1.17 O=CCOC[C@@H]1CCO1 4207442a892712e2538b05a4cbb7aad8 [0,1,0,1,0,0|0,0,2]=4 8312 B9R1.17 O=CCOC[C@H]1CCO1 833770d149e7932d30d50a5f6aa07c80 [0,1,0,1,0,0|0,0,2]=4 8313 B9R1.17 OCCCCN1CCC1 ad673b251846124d682e68d41bd69794 [0,1,0,1,0,0|1,0,0]=3 8314 B9R1.17 OCCCNC1CCC1 2d0a61911a932f7b3f70f4abdaf93c51 [0,1,0,1,0,0|1,0,0]=3 8315 B9R1.17 OCCCNC1COC1 356471ea88243b549b10b78ac2d800d6 [0,1,0,1,0,0|2,0,0]=4 8316 B9R1.17 OCCNCC1CCC1 0db2b43d5f2b6e2bb72f605ddaa5a4a3 [0,1,0,1,0,0|1,0,0]=3 8317 B9R1.17 OCCNCC1CCO1 5028464e120ef5bbb11a14aafd3de825 [0,1,0,1,0,0|1,0,0]=3 8318 B9R1.17 OCCNCC1COC1 b96b65f1b2d0cd311048ce86449174f4 [0,1,0,1,0,0|1,0,0]=3 8319 B9R1.17 OCCNC[C@@H]1CCO1 f094ef575f7552315545ed709ed8f60f [0,1,0,1,0,0|1,0,0]=3 8320 B9R1.17 OCCNC[C@H]1CCO1 660dba03a7ccaedf14fb444c089432c0 [0,1,0,1,0,0|1,0,0]=3 8321 B9R1.17 OCNCCC1CCC1 6cb48fdafa62be8921fec5036f8c18bd [0,1,0,1,0,0|1,0,0]=3 8322 B9R1.17 OCNCCC1CCO1 8baffb14bbf11d8d44289a6f0b70e41a [0,1,0,1,0,0|2,0,0]=4 8323 B9R1.17 OCNCCC1COC1 423ef84aaa0c8e2774581c9ab860b65f [0,1,0,1,0,0|2,0,0]=4 8324 B9R1.17 OCNCCN1CCC1 dc5039ebd012a90385ea6e9867121b2c [0,1,0,1,0,0|2,0,0]=4 8325 B9R1.17 OCNCC[C@@H]1CCO1 33e39c6ec6313b56bda854592489b3f6 [0,1,0,1,0,0|2,0,0]=4 8326 B9R1.17 SCCCNC1CCC1 f2e275defa10f9762786c6b1eafdddda [0,1,0,1,0,0|1,1,0]=4 8327 B9R1.17 SCCCNC1COC1 8308b664da422a71d1f1c39bb544e1e2 [0,1,0,1,0,0|2,0,0]=4 8328 B9R1.17 SCCCOC1CCC1 50e385aa32d0cd52e1165bbaa08dedca [0,1,0,1,0,0|0,1,0]=3 8329 B9R1.17 SCCCOC1COC1 9f1f7ce30ef925530d0e93bfc1964b75 [0,1,0,1,0,0|1,0,0]=3 8330 B9R1.17 SCCCOC1CSC1 c00769cca970ff117f5eedcaa60cf8da [0,1,0,1,0,0|1,1,0]=4 8331 B9R1.17 SCCNCC1CCC1 dc7e26a62e0a22f768fbcb60469c9a75 [0,1,0,1,0,0|1,1,0]=4 8332 B9R1.17 SCCNCC1CCO1 62d2cfc76232713b1f5aba4bbae92435 [0,1,0,1,0,0|1,1,0]=4 8333 B9R1.17 SCCNCC1COC1 5ec5e39d5704cc5f4ca6984f0792e2d2 [0,1,0,1,0,0|1,1,0]=4 8334 B9R1.17 SCCNC[C@@H]1CCO1 47343bf325a765cb0078cca448ce726b [0,1,0,1,0,0|1,1,0]=4 8335 B9R1.17 SCCNC[C@H]1CCO1 464446a1d1393f1a6db7335bb96a7936 [0,1,0,1,0,0|1,1,0]=4 8336 B9R1.17 SCCOCC1CCC1 bf6bded4786a47dd707579e4d889696b [0,1,0,1,0,0|0,1,0]=3 8337 B9R1.17 SCCOCC1CCO1 3153da5b485d0784119997884e35ce3a [0,1,0,1,0,0|0,1,0]=3 8338 B9R1.17 SCCOCC1COC1 5ee71d7e8e5f960e3860232564a9c5ab [0,1,0,1,0,0|0,1,0]=3 8339 B9R1.17 SCCOCC1CSC1 bc1a09a2a7b7b2cfea2140a45273c514 [0,1,0,1,0,0|0,1,0]=3 8340 B9R1.17 SCCOC[C@@H]1CCO1 d979bc04000d38eadddb72ca67633645 [0,1,0,1,0,0|0,1,0]=3 8341 B9R1.17 SCCOC[C@H]1CCO1 97197136988d3a4e8b7a67043ce7b1ac [0,1,0,1,0,0|0,1,0]=3 8342 B9R1.39 C#CCOC1COC1C c590a1126ec118817994f2e6996aafa8 [0,1,0,1,0,0|1,0,1]=4 8343 B9R1.39 C=CCOC1COC1C 912914be94532170f64f01b8025c395f [0,1,0,1,0,0|1,0,1]=4 8344 B9R1.39 CC1OCC1NCCF 42989288c3a7efc0962acad74020c472 [0,1,0,1,0,0|2,0,0]=4 8345 B9R1.39 CC1OCC1NCCO 4aa8acd1f5a96c4f47962ac8d8f70c54 [0,1,0,1,0,0|1,0,0]=3 8346 B9R1.39 CC1OCC1NCCS e9d2a30a5a84f3e461bc68bb1567372a [0,1,0,1,0,0|1,1,0]=4 8347 B9R1.39 CC1OCC1OCC#N 0a816de464a0b77b0272645f7aa91c5e [0,1,0,1,0,0|1,0,1]=4 8348 B9R1.39 CC1OCC1OCC=O ea69815746541ac6f999bf555977edb0 [0,1,0,1,0,0|0,0,2]=4 8349 B9R1.39 CC1OCC1OCCF 792c2ae40385fd88c31b1b288f872eea [0,1,0,1,0,0|1,0,0]=3 8350 B9R1.39 CC1OCC1OCCS e9680cc14af40f864a04450cc79bd39b [0,1,0,1,0,0|0,1,0]=3 8351 B9R1.39 CCCNC1CCC1F f940797bfde24da6869058ae90b846c0 [0,1,0,1,0,0|2,0,0]=4 8352 B9R1.39 CCCNC1CCC1O d155a733c41c62abda7d08da95cfc65c [0,1,0,1,0,0|1,0,0]=3 8353 B9R1.39 CCCNC1COC1C b1aaf2ab047435cf9a15478d5d560ad8 [0,1,0,1,0,0|2,0,0]=4 8354 B9R1.39 CCCN[C@@H]1CC[C@@H]1O 26f710b672dad38acbb559b9bae73466 [0,1,0,1,0,0|1,0,0]=3 8355 B9R1.39 CCCN[C@@H]1CC[C@H]1C c8f45cad8802a2551c2c9ee0cd091dea [0,1,0,1,0,0|2,0,0]=4 8356 B9R1.39 CCCN[C@@H]1CC[C@H]1O 1240837254956ece18ef0c124fef8aba [0,1,0,1,0,0|1,0,0]=3 8357 B9R1.39 CCCN[C@H]1CC[C@@H]1O 393ffdf10510a7842b6493a44dc8cabe [0,1,0,1,0,0|1,0,0]=3 8358 B9R1.39 CCCN[C@H]1CC[C@H]1C b137abb955ecbcaefca08fee2aa51b9c [0,1,0,1,0,0|2,0,0]=4 8359 B9R1.39 CCCN[C@H]1CC[C@H]1O 05a01537d0a8846f5484509481105bbc [0,1,0,1,0,0|1,0,0]=3 8360 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|1,0,1]=4 8361 B9R1.39 CCCOC1COC1C 082863f32e89201820397c080e5dbba8 [0,1,0,1,0,0|1,0,0]=3 8362 B9R1.39 CCOCC1CCC1F 9994a3fd455bbaa1c6e78ef99cb573e4 [0,1,0,1,0,0|2,0,0]=4 8363 B9R1.39 CN1CCC1CNCO fe45827ec2dbc7564b909ee07df37b27 [0,1,0,1,0,0|2,0,0]=4 8364 B9R1.39 COCNC1CCC1O f02238d064673c249a52955b6be6bc37 [0,1,0,1,0,0|2,0,0]=4 8365 B9R1.39 COCN[C@@H]1CC[C@@H]1O 343221b7c3898987c1845b292bdf2363 [0,1,0,1,0,0|2,0,0]=4 8366 B9R1.39 COCN[C@@H]1CC[C@H]1C 19c0fb2707947723e432ccb381787aa0 [0,1,0,1,0,0|2,0,0]=4 8367 B9R1.39 COCN[C@@H]1CC[C@H]1O cfc872b78253ca97ea2001af9edc173a [0,1,0,1,0,0|2,0,0]=4 8368 B9R1.39 COCN[C@H]1CC[C@@H]1O a93a06131333f161a68ff4e0082a29ac [0,1,0,1,0,0|2,0,0]=4 8369 B9R1.39 COCN[C@H]1CC[C@H]1C 0394228cbdba638b6cc7da58290fdd36 [0,1,0,1,0,0|2,0,0]=4 8370 B9R1.39 COCN[C@H]1CC[C@H]1O 6001ce6be2fe26be93ec34423556ae6b [0,1,0,1,0,0|2,0,0]=4 8371 B9R1.39 COCOC1COC1C 653f4f02ddf33b3dd46e476d0a144699 [0,1,0,1,0,0|2,0,0]=4 8372 B9R1.39 CSCNC1CCC1O e35637c20df1ac578d1a40920909753e [0,1,0,1,0,0|2,0,0]=4 8373 B9R1.39 CSCN[C@@H]1CC[C@@H]1O fe7446e6a7604529749a21ccee5ec183 [0,1,0,1,0,0|2,0,0]=4 8374 B9R1.39 CSCN[C@@H]1CC[C@H]1O 167a8639a767baab97dc63bec7939f0f [0,1,0,1,0,0|2,0,0]=4 8375 B9R1.39 CSCN[C@H]1CC[C@@H]1O 1289a841a7b14fe93d25104d77bcb269 [0,1,0,1,0,0|2,0,0]=4 8376 B9R1.39 CSCN[C@H]1CC[C@H]1O fad0b5bf54fdbc84673db9ca7dbebd32 [0,1,0,1,0,0|2,0,0]=4 8377 B9R1.39 CSCOC1COC1C cb05f9c80aaeb7fc960a3c63ceeef86b [0,1,0,1,0,0|2,0,0]=4 8378 B9R1.39 C[C@@H]1CC[C@@H]1NCCF 89fd5c2dffe3216934be01f30e9cbd16 [0,1,0,1,0,0|2,0,0]=4 8379 B9R1.39 C[C@@H]1CC[C@@H]1NCCO 06a8fabda842982d62baff95336c3842 [0,1,0,1,0,0|1,0,0]=3 8380 B9R1.39 C[C@@H]1CC[C@@H]1NCCS 1f79c57ecea77ce9c2581decfa360554 [0,1,0,1,0,0|1,1,0]=4 8381 B9R1.39 C[C@@H]1CC[C@H]1NCCF 69326010ef1b670c9f088649c128218a [0,1,0,1,0,0|2,0,0]=4 8382 B9R1.39 C[C@@H]1CC[C@H]1NCCO 20e40c68c6c9e73ece74b6b077aa5521 [0,1,0,1,0,0|1,0,0]=3 8383 B9R1.39 C[C@@H]1CC[C@H]1NCCS 6c9d62403e05614cf2b1aeb4423229f7 [0,1,0,1,0,0|1,1,0]=4 8384 B9R1.39 FC1CCC1NCCS 68d345cfd577943cf461cd9950cfe68b [0,1,0,1,0,0|1,1,0]=4 8385 B9R1.39 FCCNC1CCC1F 4b4b51509de78d19262b6cb272f4cc17 [0,1,0,1,0,0|2,0,0]=4 8386 B9R1.39 O=C1CCC1NCCO 6ba8bc28b11ed8fcaf6b4ee2f92451e5 [0,1,0,1,0,0|1,0,1]=4 8387 B9R1.39 O=C1CCC1OCCF dd8162d9e9efdcef395b302d66117a1f [0,1,0,1,0,0|1,0,1]=4 8388 B9R1.39 O=C1CCC1OCCS 623af281b20256d582f920eb3b4a5f07 [0,1,0,1,0,0|0,1,1]=4 8389 B9R1.39 OC1CCC1NCCF 482878175f2d86504ac8f8eea589f6f6 [0,1,0,1,0,0|2,0,0]=4 8390 B9R1.39 OC1CCC1NCCS ebc9f68826bc1c58cc72810f9131ffc6 [0,1,0,1,0,0|1,1,0]=4 8391 B9R1.39 OCCNC1CCC1F ef06149c6bbe49bc6fc3390a2f2acf12 [0,1,0,1,0,0|1,0,0]=3 8392 B9R1.39 OCCNC1CCC1O 171c95f3412ea60ccaf22eed8177bf34 [0,1,0,1,0,0|1,0,0]=3 8393 B9R1.39 OCCN[C@@H]1CC[C@@H]1O 985eb6382f4df76927e9c4eb391fd2d0 [0,1,0,1,0,0|1,0,0]=3 8394 B9R1.39 OCCN[C@@H]1CC[C@H]1O fb0900c43eb98dcc659645e6b8587e0c [0,1,0,1,0,0|1,0,0]=3 8395 B9R1.39 OCCN[C@H]1CC[C@@H]1O 4c137233e7db24d264fe06726e36b1f4 [0,1,0,1,0,0|1,0,0]=3 8396 B9R1.39 OCCN[C@H]1CC[C@H]1O a024b9cf917224da23bfdb9e5cb134f8 [0,1,0,1,0,0|1,0,0]=3 8397 B9R1.39 O[C@@H]1CC[C@@H]1NCCF 7cb6a8d1f1a673aaec6b4fded04917ab [0,1,0,1,0,0|2,0,0]=4 8398 B9R1.39 O[C@@H]1CC[C@@H]1NCCS 6b1f5038a1e2a74876c0698da7ea97f9 [0,1,0,1,0,0|1,1,0]=4 8399 B9R1.39 O[C@@H]1CC[C@H]1NCCF d0f1360c612ae132b661bd980c3ed5c4 [0,1,0,1,0,0|2,0,0]=4 8400 B9R1.39 O[C@@H]1CC[C@H]1NCCS ed0e0abbab8cbb35bacf94de544feb08 [0,1,0,1,0,0|1,1,0]=4 8401 B9R1.39 O[C@H]1CC[C@@H]1NCCF 6d5818cfc3b9706e4b681ba6f45716f1 [0,1,0,1,0,0|2,0,0]=4 8402 B9R1.39 O[C@H]1CC[C@@H]1NCCS b6a2cf7749c4d80c838614a7679f68d2 [0,1,0,1,0,0|1,1,0]=4 8403 B9R1.39 O[C@H]1CC[C@H]1NCCF aabed13accde8fd055cae36fc27c02d3 [0,1,0,1,0,0|2,0,0]=4 8404 B9R1.39 O[C@H]1CC[C@H]1NCCS 8840078772757377a3b93c3b29aadc82 [0,1,0,1,0,0|1,1,0]=4 8405 B9R1.83 BrCCNCCC1CC1 0da3fb55213cfb08f81b0cad2a283032 [0,1,0,1,0,0|2,0,0]=4 8406 B9R1.83 C#CCCCOC1CC1 424ed4b9acf788531f0c0e01a9c561d7 [0,1,0,1,0,0|1,0,1]=4 8407 B9R1.83 C#CCCNCC1CC1 c1429b2eedf5e585f241a385c761c92b [0,1,0,1,0,0|2,0,0]=4 8408 B9R1.83 C#CCCOCC1CC1 b4e2e8e5af634b1ccc64d70f0cf69053 [0,1,0,1,0,0|1,0,0]=3 8409 B9R1.83 C#CCOCCC1CC1 865f4ad6fe8e0653a758fae35f30d18f [0,1,0,1,0,0|1,0,1]=4 8410 B9R1.83 C#CCOCCN1CC1 b3d9b0dcc98be7ef60b518876f65465c [0,1,0,1,0,0|1,0,1]=4 8411 B9R1.83 C/C=C/CCOC1CC1 f889ca5b2601f57d7b09c4f22deaad87 [0,1,0,1,0,0|1,0,1]=4 8412 B9R1.83 C/C=C/COCC1CC1 84ba4f3d699fc619e338a6373e68ca68 [0,1,0,1,0,0|1,0,1]=4 8413 B9R1.83 C/C=C\COCC1CC1 2999bbd5637ab2e784bcb55b0fa3c3ad [0,1,0,1,0,0|1,0,1]=4 8414 B9R1.83 C=CCCCOC1CC1 f50c46c5e6361c6f38ecbc945267201f [0,1,0,1,0,0|1,0,1]=4 8415 B9R1.83 C=CCCNCC1CC1 99f83c26da404011e22f37cdeeaa0989 [0,1,0,1,0,0|2,0,0]=4 8416 B9R1.83 C=CCCOCC1CC1 3c9b915cf00d6498b589d15c57a937be [0,1,0,1,0,0|1,0,0]=3 8417 B9R1.83 C=CCOCCC1CC1 6c68105a3b7e7c21024b8d52b38c3fcc [0,1,0,1,0,0|1,0,1]=4 8418 B9R1.83 C=CCOCCN1CC1 98f12ddaf158c825cad9b1bcc6ceb5eb [0,1,0,1,0,0|1,0,1]=4 8419 B9R1.83 CC#CCCOC1CC1 255ba93572150f1b0f271eb72d283126 [0,1,0,1,0,0|1,0,1]=4 8420 B9R1.83 CC#CCOCC1CC1 9a9364d36c4284a93866dc24e75012d8 [0,1,0,1,0,0|1,0,1]=4 8421 B9R1.83 CC/C=C/COC1CC1 525d315a9e849e84b4e36e46feb977a6 [0,1,0,1,0,0|1,0,1]=4 8422 B9R1.83 CC/C=C\COC1CC1 76ae3ceafffebf5641028a7eac5023b5 [0,1,0,1,0,0|1,0,1]=4 8423 B9R1.83 CC=CCOCC1CC1 d318dc70ece1ecb9bf542e9c745ab43f [0,1,0,1,0,0|1,0,1]=4 8424 B9R1.83 CCC#CCOC1CC1 3b0177c2de311e4c228d782fd35570bf [0,1,0,1,0,0|1,0,1]=4 8425 B9R1.83 CCCCCNC1CC1 182e34f01f4e93ff96a1ffe590e2e53a [0,1,0,1,0,0|2,0,0]=4 8426 B9R1.83 CCCCCOC1CC1 c05908e5db456f2ab5194641355b6a73 [0,1,0,1,0,0|1,0,0]=3 8427 B9R1.83 CCCCNCC1CC1 a48f68a9567460a31d6726709248936a [0,1,0,1,0,0|2,0,0]=4 8428 B9R1.83 CCCCOCC1CC1 159db9ea02796d0040b64f5c82f606c6 [0,1,0,1,0,0|1,0,0]=3 8429 B9R1.83 CCCNCCC1CC1 3a624658db64a1f5f7cc51abb62a5a09 [0,1,0,1,0,0|2,0,0]=4 8430 B9R1.83 CCCNCCN1CC1 58d7aff0d3cf2df8efdf80782055a9d9 [0,1,0,1,0,0|2,0,0]=4 8431 B9R1.83 CCCOCCC1CC1 a38f09be96ec1efe289ea215f61e5202 [0,1,0,1,0,0|1,0,0]=3 8432 B9R1.83 CCCOCCN1CC1 0d2af25d97c4961a4bc400478249bac1 [0,1,0,1,0,0|1,0,0]=3 8433 B9R1.83 CCNCCOC1CC1 33361d77688a7f0c196e565414a8b9c9 [0,1,0,1,0,0|1,0,0]=3 8434 B9R1.83 CCOCCCC1CC1 58903da184310c5a30f3427e9b172b7e [0,1,0,1,0,0|2,0,0]=4 8435 B9R1.83 CCOCCNC1CC1 96db8cff5af3576e4131952d3e740e3b [0,1,0,1,0,0|2,0,0]=4 8436 B9R1.83 CCOCCOC1CC1 42fef91f7edafdd5cb9fdafe43b714b8 [0,1,0,1,0,0|1,0,0]=3 8437 B9R1.83 CCOCNCC1CC1 04438077b66c37122f29dd84e3abb6d9 [0,1,0,1,0,0|2,0,0]=4 8438 B9R1.83 CCOCOCC1CC1 7e611a5c50b439412b21dd9e4d67500e [0,1,0,1,0,0|1,0,0]=3 8439 B9R1.83 CCSCCNC1CC1 e3190194db4e0f60107a4f5e92778a9f [0,1,0,1,0,0|2,0,0]=4 8440 B9R1.83 CCSCCOC1CC1 0c0b346d805d14c1207eddbc99c0f444 [0,1,0,1,0,0|1,0,0]=3 8441 B9R1.83 COCCCNC1CC1 61e0346d2aedb5376968ffa469e24fb4 [0,1,0,1,0,0|2,0,0]=4 8442 B9R1.83 COCCCOC1CC1 705ce8b98f637a601a7f909e2bb8bf18 [0,1,0,1,0,0|1,0,0]=3 8443 B9R1.83 COCCNCC1CC1 e817867eed8ab017b4ce3a432e30ee2f [0,1,0,1,0,0|1,0,0]=3 8444 B9R1.83 COCCOCC1CC1 c0b23423f684bb121df97881f90d0ff2 [0,1,0,1,0,0|0,0,0]=2 8445 B9R1.83 COCNCCC1CC1 52e892002e679fb8f1cecac3cbed406e [0,1,0,1,0,0|2,0,0]=4 8446 B9R1.83 COCOCCC1CC1 776755336f0844894f069bc96e1839b4 [0,1,0,1,0,0|2,0,0]=4 8447 B9R1.83 COCOCCN1CC1 919ef17f0d5bd29eca495e0d6a6afa21 [0,1,0,1,0,0|2,0,0]=4 8448 B9R1.83 CSCCCNC1CC1 1ef124b37b1771d13536c1b6bf79b41c [0,1,0,1,0,0|2,0,0]=4 8449 B9R1.83 CSCCCOC1CC1 e1668796184b8d9fdd57314963a83868 [0,1,0,1,0,0|1,0,0]=3 8450 B9R1.83 CSCCNCC1CC1 29d6e15dd8efe8cfbb468cde13b97308 [0,1,0,1,0,0|1,1,0]=4 8451 B9R1.83 CSCCOCC1CC1 9ad24786d6f50a50a22c586ad4ae4c1f [0,1,0,1,0,0|0,1,0]=3 8452 B9R1.83 CSCOCCC1CC1 23a6a6a588a734ac97ae531b8ffd7bd0 [0,1,0,1,0,0|2,0,0]=4 8453 B9R1.83 CSCOCCN1CC1 5cbe5eea91c054f37b54cc4ad7065342 [0,1,0,1,0,0|2,0,0]=4 8454 B9R1.83 Cl/C=C/COCC1CC1 aee76dbe02a63f8046a9f04a3f39ba2a [0,1,0,1,0,0|1,0,1]=4 8455 B9R1.83 Cl/C=C\COCC1CC1 911ce12e9b18ba96671f78dbb017b236 [0,1,0,1,0,0|1,0,1]=4 8456 B9R1.83 ClC=CCOCC1CC1 0ada644dcc7984b953870120499529c9 [0,1,0,1,0,0|1,0,1]=4 8457 B9R1.83 ClCCCCNC1CC1 972820e6d76a502573380911256e795f [0,1,0,1,0,0|2,0,0]=4 8458 B9R1.83 ClCCCNCC1CC1 b0a542e48ba4dcc8d58b2a1c2f74d843 [0,1,0,1,0,0|2,0,0]=4 8459 B9R1.83 FCCCCNC1CC1 ed2ff121651ad1a2368d50a592868879 [0,1,0,1,0,0|2,0,0]=4 8460 B9R1.83 FCCCCOC1CC1 dd8ebe18f5f53fe4d3526349df0a3ac9 [0,1,0,1,0,0|1,0,0]=3 8461 B9R1.83 FCCCNCC1CC1 b8d88e6720a8f4a4a2efd5c38173a4ca [0,1,0,1,0,0|2,0,0]=4 8462 B9R1.83 FCCCOCC1CC1 25bc7b1ea2d13edf4caa9c8ea0915fd2 [0,1,0,1,0,0|1,0,0]=3 8463 B9R1.83 FCCNCCC1CC1 f89eea610cd2dcfc3ba9e245e54078d5 [0,1,0,1,0,0|2,0,0]=4 8464 B9R1.83 FCCNCCN1CC1 5579193d23ebe1168b4399c334e8e570 [0,1,0,1,0,0|2,0,0]=4 8465 B9R1.83 FCCOCCC1CC1 a6b822023ea7f580246931334a8efbc3 [0,1,0,1,0,0|1,0,0]=3 8466 B9R1.83 FCCOCCN1CC1 20514bf3c0df35ca49fb9aeee8cb7cea [0,1,0,1,0,0|1,0,0]=3 8467 B9R1.83 FCNCCOC1CC1 c6688e824f2ed8832364a8e49b97b040 [0,1,0,1,0,0|2,0,0]=4 8468 B9R1.83 FCOCCCC1CC1 0b8c9326c555d9697fcaddb0289edb0e [0,1,0,1,0,0|2,0,0]=4 8469 B9R1.83 FCOCCOC1CC1 5d81cead7848f2df17a50a8fad63d7ab [0,1,0,1,0,0|2,0,0]=4 8470 B9R1.83 IC#CCOCC1CC1 75d6f4e1ce658ee03c8b770cd5579629 [0,1,0,1,0,0|1,0,1]=4 8471 B9R1.83 ICCNCCC1CC1 bcf7879b65284dad9f39fbe79d41d3e3 [0,1,0,1,0,0|2,0,0]=4 8472 B9R1.83 N#CCCCOC1CC1 13737cc96c57ae295c4f4c445c74b27f [0,1,0,1,0,0|1,0,1]=4 8473 B9R1.83 N#CCCNCC1CC1 a0dab48b30b369d29169f9c539a4f4bf [0,1,0,1,0,0|2,0,0]=4 8474 B9R1.83 N#CCCOCC1CC1 3177ad3b80c57457a0730c1e40ab7212 [0,1,0,1,0,0|1,0,0]=3 8475 B9R1.83 N#CCOCCC1CC1 3e97a0940a5f212e4aea1e41d20280dc [0,1,0,1,0,0|1,0,1]=4 8476 B9R1.83 N#CCOCCN1CC1 59db19c6009e8e7a1cbe6d57cdb7fb26 [0,1,0,1,0,0|1,0,1]=4 8477 B9R1.83 N#CSCOCC1CC1 c5bc0ad2e9abbd5f543e3c6a1e15c2d0 [0,1,0,1,0,0|1,0,1]=4 8478 B9R1.83 NOCCNCC1CC1 9d9fa93d603d3ff3fe84f06b47741165 [0,1,0,1,0,0|1,0,0]=3 8479 B9R1.83 O/C=C\CNCC1CC1 d334ec2882453580e7bf1aa7c14449be [0,1,0,1,0,0|1,0,1]=4 8480 B9R1.83 O=CCCCOC1CC1 8c56cd950e39548ad0d9b9606b829577 [0,1,0,1,0,0|1,0,1]=4 8481 B9R1.83 O=CCCNCC1CC1 7c4d27f4b68b41c8eddb041c82ef0a24 [0,1,0,1,0,0|1,0,1]=4 8482 B9R1.83 O=CCCOCC1CC1 daa9b247c38693dadc6d33a20c9e023c [0,1,0,1,0,0|0,0,1]=3 8483 B9R1.83 O=CCOCCC1CC1 e95c5fc4c9f9574f689822c866eeb674 [0,1,0,1,0,0|0,0,2]=4 8484 B9R1.83 O=CCOCCN1CC1 e180a4a310ef673098f7407d6614588a [0,1,0,1,0,0|0,0,2]=4 8485 B9R1.83 OCC#CCNC1CC1 7074437b2ee3f81a576da91c88163a93 [0,1,0,1,0,0|1,0,1]=4 8486 B9R1.83 OCCCCNC1CC1 c4f4967ad469c6a279d6aa96bd53fadd [0,1,0,1,0,0|1,0,0]=3 8487 B9R1.83 OCCCNCC1CC1 40d7db90d231f4b1706e12f0cfad86e0 [0,1,0,1,0,0|1,0,0]=3 8488 B9R1.83 OCCNCCC1CC1 21febed634739e021e8829c4a7554e2e [0,1,0,1,0,0|1,0,0]=3 8489 B9R1.83 OCCNCCN1CC1 5a0ab84ec1378b39bb93519b88d0578f [0,1,0,1,0,0|1,0,0]=3 8490 B9R1.83 OCNCCOC1CC1 456369b5677a025114a072c9e32dc0df [0,1,0,1,0,0|2,0,0]=4 8491 B9R1.83 SCCCCNC1CC1 3431e387ca5ab10241cf6865cc637145 [0,1,0,1,0,0|1,1,0]=4 8492 B9R1.83 SCCCCOC1CC1 55cbba2b58e1b2b95945fe5c29452ae4 [0,1,0,1,0,0|1,0,0]=3 8493 B9R1.83 SCCCNCC1CC1 491ca919acdd387cb6b75f9e2951c526 [0,1,0,1,0,0|1,1,0]=4 8494 B9R1.83 SCCCOCC1CC1 de80acd598b0ab0e4f6ae9ac52b5337f [0,1,0,1,0,0|0,1,0]=3 8495 B9R1.83 SCCNCCC1CC1 9216eecf3ec31eb23dd673407029c88a [0,1,0,1,0,0|1,1,0]=4 8496 B9R1.83 SCCNCCN1CC1 0f3a9efc2f0506024ed62482c2dad32c [0,1,0,1,0,0|1,1,0]=4 8497 B9R1.83 SCCOCCC1CC1 0a094d3244fb51de09c4ba875a01eebc [0,1,0,1,0,0|0,1,0]=3 8498 B9R1.83 SCCOCCN1CC1 9d8c5805288a668333d2f63971e3ba16 [0,1,0,1,0,0|0,1,0]=3 8499 B9R1.89 CCN1CCCCCC1 78f85fed93dd7010f5d48b439304c97c [0,1,0,1,0,0|2,0,0]=4 8500 B9R1.89 CCN1CCCOCC1 b7637df7a376a0cc2a30d3c23838f678 [0,1,0,1,0,0|1,0,0]=3 8501 B9R1.89 FCN1CCCCCC1 60c0199684985ea88d82a5db0516e27d [0,1,0,1,0,0|2,0,0]=4 8502 B9R1.89 FCN1CCCOCC1 3c5ee395d952c7c8bca3f2bab6d60603 [0,1,0,1,0,0|2,0,0]=4 8503 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,1,0,0|1,0,0]=3 8504 B9R1.89 OCN1CCCOCC1 e5da19333e435076222444f0fc992871 [0,1,0,1,0,0|2,0,0]=4 8505 B9R1.1 CC1CCN(CC1)CO 26b7dfa38ac2efd8f0c6b91628c67d49 [0,1,0,1,0,0|2,0,0]=4 8506 B9R1.1 OCN1CCC(CC1)Cl 737658df764a220dd5cc1d26b1bde051 [0,1,0,1,0,0|2,0,0]=4 8507 B9R1.1 OCN1CCC(CC1)F 2cd1b296555734462ecd117608b0f95f [0,1,0,1,0,0|2,0,0]=4 8508 B9R1.1 OCN1CCC(CC1)I c5a53019f2579defd4a18520dfc32ef9 [0,1,0,1,0,0|2,0,0]=4 8509 B9R1.1 OCN1CCC(CC1)O 8c9fdfb456137554f80d512222114412 [0,1,0,1,0,0|2,0,0]=4 8510 B9R1.11 CC(CO)N1CCSC1 1d4d4e2852f97890671092c4ef964d1b [0,1,0,1,0,0|2,0,0]=4 8511 B9R1.11 CN(CO)C1CCCC1 0b5d16fc59af1f86a07861d7fe6de384 [0,1,0,1,0,0|2,0,0]=4 8512 B9R1.11 C[C@@H](CO)N1CCSC1 c15e476cac31bade22e5e93d072ff6cd [0,1,0,1,0,0|2,0,0]=4 8513 B9R1.11 C[C@H](CO)N1CCSC1 8f226dc4c661d3c281c27b6fe7e907f6 [0,1,0,1,0,0|2,0,0]=4 8514 B9R1.21 CCC1CCN(C1)CO d6731118e4ffc5593845df2f4ad3ee35 [0,1,0,1,0,0|2,0,0]=4 8515 B9R1.21 CCN1CCC(C1)CO acdff276d4b839ef8c04381939dbe5e7 [0,1,0,1,0,0|2,0,0]=4 8516 B9R1.21 CCN1CC[C@@H](C1)CO 48328545a7d872fb4c0919a7aad4a213 [0,1,0,1,0,0|2,0,0]=4 8517 B9R1.21 CCN1CC[C@H](C1)CO 39703f8defd6e5d4b86cb99cb799f45b [0,1,0,1,0,0|2,0,0]=4 8518 B9R1.78 CC(CO)NC1CC1C 31f0a60a7e3bca7d1c2cec461eb14cd4 [0,1,0,1,0,0|1,0,0]=3 8519 B9R1.78 CC(CO)N[C@@H]1C[C@H]1F 62083bee1f5ce3fce298c9dea6eaf9bc [0,1,0,1,0,0|2,0,0]=4 8520 B9R1.78 CC(CO)N[C@H]1C[C@@H]1F ebed19cc57bfab10581eeca09608a481 [0,1,0,1,0,0|2,0,0]=4 8521 B9R1.78 CC(CO)N[C@H]1C[C@H]1F 8eb3848d4a9933af76ccb78feab67055 [0,1,0,1,0,0|2,0,0]=4 8522 B9R1.78 CC1CC1NC(=O)CO 740515921c7bf5adffa2bc0f92edb9b2 [0,1,0,1,0,0|1,0,1]=4 8523 B9R1.78 CC1CC1N[C@@H](C)CO 89d3a93945f93e2f7719eca7d6c99000 [0,1,0,1,0,0|1,0,0]=3 8524 B9R1.78 CC1CC1N[C@H](C)CO 0f8b1c1428660281434fcaa43af1652f [0,1,0,1,0,0|1,0,0]=3 8525 B9R1.78 CCC(C)NC1CC1C e8bae9da4b55ebc4b2d2cb674fe87966 [0,1,0,1,0,0|2,0,0]=4 8526 B9R1.78 C[C@@H](CO)N[C@@H]1C[C@H]1F 633a4369464efa5a46cfad713978570a [0,1,0,1,0,0|2,0,0]=4 8527 B9R1.78 C[C@@H](CO)N[C@H]1C[C@@H]1F 4a828ba2ebd6988f5a04af620a360d1b [0,1,0,1,0,0|2,0,0]=4 8528 B9R1.78 C[C@@H](CO)N[C@H]1C[C@H]1F 548c7ace315c73c673542516525adc34 [0,1,0,1,0,0|2,0,0]=4 8529 B9R1.78 C[C@H](CO)N[C@@H]1C[C@H]1F bc5b71047e71b57bcb194093beb36b67 [0,1,0,1,0,0|2,0,0]=4 8530 B9R1.78 C[C@H](CO)N[C@H]1C[C@@H]1F 81523bf9f953860f457d3060478bcc3a [0,1,0,1,0,0|2,0,0]=4 8531 B9R1.78 C[C@H](CO)N[C@H]1C[C@H]1F 1787991033d1152aac9676c6e020a52a [0,1,0,1,0,0|2,0,0]=4 8532 B9R1.79 C#CC(C)OC1CCC1 6e2f531868b666fceb9eb6c9e1bf89ee [0,1,0,1,0,0|1,0,1]=4 8533 B9R1.79 C#C[C@@H](C)OC1CCC1 cf2816132a8c1d05eb4c94507e4a8685 [0,1,0,1,0,0|1,0,1]=4 8534 B9R1.79 C#C[C@H](C)OC1CCC1 93f66d5b00ec1eeea71a082a56fc0dd9 [0,1,0,1,0,0|1,0,1]=4 8535 B9R1.79 C=CC(C)OC1CCC1 86437af073ef6720bc4525acb7141504 [0,1,0,1,0,0|1,0,1]=4 8536 B9R1.79 C=C[C@H](C)OC1CCC1 d6b3f218157baafc8fa5691c5c3addfc [0,1,0,1,0,0|1,0,1]=4 8537 B9R1.79 CC(C#N)OC1CCC1 a66032a38bb55e4e8f320c9fc25d7287 [0,1,0,1,0,0|1,0,1]=4 8538 B9R1.79 CC(C=O)OC1CCC1 3ad197f933b80f60f4ae60061b095099 [0,1,0,1,0,0|0,0,2]=4 8539 B9R1.79 CC(CF)OC1CCC1 5c7ac847394f319d441e9e2f8b53084a [0,1,0,1,0,0|1,0,0]=3 8540 B9R1.79 CC(CF)OC1COC1 7548c7ec67ec14e14437ad6259ab4226 [0,1,0,1,0,0|2,0,0]=4 8541 B9R1.79 CC(CO)CN1CCC1 d168c8219be1f770820d5e7c83d84077 [0,1,0,1,0,0|2,0,0]=4 8542 B9R1.79 CC(CO)NC1CCC1 4811b6671e2602139157430438dbea3e [0,1,0,1,0,0|1,0,0]=3 8543 B9R1.79 CC(CO)NC1COC1 8b55227370337f8a2951215cd6948800 [0,1,0,1,0,0|2,0,0]=4 8544 B9R1.79 CC(CS)OC1CCC1 d379fa837bcce1ba67786013b2d5ebd7 [0,1,0,1,0,0|0,1,0]=3 8545 B9R1.79 CC(CS)OC1COC1 7a550be49c82e8ce7122be9e7c18ff87 [0,1,0,1,0,0|1,1,0]=4 8546 B9R1.79 CCC(C)CN1CCC1 02954610e2d1f94ff0af8f33e1c3e020 [0,1,0,1,0,0|2,0,0]=4 8547 B9R1.79 CCC(C)NC1CCC1 f925d9d8c9c1fd2c865a5ecb0b258cd1 [0,1,0,1,0,0|2,0,0]=4 8548 B9R1.79 CCC(C)OC1CCC1 0180d2caa13c9dd8070620c42711187f [0,1,0,1,0,0|1,0,0]=3 8549 B9R1.79 CCC(C)OC1COC1 3fadd30240f6ff8cac66b79cd7c6bacc [0,1,0,1,0,0|2,0,0]=4 8550 B9R1.79 CCC(C)OC1CSC1 af17d581207c2de599dd786c387c9fe7 [0,1,0,1,0,0|2,0,0]=4 8551 B9R1.79 CCC(O)CN1CCC1 b06bb03f669d8ae1ef0741bc801086ab [0,1,0,1,0,0|2,0,0]=4 8552 B9R1.79 CCN(C)CC1CCO1 9f7b1892a55aecae5157efc33f2b177f [0,1,0,1,0,0|2,0,0]=4 8553 B9R1.79 CCN(C)C[C@@H]1CCO1 3b21f82b1f442cac988fe84c9700a0c2 [0,1,0,1,0,0|2,0,0]=4 8554 B9R1.79 CCN(C)C[C@H]1CCO1 ae459f031ee03d57081f50f10a4aeac1 [0,1,0,1,0,0|2,0,0]=4 8555 B9R1.79 CC[C@@H](C)CN1CCC1 ebf090ca7b0742ed4eb741ad6315eeda [0,1,0,1,0,0|2,0,0]=4 8556 B9R1.79 CC[C@@H](C)NC1CCC1 a7e3f2729bad760e7d95c0015de48149 [0,1,0,1,0,0|2,0,0]=4 8557 B9R1.79 CC[C@@H](C)OC1CCC1 9a0987cfaf5d278e5eb1876f8a7aa72a [0,1,0,1,0,0|1,0,0]=3 8558 B9R1.79 CC[C@@H](C)OC1COC1 2f005ec55e07f43617c3e61c59f80e51 [0,1,0,1,0,0|2,0,0]=4 8559 B9R1.79 CC[C@H](C)CN1CCC1 a4574d4dac5d1566a4146f23574fe037 [0,1,0,1,0,0|2,0,0]=4 8560 B9R1.79 CC[C@H](C)NC1CCC1 1cf2a22f634a4339ad89ebfaa665a963 [0,1,0,1,0,0|2,0,0]=4 8561 B9R1.79 CC[C@H](C)OC1CCC1 1d7b74c52414befa8e301dae5eea3aac [0,1,0,1,0,0|1,0,0]=3 8562 B9R1.79 CC[C@H](C)OC1COC1 1c040382f17feaa75a4cff122c1e3dac [0,1,0,1,0,0|2,0,0]=4 8563 B9R1.79 CN(CO)CC1CCC1 773b3747ae13621c99e8bb01ec83febb [0,1,0,1,0,0|2,0,0]=4 8564 B9R1.79 C[C@@H](CO)CN1CCC1 927b7cf27127a44201898f079512a0e6 [0,1,0,1,0,0|2,0,0]=4 8565 B9R1.79 C[C@@H](CO)NC1CCC1 cd279c6b9bc1dd39d10426837ba53a0e [0,1,0,1,0,0|1,0,0]=3 8566 B9R1.79 C[C@@H](CO)NC1COC1 4b2e33964f29f0265dd4342f8944a1b3 [0,1,0,1,0,0|2,0,0]=4 8567 B9R1.79 C[C@H](C=O)OC1CCC1 a8149e9585a28788a34126b9a0b430ea [0,1,0,1,0,0|0,0,2]=4 8568 B9R1.79 C[C@H](CO)CN1CCC1 f011a8db877dff1098cc586b2fd10add [0,1,0,1,0,0|2,0,0]=4 8569 B9R1.79 C[C@H](CO)NC1CCC1 d70b6520da300d0bde0a27ccda05a355 [0,1,0,1,0,0|1,0,0]=3 8570 B9R1.79 C[C@H](CO)NC1COC1 160472342f2a731b6e0bb5fdcd7a15dc [0,1,0,1,0,0|2,0,0]=4 8571 B9R1.79 C[C@H](CS)OC1CCC1 1e0bb233409fab00b3777e34620e36c3 [0,1,0,1,0,0|0,1,0]=3 8572 B9R1.79 C[C@H](CS)OC1COC1 aa959e65017667995cb0d8b4d375b8cb [0,1,0,1,0,0|1,1,0]=4 8573 B9R1.79 N#CC(F)OC1CCC1 79f73a7cbdd5490b5f42fca4ea003135 [0,1,0,1,0,0|1,0,1]=4 8574 B9R1.79 O=C(CO)NC1CCC1 0966cf85b1996540e8450078e870cb20 [0,1,0,1,0,0|1,0,1]=4 8575 B9R1.79 OCC(O)CN1CCC1 77d495332a3dfcded8f272fcec03fd49 [0,1,0,1,0,0|2,0,0]=4 8576 B9R1.79 OC[C@@H](O)CN1CCC1 fe9bff743ecc366ae10fd8edc3aee57f [0,1,0,1,0,0|2,0,0]=4 8577 B9R1.79 OC[C@H](O)CN1CCC1 5cdca8e693d3a19839bfe09018b7b456 [0,1,0,1,0,0|2,0,0]=4 8578 B9R1.80 BrCC(Br)COC1CC1 4e1fe99a90fc36c7a6232a4bab499e75 [0,1,0,1,0,0|2,0,0]=4 8579 B9R1.80 C#CC(C)OCC1CC1 867e9dd7b767514a8a04b057b1293ccd [0,1,0,1,0,0|1,0,1]=4 8580 B9R1.80 C#C[C@@H](C)OCC1CC1 181d0c628b8d7e659c6e1c4eea7ac468 [0,1,0,1,0,0|1,0,1]=4 8581 B9R1.80 C#C[C@H](C)OCC1CC1 1806c698fe53277af2c1a9d65fb95cf3 [0,1,0,1,0,0|1,0,1]=4 8582 B9R1.80 C=C(CC)COC1CC1 fb1375842216cac1679e4cf33555d4c9 [0,1,0,1,0,0|1,0,1]=4 8583 B9R1.80 C=CC(C)OCC1CC1 940bdc59b29d7b9f7b6d5708b8e5a78c [0,1,0,1,0,0|1,0,1]=4 8584 B9R1.80 C=C[C@H](C)OCC1CC1 5f3f6610f60ef3a694d062d56d16ead9 [0,1,0,1,0,0|1,0,1]=4 8585 B9R1.80 CC(C#N)OCC1CC1 c0cd3eeeb03eb62d00417c62651b4729 [0,1,0,1,0,0|1,0,1]=4 8586 B9R1.80 CC(C=O)OCC1CC1 e0e640dbc22ded242e79f76216140c14 [0,1,0,1,0,0|0,0,2]=4 8587 B9R1.80 CC(CF)OCC1CC1 f2ff96634f9d62acc323fa98e229b6fd [0,1,0,1,0,0|1,0,0]=3 8588 B9R1.80 CC(CO)CNC1CC1 5f4090b02da81fafd03b814271260179 [0,1,0,1,0,0|2,0,0]=4 8589 B9R1.80 CC(CO)NCC1CC1 79fe0ab850d65be0c6739ddc7e868593 [0,1,0,1,0,0|1,0,0]=3 8590 B9R1.80 CC(CS)OCC1CC1 b822f563bea7863cd2df5628d35e2dd2 [0,1,0,1,0,0|0,1,0]=3 8591 B9R1.80 CCC(=O)COC1CC1 91b908d3bdda21bf408da4d85b40356e [0,1,0,1,0,0|1,0,1]=4 8592 B9R1.80 CCC(C)CNC1CC1 ad9ee1d9311969e068953b2c60fda3f5 [0,1,0,1,0,0|2,0,0]=4 8593 B9R1.80 CCC(C)COC1CC1 fc4153701edb00027f5bd97a22d73bfd [0,1,0,1,0,0|1,0,0]=3 8594 B9R1.80 CCC(C)NCC1CC1 d09a14798733ef972faa55a9d51f6397 [0,1,0,1,0,0|2,0,0]=4 8595 B9R1.80 CCC(C)OCC1CC1 3cee3b67aa9344af3ffffd26076f0925 [0,1,0,1,0,0|1,0,0]=3 8596 B9R1.80 CCC(O)CNC1CC1 54abe56f753b54db78c54831e171c9d7 [0,1,0,1,0,0|2,0,0]=4 8597 B9R1.80 CC[C@@H](C)CNC1CC1 6e3db939f484e38405d06dad6c62a0be [0,1,0,1,0,0|2,0,0]=4 8598 B9R1.80 CC[C@@H](C)COC1CC1 c471e1d65fe90b78503ac3ed60fff66b [0,1,0,1,0,0|1,0,0]=3 8599 B9R1.80 CC[C@@H](C)NCC1CC1 99f15cdcfda03eca24361633d03cfb45 [0,1,0,1,0,0|2,0,0]=4 8600 B9R1.80 CC[C@@H](C)OCC1CC1 fffa99e08d63840e92c952887fb614e2 [0,1,0,1,0,0|1,0,0]=3 8601 B9R1.80 CC[C@@H](O)CNC1CC1 5c71c3a806fd8f23ecb282a3fe94c34f [0,1,0,1,0,0|2,0,0]=4 8602 B9R1.80 CC[C@H](C)CNC1CC1 e02e6161acece2b0abbd305f4ff0d3e4 [0,1,0,1,0,0|2,0,0]=4 8603 B9R1.80 CC[C@H](C)COC1CC1 f978728bace659950a5803a6bc71f596 [0,1,0,1,0,0|1,0,0]=3 8604 B9R1.80 CC[C@H](C)NCC1CC1 1f2fc53104858a8039268e133d720c37 [0,1,0,1,0,0|2,0,0]=4 8605 B9R1.80 CC[C@H](C)OCC1CC1 ac9d849fab3ff96df981f8d72e68155e [0,1,0,1,0,0|1,0,0]=3 8606 B9R1.80 COC(C)COC1CC1 73d0084e856d56092fef485aae91c26d [0,1,0,1,0,0|2,0,0]=4 8607 B9R1.80 CO[C@@H](C)COC1CC1 b6663dd0ac92434556ee3f30f869aff1 [0,1,0,1,0,0|2,0,0]=4 8608 B9R1.80 CO[C@H](C)COC1CC1 8f7a52a5d4cfd3e78bc41c6ff1c41086 [0,1,0,1,0,0|2,0,0]=4 8609 B9R1.80 C[C@@H](CO)CNC1CC1 0dae56d459e691c223210b0b3e1f7769 [0,1,0,1,0,0|2,0,0]=4 8610 B9R1.80 C[C@@H](CO)NCC1CC1 1d203caf6ed23ae9e95c1e3c998244d9 [0,1,0,1,0,0|1,0,0]=3 8611 B9R1.80 C[C@H](C=O)OCC1CC1 53d16c8fcc83412c0fbcbb0c1f40f33f [0,1,0,1,0,0|0,0,2]=4 8612 B9R1.80 C[C@H](CO)CNC1CC1 8581a4702fc2a87244654d139612a33a [0,1,0,1,0,0|2,0,0]=4 8613 B9R1.80 C[C@H](CO)NCC1CC1 5fd359fa2abe86c7f5ffbeffc29c3c50 [0,1,0,1,0,0|1,0,0]=3 8614 B9R1.80 C[C@H](CS)OCC1CC1 db34c70340c94748646b387191a76745 [0,1,0,1,0,0|0,1,0]=3 8615 B9R1.80 ClCC(Cl)COC1CC1 d3467f1ee2fd033ea94f7684062693ec [0,1,0,1,0,0|2,0,0]=4 8616 B9R1.80 O=C(CO)NCC1CC1 1aa11e15f6d97fd26e12f2bf021722dd [0,1,0,1,0,0|1,0,1]=4 8617 B9R1.80 OCC(F)CNC1CC1 3b4acde20dcbb17af591de1b63b101fc [0,1,0,1,0,0|2,0,0]=4 8618 B9R1.80 OCC(O)CNC1CC1 8516e8735a869915f0cd7e8e9c31287f [0,1,0,1,0,0|2,0,0]=4 8619 B9R1.80 OCC(O)COC1CC1 76df70328f0f37cb561b84cb3d7f524f [0,1,0,1,0,0|2,0,0]=4 8620 B9R1.80 OC[C@@H](F)CNC1CC1 517f96dd8f0cc2bbb376dd92dbd55d91 [0,1,0,1,0,0|2,0,0]=4 8621 B9R1.80 OC[C@@H](O)CNC1CC1 b0c8b4f5996282299dfc10e649ed5c69 [0,1,0,1,0,0|2,0,0]=4 8622 B9R1.80 OC[C@@H](O)COC1CC1 d9e29ace9afb0cf42c6aafedfece282e [0,1,0,1,0,0|2,0,0]=4 8623 B9R1.80 OC[C@H](F)CNC1CC1 e6d03a62d528bc49057e50f596907635 [0,1,0,1,0,0|2,0,0]=4 8624 B9R1.80 OC[C@H](O)CNC1CC1 7d9278a90d53785620ddeda8b03265d1 [0,1,0,1,0,0|2,0,0]=4 8625 B9R1.80 OC[C@H](O)COC1CC1 b919d013ebea877889cd4dc18135123f [0,1,0,1,0,0|2,0,0]=4 8626 B9R1.80 SCC(S)COC1CC1 ac36a2220824923bff8bbcc4897cd16d [0,1,0,1,0,0|2,0,0]=4 8627 B9R1.99 C#CCOCC1(CC1)Br 81e1511eeb5b1cf0f7d5dfd69427a26b [0,1,0,1,0,0|1,0,1]=4 8628 B9R1.99 C#CCOCC1(CC1)C b39913abc3775d8b5c0e57f7ca4b9b60 [0,1,0,1,0,0|1,0,1]=4 8629 B9R1.99 C#CCOCC1(CC1)Cl 9ed3ed5299ad1efeec8e5cd349583227 [0,1,0,1,0,0|1,0,1]=4 8630 B9R1.99 C#CCOCC1(CC1)F 5c48f45b25ee7fc18c2546d5f940db64 [0,1,0,1,0,0|1,0,1]=4 8631 B9R1.99 C=CCOCC1(CC1)Br d37a6984d58b7530291e19384dc373df [0,1,0,1,0,0|1,0,1]=4 8632 B9R1.99 C=CCOCC1(CC1)C f387acfd168a9a86b71cdb6bccabfb3d [0,1,0,1,0,0|1,0,1]=4 8633 B9R1.99 C=CCOCC1(CC1)Cl 9b52ede946361c9eba899045dfb898d0 [0,1,0,1,0,0|1,0,1]=4 8634 B9R1.99 C=CCOCC1(CC1)F 34764e5fca977bd7052b2b3e14737753 [0,1,0,1,0,0|1,0,1]=4 8635 B9R1.99 CC1(CC1)CNCCBr 541cc709922ca8ebb6141eb3b88b07f2 [0,1,0,1,0,0|2,0,0]=4 8636 B9R1.99 CC1(CC1)CNCCF dc6641aa445dc6d4b3ab9e7023ad3066 [0,1,0,1,0,0|2,0,0]=4 8637 B9R1.99 CC1(CC1)CNCCI a5ba6f8c4a4a791f7ee5883185556e9a [0,1,0,1,0,0|2,0,0]=4 8638 B9R1.99 CC1(CC1)CNCCO 0693429f2f1d0ea8e8187423c9dc85bf [0,1,0,1,0,0|1,0,0]=3 8639 B9R1.99 CC1(CC1)CNCCS beec4cf61b614a609fcffff0dda557ba [0,1,0,1,0,0|1,1,0]=4 8640 B9R1.99 CC1(CC1)COCC#N 5d613026d4b9eb039ee7923fd8279aa2 [0,1,0,1,0,0|1,0,1]=4 8641 B9R1.99 CC1(CC1)COCC=O b166dfb9468c1e850f96d829f605a37f [0,1,0,1,0,0|0,0,2]=4 8642 B9R1.99 CC1(CC1)COCCF bf39369c9ef05a346b6d44de264f18c9 [0,1,0,1,0,0|1,0,0]=3 8643 B9R1.99 CC1(CC1)COCCS 711a3aecabfef9a885c5ce4f48671beb [0,1,0,1,0,0|0,1,0]=3 8644 B9R1.99 CC1(CC1)NCCCO e69b9c11d57236d61bf02f2e3916666d [0,1,0,1,0,0|2,0,0]=4 8645 B9R1.99 CCCCNC1(CC1)C 8d16b79618e1448b4b387e59865658fd [0,1,0,1,0,0|2,0,0]=4 8646 B9R1.99 CCCNCC1(CC1)C 547845d31c0bad1e3b0526e0a384b023 [0,1,0,1,0,0|2,0,0]=4 8647 B9R1.99 CCCNCC1(CC1)F d476d51175ebf795ce3ca1c4d298679d [0,1,0,1,0,0|2,0,0]=4 8648 B9R1.99 CCCNCC1(CC1)O 2888c072d532cf9a9a47472985ce5ea5 [0,1,0,1,0,0|2,0,0]=4 8649 B9R1.99 CCCOCC1(CC1)Br 3facf422c83424dca8bd3f9ee0babf81 [0,1,0,1,0,0|1,0,0]=3 8650 B9R1.99 CCCOCC1(CC1)C 9a6dff24250df4c22cbe9a5aec4d2fb5 [0,1,0,1,0,0|1,0,0]=3 8651 B9R1.99 CCCOCC1(CC1)Cl 56de3c563db57679f436fc59da93cc07 [0,1,0,1,0,0|1,0,0]=3 8652 B9R1.99 CCCOCC1(CC1)F 4f5f367f76e2faebf1d707fcdf9a1a99 [0,1,0,1,0,0|1,0,0]=3 8653 B9R1.99 COCOCC1(CC1)Br 7b0e6299cc4e379e1859fc6019500be7 [0,1,0,1,0,0|2,0,0]=4 8654 B9R1.99 COCOCC1(CC1)C 2571cb74cfd6bcbb4dd04fe82f43b764 [0,1,0,1,0,0|2,0,0]=4 8655 B9R1.99 COCOCC1(CC1)Cl 7b4a5b66627beaaef529c0ab3ce8f67d [0,1,0,1,0,0|2,0,0]=4 8656 B9R1.99 COCOCC1(CC1)F 3503bd972e15aa9a53ae977761e6babb [0,1,0,1,0,0|2,0,0]=4 8657 B9R1.99 CSCOCC1(CC1)Br f29ba8cec9bbe63c2e611561c887de00 [0,1,0,1,0,0|2,0,0]=4 8658 B9R1.99 CSCOCC1(CC1)C e3a4db363802db95b14de0ae8aea3740 [0,1,0,1,0,0|2,0,0]=4 8659 B9R1.99 CSCOCC1(CC1)Cl 96a36a4d9cda5d08bd464b07190bb26b [0,1,0,1,0,0|2,0,0]=4 8660 B9R1.99 CSCOCC1(CC1)F 9f58a8a98e55982885530e816bac7a9f [0,1,0,1,0,0|2,0,0]=4 8661 B9R1.99 FC1(CC1)CNCCBr fc40b630fa39b5892283ac3e456d9bca [0,1,0,1,0,0|2,0,0]=4 8662 B9R1.99 FC1(CC1)CNCCI 87e0f26dcb9fa10f84d0fbab2c55d2eb [0,1,0,1,0,0|2,0,0]=4 8663 B9R1.99 FC1(CC1)CNCCS 7cfe84a662ed6df981bdb19b51cc0dad [0,1,0,1,0,0|1,1,0]=4 8664 B9R1.99 FC1(CC1)COCCS 2b5455a238b6bfebbe338b281cdd6d5f [0,1,0,1,0,0|0,1,0]=3 8665 B9R1.99 FCCNCC1(CC1)F da90f7c0d3a041c2654ee83635ce0767 [0,1,0,1,0,0|2,0,0]=4 8666 B9R1.99 FCCOCC1(CC1)Br ba976352c14c25051cd96fdc4fbc5a4d [0,1,0,1,0,0|1,0,0]=3 8667 B9R1.99 FCCOCC1(CC1)Cl afa3b909fd2bb14e132e0b4ceae1f7cb [0,1,0,1,0,0|1,0,0]=3 8668 B9R1.99 FCCOCC1(CC1)F 4941b9b3df9ec5c6f7b96b3c93fb0a82 [0,1,0,1,0,0|1,0,0]=3 8669 B9R1.99 N#CCOCC1(CC1)Br 192cfa2b7a5e19918733410ca4685a8c [0,1,0,1,0,0|1,0,1]=4 8670 B9R1.99 N#CCOCC1(CC1)Cl a9dca1f5b6db279821b67c5e92092d90 [0,1,0,1,0,0|1,0,1]=4 8671 B9R1.99 N#CCOCC1(CC1)F b0bc9abdd9af37a8e49628b1b36ec11e [0,1,0,1,0,0|1,0,1]=4 8672 B9R1.99 O=CCOCC1(CC1)Br 2f4cf0f6748a003b50403677e488e461 [0,1,0,1,0,0|0,0,2]=4 8673 B9R1.99 O=CCOCC1(CC1)Cl 7c664b4090fb4b753b85caad72b569b6 [0,1,0,1,0,0|0,0,2]=4 8674 B9R1.99 O=CCOCC1(CC1)F baad38c60c93835284a25e51dfa6195a [0,1,0,1,0,0|0,0,2]=4 8675 B9R1.99 OC1(CC1)CNCCF b711d2664d74e724180de8180bcd276e [0,1,0,1,0,0|2,0,0]=4 8676 B9R1.99 OC1(CC1)CNCCS a7ed84b1ba0d91c11f56e14be2af3888 [0,1,0,1,0,0|1,1,0]=4 8677 B9R1.99 OCCNCC1(CC1)F 3554ff577e650b2bed48e5a5eb4fc2c6 [0,1,0,1,0,0|1,0,0]=3 8678 B9R1.99 OCCNCC1(CC1)O db387feaaf81959a6b5a86fd519e749d [0,1,0,1,0,0|1,0,0]=3 8679 B9R1.99 OCNCCC1(CC1)O 9b4e9fc3a01187484832dde1dab82e0f [0,1,0,1,0,0|2,0,0]=4 8680 B9R1.99 SCCOCC1(CC1)Br eacfdb9c5cc6d92e8a35c2582fafd520 [0,1,0,1,0,0|0,1,0]=3 8681 B9R1.99 SCCOCC1(CC1)Cl 924ac6e2f2ac1cdb43315a14eda090fc [0,1,0,1,0,0|0,1,0]=3 8682 B9R1.132 CC1C(CCN1CO)O 15154e81a6544fa7799f1dc766998bfb [0,1,0,1,0,0|2,0,0]=4 8683 B9R1.132 C[C@@H]1[C@@H](CCN1CO)O c073ad0368ee13c008baefdc4b9118fa [0,1,0,1,0,0|2,0,0]=4 8684 B9R1.132 C[C@H]1[C@H](CCN1CO)O 6569fa22652ee461ef908d3964163e1a [0,1,0,1,0,0|2,0,0]=4 8685 B9R1.6 CC(C)N1CCCOC1 d8a29a25a4bc244ca393574be7e71b03 [0,1,0,1,0,0|2,0,0]=4 8686 B9R1.13 CC(C)OC1CCCO1 af2408e49f3115bccbf657c1fe05b160 [0,1,0,1,0,0|2,0,0]=4 8687 B9R1.13 CC(O)CN1CCSC1 53d3fd88efa1771ec1369d698ded9211 [0,1,0,1,0,0|2,0,0]=4 8688 B9R1.13 C[C@@H](O)CN1CCSC1 d23038b0a5fee9444b05c8a77b89f96f [0,1,0,1,0,0|2,0,0]=4 8689 B9R1.13 C[C@H](O)CN1CCSC1 0cd403c8a70c7a07025d47897fe6155d [0,1,0,1,0,0|2,0,0]=4 8690 B9R1.24 CC1(CCCN1CO)C f0feaaffe324cc9aa0becdf4742793cf [0,1,0,1,0,0|2,0,0]=4 8691 B9R1.24 CCN1COCC1(C)C e00eaaf7a2283a2313de292cb1d59877 [0,1,0,1,0,0|2,0,0]=4 8692 B9R1.41 CC(C)N1CCCC1O 6f80a1c609c870584ffddcbaaad3ac7b [0,1,0,1,0,0|2,0,0]=4 8693 B9R1.46 CC(C)CNC1CC1C dccf2d8663f452d6948894e50c73e52d [0,1,0,1,0,0|2,0,0]=4 8694 B9R1.46 CC(O)CNC1CC1C 65a3dce9b80b7e6073fecc0b82a4278c [0,1,0,1,0,0|1,0,0]=3 8695 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 91c170de7fe1a4c99aecac259830fa2c [0,1,0,1,0,0|2,0,0]=4 8696 B9R1.46 CC(O)CN[C@H]1C[C@@H]1F a599ef0ded2a3203bd53b144ebc4cf89 [0,1,0,1,0,0|2,0,0]=4 8697 B9R1.46 CC(O)CN[C@H]1C[C@H]1F e7cb115698c326ec55cf4c45cbb9c3ad [0,1,0,1,0,0|2,0,0]=4 8698 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,1,0,1,0,0|1,0,1]=4 8699 B9R1.46 CC1CC1NCC(F)F b9488982f902dbe05bd8b62e92d023e7 [0,1,0,1,0,0|2,0,0]=4 8700 B9R1.46 CC1CC1NC[C@@H](C)O e235a82f857b1ad469c64953d9779c93 [0,1,0,1,0,0|1,0,0]=3 8701 B9R1.46 CC1CC1NC[C@H](C)O 1ffb1a76a30a6fa9c1940857f79ab76f [0,1,0,1,0,0|1,0,0]=3 8702 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 1f5ae57cf5e71a3198b558c57a8df3fc [0,1,0,1,0,0|2,0,0]=4 8703 B9R1.46 C[C@@H](O)CN[C@H]1C[C@@H]1F d9b29793eb70e7a18419d8d9148aaceb [0,1,0,1,0,0|2,0,0]=4 8704 B9R1.46 C[C@@H](O)CN[C@H]1C[C@H]1F 7c82e11aac63dc652eb94434cdf40d6a [0,1,0,1,0,0|2,0,0]=4 8705 B9R1.46 C[C@H](O)CN[C@@H]1C[C@H]1F e33eba46d1419183405ea9a8405f70de [0,1,0,1,0,0|2,0,0]=4 8706 B9R1.46 C[C@H](O)CN[C@H]1C[C@@H]1F 8653156859e537720d42e268eb33acc2 [0,1,0,1,0,0|2,0,0]=4 8707 B9R1.46 C[C@H](O)CN[C@H]1C[C@H]1F b88580b3195687ee8e20863255a16f71 [0,1,0,1,0,0|2,0,0]=4 8708 B9R1.67 CC(C)NC1CCC1O dc417730d8b8deae25e62c896cf992e7 [0,1,0,1,0,0|2,0,0]=4 8709 B9R1.67 CC(C)N[C@@H]1CC[C@@H]1O b7d251bf95fcff4d5781d14d664eded6 [0,1,0,1,0,0|2,0,0]=4 8710 B9R1.67 CC(C)N[C@@H]1CC[C@H]1O b6e3c2282d90b65c4b55a9e6d528ca84 [0,1,0,1,0,0|2,0,0]=4 8711 B9R1.67 CC(C)N[C@H]1CC[C@@H]1O e74c084cdd02da21931929230f389b43 [0,1,0,1,0,0|2,0,0]=4 8712 B9R1.67 CC(C)N[C@H]1CC[C@H]1O 33541660aade19ed781b3bdcdfa593e3 [0,1,0,1,0,0|2,0,0]=4 8713 B9R1.77 C#CCOC1CC1(C)C f95d0a275f89be03c4f731d332876928 [0,1,0,1,0,0|1,0,1]=4 8714 B9R1.77 CC1(CC1NCCBr)C 01d7281452bc1e7bb9f2a825f811928b [0,1,0,1,0,0|2,0,0]=4 8715 B9R1.77 CC1(CC1NCCF)C 1320c860e0d8a358db9dc1384619526b [0,1,0,1,0,0|2,0,0]=4 8716 B9R1.77 CC1(CC1NCCI)C 3dcf83bec30422796b84f11231253494 [0,1,0,1,0,0|2,0,0]=4 8717 B9R1.77 CC1(CC1NCCO)C 2ecfc0bb0f8a81e25b86ef5d08846f31 [0,1,0,1,0,0|1,0,0]=3 8718 B9R1.77 CC1(CC1NCCS)C a2c1a6302792b6f90d94db31392783ad [0,1,0,1,0,0|1,1,0]=4 8719 B9R1.77 CC1(CC1OCC#N)C 6c2f213e1b99d65197214239a56867af [0,1,0,1,0,0|1,0,1]=4 8720 B9R1.77 CC1(CC1OCCF)C b30a9d3af2d21e5d6dc8ec7905c10716 [0,1,0,1,0,0|1,0,0]=3 8721 B9R1.77 CC1(CC1OCCS)C 34a490334ddb2a1b91224d0dab32394e [0,1,0,1,0,0|0,1,0]=3 8722 B9R1.77 CC1(CN1CCCO)C 65512d39e38009f3440de6812e71b073 [0,1,0,1,0,0|2,0,0]=4 8723 B9R1.77 CC1(C[C@@H]1CNCO)C 036a6bdeabc1cb0a28f589285e01a903 [0,1,0,1,0,0|2,0,0]=4 8724 B9R1.77 CC1(C[C@@H]1NCCF)C 1ce241cd31cfc96476d09b8ef3759e18 [0,1,0,1,0,0|2,0,0]=4 8725 B9R1.77 CC1(C[C@@H]1NCCO)C 91935ffcfa016fe4111ab2e747c650ac [0,1,0,1,0,0|1,0,0]=3 8726 B9R1.77 CC1(C[C@@H]1NCCS)C 9f5353f28e2e984253a4a0b438e1591b [0,1,0,1,0,0|1,1,0]=4 8727 B9R1.77 CC1(C[C@H]1CNCO)C 7bed042a69347035bd9071cd1f44f500 [0,1,0,1,0,0|2,0,0]=4 8728 B9R1.77 CC1(C[C@H]1NCCF)C 4bcb019300a9d3d0fecf5ab470bed91c [0,1,0,1,0,0|2,0,0]=4 8729 B9R1.77 CC1(C[C@H]1NCCO)C b237d865f48c12eed88113c0eda4bee5 [0,1,0,1,0,0|1,0,0]=3 8730 B9R1.77 CC1(C[C@H]1NCCS)C 1fd9244c6d3086d5a105a42c09778afd [0,1,0,1,0,0|1,1,0]=4 8731 B9R1.77 CCCCN1CC1(C)C e629b0438831422fad712d9b411c82cb [0,1,0,1,0,0|2,0,0]=4 8732 B9R1.77 CCCNC1CC1(C)C 00f20b02b848e322252fc5b71a62961f [0,1,0,1,0,0|2,0,0]=4 8733 B9R1.77 CCCN[C@@H]1CC1(C)C 80e81b04da13cdc76a1405901be89f1b [0,1,0,1,0,0|2,0,0]=4 8734 B9R1.77 CCCN[C@H]1CC1(C)C 95ce5369aa3676410a47433cb0e4208d [0,1,0,1,0,0|2,0,0]=4 8735 B9R1.77 CCCOC1CC1(C)C 3c64c247fe9dd6fe71023c62f6ff88a2 [0,1,0,1,0,0|1,0,0]=3 8736 B9R1.77 CCCOC1CC1(F)F a37738cd63e2fdf55456be36e8ab6b7a [0,1,0,1,0,0|2,0,0]=4 8737 B9R1.77 COCOC1CC1(C)C 9f49f6f6783a5dfcea274da7e55dbe1d [0,1,0,1,0,0|2,0,0]=4 8738 B9R1.77 FC1(CC1OCCS)F e184bd37fe9db716cf19ebb3de7f4f0b [0,1,0,1,0,0|1,1,0]=4 8739 B9R1.77 FCCOC1CC1(F)F 9f07c6335895ddd69b03ce3809e9dbce [0,1,0,1,0,0|2,0,0]=4 8740 B9R1.77 OCCNC1CC1(F)F c542f3a28579a99104bea31b1c8d505a [0,1,0,1,0,0|2,0,0]=4 8741 B9R1.84 C=C(Br)COC1CCC1 f0299dc579956f565c871cc427746846 [0,1,0,1,0,0|1,0,1]=4 8742 B9R1.84 C=C(C)COC1CCC1 543c9c519279dd68009467313a91bb34 [0,1,0,1,0,0|1,0,1]=4 8743 B9R1.84 C=C(Cl)COC1CCC1 0ed4ba90e018bc78f519c36cbf723e49 [0,1,0,1,0,0|1,0,1]=4 8744 B9R1.84 C=C(F)COC1CCC1 4e2e517366406bc26b5321085d6c13f4 [0,1,0,1,0,0|1,0,1]=4 8745 B9R1.84 C=C(I)COC1CCC1 f7e50cec6d8c94d518e081f2313fe81f [0,1,0,1,0,0|1,0,1]=4 8746 B9R1.84 CC(=O)COC1CCC1 d88d952edae987109b22eaffa67aceef [0,1,0,1,0,0|0,0,2]=4 8747 B9R1.84 CC(C)CCN1CCC1 462c5b79fa01afbf7e525a5b70d0a5e7 [0,1,0,1,0,0|2,0,0]=4 8748 B9R1.84 CC(C)CNC1CCC1 a8373a3005167b447194b4f889045c67 [0,1,0,1,0,0|2,0,0]=4 8749 B9R1.84 CC(C)COC1CCC1 ac5e364c69a8ca0ff10ee02aff84ac55 [0,1,0,1,0,0|1,0,0]=3 8750 B9R1.84 CC(C)COC1COC1 3119fa0511e0eacb88e62cdeb64e2e6b [0,1,0,1,0,0|2,0,0]=4 8751 B9R1.84 CC(C)COC1CSC1 465e2a1ffc413e25deae26ffd96ecd1a [0,1,0,1,0,0|2,0,0]=4 8752 B9R1.84 CC(C)NCC1CCO1 b2416a9b45fa08ef64a80aaf0f7f8b1d [0,1,0,1,0,0|2,0,0]=4 8753 B9R1.84 CC(C)NC[C@@H]1CCO1 41d6adb1bb4cfaaf9bf1fc09a8685d16 [0,1,0,1,0,0|2,0,0]=4 8754 B9R1.84 CC(C)NC[C@H]1CCO1 c2f370a88ec4cc0377b00e9a57ebb682 [0,1,0,1,0,0|2,0,0]=4 8755 B9R1.84 CC(C)OCC1CCO1 6dd03ea9fa93d5620934acc500209c85 [0,1,0,1,0,0|2,0,0]=4 8756 B9R1.84 CC(C)OC[C@@H]1CCO1 6e34a7c8eb080aca60084dc91f237acc [0,1,0,1,0,0|2,0,0]=4 8757 B9R1.84 CC(C)OC[C@H]1CCO1 de355a6e1b3df4104ae7d01b7eee8729 [0,1,0,1,0,0|2,0,0]=4 8758 B9R1.84 CC(F)COC1CCC1 36f7c13e5ff1d9741bdabaad21704c81 [0,1,0,1,0,0|1,0,0]=3 8759 B9R1.84 CC(F)COC1COC1 72fd2e5499f900b01db084ef3c48e262 [0,1,0,1,0,0|2,0,0]=4 8760 B9R1.84 CC(O)CCN1CCC1 ff9e837ea604ad4bb78d61aacd2e986b [0,1,0,1,0,0|2,0,0]=4 8761 B9R1.84 CC(O)CNC1CCC1 96bd5539a723730488cc31c0d270b12a [0,1,0,1,0,0|1,0,0]=3 8762 B9R1.84 CC(O)CNC1COC1 5663e4d57035d80938fbfda13fa2850a [0,1,0,1,0,0|2,0,0]=4 8763 B9R1.84 CC(S)COC1CCC1 c599defaec7bf838448ecb89cbb55984 [0,1,0,1,0,0|0,1,0]=3 8764 B9R1.84 CC(S)COC1COC1 89fa8cb5bb2f25c3df30a858818db160 [0,1,0,1,0,0|1,1,0]=4 8765 B9R1.84 CN(C)COC1CCC1 81fbd500d862266d2f36d60f5c4d6770 [0,1,0,1,0,0|2,0,0]=4 8766 B9R1.84 C[C@@H](F)COC1CCC1 f0edc5535252d6c0804d8e862f60de58 [0,1,0,1,0,0|1,0,0]=3 8767 B9R1.84 C[C@@H](F)COC1COC1 4ede3a1fedca1827191b42731ea6cd8e [0,1,0,1,0,0|2,0,0]=4 8768 B9R1.84 C[C@@H](O)CNC1CCC1 4d88206ac709e75f636226694fa1d13f [0,1,0,1,0,0|1,0,0]=3 8769 B9R1.84 C[C@@H](O)CNC1COC1 c4ea949946491224817fa7489997bdeb [0,1,0,1,0,0|2,0,0]=4 8770 B9R1.84 C[C@H](F)COC1CCC1 70950598ffe46345e34be13731ced8a1 [0,1,0,1,0,0|1,0,0]=3 8771 B9R1.84 C[C@H](F)COC1COC1 c1b14fe4ac870dd02333b3697a818158 [0,1,0,1,0,0|2,0,0]=4 8772 B9R1.84 C[C@H](O)CNC1CCC1 5643d23a46e4aad5f7f358d5677f0135 [0,1,0,1,0,0|1,0,0]=3 8773 B9R1.84 C[C@H](O)CNC1COC1 34b70d228331bfe8d39d8337ddea6535 [0,1,0,1,0,0|2,0,0]=4 8774 B9R1.84 FC(F)CNC1CCC1 d0049c135408a02ca787c9ef01caa6c4 [0,1,0,1,0,0|2,0,0]=4 8775 B9R1.84 FC(F)COC1CCC1 aeaf05d1342ed32bce9a87a4d2c1f0b3 [0,1,0,1,0,0|1,0,0]=3 8776 B9R1.84 FC(F)COC1COC1 809e05560a1e78172454b08253d91869 [0,1,0,1,0,0|2,0,0]=4 8777 B9R1.84 FC(F)COC1CSC1 3b9f545fa68663971a4c4383d0593248 [0,1,0,1,0,0|2,0,0]=4 8778 B9R1.84 NC(=O)COC1CCC1 2e70bd2c52f1b1ce8734b1f0deba9c6c [0,1,0,1,0,0|0,0,2]=4 8779 B9R1.84 NC(=S)COC1CCC1 2859db688683b26698d3d7e03074b26a [0,1,0,1,0,0|0,1,1]=4 8780 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [0,1,0,1,0,0|1,0,1]=4 8781 B9R1.84 O=C(O)COC1CCC1 6ea2b5eaf8c15cb47b19add287442093 [0,1,0,1,0,0|0,0,1]=3 8782 B9R1.84 O=C(O)COC1COC1 018c9639a2203f1b493d64da9ef6e678 [0,1,0,1,0,0|1,0,1]=4 8783 B9R1.84 O=C(O)COC1CSC1 386bd6c5f64faff25702916ce2fff970 [0,1,0,1,0,0|1,0,1]=4 8784 B9R1.84 O=S(O)COC1CCC1 41f090ccc207301c7067fca8add75b7b [0,1,0,1,0,0|1,0,0]=3 8785 B9R1.84 O=[N+]([O-])COC1CCC1 a48e089ba01b1bd1072131689cc3ec6e [0,1,0,1,0,0|1,0,1]=4 8786 B9R1.85 C=C(Br)COCC1CC1 72eed00bc2f8e00b0099015e72c2cd8f [0,1,0,1,0,0|1,0,1]=4 8787 B9R1.85 C=C(C)CCOC1CC1 ddccda51fae4017136f8b3a868b4dd9c [0,1,0,1,0,0|1,0,1]=4 8788 B9R1.85 C=C(C)COCC1CC1 603f38758eee841c895005229814bd4b [0,1,0,1,0,0|1,0,1]=4 8789 B9R1.85 C=C(Cl)COCC1CC1 e89eb66864a4bf1519ae687951fd59fe [0,1,0,1,0,0|1,0,1]=4 8790 B9R1.85 C=C(F)COCC1CC1 1221b82cfe1b9ce180c9dd23d57c682a [0,1,0,1,0,0|1,0,1]=4 8791 B9R1.85 C=C(I)COCC1CC1 488dc2053d0eed68e56b9809cc9fb852 [0,1,0,1,0,0|1,0,1]=4 8792 B9R1.85 CC(=O)CCOC1CC1 71bcc53c6961c217f2fe0eeac463e457 [0,1,0,1,0,0|1,0,1]=4 8793 B9R1.85 CC(=O)COCC1CC1 e2c3813cb7e7a8aa347ec5eecae51c32 [0,1,0,1,0,0|0,0,2]=4 8794 B9R1.85 CC(C)CCNC1CC1 4543302d1655edcb0282cf2a18721e45 [0,1,0,1,0,0|2,0,0]=4 8795 B9R1.85 CC(C)CCOC1CC1 70d4a4d26eee961d7584ac1557ea884e [0,1,0,1,0,0|1,0,0]=3 8796 B9R1.85 CC(C)CNCC1CC1 19d21dfb9af5c1de44e16cd87bb4a1b3 [0,1,0,1,0,0|2,0,0]=4 8797 B9R1.85 CC(C)COCC1CC1 54df63520c81790a79064f50ca9f7091 [0,1,0,1,0,0|1,0,0]=3 8798 B9R1.85 CC(C)OCOC1CC1 8f852814ffd87c0cdd814e02a1b967a0 [0,1,0,1,0,0|2,0,0]=4 8799 B9R1.85 CC(F)COCC1CC1 a439606b3f47d32ab113e8ad468a47f2 [0,1,0,1,0,0|1,0,0]=3 8800 B9R1.85 CC(O)CCNC1CC1 d831798b3bd96a2a1eb8b44ce820c125 [0,1,0,1,0,0|2,0,0]=4 8801 B9R1.85 CC(O)CNCC1CC1 d26bf0aff11e769c3c0521de341f8a80 [0,1,0,1,0,0|1,0,0]=3 8802 B9R1.85 CC(S)COCC1CC1 fbf8c1ff76a2f0513df5bcc735842d7e [0,1,0,1,0,0|0,1,0]=3 8803 B9R1.85 CN(C)CCOC1CC1 1a273256b68aa7a1c2c74804fffb027a [0,1,0,1,0,0|2,0,0]=4 8804 B9R1.85 CN(C)COCC1CC1 8b8a8fc9a81b27177324fc8f06f7afe6 [0,1,0,1,0,0|2,0,0]=4 8805 B9R1.85 CS(=O)CCOC1CC1 0eb2c24935f0b7436887342c8c46aa3d [0,1,0,1,0,0|2,0,0]=4 8806 B9R1.85 C[C@@H](F)COCC1CC1 71e9fe6931d583c561b4bdcf1f80d639 [0,1,0,1,0,0|1,0,0]=3 8807 B9R1.85 C[C@@H](O)CCNC1CC1 2d686f06321c342337ad7e01b43fcacd [0,1,0,1,0,0|2,0,0]=4 8808 B9R1.85 C[C@@H](O)CNCC1CC1 ce262ca96d5a775c1975cb27b5722822 [0,1,0,1,0,0|1,0,0]=3 8809 B9R1.85 C[C@H](F)COCC1CC1 ae351edecdc4be362b25f64729a038d0 [0,1,0,1,0,0|1,0,0]=3 8810 B9R1.85 C[C@H](O)CCNC1CC1 75122ad820ea85c9501aa14d2208e1b1 [0,1,0,1,0,0|2,0,0]=4 8811 B9R1.85 C[C@H](O)CNCC1CC1 26c3c4331f1fa042d0a655439dfd87b7 [0,1,0,1,0,0|1,0,0]=3 8812 B9R1.85 FC(F)CCOC1CC1 6eac46ed4ffe047801a996abe93b3845 [0,1,0,1,0,0|2,0,0]=4 8813 B9R1.85 FC(F)CNCC1CC1 61d73b44cf66fa6cd7d9bbd8c4625c24 [0,1,0,1,0,0|2,0,0]=4 8814 B9R1.85 FC(F)COCC1CC1 201a0e05991daa819f39b6768e50d491 [0,1,0,1,0,0|1,0,0]=3 8815 B9R1.85 NC(=O)COCC1CC1 96a956ffbb3f4717e41e4ec22d046bcb [0,1,0,1,0,0|0,0,2]=4 8816 B9R1.85 NC(=S)COCC1CC1 c305a74582f848a2e9b8ad48ea04e199 [0,1,0,1,0,0|0,1,1]=4 8817 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,1,0,1,0,0|1,0,1]=4 8818 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,1,0,1,0,0|0,0,1]=3 8819 B9R1.85 O=S(O)COCC1CC1 0d96823bb52c88fc09e1ef8215fd789f [0,1,0,1,0,0|1,0,0]=3 8820 B9R1.85 O=[N+]([O-])COCC1CC1 ee8a76dfb23d62fde6d21e146aec884c [0,1,0,1,0,0|1,0,1]=4 8821 B9R1.86 CC(C)N[C@@H]1C[C@H]1CO f30cc39158aafbdd564db12cd6baeff0 [0,1,0,1,0,0|2,0,0]=4 8822 B9R1.86 CC(C)N[C@H]1C[C@@H]1CO 0e6543cd40e81932b37ee0fc221f6c2e [0,1,0,1,0,0|2,0,0]=4 8823 B9R1.86 CC(C)N[C@H]1C[C@H]1CO 825e73efbc07b0934499911cae93c669 [0,1,0,1,0,0|2,0,0]=4 8824 B9R1.96 CC(C)N1CCC1CO bba1aafb4024a4a9128c9bb843bf7b9f [0,1,0,1,0,0|2,0,0]=4 8825 B9R1.96 CC(C)N1CC[C@@H]1CO d5cb7fc46d3f7a6c7d5969fdff830e5b [0,1,0,1,0,0|2,0,0]=4 8826 B9R1.96 CC(C)N1CC[C@H]1CO 39f9e7f391bf1cd12b7cc49feb1cfbfb [0,1,0,1,0,0|2,0,0]=4 8827 B9R2.47 OCN1CC2CC2C1 7f16e421cd39bf318fbc714ca9cd9da3 [0,0,0,2,0,0|2,0,0]=4 8828 B9R2.65 OCN1C2C1CCC2 32cf0761919225ef1634d9ee19fdf48b [0,0,0,2,0,0|2,0,0]=4 8829 B9R2.70 OCN1CCC2C1C2 ce192980a14c1f557ad7d784c55e2315 [0,0,0,2,0,0|2,0,0]=4 8830 B9R2.12 CC1CC1NC2CC2 c049e82dafb76466bfb1a07a542ccebd [0,0,0,2,0,0|2,0,0]=4 8831 B9R2.59 OCN1CC2CC1C2 b760016fdeb3a610e8b597e7640e4217 [0,0,0,2,0,0|2,0,0]=4 8832 B9R2.91 C1CC(C1)N2CCC2 f30508f38eba453e63ba88d2cc2a3e84 [0,0,0,2,0,0|2,0,0]=4 8833 B9R2.157 C1CC(C1)NC2CC2 a0b3748680b2bc99a067cf0a9f6ccf11 [0,0,0,2,0,0|2,0,0]=4 8834 B9R2.157 C1CC(C1)OC2CC2 01b09b176fff23a2f28174de623f066f [0,0,0,2,0,0|1,0,0]=3 8835 B9R2.157 C1CC1OC2COC2 f2003f14fe270834444a7796fb302401 [0,0,0,2,0,0|2,0,0]=4 8836 B9R2.157 C1CC1OC2CSC2 23d82ce9f09b7a75359dafef66a86920 [0,0,0,2,0,0|2,0,0]=4 8837 B9R2.157 C1CN(C1)CC2CC2 58f98fc8272b5f9139dd9ec4259494ca [0,0,0,2,0,0|2,0,0]=4 8838 B9R2.69 C1CC1CNC2CC2 7f3020c81f85f02637d3a74b60f7426d [0,0,0,2,0,0|2,0,0]=4 8839 B9R2.69 C1CC1COC2CC2 68c3bee274b6fd87729e6defa5e38a06 [0,0,0,2,0,0|1,0,0]=3