0 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C#CCCCNCF ee80cfe129267471128699a35e8db818 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCCNCO a9ed8c717b7ee1e1fd8d7809a5e484b3 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 C#CCCCOCF e2ca57ff624290ec22bd51b4b60747ec [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.1 C#CCCNCCBr 2c308029fae4f5312dbe405df3cf13f6 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 C#CCCNCCF 4f5f193a02d8fdf7dd67ec2f2011b686 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 C#CCCNCCI 6ee11ccbad19459df259d42cb58f5ef6 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 C#CCCNCCO 3bc2f77fd57a27fb406b56574c907f90 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 C#CCCNCCS 2844ea5783fe3646d976561013aace98 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C#CCCNCOC cf9396d670d650e4fa45a4ba8287b654 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,0,0,0,0,0|1,0,2]=3 18 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 C#CCCOCCF cad37c818c142f7d736f92359c1451d0 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C#CCCOCCS f5dfe7ea8cd7100b3a222a3ec7f9a19c [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 C#CCCOCOC 36c066d41d26482ed5ee75d0afe8617c [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,0,0,0,0,0|1,0,2]=3 25 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 C#CCNCCCCl 5c9c271bcb88c7f56d489e4a793e8621 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 C#CCNCCCF 279bd861169915910381757eeb364012 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 C#CCNCCCS c1f69a0bf63fe9081ded0a29bd679e0b [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 C#CCNCCOC 997335a34ef003d48d244a0ddba27e07 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C#CCNCOCC 791a5055b6dadf02042aec9a3a94990f [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.1 C#CCOCCCF 8e4a498daaa3abb486cffe02f0d9ca7f [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 C#CCOCCCS d2780b6c136095e09224f9173c87e1a2 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 C#CCOCOCC da2cc8333c6c199f28500fd01c717240 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,0,0,0,0,0|2,0,1]=3 42 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,0,0,0,0,0|3,0,1]=4 44 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,0,0,0,0,0|3,0,1]=4 48 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,0,0,0,0,0|3,0,1]=4 49 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,0,0,0,0,0|1,0,2]=3 50 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,0,0,0,0,0|3,0,1]=4 55 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,0,0,0,0,0|1,0,2]=3 62 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,0,0,0,0,0|3,0,1]=4 65 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,0,0,0,0,0|2,0,2]=4 68 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,0,0,0,0,0|1,0,2]=3 70 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,0,0,0,0,0|3,0,0]=3 72 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,0,0,0,0,0|3,0,0]=3 73 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,0,0,0,0,0|2,0,0]=2 74 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,0,0,0,0,0|3,0,1]=4 76 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,0,0,0,0,0|2,0,2]=4 77 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,0,0,0,0,0|1,0,2]=3 78 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,0,0,0,0,0|3,0,0]=3 79 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,0,0,0,0,0|3,0,0]=3 86 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,0,0,0,0,0|2,0,2]=4 88 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,0,0,0,0,0|1,0,2]=3 89 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,0,0,0,0,0|2,0,0]=2 90 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,0,0,0,0,0|3,0,0]=3 91 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,0,0,0,0,0|3,0,0]=3 92 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,0,0,0,0,0|3,0,0]=3 93 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,0,0,0,0,0|3,0,0]=3 94 B7R0.1 C=CCNCC#CC 6c02e2f05d85401245227efb2b09dc93 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,0,0,0,0,0|2,0,2]=4 96 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,0,0,0,0,0|2,0,0]=2 98 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,0,0,0,0,0|3,0,0]=3 99 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,0,0,0,0,0|3,0,0]=3 100 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,0,0,0,0,0|2,0,2]=4 104 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,0,0,0,0,0|2,0,2]=4 105 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,0,0,0,0,0|2,0,2]=4 106 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,0,0,0,0,0|2,0,2]=4 107 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,0,0,0,0,0|1,0,2]=3 109 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,0,0,0,0,0|3,0,0]=3 112 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,0,0,0,0,0|3,0,0]=3 114 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,0,0,0,0,0|2,0,2]=4 115 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.1 C=COCCNCF 3ba58790b2f94dae0082c66f02d661b4 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,0,0,0,0,0|3,0,0]=3 119 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [0,0,0,0,0,0|4,0,0]=4 120 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [0,0,0,0,0,0|2,0,2]=4 121 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,0,0,0,0,0|1,0,2]=3 122 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,0,0,0,0,0|2,0,2]=4 123 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,0,0,0,0,0|1,0,2]=3 124 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,0,0,0,0,0|2,0,2]=4 125 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,0,0,0,0,0|1,0,2]=3 126 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,0,0,0,0,0|2,0,1]=3 127 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,0,0,0,0,0|3,0,1]=4 128 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,0,0,0,0,0|1,0,2]=3 133 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,0,0,0,0,0|2,0,1]=3 134 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,0,0,0,0,0|3,0,1]=4 135 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,0,0,0,0,0|3,0,1]=4 136 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,0,0,0,0,0|2,0,1]=3 139 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,0,0,0,0,0|1,0,0]=1 140 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,0,0,0,0,0|2,0,1]=3 141 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,0,0,0,0,0|2,0,1]=3 142 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,0,0,0,0,0|1,0,2]=3 143 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,0,0,0,0,0|2,0,1]=3 144 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,0,0,0,0,0|2,0,1]=3 145 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,0,0,0,0,0|2,0,1]=3 146 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,0,0,0,0,0|1,0,0]=1 147 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,0,0,0,0,0|2,0,1]=3 148 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,0,0,0,0,0|2,0,1]=3 150 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,0,0,0,0,0|2,0,1]=3 151 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,0,0,0,0,0|1,0,2]=3 152 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,0,0,0,0,0|1,1,1]=3 153 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,0,0,0,0,0|3,0,0]=3 154 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,0,0,0,0,0|3,0,0]=3 155 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,0,0,0,0,0|2,0,1]=3 156 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,0,0,0,0,0|1,0,0]=1 157 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,0,0,0,0,0|2,0,1]=3 158 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,0,0,0,0,0|2,0,1]=3 159 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,0,0,0,0,0|1,1,1]=3 160 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,0,0,0,0,0|3,0,0]=3 161 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,0,0,0,0,0|3,0,0]=3 162 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,0,0,0,0,0|2,0,1]=3 163 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,0,0,0,0,0|2,0,1]=3 164 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,0,0,0,0|1,0,2]=3 165 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,0,0,0,0,0|1,0,0]=1 167 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,0,0,0,0,0|2,0,1]=3 168 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,0,0,0,0,0|2,0,1]=3 169 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,0,0,0,0,0|1,0,2]=3 170 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,0,0,0,0,0|1,1,1]=3 171 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,0,0,0,0,0|3,0,0]=3 172 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,0,0,0,0,0|3,0,0]=3 173 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,0,0,0,0,0|3,0,0]=3 174 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.1 CCCNCSC#N 13544467129ba8b8d400327b8930a043 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,0,0,0,0,0|2,0,1]=3 177 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,0,0,0,0,0|2,0,1]=3 178 B7R0.1 CCCOCC#CI b3fbe418429aadfd38d92dd1bfb760b4 [0,0,0,0,0,0|2,0,2]=4 179 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,0,0,0,0,0|2,0,1]=3 180 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,0,0,0,0,0|2,0,1]=3 181 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,0,0,0,0,0|1,0,0]=1 182 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,0,0,0,0,0|2,0,1]=3 183 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,0,0,0,0,0|1,1,1]=3 184 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,0,0,0,0,0|3,0,0]=3 185 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,0,0,0,0,0|3,0,1]=4 187 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,0,0,0,0,0|2,0,1]=3 189 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,0,0,0,0,0|2,0,1]=3 190 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,0,0,0,0,0|1,0,2]=3 191 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,0,0,0,0,0|1,1,1]=3 192 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,0,0,0,0,0|3,0,0]=3 193 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,0,0,0,0,0|3,0,0]=3 194 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,0,0,0,0,0|3,0,1]=4 195 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,0,0,0,0,0|3,0,1]=4 196 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,0,0,0,0,0|1,0,2]=3 197 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,0,0,0,0,0|2,0,1]=3 198 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,0,0,0,0,0|1,0,0]=1 199 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,0,0,0,0,0|2,0,1]=3 200 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,0,0,0,0,0|1,1,1]=3 201 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,0,0,0,0,0|3,0,0]=3 202 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,0,0,0,0,0|3,0,0]=3 203 B7R0.1 CCOCCNC#N b1f1ec03337395c259b4adad9fada2ca [0,0,0,0,0,0|3,0,1]=4 204 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,0,0,0,0,0|2,0,0]=2 205 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,0,0,0,0,0|2,0,2]=4 207 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,0,0,0,0,0|2,0,0]=2 208 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,0,0,0,0,0|3,0,1]=4 209 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,0,0,0,0,0|3,0,1]=4 210 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,0,0,0,0,0|3,0,1]=4 211 B7R0.1 CCOCNCC#N 9018c9c6715e14ea9bdce32253585916 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,0,0,0,0,0|3,0,1]=4 213 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,0,0,0,0,0|3,0,1]=4 214 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,0,0,0,0,0|3,0,1]=4 215 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,0,0,0,0,0|2,0,2]=4 216 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,0,0,0,0,0|2,1,1]=4 217 B7R0.1 CCOCOCC#N 4fd83c3b911d632bd32bce6b5617b133 [0,0,0,0,0,0|3,0,1]=4 218 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,0,0,0,0,0|2,1,1]=4 219 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,0,0,0,0,0|4,0,0]=4 220 B7R0.1 CCSCCNC#N 146f8420c51eba76d3764a00770c7215 [0,0,0,0,0,0|3,0,1]=4 221 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,0,0,0,0,0|2,0,0]=2 222 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,0,0,0,0,0|2,0,2]=4 224 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,0,0,0,0,0|3,0,1]=4 225 B7R0.1 COCCCNC#N 0f6144afc64c8968181a8d95a7f06e48 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,0,0,0,0,0|2,0,0]=2 227 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,0,0,0,0,0|3,0,1]=4 228 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,0,0,0,0,0|2,0,2]=4 229 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,0,0,0,0,0|3,0,1]=4 230 B7R0.1 COCCNCC#N eb0c03abb6091d3cacb87bad68b043b8 [0,0,0,0,0,0|3,0,1]=4 231 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,0,0,0,0,0|2,0,0]=2 232 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,0,0,0,0,0|3,0,1]=4 233 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,0,0,0,0,0|3,0,1]=4 234 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,0,0,0,0,0|3,0,1]=4 235 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,0,0,0,0,0|2,0,2]=4 236 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,0,0,0,0,0|2,1,1]=4 237 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,0,0,0,0,0|4,0,0]=4 238 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,0,0,0,0,0|3,0,1]=4 240 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,0,0,0,0,0|2,0,0]=2 241 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,0,0,0,0,0|3,0,1]=4 242 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,0,0,0,0,0|2,1,1]=4 243 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,0,0,0,0,0|4,0,0]=4 244 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,0,0,0,0,0|4,0,0]=4 245 B7R0.1 COCNCCC#N cc2251ff8ea941c024cd02b8a471dad3 [0,0,0,0,0,0|3,0,1]=4 246 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,0,0,0,0,0|3,0,1]=4 247 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,0,0,0,0,0|2,0,2]=4 248 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,0,0,0,0,0|4,0,0]=4 249 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,0,0,0,0,0|4,0,0]=4 250 B7R0.1 COCOC/C=C/Cl 994ae41b4f65c0a98c067e16a7bbebbc [0,0,0,0,0,0|3,0,1]=4 251 B7R0.1 COCOC/C=C\Cl a8345f466233c47094d9b334a81e738d [0,0,0,0,0,0|3,0,1]=4 252 B7R0.1 COCOCC=CCl 9a66c372107792a1368a8939a87e14d7 [0,0,0,0,0,0|3,0,1]=4 253 B7R0.1 COCOCCC#N 27e16b974b5a8cc8e6db8589fb85ef21 [0,0,0,0,0,0|3,0,1]=4 254 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,0,0,0,0,0|2,0,0]=2 255 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,0,0,0,0,0|2,1,1]=4 257 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,0,0,0,0,0|4,0,0]=4 258 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [0,0,0,0,0,0|3,0,1]=4 259 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,0,0,0,0,0|2,0,0]=2 260 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,0,0,0,0,0|2,0,2]=4 262 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,0,0,0,0,0|3,0,1]=4 263 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,0,0,0,0,0|3,0,1]=4 264 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,0,0,0,0,0|2,0,0]=2 265 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,0,0,0,0,0|3,0,1]=4 266 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,0,0,0,0,0|3,0,1]=4 267 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,0,0,0,0,0|3,0,1]=4 268 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,0,0,0,0,0|2,0,2]=4 269 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,0,0,0,0,0|2,1,1]=4 270 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,0,0,0,0,0|4,0,0]=4 271 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,0,0,0,0,0|3,0,1]=4 272 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,0,0,0,0,0|2,0,0]=2 273 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,0,0,0,0,0|2,1,1]=4 275 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,0,0,0,0,0|4,0,0]=4 276 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [0,0,0,0,0,0|3,0,1]=4 277 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,0,0,0,0,0|3,0,1]=4 278 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,0,0,0,0,0|2,0,2]=4 279 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,0,0,0,0,0|4,0,0]=4 280 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,0,0,0,0,0|3,0,1]=4 282 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,0,0,0,0,0|3,0,1]=4 283 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,0,0,0,0,0|2,0,0]=2 284 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,0,0,0,0,0|3,0,1]=4 285 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,0,0,0,0,0|2,1,1]=4 286 B7R0.1 Cl/C=C/CNCCBr a898c9c27585bc3f60539dac3c0676de [0,0,0,0,0,0|3,0,1]=4 287 B7R0.1 Cl/C=C/CNCCI 00a1dbdade9235bd22d961e7e472f561 [0,0,0,0,0,0|3,0,1]=4 288 B7R0.1 Cl/C=C\CNCCBr 5f9e738d1cd916d21483c573b3f77f77 [0,0,0,0,0,0|3,0,1]=4 289 B7R0.1 Cl/C=C\CNCCI e11b10ba04c65ae9ec95fcacb63f0157 [0,0,0,0,0,0|3,0,1]=4 290 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,0,0,0,0,0|3,0,1]=4 291 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,0,0,0,0,0|3,0,1]=4 292 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,0,0,0,0,0|3,0,1]=4 293 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,0,0,0,0,0|3,0,1]=4 294 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,0,0,0,0,0|2,1,1]=4 295 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,0,0,0,0,0|3,0,1]=4 296 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,0,0,0,0,0|2,1,1]=4 297 B7R0.1 FCCNC/C=C/Cl b7b23ef958164209035bee1843d8e204 [0,0,0,0,0,0|3,0,1]=4 298 B7R0.1 FCCNC/C=C\Cl 65ef3070ca813d4e1121d72cff14c99e [0,0,0,0,0,0|3,0,1]=4 299 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,0,0,0,0,0|3,0,1]=4 300 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,0,0,0,0,0|2,1,1]=4 301 B7R0.1 FCCOC/C=C/Cl dc97194a3b37f111390ae9c49092a7c4 [0,0,0,0,0,0|3,0,1]=4 302 B7R0.1 FCCOC/C=C\Cl 4bede6a33603c0090a93c5765bbe74a4 [0,0,0,0,0,0|3,0,1]=4 303 B7R0.1 FCCOCC=CCl 92ca73e0aad22b80104a1e8aba43942a [0,0,0,0,0,0|3,0,1]=4 304 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,0,0,0,0,0|2,1,1]=4 305 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,0,0,0,0,0|2,1,1]=4 307 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,0,0,0,0,0|2,1,1]=4 308 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,0,0,0,0,0|2,0,1]=3 309 B7R0.1 N#CCCCNCF cd2cde5f004bd6525b8fd85e485c94d8 [0,0,0,0,0,0|3,0,1]=4 310 B7R0.1 N#CCCCNCO 5c0d2266f0898fe9160186844f3620ff [0,0,0,0,0,0|3,0,1]=4 311 B7R0.1 N#CCCCOCF 20aba03032603549301f549b721d3f57 [0,0,0,0,0,0|3,0,1]=4 312 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,0,0,0,0,0|2,0,1]=3 313 B7R0.1 N#CCCNCCBr 766e1679a78d579ddb7bc856cb5a929d [0,0,0,0,0,0|3,0,1]=4 314 B7R0.1 N#CCCNCCF bc7b3dfb7edae9ab7c7366b4782defc9 [0,0,0,0,0,0|3,0,1]=4 315 B7R0.1 N#CCCNCCI 0d66de89ca12501e3829bfb29e984d68 [0,0,0,0,0,0|3,0,1]=4 316 B7R0.1 N#CCCNCCO 1637f5afa2121e3ef5b132c03408ea0f [0,0,0,0,0,0|3,0,1]=4 317 B7R0.1 N#CCCNCCS 4e7ddebfb5f62ddd7b7f24b7ab183b45 [0,0,0,0,0,0|3,0,1]=4 318 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,0,0,0,0,0|2,0,1]=3 319 B7R0.1 N#CCCOCCF c2245ac04b4ed21d4611d8407215019c [0,0,0,0,0,0|3,0,1]=4 320 B7R0.1 N#CCCOCCS 5da7e76cd18cac10a7d2e2086ebead76 [0,0,0,0,0,0|3,0,1]=4 321 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,0,0,0,0,0|2,0,1]=3 322 B7R0.1 N#CCNCCCCl 32c8ddf5121a62d37792f26f283a5412 [0,0,0,0,0,0|3,0,1]=4 323 B7R0.1 N#CCNCCCF e866cd5c080968efadf88b59dc1a8a68 [0,0,0,0,0,0|3,0,1]=4 324 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,0,0,0,0,0|3,0,1]=4 325 B7R0.1 N#CCNCCCS abeed03b2458f68a81ef6d1caa8a7822 [0,0,0,0,0,0|3,0,1]=4 326 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,0,0,0,0,0|2,0,1]=3 327 B7R0.1 N#CCOCCCF 0987b6cf0dc97782d95acca8f31d2cc8 [0,0,0,0,0,0|3,0,1]=4 328 B7R0.1 N#CCOCCCS 3c2defd9fab2628e3af6d6b3cfddb262 [0,0,0,0,0,0|3,0,1]=4 329 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,0,0,0,0,0|2,0,1]=3 330 B7R0.1 N#CNCCCCF 293aa64c3e1b35abd5e5acc5aa0ddc2f [0,0,0,0,0,0|3,0,1]=4 331 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,0,0,0,0,0|3,0,1]=4 332 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,0,0,0,0,0|3,0,0]=3 333 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,0,0,0,0,0|4,0,0]=4 334 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,0,0,0,0,0|4,0,0]=4 335 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,0,0,0,0,0|4,0,0]=4 336 B7R0.1 O/C=C\CNCCBr 78bf6909c3dee8af6d6cdaed4572acf8 [0,0,0,0,0,0|2,0,2]=4 337 B7R0.1 O/C=C\CNCCF 4dd7dedef3f23a2dff56fd2bf610c971 [0,0,0,0,0,0|2,0,2]=4 338 B7R0.1 O/C=C\CNCCI 45e0f365c7fdd440595555325ab875e7 [0,0,0,0,0,0|2,0,2]=4 339 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,0,0,0,0,0|2,0,2]=4 340 B7R0.1 O/C=C\CNCCS 85de73db1b0a9675523938141a7b3b56 [0,0,0,0,0,0|2,0,2]=4 341 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,0,0,0,0,0|2,0,2]=4 342 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,0,0,0,0,0|2,0,0]=2 343 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,0,0,0,0,0|2,0,0]=2 344 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,0,0,0,0,0|2,0,0]=2 345 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,0,0,0,0,0|2,0,0]=2 346 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,0,0,0,0,0|2,0,0]=2 347 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,0,0,0,0,0|2,0,0]=2 348 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,0,0,0,0,0|2,0,1]=3 349 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,0,0,0,0,0|2,0,0]=2 350 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,0,0,0,0,0|2,0,0]=2 351 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,0,0,0,0,0|2,0,0]=2 352 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,0,0,0,0,0|2,0,0]=2 353 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [0,0,0,0,0,0|2,0,2]=4 354 B7R0.1 O=CCOCC#CI 93cf4705f161321abdff65ea9fb521f4 [0,0,0,0,0,0|2,0,2]=4 355 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [0,0,0,0,0,0|2,0,2]=4 356 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,0,0,0,0,0|2,0,0]=2 357 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,0,0,0,0,0|2,0,0]=2 358 B7R0.1 O=CNCC#CCO de36c027e3f97477ee098e50b3b66fc9 [0,0,0,0,0,0|2,0,2]=4 359 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,0,0,0,0,0|2,0,0]=2 360 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,0,0,0,0,0|2,0,0]=2 361 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,0,0,0,0,0|2,0,0]=2 362 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,0,0,0,0,0|3,0,0]=3 363 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,0,0,0,0,0|3,0,0]=3 364 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,0,0,0,0,0|2,0,2]=4 365 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,0,0,0,0,0|2,0,2]=4 366 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,0,0,0,0,0|2,0,2]=4 367 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,0,0,0,0,0|2,0,2]=4 368 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,0,0,0,0,0|2,0,2]=4 369 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,0,0,0,0,0|2,0,2]=4 370 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,0,0,0,0,0|2,0,2]=4 371 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,0,0,0,0,0|3,0,1]=4 372 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,0,0,0,0,0|3,0,1]=4 373 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,0,0,0,0,0|2,0,2]=4 374 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,0,0,0,0,0|2,0,2]=4 375 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,0,0,0,0,0|2,0,2]=4 376 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,0,0,0,0,0|2,0,2]=4 377 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,0,0,0,0,0|2,0,2]=4 378 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,0,0,0,0,0|2,1,1]=4 379 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,0,0,0,0,0|2,1,1]=4 380 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,0,0,0,0,0|2,1,1]=4 381 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,0,0,0,0,0|2,1,1]=4 382 B7R0.1 SCCNC/C=C/Cl 58611a5a7bd77ac2c4a64663c742d1ef [0,0,0,0,0,0|3,0,1]=4 383 B7R0.1 SCCNC/C=C\Cl c85523c5f50163c82350c1ac2d0a1c6d [0,0,0,0,0,0|3,0,1]=4 384 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,0,0,0,0,0|2,1,1]=4 385 B7R0.1 SCCOC/C=C/Cl 2290f8b86457030238798819e28c69e8 [0,0,0,0,0,0|3,0,1]=4 386 B7R0.1 SCCOC/C=C\Cl a4e7cdee69690eb63831ad52adb243f6 [0,0,0,0,0,0|3,0,1]=4 387 B7R0.1 SCCOCC=CCl 7bef249009c91ae7b2a1a8047a4ea984 [0,0,0,0,0,0|3,0,1]=4 388 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [1,0,0,0,0,0|1,0,2]=4 389 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [1,0,0,0,0,0|1,0,2]=4 390 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,0,0,0,0|1,0,2]=4 391 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [1,0,0,0,0,0|1,0,2]=4 392 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,0,0,0,0,0|1,0,2]=4 393 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [1,0,0,0,0,0|1,0,2]=4 394 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,0,0,0,0,0|1,0,2]=4 395 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,0,0,0,0,0|1,0,2]=4 398 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,0,0,0,0,0|1,0,1]=3 399 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,0,0,0,0,0|2,0,1]=4 401 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|1,0,1]=3 402 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,0,0,0,0,0|2,0,1]=4 404 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,0,0,0,0,0|1,0,1]=3 405 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,0,0,0,0,0|2,0,1]=4 407 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,0,0,0,0,0|2,0,1]=4 408 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,0,0,0,0,0|2,0,1]=4 409 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,0,0,0,0|1,0,1]=3 410 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [1,0,0,0,0,0|1,0,2]=4 414 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|2,0,1]=4 415 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [1,0,0,0,0,0|2,0,1]=4 417 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|1,0,0]=2 418 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|1,0,1]=3 419 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|2,0,0]=3 420 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|1,0,1]=3 421 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|1,0,1]=3 422 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,0,0,0,0,0|1,0,0]=2 425 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|2,0,0]=3 426 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|1,0,1]=3 427 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|2,0,0]=3 428 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|2,0,0]=3 429 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|1,0,1]=3 430 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|1,1,0]=3 431 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|2,0,1]=4 432 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,0,0,0,0,0|2,0,1]=4 434 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,0,0,0,0,0|1,0,0]=2 435 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|1,0,1]=3 436 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|2,0,0]=3 437 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|1,1,0]=3 438 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|2,0,1]=4 439 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|2,0,1]=4 440 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|1,0,1]=3 443 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|2,0,1]=4 444 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|2,0,1]=4 446 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|2,0,1]=4 448 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|1,0,0]=2 450 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|2,0,0]=3 451 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|1,1,0]=3 452 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|2,0,1]=4 453 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|2,0,1]=4 454 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,0,0,0,0,0|2,0,0]=3 455 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [1,0,0,0,0,0|3,0,0]=4 456 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,0,0,0,0,0|2,0,1]=4 457 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,0,0,0,0,0|3,0,0]=4 458 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [1,0,0,0,0,0|3,0,0]=4 459 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [1,0,0,0,0,0|3,0,0]=4 460 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [1,0,0,0,0,0|3,0,0]=4 461 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [1,0,0,0,0,0|2,1,0]=4 463 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,0,0,0,0,0|2,0,0]=3 464 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [1,0,0,0,0,0|3,0,0]=4 465 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [1,0,0,0,0,0|2,1,0]=4 466 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [1,0,0,0,0,0|3,0,0]=4 468 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [1,0,0,0,0,0|3,0,0]=4 471 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [1,0,0,0,0,0|3,0,0]=4 473 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [1,0,0,0,0,0|2,0,1]=4 474 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [1,0,0,0,0,0|2,1,0]=4 475 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [1,0,0,0,0,0|2,1,0]=4 477 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,0,0,0,0,0|3,0,0]=4 478 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [1,0,0,0,0,0|3,0,0]=4 479 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [1,0,0,0,0,0|3,0,0]=4 481 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [1,0,0,0,0,0|2,1,0]=4 482 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [1,0,0,0,0,0|3,0,0]=4 483 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [1,0,0,0,0,0|2,1,0]=4 484 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [1,0,0,0,0,0|3,0,0]=4 485 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,0,0,0,0,0|2,1,0]=4 486 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [1,0,0,0,0,0|2,0,1]=4 487 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [1,0,0,0,0,0|2,0,1]=4 489 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,0,0,0,0,0|3,0,0]=4 491 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,0,0,0,0,0|2,0,0]=3 492 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,0,0,0,0,0|2,0,0]=3 493 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,0,0,0,0,0|2,0,0]=3 494 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,0,0,0,0,0|2,0,0]=3 495 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,0,0,0,0,0|2,0,0]=3 497 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,0,0,0,0,0|2,0,0]=3 498 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,0,0,0,0,0|2,0,0]=3 499 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,0,0,0,0,0|2,0,0]=3 500 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,0,0,0,0,0|2,0,0]=3 501 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [1,0,0,0,0,0|2,0,1]=4 502 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [1,0,0,0,0,0|2,0,1]=4 503 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,0,0,0,0,0|2,0,1]=4 504 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,0,0,0,0,0|2,0,1]=4 505 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,0,0,0,0,0|2,0,1]=4 506 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,0,0,0,0|2,0,1]=4 508 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [1,0,0,0,0,0|2,0,1]=4 509 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [1,0,0,0,0,0|2,1,0]=4 510 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [1,0,0,0,0,0|2,1,0]=4 511 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [1,0,0,0,0,0|2,1,0]=4 512 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [1,0,0,0,0,0|2,1,0]=4 513 B8R0.1 C#CCC(C)OCC=O 6f35cb4bf7bb16a3eee8311ce03cd4d2 [0,1,0,0,0,0|1,0,2]=4 514 B8R0.1 C#CCC(C)OCCC 726b29ef337798823059b3efca55fe70 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.1 C#CCCN(C)CC=O abfe3994cf7670d80dbb5df8b8fa93fa [0,1,0,0,0,0|1,0,2]=4 516 B8R0.1 C#CCCN(C)CCC cdc20a350213388c78fedf3324acbb02 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.1 C#CCN(C)CCC=O abee002607871288bd00a9ef0fa249c8 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.1 C#CCN(C)CCCC de56360222bc19dd6ae6e2cbd1d04e4c [0,1,0,0,0,0|2,0,1]=4 519 B8R0.1 C#CCNC(C)CCC 904a95c2d539aee151943a21e058e5d4 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.1 C#CCN[C@@H](C)CCC 3830c22a3d09976b992f49636d5b1dfd [0,1,0,0,0,0|2,0,1]=4 521 B8R0.1 C#CCOC(C)CCC 292a9da26dd6fef6b77c2dfe0aefdcd5 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.1 C#CCO[C@@H](C)CCC 59461e1b1d7a142b510d19a0b98bf0f8 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.1 C#CCO[C@H](C)CCC 2bb84b902e1ccc7a64fd1f85c25c42f1 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [0,1,0,0,0,0|1,0,2]=4 525 B8R0.1 C/C=C/C(C)OCCC 63733f028ee2622e94a5b800971df6ec [0,1,0,0,0,0|2,0,1]=4 526 B8R0.1 C/C=C/CN(C)CCC 68fa4beb90f4e459d9bc957a029629eb [0,1,0,0,0,0|2,0,1]=4 527 B8R0.1 C/C=C\CN(C)CCC d8f36325b90dad42a1f23b0fb5c73ea6 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,0,0,0,0|2,0,1]=4 529 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,1,0,0,0,0|2,0,0]=3 530 B8R0.1 C=CCC(C)COCF 1addc2f48251cfde760e48a173ade9f6 [0,1,0,0,0,0|3,0,0]=4 531 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [0,1,0,0,0,0|1,0,2]=4 532 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,1,0,0,0,0|2,0,0]=3 533 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,1,0,0,0,0|3,0,0]=4 534 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,1,0,0,0,0|3,0,0]=4 535 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,1,0,0,0,0|3,0,0]=4 536 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,1,0,0,0,0|3,0,0]=4 537 B8R0.1 C=CCC(O)CNC=O bd60316b28a4da54cc901c5bd26e442c [0,1,0,0,0,0|1,0,2]=4 538 B8R0.1 C=CCC(O)CNCC aa1682f0a7f6c65d6e9eb9dff4402815 [0,1,0,0,0,0|2,0,0]=3 539 B8R0.1 C=CCC(O)CNCF c0bdf6f8ca06080a80ef62d0a41a2190 [0,1,0,0,0,0|3,0,0]=4 540 B8R0.1 C=CCC(O)CNCO 204a1c2d99d2ab906e0c45b9fba04cd9 [0,1,0,0,0,0|3,0,0]=4 541 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,0,0,0,0|2,0,0]=3 542 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [0,1,0,0,0,0|3,0,0]=4 543 B8R0.1 C=CCCN(C)CC=O b6583e7bc93735d44a280421bb97021c [0,1,0,0,0,0|1,0,2]=4 544 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.1 C=CCCN(C)CCF 835eed401a0b6b3a5be304461679a35c [0,1,0,0,0,0|3,0,0]=4 546 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [0,1,0,0,0,0|3,0,0]=4 547 B8R0.1 C=CCCN(C)CCS f218cadc93d673ae19aa3c1af9e0544c [0,1,0,0,0,0|3,0,0]=4 548 B8R0.1 C=CCCN(C)COC 3f390760d606763d10d3e6dd76b889ee [0,1,0,0,0,0|3,0,0]=4 549 B8R0.1 C=CCCN(C)CSC bcba3911193dd2dd65f054dc7e7e5d60 [0,1,0,0,0,0|3,0,0]=4 550 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,0,0,0,0|2,0,0]=3 551 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.1 C=CCN(C)CCC=O 342d88422510b840605a3009ff48b522 [0,1,0,0,0,0|1,0,2]=4 553 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.1 C=CCN(C)CCCF 321f3b1711738193a09039846d139e57 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.1 C=CCN(C)CCCO 9b92752ecae5d7c0bd7bb52b6f94bdc6 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.1 C=CCN(C)CCCS 61cf49fc564e4db05ae16346ec0e4e78 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.1 C=CCN(C)CCOC 35c6a7bb506c9bbb574bc4cf97ada70e [0,1,0,0,0,0|3,0,0]=4 558 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [0,1,0,0,0,0|3,0,0]=4 559 B8R0.1 C=CCN(C)COCC 5ff4c124ad3f579f89631f8abd7975f7 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,1,0,0,0,0|2,0,0]=3 561 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [0,1,0,0,0,0|3,0,0]=4 563 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,1,0,0,0,0|2,0,0]=3 564 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [0,1,0,0,0,0|3,0,0]=4 565 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [0,1,0,0,0,0|3,0,0]=4 566 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,1,0,0,0,0|2,0,0]=3 570 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,1,0,0,0,0|3,0,0]=4 571 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,1,0,0,0,0|2,0,0]=3 573 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,1,0,0,0,0|2,0,0]=3 575 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [0,1,0,0,0,0|1,0,2]=4 577 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,1,0,0,0,0|2,0,0]=3 578 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,1,0,0,0,0|3,0,0]=4 579 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,1,0,0,0,0|3,0,0]=4 580 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,1,0,0,0,0|3,0,0]=4 581 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [0,1,0,0,0,0|1,0,2]=4 583 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,1,0,0,0,0|2,0,0]=3 584 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.1 CC#CC(C)OCC=O 0936b2d98ed4cec8bffedc9581b11964 [0,1,0,0,0,0|1,0,2]=4 589 B8R0.1 CC(CC#N)NCC=O 876ecee87e936959217fd59643b77cf7 [0,1,0,0,0,0|2,0,1]=4 590 B8R0.1 CC(CC#N)OCC=O 510ddb57839fab432176d9d3dc4d1852 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.1 CC(CCCO)NC=O 15bbe5f218049b8debf6ff63d25de29f [0,1,0,0,0,0|2,0,0]=3 592 B8R0.1 CC(CCO)CNC=O 494f744824d462f62341eadad29d83d3 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,1,0,0,0,0|1,0,2]=4 595 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,1,0,0,0,0|2,0,1]=4 596 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,1,0,0,0,0|1,0,1]=3 597 B8R0.1 CCCC(C)CNC#N c3be8e8d2214c40f927f4d3b04c074a9 [0,1,0,0,0,0|2,0,1]=4 598 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,0,0,0,0|2,0,1]=4 599 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,1,0,0,0,0|2,0,1]=4 600 B8R0.1 CCCC(C)NCC#N 922f6b6c54005aee290e90bbc567adb3 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,1,0,0,0,0|1,0,0]=2 602 B8R0.1 CCCC(C)NCCBr 753adf372612d932eb167d3c6c6a7373 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.1 CCCC(C)NCCF 561290ca4cbab4d4179520d904990ead [0,1,0,0,0,0|2,0,1]=4 604 B8R0.1 CCCC(C)NCCI 853631fdd24c7675889f7c8342411ed2 [0,1,0,0,0,0|2,0,1]=4 605 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,1,0,0,0,0|1,0,2]=4 606 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,1,0,0,0,0|1,1,1]=4 607 B8R0.1 CCCC(C)NCOC 7593556ba3b3358786240e76b9dc1cde [0,1,0,0,0,0|3,0,0]=4 608 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,1,0,0,0,0|3,0,0]=4 609 B8R0.1 CCCC(C)OCC#N 4085f27291709d3acf54fc2da94130ba [0,1,0,0,0,0|2,0,1]=4 610 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,0,0,0,0|1,0,0]=2 611 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,1,0,0,0,0|1,1,1]=4 613 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,1,0,0,0,0|1,0,0]=2 616 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.1 CCCC(O)CNCF 9e922850e385a2cbcd148cdd0ed96f6f [0,1,0,0,0,0|2,0,1]=4 618 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,1,0,0,0,0|1,0,2]=4 619 B8R0.1 CCCCC(C)NC#N 784eb56f230698d9aa3d1010255fd9a5 [0,1,0,0,0,0|2,0,1]=4 620 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,1,0,0,0,0|1,0,0]=2 621 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,1,0,0,0,0|1,0,2]=4 624 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.1 CCCCN(C)CC#N dd5de4574dc2a46299d3de21d54f76a5 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,1,0,0,0,0|1,0,0]=2 628 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.1 CCCCN(C)CCF dea221ed9395f7cb1e71d7be0afd021b [0,1,0,0,0,0|2,0,1]=4 630 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,1,0,0,0,0|1,0,2]=4 631 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,1,0,0,0,0|1,1,1]=4 632 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,1,0,0,0,0|3,0,0]=4 634 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,1,0,0,0,0|1,0,0]=2 635 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,1,0,0,0,0|1,0,2]=4 638 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,0,0,0,0|2,0,1]=4 640 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.1 CCCN(C)C/C=C/Cl 053be1c3804b0f40a9cdad829ccbf7bd [0,1,0,0,0,0|2,0,1]=4 643 B8R0.1 CCCN(C)C/C=C\Cl 1125c72ad5f10029dac46adbd18ceff1 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.1 CCCN(C)C/C=C\O 2a082a41c2329b960b6a0761624140ea [0,1,0,0,0,0|1,0,2]=4 645 B8R0.1 CCCN(C)CCC#N e21f2e5795e35a80e55b6ba896f984f5 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,1,0,0,0,0|1,0,0]=2 647 B8R0.1 CCCN(C)CCCF 59925d2d70ed2cd32e04f065de645944 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,1,0,0,0,0|1,0,2]=4 649 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,1,0,0,0,0|1,1,1]=4 650 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,1,0,0,0,0|3,0,0]=4 651 B8R0.1 CCCN(C)CCON ddea99dfcac5cbaa7bc869b004f79f3a [0,1,0,0,0,0|3,0,0]=4 652 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,1,0,0,0,0|3,0,0]=4 653 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,0,0,0,0|1,0,1]=3 654 B8R0.1 CCCNC(C)CC#N 43b32c6da36abb9ca868ef3a72e99b78 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,1,0,0,0,0|1,0,2]=4 657 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,1,0,0,0,0|3,0,0]=4 658 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,1,0,0,0,0|1,0,2]=4 660 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,1,0,0,0,0|3,0,0]=4 661 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,1,0,0,0,0|1,0,2]=4 662 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,1,0,0,0,0|3,0,0]=4 663 B8R0.1 CCCOC(C)CC#N 407318eac9e44ed191090c3a4ee1db31 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,0,0,0,0|2,0,1]=4 665 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.1 CCCO[C@@H](C)CC#N e1cc5f2702a0bdb4ec145d80cec246cf [0,1,0,0,0,0|2,0,1]=4 668 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,0,0,0,0|2,0,1]=4 669 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,1,0,0,0,0|3,0,0]=4 670 B8R0.1 CCCO[C@H](C)CC#N 92b4d59f363ebe9abc712b1a1f2a0233 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,0,0,0,0|2,0,1]=4 672 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.1 CCC[C@@H](C)OCC#N 6cfa39cf188e361c410ed92789c272b5 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,0,0,0,0|1,0,0]=2 675 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,1,0,0,0,0|2,0,1]=4 676 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,1,0,0,0,0|1,1,1]=4 677 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,1,0,0,0,0|3,0,0]=4 678 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.1 CCC[C@H](C)NCC#N f729fd78de4d2dbac625f813b0bf3743 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,1,0,0,0,0|1,0,0]=2 681 B8R0.1 CCC[C@H](C)NCCF ad34b2e1bc15d73c299f2f9233e9fc6d [0,1,0,0,0,0|2,0,1]=4 682 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,1,0,0,0,0|1,0,2]=4 683 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,1,0,0,0,0|1,1,1]=4 684 B8R0.1 CCC[C@H](C)NCOC e6035597a8eb8fe082f6fe480c7fc30b [0,1,0,0,0,0|3,0,0]=4 685 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.1 CCC[C@H](C)OCC#N a65ccb7a75a6f63c6043f7514ae51a4c [0,1,0,0,0,0|2,0,1]=4 687 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,0,0,0,0|1,0,0]=2 688 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,1,0,0,0,0|1,1,1]=4 690 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,1,0,0,0,0|3,0,0]=4 691 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,1,0,0,0,0|3,0,0]=4 692 B8R0.1 CCNC(=O)CNC=O d640e3fac3bdd04f4eea38aa909b37a0 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,1,0,0,0,0|1,0,2]=4 694 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,1,0,0,0,0|1,0,2]=4 695 B8R0.1 CCNCC(O)COC f6b0536e22df73e563264ad1928c3a48 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.1 CCNC[C@H](O)COC 5c0728270cf850017ded59cb547c9167 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,1,0,0,0,0|1,0,2]=4 698 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,1,0,0,0,0|2,0,0]=3 702 B8R0.1 CN(CC#N)CCC=O 82910c4293b6e33f66d0d331bb763af3 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.1 CN(CC=O)CCC#N 2b7af8a14631e012502622d7a3c9dfed [0,1,0,0,0,0|2,0,1]=4 704 B8R0.1 CN(CC=O)CCCO e829ef1e39177735d96baabedb183026 [0,1,0,0,0,0|2,0,0]=3 705 B8R0.1 CN(CC=O)CCON e216ea3a47e02385fd3a2622ad7fa59d [0,1,0,0,0,0|3,0,0]=4 706 B8R0.1 CN(CCF)CCC=O 8931c69c0220d8a040f4b6d70039493e [0,1,0,0,0,0|2,0,0]=3 707 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,1,0,0,0,0|2,0,0]=3 708 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,1,0,0,0,0|2,0,0]=3 709 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,1,0,0,0,0|2,0,0]=3 710 B8R0.1 COCC(O)CNC=O dcf0e3098a4084e4af6a40d5ee812c91 [0,1,0,0,0,0|2,0,0]=3 711 B8R0.1 COCCN(C)CC=O c7dafc3b396de10656291e435de6410a [0,1,0,0,0,0|2,0,0]=3 712 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,1,0,0,0,0|2,0,0]=3 714 B8R0.1 COC[C@@H](O)CNC=O 17b12184b93d1444bd3c1cfdf3acf27b [0,1,0,0,0,0|2,0,0]=3 715 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,1,0,0,0,0|2,0,0]=3 716 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,1,0,0,0,0|2,0,0]=3 717 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,1,0,0,0,0|2,0,0]=3 718 B8R0.1 CSCCN(C)CC=O 89a7838ed9276e35ce7d12178b247609 [0,1,0,0,0,0|2,0,0]=3 719 B8R0.1 C[C@@H](CC#N)OCC=O fbb86d03e87cb409bf21e60c3df05582 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,1,0,0,0,0|2,0,0]=3 721 B8R0.1 C[C@H](CC#N)OCC=O 5dee6ecc90844b5e78d82d86547d8772 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.1 C[C@H](CCCO)NC=O 76787ce64f2b79059513d880ee57c0da [0,1,0,0,0,0|2,0,0]=3 723 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,1,0,0,0,0|2,0,0]=3 724 B8R0.1 O=CCC(=O)NCCBr 8b1b2be7d6ffc84641a1c6691a60af35 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.1 O=CCC(=O)NCCF 4ea801c19e9d5e221b09c0d94e9d22d6 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.1 O=CCC(=O)NCCI 5e46bfbd499e49eb692800cabe7dbb38 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.1 O=CCC(=O)NCCS a557fd8735c6b5636e1772043f123e46 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.4 C#CCCCCNC=O fab4e18c7200300872a81b2f8c434fc9 [0,1,0,0,0,0|0,0,2]=3 730 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [0,1,0,0,0,0|1,0,1]=3 731 B8R0.4 C#CCCCCNCF b96c01af913607615db56209d5dc1d37 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.4 C#CCCCCNCO 713332b53916ce2116df67b917d68308 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [0,1,0,0,0,0|1,0,1]=3 734 B8R0.4 C#CCCCCOCF 457192db2975f5222596594c36c54591 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.4 C#CCCCNCC=C 5f2e28ed26be6b1918542a15db0ea2dd [0,1,0,0,0,0|1,0,2]=4 736 B8R0.4 C#CCCCNCC=O 414eda3adfc1222b484fdc6699f74335 [0,1,0,0,0,0|0,0,2]=3 737 B8R0.4 C#CCCCNCCBr f2af2d6274c87b2da8b78cf74c23a2c2 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [0,1,0,0,0,0|1,0,1]=3 739 B8R0.4 C#CCCCNCCF 353420c6bf23589b417ed5c3cae31e27 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.4 C#CCCCNCCI 1cf8a1cd03b37b4032b78b8450d40832 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.4 C#CCCCNCCO 749d8851342805764acc32afca683de9 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.4 C#CCCCNCCS b19a8e13e34c874cb97e8453a9277ea7 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.4 C#CCCCNCOC df8adc2217c14747dfcdd9a13847d361 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.4 C#CCCCNCSC d1e7b7c6307a3a2fb9a77e08eeaa2e5c [0,1,0,0,0,0|2,0,1]=4 745 B8R0.4 C#CCCCOCC=C c39c47b680023e071738dee179943a8b [0,1,0,0,0,0|1,0,2]=4 746 B8R0.4 C#CCCCOCC=O 2bd65d8b9d5cba6b9cf170827e92955f [0,1,0,0,0,0|0,0,2]=3 747 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [0,1,0,0,0,0|1,0,1]=3 748 B8R0.4 C#CCCCOCCF 10d8dde60c1dcaf55cf37451c45f7a55 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.4 C#CCCCOCCS 82123731fa65d90c2c556787eb967ee2 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.4 C#CCCCOCOC 396f346cd0a5757504fe3ce81de20dd4 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.4 C#CCCNCCC=C 9794b7468c99ece409ea6b212e97182c [0,1,0,0,0,0|1,0,2]=4 753 B8R0.4 C#CCCNCCC=O bc9ca51a96083c72c5825d8142093fbc [0,1,0,0,0,0|0,0,2]=3 754 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [0,1,0,0,0,0|1,0,1]=3 755 B8R0.4 C#CCCNCCCCl 6450cc1c6d43bfbf75bed081767d4d88 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.4 C#CCCNCCCF 25fb8234442dd9dba26d8860b530373e [0,1,0,0,0,0|2,0,1]=4 757 B8R0.4 C#CCCNCCCO 74bbabadd82ed586e64e71b666d35898 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.4 C#CCCNCCCS 6a544d20c8b3dcf2a969bb15e83782f2 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.4 C#CCCNCCOC 08e62ace3404cee3ceba4678d3bff0ce [0,1,0,0,0,0|2,0,1]=4 760 B8R0.4 C#CCCNCCSC 0ffb0f65d63792827dae550b83359c51 [0,1,0,0,0,0|2,0,1]=4 761 B8R0.4 C#CCCNCOCC 460d48a83ce91273f9bdb69ff25650ff [0,1,0,0,0,0|2,0,1]=4 762 B8R0.4 C#CCCOCCC=C 4c8b9c2c0d72c631a7974d3087fff62e [0,1,0,0,0,0|1,0,2]=4 763 B8R0.4 C#CCCOCCC=O 7ad6db0675809531b0be56beb69dc38e [0,1,0,0,0,0|0,0,2]=3 764 B8R0.4 C#CCCOCCCC 85c008a45b6353cea119cc5cda149ac2 [0,1,0,0,0,0|1,0,1]=3 765 B8R0.4 C#CCCOCCCF 64f2653c4d46aac9fc45491f36dff66d [0,1,0,0,0,0|2,0,1]=4 766 B8R0.4 C#CCCOCCCS af0bd4614486613386b889952c953877 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.4 C#CCCOCCOC 919a96412a1e4c793962b40a0d4bf31c [0,1,0,0,0,0|2,0,1]=4 768 B8R0.4 C#CCCOCCSC 25dc589773d3fea7b865bb1dd21ccf91 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.4 C#CCCOCOCC 8e084814a9b0f1acd11ad9efdba978dd [0,1,0,0,0,0|2,0,1]=4 770 B8R0.4 C#CCNCCCC=C 7b26c6616ec148321d3d4ce1e87fbe89 [0,1,0,0,0,0|1,0,2]=4 771 B8R0.4 C#CCNCCCC=O db8630cf98ea651c43d6ca8234e0542b [0,1,0,0,0,0|0,0,2]=3 772 B8R0.4 C#CCNCCCCC 6449ee4961bcec0a8b702070fb728670 [0,1,0,0,0,0|1,0,1]=3 773 B8R0.4 C#CCNCCCCCl 1867391de6a5cc12e424dfa7fc80d769 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.4 C#CCNCCCCF 8d110c0b63d8cfee55435be016f2978a [0,1,0,0,0,0|2,0,1]=4 775 B8R0.4 C#CCNCCCCO d42948e5f929eb2d4664076420e784e7 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.4 C#CCNCCCCS e344ac9edb6704accea8693b87a436bf [0,1,0,0,0,0|2,0,1]=4 777 B8R0.4 C#CCNCCCOC ca16b081835a976ee67cb17341561d04 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.4 C#CCNCCCSC 2b3cc08e7dbd0ca3e268d49f603a07e3 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.4 C#CCNCCOCC da758c3e7c046b8ecbe96c01a9a076b5 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.4 C#CCNCCSCC 40d98a57cb45f0e17ec5887c9f82cb7c [0,1,0,0,0,0|2,0,1]=4 781 B8R0.4 C#CCOCCCC=C 556d0cf131aedf00ec9b50a54ed64d0e [0,1,0,0,0,0|1,0,2]=4 782 B8R0.4 C#CCOCCCC=O b1ce2abc243e0e37befceddf354af1b6 [0,1,0,0,0,0|0,0,2]=3 783 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [0,1,0,0,0,0|1,0,1]=3 784 B8R0.4 C#CCOCCCCF d625dd293087f9d297711b05eb7cb7f1 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.4 C#CCOCCCCS 08ffc40040f2b4e6c271a58c4d52d007 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.4 C#CCOCCCOC 30a8118957e99c5f37b721ef3e72eebb [0,1,0,0,0,0|2,0,1]=4 787 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.4 C#CCOCCNC=O 43850eeec559621ffeaebea73d916f82 [0,1,0,0,0,0|1,0,2]=4 789 B8R0.4 C#CCOCCNCC 69dc12126588c17be59a3aa9b28487ba [0,1,0,0,0,0|2,0,1]=4 790 B8R0.4 C#CCOCCOC=O 377001fa3c1ab01254e3078c71ef3ae2 [0,1,0,0,0,0|1,0,2]=4 791 B8R0.4 C#CCOCCOCC 8b3aed694778a9f49bea51fbc8b8fa73 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.4 C#CCOCCSCC a29fc9ef5965efb64b51b39cd1c894a4 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,1,0,0,0,0|1,0,1]=3 794 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [0,1,0,0,0,0|2,0,1]=4 795 B8R0.4 C/C=C/CCOCC=O 5db978802355adcac3a83b93d1859621 [0,1,0,0,0,0|0,0,2]=3 796 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,1,0,0,0,0|1,0,1]=3 797 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [0,1,0,0,0,0|2,0,1]=4 798 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,1,0,0,0,0|2,0,1]=4 801 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,1,0,0,0,0|1,0,1]=3 802 B8R0.4 C/C=C/CNCCCCl 03ba0747791691f90dfc81ef7ba2974e [0,1,0,0,0,0|2,0,1]=4 803 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,1,0,0,0,0|2,0,1]=4 804 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,1,0,0,0,0|2,0,1]=4 805 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [0,1,0,0,0,0|2,0,1]=4 806 B8R0.4 C/C=C/COCCC=O a43ce373801c50acebabd363747860bf [0,1,0,0,0,0|0,0,2]=3 807 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,1,0,0,0,0|1,0,1]=3 808 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,1,0,0,0,0|2,0,1]=4 811 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.4 C/C=C/COCOCC 83fafc5a971bddf153afd7782635012a [0,1,0,0,0,0|2,0,1]=4 813 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,1,0,0,0,0|1,0,1]=3 814 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,1,0,0,0,0|1,0,1]=3 816 B8R0.4 C/C=C\CNCCCCl 3f4156c1c818ac8938afc4c777ade544 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,1,0,0,0,0|2,0,1]=4 818 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.4 C/C=C\COCCC=O c26106eb88bd1cd81d1af342374c2631 [0,1,0,0,0,0|0,0,2]=3 821 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,1,0,0,0,0|1,0,1]=3 822 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [0,1,0,0,0,0|2,0,1]=4 824 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,1,0,0,0,0|2,0,1]=4 825 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.4 C/C=C\COCOCC 8821190837d805b84bead9ce40320be3 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [0,1,0,0,0,0|1,0,2]=4 828 B8R0.4 C=C=CCCOCC=O 7d1b287becd2562a9e8b56e216e91c79 [0,1,0,0,0,0|0,0,3]=4 829 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [0,1,0,0,0,0|2,0,0]=3 830 B8R0.4 C=C=CCCOCCF f40e7017906a65586f65aa56e6d85ac0 [0,1,0,0,0,0|3,0,0]=4 831 B8R0.4 C=C=CCCOCCS 723ca99ff484a460d7bc5e5895255b76 [0,1,0,0,0,0|3,0,0]=4 832 B8R0.4 C=C=CCCOCOC e24b81246032baf9568f4ee87007f7e8 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.4 C=CCCCCNC#N 144e7067f30cd1f273087bf1eaa24e3b [0,1,0,0,0,0|2,0,1]=4 835 B8R0.4 C=CCCCCNC=O d1a18970ef82160dc43ff2316b351101 [0,1,0,0,0,0|0,0,2]=3 836 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,1,0,0,0,0|1,0,0]=2 837 B8R0.4 C=CCCCCNCF 66d1b08c51ad91b8d794558a3082c457 [0,1,0,0,0,0|2,0,0]=3 838 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,1,0,0,0,0|2,0,0]=3 839 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,1,0,0,0,0|1,0,0]=2 840 B8R0.4 C=CCCCCOCF 652425cff1f9489e7dc290eddd18987a [0,1,0,0,0,0|2,0,0]=3 841 B8R0.4 C=CCCCNCC#N 2bf4426d43ec9f9f1def9c32c3027020 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [0,1,0,0,0,0|1,0,2]=4 843 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [0,1,0,0,0,0|0,0,2]=3 844 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [0,1,0,0,0,0|2,0,0]=3 845 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,1,0,0,0,0|1,0,0]=2 846 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [0,1,0,0,0,0|2,0,0]=3 847 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [0,1,0,0,0,0|2,0,0]=3 848 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,1,0,0,0,0|2,0,0]=3 849 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.4 C=CCCCNCOC 617d1097d149d47807c995b2155094d5 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,1,0,0,0,0|2,0,0]=3 852 B8R0.4 C=CCCCOCC#N 36a4f055e6fa3409a40c78c0ef4cc152 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,1,0,0,0,0|1,0,2]=4 854 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,1,0,0,0,0|0,0,2]=3 855 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,1,0,0,0,0|1,0,0]=2 856 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [0,1,0,0,0,0|2,0,0]=3 859 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,1,0,0,0,0|2,0,0]=3 860 B8R0.4 C=CCCNC/C=C/C 4ccb6d4a5466181c92f31da9f9d13f2f [0,1,0,0,0,0|1,0,2]=4 861 B8R0.4 C=CCCNC/C=C\C 54a5f9c4187e71089766a41283a9f321 [0,1,0,0,0,0|1,0,2]=4 862 B8R0.4 C=CCCNCC#CC 7f8989a42da922606b9fcbe1f24f3f02 [0,1,0,0,0,0|1,0,2]=4 863 B8R0.4 C=CCCNCC=CC d037edea77cb2ac74694bf9895dc0ab4 [0,1,0,0,0,0|1,0,2]=4 864 B8R0.4 C=CCCNCCC#N f719cf7d78ddfa76caccd938bd442473 [0,1,0,0,0,0|2,0,1]=4 865 B8R0.4 C=CCCNCCC=C a8eee7a600a072cdcba3dd1cd63ab5f7 [0,1,0,0,0,0|1,0,2]=4 866 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,1,0,0,0,0|0,0,2]=3 867 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,1,0,0,0,0|1,0,0]=2 868 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [0,1,0,0,0,0|2,0,0]=3 869 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,1,0,0,0,0|2,0,0]=3 871 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [0,1,0,0,0,0|2,0,0]=3 872 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,1,0,0,0,0|2,0,0]=3 873 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [0,1,0,0,0,0|3,0,0]=4 874 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [0,1,0,0,0,0|2,0,0]=3 876 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [0,1,0,0,0,0|1,0,2]=4 877 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [0,1,0,0,0,0|1,0,2]=4 878 B8R0.4 C=CCCOCC#CC 5f35d358b14517068ff00476952373eb [0,1,0,0,0,0|1,0,2]=4 879 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.4 C=CCCOCCC#N 2bfce7ca5ed408d1d77221a58b62d5a6 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.4 C=CCCOCCC=C 9c8c76b760ae4876f6c334767f6424f2 [0,1,0,0,0,0|1,0,2]=4 882 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,1,0,0,0,0|0,0,2]=3 883 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [0,1,0,0,0,0|2,0,0]=3 885 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,1,0,0,0,0|2,0,0]=3 887 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.4 C=CCNCCCC#N 8521448e28d98e46acf61325c1c4270c [0,1,0,0,0,0|2,0,1]=4 890 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,1,0,0,0,0|1,0,0]=2 891 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [0,1,0,0,0,0|2,0,0]=3 892 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [0,1,0,0,0,0|2,0,0]=3 894 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,1,0,0,0,0|2,0,0]=3 895 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [0,1,0,0,0,0|2,0,0]=3 898 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,1,0,0,0,0|1,0,2]=4 899 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,1,0,0,0,0|1,0,2]=4 900 B8R0.4 C=CCOCC#CCC e93830f1b81bde8f6a6e3c15b2a5f650 [0,1,0,0,0,0|1,0,2]=4 901 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [0,1,0,0,0,0|1,0,2]=4 902 B8R0.4 C=CCOCCC#CC 09a234cfc55c2d71abbdd65f3f1bffaf [0,1,0,0,0,0|1,0,2]=4 903 B8R0.4 C=CCOCCCC#N fbac1a9d5bf58d32ba9354cad3593c29 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,1,0,0,0,0|0,0,2]=3 905 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,1,0,0,0,0|1,0,0]=2 906 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [0,1,0,0,0,0|2,0,0]=3 907 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [0,1,0,0,0,0|2,0,0]=3 908 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [0,1,0,0,0,0|2,0,0]=3 909 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,1,0,0,0,0|2,0,0]=3 910 B8R0.4 C=CCOCCNC=O a13a712516002455a972a45148278cc0 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.4 C=CCOCCOC=O cc4c0fa320870fe6d6f693a921558628 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [0,1,0,0,0,0|2,0,0]=3 913 B8R0.4 C=CCOCCOCF 06da768d0787925cdfed87b39ead52b1 [0,1,0,0,0,0|3,0,0]=4 914 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,1,0,0,0,0|2,0,0]=3 915 B8R0.4 C=COCCCNC=O c27d07096dad07383a216346b3809247 [0,1,0,0,0,0|1,0,2]=4 916 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,1,0,0,0,0|2,0,0]=3 917 B8R0.4 C=COCCCNCF e07e5c3e606b8ffc18f594f94beea595 [0,1,0,0,0,0|3,0,0]=4 918 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [0,1,0,0,0,0|3,0,0]=4 919 B8R0.4 C=COCCNCC=O 6f794f610f23ba9b548edd55eed414a5 [0,1,0,0,0,0|1,0,2]=4 920 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,1,0,0,0,0|2,0,0]=3 921 B8R0.4 C=COCCNCCF c4db30a75b11ac3d125d39aaa0bafcf8 [0,1,0,0,0,0|3,0,0]=4 922 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [0,1,0,0,0,0|3,0,0]=4 923 B8R0.4 C=COCCNCCS 99e314c6d18b5e25ff66e5c7d4cb0d17 [0,1,0,0,0,0|3,0,0]=4 924 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,1,0,0,0,0|3,0,0]=4 926 B8R0.4 C=COCCOCC=O 9bd7fdb79e0b225b83e40f269d14de8e [0,1,0,0,0,0|1,0,2]=4 927 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,1,0,0,0,0|2,0,0]=3 928 B8R0.4 C=COCCOCCF 2bb3cc79cd54325a3b4a658a60f2531e [0,1,0,0,0,0|3,0,0]=4 929 B8R0.4 C=COCCOCCS 1dc3bcdc2ff447de0c7aec1863e71212 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.4 C=COCCOCOC 28985632a82f745364d35b6f4482f6c2 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [0,1,0,0,0,0|3,0,0]=4 932 B8R0.4 CC#CCCCOCC 05ec48180aea60ed674503bef15a5f38 [0,1,0,0,0,0|1,0,2]=4 933 B8R0.4 CC#CCCOCC=O 4c04347fb225e9caa89db4068f49522e [0,1,0,0,0,0|0,0,2]=3 934 B8R0.4 CC#CCCOCCC 387cb960b2fced33dd26ab6a4fb5ee8c [0,1,0,0,0,0|1,0,2]=4 935 B8R0.4 CC#CCNCCC=O 695aaa08bc1098a9ad9b2ad16ca9a18d [0,1,0,0,0,0|0,0,2]=3 936 B8R0.4 CC#CCNCCCC 92172ffefbb6c9e292f504492bf5dd32 [0,1,0,0,0,0|1,0,2]=4 937 B8R0.4 CC#CCOCCC=O 12f959adc804eb71938fa75dc36ad2f6 [0,1,0,0,0,0|0,0,2]=3 938 B8R0.4 CC#CCOCCCC 7f94de9642ccae29ed5e6282618d3bd1 [0,1,0,0,0,0|1,0,2]=4 939 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,1,0,0,0,0|0,0,2]=3 942 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [0,1,0,0,0,0|2,0,1]=4 943 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,1,0,0,0,0|0,0,2]=3 945 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [0,1,0,0,0,0|2,0,1]=4 946 B8R0.4 CC=C=CCCOCC 6bee7d8955b0da11354efc3ae62c1cea [0,1,0,0,0,0|1,0,2]=4 947 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,1,0,0,0,0|1,0,1]=3 948 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [0,1,0,0,0,0|2,0,1]=4 949 B8R0.4 CC=CCNCCC=O 2a80025488f2160a303377e7638af432 [0,1,0,0,0,0|0,0,2]=3 950 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,1,0,0,0,0|1,0,1]=3 951 B8R0.4 CC=CCNCCCF b3c3f7a07d4c683b1310ea54eec73a0a [0,1,0,0,0,0|2,0,1]=4 952 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,1,0,0,0,0|2,0,1]=4 953 B8R0.4 CC=CCNCCCS 66bf4e52cf6c2fcd14ea89881803176b [0,1,0,0,0,0|2,0,1]=4 954 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,1,0,0,0,0|2,0,1]=4 955 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [0,1,0,0,0,0|2,0,1]=4 956 B8R0.4 CC=CCNCOCC ec3de25e8441ecebf1cd78a295955e10 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.4 CC=CCOCCC=O 11b79e80ce2ed0bdd15b0d17abab0682 [0,1,0,0,0,0|0,0,2]=3 958 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,1,0,0,0,0|1,0,1]=3 959 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,1,0,0,0,0|2,0,1]=4 962 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,1,0,0,0,0|2,0,1]=4 963 B8R0.4 CC=CCOCOCC c8fa9800ff7a3ee66628e2aa963defd9 [0,1,0,0,0,0|2,0,1]=4 964 B8R0.4 CCC#CCOCC=O 99290f74ddb0278e9538fb31d6282bff [0,1,0,0,0,0|0,0,2]=3 965 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [0,1,0,0,0,0|1,0,1]=3 966 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,1,0,0,0,0|0,0,0]=1 967 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,1,0,0,0,0|1,0,1]=3 968 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,1,0,0,0,0|1,0,1]=3 969 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,1,0,0,0,0|0,0,2]=3 970 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,1,0,0,0,0|1,0,1]=3 971 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,1,0,0,0,0|1,0,1]=3 972 B8R0.4 CCCCCNCC#N 0c9f40f537b6e3cc81cf454315cbd283 [0,1,0,0,0,0|1,0,1]=3 973 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,1,0,0,0,0|0,0,0]=1 974 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [0,1,0,0,0,0|1,0,1]=3 975 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [0,1,0,0,0,0|1,0,1]=3 976 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [0,1,0,0,0,0|1,0,1]=3 977 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [0,1,0,0,0,0|1,0,1]=3 978 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,1,0,0,0,0|0,0,2]=3 979 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [0,1,0,0,0,0|0,1,1]=3 980 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,1,0,0,0,0|2,0,0]=3 981 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,1,0,0,0,0|2,0,0]=3 982 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [0,1,0,0,0,0|1,0,1]=3 983 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,1,0,0,0,0|0,0,0]=1 984 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [0,1,0,0,0,0|1,0,1]=3 985 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [0,1,0,0,0,0|1,0,1]=3 986 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [0,1,0,0,0,0|0,1,1]=3 987 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,1,0,0,0,0|2,0,0]=3 988 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,1,0,0,0,0|2,0,0]=3 989 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [0,1,0,0,0,0|1,0,1]=3 990 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [0,1,0,0,0,0|1,0,1]=3 991 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,1,0,0,0,0|0,0,2]=3 992 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [0,1,0,0,0,0|1,0,1]=3 993 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,1,0,0,0,0|0,0,0]=1 994 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [0,1,0,0,0,0|1,0,1]=3 995 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [0,1,0,0,0,0|1,0,1]=3 996 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [0,1,0,0,0,0|1,0,1]=3 997 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,1,0,0,0,0|0,0,2]=3 998 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [0,1,0,0,0,0|0,1,1]=3 999 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,1,0,0,0,0|2,0,0]=3 1000 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,1,0,0,0,0|2,0,0]=3 1001 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.4 CCCCNCSC#N dfeda221abed111486763f2fd74e4e88 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [0,1,0,0,0,0|1,0,1]=3 1005 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [0,1,0,0,0,0|1,0,1]=3 1006 B8R0.4 CCCCOCC#CI de4efa528daa8422c1ae39c8b0defeb9 [0,1,0,0,0,0|1,0,2]=4 1007 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [0,1,0,0,0,0|1,0,1]=3 1008 B8R0.4 CCCCOCCC#N d96485889b3a21063dcc51f113b3be83 [0,1,0,0,0,0|1,0,1]=3 1009 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,1,0,0,0,0|0,0,0]=1 1010 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [0,1,0,0,0,0|1,0,1]=3 1011 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [0,1,0,0,0,0|1,0,1]=3 1012 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [0,1,0,0,0,0|0,1,1]=3 1013 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,1,0,0,0,0|2,0,0]=3 1014 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,1,0,0,0,0|2,0,0]=3 1015 B8R0.4 CCCCOCNC#N 7d8640c8f1ae7154115955640afd3895 [0,1,0,0,0,0|2,0,1]=4 1016 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [0,1,0,0,0,0|2,0,1]=4 1017 B8R0.4 CCCCOCSC#N 9c7075f55dbeb3f0f43910abd503e0d9 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.4 CCCNCC=CC#N 00d9199c497aa50d1808abb61382e50a [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [0,1,0,0,0,0|1,0,1]=3 1020 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,1,0,0,0,0|0,0,0]=1 1021 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [0,1,0,0,0,0|1,0,1]=3 1022 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [0,1,0,0,0,0|1,0,1]=3 1023 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,1,0,0,0,0|0,0,2]=3 1024 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [0,1,0,0,0,0|0,1,1]=3 1025 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,1,0,0,0,0|2,0,0]=3 1026 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,1,0,0,0,0|2,0,0]=3 1027 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,1,0,0,0,0|2,0,1]=4 1029 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,1,0,0,0,0|0,0,2]=3 1030 B8R0.4 CCCOCC=CC#N 1f16570674240bf3bb4253ebe2ac9ad8 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [0,1,0,0,0,0|1,0,1]=3 1032 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,1,0,0,0,0|0,0,0]=1 1033 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [0,1,0,0,0,0|1,0,1]=3 1034 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [0,1,0,0,0,0|0,1,1]=3 1035 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,1,0,0,0,0|2,0,0]=3 1036 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,1,0,0,0,0|2,0,0]=3 1037 B8R0.4 CCCOCCNC#N 7c9db8b809fab9f35251db16db3e5fe8 [0,1,0,0,0,0|2,0,1]=4 1038 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,1,0,0,0,0|1,0,0]=2 1039 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [0,1,0,0,0,0|2,0,1]=4 1040 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,1,0,0,0,0|1,0,2]=4 1042 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,1,0,0,0,0|1,0,0]=2 1043 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,1,0,0,0,0|2,0,1]=4 1045 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,1,0,0,0,0|2,0,1]=4 1046 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,1,0,0,0,0|2,0,1]=4 1047 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,1,0,0,0,0|2,0,1]=4 1048 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [0,1,0,0,0,0|1,0,1]=3 1049 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [0,1,0,0,0,0|1,0,1]=3 1050 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,1,0,0,0,0|0,0,2]=3 1051 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,1,0,0,0,0|2,0,0]=3 1053 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [0,1,0,0,0,0|1,0,2]=4 1055 B8R0.4 CCNCCOCCS c3388bd6ae086c9b8dbf3a86d3508eb7 [0,1,0,0,0,0|1,1,1]=4 1056 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,1,0,0,0,0|1,0,2]=4 1057 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [0,1,0,0,0,0|1,0,1]=3 1058 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,1,0,0,0,0|0,0,0]=1 1059 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,1,0,0,0,0|2,0,0]=3 1060 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.4 CCOCCCNC#N fd2ccebca410f9845ac7f36c8935d4bb [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [0,1,0,0,0,0|1,0,0]=2 1063 B8R0.4 CCOCCCNCF c6a11378b9c44a817d79d2cae799cfcb [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,1,0,0,0,0|1,0,2]=4 1065 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,1,0,0,0,0|2,0,1]=4 1066 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.4 CCOCCNCC#N 7e04caa8d8487e3b3349d72d3e34b6ab [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,1,0,0,0,0|1,0,0]=2 1070 B8R0.4 CCOCCNCCBr 24d90c4b8e1e41e3d5a0a74399711bae [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.4 CCOCCNCCF 0faef7540a48aa944230e6a301e4788b [0,1,0,0,0,0|2,0,1]=4 1072 B8R0.4 CCOCCNCCI f65e8675fe2e8893dceda2bbe3a9ec63 [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [0,1,0,0,0,0|1,0,2]=4 1074 B8R0.4 CCOCCNCCS ae3728d23412f412d31284f71a900d8b [0,1,0,0,0,0|1,1,1]=4 1075 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [0,1,0,0,0,0|3,0,0]=4 1076 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,1,0,0,0,0|3,0,0]=4 1077 B8R0.4 CCOCCOCC#N ffcdb54cd53f3f62d45c591bf468ded5 [0,1,0,0,0,0|2,0,1]=4 1078 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [0,1,0,0,0,0|1,0,0]=2 1079 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [0,1,0,0,0,0|1,1,1]=4 1081 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [0,1,0,0,0,0|3,0,0]=4 1082 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [0,1,0,0,0,0|3,0,0]=4 1083 B8R0.4 CCOCNCCC#N 7c79367a1b49005ee9bee23801fee7d2 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.4 CCOCNCCCCl 1846db9f15f7a8a85185f6bc4bad5303 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [0,1,0,0,0,0|1,0,2]=4 1086 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.4 CCOCNCCON 072d82705d35da15718af35238f91212 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,1,0,0,0,0|3,0,0]=4 1089 B8R0.4 CCOCOC/C=C/Cl b81243be1fec54ca1946ebc28914fa2e [0,1,0,0,0,0|2,0,1]=4 1090 B8R0.4 CCOCOCC=CCl adddf26512072fc7b4e911d3418df700 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.4 CCOCOCCC#N 59aa23affa9d2d1c5cfb3a42296fb54a [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [0,1,0,0,0,0|1,0,0]=2 1093 B8R0.4 CCOCOCCCF 46d1dba63f6b597718627da78c4b8925 [0,1,0,0,0,0|2,0,1]=4 1094 B8R0.4 CCOCOCCCS 1394d614946e314ee48b201c438f266a [0,1,0,0,0,0|1,1,1]=4 1095 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [0,1,0,0,0,0|3,0,0]=4 1096 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.4 CCSCCCNC#N 408d6cc405f2608ea2ee21cd7eaf0917 [0,1,0,0,0,0|2,0,1]=4 1098 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,1,0,0,0,0|2,0,1]=4 1099 B8R0.4 CCSCCNCC#N 2eec74bf94384535450201d4fdc214fc [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,1,0,0,0,0|1,0,0]=2 1101 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [0,1,0,0,0,0|2,0,1]=4 1102 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [0,1,0,0,0,0|2,0,1]=4 1103 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [0,1,0,0,0,0|2,0,1]=4 1104 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,1,0,0,0,0|1,0,2]=4 1105 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [0,1,0,0,0,0|1,1,1]=4 1106 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [0,1,0,0,0,0|3,0,0]=4 1108 B8R0.4 CCSCCOCC#N 043c2069d87b0e87ef3782e40a36920e [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,1,0,0,0,0|1,0,0]=2 1110 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [0,1,0,0,0,0|2,0,1]=4 1111 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [0,1,0,0,0,0|1,1,1]=4 1112 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,1,0,0,0,0|3,0,0]=4 1113 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [0,1,0,0,0,0|3,0,0]=4 1114 B8R0.4 COCCCCNC#N 70fc41cf1abf143f82bd4ce3f422312e [0,1,0,0,0,0|2,0,1]=4 1115 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,1,0,0,0,0|1,0,0]=2 1116 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,1,0,0,0,0|2,0,1]=4 1117 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,1,0,0,0,0|1,0,2]=4 1118 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,1,0,0,0,0|2,0,1]=4 1119 B8R0.4 COCCCNCC#N b242d64b876a0e1fe93c595a985aa41d [0,1,0,0,0,0|2,0,1]=4 1120 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,1,0,0,0,0|1,0,0]=2 1121 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [0,1,0,0,0,0|1,0,2]=4 1125 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [0,1,0,0,0,0|1,1,1]=4 1126 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [0,1,0,0,0,0|3,0,0]=4 1127 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,1,0,0,0,0|3,0,0]=4 1128 B8R0.4 COCCCOCC#N c35b3ae55d827aab3d6100ded7bddf6e [0,1,0,0,0,0|2,0,1]=4 1129 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,1,0,0,0,0|1,0,0]=2 1130 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [0,1,0,0,0,0|2,0,1]=4 1131 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [0,1,0,0,0,0|1,1,1]=4 1132 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,1,0,0,0,0|3,0,0]=4 1134 B8R0.4 COCCNC/C=C/Cl a1b1d935e54ca0f86ec0bed852c610ac [0,1,0,0,0,0|2,0,1]=4 1135 B8R0.4 COCCNC/C=C\Cl c7a8e03128e72f79d2ed62c3464a8f60 [0,1,0,0,0,0|2,0,1]=4 1136 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [0,1,0,0,0,0|1,0,2]=4 1137 B8R0.4 COCCNCCC#N 43c289c2d252e238557ad5e314db3266 [0,1,0,0,0,0|2,0,1]=4 1138 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,1,0,0,0,0|1,0,0]=2 1139 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [0,1,0,0,0,0|2,0,1]=4 1140 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [0,1,0,0,0,0|1,0,2]=4 1142 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [0,1,0,0,0,0|1,1,1]=4 1143 B8R0.4 COCCNCCOC 7f69cc5c3d87f83720e2be24902d0af0 [0,1,0,0,0,0|3,0,0]=4 1144 B8R0.4 COCCNCCON 89199e813abd4798288aaf694ec385ef [0,1,0,0,0,0|3,0,0]=4 1145 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,1,0,0,0,0|3,0,0]=4 1146 B8R0.4 COCCOC/C=C/Cl d36d34f68994eec49dbe330cbe20d2f5 [0,1,0,0,0,0|2,0,1]=4 1147 B8R0.4 COCCOC/C=C\Cl acf4247a6be926b91c5b4657cbe20d44 [0,1,0,0,0,0|2,0,1]=4 1148 B8R0.4 COCCOCC=CCl e41d815adaeb1ef91516917472352b4f [0,1,0,0,0,0|2,0,1]=4 1149 B8R0.4 COCCOCCC#N a4844b9487eb0ea1ec50ff13a58eb0d7 [0,1,0,0,0,0|2,0,1]=4 1150 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,1,0,0,0,0|1,0,0]=2 1151 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [0,1,0,0,0,0|2,0,1]=4 1152 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [0,1,0,0,0,0|1,1,1]=4 1153 B8R0.4 COCCOCCOC b3f4861d575f20a0b2a5fdeb65250e49 [0,1,0,0,0,0|3,0,0]=4 1154 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,1,0,0,0,0|3,0,0]=4 1155 B8R0.4 COCNCCCC#N a4e0dc89a60cde7048c2048a868d6f57 [0,1,0,0,0,0|2,0,1]=4 1156 B8R0.4 COCNCCCCCl d47b66156d6f192dfb73b80cd35af2c2 [0,1,0,0,0,0|2,0,1]=4 1157 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [0,1,0,0,0,0|1,0,2]=4 1158 B8R0.4 COCNCCCCS a2c1ef24130e97b681aa9ad1afee8274 [0,1,0,0,0,0|1,1,1]=4 1159 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [0,1,0,0,0,0|3,0,0]=4 1160 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [0,1,0,0,0,0|1,0,2]=4 1161 B8R0.4 COCOCCCC#N a7262b670e7dbcbdbd1c28ecab6c39f1 [0,1,0,0,0,0|2,0,1]=4 1162 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [0,1,0,0,0,0|1,0,0]=2 1163 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [0,1,0,0,0,0|2,0,1]=4 1164 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [0,1,0,0,0,0|1,1,1]=4 1165 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [0,1,0,0,0,0|3,0,0]=4 1166 B8R0.4 COCOCCNC=O d2f3dc716da407412ea36aea7489896a [0,1,0,0,0,0|2,0,0]=3 1167 B8R0.4 COCOCCOC=O 773d5ab92f0785e20c35a5ecfa8aef71 [0,1,0,0,0,0|2,0,0]=3 1168 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,1,0,0,0,0|1,0,0]=2 1169 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,1,0,0,0,0|2,0,1]=4 1170 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,1,0,0,0,0|1,0,2]=4 1171 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.4 CSCCCNCC#N 165f98d70570f4cd41fba0a703555e9a [0,1,0,0,0,0|2,0,1]=4 1173 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,1,0,0,0,0|1,0,0]=2 1174 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,1,0,0,0,0|2,0,1]=4 1175 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,1,0,0,0,0|2,0,1]=4 1176 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,1,0,0,0,0|2,0,1]=4 1177 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,1,0,0,0,0|1,0,2]=4 1178 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,1,0,0,0,0|1,1,1]=4 1179 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [0,1,0,0,0,0|3,0,0]=4 1180 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,1,0,0,0,0|1,0,0]=2 1182 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [0,1,0,0,0,0|2,0,1]=4 1183 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [0,1,0,0,0,0|1,1,1]=4 1184 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [0,1,0,0,0,0|3,0,0]=4 1185 B8R0.4 CSCCNC/C=C/Cl 823a1a5b76c19d884fb910b8f19886f1 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.4 CSCCNC/C=C\Cl f80b9aaf0cbd8ef0882811815e458c7f [0,1,0,0,0,0|2,0,1]=4 1187 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,1,0,0,0,0|1,0,2]=4 1188 B8R0.4 CSCCNCCC#N a0acae4cf5595d98d145d1c7ad0cdff1 [0,1,0,0,0,0|2,0,1]=4 1189 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,1,0,0,0,0|1,0,0]=2 1190 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,1,0,0,0,0|1,0,2]=4 1193 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,1,0,0,0,0|1,1,1]=4 1194 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,1,0,0,0,0|3,0,0]=4 1195 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,1,0,0,0,0|3,0,0]=4 1196 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,1,0,0,0,0|2,0,1]=4 1197 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,1,0,0,0,0|2,0,1]=4 1198 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,1,0,0,0,0|2,0,1]=4 1199 B8R0.4 CSCCOCCC#N 8f26ba09caeb7d07b3d9a153be269494 [0,1,0,0,0,0|2,0,1]=4 1200 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,1,0,0,0,0|1,0,0]=2 1201 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,1,0,0,0,0|2,0,1]=4 1202 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,1,0,0,0,0|1,1,1]=4 1203 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [0,1,0,0,0,0|3,0,0]=4 1204 B8R0.4 CSCNCCCC#N cec4adb0696a70e08df2d4885f4d5d2e [0,1,0,0,0,0|2,0,1]=4 1205 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,1,0,0,0,0|1,0,2]=4 1207 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,1,0,0,0,0|1,1,1]=4 1208 B8R0.4 CSCOC/C=C/C=O 8214affd03209cc6c710ec092140e7af [0,1,0,0,0,0|1,0,2]=4 1209 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [0,1,0,0,0,0|2,0,1]=4 1210 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,1,0,0,0,0|1,0,0]=2 1211 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,1,0,0,0,0|2,0,1]=4 1212 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,1,0,0,0,0|1,1,1]=4 1213 B8R0.4 CSCOCCNC=O 06cab0f55d10d488e369b65237bc7019 [0,1,0,0,0,0|2,0,0]=3 1214 B8R0.4 CSCOCCOC=O 6b8870cbaaae325b360a7cd8be5fab08 [0,1,0,0,0,0|2,0,0]=3 1215 B8R0.4 Cl/C=C/CNCCCCl 830bbf881e999b3825d47e52eefbc7b0 [0,1,0,0,0,0|2,0,1]=4 1216 B8R0.4 Cl/C=C\CNCCCCl 110f136b4a7f525cd83ce8b85f61bbdc [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.4 FCCCCNCCBr 1bc9dcab92a1f12330accfd2e72e14d6 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.4 FCCCCNCCF b075693ceddaf7fa11043e144c2816af [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.4 FCCCCNCCI ae7ed6aebf6c4a1c34a09e82d047c2a9 [0,1,0,0,0,0|2,0,1]=4 1220 B8R0.4 FCCCCNCCS 816bb59d91997d2c1bc92b7c0f6e366d [0,1,0,0,0,0|1,1,1]=4 1221 B8R0.4 FCCCCOCCF 17e41dc14ab54f79884ac156b3d1ba74 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.4 FCCCCOCCS e510e523279ca95973ccf48144b1bca7 [0,1,0,0,0,0|1,1,1]=4 1223 B8R0.4 FCCCNCCCCl 61f0c1078fb9a5f585e48809f4300baf [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.4 FCCCOC/C=C/Cl d0967a8f6e4b1804a14872609cb362f2 [0,1,0,0,0,0|2,0,1]=4 1225 B8R0.4 FCCCOC/C=C\Cl b6e07429f21f1651e3a116b491d397df [0,1,0,0,0,0|2,0,1]=4 1226 B8R0.4 FCCCOCC=CCl 69b699909646a8b8bc7e63988bf97afa [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.4 FCCCOCCCF e373f4a6b2c7dc09eddb397d23d9d066 [0,1,0,0,0,0|2,0,1]=4 1228 B8R0.4 FCCCOCCCS a95e3eb0421bef7333721cdcdbd3bc4b [0,1,0,0,0,0|1,1,1]=4 1229 B8R0.4 FCCNCCCCCl 1975b8307faa11448c1bdf8992af87f1 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.4 FCCNCCCCS 8ed200c082c73abc8837abac0f9d569b [0,1,0,0,0,0|1,1,1]=4 1231 B8R0.4 FCCOCCCCS bc8da81f510b1c1aea4df0919b9f364c [0,1,0,0,0,0|1,1,1]=4 1232 B8R0.4 FCNCCCCCCl bd9b55a0e75ce920cf8d77e10ce4c39a [0,1,0,0,0,0|2,0,1]=4 1233 B8R0.4 N#CCCCCNC=O 3cd3800040138849f83fc8af50952e52 [0,1,0,0,0,0|1,0,1]=3 1234 B8R0.4 N#CCCCCNCF 6d94339be60e3e5f16f4a0b369d0ecce [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.4 N#CCCCCNCO b6c56dbe4ec4be1fb74a7aa3f8c9d63c [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.4 N#CCCCCOCF 0b8465fad70127acaab8ad0d6668ac0e [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.4 N#CCCCNCC=O d854d0cd92fb97dc75a49fe1b07d6ea0 [0,1,0,0,0,0|1,0,1]=3 1238 B8R0.4 N#CCCCNCCBr 9646314ae10933380476a0b50b70dd6f [0,1,0,0,0,0|2,0,1]=4 1239 B8R0.4 N#CCCCNCCF f3a3c85a05e2fed60b53151d779a3d57 [0,1,0,0,0,0|2,0,1]=4 1240 B8R0.4 N#CCCCNCCI 6fe32d46c4b09423b360ae2658c34cad [0,1,0,0,0,0|2,0,1]=4 1241 B8R0.4 N#CCCCNCCO 1dbf1dfb1c947fbab873cfb67d68498d [0,1,0,0,0,0|2,0,1]=4 1242 B8R0.4 N#CCCCNCCS f1d4288c7ae95d3ba4fe68122d435f50 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.4 N#CCCCOCC=O 5021bfa282317572b50730c05559236b [0,1,0,0,0,0|1,0,1]=3 1244 B8R0.4 N#CCCCOCCF 3cc6f1965f29bfb8d3003f7aa96dc818 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.4 N#CCCCOCCS 9ca30e3aa7d54c032e688e73d2fa21dc [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.4 N#CCCNCCC=O 9cc2d29cdddc221cdc2d9562c603ab42 [0,1,0,0,0,0|1,0,1]=3 1247 B8R0.4 N#CCCNCCCCl 4d26c93a795b8c4868a347eb7cf2f579 [0,1,0,0,0,0|2,0,1]=4 1248 B8R0.4 N#CCCNCCCF 79875045835f8f079925016b65bd29ee [0,1,0,0,0,0|2,0,1]=4 1249 B8R0.4 N#CCCNCCCO 03e45c8fdb4434cec08ca61a1346d851 [0,1,0,0,0,0|2,0,1]=4 1250 B8R0.4 N#CCCNCCCS fb8f8ebe6b101bd7cbbdebe77a3467e8 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.4 N#CCCOCCC=O 7ec41fdd2ff1ba3ed3a0b9e19f3d2454 [0,1,0,0,0,0|1,0,1]=3 1252 B8R0.4 N#CCCOCCCF 527853a9035941a5ae6ea1d11e87f5b0 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.4 N#CCCOCCCS 109c161ea57fe03e8f1668433541dd56 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.4 N#CCNCCCC=O 10d777fdcdfc9a0ea350c9cb897ad0ef [0,1,0,0,0,0|1,0,1]=3 1255 B8R0.4 N#CCNCCCCCl 64cffd22659d076d8e5ed89a536f0a7b [0,1,0,0,0,0|2,0,1]=4 1256 B8R0.4 N#CCNCCCCF 420862cb0c46a5448983ec0b9086a8df [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.4 N#CCNCCCCO b77909d4a72cb9821a3b38b67388a721 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.4 N#CCNCCCCS 95731551881dc28826199a6fba4c13fc [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.4 N#CCOCCCC=O 5d03e3c86ae9653ce110fc1972a6bc02 [0,1,0,0,0,0|1,0,1]=3 1260 B8R0.4 N#CCOCCCCF fbb8b2b491f4e2209beccd9a28f015a6 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.4 N#CCOCCCCS a9c7636b0cd5c413edef62b885d60b8e [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.4 N#CCOCCNC=O c1eb9361bb3c337ad9286b7ed3e446fb [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.4 N#CCOCCOC=O 9d6003c9923a25956c14b6575f90e53d [0,1,0,0,0,0|2,0,1]=4 1264 B8R0.4 N#CNCCCCC=O cb223ce8e3f3f6933ad650f40cb8dd32 [0,1,0,0,0,0|1,0,1]=3 1265 B8R0.4 N#CNCCCCCF 2b93cdebfbe8351dc174fde05e7a111e [0,1,0,0,0,0|2,0,1]=4 1266 B8R0.4 N#CNCCCCCO d583c9789e660923ecc814b67aac885f [0,1,0,0,0,0|2,0,1]=4 1267 B8R0.4 N#CNCCOCC=O 33954fb8e958682398fdbfaa365b3acc [0,1,0,0,0,0|2,0,1]=4 1268 B8R0.4 N#CSCOCCC=O 44fe2eb1b89b4c107c2a2147003b9ac6 [0,1,0,0,0,0|2,0,1]=4 1269 B8R0.4 NOCCNCCC=O a28664bdd7f1423388d38847fe6fa46f [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.4 NOCCNCCCF 8483cad025896473acdf0dcb905aa8c1 [0,1,0,0,0,0|3,0,0]=4 1271 B8R0.4 NOCCNCCCO 774001fb7b569048dbf3827ed251d91b [0,1,0,0,0,0|3,0,0]=4 1272 B8R0.4 NOCCNCCCS 472fcce172ae40137cb5077898e16ed7 [0,1,0,0,0,0|3,0,0]=4 1273 B8R0.4 O/C=C\CNCCCCl db29be0ef4ab6e7b81b2d735c091af58 [0,1,0,0,0,0|1,0,2]=4 1274 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [0,1,0,0,0,0|1,0,2]=4 1275 B8R0.4 O=C/C=C/COCCF 8b3ecdcae3ced2a7cbe5cc5356a25a84 [0,1,0,0,0,0|1,0,2]=4 1276 B8R0.4 O=C/C=C/COCCS c79988ae7800ad8f8ff2a528a56e3d57 [0,1,0,0,0,0|1,0,2]=4 1277 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [0,1,0,0,0,0|1,0,0]=2 1278 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [0,1,0,0,0,0|1,0,0]=2 1279 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [0,1,0,0,0,0|1,0,0]=2 1280 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [0,1,0,0,0,0|1,0,0]=2 1281 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,1,0,0,0,0|1,0,0]=2 1282 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [0,1,0,0,0,0|1,0,0]=2 1283 B8R0.4 O=CCCCOCC=O a3d7179e2fd1cae25f7f53e552046696 [0,1,0,0,0,0|1,0,1]=3 1284 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [0,1,0,0,0,0|1,0,0]=2 1285 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [0,1,0,0,0,0|1,0,0]=2 1286 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,1,0,0,0,0|1,0,0]=2 1287 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,1,0,0,0,0|1,0,0]=2 1288 B8R0.4 O=CCCOC/C=C/Cl 70c37f441457e670a33016e6a6036aa9 [0,1,0,0,0,0|1,0,2]=4 1289 B8R0.4 O=CCCOC/C=C\Cl 3af673843e38cfced66b426ecc3a2dc0 [0,1,0,0,0,0|1,0,2]=4 1290 B8R0.4 O=CCCOCC#CI f564df6f805b4674340b4c68208fa93d [0,1,0,0,0,0|1,0,2]=4 1291 B8R0.4 O=CCCOCC=CCl b65a39c960d32bf6156b26db6de2c272 [0,1,0,0,0,0|1,0,2]=4 1292 B8R0.4 O=CCCOCCC=O 9ddac43159e400089a6db60f04bc736c [0,1,0,0,0,0|1,0,1]=3 1293 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [0,1,0,0,0,0|1,0,0]=2 1294 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [0,1,0,0,0,0|1,0,0]=2 1295 B8R0.4 O=CCNCC#CCO 199f09255f0b2c9afc23bd32d8751dc4 [0,1,0,0,0,0|1,0,2]=4 1296 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,1,0,0,0,0|1,0,0]=2 1297 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,1,0,0,0,0|1,0,0]=2 1298 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,1,0,0,0,0|1,0,0]=2 1299 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,1,0,0,0,0|1,0,0]=2 1300 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,1,0,0,0,0|1,0,0]=2 1301 B8R0.4 O=CCOCCNC=O 4e523542aa2070455adeed404aef53bd [0,1,0,0,0,0|2,0,1]=4 1302 B8R0.4 O=CCOCCOC=O f05f0d0e8934b517680eca7957de44e9 [0,1,0,0,0,0|2,0,1]=4 1303 B8R0.4 O=CCOCCOCF bfda5f83f4865dfb775a71a596865b83 [0,1,0,0,0,0|2,0,0]=3 1304 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [0,1,0,0,0,0|1,0,0]=2 1305 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,1,0,0,0,0|1,0,0]=2 1306 B8R0.4 O=CNCCOCCF c8a5c0eacdcd1d316a424c4005d58ef9 [0,1,0,0,0,0|2,0,0]=3 1307 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,1,0,0,0,0|2,0,0]=3 1308 B8R0.4 O=CNCCOCCS fd3b3090b4eefe81cd9992494316f59f [0,1,0,0,0,0|2,0,0]=3 1309 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,1,0,0,0,0|2,0,0]=3 1310 B8R0.4 O=COCCOCCF 3ac9afe53341268fdfe07221ba11eb92 [0,1,0,0,0,0|2,0,0]=3 1311 B8R0.4 O=COCCOCCS e57473f45057007c5c8548c766fce976 [0,1,0,0,0,0|2,0,0]=3 1312 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,1,0,0,0,0|1,0,2]=4 1313 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,1,0,0,0,0|1,0,2]=4 1314 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [0,1,0,0,0,0|1,0,2]=4 1315 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [0,1,0,0,0,0|1,0,2]=4 1316 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [0,1,0,0,0,0|1,0,2]=4 1317 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [0,1,0,0,0,0|1,0,2]=4 1318 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [0,1,0,0,0,0|1,0,2]=4 1319 B8R0.4 OCCCNC/C=C/Cl a17a1b53f58468b152bb7bf06941b0c6 [0,1,0,0,0,0|2,0,1]=4 1320 B8R0.4 OCCCNC/C=C\Cl 523d4e539a4b22a363005ae021d9b8b4 [0,1,0,0,0,0|2,0,1]=4 1321 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [0,1,0,0,0,0|1,0,2]=4 1322 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [0,1,0,0,0,0|1,0,2]=4 1323 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [0,1,0,0,0,0|1,0,2]=4 1324 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [0,1,0,0,0,0|1,0,2]=4 1325 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [0,1,0,0,0,0|1,0,2]=4 1326 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [0,1,0,0,0,0|1,0,2]=4 1327 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [0,1,0,0,0,0|1,0,2]=4 1328 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,1,0,0,0,0|1,0,2]=4 1329 B8R0.4 SCCCCNCCS bbc20384e5a691b033ac2653063e3ebf [0,1,0,0,0,0|1,1,1]=4 1330 B8R0.4 SCCCCOCCS 99ee8ef0ab9592fe877786d3b31651be [0,1,0,0,0,0|1,1,1]=4 1331 B8R0.4 SCCCNCCCCl 6fdfe443a1562b7aec0e4a4555e2e602 [0,1,0,0,0,0|1,1,1]=4 1332 B8R0.4 SCCCOC/C=C/Cl 1b26a01fb74c2d88bc9190b137e4e1c5 [0,1,0,0,0,0|2,0,1]=4 1333 B8R0.4 SCCCOC/C=C\Cl f58f711743b2331f21ad0ee68b68ed0e [0,1,0,0,0,0|2,0,1]=4 1334 B8R0.4 SCCCOCC=CCl aa3ff5774512124ae9b118d76b9ffcc9 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.4 SCCCOCCCS b365a2c2ba6de0483f721999d9724a99 [0,1,0,0,0,0|1,1,1]=4 1336 B8R0.4 SCCNCCCCCl 74b3cd616c7f88cf9fb2283763fb5c22 [0,1,0,0,0,0|1,1,1]=4 1337 B8R0.6 C#CC(C)NCCC=O b9c5b6ba8cfb4703ce184973d7d00c34 [0,1,0,0,0,0|1,0,2]=4 1338 B8R0.6 C#CC(C)NCCCC 99dcac99512f233bb0273e0e2363fd2b [0,1,0,0,0,0|2,0,1]=4 1339 B8R0.6 C#CC(C)OCCC=O b4f26efb44146120dac4c2f499518b75 [0,1,0,0,0,0|1,0,2]=4 1340 B8R0.6 C#CC(C)OCCCC 3207897689b41a23a71912b34d0efa66 [0,1,0,0,0,0|2,0,1]=4 1341 B8R0.6 C#CCCCN(C)CC d07e2f10df165bd21e746a327d29556f [0,1,0,0,0,0|2,0,1]=4 1342 B8R0.6 C#CCCNC(C)C=O ea754782fa55ced8189bbcc7eaa92b40 [0,1,0,0,0,0|1,0,2]=4 1343 B8R0.6 C#CCCNC(C)CC 20dbc89ebb1d4b44652853687cb2fa8a [0,1,0,0,0,0|2,0,1]=4 1344 B8R0.6 C#CCCN[C@@H](C)CC 4a7010201ccb7b47856e7a8857c46bdd [0,1,0,0,0,0|2,0,1]=4 1345 B8R0.6 C#CCCN[C@H](C)C=O eb1b7b635f9c185e8e4fe6309fe8ab77 [0,1,0,0,0,0|1,0,2]=4 1346 B8R0.6 C#CCCN[C@H](C)CC 71b14d97b24dcddba8a32db992a64beb [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.6 C#CCCOC(C)C=O 6d0394650a52cdfe9e130a150fee6f84 [0,1,0,0,0,0|1,0,2]=4 1348 B8R0.6 C#CCCOC(C)CC 8ddb2dba02e462fe364e25beff6c25f3 [0,1,0,0,0,0|2,0,1]=4 1349 B8R0.6 C#CCCO[C@@H](C)CC 25d0971b7cad09435ba2dc016863f2b8 [0,1,0,0,0,0|2,0,1]=4 1350 B8R0.6 C#CCCO[C@H](C)C=O ba4c2f460be01a31770f9ee439a60bc0 [0,1,0,0,0,0|1,0,2]=4 1351 B8R0.6 C#CCCO[C@H](C)CC 8302df280c095a2bf372ea12e667649a [0,1,0,0,0,0|2,0,1]=4 1352 B8R0.6 C#CCNCC(C)CC 66f9a26a1fa940e1e7954b635126f99f [0,1,0,0,0,0|2,0,1]=4 1353 B8R0.6 C#CCNCC(O)CC 68f70068a6ca890420d84e93203c1bb9 [0,1,0,0,0,0|2,0,1]=4 1354 B8R0.6 C#CCNC[C@@H](C)CC 231903fbdec89d13be793810163b01df [0,1,0,0,0,0|2,0,1]=4 1355 B8R0.6 C#CCNC[C@H](C)CC 03f9c9a204dce084699fa0c093d37da8 [0,1,0,0,0,0|2,0,1]=4 1356 B8R0.6 C#CCNC[C@H](O)CC 60b3fc51fd2347c9eede92d6af0b9e71 [0,1,0,0,0,0|2,0,1]=4 1357 B8R0.6 C#CCOCC(C)CC dac3b2d5a3360d648bbc31fcabb053df [0,1,0,0,0,0|2,0,1]=4 1358 B8R0.6 C#CCOC[C@@H](C)CC bf52f579dfc2bdace27584faec908367 [0,1,0,0,0,0|2,0,1]=4 1359 B8R0.6 C#CCOC[C@H](C)CC c6939a3d945a70cc9f8d6a28d32fc60a [0,1,0,0,0,0|2,0,1]=4 1360 B8R0.6 C#C[C@@H](C)NCCC=O b812c862625c4e6478a179cd48b74fa0 [0,1,0,0,0,0|1,0,2]=4 1361 B8R0.6 C#C[C@@H](C)NCCCC 64caffac88bcc4d045741618f9fc4de7 [0,1,0,0,0,0|2,0,1]=4 1362 B8R0.6 C#C[C@@H](C)OCCC=O 1b5d14ca063cbe7e9022b4c05ac12aee [0,1,0,0,0,0|1,0,2]=4 1363 B8R0.6 C#C[C@@H](C)OCCCC b92639cee7f5ea1462b33c3a3cf2f7d2 [0,1,0,0,0,0|2,0,1]=4 1364 B8R0.6 C#C[C@H](C)NCCC=O 60f4e36e697fd4ebabd9745a90d09b82 [0,1,0,0,0,0|1,0,2]=4 1365 B8R0.6 C#C[C@H](C)NCCCC 3a6bb340c675c1220e4a07e2457d62cf [0,1,0,0,0,0|2,0,1]=4 1366 B8R0.6 C#C[C@H](C)OCCC=O 69494d0b919c0bc0fbbc271ade219f3c [0,1,0,0,0,0|1,0,2]=4 1367 B8R0.6 C#C[C@H](C)OCCCC a86793577755948db77c64a70ade7d8c [0,1,0,0,0,0|2,0,1]=4 1368 B8R0.6 C/C=C/CNC(C)CC 2f535abc28ee7f3cab8c7972351408f4 [0,1,0,0,0,0|2,0,1]=4 1369 B8R0.6 C/C=C/CN[C@@H](C)CC b58e2f858cb751b98ede7a901acea099 [0,1,0,0,0,0|2,0,1]=4 1370 B8R0.6 C/C=C/CN[C@H](C)CC 7387329309fa520abe5aa0a87b2bf959 [0,1,0,0,0,0|2,0,1]=4 1371 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [0,1,0,0,0,0|1,0,2]=4 1372 B8R0.6 C/C=C/COC(C)CC 2c3616d32d17e7eb4e788e5738c8dc04 [0,1,0,0,0,0|2,0,1]=4 1373 B8R0.6 C/C=C/CO[C@@H](C)CC 522e3c2ba2b761839a7a2dca4352293b [0,1,0,0,0,0|2,0,1]=4 1374 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [0,1,0,0,0,0|1,0,2]=4 1375 B8R0.6 C/C=C/CO[C@H](C)CC 6e608186b48520ff54a704c9b9c244cd [0,1,0,0,0,0|2,0,1]=4 1376 B8R0.6 C/C=C\CNC(C)CC 69ee21beee787232cb51df62e6b214aa [0,1,0,0,0,0|2,0,1]=4 1377 B8R0.6 C/C=C\CN[C@@H](C)CC fc15fdf835e9d3828f552033e84b13ba [0,1,0,0,0,0|2,0,1]=4 1378 B8R0.6 C/C=C\CN[C@H](C)CC bee9b00c3898d54386b9382944bdd17a [0,1,0,0,0,0|2,0,1]=4 1379 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [0,1,0,0,0,0|1,0,2]=4 1380 B8R0.6 C/C=C\COC(C)CC b9929d282696082d2a43b3b1157a9118 [0,1,0,0,0,0|2,0,1]=4 1381 B8R0.6 C/C=C\CO[C@@H](C)CC c2f4b87d51ab2c28a552b7c9d146a3ff [0,1,0,0,0,0|2,0,1]=4 1382 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [0,1,0,0,0,0|1,0,2]=4 1383 B8R0.6 C/C=C\CO[C@H](C)CC 3671e83702b5414e0370b18b7de3dfff [0,1,0,0,0,0|2,0,1]=4 1384 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,1,0,0,0,0|1,0,1]=3 1385 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,1,0,0,0,0|2,0,1]=4 1386 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,1,0,0,0,0|2,0,1]=4 1387 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,1,0,0,0,0|2,0,1]=4 1388 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,1,0,0,0,0|2,0,1]=4 1389 B8R0.6 C=C(C=O)OCOCC a43dcefe7b49a952ac6bc79bdf8dad34 [0,1,0,0,0,0|2,0,1]=4 1390 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,1,0,0,0,0|1,0,2]=4 1392 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,1,0,0,0,0|2,0,0]=3 1393 B8R0.6 C=CC(C)COCCF 52bd07118bb081edc55a2a545a753f00 [0,1,0,0,0,0|3,0,0]=4 1394 B8R0.6 C=CC(C)COCCS 54add0fb8811a240b8fe42ef348cdf83 [0,1,0,0,0,0|3,0,0]=4 1395 B8R0.6 C=CC(C)COCOC 36b22a073b85f5a3908a00fc993d396f [0,1,0,0,0,0|3,0,0]=4 1396 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,1,0,0,0,0|3,0,0]=4 1397 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,1,0,0,0,0|1,0,2]=4 1398 B8R0.6 C=CC(C)NCCCC d3c1bcd103c726a70c57dba401d7cda5 [0,1,0,0,0,0|2,0,0]=3 1399 B8R0.6 C=CC(C)NCCCCl 2c0425a355b93be0cccbe28b5737630a [0,1,0,0,0,0|3,0,0]=4 1400 B8R0.6 C=CC(C)NCCCF 81a11e1ce99b4e8f25c40cbbc2e8fee0 [0,1,0,0,0,0|3,0,0]=4 1401 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,1,0,0,0,0|3,0,0]=4 1402 B8R0.6 C=CC(C)NCCCS 17b570e4bd0573fa5e2cb191fe00ce05 [0,1,0,0,0,0|3,0,0]=4 1403 B8R0.6 C=CC(C)NCCOC a710c3e2053d147ad52da620b12b4dba [0,1,0,0,0,0|3,0,0]=4 1404 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,1,0,0,0,0|3,0,0]=4 1405 B8R0.6 C=CC(C)NCOCC 82446d644bc5bc51b133501fed7cbaa9 [0,1,0,0,0,0|3,0,0]=4 1406 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,1,0,0,0,0|1,0,2]=4 1407 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,1,0,0,0,0|2,0,0]=3 1408 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,1,0,0,0,0|3,0,0]=4 1409 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,1,0,0,0,0|3,0,0]=4 1410 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,1,0,0,0,0|3,0,0]=4 1411 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,1,0,0,0,0|3,0,0]=4 1412 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,1,0,0,0,0|3,0,0]=4 1413 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,1,0,0,0,0|1,0,2]=4 1414 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,1,0,0,0,0|2,0,0]=3 1415 B8R0.6 C=CC(O)CNCCF 0d4993498a1055847724e70ade581451 [0,1,0,0,0,0|3,0,0]=4 1416 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,1,0,0,0,0|3,0,0]=4 1417 B8R0.6 C=CC(O)CNCCS 4e0c558cb75acbabb0690b53be293642 [0,1,0,0,0,0|3,0,0]=4 1418 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,1,0,0,0,0|3,0,0]=4 1419 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,1,0,0,0,0|3,0,0]=4 1420 B8R0.6 C=CCCCN(C)C=O d5e163454d96a5cac685f2316e8ed7d5 [0,1,0,0,0,0|1,0,2]=4 1421 B8R0.6 C=CCCCN(C)CC 1bec5e770716bf844a25a95ad899a7c4 [0,1,0,0,0,0|2,0,0]=3 1422 B8R0.6 C=CCCCN(C)CF e6af2ce76076b26c6389083a0013f3c7 [0,1,0,0,0,0|3,0,0]=4 1423 B8R0.6 C=CCCCN(C)CO 60383a05b98647585562faefac549271 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,0,0,0,0|2,0,1]=4 1425 B8R0.6 C=CCCNC(C)C=O 7dacb78bf89ffaf9ebc02f1a6b584ebc [0,1,0,0,0,0|1,0,2]=4 1426 B8R0.6 C=CCCNC(C)CC f885cbdaaa18710cec8775d0fc08c804 [0,1,0,0,0,0|2,0,0]=3 1427 B8R0.6 C=CCCNC(C)CO 4c19367b66c3870cb1b9b059820dfae4 [0,1,0,0,0,0|3,0,0]=4 1428 B8R0.6 C=CCCN[C@@H](C)CC 999e8371ea0e07c999dbfb955513b106 [0,1,0,0,0,0|2,0,0]=3 1429 B8R0.6 C=CCCN[C@@H](C)CO bd75d5ba5552ec3b4468e50c48f577dc [0,1,0,0,0,0|3,0,0]=4 1430 B8R0.6 C=CCCN[C@H](C)C=O dfd9cd749dbab5a4cf001a3d7fe8d25c [0,1,0,0,0,0|1,0,2]=4 1431 B8R0.6 C=CCCN[C@H](C)CC 07aa1c8af6a68bcbd328411f213e0d5f [0,1,0,0,0,0|2,0,0]=3 1432 B8R0.6 C=CCCN[C@H](C)CO dcb6aa26546bb9950f8526419d01344b [0,1,0,0,0,0|3,0,0]=4 1433 B8R0.6 C=CCCOC(C)C=O d89bf43d83f4e504ad136803d884ddc7 [0,1,0,0,0,0|1,0,2]=4 1434 B8R0.6 C=CCCOC(C)CC b8bb0fe92dd0d23b9879350a5841a976 [0,1,0,0,0,0|2,0,0]=3 1435 B8R0.6 C=CCCOC(C)CF 0e487925b38dfe7a8f30a61d464d191c [0,1,0,0,0,0|3,0,0]=4 1436 B8R0.6 C=CCCOC(C)CS b8f1fc30072621f664eef040a9b38cb9 [0,1,0,0,0,0|3,0,0]=4 1437 B8R0.6 C=CCCO[C@@H](C)CC 29dfa30bd98e5dbf9563047158a37aea [0,1,0,0,0,0|2,0,0]=3 1438 B8R0.6 C=CCCO[C@H](C)C=O 37010ca691c058fe96201b55449e1382 [0,1,0,0,0,0|1,0,2]=4 1439 B8R0.6 C=CCCO[C@H](C)CC 5cad605e23fae06ae0f8741c6fbdd602 [0,1,0,0,0,0|2,0,0]=3 1440 B8R0.6 C=CCCO[C@H](C)CS 50de7baf66874e07c349214eaf94a3db [0,1,0,0,0,0|3,0,0]=4 1441 B8R0.6 C=CCNCC(Br)CBr dcd3e214a90f33c2f590e52e035a037e [0,1,0,0,0,0|3,0,0]=4 1442 B8R0.6 C=CCNCC(C)CC 494ce94604ac38dadc94644e86d6a10d [0,1,0,0,0,0|2,0,0]=3 1443 B8R0.6 C=CCNCC(C)CO 0349751dd72119d1ec86991336485e44 [0,1,0,0,0,0|3,0,0]=4 1444 B8R0.6 C=CCNCC(F)CO 3273093c24bd04a1388c4be3f055a1bd [0,1,0,0,0,0|3,0,0]=4 1445 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,1,0,0,0,0|2,0,0]=3 1446 B8R0.6 C=CCNCC(O)CO 12d9c7ed6f0bf5fa1ee3b1fd1316b921 [0,1,0,0,0,0|3,0,0]=4 1447 B8R0.6 C=CCNC[C@@H](C)CC 10564aa737f9984860d65735a5b1d4f7 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.6 C=CCNC[C@@H](C)OC b7562211711e7dd3c0c532f66c1ea725 [0,1,0,0,0,0|3,0,0]=4 1449 B8R0.6 C=CCNC[C@@H](F)CO dafaeca7b3733d0b2d5cbf1a0965d5be [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.6 C=CCNC[C@@H](O)CO d201d03248462fb29c2769fa551c9908 [0,1,0,0,0,0|3,0,0]=4 1451 B8R0.6 C=CCNC[C@H](C)CO 83df800fa1fe19eaa9c32210c081717f [0,1,0,0,0,0|3,0,0]=4 1452 B8R0.6 C=CCNC[C@H](C)OC f2ade53da8dc35e9501abf5457bf836b [0,1,0,0,0,0|3,0,0]=4 1453 B8R0.6 C=CCNC[C@H](F)CO ca8ee44d16ad2f6912e3c6ad8291cb79 [0,1,0,0,0,0|3,0,0]=4 1454 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,1,0,0,0,0|2,0,0]=3 1455 B8R0.6 C=CCNC[C@H](O)CO 16898f67ff229b2336da87db45ab0890 [0,1,0,0,0,0|3,0,0]=4 1456 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,0,0,0,0|2,0,1]=4 1457 B8R0.6 C=CCOCC(Br)CBr 0f3f053a4f1a86de501a97dd6bbe9b67 [0,1,0,0,0,0|3,0,0]=4 1458 B8R0.6 C=CCOCC(C)CC 80dd01c33214aee04f213ff4b3d8b154 [0,1,0,0,0,0|2,0,0]=3 1459 B8R0.6 C=CCOCC(C)OC 5e8d34ad1209ea0db8a9ab36af63874c [0,1,0,0,0,0|3,0,0]=4 1460 B8R0.6 C=CCOCC(Cl)CCl 5f52bf7b497bef46e1f04825d0106bea [0,1,0,0,0,0|3,0,0]=4 1461 B8R0.6 C=CCOCC(S)CS 6cadf0e0c67e078d0018f38326027c6d [0,1,0,0,0,0|3,0,0]=4 1462 B8R0.6 C=CCOC[C@@H](C)CC 33cb2ec72dfd50721c249724597568dd [0,1,0,0,0,0|2,0,0]=3 1463 B8R0.6 C=CCOC[C@@H](C)OC 56af6ef64f40f572849a587c987a9fb6 [0,1,0,0,0,0|3,0,0]=4 1464 B8R0.6 C=CCOC[C@H](C)CC ea37bcd01cf18ce9e17869382a85446c [0,1,0,0,0,0|2,0,0]=3 1465 B8R0.6 C=CCOC[C@H](C)OC 19fb47c1068b524cb2a6d3cb74d2934d [0,1,0,0,0,0|3,0,0]=4 1466 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,1,0,0,0,0|1,0,2]=4 1467 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,1,0,0,0,0|2,0,0]=3 1468 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,1,0,0,0,0|3,0,0]=4 1469 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,1,0,0,0,0|3,0,0]=4 1470 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,1,0,0,0,0|3,0,0]=4 1471 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,1,0,0,0,0|3,0,0]=4 1472 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,1,0,0,0,0|3,0,0]=4 1473 B8R0.6 CC#CCNC(C)C=O 4b8b4c123178bf58e665b4251ca19049 [0,1,0,0,0,0|1,0,2]=4 1474 B8R0.6 CC#CCN[C@H](C)C=O de225de6233dc8f61e5204f720b0b039 [0,1,0,0,0,0|1,0,2]=4 1475 B8R0.6 CC#CCOC(C)C=O a1880e6a10a5d94c6d9be3fdb203a2c9 [0,1,0,0,0,0|1,0,2]=4 1476 B8R0.6 CC#CCO[C@H](C)C=O 287509814ddaffb6e15fc3724c4670ac [0,1,0,0,0,0|1,0,2]=4 1477 B8R0.6 CC(C#N)CNCC=O 07dd87324302dc639b7e40a71a6d2b89 [0,1,0,0,0,0|2,0,1]=4 1478 B8R0.6 CC(C#N)COCC=O bdc1cb68eac2034044d1af91bed9168f [0,1,0,0,0,0|2,0,1]=4 1479 B8R0.6 CC(C#N)NCCC=O 17f5eafdd4ffc04728989125a0e2f64a [0,1,0,0,0,0|2,0,1]=4 1480 B8R0.6 CC(C#N)OCCC=O 99235743f38a0ed59261f8b08a8ebe83 [0,1,0,0,0,0|2,0,1]=4 1481 B8R0.6 CC(C=O)NCCC#N 62c8c25c0f52310b2f0562a74f5a7c89 [0,1,0,0,0,0|2,0,1]=4 1482 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,1,0,0,0,0|2,0,0]=3 1483 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,1,0,0,0,0|2,0,0]=3 1484 B8R0.6 CC(C=O)NCCON 74e37fbd94732254048517739053fcdc [0,1,0,0,0,0|3,0,0]=4 1485 B8R0.6 CC(C=O)OCCC#N 7afeaf47c6151f74950b75e9bb192784 [0,1,0,0,0,0|2,0,1]=4 1486 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,1,0,0,0,0|2,0,1]=4 1487 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,1,0,0,0,0|2,0,0]=3 1488 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,1,0,0,0,0|2,0,0]=3 1489 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,1,0,0,0,0|2,0,0]=3 1490 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,1,0,0,0,0|2,0,0]=3 1492 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,1,0,0,0,0|2,0,0]=3 1493 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,1,0,0,0,0|2,0,0]=3 1494 B8R0.6 CC=CCNC(C)C=O 91835a46141d208cf4a38dbda5acfa3b [0,1,0,0,0,0|1,0,2]=4 1495 B8R0.6 CC=CCNC(C)CC f9cefac49ef4449ba822519139889b26 [0,1,0,0,0,0|2,0,1]=4 1496 B8R0.6 CC=CCN[C@H](C)C=O 3de25320dcc5b60b7ab82c87a4cf69d7 [0,1,0,0,0,0|1,0,2]=4 1497 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [0,1,0,0,0,0|1,0,2]=4 1498 B8R0.6 CC=CCOC(C)CC 462ecd62704a4aa668833628374dcdbd [0,1,0,0,0,0|2,0,1]=4 1499 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [0,1,0,0,0,0|1,0,2]=4 1500 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,0,0,0,0|1,0,1]=3 1501 B8R0.6 CCC(C)CCNC#N e4f84fd8285c7aace071caec13b44745 [0,1,0,0,0,0|2,0,1]=4 1502 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,1,0,0,0,0|1,0,0]=2 1503 B8R0.6 CCC(C)CCNCF f015aff687b1ff0add996f7f0d7f62f2 [0,1,0,0,0,0|2,0,1]=4 1504 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,1,0,0,0,0|1,0,2]=4 1505 B8R0.6 CCC(C)CCOCF ad49fb93dbc6e5096875ca8b33e35d2e [0,1,0,0,0,0|2,0,1]=4 1506 B8R0.6 CCC(C)CNCC#N 38477641e3aa4ed4ba2f6ba4c60eba47 [0,1,0,0,0,0|2,0,1]=4 1507 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,1,0,0,0,0|1,0,0]=2 1508 B8R0.6 CCC(C)CNCCBr f2c1acb694015090e62b525b7fcc63c1 [0,1,0,0,0,0|2,0,1]=4 1509 B8R0.6 CCC(C)CNCCF 2769db0f6fb5ed4083dc6fe23af3689f [0,1,0,0,0,0|2,0,1]=4 1510 B8R0.6 CCC(C)CNCCI 3d06760a9b56f4c07583e19b707193ff [0,1,0,0,0,0|2,0,1]=4 1511 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,1,0,0,0,0|1,0,2]=4 1512 B8R0.6 CCC(C)CNCCS 5c126473eb834dd2e643033d1f0f9ac2 [0,1,0,0,0,0|1,1,1]=4 1513 B8R0.6 CCC(C)CNCOC 13c5f2ed1d7a15909177c430e4e9ec33 [0,1,0,0,0,0|3,0,0]=4 1514 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,1,0,0,0,0|3,0,0]=4 1515 B8R0.6 CCC(C)COCC#N 62a406b374af06ea9f303b3b18120593 [0,1,0,0,0,0|2,0,1]=4 1516 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,1,0,0,0,0|1,0,0]=2 1517 B8R0.6 CCC(C)COCCF 234df3c7bd373782f0b57a992ab93926 [0,1,0,0,0,0|2,0,1]=4 1518 B8R0.6 CCC(C)COCCS 16a35ab92232b38df6f41f25daef241c [0,1,0,0,0,0|1,1,1]=4 1519 B8R0.6 CCC(C)COCOC 6dd199421c9efff2fe4c863bf565046e [0,1,0,0,0,0|3,0,0]=4 1520 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,1,0,0,0,0|3,0,0]=4 1521 B8R0.6 CCC(C)NC/C=C/Cl 467cbcd280b08dfba642a757638807ad [0,1,0,0,0,0|2,0,1]=4 1522 B8R0.6 CCC(C)NC/C=C\Cl eee0606f9adf032697943eb923b2835e [0,1,0,0,0,0|2,0,1]=4 1523 B8R0.6 CCC(C)NC/C=C\O 818543bea0e96b4a0313764957053b41 [0,1,0,0,0,0|1,0,2]=4 1524 B8R0.6 CCC(C)NCCC#N 9e04618e0f9590bb3f73f12735b7a355 [0,1,0,0,0,0|2,0,1]=4 1525 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,1,0,0,0,0|1,0,0]=2 1526 B8R0.6 CCC(C)NCCCCl 3c30fde6c5168ee70cde18df169dc1ce [0,1,0,0,0,0|2,0,1]=4 1527 B8R0.6 CCC(C)NCCCF 67c9382accd96be051c233c106bd6818 [0,1,0,0,0,0|2,0,1]=4 1528 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,1,0,0,0,0|1,0,2]=4 1529 B8R0.6 CCC(C)NCCCS 305cc88eaf0bb6e07e1ce30e503bc156 [0,1,0,0,0,0|1,1,1]=4 1530 B8R0.6 CCC(C)NCCOC c25488696c4e2089a7e730cde3ffad4c [0,1,0,0,0,0|3,0,0]=4 1531 B8R0.6 CCC(C)NCCON 6395e58d539f3295d755078dcbfef5b5 [0,1,0,0,0,0|3,0,0]=4 1532 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,1,0,0,0,0|3,0,0]=4 1533 B8R0.6 CCC(C)OC/C=C/Cl 7289fd99765e7cf161b51f997847bf49 [0,1,0,0,0,0|2,0,1]=4 1534 B8R0.6 CCC(C)OC/C=C\Cl 782b1df74804c15e4908554a5b09dc5f [0,1,0,0,0,0|2,0,1]=4 1535 B8R0.6 CCC(C)OCC=CCl ef19df0abf0cca1b7fd475828cd20aba [0,1,0,0,0,0|2,0,1]=4 1536 B8R0.6 CCC(C)OCCC#N 342676039e3021d65d1b18ff63ffe481 [0,1,0,0,0,0|2,0,1]=4 1537 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,1,0,0,0,0|1,0,0]=2 1538 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,1,0,0,0,0|2,0,1]=4 1539 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,1,0,0,0,0|1,1,1]=4 1540 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,1,0,0,0,0|3,0,0]=4 1541 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,1,0,0,0,0|3,0,0]=4 1542 B8R0.6 CCC(O)CNCC#N 3be64d674cc12b1441f3e05d8ba2392f [0,1,0,0,0,0|2,0,1]=4 1543 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,1,0,0,0,0|1,0,0]=2 1544 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,1,0,0,0,0|2,0,1]=4 1545 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,1,0,0,0,0|2,0,1]=4 1546 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,1,0,0,0,0|2,0,1]=4 1547 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,1,0,0,0,0|1,0,2]=4 1548 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,1,0,0,0,0|1,1,1]=4 1549 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,1,0,0,0,0|3,0,0]=4 1550 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,1,0,0,0,0|3,0,0]=4 1551 B8R0.6 CCC(S)CCOCF fd9f97763905898c36d44cc90e7d0d91 [0,1,0,0,0,0|2,0,1]=4 1552 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,1,0,0,0,0|1,0,0]=2 1553 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,0,0,0,0|2,0,1]=4 1554 B8R0.6 CCCCCN(C)CF 8024733ae25e28b26397cb54377f95de [0,1,0,0,0,0|2,0,1]=4 1555 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,1,0,0,0,0|1,0,2]=4 1556 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,0,0,0,0|1,0,1]=3 1557 B8R0.6 CCCCNC(C)C#N d38915e3da40d7b69edc69cc021327b0 [0,1,0,0,0,0|2,0,1]=4 1558 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,1,0,0,0,0|1,0,0]=2 1559 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,1,0,0,0,0|2,0,1]=4 1560 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,1,0,0,0,0|1,0,2]=4 1561 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,1,0,0,0,0|2,0,1]=4 1562 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,1,0,0,0,0|1,0,2]=4 1563 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,1,0,0,0,0|1,0,0]=2 1564 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,1,0,0,0,0|2,0,1]=4 1565 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,1,0,0,0,0|1,0,2]=4 1566 B8R0.6 CCCCOC(C)C#N 7da6308c22e0ffbd26076a61b450c9cf [0,1,0,0,0,0|2,0,1]=4 1567 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,1,0,0,0,0|1,0,0]=2 1568 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,1,0,0,0,0|2,0,1]=4 1569 B8R0.6 CCCCOC(C)CF a8ece2c1a6b1bbd17ac97ecec5d3d5f9 [0,1,0,0,0,0|2,0,1]=4 1570 B8R0.6 CCCCOC(C)CS ae59cde7367219dda072a597238ebf81 [0,1,0,0,0,0|1,1,1]=4 1571 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,1,0,0,0,0|2,0,1]=4 1572 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,1,0,0,0,0|1,0,0]=2 1573 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,1,0,0,0,0|2,0,1]=4 1574 B8R0.6 CCCCO[C@H](C)CS 4909bf9ebce22969b4138fac2a65fc31 [0,1,0,0,0,0|1,1,1]=4 1575 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,1,0,0,0,0|2,0,1]=4 1576 B8R0.6 CCCNCC(Br)CBr d2a5ecd1bc3d122593813288dad63c81 [0,1,0,0,0,0|2,0,1]=4 1577 B8R0.6 CCCNCC(C)C#N 7a8f25cbe4eafecbfad37f34e9676995 [0,1,0,0,0,0|2,0,1]=4 1578 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,1,0,0,0,0|2,0,1]=4 1579 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,1,0,0,0,0|1,0,2]=4 1580 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,1,0,0,0,0|3,0,0]=4 1581 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,1,0,0,0,0|1,0,2]=4 1582 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,0,0,0,0|2,0,1]=4 1583 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,1,0,0,0,0|2,0,1]=4 1584 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,1,0,0,0,0|1,0,2]=4 1585 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,1,0,0,0,0|2,0,1]=4 1586 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,1,0,0,0,0|1,0,2]=4 1587 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,1,0,0,0,0|3,0,0]=4 1588 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,1,0,0,0,0|1,0,2]=4 1589 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,1,0,0,0,0|1,0,2]=4 1590 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,1,0,0,0,0|2,0,1]=4 1591 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,1,0,0,0,0|1,0,2]=4 1592 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,1,0,0,0,0|3,0,0]=4 1593 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,1,0,0,0,0|1,0,2]=4 1594 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,0,0,0,0|2,0,1]=4 1595 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,1,0,0,0,0|1,0,2]=4 1596 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,1,0,0,0,0|2,0,1]=4 1597 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,1,0,0,0,0|2,0,1]=4 1598 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,1,0,0,0,0|2,0,1]=4 1599 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [0,1,0,0,0,0|2,0,1]=4 1600 B8R0.6 CCCOCC(C)C#N 24a74f83c604589c98222d73335a0f81 [0,1,0,0,0,0|2,0,1]=4 1601 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,1,0,0,0,0|2,0,1]=4 1602 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,1,0,0,0,0|3,0,0]=4 1603 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [0,1,0,0,0,0|2,0,1]=4 1604 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,1,0,0,0,0|1,0,2]=4 1605 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [0,1,0,0,0,0|1,1,1]=4 1606 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,1,0,0,0,0|2,0,1]=4 1607 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,1,0,0,0,0|3,0,0]=4 1608 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,1,0,0,0,0|1,0,2]=4 1609 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,1,0,0,0,0|2,0,1]=4 1610 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,1,0,0,0,0|3,0,0]=4 1611 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,1,0,0,0,0|1,0,2]=4 1612 B8R0.6 CCN(C)CCCC#N eb2e9a0dc19f85240e99c0db3e4231dd [0,1,0,0,0,0|2,0,1]=4 1613 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,1,0,0,0,0|1,0,0]=2 1614 B8R0.6 CCN(C)CCCCF 9cba963fe29e0e981772352c51d7f232 [0,1,0,0,0,0|2,0,1]=4 1615 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,1,0,0,0,0|1,0,2]=4 1616 B8R0.6 CCN(C)CCCOC 9daef8ee27bac836bae693fac9c07495 [0,1,0,0,0,0|3,0,0]=4 1617 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,1,0,0,0,0|3,0,0]=4 1618 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,1,0,0,0,0|2,0,1]=4 1619 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,1,0,0,0,0|1,0,2]=4 1620 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,1,0,0,0,0|1,0,2]=4 1621 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,1,0,0,0,0|1,0,2]=4 1622 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,1,0,0,0,0|2,0,1]=4 1623 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,1,0,0,0,0|3,0,0]=4 1624 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,1,0,0,0,0|2,0,1]=4 1625 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,1,0,0,0,0|2,0,0]=3 1626 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,1,0,0,0,0|2,0,1]=4 1627 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,1,0,0,0,0|2,0,0]=3 1628 B8R0.6 CC[C@@H](C)CNCC#N 46f3ee838ba03ddfe9442800288d553c [0,1,0,0,0,0|2,0,1]=4 1629 B8R0.6 CC[C@@H](C)CNCCBr 97d367e508fd39dc3ddcec44a8683cec [0,1,0,0,0,0|2,0,1]=4 1630 B8R0.6 CC[C@@H](C)CNCCF 371b9b1c5529111d353d598e0b5660cb [0,1,0,0,0,0|2,0,1]=4 1631 B8R0.6 CC[C@@H](C)CNCCI 32d54f8cdc3ec06753f18e3bb05477b7 [0,1,0,0,0,0|2,0,1]=4 1632 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,1,0,0,0,0|1,0,2]=4 1633 B8R0.6 CC[C@@H](C)CNCCS e87b39ea520a94f7427ff9e1f94a277c [0,1,0,0,0,0|1,1,1]=4 1634 B8R0.6 CC[C@@H](C)COCC#N 8fa996cd8d8551a2ddb878b9691ec871 [0,1,0,0,0,0|2,0,1]=4 1635 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,1,0,0,0,0|1,0,0]=2 1636 B8R0.6 CC[C@@H](C)COCCF e20d781119f6b53ffb68ed6751ccaab2 [0,1,0,0,0,0|2,0,1]=4 1637 B8R0.6 CC[C@@H](C)COCCS 234dff13be40377c551514da0380e41f [0,1,0,0,0,0|1,1,1]=4 1638 B8R0.6 CC[C@@H](C)COCOC a052b0577e11ad1f5f6decbf2a414fe8 [0,1,0,0,0,0|3,0,0]=4 1639 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,1,0,0,0,0|3,0,0]=4 1640 B8R0.6 CC[C@@H](C)NC/C=C/Cl 451353c431eb7a93abed8e53bc2b123c [0,1,0,0,0,0|2,0,1]=4 1641 B8R0.6 CC[C@@H](C)NC/C=C\Cl b620ea9b070f06613fbae731992fe0d2 [0,1,0,0,0,0|2,0,1]=4 1642 B8R0.6 CC[C@@H](C)NC/C=C\O b3c906b4f962e4324ee0f2eb29040690 [0,1,0,0,0,0|1,0,2]=4 1643 B8R0.6 CC[C@@H](C)NCCC#N 47246973971343e74c2c367b75371f8e [0,1,0,0,0,0|2,0,1]=4 1644 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,1,0,0,0,0|1,0,0]=2 1645 B8R0.6 CC[C@@H](C)NCCCF 5505371a202bfecabfd929226673cd4e [0,1,0,0,0,0|2,0,1]=4 1646 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,1,0,0,0,0|1,0,2]=4 1647 B8R0.6 CC[C@@H](C)NCCCS d018b350a4f6c69980561293a6f52a5a [0,1,0,0,0,0|1,1,1]=4 1648 B8R0.6 CC[C@@H](C)NCCOC 9bc6267f1aec0efa010d02896e34635b [0,1,0,0,0,0|3,0,0]=4 1649 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,1,0,0,0,0|3,0,0]=4 1650 B8R0.6 CC[C@@H](C)OC/C=C/Cl c34364513c04e8915ef6c131e4f06a8c [0,1,0,0,0,0|2,0,1]=4 1651 B8R0.6 CC[C@@H](C)OC/C=C\Cl 99964f3d7dd6d863219720dba22e4d9f [0,1,0,0,0,0|2,0,1]=4 1652 B8R0.6 CC[C@@H](C)OCCC#N ce18d924e2de41f74db5a2beab4800ac [0,1,0,0,0,0|2,0,1]=4 1653 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,1,0,0,0,0|1,0,0]=2 1654 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,1,0,0,0,0|2,0,1]=4 1655 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,1,0,0,0,0|1,1,1]=4 1656 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,1,0,0,0,0|3,0,0]=4 1657 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,1,0,0,0,0|3,0,0]=4 1658 B8R0.6 CC[C@@H](O)CNCC#N 8dbda76dacee43b9f56b443d5bf51e10 [0,1,0,0,0,0|2,0,1]=4 1659 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,1,0,0,0,0|1,0,0]=2 1660 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,1,0,0,0,0|2,0,1]=4 1661 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,1,0,0,0,0|1,0,2]=4 1662 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,1,0,0,0,0|1,1,1]=4 1663 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,1,0,0,0,0|3,0,0]=4 1664 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,1,0,0,0,0|3,0,0]=4 1665 B8R0.6 CC[C@H](C)CCOCF 4b30d5d94bbbb4fdbcf22cabd2f557ea [0,1,0,0,0,0|2,0,1]=4 1666 B8R0.6 CC[C@H](C)CNCC#N fc06135c10662caeee07519834e6b41d [0,1,0,0,0,0|2,0,1]=4 1667 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,1,0,0,0,0|1,0,0]=2 1668 B8R0.6 CC[C@H](C)CNCCBr 2e85ca9af829ee3543f995580cf76d82 [0,1,0,0,0,0|2,0,1]=4 1669 B8R0.6 CC[C@H](C)CNCCF fd752c7a6560f165a21d0e39ed53ebde [0,1,0,0,0,0|2,0,1]=4 1670 B8R0.6 CC[C@H](C)CNCCI 26f262acafd0f04ce8a19af0b38e24de [0,1,0,0,0,0|2,0,1]=4 1671 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,1,0,0,0,0|1,0,2]=4 1672 B8R0.6 CC[C@H](C)CNCCS 8becd07c6bd7a230f4fc120a932c3696 [0,1,0,0,0,0|1,1,1]=4 1673 B8R0.6 CC[C@H](C)CNCOC 8d958d2c5c153e54d7b348639f09f01f [0,1,0,0,0,0|3,0,0]=4 1674 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,1,0,0,0,0|3,0,0]=4 1675 B8R0.6 CC[C@H](C)COCC#N ad9268c909205ad489dd435f4b2e0e66 [0,1,0,0,0,0|2,0,1]=4 1676 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,1,0,0,0,0|1,0,0]=2 1677 B8R0.6 CC[C@H](C)COCCF a3b7b17681d654662c51b9200aeead3e [0,1,0,0,0,0|2,0,1]=4 1678 B8R0.6 CC[C@H](C)COCCS 6e8b2990a3d1b06c800b4386782cc666 [0,1,0,0,0,0|1,1,1]=4 1679 B8R0.6 CC[C@H](C)COCOC c9deb84f6c5c3c42953d4555c52f366b [0,1,0,0,0,0|3,0,0]=4 1680 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,1,0,0,0,0|3,0,0]=4 1681 B8R0.6 CC[C@H](C)NC/C=C/Cl 492df1ac73249588a03c66c2511ceb2e [0,1,0,0,0,0|2,0,1]=4 1682 B8R0.6 CC[C@H](C)NC/C=C\Cl 22dce979b1ae8d3c91df23f8a60d217a [0,1,0,0,0,0|2,0,1]=4 1683 B8R0.6 CC[C@H](C)NC/C=C\O fba44c9072095af513e500375848defd [0,1,0,0,0,0|1,0,2]=4 1684 B8R0.6 CC[C@H](C)NCCC#N 21098fb0575477acb44aaf5e0970ee50 [0,1,0,0,0,0|2,0,1]=4 1685 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,1,0,0,0,0|1,0,0]=2 1686 B8R0.6 CC[C@H](C)NCCCF d08d092d569ce6563951c753af4fb97c [0,1,0,0,0,0|2,0,1]=4 1687 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,1,0,0,0,0|1,0,2]=4 1688 B8R0.6 CC[C@H](C)NCCCS cdf23c371c67ce79e2901b4af058d9c9 [0,1,0,0,0,0|1,1,1]=4 1689 B8R0.6 CC[C@H](C)NCCOC 38a5269e53cebe3176cb690b2be4e7fa [0,1,0,0,0,0|3,0,0]=4 1690 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,1,0,0,0,0|3,0,0]=4 1691 B8R0.6 CC[C@H](C)OC/C=C/Cl 7bdd53a35156cd2801ddedbeb48a16cf [0,1,0,0,0,0|2,0,1]=4 1692 B8R0.6 CC[C@H](C)OC/C=C\Cl 54ad37e3a2338523611e2faf3cc73677 [0,1,0,0,0,0|2,0,1]=4 1693 B8R0.6 CC[C@H](C)OCCC#N 237a0d01f5b81cfb24d481cddb0f22b8 [0,1,0,0,0,0|2,0,1]=4 1694 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,1,0,0,0,0|1,0,0]=2 1695 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,1,0,0,0,0|2,0,1]=4 1696 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,1,0,0,0,0|1,1,1]=4 1697 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,1,0,0,0,0|3,0,0]=4 1698 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,1,0,0,0,0|3,0,0]=4 1699 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,1,0,0,0,0|2,0,0]=3 1700 B8R0.6 CN(C=O)CCOCF b61b4c84711e2254b5e31ade4625ff15 [0,1,0,0,0,0|3,0,0]=4 1701 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,1,0,0,0,0|2,0,1]=4 1702 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,1,0,0,0,0|2,0,1]=4 1703 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,1,0,0,0,0|2,0,1]=4 1704 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,1,0,0,0,0|2,0,1]=4 1705 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,1,0,0,0,0|2,0,1]=4 1706 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,1,0,0,0,0|2,0,1]=4 1707 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,1,0,0,0,0|2,0,0]=3 1708 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,1,0,0,0,0|2,0,0]=3 1709 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,1,0,0,0,0|2,0,1]=4 1710 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,1,0,0,0,0|2,0,0]=3 1711 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,1,0,0,0,0|2,0,0]=3 1712 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,1,0,0,0,0|2,0,0]=3 1713 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,1,0,0,0,0|2,0,0]=3 1714 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,1,0,0,0,0|2,0,0]=3 1715 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,1,0,0,0,0|2,0,0]=3 1716 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,1,0,0,0,0|2,0,0]=3 1717 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,1,0,0,0,0|2,0,0]=3 1718 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,1,0,0,0,0|2,0,1]=4 1719 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,1,0,0,0,0|2,0,0]=3 1720 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,1,0,0,0,0|2,0,0]=3 1721 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,1,0,0,0,0|2,0,0]=3 1722 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,1,0,0,0,0|2,0,0]=3 1723 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,1,0,0,0,0|2,0,0]=3 1724 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,1,0,0,0,0|2,0,0]=3 1725 B8R0.6 C[C@H](C=O)NCCC#N efcafa617aed5d65bd0b18abc94bad42 [0,1,0,0,0,0|2,0,1]=4 1726 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,1,0,0,0,0|2,0,0]=3 1727 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,1,0,0,0,0|2,0,0]=3 1728 B8R0.6 C[C@H](C=O)NCCON 5f36436e9f2e76846c3319840ed43a3d [0,1,0,0,0,0|3,0,0]=4 1729 B8R0.6 C[C@H](C=O)OCCC#N 4acfd2696f9ab4623946b701bc5066cf [0,1,0,0,0,0|2,0,1]=4 1730 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,1,0,0,0,0|2,0,1]=4 1731 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,1,0,0,0,0|2,0,0]=3 1732 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,1,0,0,0,0|2,0,0]=3 1733 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,1,0,0,0,0|2,0,0]=3 1734 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,1,0,0,0,0|2,0,0]=3 1735 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,1,0,0,0,0|2,0,0]=3 1736 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,1,0,0,0,0|2,0,1]=4 1737 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,1,0,0,0,0|2,0,1]=4 1738 B8R0.6 O=CCNCC(Br)CBr f8b4628b874c00ea67f5b1ea31294bcb [0,1,0,0,0,0|2,0,0]=3 1739 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,1,0,0,0,0|2,0,0]=3 1740 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,1,0,0,0,0|2,0,0]=3 1741 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,1,0,0,0,0|2,0,0]=3 1742 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,1,0,0,0,0|2,0,0]=3 1743 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,1,0,0,0,0|2,0,0]=3 1744 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,1,0,0,0,0|2,0,0]=3 1745 B8R0.6 O=CCOCC(Br)CBr aae332e0e58a483c7a378575c78ea8c6 [0,1,0,0,0,0|2,0,0]=3 1746 B8R0.6 O=CCOCC(Cl)CCl 6c5deed46908ce8b01b3167bdc1c4832 [0,1,0,0,0,0|2,0,0]=3 1747 B8R0.6 O=CCOCC(S)CS bd94fe95bf66dc42f5eb22995ef59c1b [0,1,0,0,0,0|2,0,0]=3 1748 B8R0.6 O=CNCCC(O)CO e7dc97883d31a0c7dd013812e3944a74 [0,1,0,0,0,0|2,0,0]=3 1749 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [0,1,0,0,0,0|1,0,2]=4 1750 B8R0.7 C#CCCCNC(C)C a191f2dd6f3014e4785c981a31a68729 [0,1,0,0,0,0|2,0,1]=4 1751 B8R0.7 C#CCCCOC(C)C c2df5f3e15633977f96051966f9f9505 [0,1,0,0,0,0|2,0,1]=4 1752 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,1,0,0,0,0|1,0,2]=4 1753 B8R0.7 C#CCCNCC(=O)N 1f3003baf97abd2324b063149dfdad50 [0,1,0,0,0,0|1,0,2]=4 1754 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,1,0,0,0,0|1,0,2]=4 1755 B8R0.7 C#CCCNCC(C)C e10dab758f95491c9440691e96a3d863 [0,1,0,0,0,0|2,0,1]=4 1756 B8R0.7 C#CCCNCC(C)O 450df4b466845ab16a8023c6c8a1abb8 [0,1,0,0,0,0|2,0,1]=4 1757 B8R0.7 C#CCCNC[C@@H](C)O 6a7d217dec6552161d289050b209ddaa [0,1,0,0,0,0|2,0,1]=4 1758 B8R0.7 C#CCCNC[C@H](C)O 062bcd7e93df504ee56c8e19e7153d09 [0,1,0,0,0,0|2,0,1]=4 1759 B8R0.7 C#CCCOCC(=O)C d40f062f5d5b5dd437467b58ad4478ba [0,1,0,0,0,0|1,0,2]=4 1760 B8R0.7 C#CCCOCC(=O)N 16832b99fecfae9a9433e7f121c1b73e [0,1,0,0,0,0|1,0,2]=4 1761 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,1,0,0,0,0|1,0,2]=4 1762 B8R0.7 C#CCCOCC(C)C aefb6ad98935f0a63d573e49cded9a56 [0,1,0,0,0,0|2,0,1]=4 1763 B8R0.7 C#CCCOCC(C)F f28424332fd6c2ee6158a5ffe89f8734 [0,1,0,0,0,0|2,0,1]=4 1764 B8R0.7 C#CCCOCC(C)S 0e064f915d3f1725eeec09a3981f204b [0,1,0,0,0,0|2,0,1]=4 1765 B8R0.7 C#CCCOC[C@@H](C)F 9fcc4530e4ffde82f82cda7a405e4084 [0,1,0,0,0,0|2,0,1]=4 1766 B8R0.7 C#CCCOC[C@H](C)F 1d24cc8204449c650798b65df65924d9 [0,1,0,0,0,0|2,0,1]=4 1767 B8R0.7 C#CCNCCC(=O)C c404d0087dc2dc93430e30073cbb1872 [0,1,0,0,0,0|1,0,2]=4 1768 B8R0.7 C#CCNCCC(=O)N 93be733b56fc479909304b7711180789 [0,1,0,0,0,0|1,0,2]=4 1769 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,1,0,0,0,0|1,0,2]=4 1770 B8R0.7 C#CCNCCC(C)C 4a1ee3a8656fbdaeac93a06a821c9369 [0,1,0,0,0,0|2,0,1]=4 1771 B8R0.7 C#CCNCCC(C)O 82c98b254385bb322da160907d65ecd9 [0,1,0,0,0,0|2,0,1]=4 1772 B8R0.7 C#CCNCC[C@@H](C)O 0fa02f77629f17beb07e4bd6eb60821d [0,1,0,0,0,0|2,0,1]=4 1773 B8R0.7 C#CCNCC[C@H](C)O a3b8ab56f85174b419bff3ab36fb6802 [0,1,0,0,0,0|2,0,1]=4 1774 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,1,0,0,0,0|1,0,2]=4 1775 B8R0.7 C#CCOCCC(=O)N 238988e372393a30996f8238ceea5a3a [0,1,0,0,0,0|1,0,2]=4 1776 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,1,0,0,0,0|1,0,2]=4 1777 B8R0.7 C#CCOCCC(C)C d72bb51363c8e7ca5e67fd11d4f99fea [0,1,0,0,0,0|2,0,1]=4 1778 B8R0.7 C/C(=C/COCC=O)/Cl 1242a36c899156e7f2fba7315ce08cf0 [0,1,0,0,0,0|1,0,2]=4 1779 B8R0.7 C/C(=C/COCC=O)/I aaa33a52c17768e2cade6c56d9089cb8 [0,1,0,0,0,0|1,0,2]=4 1780 B8R0.7 C/C=C/CCOC(C)C 57859a6e8a4f2b42a112ca30c6eb34ea [0,1,0,0,0,0|2,0,1]=4 1781 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,1,0,0,0,0|1,0,2]=4 1782 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,1,0,0,0,0|1,0,2]=4 1783 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,1,0,0,0,0|1,0,2]=4 1784 B8R0.7 C/C=C/CNCC(C)C e5a937907a4337201bf33aee5a6b3888 [0,1,0,0,0,0|2,0,1]=4 1785 B8R0.7 C/C=C/CNCC(C)O 706b7ee4e3f651c4ef21af8a02fff587 [0,1,0,0,0,0|2,0,1]=4 1786 B8R0.7 C/C=C/CNC[C@@H](C)O 9cc88730a7b6c5f02a9d2f5e6f67c4e4 [0,1,0,0,0,0|2,0,1]=4 1787 B8R0.7 C/C=C/CNC[C@H](C)O 1acf4707ce0333163ff659136cf2b6da [0,1,0,0,0,0|2,0,1]=4 1788 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,1,0,0,0,0|1,0,2]=4 1789 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,1,0,0,0,0|1,0,2]=4 1790 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,1,0,0,0,0|1,0,2]=4 1791 B8R0.7 C/C=C/COCC(C)C 8ec13cf40c3b90303310083630c7b896 [0,1,0,0,0,0|2,0,1]=4 1792 B8R0.7 C/C=C/COCC(C)F ebe92918946b5362eeffb3e55898afbb [0,1,0,0,0,0|2,0,1]=4 1793 B8R0.7 C/C=C/COCC(C)S 8e8973113b1397a535a954dfe3c320de [0,1,0,0,0,0|2,0,1]=4 1794 B8R0.7 C/C=C/COC[C@@H](C)F 79a0f1cbef4e38fddf1fc3dca07a8333 [0,1,0,0,0,0|2,0,1]=4 1795 B8R0.7 C/C=C/COC[C@H](C)F e710ce911a4ca8c541ec93593a832605 [0,1,0,0,0,0|2,0,1]=4 1796 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,1,0,0,0,0|1,0,2]=4 1797 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,1,0,0,0,0|1,0,2]=4 1798 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,1,0,0,0,0|1,0,2]=4 1799 B8R0.7 C/C=C\CNCC(C)C 1a299450c5c350cd20a8a498c26f414a [0,1,0,0,0,0|2,0,1]=4 1800 B8R0.7 C/C=C\CNCC(C)O 4872f4c901dc8cc56679a0801ea5fa82 [0,1,0,0,0,0|2,0,1]=4 1801 B8R0.7 C/C=C\CNC[C@@H](C)O 8a926f9e7738c9540aa2a6d2f41bc645 [0,1,0,0,0,0|2,0,1]=4 1802 B8R0.7 C/C=C\CNC[C@H](C)O adad592ebec3ffb5ca56dd53da3fb565 [0,1,0,0,0,0|2,0,1]=4 1803 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,1,0,0,0,0|1,0,2]=4 1804 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,1,0,0,0,0|1,0,2]=4 1805 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,1,0,0,0,0|1,0,2]=4 1806 B8R0.7 C/C=C\COCC(C)C 42b0314d12dbacaee541d6c376041c6f [0,1,0,0,0,0|2,0,1]=4 1807 B8R0.7 C/C=C\COCC(C)F c7143011edad08c16487474eaba53422 [0,1,0,0,0,0|2,0,1]=4 1808 B8R0.7 C/C=C\COCC(C)S 4bf0411906ee0512ed3486d6dac5f474 [0,1,0,0,0,0|2,0,1]=4 1809 B8R0.7 C/C=C\COC[C@@H](C)F a434b2463c646a37ca10d8f24a529042 [0,1,0,0,0,0|2,0,1]=4 1810 B8R0.7 C/C=C\COC[C@H](C)F 34a95152c8e535d9bdf375ae3116b80c [0,1,0,0,0,0|2,0,1]=4 1811 B8R0.7 C=C(Br)CCOCC=O 0f5f503d09bd4779632a1a822b523b4c [0,1,0,0,0,0|1,0,2]=4 1812 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,1,0,0,0,0|2,0,0]=3 1813 B8R0.7 C=C(Br)CCOCCF 9c9798a7b43efb90b886758df6a738de [0,1,0,0,0,0|3,0,0]=4 1814 B8R0.7 C=C(Br)CCOCCS 48b875edf0fb524e953a85b596cbf8dd [0,1,0,0,0,0|3,0,0]=4 1815 B8R0.7 C=C(Br)CCOCOC c1c84f126d3fd57a0b0e1be8314eb30f [0,1,0,0,0,0|3,0,0]=4 1816 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [0,1,0,0,0,0|3,0,0]=4 1817 B8R0.7 C=C(Br)CNCCC=O 9262aa07588fa4d32114b968c5756cf6 [0,1,0,0,0,0|1,0,2]=4 1818 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,1,0,0,0,0|2,0,0]=3 1819 B8R0.7 C=C(Br)CNCCCCl 5d2b43e8986d544e367241db5e9268ac [0,1,0,0,0,0|3,0,0]=4 1820 B8R0.7 C=C(Br)CNCCCF 51ab428a414cc4c9404ed8a51a5a7737 [0,1,0,0,0,0|3,0,0]=4 1821 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [0,1,0,0,0,0|3,0,0]=4 1822 B8R0.7 C=C(Br)CNCCCS b0b9d90e638f2808750705a6c9ac139a [0,1,0,0,0,0|3,0,0]=4 1823 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [0,1,0,0,0,0|3,0,0]=4 1824 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,1,0,0,0,0|3,0,0]=4 1825 B8R0.7 C=C(Br)CNCOCC dba29b361cca4942dba533d01e62fe36 [0,1,0,0,0,0|3,0,0]=4 1826 B8R0.7 C=C(Br)COCCC=O d9d24c8d595c5e5e0654bf555539a612 [0,1,0,0,0,0|1,0,2]=4 1827 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,1,0,0,0,0|2,0,0]=3 1828 B8R0.7 C=C(Br)COCCCF 485710d025a81dcbbf1b6346554cf146 [0,1,0,0,0,0|3,0,0]=4 1829 B8R0.7 C=C(Br)COCCCS fe1c867f52f3b335087c547702385f29 [0,1,0,0,0,0|3,0,0]=4 1830 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [0,1,0,0,0,0|3,0,0]=4 1831 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,1,0,0,0,0|3,0,0]=4 1832 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,1,0,0,0,0|2,0,0]=3 1833 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,1,0,0,0,0|3,0,0]=4 1834 B8R0.7 C=C(C)CCNCC=O 4c3ba9587f8532929abf485727b781bd [0,1,0,0,0,0|1,0,1]=3 1835 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,1,0,0,0,0|3,0,0]=4 1836 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,1,0,0,0,0|2,0,0]=3 1837 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,1,0,0,0,0|3,0,0]=4 1838 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,1,0,0,0,0|3,0,0]=4 1839 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,1,0,0,0,0|3,0,0]=4 1840 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,1,0,0,0,0|3,0,0]=4 1841 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,1,0,0,0,0|3,0,0]=4 1842 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,1,0,0,0,0|3,0,0]=4 1843 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,1,0,0,0,0|1,0,1]=3 1844 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,1,0,0,0,0|2,0,0]=3 1845 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,1,0,0,0,0|3,0,0]=4 1846 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,1,0,0,0,0|3,0,0]=4 1847 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,1,0,0,0,0|3,0,0]=4 1848 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,1,0,0,0,0|3,0,0]=4 1849 B8R0.7 C=C(C)CNCCC=O 311dfeb8205d8e8cbdd8287713a6c3e0 [0,1,0,0,0,0|1,0,1]=3 1850 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,1,0,0,0,0|2,0,0]=3 1851 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,1,0,0,0,0|3,0,0]=4 1852 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,1,0,0,0,0|3,0,0]=4 1853 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,1,0,0,0,0|3,0,0]=4 1854 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,1,0,0,0,0|3,0,0]=4 1855 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,1,0,0,0,0|3,0,0]=4 1856 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,1,0,0,0,0|3,0,0]=4 1857 B8R0.7 C=C(C)CNCOCC 5232fb2ea1283f6a12b07e7e1960cc36 [0,1,0,0,0,0|3,0,0]=4 1858 B8R0.7 C=C(C)COCCC=O 42d5e99ccfec788cebe16494c41e8b9c [0,1,0,0,0,0|1,0,1]=3 1859 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,1,0,0,0,0|2,0,0]=3 1860 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,1,0,0,0,0|3,0,0]=4 1861 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,1,0,0,0,0|3,0,0]=4 1862 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,1,0,0,0,0|3,0,0]=4 1863 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,1,0,0,0,0|3,0,0]=4 1864 B8R0.7 C=C(C)COCOCC 386ffc84facf9cdf98d22feeb307d2d3 [0,1,0,0,0,0|3,0,0]=4 1865 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,1,0,0,0,0|2,0,0]=3 1866 B8R0.7 C=C(Cl)CNCCCCl ebbec9e24712b23eb0ae6771f8e7becf [0,1,0,0,0,0|3,0,0]=4 1867 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [0,1,0,0,0,0|3,0,0]=4 1868 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [0,1,0,0,0,0|3,0,0]=4 1869 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,1,0,0,0,0|3,0,0]=4 1870 B8R0.7 C=C(Cl)COCCC=O 1fe9cb45f38dd4024fe57237ae6896f9 [0,1,0,0,0,0|1,0,2]=4 1871 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,1,0,0,0,0|2,0,0]=3 1872 B8R0.7 C=C(Cl)COCCCF df0ebcd5a5ec043e11fa10511cec886d [0,1,0,0,0,0|3,0,0]=4 1873 B8R0.7 C=C(Cl)COCCCS 7160b6ab4d2287624a72daa9ac553ab9 [0,1,0,0,0,0|3,0,0]=4 1874 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [0,1,0,0,0,0|3,0,0]=4 1875 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,1,0,0,0,0|3,0,0]=4 1876 B8R0.7 C=C(Cl)COCOCC c9236da3ba1778fd40c20ee616eee0fa [0,1,0,0,0,0|3,0,0]=4 1877 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,1,0,0,0,0|2,0,0]=3 1878 B8R0.7 C=C(F)CNCCCCl 8d59dce5957364b9e5381ffb12e4c05a [0,1,0,0,0,0|3,0,0]=4 1879 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [0,1,0,0,0,0|3,0,0]=4 1880 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [0,1,0,0,0,0|3,0,0]=4 1881 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,1,0,0,0,0|3,0,0]=4 1882 B8R0.7 C=C(F)COCCC=O d8b3681d9e8faaf6bd415b04a36ea0f3 [0,1,0,0,0,0|1,0,2]=4 1883 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,1,0,0,0,0|2,0,0]=3 1884 B8R0.7 C=C(F)COCCCF ed746bbd677565603e8ef1e29192c14e [0,1,0,0,0,0|3,0,0]=4 1885 B8R0.7 C=C(F)COCCCS 4276a5a15f1500b7d0fe0d36afab567a [0,1,0,0,0,0|3,0,0]=4 1886 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [0,1,0,0,0,0|3,0,0]=4 1887 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,1,0,0,0,0|3,0,0]=4 1888 B8R0.7 C=C(I)COCCC=O b803366a875001f7e4c6f6f6d751e360 [0,1,0,0,0,0|1,0,2]=4 1889 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,1,0,0,0,0|2,0,0]=3 1890 B8R0.7 C=C(I)COCCCF 98b86b232aa85ec97d29d3e3c401b763 [0,1,0,0,0,0|3,0,0]=4 1891 B8R0.7 C=C(I)COCCCS b6d1e77e6cd735be750b12b13ee107c1 [0,1,0,0,0,0|3,0,0]=4 1892 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [0,1,0,0,0,0|3,0,0]=4 1893 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,1,0,0,0,0|3,0,0]=4 1894 B8R0.7 C=C(I)COCOCC b942b2ec49271bb9aab579dd8a171d5c [0,1,0,0,0,0|3,0,0]=4 1895 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,1,0,0,0,0|1,0,2]=4 1896 B8R0.7 C=CCCCNC(C)C 894cae9fc935a78c0b067be4248ffc85 [0,1,0,0,0,0|2,0,0]=3 1897 B8R0.7 C=CCCCOC(C)C 44f540e8992dd6ebc85c497ca5bd3da7 [0,1,0,0,0,0|2,0,0]=3 1898 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [0,1,0,0,0,0|2,0,1]=4 1899 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,1,0,0,0,0|1,0,2]=4 1900 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,1,0,0,0,0|1,0,2]=4 1901 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,1,0,0,0,0|1,0,2]=4 1902 B8R0.7 C=CCCNCC(C)C 1982685da06926e0cc923f857859a0da [0,1,0,0,0,0|2,0,0]=3 1903 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [0,1,0,0,0,0|2,0,0]=3 1904 B8R0.7 C=CCCNCC(F)F 2fe0f00eb635a3bb191031cd7d95e772 [0,1,0,0,0,0|3,0,0]=4 1905 B8R0.7 C=CCCNCN(C)C eceb5ac379e24d8757be166f331f1f73 [0,1,0,0,0,0|3,0,0]=4 1906 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [0,1,0,0,0,0|2,0,0]=3 1907 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [0,1,0,0,0,0|2,0,0]=3 1908 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [0,1,0,0,0,0|2,0,1]=4 1909 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,1,0,0,0,0|1,0,2]=4 1910 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [0,1,0,0,0,0|1,0,2]=4 1911 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,1,0,0,0,0|1,0,2]=4 1912 B8R0.7 C=CCCOCC(C)C f8f56569331f47ab6b85f26977d0706c [0,1,0,0,0,0|2,0,0]=3 1913 B8R0.7 C=CCCOCC(C)F 35268cb4c3d8d39c50e552ba36723a50 [0,1,0,0,0,0|2,0,0]=3 1914 B8R0.7 C=CCCOCC(C)S 0b13fb2271dc81ae4874cca9b955c6d8 [0,1,0,0,0,0|2,0,0]=3 1915 B8R0.7 C=CCCOCC(F)F 6260197839e9b0bd53c38105376f5ce4 [0,1,0,0,0,0|3,0,0]=4 1916 B8R0.7 C=CCCOCN(C)C 5bd37421946c502614179aa125c68111 [0,1,0,0,0,0|3,0,0]=4 1917 B8R0.7 C=CCCOC[C@@H](C)F 33ed1a4a48834dadd0ef0c94077124ed [0,1,0,0,0,0|2,0,0]=3 1918 B8R0.7 C=CCCOC[C@H](C)F f03681ee0a33fbb7ce4605edeb70867a [0,1,0,0,0,0|2,0,0]=3 1919 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [0,1,0,0,0,0|2,0,1]=4 1920 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [0,1,0,0,0,0|1,0,2]=4 1921 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,1,0,0,0,0|1,0,2]=4 1922 B8R0.7 C=CCNCCC(C)C 02f8ade1f1fe2a42fcd16f311d553eac [0,1,0,0,0,0|2,0,0]=3 1923 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [0,1,0,0,0,0|2,0,0]=3 1924 B8R0.7 C=CCNCCC(F)F 00feac2f022fbea9446017d3a5daab19 [0,1,0,0,0,0|3,0,0]=4 1925 B8R0.7 C=CCNCCN(C)C 1b3ce81826c26bea5ab385b244bc798b [0,1,0,0,0,0|3,0,0]=4 1926 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [0,1,0,0,0,0|3,0,0]=4 1927 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [0,1,0,0,0,0|2,0,0]=3 1928 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [0,1,0,0,0,0|2,0,0]=3 1929 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,1,0,0,0,0|2,0,1]=4 1930 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,1,0,0,0,0|1,0,2]=4 1931 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [0,1,0,0,0,0|1,0,2]=4 1932 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,1,0,0,0,0|1,0,2]=4 1933 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [0,1,0,0,0,0|2,0,0]=3 1934 B8R0.7 C=CCOCCC(F)F b5e1a9f7594fe176cf88dcb350f843cd [0,1,0,0,0,0|3,0,0]=4 1935 B8R0.7 C=CCOCCN(C)C 396f0cb9f4d9139b3793f0355979ea47 [0,1,0,0,0,0|3,0,0]=4 1936 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [0,1,0,0,0,0|3,0,0]=4 1937 B8R0.7 C=COCCNC(C)C add3040c31282427bcf36ce2a3978af4 [0,1,0,0,0,0|3,0,0]=4 1938 B8R0.7 C=COCCOC(C)C 5cd8e52b6baa2e7d14f9120affa1c52b [0,1,0,0,0,0|3,0,0]=4 1939 B8R0.7 CC#CCNCC(=O)N 98e7dd49acfde0590b88c5c43e6a2d4e [0,1,0,0,0,0|1,0,2]=4 1940 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,1,0,0,0,0|1,0,2]=4 1941 B8R0.7 CC#CCOCC(=O)N ef79d1ce9d8ff13308dca4126378cdb3 [0,1,0,0,0,0|1,0,2]=4 1942 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,1,0,0,0,0|1,0,2]=4 1943 B8R0.7 CC(=CCNCC=O)C 3064b3a277f78689989dd384c9ba4954 [0,1,0,0,0,0|1,0,2]=4 1944 B8R0.7 CC(=CCOCC=O)C 4ab5a59373408a34b4481ca370ab3cf9 [0,1,0,0,0,0|1,0,2]=4 1945 B8R0.7 CC(=CCOCC=O)I 2ac83cd845f1ff2fdd354fa23b1e9ba4 [0,1,0,0,0,0|1,0,2]=4 1946 B8R0.7 CC(=O)CCCNC#N 8b7273c99af5c82cd0047226199ec8d9 [0,1,0,0,0,0|2,0,1]=4 1947 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,1,0,0,0,0|2,0,0]=3 1948 B8R0.7 CC(=O)CCNCC#N 769fb98f7c4af2806e1b1e6106e1fb3b [0,1,0,0,0,0|2,0,1]=4 1949 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,1,0,0,0,0|2,0,0]=3 1950 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,1,0,0,0,0|2,0,0]=3 1951 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,1,0,0,0,0|2,0,0]=3 1952 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,1,0,0,0,0|2,0,0]=3 1953 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,1,0,0,0,0|2,0,0]=3 1954 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,1,0,0,0,0|2,0,1]=4 1955 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,1,0,0,0,0|1,0,1]=3 1956 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,1,0,0,0,0|2,0,0]=3 1957 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,1,0,0,0,0|2,0,0]=3 1958 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,1,0,0,0,0|2,0,1]=4 1959 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,1,0,0,0,0|1,0,1]=3 1960 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,1,0,0,0,0|2,0,0]=3 1961 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,1,0,0,0,0|2,0,0]=3 1962 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,1,0,0,0,0|2,0,0]=3 1963 B8R0.7 CC(=O)COCCC#N 124c12496a741677c11befadae46beff [0,1,0,0,0,0|2,0,1]=4 1964 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,1,0,0,0,0|1,0,1]=3 1965 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,1,0,0,0,0|2,0,0]=3 1966 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,1,0,0,0,0|2,0,0]=3 1967 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [0,1,0,0,0,0|2,0,1]=4 1968 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,1,0,0,0,0|2,0,0]=3 1969 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,1,0,0,0,0|2,0,0]=3 1970 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,1,0,0,0,0|2,0,0]=3 1971 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [0,1,0,0,0,0|2,0,1]=4 1972 B8R0.7 CC(=O)NCCNCF db91b63aaf221a36f5f6ac9412eb39bb [0,1,0,0,0,0|3,0,0]=4 1973 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,1,0,0,0,0|3,0,0]=4 1974 B8R0.7 CC(=O)NCCOCF 64711f295825afc1aa99ebd9c8f8a648 [0,1,0,0,0,0|3,0,0]=4 1975 B8R0.7 CC(=O)NCOCC=O 310db67b0a81e8cdbbbd8479bed9a419 [0,1,0,0,0,0|2,0,1]=4 1976 B8R0.7 CC(=O)NCOCCF 71f4d510aaa6fcd6f0cc129128b41850 [0,1,0,0,0,0|3,0,0]=4 1977 B8R0.7 CC(=O)NCOCCS ea386d431c82b5e4a577412c44abfbbd [0,1,0,0,0,0|3,0,0]=4 1978 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [0,1,0,0,0,0|3,0,0]=4 1979 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [0,1,0,0,0,0|3,0,0]=4 1980 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [0,1,0,0,0,0|3,0,0]=4 1981 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [0,1,0,0,0,0|3,0,0]=4 1982 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,1,0,0,0,0|3,0,0]=4 1983 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [0,1,0,0,0,0|3,0,0]=4 1984 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [0,1,0,0,0,0|3,0,0]=4 1985 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [0,1,0,0,0,0|3,0,0]=4 1986 B8R0.7 CC(C)CCCNC#N b26d986ff5d7d2e96e2228fa15fa9499 [0,1,0,0,0,0|2,0,1]=4 1987 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [0,1,0,0,0,0|1,0,0]=2 1988 B8R0.7 CC(C)CCCNCF db99dd2fc56150b995ab6795ced65117 [0,1,0,0,0,0|2,0,1]=4 1989 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,1,0,0,0,0|1,0,2]=4 1990 B8R0.7 CC(C)CCCOCF 074ff3c76c900e9b0ff85e608ffe9d01 [0,1,0,0,0,0|2,0,1]=4 1991 B8R0.7 CC(C)CCNCC#N ef2455ad975761f49e382ff01598923b [0,1,0,0,0,0|2,0,1]=4 1992 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,1,0,0,0,0|1,0,0]=2 1993 B8R0.7 CC(C)CCNCCBr 63072d1bb0b37e13e4137a2658df5d3f [0,1,0,0,0,0|2,0,1]=4 1994 B8R0.7 CC(C)CCNCCF fa88e798a35cb724c574c6d9beb4e026 [0,1,0,0,0,0|2,0,1]=4 1995 B8R0.7 CC(C)CCNCCI 23da00c7d0e9607a32f436f0aa75fc42 [0,1,0,0,0,0|2,0,1]=4 1996 B8R0.7 CC(C)CCNCCO 8808dbc8c43d3215658a37aae8c42922 [0,1,0,0,0,0|1,0,2]=4 1997 B8R0.7 CC(C)CCNCCS f6fd9c0c9c1c8fd19eba108b534a9da0 [0,1,0,0,0,0|1,1,1]=4 1998 B8R0.7 CC(C)CCOCC#N b3cac106bbceade6f75af0b197358303 [0,1,0,0,0,0|2,0,1]=4 1999 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,1,0,0,0,0|1,0,0]=2 2000 B8R0.7 CC(C)CCOCCF 8c34c8e85518cf7592e3f685afefb143 [0,1,0,0,0,0|2,0,1]=4 2001 B8R0.7 CC(C)CCOCCS 32244445bbb2f48b4effe9772a2a7a0f [0,1,0,0,0,0|1,1,1]=4 2002 B8R0.7 CC(C)CNC/C=C/Cl 3d0b71abeed706a73e3b7c22029cb15d [0,1,0,0,0,0|2,0,1]=4 2003 B8R0.7 CC(C)CNC/C=C\Cl 18bcca763523de9a85009fd8c2251730 [0,1,0,0,0,0|2,0,1]=4 2004 B8R0.7 CC(C)CNC/C=C\O 2a9e8c84ec357ff0db3f516b3676402a [0,1,0,0,0,0|1,0,2]=4 2005 B8R0.7 CC(C)CNCCC#N 6afc924d6727acdfd4cea38494c8555d [0,1,0,0,0,0|2,0,1]=4 2006 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,1,0,0,0,0|1,0,0]=2 2007 B8R0.7 CC(C)CNCCCCl 83551d904dbd627980ba793c1942d0e5 [0,1,0,0,0,0|2,0,1]=4 2008 B8R0.7 CC(C)CNCCCF e685da6699f44994d973febb9b810867 [0,1,0,0,0,0|2,0,1]=4 2009 B8R0.7 CC(C)CNCCCO 1cd6cdd205d9b8765f3eafc45298521d [0,1,0,0,0,0|1,0,2]=4 2010 B8R0.7 CC(C)CNCCCS 240b44f5bc44a9ca7d752febf9653f98 [0,1,0,0,0,0|1,1,1]=4 2011 B8R0.7 CC(C)CNCCON 8e91a62e1bb43e3a5c1b835333643145 [0,1,0,0,0,0|3,0,0]=4 2012 B8R0.7 CC(C)COC/C=C/Cl 0ce53ca30a5622eb088c942e21e74c99 [0,1,0,0,0,0|2,0,1]=4 2013 B8R0.7 CC(C)COC/C=C\Cl b887caec2d2df942d09a1c5e2755f136 [0,1,0,0,0,0|2,0,1]=4 2014 B8R0.7 CC(C)COCC=CCl 0153146ea4223b17bea15a288ddd0a0c [0,1,0,0,0,0|2,0,1]=4 2015 B8R0.7 CC(C)COCCC#N 70e50476844f1c704ebc6094f2361362 [0,1,0,0,0,0|2,0,1]=4 2016 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,1,0,0,0,0|1,0,0]=2 2017 B8R0.7 CC(C)COCCCF 47b3e7003392b7e4d6af83ce49e8ae15 [0,1,0,0,0,0|2,0,1]=4 2018 B8R0.7 CC(C)COCCCS 4a6bc2e192e2a8c81d6a0173f59ed2af [0,1,0,0,0,0|1,1,1]=4 2019 B8R0.7 CC(C)NCCCC#N faa61ecb1dda45de27e6e00a170e9407 [0,1,0,0,0,0|2,0,1]=4 2020 B8R0.7 CC(C)NCCCCCl 760ce504f04b0a2c192a1d1765dbdc9f [0,1,0,0,0,0|2,0,1]=4 2021 B8R0.7 CC(C)NCCCCO cac322fa4c207db5bec318c0141a5615 [0,1,0,0,0,0|1,0,2]=4 2022 B8R0.7 CC(C)NCCCCS 974c6621180d0a894c4f21e582cd2063 [0,1,0,0,0,0|1,1,1]=4 2023 B8R0.7 CC(C)OC/C=C/C=O 4e4160efe718f5443229ce2fbcf01269 [0,1,0,0,0,0|1,0,2]=4 2024 B8R0.7 CC(C)OCCCC#N 71b8013ef203dbf4432810bfa1831972 [0,1,0,0,0,0|2,0,1]=4 2025 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [0,1,0,0,0,0|1,0,0]=2 2026 B8R0.7 CC(C)OCCCCF f9388f7924de81152ad266bc0e0fb91b [0,1,0,0,0,0|2,0,1]=4 2027 B8R0.7 CC(C)OCCCCS 7024b4637fc758d50ee27d269b165a7f [0,1,0,0,0,0|1,1,1]=4 2028 B8R0.7 CC(C)OCCNC=O 9db582d0158adc28dc148f1bd6556868 [0,1,0,0,0,0|2,0,0]=3 2029 B8R0.7 CC(C)OCCOC=O 1a56f018311ee77835abf65d4ff13081 [0,1,0,0,0,0|2,0,0]=3 2030 B8R0.7 CC(F)COC/C=C/Cl 90674d7108e0cfe9cd8984a212fc52b4 [0,1,0,0,0,0|2,0,1]=4 2031 B8R0.7 CC(F)COC/C=C\Cl accff6ac09f074df9693c9cc04b282c9 [0,1,0,0,0,0|2,0,1]=4 2032 B8R0.7 CC(F)COCCC#N ae3a47e300eecdff1ef2e1529334c4dd [0,1,0,0,0,0|2,0,1]=4 2033 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [0,1,0,0,0,0|1,0,0]=2 2034 B8R0.7 CC(F)COCCCF 38263380a67c44c16346ab110c4b14ed [0,1,0,0,0,0|2,0,1]=4 2035 B8R0.7 CC(F)COCCCS fe888356fa7666952d363a84eef052cb [0,1,0,0,0,0|1,1,1]=4 2036 B8R0.7 CC(O)CCCNC#N f5204db338ac95f905fdf8c02ea602e4 [0,1,0,0,0,0|2,0,1]=4 2037 B8R0.7 CC(O)CCNCC#N 8839b15c450319cdc3d23d65a5edf4ef [0,1,0,0,0,0|2,0,1]=4 2038 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,1,0,0,0,0|1,0,0]=2 2039 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,1,0,0,0,0|2,0,1]=4 2040 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,1,0,0,0,0|2,0,1]=4 2041 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,1,0,0,0,0|2,0,1]=4 2042 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,1,0,0,0,0|1,0,2]=4 2043 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,1,0,0,0,0|1,1,1]=4 2044 B8R0.7 CC(O)CNC/C=C/Cl 911805d4d35f739674d30a544d541cca [0,1,0,0,0,0|2,0,1]=4 2045 B8R0.7 CC(O)CNC/C=C\Cl adfc3a4f16ef51e132e8e698b947e7e0 [0,1,0,0,0,0|2,0,1]=4 2046 B8R0.7 CC(O)CNC/C=C\O 89dda98f784ad5fb1006822a0c7c6dbd [0,1,0,0,0,0|1,0,2]=4 2047 B8R0.7 CC(O)CNCCC#N 10f7926ab58dfa7eba7767fe01cc5073 [0,1,0,0,0,0|2,0,1]=4 2048 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,1,0,0,0,0|1,0,0]=2 2049 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,1,0,0,0,0|2,0,1]=4 2050 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,1,0,0,0,0|2,0,1]=4 2051 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,1,0,0,0,0|1,0,2]=4 2052 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,1,0,0,0,0|1,1,1]=4 2053 B8R0.7 CC(O)CNCCON b1f97ecb062790a9ea413ad85e71fa34 [0,1,0,0,0,0|3,0,0]=4 2054 B8R0.7 CC(S)COC/C=C/Cl af65193c5176b7e8d998fc11ed075f00 [0,1,0,0,0,0|2,0,1]=4 2055 B8R0.7 CC(S)COC/C=C\Cl fe825164f6147c8466898f28e03ba53d [0,1,0,0,0,0|2,0,1]=4 2056 B8R0.7 CC(S)COCCC#N 3bf5cf4d2eafdc8d3c34cfc6a53dd8cd [0,1,0,0,0,0|2,0,1]=4 2057 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [0,1,0,0,0,0|1,0,0]=2 2058 B8R0.7 CC(S)COCCCF 1229d17f0ba7624aa77ee6d4b579a426 [0,1,0,0,0,0|2,0,1]=4 2059 B8R0.7 CC(S)COCCCS 94410c03f092028f1e752124b10b39f6 [0,1,0,0,0,0|1,1,1]=4 2060 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,1,0,0,0,0|1,0,2]=4 2061 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,1,0,0,0,0|1,0,2]=4 2062 B8R0.7 CC=CCNCC(C)C 0ee3addc23bb078a62f5c57c3de30544 [0,1,0,0,0,0|2,0,1]=4 2063 B8R0.7 CC=CCNCC(C)O 3355a6f27ac95da3103ef606509bbc54 [0,1,0,0,0,0|2,0,1]=4 2064 B8R0.7 CC=CCNC[C@@H](C)O bb14a2a5b0f2f934973f50d6088143bf [0,1,0,0,0,0|2,0,1]=4 2065 B8R0.7 CC=CCNC[C@H](C)O a80e401a4fa769c8d578a7424ece8141 [0,1,0,0,0,0|2,0,1]=4 2066 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,1,0,0,0,0|1,0,2]=4 2067 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,1,0,0,0,0|1,0,2]=4 2068 B8R0.7 CC=CCOCC(C)C ccd450e3ab198b216809b6e4042e1597 [0,1,0,0,0,0|2,0,1]=4 2069 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,1,0,0,0,0|1,0,0]=2 2070 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [0,1,0,0,0,0|2,0,1]=4 2071 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,1,0,0,0,0|2,0,1]=4 2072 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,1,0,0,0,0|1,0,0]=2 2073 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,1,0,0,0,0|1,0,0]=2 2074 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,1,0,0,0,0|1,0,0]=2 2075 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [0,1,0,0,0,0|2,0,1]=4 2076 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,1,0,0,0,0|1,0,2]=4 2077 B8R0.7 CCCCNCC(F)F 59c1dd31b1633b5881723b5df4d70221 [0,1,0,0,0,0|2,0,1]=4 2078 B8R0.7 CCCCNCN(C)C e1ce7e7ec8d6dee5ae81d311d66afe96 [0,1,0,0,0,0|3,0,0]=4 2079 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,1,0,0,0,0|1,0,2]=4 2080 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,1,0,0,0,0|1,0,2]=4 2081 B8R0.7 CCCCNC[N+](=O)[O-] b37a4d591c4d5c287e1ebe6ace96f684 [0,1,0,0,0,0|2,0,0]=3 2082 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,1,0,0,0,0|1,0,0]=2 2083 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,1,0,0,0,0|1,0,0]=2 2084 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,1,0,0,0,0|1,0,0]=2 2085 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,1,0,0,0,0|1,1,0]=3 2086 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [0,1,0,0,0,0|2,0,1]=4 2087 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [0,1,0,0,0,0|2,0,1]=4 2088 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [0,1,0,0,0,0|1,1,1]=4 2089 B8R0.7 CCCCOCC(F)F aaeb3cfc8ecfd31ba743b6647a74b0e1 [0,1,0,0,0,0|2,0,1]=4 2090 B8R0.7 CCCCOCN(C)C 3598f39145ccde2eee87aa91337fcbb4 [0,1,0,0,0,0|3,0,0]=4 2091 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,1,0,0,0,0|2,0,0]=3 2092 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [0,1,0,0,0,0|2,0,1]=4 2093 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [0,1,0,0,0,0|2,0,1]=4 2094 B8R0.7 CCCCOC[N+](=O)[O-] 94b3f3bcc50279ace071168fd7298364 [0,1,0,0,0,0|2,0,0]=3 2095 B8R0.7 CCCNC/C=C(/C)\I a77ce06125d9c73831e62376d6be0fc0 [0,1,0,0,0,0|2,0,1]=4 2096 B8R0.7 CCCNC/C=C(\C)/Cl 126e03eaad5b55a6a1e28418959632f2 [0,1,0,0,0,0|2,0,1]=4 2097 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [0,1,0,0,0,0|2,0,1]=4 2098 B8R0.7 CCCNCC=C(C)Cl efaac4fe73efd3293fd70f693c290d56 [0,1,0,0,0,0|2,0,1]=4 2099 B8R0.7 CCCNCC=C(C)I a5752b317cc0800d3b92ad72ab74de8f [0,1,0,0,0,0|2,0,1]=4 2100 B8R0.7 CCCNCC=C(Cl)Cl a28bbaeb77f480d6b1b0308eb964a955 [0,1,0,0,0,0|2,0,1]=4 2101 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,1,0,0,0,0|1,0,0]=2 2102 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,1,0,0,0,0|1,0,0]=2 2103 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,1,0,0,0,0|1,0,0]=2 2104 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,1,0,0,0,0|1,1,0]=3 2105 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [0,1,0,0,0,0|2,0,1]=4 2106 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,1,0,0,0,0|1,0,2]=4 2107 B8R0.7 CCCNCCC(F)F 06bc8dd7195781c8fa8e64160537904c [0,1,0,0,0,0|2,0,1]=4 2108 B8R0.7 CCCNCCN(C)C 1fd7d9835f7eceefef0e4025a05690fb [0,1,0,0,0,0|3,0,0]=4 2109 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,1,0,0,0,0|2,0,0]=3 2110 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,1,0,0,0,0|2,0,0]=3 2111 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,1,0,0,0,0|1,0,2]=4 2112 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,1,0,0,0,0|1,0,2]=4 2113 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,1,0,0,0,0|2,0,0]=3 2114 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,1,0,0,0,0|2,0,0]=3 2115 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [0,1,0,0,0,0|2,0,1]=4 2116 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [0,1,0,0,0,0|2,0,1]=4 2117 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [0,1,0,0,0,0|2,0,1]=4 2118 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [0,1,0,0,0,0|2,0,1]=4 2119 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [0,1,0,0,0,0|2,0,1]=4 2120 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [0,1,0,0,0,0|2,0,1]=4 2121 B8R0.7 CCCOCC=C(Cl)Cl 0d884fb615940692bddcdbe164ef960a [0,1,0,0,0,0|2,0,1]=4 2122 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,1,0,0,0,0|1,0,0]=2 2123 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,1,0,0,0,0|1,0,0]=2 2124 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,1,0,0,0,0|1,0,0]=2 2125 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [0,1,0,0,0,0|2,0,1]=4 2126 B8R0.7 CCCOCCC(F)F c238cb362dacb265d2fe0fdc1ac7cda2 [0,1,0,0,0,0|2,0,1]=4 2127 B8R0.7 CCCOCCN(C)C 79c8f5d530bd776f1befe5ca1224c45c [0,1,0,0,0,0|3,0,0]=4 2128 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,1,0,0,0,0|2,0,0]=3 2129 B8R0.7 CCCOCC[N+](=O)[O-] 11f99b66cb4f802bc9ea03fcd4d8e421 [0,1,0,0,0,0|2,0,0]=3 2130 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,1,0,0,0,0|2,0,0]=3 2131 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,1,0,0,0,0|2,0,0]=3 2132 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,1,0,0,0,0|2,0,0]=3 2133 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,1,0,0,0,0|2,0,0]=3 2134 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,1,0,0,0,0|1,0,2]=4 2135 B8R0.7 CCNCC#CC(=O)N 3ed8df5b98a3cc4f23be821cadba243e [0,1,0,0,0,0|1,0,2]=4 2136 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [0,1,0,0,0,0|1,0,2]=4 2137 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,1,0,0,0,0|1,0,2]=4 2138 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,1,0,0,0,0|1,0,0]=2 2139 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,1,0,0,0,0|1,0,0]=2 2140 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [0,1,0,0,0,0|2,0,1]=4 2141 B8R0.7 CCNCCCN(C)C 90ee4ab5b9e6c4ea77050abf169d2a99 [0,1,0,0,0,0|3,0,0]=4 2142 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,1,0,0,0,0|2,0,0]=3 2143 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,1,0,0,0,0|2,0,0]=3 2144 B8R0.7 CCNCCNC(=S)N 8fc810e8d29b290b15d6cde2db7581aa [0,1,0,0,0,0|2,1,0]=4 2145 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,1,0,0,0,0|1,0,2]=4 2146 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [0,1,0,0,0,0|1,0,2]=4 2147 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,1,0,0,0,0|1,0,2]=4 2148 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,1,0,0,0,0|1,0,0]=2 2149 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,1,0,0,0,0|1,0,0]=2 2150 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [0,1,0,0,0,0|2,0,1]=4 2151 B8R0.7 CCOCCCN(C)C aea7d760e9c8771a1ef45b93a8f9f7c3 [0,1,0,0,0,0|3,0,0]=4 2152 B8R0.7 CCOCCC[N+](=O)[O-] 71c6eb2b7e36ed7d09037020112f4423 [0,1,0,0,0,0|2,0,0]=3 2153 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,1,0,0,0,0|2,0,0]=3 2154 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,1,0,0,0,0|2,0,0]=3 2155 B8R0.7 CCOCCNC(=S)N d18ad8983712a47acdc463189d7e5669 [0,1,0,0,0,0|2,1,0]=4 2156 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,1,0,0,0,0|2,0,0]=3 2157 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,1,0,0,0,0|2,0,0]=3 2158 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,1,0,0,0,0|2,0,0]=3 2159 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,1,0,0,0,0|2,0,0]=3 2160 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,1,0,0,0,0|2,0,0]=3 2161 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,1,0,0,0,0|2,0,0]=3 2162 B8R0.7 CCOCOCC(=S)N 954df826bc8116ccaedc3c11f318ede4 [0,1,0,0,0,0|2,1,0]=4 2163 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,1,0,0,0,0|3,0,0]=4 2164 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,1,0,0,0,0|2,0,0]=3 2165 B8R0.7 CN(C)CCCNC=O 5a07256aa2b2dc2ccccdfecfcf5dd80b [0,1,0,0,0,0|2,0,0]=3 2166 B8R0.7 CN(C)CCNCC=O 29f095735c40145ed9940de03c146b31 [0,1,0,0,0,0|2,0,0]=3 2167 B8R0.7 CN(C)CCOCC=O f2f32f3186f4b25325b639bd2505a675 [0,1,0,0,0,0|2,0,0]=3 2168 B8R0.7 CN(C)COCCC=O a90c5f93b3add179fffb905e406fd25f [0,1,0,0,0,0|2,0,0]=3 2169 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,1,0,0,0,0|2,0,0]=3 2170 B8R0.7 COCCCNC(C)C c96e3047c8ced8f316486e1c2cd3b324 [0,1,0,0,0,0|3,0,0]=4 2171 B8R0.7 COCCCOC(C)C 5684bb8a7ac01785c80283a1f20a9ef4 [0,1,0,0,0,0|3,0,0]=4 2172 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,1,0,0,0,0|2,0,0]=3 2173 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,1,0,0,0,0|2,0,0]=3 2174 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,1,0,0,0,0|2,0,0]=3 2175 B8R0.7 COCCNCC(C)C 0f93e00b6918ab89e337016dce5ddb5a [0,1,0,0,0,0|3,0,0]=4 2176 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,1,0,0,0,0|3,0,0]=4 2177 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,1,0,0,0,0|3,0,0]=4 2178 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,1,0,0,0,0|3,0,0]=4 2179 B8R0.7 COCCNC[N+](=O)[O-] 6c9c36a0e0856616a148c80934d0b31f [0,1,0,0,0,0|3,0,0]=4 2180 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,1,0,0,0,0|2,0,0]=3 2181 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,1,0,0,0,0|2,0,0]=3 2182 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,1,0,0,0,0|2,0,0]=3 2183 B8R0.7 COCCOCC(=S)N f6b7727d398d2dd73460849d3902a55b [0,1,0,0,0,0|2,1,0]=4 2184 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [0,1,0,0,0,0|3,0,0]=4 2185 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [0,1,0,0,0,0|3,0,0]=4 2186 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [0,1,0,0,0,0|3,0,0]=4 2187 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,1,0,0,0,0|3,0,0]=4 2188 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [0,1,0,0,0,0|3,0,0]=4 2189 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [0,1,0,0,0,0|3,0,0]=4 2190 B8R0.7 COCCOC[N+](=O)[O-] 21fa290ed814068495c8c8fca5430a92 [0,1,0,0,0,0|3,0,0]=4 2191 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,1,0,0,0,0|2,0,0]=3 2192 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,1,0,0,0,0|2,0,0]=3 2193 B8R0.7 COCNCCC(=S)N dfaeaddb57f804fe439256ee90df51d4 [0,1,0,0,0,0|2,1,0]=4 2194 B8R0.7 COCNCCC(C)C d504197e2de2477c0ef95d33ccdc019c [0,1,0,0,0,0|3,0,0]=4 2195 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,1,0,0,0,0|3,0,0]=4 2196 B8R0.7 COCNCCS(=O)C c1b03b36250a7d65845034eba40ff581 [0,1,0,0,0,0|3,0,0]=4 2197 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,1,0,0,0,0|3,0,0]=4 2198 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,1,0,0,0,0|3,0,0]=4 2199 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,1,0,0,0,0|3,0,0]=4 2200 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,1,0,0,0,0|2,0,0]=3 2201 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,1,0,0,0,0|2,0,0]=3 2202 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,1,0,0,0,0|2,0,0]=3 2203 B8R0.7 COCOCCC(C)C bcaaca22e174aa65ea31c88fa163f2b9 [0,1,0,0,0,0|3,0,0]=4 2204 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,1,0,0,0,0|3,0,0]=4 2205 B8R0.7 COCOCC[N+](=O)[O-] 512b5dfce6ca5c0e78383ac0e7ff10e2 [0,1,0,0,0,0|3,0,0]=4 2206 B8R0.7 COCOCNC(=O)C 312d16668782054e8a09863d487deec3 [0,1,0,0,0,0|3,0,0]=4 2207 B8R0.7 COCOCNC(=O)N 8c51aa8d583d0d6c2d56097b83e9eb7a [0,1,0,0,0,0|3,0,0]=4 2208 B8R0.7 COCOCOC(=O)C 54249d0e78c186a79ad9be3cc51e7aac [0,1,0,0,0,0|3,0,0]=4 2209 B8R0.7 COCOCSC(=O)N f4fd591d10edf01493f31a36cb5acea5 [0,1,0,0,0,0|3,0,0]=4 2210 B8R0.7 CS(=O)CCCNC=O ac978e4dec6c59820deb2d60499ba3b0 [0,1,0,0,0,0|2,0,0]=3 2211 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,1,0,0,0,0|3,0,0]=4 2212 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,1,0,0,0,0|3,0,0]=4 2213 B8R0.7 CS(=O)CCNCC=O 8c3be09abac30b1ba1881382c982061c [0,1,0,0,0,0|2,0,0]=3 2214 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,1,0,0,0,0|3,0,0]=4 2215 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,1,0,0,0,0|3,0,0]=4 2216 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,1,0,0,0,0|3,0,0]=4 2217 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,1,0,0,0,0|3,0,0]=4 2218 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,1,0,0,0,0|3,0,0]=4 2219 B8R0.7 CS(=O)CCOCC=O 29eecdac67755e86d2be2b2f45a9b6a4 [0,1,0,0,0,0|2,0,0]=3 2220 B8R0.7 CS(=O)CCOCCF fdaadfc676436847a62c0e42bb0f6865 [0,1,0,0,0,0|3,0,0]=4 2221 B8R0.7 CS(=O)CCOCCS 189076507e3322af2f6154476fa0f988 [0,1,0,0,0,0|3,0,0]=4 2222 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,1,0,0,0,0|2,0,0]=3 2223 B8R0.7 CSCCCNC(C)C 6b279fd0ea31fe5ab25c2d7757b17983 [0,1,0,0,0,0|3,0,0]=4 2224 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [0,1,0,0,0,0|3,0,0]=4 2225 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,1,0,0,0,0|2,0,0]=3 2226 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,1,0,0,0,0|2,0,0]=3 2227 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,1,0,0,0,0|2,0,0]=3 2228 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,1,0,0,0,0|3,0,0]=4 2229 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,1,0,0,0,0|3,0,0]=4 2230 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,1,0,0,0,0|3,0,0]=4 2231 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,1,0,0,0,0|3,0,0]=4 2232 B8R0.7 CSCCNC[N+](=O)[O-] 4e94b2e61054a620ea96c1c59120e88c [0,1,0,0,0,0|3,0,0]=4 2233 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,1,0,0,0,0|2,0,0]=3 2234 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,1,0,0,0,0|2,0,0]=3 2235 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,1,0,0,0,0|2,0,0]=3 2236 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,1,0,0,0,0|2,1,0]=4 2237 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,1,0,0,0,0|3,0,0]=4 2238 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,1,0,0,0,0|3,0,0]=4 2239 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,1,0,0,0,0|3,0,0]=4 2240 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,1,0,0,0,0|3,0,0]=4 2241 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,1,0,0,0,0|3,0,0]=4 2242 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,1,0,0,0,0|3,0,0]=4 2243 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,1,0,0,0,0|3,0,0]=4 2244 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,1,0,0,0,0|2,0,0]=3 2245 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,1,0,0,0,0|2,0,0]=3 2246 B8R0.7 CSCNCCC(=S)N 07fc989e9e3a9aa655f41a9b936a37d9 [0,1,0,0,0,0|2,1,0]=4 2247 B8R0.7 CSCNCCC(C)C 1214140341214495e484e265d71b8d27 [0,1,0,0,0,0|3,0,0]=4 2248 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,1,0,0,0,0|3,0,0]=4 2249 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,1,0,0,0,0|3,0,0]=4 2250 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,1,0,0,0,0|3,0,0]=4 2251 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,1,0,0,0,0|3,0,0]=4 2252 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,1,0,0,0,0|3,0,0]=4 2253 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,1,0,0,0,0|2,0,0]=3 2254 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,1,0,0,0,0|2,0,0]=3 2255 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,1,0,0,0,0|2,0,0]=3 2256 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [0,1,0,0,0,0|3,0,0]=4 2257 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,1,0,0,0,0|3,0,0]=4 2258 B8R0.7 CSCOCC[N+](=O)[O-] a8e53e59529e1e59f22f7e8be399ce4a [0,1,0,0,0,0|3,0,0]=4 2259 B8R0.7 CSCOCNC(=O)C 30bfc52f57e4ed91a642bf8853a3d4bb [0,1,0,0,0,0|3,0,0]=4 2260 B8R0.7 CSCOCNC(=O)N e604504e4304b798bbdf3488c593e93f [0,1,0,0,0,0|3,0,0]=4 2261 B8R0.7 C[C@@H](F)COC/C=C/Cl 3084b724ec86a435cc92326eff4bc07d [0,1,0,0,0,0|2,0,1]=4 2262 B8R0.7 C[C@@H](F)COC/C=C\Cl d903aa13d2a4ccb15b76cca079e09ce7 [0,1,0,0,0,0|2,0,1]=4 2263 B8R0.7 C[C@@H](F)COCCC#N 74026afac769e937dd23fb09afadc217 [0,1,0,0,0,0|2,0,1]=4 2264 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [0,1,0,0,0,0|1,0,0]=2 2265 B8R0.7 C[C@@H](F)COCCCF 8805caf11ad5173a48da127f306cfd46 [0,1,0,0,0,0|2,0,1]=4 2266 B8R0.7 C[C@@H](F)COCCCS 52a73dcf003de152a94ea23565833dab [0,1,0,0,0,0|1,1,1]=4 2267 B8R0.7 C[C@@H](O)CCNCC#N 07f11473eb282800c579759c12b8e195 [0,1,0,0,0,0|2,0,1]=4 2268 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,1,0,0,0,0|1,0,0]=2 2269 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,1,0,0,0,0|2,0,1]=4 2270 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,1,0,0,0,0|1,0,2]=4 2271 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,1,0,0,0,0|1,1,1]=4 2272 B8R0.7 C[C@@H](O)CNC/C=C/Cl 9642a0465d2d4ee5355fb60bdc06194c [0,1,0,0,0,0|2,0,1]=4 2273 B8R0.7 C[C@@H](O)CNC/C=C\Cl 9631c3627e420c3b8d4d9af21f5bca26 [0,1,0,0,0,0|2,0,1]=4 2274 B8R0.7 C[C@@H](O)CNC/C=C\O b0e2de9bd6ee1dce177c518601acde7b [0,1,0,0,0,0|1,0,2]=4 2275 B8R0.7 C[C@@H](O)CNCCC#N 76d157afd1ee48e36135e012257d2afd [0,1,0,0,0,0|2,0,1]=4 2276 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,1,0,0,0,0|1,0,0]=2 2277 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,1,0,0,0,0|2,0,1]=4 2278 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,1,0,0,0,0|2,0,1]=4 2279 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,1,0,0,0,0|1,0,2]=4 2280 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,1,0,0,0,0|1,1,1]=4 2281 B8R0.7 C[C@@H](O)CNCCON cf5735b15a5d6d2ceccc8de528ff0d1e [0,1,0,0,0,0|3,0,0]=4 2282 B8R0.7 C[C@H](F)COC/C=C/Cl 79e4f5d261293d3f894dba2a84b270b8 [0,1,0,0,0,0|2,0,1]=4 2283 B8R0.7 C[C@H](F)COC/C=C\Cl fcec882a0409c369bfe6b9097f2de8c4 [0,1,0,0,0,0|2,0,1]=4 2284 B8R0.7 C[C@H](F)COCCC#N 0286496611c4cb397d561d795fe39623 [0,1,0,0,0,0|2,0,1]=4 2285 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [0,1,0,0,0,0|1,0,0]=2 2286 B8R0.7 C[C@H](F)COCCCF 1d700dd3528aa4704e235d13af34ba12 [0,1,0,0,0,0|2,0,1]=4 2287 B8R0.7 C[C@H](F)COCCCS 5c5cb3ef07f9bf5feab54c6a3593d0af [0,1,0,0,0,0|1,1,1]=4 2288 B8R0.7 C[C@H](O)CCNCC#N 444927f01db5dfbb8e82899248cdd74a [0,1,0,0,0,0|2,0,1]=4 2289 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,1,0,0,0,0|1,0,0]=2 2290 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,1,0,0,0,0|2,0,1]=4 2291 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,1,0,0,0,0|1,0,2]=4 2292 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,1,0,0,0,0|1,1,1]=4 2293 B8R0.7 C[C@H](O)CNC/C=C/Cl 52902402254d45c5f23ca520b8182523 [0,1,0,0,0,0|2,0,1]=4 2294 B8R0.7 C[C@H](O)CNC/C=C\Cl bbdd902d1f0a528ae8686493e2b4143e [0,1,0,0,0,0|2,0,1]=4 2295 B8R0.7 C[C@H](O)CNC/C=C\O 4b946d67a82b1c232fb5785efe4fcee0 [0,1,0,0,0,0|1,0,2]=4 2296 B8R0.7 C[C@H](O)CNCCC#N f9295a02cf77f70c51159fea1fcb5e9e [0,1,0,0,0,0|2,0,1]=4 2297 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,1,0,0,0,0|1,0,0]=2 2298 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,1,0,0,0,0|2,0,1]=4 2299 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,1,0,0,0,0|2,0,1]=4 2300 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,1,0,0,0,0|1,0,2]=4 2301 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,1,0,0,0,0|1,1,1]=4 2302 B8R0.7 C[C@H](O)CNCCON 0c3e84561343164f8035aff04b6f605b [0,1,0,0,0,0|3,0,0]=4 2303 B8R0.7 N#CCCNCC(=O)N 22baa5d30b3fc28c227dca0f335531a0 [0,1,0,0,0,0|2,0,1]=4 2304 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,1,0,0,0,0|2,0,1]=4 2305 B8R0.7 N#CCCOCC(=O)N b99ce03c0315cf66d8d4c6d4a3bf1d14 [0,1,0,0,0,0|2,0,1]=4 2306 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,1,0,0,0,0|2,0,1]=4 2307 B8R0.7 N#CCNCCC(=O)N dc2c92addb1257280c2705d4f7fcbab5 [0,1,0,0,0,0|2,0,1]=4 2308 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,1,0,0,0,0|2,0,1]=4 2309 B8R0.7 N#CCOCCC(=O)N 948f9d5fd94bc56f98e2861842051f65 [0,1,0,0,0,0|2,0,1]=4 2310 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,1,0,0,0,0|2,0,1]=4 2311 B8R0.7 N#CNCCCC(=O)N ef227e040a3bcca70ffd623e61b2b8f8 [0,1,0,0,0,0|2,0,1]=4 2312 B8R0.7 NC(=O)CCCNC=O 5a008bd91d929501df5e65e014bf8d35 [0,1,0,0,0,0|2,0,1]=4 2313 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,1,0,0,0,0|2,0,0]=3 2314 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,1,0,0,0,0|2,0,0]=3 2315 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,1,0,0,0,0|2,0,0]=3 2316 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [0,1,0,0,0,0|2,0,1]=4 2317 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,1,0,0,0,0|2,0,0]=3 2318 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,1,0,0,0,0|2,0,0]=3 2319 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,1,0,0,0,0|2,0,0]=3 2320 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,1,0,0,0,0|2,0,0]=3 2321 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,1,0,0,0,0|2,0,0]=3 2322 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [0,1,0,0,0,0|2,0,1]=4 2323 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,1,0,0,0,0|2,0,0]=3 2324 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,1,0,0,0,0|2,0,0]=3 2325 B8R0.7 NC(=O)CNCCC=O 388d425389a4b244bea589395eabcddd [0,1,0,0,0,0|2,0,1]=4 2326 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,1,0,0,0,0|2,0,0]=3 2327 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,1,0,0,0,0|2,0,0]=3 2328 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,1,0,0,0,0|2,0,0]=3 2329 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,1,0,0,0,0|2,0,0]=3 2330 B8R0.7 NC(=O)COCCC=O a002e12bccccfe874b23b19106d1c078 [0,1,0,0,0,0|2,0,1]=4 2331 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,1,0,0,0,0|2,0,0]=3 2332 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,1,0,0,0,0|2,0,0]=3 2333 B8R0.7 NC(=O)NCCOCF 6cf2e6129bf0181d6cd1339653610748 [0,1,0,0,0,0|3,0,0]=4 2334 B8R0.7 NC(=O)NCOCCF 70e12722ed7f3cb3265862a7036f0a5b [0,1,0,0,0,0|3,0,0]=4 2335 B8R0.7 NC(=O)NCOCCS 31a58401280f8e87024f965b56e917c9 [0,1,0,0,0,0|3,0,0]=4 2336 B8R0.7 NC(=O)SCNCCBr a18bbb3388dfdcfd1f6f509fd5fbda0b [0,1,0,0,0,0|3,0,0]=4 2337 B8R0.7 NC(=O)SCNCCF 4a29eb06061c53fde2f8ddeddc4ba291 [0,1,0,0,0,0|3,0,0]=4 2338 B8R0.7 NC(=O)SCNCCI cb063e4fec88bd89544691f69806660f [0,1,0,0,0,0|3,0,0]=4 2339 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,1,0,0,0,0|3,0,0]=4 2340 B8R0.7 NC(=O)SCNCCS 0b0215353189fed4528d74a89e9c9b1e [0,1,0,0,0,0|3,0,0]=4 2341 B8R0.7 NC(=O)SCOCCS 7bd5c5dadb46c042939556ce57d641a3 [0,1,0,0,0,0|3,0,0]=4 2342 B8R0.7 NC(=S)CCNCC=O 9f2567838bd63bb0e194913511ada410 [0,1,0,0,0,0|2,0,1]=4 2343 B8R0.7 NC(=S)CCNCCF 8efdf72e038c82a60bfa204c2dd1d661 [0,1,0,0,0,0|2,1,0]=4 2344 B8R0.7 NC(=S)CCNCCO 0bf63ce335ba1738d3e60f4bb45b5800 [0,1,0,0,0,0|2,1,0]=4 2345 B8R0.7 NC(=S)CCNCCS 278efba1496249e8c54fdcb82562e599 [0,1,0,0,0,0|2,1,0]=4 2346 B8R0.7 NC(=S)COCCC=O 7fdbe31f4da9b7a3b902136d155d8b49 [0,1,0,0,0,0|2,0,1]=4 2347 B8R0.7 NC(=S)COCCCF 276e389abf4633d6ecfcfef8f2d69a36 [0,1,0,0,0,0|2,1,0]=4 2348 B8R0.7 NC(=S)COCCCS f94616acf348ebe1f39d3ed9b66f65e4 [0,1,0,0,0,0|2,1,0]=4 2349 B8R0.7 NOCCNCC(=O)N 992a9e03e4089afbd7c51b6a0a2fa2b4 [0,1,0,0,0,0|3,0,0]=4 2350 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,1,0,0,0,0|3,0,0]=4 2351 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,1,0,0,0,0|2,0,0]=3 2352 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,1,0,0,0,0|2,0,0]=3 2353 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,1,0,0,0,0|2,0,0]=3 2354 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,1,0,0,0,0|2,0,0]=3 2355 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,1,0,0,0,0|2,0,0]=3 2356 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,1,0,0,0,0|2,0,0]=3 2357 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,1,0,0,0,0|2,0,0]=3 2358 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,1,0,0,0,0|2,0,0]=3 2359 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,1,0,0,0,0|2,0,0]=3 2360 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,1,0,0,0,0|2,0,0]=3 2361 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,1,0,0,0,0|2,0,0]=3 2362 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,1,0,0,0,0|2,0,0]=3 2363 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,1,0,0,0,0|2,0,0]=3 2364 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,1,0,0,0,0|2,0,0]=3 2365 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,1,0,0,0,0|2,0,0]=3 2366 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,1,0,0,0,0|2,0,1]=4 2367 B8R0.7 O=CCCNCC(F)F 00aa3292125883dcbd5abfb2aba15616 [0,1,0,0,0,0|2,0,0]=3 2368 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,1,0,0,0,0|2,0,1]=4 2369 B8R0.7 O=CCCOCC(F)F 3e9e6e81048071f99b0010d81f0f3255 [0,1,0,0,0,0|2,0,0]=3 2370 B8R0.7 O=CCCOCS(=O)O 3a0ab0c4f21b2feafdd9aaf59c492e10 [0,1,0,0,0,0|3,0,0]=4 2371 B8R0.7 O=CCCOC[N+](=O)[O-] 3223a72bc659f0272da6b2180416df44 [0,1,0,0,0,0|3,0,0]=4 2372 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,1,0,0,0,0|2,0,1]=4 2373 B8R0.7 O=CCNCCC(F)F 9d1172aa9d99b0c7e63054f3e9b872fa [0,1,0,0,0,0|2,0,0]=3 2374 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [0,1,0,0,0,0|3,0,0]=4 2375 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,1,0,0,0,0|2,0,1]=4 2376 B8R0.7 O=CCOCCC(F)F f9017dd3628f25b685f6611fcf21a34d [0,1,0,0,0,0|2,0,0]=3 2377 B8R0.7 O=CCOCC[N+](=O)[O-] d7eae29eb2b8747d445d21a9359a32d3 [0,1,0,0,0,0|3,0,0]=4 2378 B8R0.7 O=CNCCOC(F)F d78391a3ba4fed18408178af617a8cd0 [0,1,0,0,0,0|3,0,0]=4 2379 B8R0.7 O=S(O)CCNCCF 6ae83f604fb3678c54ffa14683ab0e36 [0,1,0,0,0,0|3,0,0]=4 2380 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,1,0,0,0,0|3,0,0]=4 2381 B8R0.7 O=S(O)CCNCCS 55afdc590ce640566907268f0a80beef [0,1,0,0,0,0|3,0,0]=4 2382 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,1,0,0,0,0|3,0,0]=4 2383 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,1,0,0,0,0|3,0,0]=4 2384 B8R0.7 O=[N+]([O-])CCCOCF aab59e8912b4305041ba80532ecfdf2d [0,1,0,0,0,0|3,0,0]=4 2385 B8R0.7 O=[N+]([O-])CCOCCF 8de0125fab2bc5ff24776c06c379f750 [0,1,0,0,0,0|3,0,0]=4 2386 B8R0.7 O=[N+]([O-])CCOCCS b2b05d807fc2754f36f1e96d86f8bfc7 [0,1,0,0,0,0|3,0,0]=4 2387 B8R0.7 O=[N+]([O-])CNCCCCl 692aac1f08b20bf41b0f84d279396fad [0,1,0,0,0,0|3,0,0]=4 2388 B8R0.7 O=[N+]([O-])CNCCCO 699823c2bacae1528b933bc0154f67ed [0,1,0,0,0,0|3,0,0]=4 2389 B8R0.7 O=[N+]([O-])COCCCF 0355b17e3672be8bcafdf15526afacb9 [0,1,0,0,0,0|3,0,0]=4 2390 B8R0.7 O=[N+]([O-])COCCCS 52c4280f786f46b5812ccfcc08a8ba20 [0,1,0,0,0,0|3,0,0]=4 2391 B8R1.2 CCN1CC=CCC1 0dfc6382e2eb71bb203dc8f8c11fc3a7 [0,0,0,1,0,0|2,0,1]=4 2392 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,0,0,1,0,0|3,0,0]=4 2393 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,0,0,1,0,0|3,0,0]=4 2394 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,0,0,1,0,0|1,0,2]=4 2395 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,0,0,1,0,0|2,0,0]=3 2396 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,0,0,1,0,0|2,0,0]=3 2397 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,0,0,1,0,0|2,0,0]=3 2398 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,0,0,1,0,0|2,0,0]=3 2399 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,0,0,1,0,0|3,0,0]=4 2400 B8R1.8 CCCN1CC=CC1 dffb66591d4209c0345506bebd28f7c4 [0,0,0,1,0,0|2,0,1]=4 2401 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,0,0,1,0,0|3,0,0]=4 2402 B8R1.8 CCNC1CC=CC1 a91d0c1c4516e5b7b75119739c97d720 [0,0,0,1,0,0|2,0,1]=4 2403 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,1,0,0|2,0,1]=4 2404 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [0,0,0,1,0,0|3,0,0]=4 2405 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,0,0,1,0,0|3,0,0]=4 2406 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [0,0,0,1,0,0|3,0,0]=4 2407 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [0,0,0,1,0,0|3,0,0]=4 2408 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,0,1,0,0|2,0,0]=3 2409 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [0,0,0,1,0,0|2,0,1]=4 2410 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|2,0,1]=4 2411 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,0,1,0,0|1,0,2]=4 2412 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,0,0,1,0,0|3,0,0]=4 2413 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,0,0,1,0,0|3,0,0]=4 2414 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,0,0,1,0,0|3,0,0]=4 2415 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,0,0,1,0,0|3,0,0]=4 2416 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,0,0,1,0,0|3,0,0]=4 2417 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,0,0,1,0,0|3,0,0]=4 2418 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,0,0,1,0,0|2,0,1]=4 2419 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,0,0,1,0,0|3,0,0]=4 2420 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,0,1,0,0|2,0,1]=4 2421 B8R1.8 N#CNC1CCCC1 1455c5fdc3e5fbc19f5d3501e1b484ad [0,0,0,1,0,0|2,0,1]=4 2422 B8R1.8 O=CCN1CC=CC1 c78c62756437a2f5c6a0f43870adfa5c [0,0,0,1,0,0|1,0,2]=4 2423 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,0,0,1,0,0|2,0,0]=3 2424 B8R1.8 O=CNC1CC=CC1 19ecdde8cbf64eb0bd156ac46c4fa7d5 [0,0,0,1,0,0|1,0,2]=4 2425 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,0,0,1,0,0|1,0,0]=2 2426 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,0,0,1,0,0|2,0,0]=3 2427 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,0,0,1,0,0|2,0,0]=3 2428 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,0,0,1,0,0|2,0,0]=3 2429 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,0,0,1,0,0|2,0,0]=3 2430 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,1,0,0|1,0,2]=4 2431 B8R1.9 C#CCNC1CC1C d0e8aad7b67e718a1372988616835859 [0,0,0,1,0,0|2,0,1]=4 2432 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,0,0,1,0,0|2,0,0]=3 2433 B8R1.9 C=C1CC1COCF 2ec32cf386c3f6aa6cd63403e7b0f2a1 [0,0,0,1,0,0|3,0,0]=4 2434 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [0,0,0,1,0,0|2,0,0]=3 2435 B8R1.9 C=CCN[C@@H]1C[C@H]1F 9c58b91285fc07d9524376c7c6c497ef [0,0,0,1,0,0|3,0,0]=4 2436 B8R1.9 C=CCN[C@H]1C[C@@H]1F 345eeeb38ef51570a44624a71a4184d6 [0,0,0,1,0,0|3,0,0]=4 2437 B8R1.9 C=CCN[C@H]1C[C@H]1F 80d76f0a7bfda1effa8e39706fa4211b [0,0,0,1,0,0|3,0,0]=4 2438 B8R1.9 CC1CC1COCF 0efb070ccdbaf1808a5f5a5c1bb3e217 [0,0,0,1,0,0|2,0,1]=4 2439 B8R1.9 CC1CC1NCC#N 05b96a5b91b05f622dd0bab8b058b8f1 [0,0,0,1,0,0|2,0,1]=4 2440 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,0,0,1,0,0|1,0,0]=2 2441 B8R1.9 CC1CC1NCCF 57d7955f9979d26743bea83a1db70e87 [0,0,0,1,0,0|2,0,1]=4 2442 B8R1.9 CC1CC1NCCO 4cde00481925a0824f1034e8ce0d4ec3 [0,0,0,1,0,0|1,0,2]=4 2443 B8R1.9 CC1CC1NCCS 0657ee02a4d9bc437769337d347aaeb2 [0,0,0,1,0,0|1,1,1]=4 2444 B8R1.9 CCCNC1CC1C 0a698bf1fb13624ef2e48e54bc092aff [0,0,0,1,0,0|2,0,1]=4 2445 B8R1.9 CCCN[C@@H]1C[C@H]1F 07aa43c95c9d08f0ae29dc5e4bcc3889 [0,0,0,1,0,0|2,0,1]=4 2446 B8R1.9 CCCN[C@H]1C[C@@H]1F 55532eeca14849d15f8451fb735a56a4 [0,0,0,1,0,0|2,0,1]=4 2447 B8R1.9 CCCN[C@H]1C[C@H]1F 945c58902ae8fb488078f3a1433cf7d9 [0,0,0,1,0,0|2,0,1]=4 2448 B8R1.9 CCOCC1CC1C a1ad259ec9fec6cbcfa8781679544c1d [0,0,0,1,0,0|2,0,1]=4 2449 B8R1.9 CCOC[C@@H]1C[C@@H]1C 4ce6bf2d2de734fe8f28315de3f63974 [0,0,0,1,0,0|2,0,1]=4 2450 B8R1.9 CCOC[C@@H]1C[C@@H]1F db758449eba7d2e7e36821e031da9137 [0,0,0,1,0,0|2,0,1]=4 2451 B8R1.9 CCOC[C@@H]1C[C@H]1C f1e8faba0bc503df2acdbd86da05c1cd [0,0,0,1,0,0|2,0,1]=4 2452 B8R1.9 CCOC[C@@H]1C[C@H]1F a4da9189be2096295421277fd4558e25 [0,0,0,1,0,0|2,0,1]=4 2453 B8R1.9 CCOC[C@H]1C[C@@H]1C d0e5d8760a155c6ca9b44bd743e35a53 [0,0,0,1,0,0|2,0,1]=4 2454 B8R1.9 CCOC[C@H]1C[C@@H]1F 5f54e7028448009590800dc65a5252c0 [0,0,0,1,0,0|2,0,1]=4 2455 B8R1.9 CCOC[C@H]1C[C@H]1F a0dc68094174f3a27ca99829c0ae9c07 [0,0,0,1,0,0|2,0,1]=4 2456 B8R1.9 COCNC1CC1C 1f5a0b6a67ea05da3e3d4fd88db9ba21 [0,0,0,1,0,0|3,0,0]=4 2457 B8R1.9 CSCNC1CC1C e4fd3f89886322c39de9fa962cb3d0cb [0,0,0,1,0,0|3,0,0]=4 2458 B8R1.9 C[C@@H]1C[C@H]1COCF 129ba0ab352aefcfce2349cccfe0fa1e [0,0,0,1,0,0|2,0,1]=4 2459 B8R1.9 C[C@H]1C[C@@H]1COCF 308b12cf24ad8c00d69839382d63f20d [0,0,0,1,0,0|2,0,1]=4 2460 B8R1.9 C[C@H]1C[C@H]1COCF 579e56ca8b8650dc1966dcbdfcaad8aa [0,0,0,1,0,0|2,0,1]=4 2461 B8R1.9 O=CCN[C@@H]1C[C@H]1F 1b30ed4a609cd2619bcd787e45fd7f37 [0,0,0,1,0,0|2,0,0]=3 2462 B8R1.9 O=CCN[C@H]1C[C@@H]1F a1495db808f21a1e52da1e1d9590d29a [0,0,0,1,0,0|2,0,0]=3 2463 B8R1.9 O=CCN[C@H]1C[C@H]1F 317579e6fc51976ad113a70571610a12 [0,0,0,1,0,0|2,0,0]=3 2464 B8R1.10 BrCCNC1CCC1 40e6a4ec294e1a7c79a2d09d5945c1e7 [0,0,0,1,0,0|2,0,1]=4 2465 B8R1.10 C#CCCN1CCC1 fdd2534dc24125be5e2b46f1fb6b87c0 [0,0,0,1,0,0|2,0,1]=4 2466 B8R1.10 C#CCNC1CCC1 4f2614b4e030618d0b1ed5c7123c19c2 [0,0,0,1,0,0|2,0,1]=4 2467 B8R1.10 C#CCOC1CCC1 7febfd39799683d94a60ae6d954d808e [0,0,0,1,0,0|2,0,1]=4 2468 B8R1.10 C/C=C/CN1CCC1 3223f5220dc96b13ac05abe2c35190e4 [0,0,0,1,0,0|2,0,1]=4 2469 B8R1.10 C/C=C\CN1CCC1 1b099a10ad3db57dde1957fcedbeddb1 [0,0,0,1,0,0|2,0,1]=4 2470 B8R1.10 C=CCCN1CCC1 90ae1a1b6d98a52229ff5334995e0ff1 [0,0,0,1,0,0|2,0,0]=3 2471 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [0,0,0,1,0,0|2,0,0]=3 2472 B8R1.10 C=CCNC1COC1 71e6907bac04313c632066cdd8a7e800 [0,0,0,1,0,0|3,0,0]=4 2473 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,0,0,1,0,0|2,0,0]=3 2474 B8R1.10 C=CCOC1COC1 2069a7755978e3f7b09e83a42998a20a [0,0,0,1,0,0|3,0,0]=4 2475 B8R1.10 C=CCOC1CSC1 f9945720f7cf937be161007b8184ef93 [0,0,0,1,0,0|3,0,0]=4 2476 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,0,0,1,0,0|2,0,1]=4 2477 B8R1.10 CCCNC1CCC1 0d5b8030ddd2a1e07521f601d888db58 [0,0,0,1,0,0|2,0,1]=4 2478 B8R1.10 CCCNC1COC1 921f8c35ddc25c301dc3c1bb5c0fe6b6 [0,0,0,1,0,0|3,0,0]=4 2479 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [0,0,0,1,0,0|2,0,1]=4 2480 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [0,0,0,1,0,0|3,0,0]=4 2481 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [0,0,0,1,0,0|3,0,0]=4 2482 B8R1.10 CCNCC1CCC1 51789aa8cde681373936f52aa711708a [0,0,0,1,0,0|2,0,1]=4 2483 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,0,0,1,0,0|1,0,2]=4 2484 B8R1.10 CCNCC1COC1 c663ad802a406e195607fd1aba5b3023 [0,0,0,1,0,0|3,0,0]=4 2485 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,0,0,1,0,0|1,0,2]=4 2486 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,0,0,1,0,0|1,0,2]=4 2487 B8R1.10 CCOCC1CCC1 d50b1f59edc7cd2c85ebc568d9e5d0da [0,0,0,1,0,0|2,0,1]=4 2488 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,0,0,1,0,0|1,0,2]=4 2489 B8R1.10 CCOCC1COC1 621a8da02f0fe0ab29cada8705175bfc [0,0,0,1,0,0|3,0,0]=4 2490 B8R1.10 CCOCC1CSC1 e23c247dcc48d2cce0b10a2474f2de8e [0,0,0,1,0,0|3,0,0]=4 2491 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,0,0,1,0,0|1,0,2]=4 2492 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,0,0,1,0,0|1,0,2]=4 2493 B8R1.10 COCCN1CCC1 e94ebefbab355261b351bf6278fb2861 [0,0,0,1,0,0|3,0,0]=4 2494 B8R1.10 COCNC1CCC1 117c4caa9cf90143b3e779bab3a43ebb [0,0,0,1,0,0|3,0,0]=4 2495 B8R1.10 COCOC1CCC1 815d450af25718aa938c6c87b5efb59c [0,0,0,1,0,0|3,0,0]=4 2496 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,0,0,1,0,0|3,0,0]=4 2497 B8R1.10 CSCNC1CCC1 c72115a2c84945505d84748916218b75 [0,0,0,1,0,0|3,0,0]=4 2498 B8R1.10 CSCOC1CCC1 9e9206e1e63ba2bb085e78defc972ddf [0,0,0,1,0,0|3,0,0]=4 2499 B8R1.10 Cl/C=C/CN1CCC1 6dfeb2ef6283d69e525886b982a9ce7b [0,0,0,1,0,0|2,0,1]=4 2500 B8R1.10 Cl/C=C\CN1CCC1 17e178f1e482c995e52120f4d15d2e69 [0,0,0,1,0,0|2,0,1]=4 2501 B8R1.10 FCCCN1CCC1 ce9883ed98348c3043ca281e3aae0921 [0,0,0,1,0,0|2,0,1]=4 2502 B8R1.10 FCCNC1CCC1 6c50c71efa524262d161e2ffe19ec3cd [0,0,0,1,0,0|2,0,1]=4 2503 B8R1.10 FCCOC1CCC1 75a2bd44685d508f7ff51a0a88fb2201 [0,0,0,1,0,0|2,0,1]=4 2504 B8R1.10 FCNCC1CCC1 c3544a1b5d74b5435fdba66fb0047311 [0,0,0,1,0,0|2,0,1]=4 2505 B8R1.10 FCOCC1CCC1 84fe76da6760c3f505ffe7ca74fa4c75 [0,0,0,1,0,0|2,0,1]=4 2506 B8R1.10 ICCNC1CCC1 5d0888592d88c5c69c12e0ffd001bfa9 [0,0,0,1,0,0|2,0,1]=4 2507 B8R1.10 N#CCCN1CCC1 0bb17918bb73fcbc19890110574cfd48 [0,0,0,1,0,0|2,0,1]=4 2508 B8R1.10 N#CCNC1CCC1 a83dd133c4891a6a5d8a7ded83c29995 [0,0,0,1,0,0|2,0,1]=4 2509 B8R1.10 N#CCOC1CCC1 ef29a8f6c4112fa92c5deec942fb94cd [0,0,0,1,0,0|2,0,1]=4 2510 B8R1.10 N#CNCC1CCC1 3fc906270c7c43047f0e8ddb20eb14ab [0,0,0,1,0,0|2,0,1]=4 2511 B8R1.10 O/C=C\CN1CCC1 ceb74e04410e0aa0dd366ad1e3de0674 [0,0,0,1,0,0|1,0,2]=4 2512 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,0,0,1,0,0|1,0,0]=2 2513 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,0,0,1,0,0|1,0,0]=2 2514 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,0,0,1,0,0|2,0,0]=3 2515 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,0,0,1,0,0|1,0,0]=2 2516 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,0,0,1,0,0|2,0,0]=3 2517 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,0,0,1,0,0|2,0,0]=3 2518 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,0,0,1,0,0|1,0,0]=2 2519 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,0,0,1,0,0|2,0,0]=3 2520 B8R1.10 O=CNCC1COC1 d484a9f6109f51ef1467473a4d9493ff [0,0,0,1,0,0|2,0,0]=3 2521 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,0,0,1,0,0|2,0,0]=3 2522 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,0,0,1,0,0|2,0,0]=3 2523 B8R1.10 OCCCN1CCC1 9c6f6bdabd0b2602126e7a24b406e0df [0,0,0,1,0,0|1,0,2]=4 2524 B8R1.10 OCCNC1CCC1 5fc98dae4c4d961193ac3b840bca29d5 [0,0,0,1,0,0|1,0,2]=4 2525 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,0,0,1,0,0|1,0,2]=4 2526 B8R1.10 SCCCN1CCC1 9eb969adee9e410d06ebfdbf71b456b3 [0,0,0,1,0,0|1,1,1]=4 2527 B8R1.10 SCCNC1CCC1 2f562baf7d7b93979ca67ee9013e4780 [0,0,0,1,0,0|1,1,1]=4 2528 B8R1.10 SCCOC1CCC1 1482898a71989edc1d995899e2c14489 [0,0,0,1,0,0|1,1,1]=4 2529 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,0,0,1,0,0|1,0,0]=2 2530 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,0,0,1,0,0|2,0,1]=4 2531 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,0,0,1,0,0|1,0,2]=4 2532 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,0,0,1,0,0|2,0,0]=3 2533 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,0,0,1,0,0|2,0,1]=4 2534 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,0,0,1,0,0|1,0,2]=4 2535 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,0,0,1,0,0|2,0,1]=4 2536 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,0,0,1,0,0|2,0,1]=4 2537 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,0,0,1,0,0|1,0,0]=2 2538 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,0,0,1,0,0|2,0,1]=4 2539 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,0,0,1,0,0|1,0,2]=4 2540 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,0,0,1,0,0|1,0,0]=2 2541 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,0,0,1,0,0|2,0,1]=4 2542 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,0,0,1,0,0|1,0,2]=4 2543 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,0,0,1,0,0|2,0,0]=3 2544 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,0,0,1,0,0|1,0,0]=2 2545 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,0,0,1,0,0|2,0,1]=4 2546 B8R1.12 CCC1CCN1CF 2af23cf7c66aae8dbbf135025a194011 [0,0,0,1,0,0|2,0,1]=4 2547 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,0,0,1,0,0|1,0,2]=4 2548 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,0,0,1,0,0|1,0,2]=4 2549 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,0,0,1,0,0|1,0,2]=4 2550 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,0,0,1,0,0|1,0,2]=4 2551 B8R1.12 O=CN1CCC1CO edd971460a08454ceeb6be017da9f618 [0,0,0,1,0,0|2,0,0]=3 2552 B8R1.12 O=CN1CC[C@@H]1CO ce19f0bce3454d05cb7c121458132ef7 [0,0,0,1,0,0|2,0,0]=3 2553 B8R1.12 O=CN1CC[C@H]1CO e22630134adf9d5eaa8ff5bdd2c4924a [0,0,0,1,0,0|2,0,0]=3 2554 B8R1.13 CC1OCC1NC=O f9b5eeed2f9956371d02a0585d89de6e [0,0,0,1,0,0|2,0,0]=3 2555 B8R1.13 CCNC1CCC1F 1ca365aa3a03dba2f96f4cadc68f780e [0,0,0,1,0,0|2,0,1]=4 2556 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,0,0,1,0,0|1,0,2]=4 2557 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,0,0,1,0,0|1,0,2]=4 2558 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,0,0,1,0,0|2,0,1]=4 2559 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,0,0,1,0,0|1,0,2]=4 2560 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,0,0,1,0,0|1,0,2]=4 2561 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,0,0,1,0,0|2,0,1]=4 2562 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,0,0,1,0,0|1,0,2]=4 2563 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,0,1,0,0|2,0,0]=3 2564 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,0,1,0,0|1,0,0]=2 2565 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,0,0,1,0,0|1,0,0]=2 2566 B8R1.13 C[C@@H]1CC[C@@H]1NCF 6b38eed80c01be6c9debc46a3a554bff [0,0,0,1,0,0|2,0,1]=4 2567 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,0,0,1,0,0|1,0,2]=4 2568 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,0,0,1,0,0|1,0,0]=2 2569 B8R1.13 C[C@@H]1CC[C@H]1NCF 942b8307f34c60e7d4ef1a19714a9740 [0,0,0,1,0,0|2,0,1]=4 2570 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,0,0,1,0,0|1,0,2]=4 2571 B8R1.13 N#CNC1CCC1=O 6fef62f5b6597e2c0a9f8080852ec84e [0,0,0,1,0,0|2,0,1]=4 2572 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,0,0,1,0,0|2,0,0]=3 2573 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,0,0,1,0,0|3,0,0]=4 2574 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,0,0,1,0,0|3,0,0]=4 2575 B8R1.13 O=CNC1CCC1F e99322470d72654c68e8cc3b0db230df [0,0,0,1,0,0|2,0,0]=3 2576 B8R1.13 O=CNC1CCC1O 77e73a0cb4e5ad431641f250066379fd [0,0,0,1,0,0|2,0,0]=3 2577 B8R1.13 O=CN[C@@H]1CC[C@@H]1O 9be330af07ef7a68a61722f62097919e [0,0,0,1,0,0|2,0,0]=3 2578 B8R1.13 O=CN[C@@H]1CC[C@H]1O a74500781f0881ab291899b8727dffc0 [0,0,0,1,0,0|2,0,0]=3 2579 B8R1.13 O=CN[C@H]1CC[C@@H]1O f6c564b97b260290e49358d20aaec1a0 [0,0,0,1,0,0|2,0,0]=3 2580 B8R1.13 O=CN[C@H]1CC[C@H]1O 126bd3309ad6ca2ddfb41ff376dce6e2 [0,0,0,1,0,0|2,0,0]=3 2581 B8R1.17 CCN[C@@H]1C[C@@H]1OC ad259a5443520644deb60f8f52443384 [0,0,0,1,0,0|3,0,0]=4 2582 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,0,0,1,0,0|1,0,2]=4 2583 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,0,0,1,0,0|1,0,2]=4 2584 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,0,0,1,0,0|1,0,2]=4 2585 B8R1.17 CO[C@H]1C[C@H]1NC=O 1b79bd8913fb3b88422ac4c515f2fdfc [0,0,0,1,0,0|2,0,0]=3 2586 B8R1.17 N#CNC1CC1C=O e7a395fa867919643746888c9e72409f [0,0,0,1,0,0|2,0,1]=4 2587 B8R1.17 O=CN[C@@H]1C[C@H]1CO 10a8417564f04103fe2c352e0df4f7b1 [0,0,0,1,0,0|2,0,0]=3 2588 B8R1.17 O=CN[C@H]1C[C@@H]1CO fcec26220579a84c0c9bdf6d03f8b348 [0,0,0,1,0,0|2,0,0]=3 2589 B8R1.17 O=CN[C@H]1C[C@H]1CO ea8cc98580a13b71ee31b79f516fe4f2 [0,0,0,1,0,0|2,0,0]=3 2590 B8R1.36 BrCCNCC1CC1 c331883059e548cf448209226b9934fc [0,0,0,1,0,0|2,0,1]=4 2591 B8R1.36 C#CCCNC1CC1 9fc1afc6cd4c6af1a9f063cb3487a34f [0,0,0,1,0,0|2,0,1]=4 2592 B8R1.36 C#CCCOC1CC1 1b3154f8794dcf0a7b10ee04b450237d [0,0,0,1,0,0|2,0,1]=4 2593 B8R1.36 C#CCNCC1CC1 c22d6438eb28e6b41771819809a78b9a [0,0,0,1,0,0|2,0,1]=4 2594 B8R1.36 C#CCOCC1CC1 848bbe3dfac33794ef11e27f2753e87f [0,0,0,1,0,0|2,0,1]=4 2595 B8R1.36 C/C=C/CNC1CC1 c83efb56352014faa96e25c29ca0561e [0,0,0,1,0,0|2,0,1]=4 2596 B8R1.36 C/C=C/COC1CC1 15aa4560346f34721439e478547bd987 [0,0,0,1,0,0|2,0,1]=4 2597 B8R1.36 C/C=C\CNC1CC1 001e13d1d2d0679fa246964506c4ceda [0,0,0,1,0,0|2,0,1]=4 2598 B8R1.36 C/C=C\COC1CC1 ce7e275d1f68c199d5e8c21d318a8df2 [0,0,0,1,0,0|2,0,1]=4 2599 B8R1.36 C=CCCNC1CC1 b8af55f20970d1f1dc53b7e019b02470 [0,0,0,1,0,0|2,0,0]=3 2600 B8R1.36 C=CCCOC1CC1 622d5e6791ce97e84bbc7a97a3048372 [0,0,0,1,0,0|2,0,0]=3 2601 B8R1.36 C=CCNCC1CC1 d574a4997f534ed53b974c2012f0d8e6 [0,0,0,1,0,0|2,0,0]=3 2602 B8R1.36 C=CCOCC1CC1 f479c640d2485abdcaf0be1cb3ece5ee [0,0,0,1,0,0|2,0,0]=3 2603 B8R1.36 CC=CCNC1CC1 50988c6451e355c31bf55c2693bae416 [0,0,0,1,0,0|2,0,1]=4 2604 B8R1.36 CC=CCOC1CC1 ff60a236632b76c466ad916a6efedd46 [0,0,0,1,0,0|2,0,1]=4 2605 B8R1.36 CCCCNC1CC1 764bf1f8d84e4797d549516a157f8bac [0,0,0,1,0,0|2,0,1]=4 2606 B8R1.36 CCCCOC1CC1 b14c6fcb6c68d146170e866704fcb560 [0,0,0,1,0,0|2,0,1]=4 2607 B8R1.36 CCCNCC1CC1 f3b3545bffc9f73f028676bee3a097f9 [0,0,0,1,0,0|2,0,1]=4 2608 B8R1.36 CCCOCC1CC1 97e988fcebd27b4b9691b615e5b007d8 [0,0,0,1,0,0|2,0,1]=4 2609 B8R1.36 CCNCCC1CC1 c403e5d19efa9bd3bd9474a55fa91f77 [0,0,0,1,0,0|2,0,1]=4 2610 B8R1.36 CCOCCC1CC1 fc916bef9b2390c47f74a3ae85c46af3 [0,0,0,1,0,0|2,0,1]=4 2611 B8R1.36 COCCNC1CC1 c729e1cfce019cc13b46a8e9bfa7aec8 [0,0,0,1,0,0|3,0,0]=4 2612 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [0,0,0,1,0,0|3,0,0]=4 2613 B8R1.36 COCNCC1CC1 1be685a94e635adec61892268334adf0 [0,0,0,1,0,0|3,0,0]=4 2614 B8R1.36 COCOCC1CC1 f15c6edec1bc27e0534666e04c14e6be [0,0,0,1,0,0|3,0,0]=4 2615 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,0,0,1,0,0|3,0,0]=4 2616 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,0,0,1,0,0|3,0,0]=4 2617 B8R1.36 CSCNCC1CC1 e820dcd23892d88756ec200e8c7e2a66 [0,0,0,1,0,0|3,0,0]=4 2618 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [0,0,0,1,0,0|3,0,0]=4 2619 B8R1.36 Cl/C=C/CNC1CC1 b8e71fb72089f0fa4a119ad2c66e08f0 [0,0,0,1,0,0|2,0,1]=4 2620 B8R1.36 Cl/C=C/COC1CC1 6eb7520d3ded741b1531bb59ebb0466c [0,0,0,1,0,0|2,0,1]=4 2621 B8R1.36 Cl/C=C\CNC1CC1 0c3b320ca76d1a4d6c9418b34d6c2838 [0,0,0,1,0,0|2,0,1]=4 2622 B8R1.36 Cl/C=C\COC1CC1 cf8b6534b8e51e9c5b42ad30ebefc2a9 [0,0,0,1,0,0|2,0,1]=4 2623 B8R1.36 ClC=CCOC1CC1 8ce0218ee33db8c1ecb0d74fdde22483 [0,0,0,1,0,0|2,0,1]=4 2624 B8R1.36 ClCCCNC1CC1 fcdebdf08b4bbef8702139d487bccf3c [0,0,0,1,0,0|2,0,1]=4 2625 B8R1.36 FCCCNC1CC1 4329b3a22c74fcf1c83456d06be8011d [0,0,0,1,0,0|2,0,1]=4 2626 B8R1.36 FCCCOC1CC1 bb339c263ecd231d95ac2857b20ce9e1 [0,0,0,1,0,0|2,0,1]=4 2627 B8R1.36 FCCNCC1CC1 1888b06dced729cdb9c58bb39d973ecb [0,0,0,1,0,0|2,0,1]=4 2628 B8R1.36 FCCOCC1CC1 49eef687c32d9587000ea915a92c8879 [0,0,0,1,0,0|2,0,1]=4 2629 B8R1.36 FCNCCC1CC1 25ac1c91045f2fe5fb430e80f7912798 [0,0,0,1,0,0|2,0,1]=4 2630 B8R1.36 FCOCCC1CC1 05e4af345a0e47e30a799f36a5de9ee5 [0,0,0,1,0,0|2,0,1]=4 2631 B8R1.36 ICCNCC1CC1 aa781e34336a301ce6c4ab090308fa1f [0,0,0,1,0,0|2,0,1]=4 2632 B8R1.36 N#CCCNC1CC1 15ddb4a419d17956e14184c509c585c9 [0,0,0,1,0,0|2,0,1]=4 2633 B8R1.36 N#CCCOC1CC1 261d2357c46005219762086f78a80788 [0,0,0,1,0,0|2,0,1]=4 2634 B8R1.36 N#CCNCC1CC1 ea1d56b90feadfd093baae27a3099c80 [0,0,0,1,0,0|2,0,1]=4 2635 B8R1.36 N#CCOCC1CC1 3ad296016f5ea990f81d0a78cc355bfd [0,0,0,1,0,0|2,0,1]=4 2636 B8R1.36 N#CNCCC1CC1 a67fb291654817ea0c1f40b13b038e59 [0,0,0,1,0,0|2,0,1]=4 2637 B8R1.36 NOCCNC1CC1 9f8c2a121e0873d0e9dfff394ed4332a [0,0,0,1,0,0|3,0,0]=4 2638 B8R1.36 O/C=C\CNC1CC1 89145433290f5d59d8cbbbc67a33f3c7 [0,0,0,1,0,0|1,0,2]=4 2639 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,0,0,1,0,0|1,0,0]=2 2640 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,0,0,1,0,0|1,0,0]=2 2641 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [0,0,0,1,0,0|1,0,0]=2 2642 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [0,0,0,1,0,0|1,0,0]=2 2643 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [0,0,0,1,0,0|1,0,0]=2 2644 B8R1.36 O=CNCCN1CC1 188c39e271fc235da7afbcf399854612 [0,0,0,1,0,0|2,0,0]=3 2645 B8R1.36 OCCCNC1CC1 09931d07909b5768c57fdc7cacffbc09 [0,0,0,1,0,0|1,0,2]=4 2646 B8R1.36 OCCNCC1CC1 e183fb3059537384ed4e22fe2e99ba8b [0,0,0,1,0,0|1,0,2]=4 2647 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,0,0,1,0,0|1,0,2]=4 2648 B8R1.36 SCCCNC1CC1 ac16d26ee266b0421f9c1ad8179c0c06 [0,0,0,1,0,0|1,1,1]=4 2649 B8R1.36 SCCCOC1CC1 1939a9925ba22e18c2a17bb309b3e238 [0,0,0,1,0,0|1,1,1]=4 2650 B8R1.36 SCCNCC1CC1 5c0dd7dc74392e335e49dbe45b5c2923 [0,0,0,1,0,0|1,1,1]=4 2651 B8R1.36 SCCOCC1CC1 c7570effdfd289e3b528303f8e11797c [0,0,0,1,0,0|1,1,1]=4 2652 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,0]=3 2653 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,0]=3 2654 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [2,0,0,0,0,0|2,0,0]=4 2655 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,1]=4 2656 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|1,0,0]=3 2657 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|2,0,0]=4 2658 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 2659 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 2660 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 2661 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,1]=4 2662 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,1,0]=4 2663 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|2,0,0]=4 2664 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|1,1,0]=4 2665 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|2,0,0]=4 2666 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [2,0,0,0,0,0|2,0,0]=4 2667 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [2,0,0,0,0,0|2,0,0]=4 2668 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [2,0,0,0,0,0|2,0,0]=4 2669 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|2,0,0]=4 2670 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [2,0,0,0,0,0|2,0,0]=4 2671 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [1,1,0,0,0,0|1,0,1]=4 2672 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,1,0,0,0,0|1,0,1]=4 2673 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,1,0,0,0,0|1,0,1]=4 2674 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,1,0,0,0,0|1,0,1]=4 2675 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [1,1,0,0,0,0|1,0,1]=4 2676 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [1,1,0,0,0,0|1,0,1]=4 2677 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [1,1,0,0,0,0|1,0,1]=4 2678 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [1,1,0,0,0,0|1,0,1]=4 2679 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [1,1,0,0,0,0|1,0,1]=4 2680 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [1,1,0,0,0,0|1,0,1]=4 2681 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [1,1,0,0,0,0|1,0,1]=4 2682 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [1,1,0,0,0,0|1,0,1]=4 2683 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [1,1,0,0,0,0|2,0,0]=4 2685 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [1,1,0,0,0,0|2,0,0]=4 2686 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [1,1,0,0,0,0|2,0,0]=4 2687 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [1,1,0,0,0,0|2,0,0]=4 2688 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [1,1,0,0,0,0|2,0,0]=4 2689 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,1,0,0,0,0|2,0,0]=4 2690 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,1,0,0,0,0|2,0,0]=4 2691 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [1,1,0,0,0,0|2,0,0]=4 2692 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [1,1,0,0,0,0|2,0,0]=4 2693 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [1,1,0,0,0,0|2,0,0]=4 2694 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [1,1,0,0,0,0|2,0,0]=4 2695 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [1,1,0,0,0,0|1,0,0]=3 2696 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [1,1,0,0,0,0|2,0,0]=4 2697 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [1,1,0,0,0,0|1,0,1]=4 2698 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [1,1,0,0,0,0|2,0,0]=4 2699 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|1,0,0]=3 2700 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [1,1,0,0,0,0|2,0,0]=4 2701 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [1,1,0,0,0,0|2,0,0]=4 2702 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [1,1,0,0,0,0|2,0,0]=4 2703 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [1,1,0,0,0,0|1,0,1]=4 2704 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [1,1,0,0,0,0|1,1,0]=4 2705 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|1,0,0]=3 2706 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [1,1,0,0,0,0|2,0,0]=4 2707 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [1,1,0,0,0,0|1,1,0]=4 2708 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [1,1,0,0,0,0|1,0,0]=3 2709 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [1,1,0,0,0,0|2,0,0]=4 2710 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [1,1,0,0,0,0|1,0,1]=4 2711 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,1,0,0,0,0|1,0,0]=3 2712 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [1,1,0,0,0,0|1,0,1]=4 2713 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [1,1,0,0,0,0|2,0,0]=4 2714 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [1,1,0,0,0,0|1,0,1]=4 2715 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [1,1,0,0,0,0|1,0,1]=4 2716 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,1,0,0,0,0|1,0,0]=3 2717 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [1,1,0,0,0,0|1,0,1]=4 2718 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [1,1,0,0,0,0|1,0,1]=4 2719 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [1,1,0,0,0,0|1,0,1]=4 2720 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [1,1,0,0,0,0|1,0,1]=4 2721 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,1,0,0,0,0|1,0,0]=3 2722 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [1,1,0,0,0,0|1,0,1]=4 2723 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [1,1,0,0,0,0|1,0,1]=4 2724 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,1,0,0,0,0|1,0,0]=3 2725 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|1,0,1]=4 2726 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [1,1,0,0,0,0|2,0,0]=4 2727 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,1,0,0,0,0|1,1,0]=4 2728 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|1,0,1]=4 2729 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,1,0,0,0,0|1,0,0]=3 2730 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|1,0,1]=4 2731 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,1,0,0,0,0|1,1,0]=4 2732 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [1,1,0,0,0,0|1,0,0]=3 2733 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [1,1,0,0,0,0|2,0,0]=4 2734 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [1,1,0,0,0,0|1,0,1]=4 2735 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [1,1,0,0,0,0|1,1,0]=4 2736 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [1,1,0,0,0,0|2,0,0]=4 2737 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [1,1,0,0,0,0|1,0,1]=4 2738 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [1,1,0,0,0,0|1,0,1]=4 2739 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [1,1,0,0,0,0|1,0,1]=4 2740 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [1,1,0,0,0,0|1,0,1]=4 2741 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [1,1,0,0,0,0|1,0,1]=4 2742 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [1,1,0,0,0,0|1,0,1]=4 2743 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [1,1,0,0,0,0|1,0,1]=4 2744 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [1,1,0,0,0,0|1,0,1]=4 2745 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [1,1,0,0,0,0|1,0,1]=4 2746 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [1,1,0,0,0,0|1,0,1]=4 2747 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [1,1,0,0,0,0|1,0,1]=4 2748 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [1,1,0,0,0,0|1,0,1]=4 2749 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [1,1,0,0,0,0|2,0,0]=4 2750 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|1,0,1]=4 2751 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [1,1,0,0,0,0|2,0,0]=4 2752 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [1,1,0,0,0,0|1,1,0]=4 2753 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|1,0,1]=4 2754 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|1,0,1]=4 2755 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [1,1,0,0,0,0|2,0,0]=4 2756 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|1,0,0]=3 2757 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [1,1,0,0,0,0|2,0,0]=4 2758 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [1,1,0,0,0,0|1,0,1]=4 2759 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [1,1,0,0,0,0|1,1,0]=4 2760 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|1,0,0]=3 2761 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [1,1,0,0,0,0|2,0,0]=4 2762 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [1,1,0,0,0,0|1,1,0]=4 2763 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [1,1,0,0,0,0|1,0,0]=3 2764 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [1,1,0,0,0,0|2,0,0]=4 2765 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [1,1,0,0,0,0|1,0,1]=4 2766 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [1,1,0,0,0,0|1,0,0]=3 2767 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [1,1,0,0,0,0|2,0,0]=4 2768 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [1,1,0,0,0,0|1,0,1]=4 2769 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [1,1,0,0,0,0|2,0,0]=4 2770 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|1,0,0]=3 2771 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [1,1,0,0,0,0|2,0,0]=4 2772 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [1,1,0,0,0,0|1,0,1]=4 2773 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [1,1,0,0,0,0|1,1,0]=4 2774 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|1,0,0]=3 2775 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [1,1,0,0,0,0|2,0,0]=4 2776 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [1,1,0,0,0,0|1,1,0]=4 2777 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,1,0,0,0,0|2,0,0]=4 2778 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [1,1,0,0,0,0|2,0,0]=4 2779 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [1,1,0,0,0,0|2,0,0]=4 2780 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [1,1,0,0,0,0|2,0,0]=4 2781 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [1,1,0,0,0,0|2,0,0]=4 2782 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [1,1,0,0,0,0|2,0,0]=4 2783 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [1,1,0,0,0,0|2,0,0]=4 2784 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [1,1,0,0,0,0|2,0,0]=4 2785 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [1,1,0,0,0,0|2,0,0]=4 2786 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [1,1,0,0,0,0|2,0,0]=4 2787 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [1,1,0,0,0,0|2,0,0]=4 2788 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [1,1,0,0,0,0|2,0,0]=4 2789 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [1,1,0,0,0,0|2,0,0]=4 2790 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [1,1,0,0,0,0|2,0,0]=4 2791 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,1,0,0,0,0|2,0,0]=4 2792 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,1,0,0,0,0|2,0,0]=4 2793 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [1,1,0,0,0,0|2,0,0]=4 2794 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [1,1,0,0,0,0|2,0,0]=4 2795 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [1,1,0,0,0,0|2,0,0]=4 2796 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [1,1,0,0,0,0|2,0,0]=4 2797 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [1,1,0,0,0,0|2,0,0]=4 2798 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [1,1,0,0,0,0|2,0,0]=4 2799 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [1,1,0,0,0,0|2,0,0]=4 2800 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [1,1,0,0,0,0|2,0,0]=4 2801 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [1,1,0,0,0,0|2,0,0]=4 2802 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [1,1,0,0,0,0|2,0,0]=4 2803 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,1,0,0,0,0|1,0,1]=4 2804 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,1,0,0,0,0|1,0,1]=4 2805 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,1,0,0,0,0|1,0,1]=4 2806 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [1,1,0,0,0,0|1,0,1]=4 2807 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|1,0,1]=4 2808 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|1,0,1]=4 2809 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [1,1,0,0,0,0|1,0,1]=4 2810 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,1,0,0,0,0|1,0,1]=4 2811 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|1,0,1]=4 2813 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,1,0,0,0,0|1,0,1]=4 2814 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,1,0,0,0,0|1,0,1]=4 2815 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,1,0,0,0,0|1,0,1]=4 2816 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,1,0,0,0,0|1,0,1]=4 2817 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,1,0,0,0,0|1,0,1]=4 2818 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [1,1,0,0,0,0|1,0,1]=4 2819 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [1,1,0,0,0,0|1,0,1]=4 2820 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [1,1,0,0,0,0|1,0,1]=4 2821 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [1,1,0,0,0,0|1,0,1]=4 2822 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [1,1,0,0,0,0|1,0,1]=4 2823 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [1,1,0,0,0,0|1,0,1]=4 2824 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [1,1,0,0,0,0|1,0,1]=4 2825 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [1,1,0,0,0,0|1,0,1]=4 2826 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [1,1,0,0,0,0|1,0,1]=4 2827 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [1,1,0,0,0,0|1,0,1]=4 2828 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [1,1,0,0,0,0|1,0,1]=4 2829 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|2,0,0]=4 2830 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|2,0,0]=4 2832 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|2,0,0]=4 2833 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|2,0,0]=4 2834 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|1,0,1]=4 2835 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|2,0,0]=4 2836 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|2,0,0]=4 2837 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|2,0,0]=4 2838 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|2,0,0]=4 2839 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [1,1,0,0,0,0|1,0,0]=3 2840 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [1,1,0,0,0,0|2,0,0]=4 2841 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [1,1,0,0,0,0|1,0,1]=4 2842 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [1,1,0,0,0,0|2,0,0]=4 2843 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,1,0,0,0,0|1,0,0]=3 2844 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [1,1,0,0,0,0|2,0,0]=4 2845 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [1,1,0,0,0,0|2,0,0]=4 2846 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [1,1,0,0,0,0|2,0,0]=4 2847 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [1,1,0,0,0,0|1,0,1]=4 2848 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [1,1,0,0,0,0|1,1,0]=4 2849 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,1,0,0,0,0|1,0,0]=3 2850 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [1,1,0,0,0,0|2,0,0]=4 2851 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [1,1,0,0,0,0|1,1,0]=4 2852 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [1,1,0,0,0,0|2,0,0]=4 2853 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [1,1,0,0,0,0|1,0,1]=4 2854 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,1,0,0,0,0|1,0,0]=3 2855 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [1,1,0,0,0,0|2,0,0]=4 2856 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [1,1,0,0,0,0|1,1,0]=4 2857 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [1,1,0,0,0,0|1,0,0]=3 2858 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [1,1,0,0,0,0|2,0,0]=4 2859 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [1,1,0,0,0,0|1,1,0]=4 2860 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [1,1,0,0,0,0|1,0,0]=3 2861 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [1,1,0,0,0,0|2,0,0]=4 2862 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [1,1,0,0,0,0|1,0,1]=4 2863 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [1,1,0,0,0,0|1,0,0]=3 2864 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [1,1,0,0,0,0|2,0,0]=4 2865 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [1,1,0,0,0,0|2,0,0]=4 2866 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [1,1,0,0,0,0|2,0,0]=4 2867 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [1,1,0,0,0,0|1,1,0]=4 2869 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [1,1,0,0,0,0|1,0,0]=3 2870 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [1,1,0,0,0,0|2,0,0]=4 2871 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [1,1,0,0,0,0|1,1,0]=4 2872 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,0]=3 2873 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,1,0,0,0,0|1,0,1]=4 2874 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|1,0,1]=4 2875 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,0]=3 2876 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|1,0,0]=3 2877 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|1,0,0]=3 2878 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [1,1,0,0,0,0|1,0,1]=4 2879 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,1,0,0,0,0|1,0,1]=4 2880 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [1,1,0,0,0,0|2,0,0]=4 2881 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,1,0,0,0,0|1,0,1]=4 2882 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,1,0,0,0,0|1,0,1]=4 2883 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [1,1,0,0,0,0|2,0,0]=4 2884 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|1,0,0]=3 2885 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|1,0,0]=3 2886 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|1,0,0]=3 2887 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [1,1,0,0,0,0|1,1,0]=4 2888 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,1,0,0,0,0|1,0,1]=4 2889 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [1,1,0,0,0,0|1,0,1]=4 2890 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,1,0,0,0,0|1,0,1]=4 2891 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [1,1,0,0,0,0|2,0,0]=4 2892 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|2,0,0]=4 2893 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [1,1,0,0,0,0|1,0,1]=4 2894 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [1,1,0,0,0,0|1,0,1]=4 2895 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [1,1,0,0,0,0|2,0,0]=4 2896 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|1,0,0]=3 2897 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|1,0,0]=3 2898 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [1,1,0,0,0,0|1,1,0]=4 2899 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,1,0,0,0,0|1,0,1]=4 2900 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|1,0,1]=4 2901 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [1,1,0,0,0,0|2,0,0]=4 2902 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [1,1,0,0,0,0|2,0,0]=4 2903 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|2,0,0]=4 2904 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|1,0,1]=4 2905 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|1,0,1]=4 2906 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|1,0,0]=3 2907 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,0]=3 2908 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|1,0,0]=3 2909 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,1]=4 2910 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [1,1,0,0,0,0|2,0,0]=4 2911 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|2,0,0]=4 2912 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [1,1,0,0,0,0|2,0,0]=4 2913 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|2,0,0]=4 2914 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [1,1,0,0,0,0|2,0,0]=4 2915 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [1,1,0,0,0,0|2,0,0]=4 2916 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|2,0,0]=4 2917 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|2,0,0]=4 2918 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|2,0,0]=4 2919 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|2,0,0]=4 2920 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|2,0,0]=4 2921 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|2,0,0]=4 2922 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|2,0,0]=4 2923 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [1,1,0,0,0,0|2,0,0]=4 2924 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|2,0,0]=4 2925 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|2,0,0]=4 2926 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|2,0,0]=4 2927 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|2,0,0]=4 2928 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|2,0,0]=4 2929 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|2,0,0]=4 2930 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|2,0,0]=4 2931 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [1,1,0,0,0,0|1,0,0]=3 2932 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [1,1,0,0,0,0|2,0,0]=4 2933 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [1,1,0,0,0,0|1,1,0]=4 2934 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [1,1,0,0,0,0|1,0,0]=3 2935 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [1,1,0,0,0,0|2,0,0]=4 2936 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [1,1,0,0,0,0|1,0,1]=4 2937 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [1,1,0,0,0,0|1,0,0]=3 2938 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [1,1,0,0,0,0|2,0,0]=4 2939 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [1,1,0,0,0,0|2,0,0]=4 2940 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [1,1,0,0,0,0|2,0,0]=4 2941 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [1,1,0,0,0,0|1,0,1]=4 2942 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [1,1,0,0,0,0|1,1,0]=4 2943 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [1,1,0,0,0,0|1,0,0]=3 2944 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [1,1,0,0,0,0|2,0,0]=4 2945 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [1,1,0,0,0,0|1,1,0]=4 2946 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [1,1,0,0,0,0|1,0,0]=3 2947 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [1,1,0,0,0,0|2,0,0]=4 2948 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [1,1,0,0,0,0|1,0,1]=4 2949 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [1,1,0,0,0,0|1,0,0]=3 2950 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [1,1,0,0,0,0|2,0,0]=4 2951 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [1,1,0,0,0,0|2,0,0]=4 2952 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [1,1,0,0,0,0|2,0,0]=4 2953 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [1,1,0,0,0,0|1,0,1]=4 2954 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [1,1,0,0,0,0|1,1,0]=4 2955 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [1,1,0,0,0,0|2,0,0]=4 2956 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [1,1,0,0,0,0|2,0,0]=4 2957 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [1,1,0,0,0,0|2,0,0]=4 2958 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [1,1,0,0,0,0|2,0,0]=4 2959 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [1,1,0,0,0,0|2,0,0]=4 2960 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [1,1,0,0,0,0|2,0,0]=4 2961 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,1,0,0,0,0|2,0,0]=4 2962 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,1,0,0,0,0|2,0,0]=4 2963 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [1,1,0,0,0,0|2,0,0]=4 2964 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [1,1,0,0,0,0|2,0,0]=4 2965 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|2,0,0]=4 2966 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|2,0,0]=4 2967 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|2,0,0]=4 2968 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|2,0,0]=4 2969 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|2,0,0]=4 2970 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|2,0,0]=4 2971 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|2,0,0]=4 2972 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|2,0,0]=4 2973 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|2,0,0]=4 2974 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|2,0,0]=4 2975 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [1,1,0,0,0,0|2,0,0]=4 2976 B7R0.4 O=CCOCC(F)F e1093cd74239d1a778019e251c691d5f [1,1,0,0,0,0|2,0,0]=4 2977 B7R0.4 O=CNCCC(F)F 877595b7c20a3f088e215ffd3de33ece [1,1,0,0,0,0|2,0,0]=4 2978 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [1,1,0,0,0,0|1,0,1]=4 2979 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [1,1,0,0,0,0|1,0,1]=4 2980 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [1,1,0,0,0,0|1,0,1]=4 2981 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [1,1,0,0,0,0|1,0,1]=4 2982 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [1,1,0,0,0,0|2,0,0]=4 2983 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [1,1,0,0,0,0|1,0,0]=3 2984 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [1,1,0,0,0,0|1,0,1]=4 2985 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [1,1,0,0,0,0|2,0,0]=4 2986 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [1,1,0,0,0,0|1,0,1]=4 2987 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|1,0,1]=4 2988 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [1,1,0,0,0,0|2,0,0]=4 2989 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [1,1,0,0,0,0|1,0,0]=3 2990 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [1,1,0,0,0,0|1,0,1]=4 2991 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [1,1,0,0,0,0|2,0,0]=4 2992 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [1,1,0,0,0,0|1,0,1]=4 2993 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [1,1,0,0,0,0|1,1,0]=4 2994 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|1,0,1]=4 2995 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [1,1,0,0,0,0|2,0,0]=4 2996 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [1,1,0,0,0,0|1,0,0]=3 2997 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [1,1,0,0,0,0|1,0,1]=4 2998 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [1,1,0,0,0,0|2,0,0]=4 2999 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [1,1,0,0,0,0|1,0,1]=4 3000 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|1,0,1]=4 3001 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [1,1,0,0,0,0|2,0,0]=4 3002 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [1,1,0,0,0,0|1,0,1]=4 3003 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [1,1,0,0,0,0|1,0,1]=4 3004 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [1,1,0,0,0,0|1,0,1]=4 3005 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [1,1,0,0,0,0|2,0,0]=4 3006 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [1,1,0,0,0,0|2,0,0]=4 3007 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [1,1,0,0,0,0|2,0,0]=4 3008 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [1,1,0,0,0,0|2,0,0]=4 3009 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [1,1,0,0,0,0|2,0,0]=4 3010 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [1,1,0,0,0,0|2,0,0]=4 3011 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [1,1,0,0,0,0|2,0,0]=4 3012 B9R0.4 C=C(Br)CN(C)CCCC d387c6d70ee05f7f2e51275df63961c7 [0,2,0,0,0,0|2,0,0]=4 3013 B9R0.4 C=C(C)CN(C)CCCC 9041dbfba46283bf0f85afa52d40257f [0,2,0,0,0,0|2,0,0]=4 3014 B9R0.4 C=C(Cl)CN(C)CCCC 13750ccd1ae220cfefe37f307ba7ce5c [0,2,0,0,0,0|2,0,0]=4 3015 B9R0.4 C=CCCC(C)OC(C)C 79916ed4f09ee854093d48b4590678c5 [0,2,0,0,0,0|2,0,0]=4 3016 B9R0.4 C=CCCN(C)CC(C)C 41a02b1122f50183645e90be7c5e0efa [0,2,0,0,0,0|2,0,0]=4 3017 B9R0.4 C=CCCN(C)CC(C)O 3a1dbab0c1541dab83e7b2f99541468a [0,2,0,0,0,0|2,0,0]=4 3018 B9R0.4 C=CCCN(C)C[C@@H](C)O fb1339ab021220d29229f023fde32561 [0,2,0,0,0,0|2,0,0]=4 3019 B9R0.4 C=CCCN(C)C[C@H](C)O 524941964da99664ae6270220fb060f7 [0,2,0,0,0,0|2,0,0]=4 3020 B9R0.4 C=CCC[C@@H](C)OC(C)C cedb878ff04806ab16e3c7839de7b39e [0,2,0,0,0,0|2,0,0]=4 3021 B9R0.4 C=CCNC(C)CC(C)C b1fa07c030b3eaa58ed718513ebbd267 [0,2,0,0,0,0|2,0,0]=4 3022 B9R0.4 C=CCNC(C)CC(C)O ace766ca8f8fc3f0441f8f1a7e5b1525 [0,2,0,0,0,0|2,0,0]=4 3023 B9R0.4 C=CCOC(C)CC(C)C 6172fc7bebb88cfe7191de7dabc82710 [0,2,0,0,0,0|2,0,0]=4 3024 B9R0.4 C=CCO[C@@H](C)CC(C)C cb591aeccfc1c7ee2eecb9d61dfdb956 [0,2,0,0,0,0|2,0,0]=4 3025 B9R0.4 C=CCO[C@H](C)CC(C)C 66e79c01c2faecc260e2fb8690a313cb [0,2,0,0,0,0|2,0,0]=4 3026 B9R0.4 CC(=O)NC(C)CCCO a409476001ef0aff88161eb86bbe5db4 [0,2,0,0,0,0|2,0,0]=4 3027 B9R0.4 CC(=O)N[C@H](C)CCCO 9a046063324b070dedfa3d3739745edc [0,2,0,0,0,0|2,0,0]=4 3028 B9R0.4 CC(C)CC(C)NCC=O e9a9d72130cb82e537f09257f1a27daa [0,2,0,0,0,0|1,0,0]=3 3029 B9R0.4 CC(C)CC(C)OCC=O e4313446b456bdf7fdca0b7a0d643086 [0,2,0,0,0,0|1,0,0]=3 3030 B9R0.4 CC(C)CC(O)CNC=O 5cb60094dc81ffeecc9f7dda1bb44cab [0,2,0,0,0,0|1,0,0]=3 3031 B9R0.4 CC(C)CN(C)CCC=O 892666ec4de14c48a146ea8823876473 [0,2,0,0,0,0|1,0,0]=3 3032 B9R0.4 CC(C)C[C@@H](C)OCC=O 86fba79e755fb79840211bcef0d1d91f [0,2,0,0,0,0|1,0,0]=3 3033 B9R0.4 CC(C)C[C@H](C)OCC=O 1eaa0d6f3cf9bdd58393fd612436cf93 [0,2,0,0,0,0|1,0,0]=3 3034 B9R0.4 CC(CC(=O)N)OCCF 33c76992ff5934781e3515f9fc43f0ec [0,2,0,0,0,0|2,0,0]=4 3035 B9R0.4 CC(CC(=O)N)OCCS b93b22eba38e053f131c509a795ffec2 [0,2,0,0,0,0|2,0,0]=4 3036 B9R0.4 CC(CC(=O)O)NCCBr e7e4b6e2fc1ea75d46b4b42316397fca [0,2,0,0,0,0|2,0,0]=4 3037 B9R0.4 CC(CC(=O)O)NCCF d1685d2be3fcc9d24c11d15d0d1d1325 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.4 CC(CC(=O)O)NCCI 94de66baab7b311efb40a9409058838e [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.4 CC(CC(=O)O)NCCO 363ffb708fc7cb9d3ee89320c343223e [0,2,0,0,0,0|2,0,0]=4 3040 B9R0.4 CC(CC(=O)O)NCCS cdbc52c158398597a14b9e2a91a129d1 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.4 CC(CC(=O)O)OCCF 9f416da46c9c293ab23e60b18d16f471 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.4 CC(CC(=O)O)OCCS 3dd9e26375cdcf4681c093bf5c86e3fc [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.4 CC(CN(C)C)NCC=O 927009b392bdc39e24851d58a811cf89 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.4 CC(CN(C)C)OCC=O e4460790c2283c3c5498e1eb9d8f03bf [0,2,0,0,0,0|2,0,0]=4 3045 B9R0.4 CC(CNC=O)CN(C)C 7f65e3f9b947e1e941114097b86a35b7 [0,2,0,0,0,0|2,0,0]=4 3046 B9R0.4 CC(O)CC(C)NCC=O d67424fd8abad47273ae9efc50e6ca7a [0,2,0,0,0,0|1,0,0]=3 3047 B9R0.4 CC(O)CN(C)CCC=O 5f3b627c2e4c73b4d84c16a775a1af28 [0,2,0,0,0,0|1,0,0]=3 3048 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [0,2,0,0,0,0|1,0,0]=3 3049 B9R0.4 CCCCN(C)CC(=O)N 11a1371995cbb23558bde2849897cd1f [0,2,0,0,0,0|1,0,0]=3 3050 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [0,2,0,0,0,0|1,0,0]=3 3051 B9R0.4 CCCCN(C)C[N+](=O)[O-] 15bc4247075163550463ccc97238b34f [0,2,0,0,0,0|2,0,0]=4 3052 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [0,2,0,0,0,0|1,0,0]=3 3053 B9R0.4 CCCNC(=O)CC(=O)C 3d765e0f91c6d37be151ce60eea0bf0d [0,2,0,0,0,0|1,0,1]=4 3054 B9R0.4 CCCNC(=O)CC(=O)N 4059559630988efa01804c5ea211f439 [0,2,0,0,0,0|1,0,1]=4 3055 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [0,2,0,0,0,0|1,0,0]=3 3056 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,2,0,0,0,0|2,0,0]=4 3057 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.4 CCCOC(C)CC(=O)N 7cf4be07e7dc937d6ecb8463967854c0 [0,2,0,0,0,0|1,0,0]=3 3060 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [0,2,0,0,0,0|1,0,0]=3 3061 B9R0.4 CCCOC(C)C[N+](=O)[O-] ad8354c1f5266ca94ef2b943016280b5 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,2,0,0,0,0|2,0,0]=4 3063 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.4 CCNCC(O)CC(=O)O 02bb2a3b8bce33db43c21894720f909a [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.4 CCNC[C@@H](O)CC(=O)O 54b4ddf2085c3305103a3bf1339d420e [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.4 CCNC[C@H](O)CC(=O)O 4584b045ec61df30c14bf052bebdc4b7 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.4 CCOCC(C)NC(=O)C 891e676bd6e096c9e78b579a4d42a446 [0,2,0,0,0,0|2,0,0]=4 3069 B9R0.4 CCOCN(C)CC(=O)N 3f2fa03280875450069a7ca45bb5a142 [0,2,0,0,0,0|2,0,0]=4 3070 B9R0.4 CCOCN(C)CC(=O)O 4256c877b9befd6c7672b731e0ef19d3 [0,2,0,0,0,0|2,0,0]=4 3071 B9R0.4 CCOC[C@@H](C)NC(=O)C 82a9a914977322c59ad71ebab295e094 [0,2,0,0,0,0|2,0,0]=4 3072 B9R0.4 CN(C)CC(O)CNC=O 539d3338d758903c1957f2a4e7cb6efe [0,2,0,0,0,0|2,0,0]=4 3073 B9R0.4 CN(CCC=O)CC(F)F def977d4b77574872106e24a8dfeef66 [0,2,0,0,0,0|2,0,0]=4 3074 B9R0.4 CN(CCCF)CC(=O)N 1f272e5a874222b3e12c264d3c0393df [0,2,0,0,0,0|2,0,0]=4 3075 B9R0.4 CN(CCCF)CC(=O)O daae18585a4edad046d8e7cf5857ea62 [0,2,0,0,0,0|2,0,0]=4 3076 B9R0.4 CN(CCCO)CC(=O)N 2cf8473631d181ba7fe335e6287fbf91 [0,2,0,0,0,0|2,0,0]=4 3077 B9R0.4 CN(CCCO)CC(=O)O 92663a30e18fe103a2042493da2adef9 [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.4 CN(CCCS)CC(=O)N de9d018ded98578e94220b2608394c9d [0,2,0,0,0,0|2,0,0]=4 3079 B9R0.4 CN(CCCS)CC(=O)O e6cefed2a7241559ae7d60ae4a2c5333 [0,2,0,0,0,0|2,0,0]=4 3080 B9R0.4 COCCN(C)CC(=O)N 448db3e3b58a5685e8588e13dc93be67 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.4 COCCN(C)CC(=O)O 3ec55bcb2ffdbac5ba2cd2153b901598 [0,2,0,0,0,0|2,0,0]=4 3082 B9R0.4 COCNC(C)CC(=O)O bdd3c4ac12ec667d560eb5ade66eadf9 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.4 COCN[C@@H](C)CC(=O)O 4b81306ee6db218e1b372a75a0b0c2f0 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.4 COCN[C@H](C)CC(=O)O 818aa4572c41952106f807fa5cf3ab38 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.4 COCOC(C)CC(=O)O e4795a30f6180746c828b10734be8c74 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.4 COCO[C@@H](C)CC(=O)O 49833e6f04b5f2fdf75e458c967a7948 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.4 COCO[C@H](C)CC(=O)O 765396246824776e46490c64897c4638 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.4 CSCCN(C)CC(=O)N 8e2d1a7102cd8411ae44c2d7e50835dd [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.4 CSCCN(C)CC(=O)O 0f0cc55bdca109b4ba7871c4d09278eb [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.4 CSCNC(C)CC(=O)O 4241a9c2ff111280db351016191e8370 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.4 CSCN[C@@H](C)CC(=O)O 726b4fd612fce34bc66b4c1104c65f69 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.4 CSCN[C@H](C)CC(=O)O 93bb6ece58999a9701d836c8d56af5da [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.4 CSCOC(C)CC(=O)N af4c2afd288a15ee14238dc19e02472e [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.4 CSCOC(C)CC(=O)O 8960316d76a52d36cff0632f6a8a6a82 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.4 CSCO[C@@H](C)CC(=O)O 950648eb7385f49e6308659ead0c2a76 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.4 CSCO[C@H](C)CC(=O)O e5cb5d5e67dbe01167902ba3b365c14b [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.4 C[C@@H](CC(=O)O)NCCF 618a0c24e5c55843ce8edb4caec723f0 [0,2,0,0,0,0|2,0,0]=4 3098 B9R0.4 C[C@@H](CC(=O)O)NCCO f1302a077d62282b824321ee35a8059e [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.4 C[C@@H](CC(=O)O)NCCS 5d7d40247ddb99f3d68b90786e69ddbb [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.4 C[C@@H](CC(=O)O)OCCF 5c0f2e4119dfa55ab335c16ab0367197 [0,2,0,0,0,0|2,0,0]=4 3101 B9R0.4 C[C@@H](CC(=O)O)OCCS 95108e5655092fc4113468a510808654 [0,2,0,0,0,0|2,0,0]=4 3102 B9R0.4 C[C@@H](CN(C)C)NCC=O d3b231e5456150a97c344ce802c1ae60 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.4 C[C@@H](CN(C)C)OCC=O c350deac89f9e71e7efb50cf781f940f [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.4 C[C@H](CC(=O)O)NCCF 20751cb9b29a347f4c1a5217e86a8518 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.4 C[C@H](CC(=O)O)NCCO 5a022e1cde4048f3a447d9f460edd75d [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.4 C[C@H](CC(=O)O)NCCS 0e4f4fa60a5012cf1fca3e5091c18f41 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.4 C[C@H](CC(=O)O)OCCF f5b48f7a21ef3e4b18c68d6fc0bb22c6 [0,2,0,0,0,0|2,0,0]=4 3108 B9R0.4 C[C@H](CC(=O)O)OCCS a1e94870d79cddf896a1bd4028514c04 [0,2,0,0,0,0|2,0,0]=4 3109 B9R0.4 C[C@H](CN(C)C)NCC=O 96c97a71b486555e20eb3a2e0948f073 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.4 C[C@H](CN(C)C)OCC=O 84a9864b783ac53ca64a981ddd84c2e8 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.4 C[C@H](O)CN(C)CCC=O 2f5dcc9479294760cc36163e8c4b83e3 [0,2,0,0,0,0|1,0,0]=3 3112 B9R0.4 O=C(O)CC(O)CNCF 9de17aeb8156f9b30eae4a928d55d408 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.4 O=C(O)CC(O)CNCO d51ade6d66756563bbc84453fda67d62 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.4 O=C(O)C[C@@H](O)CNCF e06fd31c8d2997a1f63214946e26a10a [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.4 O=C(O)C[C@@H](O)CNCO aa032d8b3fc8a184994c5d27aeeb5075 [0,2,0,0,0,0|2,0,0]=4 3116 B9R0.4 O=C(O)C[C@H](O)CNCF 8c3349543124a531516a5ca6a55a4ab6 [0,2,0,0,0,0|2,0,0]=4 3117 B9R0.4 O=C(O)C[C@H](O)CNCO 19fadec569eb61b632db1521edc1b9f2 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CCCC(C)CCOCC fe67a7cc659ef52bef19a5dc944a29b6 [0,2,0,0,0,0|1,0,1]=4 3238 B9R0.5 CCCC(C)CCOCF 0cb5a022003d706ff019d67c4e9711a3 [0,2,0,0,0,0|1,0,1]=4 3239 B9R0.5 CCCC(C)CNCC#N 7e0c9f8d96937f753ffd023a879602f2 [0,2,0,0,0,0|1,0,1]=4 3240 B9R0.5 CCCC(C)CNCCBr 01071ba16f06355621fd3117add4bdcf [0,2,0,0,0,0|1,0,1]=4 3241 B9R0.5 CCCC(C)CNCCF 2b1ebded053a72b29aacc5fbdb91ef11 [0,2,0,0,0,0|1,0,1]=4 3242 B9R0.5 CCCC(C)CNCCI c2eecf7a6c507b8f34c9ac92db84b9f1 [0,2,0,0,0,0|1,0,1]=4 3243 B9R0.5 CCCC(C)CNCCO 3bc26c15d8ec8db27660e3919bc41d54 [0,2,0,0,0,0|0,0,2]=4 3244 B9R0.5 CCCC(C)CNCCS 21fb32cdddc06aafdbe4e6a0ef2b72a4 [0,2,0,0,0,0|0,1,1]=4 3245 B9R0.5 CCCC(C)COCC#N 9a948f8e457c6e38ec460d60ecd1db4d [0,2,0,0,0,0|1,0,1]=4 3246 B9R0.5 CCCC(C)COCC=O b4ade1b0aa3eb14511461dd6fdcc445d [0,2,0,0,0,0|0,0,0]=2 3247 B9R0.5 CCCC(C)COCCF 0fdb5fdd82e128b001f494dd13e39f16 [0,2,0,0,0,0|1,0,1]=4 3248 B9R0.5 CCCC(C)COCCS e83ad570b212142794814ecd59dcbff4 [0,2,0,0,0,0|0,1,1]=4 3249 B9R0.5 CCCC(C)COCOC d3dd9a36e79fb4a250cd68aa368301cd [0,2,0,0,0,0|2,0,0]=4 3250 B9R0.5 CCCC(C)COCSC a7cc616252d6cc26a2a77356fd360dd6 [0,2,0,0,0,0|2,0,0]=4 3251 B9R0.5 CCCC(C)NC/C=C/Cl a2bc6360354045d2e6a969334dbe17c9 [0,2,0,0,0,0|1,0,1]=4 3252 B9R0.5 CCCC(C)NC/C=C\Cl a9663d98aaf4594ce20748f8383f24a5 [0,2,0,0,0,0|1,0,1]=4 3253 B9R0.5 CCCC(C)NC/C=C\O c93946b0de8d17c8ad6f99cefa864482 [0,2,0,0,0,0|0,0,2]=4 3254 B9R0.5 CCCC(C)NCCC#N 0f703a5fb2cd1bbfb75d7f6167594f80 [0,2,0,0,0,0|1,0,1]=4 3255 B9R0.5 CCCC(C)NCCC=O 5b5f62290e2d559dfcdedcae1cf5a40f [0,2,0,0,0,0|0,0,0]=2 3256 B9R0.5 CCCC(C)NCCCCl 5700a22c3588a95dd046a2f6ecdd2770 [0,2,0,0,0,0|1,0,1]=4 3257 B9R0.5 CCCC(C)NCCCF d9490460b138502a91541d3935fce6e0 [0,2,0,0,0,0|1,0,1]=4 3258 B9R0.5 CCCC(C)NCCCO f622547af18556e616e7380ad9ee1969 [0,2,0,0,0,0|0,0,2]=4 3259 B9R0.5 CCCC(C)NCCCS 031cf5ec9e793b4ee74fde99b369985a [0,2,0,0,0,0|0,1,1]=4 3260 B9R0.5 CCCC(C)NCCOC b460bfbfdfbe88fc2540edf9ff4fb57d [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.5 CCCC(C)NCCON 9e439af073ac0c5613e7d404e706b036 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.5 CCCC(C)NCCSC 5a102ef2f927e2083554cc79563295b6 [0,2,0,0,0,0|2,0,0]=4 3263 B9R0.5 CCCC(C)OC/C=C/Cl 9b1176057bc3dc0293008b226385b48c [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.5 CCCC(C)OC/C=C\Cl 82d50d25ec2f924793514f13a7905ea5 [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.5 CCCC(C)OCC=CCl 443c97c407ee4b714eecb70fe42a75d7 [0,2,0,0,0,0|1,0,1]=4 3266 B9R0.5 CCCC(C)OCCC#N 19ada0dba3fb050d1348d3566c5c5ca7 [0,2,0,0,0,0|1,0,1]=4 3267 B9R0.5 CCCC(C)OCCC=O 075091b3402d4383d6ae76faf45828e2 [0,2,0,0,0,0|0,0,0]=2 3268 B9R0.5 CCCC(C)OCCCF 4e9747e2d6b2c5386230800523638aa2 [0,2,0,0,0,0|1,0,1]=4 3269 B9R0.5 CCCC(C)OCCCS 31bb2609b5394c7a115342253a9a46b7 [0,2,0,0,0,0|0,1,1]=4 3270 B9R0.5 CCCC(C)OCCOC c2e6ce8981bbd0e5e7a872140ce09c7e [0,2,0,0,0,0|2,0,0]=4 3271 B9R0.5 CCCC(C)OCCSC b02b2d120691841f6ce9a1d734fc587b [0,2,0,0,0,0|2,0,0]=4 3272 B9R0.5 CCCC(O)CNCC#N c5b44ab7e62cedc65a398e7e68c0d018 [0,2,0,0,0,0|1,0,1]=4 3273 B9R0.5 CCCC(O)CNCC=O 0ab60eacd08ef644a7eb6587b3e377fb [0,2,0,0,0,0|0,0,0]=2 3274 B9R0.5 CCCC(O)CNCCF 33eb305c30e0d3a33e85488391ef4a6e [0,2,0,0,0,0|1,0,1]=4 3275 B9R0.5 CCCC(O)CNCCO d1eee4b251f066db3df0bab92085c28a [0,2,0,0,0,0|0,0,2]=4 3276 B9R0.5 CCCC(O)CNCCS 257c398a3803f65dd68e425e96f60bbd [0,2,0,0,0,0|0,1,1]=4 3277 B9R0.5 CCCC(O)CNCOC 8d3a032478901361562bdb0c784d41f7 [0,2,0,0,0,0|2,0,0]=4 3278 B9R0.5 CCCC(O)CNCSC 1f0655575f44cd24c8c35c3d3d273691 [0,2,0,0,0,0|2,0,0]=4 3279 B9R0.5 CCCC(S)CCOCC b7c7a04a4d8fea2f0d1d7d9042f682ae [0,2,0,0,0,0|1,0,1]=4 3280 B9R0.5 CCCC(S)CCOCF 423a759d1757980f60ca4920ff746b04 [0,2,0,0,0,0|1,0,1]=4 3281 B9R0.5 CCCCCC(C)NC#N c46027b8156e7626d110726309106816 [0,2,0,0,0,0|1,0,1]=4 3282 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [0,2,0,0,0,0|0,0,0]=2 3283 B9R0.5 CCCCCC(C)NCC 212b1664d44bb18b1fa24a16f6d72877 [0,2,0,0,0,0|1,0,1]=4 3284 B9R0.5 CCCCCC(C)NCF d3dd3d446c50183840c245863d028fda [0,2,0,0,0,0|1,0,1]=4 3285 B9R0.5 CCCCCC(C)NCO 79997f757bd22c3676dd0e07aa87d23c [0,2,0,0,0,0|0,0,2]=4 3286 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [0,2,0,0,0,0|1,0,1]=4 3287 B9R0.5 CCCCCC(C)OCF 91cb6ddeef5e8a675eb7cdefedcad036 [0,2,0,0,0,0|1,0,1]=4 3288 B9R0.5 CCCCCN(C)CC#N 67a97f639372b19486441ac43811e15d [0,2,0,0,0,0|1,0,1]=4 3289 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [0,2,0,0,0,0|0,0,0]=2 3290 B9R0.5 CCCCCN(C)CCC b853278094c2f82fca4e6dd3977c6a67 [0,2,0,0,0,0|1,0,1]=4 3291 B9R0.5 CCCCCN(C)CCF c929099b696e86ca8a9f711c65c978ae [0,2,0,0,0,0|1,0,1]=4 3292 B9R0.5 CCCCCN(C)CCO 34410e1ec8513358afcc09dffe161858 [0,2,0,0,0,0|0,0,2]=4 3293 B9R0.5 CCCCCN(C)CCS 4f1dccd506465b82e3719d813f1669cf [0,2,0,0,0,0|0,1,1]=4 3294 B9R0.5 CCCCCN(C)COC 962ac7aa69c9adf59a4c23134026ede4 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.5 CCCCCN(C)CSC 538501ec3ee1a432d2305140357b5c2c [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [0,2,0,0,0,0|1,0,1]=4 3297 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [0,2,0,0,0,0|1,0,1]=4 3298 B9R0.5 CCCCC[C@H](C)NC#N 74d944a4637270256c1b1701f57a31b2 [0,2,0,0,0,0|1,0,1]=4 3299 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [0,2,0,0,0,0|0,0,0]=2 3300 B9R0.5 CCCCC[C@H](C)NCC 0e1700ce314a2064321bc997ef4f9348 [0,2,0,0,0,0|1,0,1]=4 3301 B9R0.5 CCCCC[C@H](C)NCF 69aa97aecc0791c0b87af3dfc98d2c2b [0,2,0,0,0,0|1,0,1]=4 3302 B9R0.5 CCCCC[C@H](C)NCO dadd1abcf3546c9c0b9e976ac187033b [0,2,0,0,0,0|0,0,2]=4 3303 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [0,2,0,0,0,0|1,0,1]=4 3304 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [0,2,0,0,0,0|1,0,1]=4 3305 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [0,2,0,0,0,0|0,0,1]=3 3306 B9R0.5 CCCCNC(C)CC#N 1014fcfc8d14e6369119e3e31a241f11 [0,2,0,0,0,0|1,0,1]=4 3307 B9R0.5 CCCCNC(C)CCC 06cd3d4eadb838cea410097bf17bae5e [0,2,0,0,0,0|1,0,1]=4 3308 B9R0.5 CCCCNC(C)CCO 060a7a1335f70c0676cfbb86f416e991 [0,2,0,0,0,0|0,0,2]=4 3309 B9R0.5 CCCCNC(C)COC 8021317d143fe74bc4de849e2a843e02 [0,2,0,0,0,0|2,0,0]=4 3310 B9R0.5 CCCCN[C@@H](C)CCC ab2be22024a2e965b1370aa5fe48dbdb [0,2,0,0,0,0|1,0,1]=4 3311 B9R0.5 CCCCN[C@@H](C)CCO cd3d50136741c2b9579e5ce175e949c5 [0,2,0,0,0,0|0,0,2]=4 3312 B9R0.5 CCCCN[C@@H](C)COC cdbee656892f2d069b5a9f437e42a186 [0,2,0,0,0,0|2,0,0]=4 3313 B9R0.5 CCCCN[C@H](C)CCO fc9bdedfd734c26acec6b6121aa8cb84 [0,2,0,0,0,0|0,0,2]=4 3314 B9R0.5 CCCCN[C@H](C)COC 0bd1a16deaecd7846b5d6903e134942d [0,2,0,0,0,0|2,0,0]=4 3315 B9R0.5 CCCCOC(C)CC#N dc550f349a82116f85657a0d2002a899 [0,2,0,0,0,0|1,0,1]=4 3316 B9R0.5 CCCCOC(C)CCC 92f21439e18e4a0212372a80f0159639 [0,2,0,0,0,0|1,0,1]=4 3317 B9R0.5 CCCCOC(C)COC ba4e551fe4b685878d8e23a8545ffdea [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.5 CCCCOC(C)CSC a8cdef8b35f4519dea5c9afc41578fcb [0,2,0,0,0,0|2,0,0]=4 3319 B9R0.5 CCCCO[C@@H](C)CC#N 15633171214313bdbf0d6219c223b8e1 [0,2,0,0,0,0|1,0,1]=4 3320 B9R0.5 CCCCO[C@@H](C)CCC 5b752837ff25253bec29faef567e59b2 [0,2,0,0,0,0|1,0,1]=4 3321 B9R0.5 CCCCO[C@@H](C)COC fdc2da5dba6e3d0a9e63de45ba95a113 [0,2,0,0,0,0|2,0,0]=4 3322 B9R0.5 CCCCO[C@H](C)CC#N 5b296b139d7187479322571820e88884 [0,2,0,0,0,0|1,0,1]=4 3323 B9R0.5 CCCCO[C@H](C)CCC 5384ca464c5bc70cb67ae7c0e1b63cd2 [0,2,0,0,0,0|1,0,1]=4 3324 B9R0.5 CCCCO[C@H](C)COC 15bbc144a56a666747dad75b1789a610 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.5 CCCN(C)CCCC#N eafd4941368db968d0d9fcbcc47b5762 [0,2,0,0,0,0|1,0,1]=4 3326 B9R0.5 CCCN(C)CCCC=O 733054530e6832de68ab4ede91eabb86 [0,2,0,0,0,0|0,0,0]=2 3327 B9R0.5 CCCN(C)CCCCF e9f7620b25cc1b11cc58a4773b3440d8 [0,2,0,0,0,0|1,0,1]=4 3328 B9R0.5 CCCN(C)CCCCO 3d32b13ab18b3ef9a88401c3421fd62f [0,2,0,0,0,0|0,0,2]=4 3329 B9R0.5 CCCN(C)CCCOC ad2eae02b2bb95cfc8387466db00f5d9 [0,2,0,0,0,0|2,0,0]=4 3330 B9R0.5 CCCN(C)CCCSC f37fcd165281d2dbd151714cacb81d9c [0,2,0,0,0,0|2,0,0]=4 3331 B9R0.5 CCCNCC(C)CCC 54d28908b8e1ac09d7a9108b606f57e0 [0,2,0,0,0,0|1,0,1]=4 3332 B9R0.5 CCCNCC(C)CCO 47e0bbb51b8a79c96dd13c961ecc0dea [0,2,0,0,0,0|0,0,2]=4 3333 B9R0.5 CCCNCC(O)CC#N 4a012df076e5dc5340c3f00cf736cc1d [0,2,0,0,0,0|1,0,1]=4 3334 B9R0.5 CCCNCC(O)CCC 3d957147f5d37c2bce44ac77f80f84a5 [0,2,0,0,0,0|1,0,1]=4 3335 B9R0.5 CCCNCC(O)COC 5f738e26a93bd5e6157dfb0a62e3a620 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.5 CCCNC[C@@H](O)CC#N 31e6dfdd9002d4a802ff2dc4afb38e10 [0,2,0,0,0,0|1,0,1]=4 3337 B9R0.5 CCCNC[C@@H](O)CCO 0911566ceb0cc95fa86b387a531110c6 [0,2,0,0,0,0|0,0,2]=4 3338 B9R0.5 CCCNC[C@H](O)CC#N bf631701a1680262ae383a65f7c5fdd2 [0,2,0,0,0,0|1,0,1]=4 3339 B9R0.5 CCCNC[C@H](O)COC 6fd1326b6f8389bef3955d38e292fd6f [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.5 CCCOCC(C)CCC 991f1db54286263be3e664fb478a931d [0,2,0,0,0,0|1,0,1]=4 3341 B9R0.5 CCCOC[C@@H](O)CCO 8f4ac1d9a59c7be3b1d0e4ed72d56dee [0,2,0,0,0,0|0,0,2]=4 3342 B9R0.5 CCC[C@@H](C)OC/C=C/Cl 9c62cd466f4256598eed6707750ad86e [0,2,0,0,0,0|1,0,1]=4 3343 B9R0.5 CCC[C@@H](C)OC/C=C\Cl ab8c6761881a955c818a124e3e6a09ec [0,2,0,0,0,0|1,0,1]=4 3344 B9R0.5 CCC[C@@H](C)OCCC#N ffcf4d38d3fe60c8a23e82850f279549 [0,2,0,0,0,0|1,0,1]=4 3345 B9R0.5 CCC[C@@H](C)OCCC=O 3bd84e647c49cab84f4c3f78c7f376dd [0,2,0,0,0,0|0,0,0]=2 3346 B9R0.5 CCC[C@@H](C)OCCCF b78bfe38684aeafd56cb91d1a9a8a01b [0,2,0,0,0,0|1,0,1]=4 3347 B9R0.5 CCC[C@@H](C)OCCCS 24372301ed9c92789ef5ed79f335e943 [0,2,0,0,0,0|0,1,1]=4 3348 B9R0.5 CCC[C@@H](C)OCCOC 004b950db0a41fee3b95494fd30abe99 [0,2,0,0,0,0|2,0,0]=4 3349 B9R0.5 CCC[C@@H](C)OCCSC 43e6641b50af016cd80a01869d7ad946 [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.5 CCC[C@H](C)NC/C=C/Cl 6036f80aadf07a80ed4e3d280cafd757 [0,2,0,0,0,0|1,0,1]=4 3351 B9R0.5 CCC[C@H](C)NC/C=C\Cl ea871a6d84f6beb5069ee200221c344f [0,2,0,0,0,0|1,0,1]=4 3352 B9R0.5 CCC[C@H](C)NC/C=C\O 8d52c9d789e30bf7c68d63162492dc07 [0,2,0,0,0,0|0,0,2]=4 3353 B9R0.5 CCC[C@H](C)NCCC#N e51f49cf2856f40bb5d689eddb0efe39 [0,2,0,0,0,0|1,0,1]=4 3354 B9R0.5 CCC[C@H](C)NCCC=O 8965a7a737d28b5a320abc650f4b57db [0,2,0,0,0,0|0,0,0]=2 3355 B9R0.5 CCC[C@H](C)NCCCF 47bc8e90817b8ea1ca2bd6e3b2feb1e7 [0,2,0,0,0,0|1,0,1]=4 3356 B9R0.5 CCC[C@H](C)NCCCO b55f9f9c5d2b5585fcebd32b6ae9676f [0,2,0,0,0,0|0,0,2]=4 3357 B9R0.5 CCC[C@H](C)NCCCS fc4b2888e6bd1af3fc673920439a6d19 [0,2,0,0,0,0|0,1,1]=4 3358 B9R0.5 CCC[C@H](C)NCCOC cf07519eec3d96fa560e863513eb20cb [0,2,0,0,0,0|2,0,0]=4 3359 B9R0.5 CCC[C@H](C)NCCSC b36f1d3a7cec566fb6c4090de96246ad [0,2,0,0,0,0|2,0,0]=4 3360 B9R0.5 CCC[C@H](C)OC/C=C/Cl 268aae28e2e07dc1e0cbb1618cf82c12 [0,2,0,0,0,0|1,0,1]=4 3361 B9R0.5 CCC[C@H](C)OC/C=C\Cl 027fbf088883a2e69419ad8b219a4796 [0,2,0,0,0,0|1,0,1]=4 3362 B9R0.5 CCC[C@H](C)OCCC#N 16635591ace8d8f607160d1235639919 [0,2,0,0,0,0|1,0,1]=4 3363 B9R0.5 CCC[C@H](C)OCCC=O 5603414e98a7234f79a82c4a13052426 [0,2,0,0,0,0|0,0,0]=2 3364 B9R0.5 CCC[C@H](C)OCCCF 6c166b3b2e9a49f3214d1221aa05a7b9 [0,2,0,0,0,0|1,0,1]=4 3365 B9R0.5 CCC[C@H](C)OCCCS 185072ad1451feb386e475848ae0f455 [0,2,0,0,0,0|0,1,1]=4 3366 B9R0.5 CCC[C@H](C)OCCOC 35df3d9129885ef4f47846403feb0737 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.5 CCC[C@H](C)OCCSC 1b7c51f97c66b74c463df2639602e625 [0,2,0,0,0,0|2,0,0]=4 3368 B9R0.5 CCNC(=O)CNCC=O a4d1d48531baf213da9daa6529b2972c [0,2,0,0,0,0|1,0,1]=4 3369 B9R0.5 CCNC(=O)COCC=O 8635cab7d50a45c98d81f169c5cc1c4c [0,2,0,0,0,0|1,0,1]=4 3370 B9R0.5 CCOC(=O)CCNC=O f014a3a016d6b2ab3edecfa8ad9e1400 [0,2,0,0,0,0|1,0,1]=4 3371 B9R0.5 CCOC(=O)CNCC=O 13639f7e3d69faa2001497754bfed8b5 [0,2,0,0,0,0|1,0,1]=4 3372 B9R0.5 CCOC(=O)COCC=O 934135784a2711e60bdbd22faf98fe13 [0,2,0,0,0,0|1,0,1]=4 3373 B9R0.5 CCOC(C)CNCC=O e8032f71289b0514416b8c99734f449c [0,2,0,0,0,0|1,0,0]=3 3374 B9R0.5 CCOC(C)COCC=O 6735ed8d4a4675a4fe4153179dde31c8 [0,2,0,0,0,0|1,0,0]=3 3375 B9R0.5 CCOCCN(C)CC=O 7acec88657f57cb021d93d1cfad83ba5 [0,2,0,0,0,0|1,0,0]=3 3376 B9R0.5 CN(CC#N)CCCC=O 87b777e135b9a47e2f233f86794ce0d8 [0,2,0,0,0,0|1,0,1]=4 3377 B9R0.5 CN(CC=O)CCCCO 837ff6a1ec2106692e579c582051f56a [0,2,0,0,0,0|1,0,0]=3 3378 B9R0.5 CN(CCF)CCCC=O 6bec50a8c71665434b5d54891df7aca2 [0,2,0,0,0,0|1,0,0]=3 3379 B9R0.5 CN(CCO)CCCC=O 618e3514c562728808d02f6c835e3847 [0,2,0,0,0,0|1,0,0]=3 3380 B9R0.5 CN(CCO)CCNC=O a4ff3954aa0988594e10f050c3195680 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.5 COCC(C)COCC=O 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C=CCOC(C)C(C)CC 497cc3ca82ab66597318538d46ffa3eb [0,2,0,0,0,0|2,0,0]=4 3406 B9R0.8 C=C[C@@H](C)[C@@H](C)OCCC 827ec7cab90f31f3afa0ea32ccf45fce [0,2,0,0,0,0|2,0,0]=4 3407 B9R0.8 C=C[C@@H](C)[C@H](C)OCCC 26696a0db2f6d81cc3e01eed135a2816 [0,2,0,0,0,0|2,0,0]=4 3408 B9R0.8 C=C[C@H](C)[C@@H](C)OCCC c48af0bd466e4283e2735227c964c011 [0,2,0,0,0,0|2,0,0]=4 3409 B9R0.8 C=C[C@H](C)[C@H](C)OCCC 636f3ee10897e8ce8a9a125b741cdfa4 [0,2,0,0,0,0|2,0,0]=4 3410 B9R0.8 CC(C=O)N(C)CCCO 41a58c54ef5d3f55c716b90d1246f936 [0,2,0,0,0,0|2,0,0]=4 3411 B9R0.8 CC(CO)N(C)CCC=O fb9e09c7dc4f12962eece504b8bf76ca [0,2,0,0,0,0|2,0,0]=4 3412 B9R0.8 CCC(C)C(C)NCC=O 5a7d7632b6c97dbd54de630e5149d88c [0,2,0,0,0,0|1,0,0]=3 3413 B9R0.8 CCC(C)C(C)OCC=O 3a318650f80c7b6ed32ae99d31926896 [0,2,0,0,0,0|1,0,0]=3 3414 B9R0.8 CCC(C)N(C)CCC=O d8440a197a44af3f9a6660862adcb39d [0,2,0,0,0,0|1,0,0]=3 3415 B9R0.8 CCCCN(C)C(=O)C=O ed88baf3777d406fb62edc639f2ad7fc [0,2,0,0,0,0|1,0,1]=4 3416 B9R0.8 CCCCN(C)C(C)C=O 3e234b787b915a4fa23d538586656631 [0,2,0,0,0,0|1,0,0]=3 3417 B9R0.8 CCCCN(C)[C@H](C)C=O 5a3e8452b96b13acaa984c292628b701 [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.8 CCN(C)C(=O)CCC=O 9a5a1e8c15cee0396b7a79a3aa71a7d9 [0,2,0,0,0,0|1,0,1]=4 3419 B9R0.8 COC(C)C(C)OCC=O 9b0f5da3aee16596549ee3b1bb71db45 [0,2,0,0,0,0|2,0,0]=4 3420 B9R0.8 COCCN(C)C(C)C=O 86aea58d5fc81f4cbf9abec0c1ecf6ae [0,2,0,0,0,0|2,0,0]=4 3421 B9R0.8 COCCN(C)[C@H](C)C=O b9c4197c44646d7604718041d5a3a750 [0,2,0,0,0,0|2,0,0]=4 3422 B9R0.8 CSCCN(C)C(C)C=O 71742bc8e2f855d36b61291eed294025 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.8 CSCCN(C)[C@H](C)C=O dc706961812fa686689d79b1cc2e52d1 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.8 C[C@@H](CO)N(C)CCC=O 8ebc77df0826e761dfc759764c9e818c [0,2,0,0,0,0|2,0,0]=4 3425 B9R0.8 C[C@H](C=O)N(C)CCCO 51c76565185e71f3ff0e68370b5db67c [0,2,0,0,0,0|2,0,0]=4 3426 B9R0.8 C[C@H](CO)N(C)CCC=O cebe9247a51e36831af367dbea96cb08 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.18 C#CCCN(C)CCC=O 11d6779226f782892ef5a814cc1c21e5 [0,2,0,0,0,0|0,0,2]=4 3428 B9R0.18 C#CCCN(C)CCCC 70842e8d5993167f7b885e629bf5c1a8 [0,2,0,0,0,0|1,0,1]=4 3429 B9R0.18 C#CCNC(C)CCCC 0aba1d752dbe021edeb908e9411e48b0 [0,2,0,0,0,0|1,0,1]=4 3430 B9R0.18 C#CCN[C@H](C)CCCC 64abb469b83d2e0c790a3514118458cb [0,2,0,0,0,0|1,0,1]=4 3431 B9R0.18 C#CCOC(C)CCCC a6bf8a2fbde7f7937d084a3ce3f21abb [0,2,0,0,0,0|1,0,1]=4 3432 B9R0.18 C#CCO[C@@H](C)CCCC d36d8187ba9fe99db945c7ac19c589a4 [0,2,0,0,0,0|1,0,1]=4 3433 B9R0.18 C#CCO[C@H](C)CCCC 4f5dddefc5ccbd74a979c1cd0f8b39d1 [0,2,0,0,0,0|1,0,1]=4 3434 B9R0.18 C/C=C/CN(C)CCCC f48d7a8209cf67e66dd6ec12f26024a0 [0,2,0,0,0,0|1,0,1]=4 3435 B9R0.18 C/C=C\CN(C)CCCC 5b2aaea0ca5c3bdc90e6459a5af09b94 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.18 C=CCCC(=O)NCCC 9f74062b96148fe9af5f57a314993165 [0,2,0,0,0,0|1,0,1]=4 3437 B9R0.18 C=CCCC(C)NCCBr cd0be07d03d0eddd88ec29d66eef31c7 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.18 C=CCCC(C)NCCC 240e8313686bab03145fdf8e05a079de [0,2,0,0,0,0|1,0,0]=3 3439 B9R0.18 C=CCCC(C)NCCF 85dc4c0810a44ec2ff33805d4080a14d [0,2,0,0,0,0|2,0,0]=4 3440 B9R0.18 C=CCCC(C)NCCI 500861268839a0cc84261ebf2593031c [0,2,0,0,0,0|2,0,0]=4 3441 B9R0.18 C=CCCC(C)NCCO 1068fbbc6f266a16412f558507a0445a [0,2,0,0,0,0|2,0,0]=4 3442 B9R0.18 C=CCCC(C)NCCS 5b9cc9354ab7a6b1e6f0bb81746fcd72 [0,2,0,0,0,0|2,0,0]=4 3443 B9R0.18 C=CCCC(C)OCC=O 245abb6264f9567ca70639c760a12645 [0,2,0,0,0,0|0,0,2]=4 3444 B9R0.18 C=CCCC(C)OCCC 7912a5c88e116a41f225a0605d7ee9b9 [0,2,0,0,0,0|1,0,0]=3 3445 B9R0.18 C=CCCC(C)OCCF d40762fdc5fe3a946ea5c475b0560edc [0,2,0,0,0,0|2,0,0]=4 3446 B9R0.18 C=CCCC(C)OCCS 53c5b6de0e84db80c1ff436e93f06ef9 [0,2,0,0,0,0|2,0,0]=4 3447 B9R0.18 C=CCCC(C)OCOC 872f3eda6806d3c62956d011d3418121 [0,2,0,0,0,0|2,0,0]=4 3448 B9R0.18 C=CCCC(C)OCSC d7f2ef1035ac594534d0fc8be82fc939 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.18 C=CCCC(O)CNC=O 12cb42a472946e5c98999fd7d1ffff4a [0,2,0,0,0,0|0,0,2]=4 3450 B9R0.18 C=CCCC(O)CNCC 5526933c2601f900d214598338a32d02 [0,2,0,0,0,0|1,0,0]=3 3451 B9R0.18 C=CCCC(O)CNCF 359ec95a41d20e7cf02f4d4e50380da5 [0,2,0,0,0,0|2,0,0]=4 3452 B9R0.18 C=CCCC(O)CNCO 57e12286950387b41093adc2b27f257d [0,2,0,0,0,0|2,0,0]=4 3453 B9R0.18 C=CCCN(C)CCC=O 38d6988c0ad5455737f7f9adde144ca8 [0,2,0,0,0,0|0,0,2]=4 3454 B9R0.18 C=CCCN(C)CCCC 982bda51df0f37fb4c6a42577f4401e6 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.18 C=CCCN(C)CCCF 4ccf7e1e7a005920a1f935bf969d7982 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.18 C=CCCN(C)CCCO aeba8554ff2f572f02c06efee49c0649 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.18 C=CCCN(C)CCCS 7eca992857df3f27c18befa745a0ceb9 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.18 C=CCCN(C)CCOC 26b2207c15c83b15968acb06f17b6a22 [0,2,0,0,0,0|2,0,0]=4 3459 B9R0.18 C=CCCN(C)CCSC 9ef1cae6bf034255885b8713651133ec [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.18 C=CCCN(C)COCC a5072564f188e3ce953f371800314693 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.18 C=CCC[C@@H](C)OCC=O e49696fb124602a3eb80822ba9f553f3 [0,2,0,0,0,0|0,0,2]=4 3462 B9R0.18 C=CCC[C@@H](C)OCCC 99173135eb582288011948d677068cc8 [0,2,0,0,0,0|1,0,0]=3 3463 B9R0.18 C=CCC[C@@H](C)OCCF 560eb4b3ba4d4d9219b20aff2deec573 [0,2,0,0,0,0|2,0,0]=4 3464 B9R0.18 C=CCC[C@@H](C)OCCS 279829f970a885c455a83c8e56bedc9f [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.18 C=CCC[C@@H](C)OCOC 430f12bbaa69f590d2741f158e7a726b [0,2,0,0,0,0|2,0,0]=4 3466 B9R0.18 C=CCC[C@@H](C)OCSC 048654ab127b12b9c39237da27460ebf [0,2,0,0,0,0|2,0,0]=4 3467 B9R0.18 C=CCNC(C)CCCC b7e84b71e08b90f5001bff3ed3e79daa [0,2,0,0,0,0|1,0,0]=3 3468 B9R0.18 C=CCNC(C)CCCO 708d41a65dba7c4615deafb9d5341a7d [0,2,0,0,0,0|2,0,0]=4 3469 B9R0.18 C=CCN[C@H](C)CCCC 717efbfcef1985e4262e18519df5cea0 [0,2,0,0,0,0|1,0,0]=3 3470 B9R0.18 C=CCN[C@H](C)CCCO d994173be9c5d24d1f01c061cdf7d36f [0,2,0,0,0,0|2,0,0]=4 3471 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [0,2,0,0,0,0|1,0,0]=3 3472 B9R0.18 C=CCOC(C)CCOC f3c795786c7022d726115bd3f9ed9fd7 [0,2,0,0,0,0|2,0,0]=4 3473 B9R0.18 C=CCOC(C)CCSC c718e5cdece70b71b1fcdd31f660a068 [0,2,0,0,0,0|2,0,0]=4 3474 B9R0.18 C=CCOC(C)COCC 764c32529709baf48be8cb2233a09513 [0,2,0,0,0,0|2,0,0]=4 3475 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [0,2,0,0,0,0|1,0,0]=3 3476 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [0,2,0,0,0,0|1,0,0]=3 3477 B9R0.18 CC(CCCO)NCC=O c7f19c3ade85d6e05312f1a58a72a0b0 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.18 CCC#CC(C)OCC=O 2b1abd7d5586aaa42e43353c0b47708a [0,2,0,0,0,0|0,0,2]=4 3479 B9R0.18 CCCCC(C)COCC 58365c9c9e662717f1bbd5e7f384f400 [0,2,0,0,0,0|1,0,1]=4 3480 B9R0.18 CCCCC(C)COCF 09ffbdc6b473e3828f87d6ed9dd457d6 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.18 CCCCC(C)NCC#N b546953f378234768ce5498ad567c9f0 [0,2,0,0,0,0|1,0,1]=4 3482 B9R0.18 CCCCC(C)NCC=O 17b13b22e791a7a0520f1bfd34f0e857 [0,2,0,0,0,0|0,0,0]=2 3483 B9R0.18 CCCCC(C)NCCBr 9fba29ec3a5cf6539561bd90121ef824 [0,2,0,0,0,0|1,0,1]=4 3484 B9R0.18 CCCCC(C)NCCC 2d290a5f42eca09ba83265f4a79377f0 [0,2,0,0,0,0|1,0,1]=4 3485 B9R0.18 CCCCC(C)NCCF 1c4f1f21c3559bf066a315a24bd566a8 [0,2,0,0,0,0|1,0,1]=4 3486 B9R0.18 CCCCC(C)NCCI 19ab92f263f6cb9513f4b684d182bbcb [0,2,0,0,0,0|1,0,1]=4 3487 B9R0.18 CCCCC(C)NCCO ff47d9e2568b188c4923b45bf7987a40 [0,2,0,0,0,0|0,0,2]=4 3488 B9R0.18 CCCCC(C)NCCS 5311705e3cab165ea51d61f6a43c54bb [0,2,0,0,0,0|0,1,1]=4 3489 B9R0.18 CCCCC(C)NCOC 72ee118d96c93b5e2ac974d6392482cd [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.18 CCCCC(C)NCSC bcfc6ecb0dcd8498089aa9706435be8a [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.18 CCCCC(C)OCC#N a49c2f2b2ea1e149d9135336e3cfab81 [0,2,0,0,0,0|1,0,1]=4 3492 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [0,2,0,0,0,0|0,0,0]=2 3493 B9R0.18 CCCCC(C)OCCC 03a9a54da7ce8074115dc5963e2487d3 [0,2,0,0,0,0|1,0,1]=4 3494 B9R0.18 CCCCC(C)OCCF 3f799a7d24890a960e30edb9bb965fe5 [0,2,0,0,0,0|1,0,1]=4 3495 B9R0.18 CCCCC(C)OCCS 498240fa81efc48a364f781ba80a2136 [0,2,0,0,0,0|0,1,1]=4 3496 B9R0.18 CCCCC(C)OCOC 2647a8351841aefd7767410eec944f14 [0,2,0,0,0,0|2,0,0]=4 3497 B9R0.18 CCCCC(C)OCSC 675cf4242578276faef054101752fff5 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.18 CCCCC(O)CNC=O eec15ce6abd05c06c56bfdaadbde9a0b [0,2,0,0,0,0|0,0,0]=2 3499 B9R0.18 CCCCC(O)CNCC 2232c12a60a38891a3dd994b7dd4662d [0,2,0,0,0,0|1,0,1]=4 3500 B9R0.18 CCCCC(O)CNCF 102643d672948c4c1a639cc48b3bd63d [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.18 CCCCC(O)CNCO 2dafc47aa294ecb110a3a11ecf631ac8 [0,2,0,0,0,0|0,0,2]=4 3502 B9R0.18 CCCCN(C)C/C=C/Cl 06607e9c3316ff40399895197c99c31e [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.18 CCCCN(C)C/C=C\Cl 1c1ea19ab7edf1442d981129c53ce818 [0,2,0,0,0,0|1,0,1]=4 3504 B9R0.18 CCCCN(C)C/C=C\O b670acc8005386db650855df49e5a609 [0,2,0,0,0,0|0,0,2]=4 3505 B9R0.18 CCCCN(C)CCC#N 69da986dc70b9ce5c7bbacc0239e101e [0,2,0,0,0,0|1,0,1]=4 3506 B9R0.18 CCCCN(C)CCC=O bf49116c9af507ce2cb2ede0349f47b2 [0,2,0,0,0,0|0,0,0]=2 3507 B9R0.18 CCCCN(C)CCCC 01d114e8ba11630440d2533ff68d32a7 [0,2,0,0,0,0|1,0,1]=4 3508 B9R0.18 CCCCN(C)CCCF 4be92356a0c3c7eadb0de19002552eba [0,2,0,0,0,0|1,0,1]=4 3509 B9R0.18 CCCCN(C)CCCO 57af9b9f3fe16b52eec79be093a09ab2 [0,2,0,0,0,0|0,0,2]=4 3510 B9R0.18 CCCCN(C)CCCS db78b2343bf1e747b24c591394ccae9c [0,2,0,0,0,0|0,1,1]=4 3511 B9R0.18 CCCCN(C)CCOC cb1c43014bdebf644141900952049354 [0,2,0,0,0,0|2,0,0]=4 3512 B9R0.18 CCCCN(C)CCON e842ff12b7339ff463865dee53244716 [0,2,0,0,0,0|2,0,0]=4 3513 B9R0.18 CCCCN(C)CCSC 8e85c27a7aed72c035e30d1c5ed54c02 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.18 CCCC[C@@H](C)NCC#N 98e4b81f76ee0376989ae9fea07edc18 [0,2,0,0,0,0|1,0,1]=4 3515 B9R0.18 CCCC[C@@H](C)NCC=O 04b56f2fdbafe2353e082e13229eedf1 [0,2,0,0,0,0|0,0,0]=2 3516 B9R0.18 CCCC[C@@H](C)NCCC 681a66d3f2656eddcb965975aeb1cfd0 [0,2,0,0,0,0|1,0,1]=4 3517 B9R0.18 CCCC[C@@H](C)NCCF 0e8602f3df83b4aa0e8e8f747cf182b2 [0,2,0,0,0,0|1,0,1]=4 3518 B9R0.18 CCCC[C@@H](C)NCCO 91f3234cc374ccfce736aaecc9b5736e [0,2,0,0,0,0|0,0,2]=4 3519 B9R0.18 CCCC[C@@H](C)NCCS 8b9dbc6c5ee5f29cbf78c5244c74622e [0,2,0,0,0,0|0,1,1]=4 3520 B9R0.18 CCCC[C@@H](C)NCOC f66d1627858146f3e552909b38c15c1f [0,2,0,0,0,0|2,0,0]=4 3521 B9R0.18 CCCC[C@@H](C)NCSC a789cbef4e3d9f77aa76a78bcc072748 [0,2,0,0,0,0|2,0,0]=4 3522 B9R0.18 CCCC[C@@H](C)OCC#N 3768ccd6166470de9b4699e30d70c1fa [0,2,0,0,0,0|1,0,1]=4 3523 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [0,2,0,0,0,0|0,0,0]=2 3524 B9R0.18 CCCC[C@@H](C)OCCC 3919e2b8d370ec3c53a10b41264f7777 [0,2,0,0,0,0|1,0,1]=4 3525 B9R0.18 CCCC[C@@H](C)OCCF 9e6e7d202edc7f99d8130b72feff99d7 [0,2,0,0,0,0|1,0,1]=4 3526 B9R0.18 CCCC[C@@H](C)OCCS da0dc6ff36920e5da60fbd4660080dd8 [0,2,0,0,0,0|0,1,1]=4 3527 B9R0.18 CCCC[C@@H](C)OCSC 5f93169fe26264ec85ba889f3f1492c7 [0,2,0,0,0,0|2,0,0]=4 3528 B9R0.18 CCCC[C@H](C)OCC#N 8fb280eb0fa37a708edcd7a81ea14614 [0,2,0,0,0,0|1,0,1]=4 3529 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [0,2,0,0,0,0|0,0,0]=2 3530 B9R0.18 CCCC[C@H](C)OCCC 66356f9f032d16fe1fbfbbab77eafd41 [0,2,0,0,0,0|1,0,1]=4 3531 B9R0.18 CCCC[C@H](C)OCCF 452211e2967f01206ae8ab89031a98ce [0,2,0,0,0,0|1,0,1]=4 3532 B9R0.18 CCCC[C@H](C)OCCS e7099a214ea1736c512624854b8788ff [0,2,0,0,0,0|0,1,1]=4 3533 B9R0.18 CCCC[C@H](C)OCSC 6f25ee6b4cd5695fd2c5f7349596b758 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.18 CCCNC(=O)CCC=O 5522fa26a355fc8eec3036c5a7687322 [0,2,0,0,0,0|0,0,1]=3 3535 B9R0.18 CCCNC(=O)CNC=O c315db3d6b2bea4fe1fde2f56e4a8e1b [0,2,0,0,0,0|1,0,1]=4 3536 B9R0.18 CCCNC(C)CCC#N 7c861cc8ef5cc16d5793cbcfc95eebfa [0,2,0,0,0,0|1,0,1]=4 3537 B9R0.18 CCCNC(C)CCCO e35a72c6f447647387525857cf3e6cf3 [0,2,0,0,0,0|0,0,2]=4 3538 B9R0.18 CCCN[C@H](C)CCCO 558264158e702c6f14ae3c30e7ce5099 [0,2,0,0,0,0|0,0,2]=4 3539 B9R0.18 CCCOC(C)CCC#N 0415ca1bc365e8df2ecd9c554f41b87d [0,2,0,0,0,0|1,0,1]=4 3540 B9R0.18 CCCOC(C)CCOC 747f19116197a3930af98e143e45dd61 [0,2,0,0,0,0|2,0,0]=4 3541 B9R0.18 CCCOC(C)CCSC 73142708a2860b7c297104e6b288642f [0,2,0,0,0,0|2,0,0]=4 3542 B9R0.18 CCNC[C@H](C)CCCO 59acf7998511cccd05de89c8199a3646 [0,2,0,0,0,0|0,0,2]=4 3543 B9R0.18 CCOCC(C)OCC=O 87171cd27869753cf4db9a5f37f279d2 [0,2,0,0,0,0|1,0,0]=3 3544 B9R0.18 CCOCC(O)CNC=O 5d9760e4c74be187414696b964d2f786 [0,2,0,0,0,0|1,0,0]=3 3545 B9R0.18 CN(CCC#N)CCC=O 2a44aa565bc854efed41344a006cede8 [0,2,0,0,0,0|1,0,1]=4 3546 B9R0.18 CN(CCC=O)CCCO 08286588e072c3b728da4dbcd3937da1 [0,2,0,0,0,0|1,0,0]=3 3547 B9R0.18 CN(CCC=O)CCON 5f4fc38bc74835d3d3f95af8c2285adb [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.18 COCCC(C)OCC=O d178477da94c6d9f9961f612dbf593df [0,2,0,0,0,0|1,0,0]=3 3549 B9R0.18 COCCN(C)CCC=O fa9ef9375e774603351f15368a01f26c [0,2,0,0,0,0|1,0,0]=3 3550 B9R0.18 CSCCC(C)OCC=O 1beb2ad0681904a21447ab254d6c6257 [0,2,0,0,0,0|1,0,0]=3 3551 B9R0.18 CSCCN(C)CCC=O aef8759b9ae729fbfdfb40b183dbf66e [0,2,0,0,0,0|1,0,0]=3 3552 B9R0.18 C[C@H](CCCO)CNC=O 55135246a811de86327512e6eb7c8cd9 [0,2,0,0,0,0|1,0,0]=3 3553 B9R0.18 C[C@H](CCCO)NCC=O 60c5b1603c2bcf27c36775727a810895 [0,2,0,0,0,0|1,0,0]=3 3554 B9R0.18 O=CCCC(=O)NCCBr 5e28faaf55a334198fda294f5f705573 [0,2,0,0,0,0|1,0,1]=4 3555 B9R0.18 O=CCCC(=O)NCCF 91d67e5cd52a149b17daa5a59d1d79c4 [0,2,0,0,0,0|1,0,1]=4 3556 B9R0.18 O=CCCC(=O)NCCI bb362f10012fed1741c05ff46bbc1299 [0,2,0,0,0,0|1,0,1]=4 3557 B9R0.18 O=CCCC(=O)NCCO c4b8aa0031e4f265e35bd211304e39e3 [0,2,0,0,0,0|1,0,1]=4 3558 B9R0.18 O=CCCC(=O)NCCS 4c8743810095a8e50fd4231e55ba50eb [0,2,0,0,0,0|1,0,1]=4 3559 B9R0.34 C=C(C=O)OC(C)CCC 979f90834a5eca82fa0a112573062881 [0,2,0,0,0,0|1,0,1]=4 3560 B9R0.34 C=CC(C)NC(C)CCC 6a1c3c1999c69f04d3b25e90f1be6621 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.34 C=CC(C)N[C@@H](C)CCC f0020ed0874b63e820f89c771fbd2e9f [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.34 C=CC(C)OC(C)CCC d6f08c125bcf1577f22bf702086a62cf [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.34 C=CC(C)O[C@@H](C)CCC e5d1a762773464f3725e73ab2451741c [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.34 C=CC(C)O[C@H](C)CCC f6c8ff9ae5dbe3255e805f837fe04e46 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.34 C=CCC(C)CN(C)CC 3fc7c27ea6ab60333fdab27be51bb716 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.34 C=CCC(C)OC(C)CC 87e37aee9e63c501d27b9aa54830514c [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.34 C=CCN(C)CC(C)CC f060a1ea394edf01b7633d8d73994019 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.34 C=CCN(C)CC(O)CC a2736e11d58dd60f95dfd58355966939 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.34 C=CCN(C)C[C@@H](C)CC 3032ef1a152caa6365c446cc3c625759 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.34 C=CCN(C)C[C@H](C)CC 88b7e74e5b498b29000379eb25096c90 [0,2,0,0,0,0|2,0,0]=4 3571 B9R0.34 C=CC[C@@H](C)OC(C)CC 531cd6395bd339e1c1ecee7ea088ee26 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.34 C=CC[C@H](C)OC(C)CC 9252b4b25e3937cb8f6ddd15b0f7b458 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.34 C=C[C@H](C)OC(C)CCC b5f2b2e4d7ddfe2c9e5864501cdbe6b3 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.34 CC(C=O)NC(C)CCO a0bb5977e4c1d9ff966ec80ebf9a1ea7 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.34 CC(C=O)N[C@@H](C)CCO 082f1d93ea059bab76dfa2ebd03fb24c [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.34 CC(C=O)N[C@H](C)CCO 8d645b9e44bf0f14a63809dd44dfbc05 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.34 CC(CCO)N[C@H](C)C=O 9d5a452d41eaa0360388b8bc6dff1b09 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.34 CC(CO)CN(C)CC=O 63c37ccde4a474a5ee875fe890651846 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.34 CCC(C)CC(C)NC=O da1680796a95364ea1511cef23b93312 [0,2,0,0,0,0|1,0,0]=3 3580 B9R0.34 CCC(C)NC(=O)CC=O fffc9cdc89eb43b42d452f7441f6b359 [0,2,0,0,0,0|1,0,1]=4 3581 B9R0.34 CCC(O)CN(C)CC=O e70ac0c48a159bedf4512721fbb9849c [0,2,0,0,0,0|1,0,0]=3 3582 B9R0.34 CCCC(=S)OC(C)C=O 3c7abe2a7c1a7f94a5df3c2537a33cf8 [0,2,0,0,0,0|1,0,1]=4 3583 B9R0.34 CCCC(=S)O[C@H](C)C=O 225870f89a58fb5ecc6b36357f8d4ab0 [0,2,0,0,0,0|1,0,1]=4 3584 B9R0.34 CCCC(C)NC(=O)C=O dc38ba5950699f1803639c5140fa8f50 [0,2,0,0,0,0|1,0,1]=4 3585 B9R0.34 CCCC(C)NC(C)C=O fa7cc0e9df731059b4fa525e747f4a8b [0,2,0,0,0,0|1,0,0]=3 3586 B9R0.34 CCCC(C)N[C@H](C)C=O 149fb08ab35e8b46e1b2f1a31d97c163 [0,2,0,0,0,0|1,0,0]=3 3587 B9R0.34 CCCC(C)OC(C)C=O daa250189bd969a5f64dfbc8ab581207 [0,2,0,0,0,0|1,0,0]=3 3588 B9R0.34 CCCC(C)O[C@H](C)C=O b8de606158b860c81fe72374e1d555f3 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.34 CCC[C@@H](C)OC(C)C=O 1bce1d2e6c195c4eb320e943394be0de [0,2,0,0,0,0|1,0,0]=3 3590 B9R0.34 CCC[C@@H](C)O[C@H](C)C=O eabc786dfb91bb3793575b2f2a9a66e4 [0,2,0,0,0,0|1,0,0]=3 3591 B9R0.34 CCC[C@H](C)NC(=O)C=O 81441a404e2525c1e98a6c56f6b1e7e7 [0,2,0,0,0,0|1,0,1]=4 3592 B9R0.34 CCC[C@H](C)NC(C)C=O 7853cb57b661b3764e5cd13b85390ea4 [0,2,0,0,0,0|1,0,0]=3 3593 B9R0.34 CCC[C@H](C)N[C@H](C)C=O a16ab6302ebec20e2ae941420595fc8b [0,2,0,0,0,0|1,0,0]=3 3594 B9R0.34 CCC[C@H](C)OC(C)C=O 4077e235063d1423f053353f1b4acd6b [0,2,0,0,0,0|1,0,0]=3 3595 B9R0.34 CCC[C@H](C)O[C@H](C)C=O 24eb961676ef2f8d752e620686c5118c [0,2,0,0,0,0|1,0,0]=3 3596 B9R0.34 CCOC(C)CN(C)C=O 9c84bdcef60f94191a71a98ae2651424 [0,2,0,0,0,0|2,0,0]=4 3597 B9R0.34 CC[C@@H](C)NC(=O)CC=O c52c55af7b57ae0dfd4aa5399ec0b750 [0,2,0,0,0,0|1,0,1]=4 3598 B9R0.34 CC[C@H](C)NC(=O)CC=O 02c2be14eca1a0be64d4fba9a43b76f1 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.34 CN(CC=O)CC(O)CO ed91feeafc7d21bdf9ac8ed915c31c52 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.34 COCC(C)NC(C)C=O c168e7780606822c87c84f334b6bd3b4 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.34 COCC(C)N[C@H](C)C=O ca0efb57bc46925dab2e7de0f8c70a51 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.34 COCC(C)OC(C)C=O 06e037abf7a5803a3df8d236c5d3ac3f [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.34 COCC(C)O[C@H](C)C=O faecbe20abc8f257f2ed0883c6d2d57e [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.34 COCC(O)CN(C)C=O e7a8ed7ab90badcfbbaf0da45e740c86 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.34 COC[C@@H](C)NC(C)C=O b1ca4c864a8701c72e782baa263ab833 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.34 COC[C@@H](C)N[C@H](C)C=O cb5ff97352631516a83cc6430f711278 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.34 COC[C@@H](C)OC(C)C=O 79487f4e06368652acd82d078c6428a9 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.34 COC[C@@H](C)O[C@H](C)C=O a5c5e564352e2e9d42fc58e78ea91054 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.34 COC[C@H](C)NC(C)C=O 463d638a55681696be45ca2e2ede71da [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.34 COC[C@H](C)N[C@H](C)C=O ed4354070ebf2af99953049f7666e05a [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.34 COC[C@H](C)OC(C)C=O f0ba0fe561507db5bb25931bea4db310 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.34 COC[C@H](C)O[C@H](C)C=O ec63da5345607936a953392d21a15d04 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.34 CSCC(C)OC(C)C=O 3cb3f302fa48b72c5b4bb09b5652b757 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.34 CSCC(C)O[C@H](C)C=O c9eda9cef88f2d369df3144bd3686fcc [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.34 C[C@H](C=O)N[C@@H](C)CCO 163ecadbbd6bb8b5f3901ed888ed4728 [0,2,0,0,0,0|2,0,0]=4 3616 B9R0.34 C[C@H](C=O)N[C@H](C)CCO 9f1af93896fad3634612ea7af2daedf0 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.35 C=CCN(C)C(C)CCC 3dbf221e1a302d53a84326e8857150fc [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.35 CC(CCO)N(C)CC=O 846fece37d5808c212f3771558a0ada0 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.35 CCCN(C)C(=O)CC=O 53b9d999b44048d70cd71c5e038ea488 [0,2,0,0,0,0|1,0,1]=4 3620 B9R0.35 C[C@@H](CCO)N(C)CC=O 40e3d5b5624b3762b3b88a75ff1a2e3e [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.40 C#CC(CCC)OCC=C b40292c17ae933771c76628d76de6212 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.40 C#CC(CCC)OCC=O c3a56d0bc020c9217ff571e63d5edc7e [0,2,0,0,0,0|1,0,0]=3 3623 B9R0.40 C=CC(CCC)OCC=O 97a093dd8f7a06e93218b6194193d862 [0,2,0,0,0,0|1,0,0]=3 3624 B9R0.40 C=CCC(C=C)OCCC 3a7c4b3974b424e3b5cde71a6bd038e2 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.40 C=CCCN(CC)CCC 135cbbf584a4acb04a30928aa6f0793f [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.40 C=CCN(C#N)CCCC 832a1995b09de4f2da97a82cc1bbc714 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.40 C=CCN(CC)CCCC d814498b4a5b7479f8f036e4ba7f7ad9 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.40 C=CCNC(CO)CCC 8eb3cc8a9701d5d8b3797a99757f128c [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.40 C=CCN[C@@H](CO)CCC 1a5e773cc16608c4417f9efd78c4972c [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.40 C=CCN[C@H](CO)CCC 47ca89f8d1413c129f39c39b3bcf0a43 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.40 C=CCOC(C#N)CCC 2afc692a6a255dfa231df03a1f306975 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.40 C=CCOC(C=C)CCC 6f292f25a3b15e49a3aa13f9ece40e35 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.40 C=CCOC(CC)CCC 35f0a04ab87e49bd2bcd6ae2c3b1ec56 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.40 C=CCO[C@H](CC)CCC 909f94d03c44d262a2f498f7d1d72eed [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.40 CCC(COC)NCC=O e7b4f894bc10f7187da5c3430b0102bb [0,2,0,0,0,0|2,0,0]=4 3636 B9R0.40 CCC(COC)OCC=O 5f30dabcbb13d23cab3066f7f0beccd8 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.40 CCC(CSC)OCC=O dcd673d2850b184b2fec7448886c52e5 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.40 CCCC(C#N)OCC=O 01ddc2376337bf1f8b22ba13eaeeec3e [0,2,0,0,0,0|1,0,0]=3 3639 B9R0.40 CCCC(CC)OCC=O b1477f7e8ef32b3e56f6ae9fc57610d7 [0,2,0,0,0,0|1,0,0]=3 3640 B9R0.40 CCCC(CO)NCC=O 89e751bb9ac90d3a1640a2254e1971af [0,2,0,0,0,0|1,0,0]=3 3641 B9R0.40 CCCCC(CO)NC=O f57b27fd178a9c21476ed36190092a88 [0,2,0,0,0,0|1,0,0]=3 3642 B9R0.40 CCCCN(CC)CC=O d871d9f188cada87ccdeb3afe3a7e109 [0,2,0,0,0,0|1,0,0]=3 3643 B9R0.40 CCCC[C@@H](CO)NC=O 42c575253100261406d9404d8f784f62 [0,2,0,0,0,0|1,0,0]=3 3644 B9R0.40 CCCC[C@H](CO)NC=O 8e288fee5f34d414b25597e2bfe4aa89 [0,2,0,0,0,0|1,0,0]=3 3645 B9R0.40 CCCN(CC)CCC=O 816556e3aed6bee14e9f9f8f47f1baa0 [0,2,0,0,0,0|1,0,0]=3 3646 B9R0.40 CCC[C@@H](CC)OCC=O 8cc017731c32203b67c1e17324dc9226 [0,2,0,0,0,0|1,0,0]=3 3647 B9R0.40 CCC[C@@H](CO)NCC=O adb24e8d9817ecf63d7c4805211c03e6 [0,2,0,0,0,0|1,0,0]=3 3648 B9R0.40 CCC[C@H](CO)NCC=O 9b5e59b6bd3500d8093e651190162811 [0,2,0,0,0,0|1,0,0]=3 3649 B9R0.40 CCN(CC=O)CCCO 6a838cf9ff99de6f86e8529ebe9e73b7 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.40 CCN(CC=O)CCOC d6f2cdbeafba6ea1e94d819f6bcc6527 [0,2,0,0,0,0|2,0,0]=4 3651 B9R0.40 CCN(CCCl)CCC=O dc13492d992a22f8b33ec7bf32311952 [0,2,0,0,0,0|2,0,0]=4 3652 B9R0.40 CCN(CCO)CCC=O c36804eda0f0b47d13a8dc83570a4b5f [0,2,0,0,0,0|2,0,0]=4 3653 B9R0.40 COCC(CO)NCC=O 96307abf67aa2c2d484a8373ee14327b [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.40 CSCC(CO)NCC=O f2962f0390c133e12d09e4d814b29ca5 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.40 CSCCC(CO)NC=O 68aaa4eb282b8a236b75d241474debc4 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.40 CSCC[C@@H](CO)NC=O d2f210ede537b3bb2a60357b8814a073 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.40 CSCC[C@H](CO)NC=O cc7aef84e49c6f0818ca22825b094c35 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.40 O=CCCN(CO)CCO c6217d8bb0238f484d64d5cf3514cdaf [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.40 O=CCNC(CO)CCO fcc8ca129a3b32953bdb19d5c501f26f [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.40 O=CCN[C@@H](CO)CCO 8db0baffa72f00368c1e41bb90fbbc6e [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.40 O=CCOC(CBr)CCBr 7cfa660f13a5c675954791ffb7ec2950 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.40 O=CCOC(CCl)CCCl 74746fe6be735183b2ac53d7fad521fb [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.40 O=CNC(CO)CCCO 0ab348ed17e29f13f068b776021b3b41 [0,2,0,0,0,0|2,0,0]=4 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439f29525e9ac53db46e03cff08e57cc [0,2,0,0,0,0|2,0,0]=4 3676 B9R0.48 C=C(Cl)CN[C@@H](C)CCC 5b1f9afd10517d211188dba56c2833fa [0,2,0,0,0,0|2,0,0]=4 3677 B9R0.48 C=C(Cl)COC(C)CCC 4469f239e88e997d5230d6906915a264 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.48 C=C(Cl)CO[C@@H](C)CCC 847077f2e15a78bac2a4d70b1ea7e8fa [0,2,0,0,0,0|2,0,0]=4 3679 B9R0.48 C=C(Cl)CO[C@H](C)CCC ff9eb95f7bb39ecffad9190ef32d24a9 [0,2,0,0,0,0|2,0,0]=4 3680 B9R0.48 C=C(I)COC(C)CCC 7041f181646a6f58588ec8a65571cde0 [0,2,0,0,0,0|2,0,0]=4 3681 B9R0.48 C=CCC(C)COC(C)C fc0f99fd5c1fda1e556c133e8fb9db21 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.48 C=CCC(C)OCC(C)C e3417de933793529d47bef6ae7fb87ec [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.48 C=CCC(O)CNC(C)C e5af93312824d72dcfc8f4941b40a48b [0,2,0,0,0,0|2,0,0]=4 3684 B9R0.48 C=CCN(C)CCC(C)C b8b436287e8ebefcf85fe7df0c39c1bc [0,2,0,0,0,0|2,0,0]=4 3685 B9R0.48 C=CCN(C)CCC(C)O 44d86d9a5c5b6ff5cd8fb1c633fd654b [0,2,0,0,0,0|2,0,0]=4 3686 B9R0.48 C=CC[C@@H](C)OCC(C)C ce5a65308cf16c8b755bfe119532f4f9 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.48 C=CC[C@H](C)OCC(C)C 48f910ff99dac321abfd4391492c038e [0,2,0,0,0,0|2,0,0]=4 3688 B9R0.48 CC(=O)CCN(C)CCF cdc83228dd3252c1749d13a60adc5400 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.48 CC(=O)CCN(C)CCO 4a03b831e9c1e8d9f6e965d9f1dd4ebb [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.48 CC(=O)CNC(C)CCO 9e95fc34e5592f78b50834034d3bee25 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.48 CC(=O)NCC(C)CCO e9136906ce0994bcda960f696063f2a9 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.48 CC(C)CCC(C)NC=O 0e29263a1badab455d9e9ecb6f4fc6bd [0,2,0,0,0,0|1,0,0]=3 3693 B9R0.48 CC(C)CCN(C)CC=O 63e9028e1872ca734b43a3e2f79564b8 [0,2,0,0,0,0|1,0,0]=3 3694 B9R0.48 CC(C)CNC(=O)CC=O eded3f924384a847332929ab66da76a7 [0,2,0,0,0,0|1,0,1]=4 3695 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.48 CC(CCN(C)C)NC=O 85ac04c2bfc3fcba95d660dd80bebe67 [0,2,0,0,0,0|2,0,0]=4 3698 B9R0.48 CC(CCO)NCC(=O)N ee855d8cbfe47d902f4e0ecbc66af7f8 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.48 CC(CCO)NCC(=O)O facbaef0695b9d4fe56ffc8af771a40f [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.48 CC(O)CCN(C)CC=O 68d5890db2cadede87ecf10404f7c147 [0,2,0,0,0,0|1,0,0]=3 3701 B9R0.48 CC(O)CNC(=O)CC=O 2832d8a2889a2f2765c4660c7c8bf242 [0,2,0,0,0,0|1,0,1]=4 3702 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,2,0,0,0,0|1,0,1]=4 3703 B9R0.48 CCCC(=O)NCC(=O)N 5610a82535abef121600219256c9e7bf [0,2,0,0,0,0|1,0,1]=4 3704 B9R0.48 CCCC(=S)OCC(=O)N 0b6465c79ee1be21a9602ef32757ede7 [0,2,0,0,0,0|1,0,1]=4 3705 B9R0.48 CCCC(=S)OCC(=O)O 1c62169da41f2cb2acdc293fd6559f2d [0,2,0,0,0,0|1,0,1]=4 3706 B9R0.48 CCCC(C)NCC(=O)C 6b8217a6e509e4e9ac7eac79852a2211 [0,2,0,0,0,0|1,0,0]=3 3707 B9R0.48 CCCC(C)NCC(=O)N c7599e8ca497fbac7099aebf1f0f8aac [0,2,0,0,0,0|1,0,0]=3 3708 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [0,2,0,0,0,0|1,0,0]=3 3709 B9R0.48 CCCC(C)NC[N+](=O)[O-] fec979aa2692a5b6c311cad8c0dbbc6c [0,2,0,0,0,0|2,0,0]=4 3710 B9R0.48 CCCC(C)OCC(=O)C 1cb96080ad3b5f1e9dd4a42dcc86b0a0 [0,2,0,0,0,0|1,0,0]=3 3711 B9R0.48 CCCC(C)OCC(=O)N 7e6999709f4494a1ecc876c304501582 [0,2,0,0,0,0|1,0,0]=3 3712 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,2,0,0,0,0|1,0,0]=3 3713 B9R0.48 CCCC(C)OCC(=S)N 53e4836c2da53eec93819a42a5b417e0 [0,2,0,0,0,0|1,1,0]=4 3714 B9R0.48 CCCC(C)OCS(=O)O 5fd3c2b57cde05de71deaa29073d7460 [0,2,0,0,0,0|2,0,0]=4 3715 B9R0.48 CCCC(C)OC[N+](=O)[O-] 46ae41b33890caee55b9c81d88ba1802 [0,2,0,0,0,0|2,0,0]=4 3716 B9R0.48 CCCC(O)CNC(=O)C 5b570a4d674c9d38425ae4777e887a42 [0,2,0,0,0,0|1,0,0]=3 3717 B9R0.48 CCCN(C)CCC(=O)C b29483cd50605788c7eef5f63dcb49c2 [0,2,0,0,0,0|1,0,0]=3 3718 B9R0.48 CCCN(C)CCC(=O)N df69e561042543f03748d6be46a7cd9c [0,2,0,0,0,0|1,0,0]=3 3719 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [0,2,0,0,0,0|1,0,0]=3 3720 B9R0.48 CCCN(C)CCS(=O)C 3f7f381d2ff7fd8f8b515c3fb76c3d89 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.48 CCCN(C)COC(=O)C 0353bc7482d98b3c935ad94681e2352d [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.48 CCCN(C)CSC(=O)N ac12b7ae18653dba20b50f3ea6b2b656 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.48 CCC[C@@H](C)OCC(=O)N c33601ccdbc26af4c94de37ccd60dbb7 [0,2,0,0,0,0|1,0,0]=3 3724 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,2,0,0,0,0|1,0,0]=3 3725 B9R0.48 CCC[C@@H](C)OC[N+](=O)[O-] 037447bd914f940e773e9ae4eec2b2c8 [0,2,0,0,0,0|2,0,0]=4 3726 B9R0.48 CCC[C@H](C)NCC(=O)N 2f193e4895d45290d1e4c025c650c03f [0,2,0,0,0,0|1,0,0]=3 3727 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,2,0,0,0,0|1,0,0]=3 3728 B9R0.48 CCC[C@H](C)NC[N+](=O)[O-] 5a5a7758cb713843e598c06054fa95a6 [0,2,0,0,0,0|2,0,0]=4 3729 B9R0.48 CCC[C@H](C)OCC(=O)N 838feb7f628304bf0a6aa0910dbfc330 [0,2,0,0,0,0|1,0,0]=3 3730 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,2,0,0,0,0|1,0,0]=3 3731 B9R0.48 CCC[C@H](C)OC[N+](=O)[O-] c885816113158913d765d3fd15d0fea0 [0,2,0,0,0,0|2,0,0]=4 3732 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,2,0,0,0,0|1,0,0]=3 3733 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,2,0,0,0,0|1,0,0]=3 3734 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,2,0,0,0,0|1,0,0]=3 3735 B9R0.48 CCOC(C)CNC(=O)C 217fca33332c664f1a507b96c62f402a [0,2,0,0,0,0|2,0,0]=4 3736 B9R0.48 CCOC(C)COC(=O)C 9e93393c063eba810753fb5603d4fc7e [0,2,0,0,0,0|2,0,0]=4 3737 B9R0.48 CN(C)CCN(C)CC=O fab879f9e9a5e94f3bece60139ce985d [0,2,0,0,0,0|2,0,0]=4 3738 B9R0.48 CN(CC=O)CCC(F)F aec7fe44253d67ca4ba47d882be8d137 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.48 CN(CCF)CCC(=O)N 1162d624abb9e02bb3e7367ba7025435 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.48 CN(CCF)CCC(=O)O 98b30d2a6b798aa5402f2613938994ad [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.48 CN(CCO)CCC(=O)N 4c6097e8d0e68d91a2233c9af460ed84 [0,2,0,0,0,0|2,0,0]=4 3742 B9R0.48 CN(CCO)CCC(=O)O dff5f325047c0f022e242f8ab09a0166 [0,2,0,0,0,0|2,0,0]=4 3743 B9R0.48 CN(CCS)CCC(=O)N b280f17724c33fdc42441d54cfbf13fc [0,2,0,0,0,0|2,0,0]=4 3744 B9R0.48 CN(CCS)CCC(=O)O 834e8dabd4decc6fedd4ae2dee1a1dfb [0,2,0,0,0,0|2,0,0]=4 3745 B9R0.48 COCC(C)NCC(=O)C 66428d1fbec130ffc6abd2b2b4184289 [0,2,0,0,0,0|2,0,0]=4 3746 B9R0.48 COCC(C)NCC(=O)N 2a85402add89b33d09cee582d974122e [0,2,0,0,0,0|2,0,0]=4 3747 B9R0.48 COCC(C)NCC(=O)O e01666d87959623998976d0fafabe1b4 [0,2,0,0,0,0|2,0,0]=4 3748 B9R0.48 COCC(C)OCC(=O)C ace81521640f8e9505293b44aa1ed37f [0,2,0,0,0,0|2,0,0]=4 3749 B9R0.48 COCC(C)OCC(=O)N 7d04affdce90658a1e1f9af9f91e8fcc [0,2,0,0,0,0|2,0,0]=4 3750 B9R0.48 COCC(C)OCC(=O)O af12d17716abae98c4b6439f05d9b8db [0,2,0,0,0,0|2,0,0]=4 3751 B9R0.48 COCC(O)CNC(=O)C b9e4b5e9625177a365a4bdbe35bd87be [0,2,0,0,0,0|2,0,0]=4 3752 B9R0.48 COCN(C)CCC(=O)N 5f04638c852e547a486d808a2002a8b7 [0,2,0,0,0,0|2,0,0]=4 3753 B9R0.48 COCN(C)CCC(=O)O 0303bd9b3e27ba66031eea0a93003c39 [0,2,0,0,0,0|2,0,0]=4 3754 B9R0.48 COC[C@@H](C)NCC(=O)N 19cec0a0d7c311317a88ea4dd58f1b22 [0,2,0,0,0,0|2,0,0]=4 3755 B9R0.48 COC[C@@H](C)NCC(=O)O e8166a8a6f9778cdf58111f239ebd7ae [0,2,0,0,0,0|2,0,0]=4 3756 B9R0.48 COC[C@@H](C)OCC(=O)N 0de9ccc6f20a88c5b21b25c17c729130 [0,2,0,0,0,0|2,0,0]=4 3757 B9R0.48 COC[C@@H](C)OCC(=O)O 98562fabe6feb10b85b2a34b6a556f9c [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.48 COC[C@@H](O)CNC(=O)C 77bae3eb71a3b0890035e84a8c0ee4ab [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.48 COC[C@H](C)NCC(=O)N 38f4aae9a8b29f292cc33528055c603b [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.48 COC[C@H](C)NCC(=O)O 6115e49dc0a4f10f9f15c2b7faed79c6 [0,2,0,0,0,0|2,0,0]=4 3761 B9R0.48 COC[C@H](C)OCC(=O)N dd66be63f36dd9f2bb1c38aa8a13e8db [0,2,0,0,0,0|2,0,0]=4 3762 B9R0.48 COC[C@H](C)OCC(=O)O 3f04353f9edb1d4c983cf07f5d5e3249 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.48 CSCC(C)OCC(=O)N 6815567749759bca3910689394e3339c [0,2,0,0,0,0|2,0,0]=4 3764 B9R0.48 CSCC(C)OCC(=O)O 55d35686540ec9ccedd07c412d0e4191 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.48 CSCN(C)CCC(=O)N 4e591e866b2c73dbff30a7b48b193437 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.48 CSCN(C)CCC(=O)O 014d9e48ffe569c3e580b87ffc15fcd1 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,2,0,0,0,0|2,0,0]=4 3768 B9R0.48 C[C@@H](CCN(C)C)NC=O 5b57fd99dc1bb12d18329d62ec4f7e81 [0,2,0,0,0,0|2,0,0]=4 3769 B9R0.48 C[C@@H](CCO)NCC(=O)N ce9017a5837179665e14eb055febb119 [0,2,0,0,0,0|2,0,0]=4 3770 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [0,2,0,0,0,0|2,0,0]=4 3771 B9R0.48 C[C@@H](O)CNC(=O)CC=O c5f8a8990dc2527544f5e767dc2c8777 [0,2,0,0,0,0|1,0,1]=4 3772 B9R0.48 C[C@H](CCN(C)C)NC=O 4e8c3bebb153fd5965552aebb697c744 [0,2,0,0,0,0|2,0,0]=4 3773 B9R0.48 C[C@H](CCO)NCC(=O)N b5d7ad76dea80bd36b6380bd7b31cf62 [0,2,0,0,0,0|2,0,0]=4 3774 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [0,2,0,0,0,0|2,0,0]=4 3775 B9R0.48 C[C@H](O)CNC(=O)CC=O 1ab59436021f4f0592cd45d38553884d [0,2,0,0,0,0|1,0,1]=4 3776 B9R0.66 C=CCC(C)(C)COCC cfa7453078c42e0a27c7f3b3e25b00fb [0,2,0,0,0,0|2,0,0]=4 3777 B9R0.66 CC(C)(CCCO)NC=O bdfb5bba7f97be6a6c65d2922a696b78 [0,2,0,0,0,0|2,0,0]=4 3778 B9R0.66 CC(C)(CCO)NCC=O 3d5726bb9f6312a65b9d9328d8f37ed1 [0,2,0,0,0,0|2,0,0]=4 3779 B9R0.66 CCCC(C)(O)CNC=O 1ff1e0443debe007748d4c8df4dad85d [0,2,0,0,0,0|1,0,0]=3 3780 B9R0.66 CCOCC(C)(C)NC=O c926b383b4d777b650d576cc6eae3720 [0,2,0,0,0,0|2,0,0]=4 3781 B9R0.66 CCSCC(C)(C)NC=O 6470f94310c98505d2f9f8924079652a [0,2,0,0,0,0|2,0,0]=4 3782 B9R0.66 COCC(C)(C)NCC=O 6f6c5e9d6a6e10cea68d9f2645826d09 [0,2,0,0,0,0|2,0,0]=4 3783 B9R0.66 COCC(C)(O)CNC=O 1a826e23cb2c74d6e61406ae0e2e5e23 [0,2,0,0,0,0|2,0,0]=4 3784 B9R0.66 CSCC(C)(C)NCC=O d90cd92c41c692dd884abde8f6c131b5 [0,2,0,0,0,0|2,0,0]=4 3785 B9R0.66 CSCCC(C)(C)NC=O 453ee6b95425e18f1cf872ad5712f4da [0,2,0,0,0,0|2,0,0]=4 3786 B9R0.2 C#CCCCCNC(=O)C 17a5fb310ae275da10c09cc8e56cb744 [0,2,0,0,0,0|0,0,2]=4 3787 B9R0.2 C#CCCCCNC(C)C 1cf28efeab8d504728ad037f9a2dcad9 [0,2,0,0,0,0|1,0,1]=4 3788 B9R0.2 C#CCCCCOC(C)C 5881554f4770cfe430cb3bdff6f2228f [0,2,0,0,0,0|1,0,1]=4 3789 B9R0.2 C#CCCCNCC(=O)C 85b511946396328a4830c965f2348ae8 [0,2,0,0,0,0|0,0,2]=4 3790 B9R0.2 C#CCCCNCC(=O)N 422b7eb983c8d6d4c6a758d9ab0f2df7 [0,2,0,0,0,0|0,0,2]=4 3791 B9R0.2 C#CCCCNCC(=O)O 975c67599d89c29829229a46ede70bbb [0,2,0,0,0,0|0,0,2]=4 3792 B9R0.2 C#CCCCNCC(C)C b635e7a3ab83f7f943a9f82356a55982 [0,2,0,0,0,0|1,0,1]=4 3793 B9R0.2 C#CCCCNCC(C)O 743ece49ea594253f3b067422e639a28 [0,2,0,0,0,0|1,0,1]=4 3794 B9R0.2 C#CCCCNC[C@@H](C)O b6c3dc820019335890da18a8301b2828 [0,2,0,0,0,0|1,0,1]=4 3795 B9R0.2 C#CCCCNC[C@H](C)O b4ea71b662d375aceb901f8888445658 [0,2,0,0,0,0|1,0,1]=4 3796 B9R0.2 C#CCCCOCC(=O)C de3c7e0bcdc679c333ea741fa094448e [0,2,0,0,0,0|0,0,2]=4 3797 B9R0.2 C#CCCCOCC(=O)N 14a2f4968765ea6ed7f09f07a0b8db8d [0,2,0,0,0,0|0,0,2]=4 3798 B9R0.2 C#CCCCOCC(=O)O 2f70653e4facc4c8d709313f8dc49158 [0,2,0,0,0,0|0,0,2]=4 3799 B9R0.2 C#CCCCOCC(C)C 26dcc55f402a4a441cca08e0dd9298c3 [0,2,0,0,0,0|1,0,1]=4 3800 B9R0.2 C#CCCCOCC(C)F a8a0a9de696b681b56a2457524ff2b0b [0,2,0,0,0,0|1,0,1]=4 3801 B9R0.2 C#CCCCOCC(C)S f35bba1e637a93e6447308b0848ab172 [0,2,0,0,0,0|1,0,1]=4 3802 B9R0.2 C#CCCCOC[C@@H](C)F 844720b66735c0ad3c0ebb4721b77d01 [0,2,0,0,0,0|1,0,1]=4 3803 B9R0.2 C#CCCCOC[C@H](C)F 54f3472d90c2aa6c02f8def158b9b448 [0,2,0,0,0,0|1,0,1]=4 3804 B9R0.2 C#CCCNCCC(=O)C b0de599e71706c38ab2308189ee5632b [0,2,0,0,0,0|0,0,2]=4 3805 B9R0.2 C#CCCNCCC(=O)N 75d12e33ede0bd8f8903ae1ba5239d36 [0,2,0,0,0,0|0,0,2]=4 3806 B9R0.2 C#CCCNCCC(=O)O f0943ce659e8236030e08bb793a8f150 [0,2,0,0,0,0|0,0,2]=4 3807 B9R0.2 C#CCCNCCC(C)C b1a4973baff4e57611970da58e78e644 [0,2,0,0,0,0|1,0,1]=4 3808 B9R0.2 C#CCCNCCC(C)O 093c037a96141adbb36587d1f97d0ce8 [0,2,0,0,0,0|1,0,1]=4 3809 B9R0.2 C#CCCNCC[C@@H](C)O 532ed56967e54fee06b7803176533b30 [0,2,0,0,0,0|1,0,1]=4 3810 B9R0.2 C#CCCNCC[C@H](C)O 829871eae3c7b1999b0a895e053fa5ab [0,2,0,0,0,0|1,0,1]=4 3811 B9R0.2 C#CCCOCCC(=O)C b8244bb9bfd056e8f9af77c283ea3633 [0,2,0,0,0,0|0,0,2]=4 3812 B9R0.2 C#CCCOCCC(=O)N 3fb9e148bca1413b81a3d889789966a5 [0,2,0,0,0,0|0,0,2]=4 3813 B9R0.2 C#CCCOCCC(=O)O 2c4ce5e28749673faf099da9626deea5 [0,2,0,0,0,0|0,0,2]=4 3814 B9R0.2 C#CCCOCCC(C)C f9f2b45824a5d8c42bb6eded3900c820 [0,2,0,0,0,0|1,0,1]=4 3815 B9R0.2 C#CCNCCCC(=O)C fcdbd9383acaf798dc1d1cfe9c3fb1ec [0,2,0,0,0,0|0,0,2]=4 3816 B9R0.2 C#CCNCCCC(=O)N e56db46af5c039e11cb1d1aa3b0634c7 [0,2,0,0,0,0|0,0,2]=4 3817 B9R0.2 C#CCNCCCC(=O)O f5a7649eb03cadc3fa013b1b8dd09d6d [0,2,0,0,0,0|0,0,2]=4 3818 B9R0.2 C#CCNCCCC(C)C 06db8f60cff9326492d6de271c3f6f2f [0,2,0,0,0,0|1,0,1]=4 3819 B9R0.2 C#CCNCCCC(C)O 00f3ec47ca8c1942f678d64588595294 [0,2,0,0,0,0|1,0,1]=4 3820 B9R0.2 C#CCOCCCC(=O)C 262583a5c500c382f7e7a9ff6529f8ea [0,2,0,0,0,0|0,0,2]=4 3821 B9R0.2 C#CCOCCCC(=O)N 7e37b09b4e6b21ea1d64ae2c91c7b976 [0,2,0,0,0,0|0,0,2]=4 3822 B9R0.2 C#CCOCCCC(C)C 2815610c8f76c4294306b48ead8a4bf3 [0,2,0,0,0,0|1,0,1]=4 3823 B9R0.2 C/C(=C/COCCC=O)/Cl 856066cd63c45b5b70a18ac61df4f55c [0,2,0,0,0,0|0,0,2]=4 3824 B9R0.2 C/C(=C/COCCC=O)/I 8529ce6d758adda3d442fc3bf9368313 [0,2,0,0,0,0|0,0,2]=4 3825 B9R0.2 C/C(=C\COCCC=O)/Cl 1a03f020b1c0795cb5282dfcc86604bc [0,2,0,0,0,0|0,0,2]=4 3826 B9R0.2 C/C=C/CCCOC(C)C 40ce30f1e3aac0f1d5d308e5d2cc32ca [0,2,0,0,0,0|1,0,1]=4 3827 B9R0.2 C/C=C/CCOCC(=O)N 1b4c278fa7da72d5ef7b5d74cc032b71 [0,2,0,0,0,0|0,0,2]=4 3828 B9R0.2 C/C=C/CCOCC(=O)O d02eb75e5aadfb9961c8467e0504d028 [0,2,0,0,0,0|0,0,2]=4 3829 B9R0.2 C/C=C/CCOCC(C)C c5f8b119ea4d624eb9d257ad00c1f77f [0,2,0,0,0,0|1,0,1]=4 3830 B9R0.2 C/C=C/CNCCC(=O)N 2c66c5b06aebbc0554671340b76b821f [0,2,0,0,0,0|0,0,2]=4 3831 B9R0.2 C/C=C/CNCCC(=O)O 320ccfadee70343ec534463874adee9c [0,2,0,0,0,0|0,0,2]=4 3832 B9R0.2 C/C=C/CNCCC(C)C 63d3ef92b493d46133fab82e97297506 [0,2,0,0,0,0|1,0,1]=4 3833 B9R0.2 C/C=C/CNCCC(C)O 6debd4c663ac5174d8c60e8493d18bb2 [0,2,0,0,0,0|1,0,1]=4 3834 B9R0.2 C/C=C/CNCC[C@@H](C)O ca62f7533275ba0a68bef6cf6bb405f0 [0,2,0,0,0,0|1,0,1]=4 3835 B9R0.2 C/C=C/CNCC[C@H](C)O b51f43a564ca9ad16826b32fa7b19015 [0,2,0,0,0,0|1,0,1]=4 3836 B9R0.2 C/C=C/COCCC(=O)C 858ea95d33d428d48407fa618083ad57 [0,2,0,0,0,0|0,0,2]=4 3837 B9R0.2 C/C=C/COCCC(=O)N 9f1ef4b90fcdbe460fd864847b4fb003 [0,2,0,0,0,0|0,0,2]=4 3838 B9R0.2 C/C=C/COCCC(=O)O de4483f9043c4323aa635f969181027c [0,2,0,0,0,0|0,0,2]=4 3839 B9R0.2 C/C=C/COCCC(C)C d70bf3413b611544a4afaa244a184a93 [0,2,0,0,0,0|1,0,1]=4 3840 B9R0.2 C/C=C\CCCOC(C)C 85c8156bc8171cd02b9128d656a8c14d [0,2,0,0,0,0|1,0,1]=4 3841 B9R0.2 C/C=C\CNCCC(=O)N d1ba06ad775bc882fa1fc61022310a26 [0,2,0,0,0,0|0,0,2]=4 3842 B9R0.2 C/C=C\CNCCC(=O)O 3db27db0f3bf53817103cf733a337082 [0,2,0,0,0,0|0,0,2]=4 3843 B9R0.2 C/C=C\CNCCC(C)C 92a6be171755d71055de29eff0febf98 [0,2,0,0,0,0|1,0,1]=4 3844 B9R0.2 C/C=C\CNCCC(C)O 23edc2a5ebf3ae72f3a4140484341e9d [0,2,0,0,0,0|1,0,1]=4 3845 B9R0.2 C/C=C\CNCC[C@@H](C)O 4e90f7a38be0c1d6f9219d045ccaa620 [0,2,0,0,0,0|1,0,1]=4 3846 B9R0.2 C/C=C\CNCC[C@H](C)O 00bcbf6640cd1d0cb50e464dfceaac30 [0,2,0,0,0,0|1,0,1]=4 3847 B9R0.2 C/C=C\COCCC(=O)C 2a3ddac5ad4ddb2079c9ab12180deff2 [0,2,0,0,0,0|0,0,2]=4 3848 B9R0.2 C/C=C\COCCC(=O)N 2f6e28aba292265c8dfbc55d4ac756f7 [0,2,0,0,0,0|0,0,2]=4 3849 B9R0.2 C/C=C\COCCC(=O)O 77884cf4196c6ee578ac2dc56b34854b [0,2,0,0,0,0|0,0,2]=4 3850 B9R0.2 C/C=C\COCCC(C)C 009e3b7c7e2987e5c250113058fc0d2b [0,2,0,0,0,0|1,0,1]=4 3851 B9R0.2 C=C(Br)CCOCCC=O 9d4b63a2042f79c1332fc649fafc59e8 [0,2,0,0,0,0|0,0,2]=4 3852 B9R0.2 C=C(Br)CCOCCCC 89aeee49c614e8b481f89262dbe440df [0,2,0,0,0,0|1,0,0]=3 3853 B9R0.2 C=C(Br)CCOCCCF 08ac2e8fb91b2fcff0fda563b7ff8c56 [0,2,0,0,0,0|2,0,0]=4 3854 B9R0.2 C=C(Br)CCOCCCS 61e491a5e045ff62deb7b9a7fa27f14e [0,2,0,0,0,0|2,0,0]=4 3855 B9R0.2 C=C(Br)CCOCCOC a62c141e23f02e0dd3bd90886ea4c3c3 [0,2,0,0,0,0|2,0,0]=4 3856 B9R0.2 C=C(Br)CCOCCSC 650adca430c56802c92cbb8dffeb10d2 [0,2,0,0,0,0|2,0,0]=4 3857 B9R0.2 C=C(Br)CCOCOCC 9c266a169a6b731fe0e057eb8001d1f9 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.2 C=C(Br)CNCCCC=O 622d2b9e1a42fe979aae3b2380e59934 [0,2,0,0,0,0|0,0,2]=4 3859 B9R0.2 C=C(Br)CNCCCCC d279768b5fdacaf2cda306ea756513dc [0,2,0,0,0,0|1,0,0]=3 3860 B9R0.2 C=C(Br)CNCCCCCl 18e13d7050df2748c836843a207af4ab [0,2,0,0,0,0|2,0,0]=4 3861 B9R0.2 C=C(Br)CNCCCCF 4fb3ccb693b8922bcc63a8e789f9407a [0,2,0,0,0,0|2,0,0]=4 3862 B9R0.2 C=C(Br)CNCCCCO bcd7c7ee8dbd41f45c793181bbb5dc30 [0,2,0,0,0,0|2,0,0]=4 3863 B9R0.2 C=C(Br)CNCCCCS 78f752f2c9899306dfd1d9f8ef8758fa [0,2,0,0,0,0|2,0,0]=4 3864 B9R0.2 C=C(Br)CNCCCOC 9bf06ff187261bfc3f96278cfc538940 [0,2,0,0,0,0|2,0,0]=4 3865 B9R0.2 C=C(Br)CNCCCSC 5bf91a1989c4567d484796b7ee4ab621 [0,2,0,0,0,0|2,0,0]=4 3866 B9R0.2 C=C(Br)CNCCOCC 5cfec76638e46e12a20fb02de3362a4a [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.2 C=C(Br)CNCCSCC f9bba534ed4213216e82dd22ca5c021b [0,2,0,0,0,0|2,0,0]=4 3868 B9R0.2 C=C(Br)COCCCC=O 22dfbd377b448c2bcf3dbaa696e3e67b [0,2,0,0,0,0|0,0,2]=4 3869 B9R0.2 C=C(Br)COCCCCC d3362ef2dbe291c29da898c0e2060a14 [0,2,0,0,0,0|1,0,0]=3 3870 B9R0.2 C=C(Br)COCCCCF cd90ef163e98b46dcbf73fd6b66f406e [0,2,0,0,0,0|2,0,0]=4 3871 B9R0.2 C=C(Br)COCCCCS 6f8de5642f894539d555799ccbdcc37d [0,2,0,0,0,0|2,0,0]=4 3872 B9R0.2 C=C(Br)COCCCOC cd22307043a4a4b2f52da469ae9be5f1 [0,2,0,0,0,0|2,0,0]=4 3873 B9R0.2 C=C(Br)COCCCSC c0fa526ed600ecc0d780c699bd6db040 [0,2,0,0,0,0|2,0,0]=4 3874 B9R0.2 C=C(Br)COCCOCC 499fdf490c6b0aa16a42dc6262ffdd3a [0,2,0,0,0,0|2,0,0]=4 3875 B9R0.2 C=C(Br)COCCSCC 36301ec92908db3abda4d03a8faccc8e [0,2,0,0,0,0|2,0,0]=4 3876 B9R0.2 C=C(C)CCCNCCBr 8986ff0e04952bb90f74c67731a75fd2 [0,2,0,0,0,0|2,0,0]=4 3877 B9R0.2 C=C(C)CCCNCCC c3cac283cbd12fbf0ac91ae77d2206d5 [0,2,0,0,0,0|1,0,0]=3 3878 B9R0.2 C=C(C)CCCNCCF d3c4c55543f36bd3903e059501c3d001 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.2 C=C(C)CCCNCCI 184729b900abd96b8560210fbdea6404 [0,2,0,0,0,0|2,0,0]=4 3880 B9R0.2 C=C(C)CCCNCCO 72fb4abcfc8c2de4dbf836b0a286d07d [0,2,0,0,0,0|2,0,0]=4 3881 B9R0.2 C=C(C)CCCNCCS 14d4198a01b6e03d3a77d8b021a66905 [0,2,0,0,0,0|2,0,0]=4 3882 B9R0.2 C=C(C)CCCOCC=O 31f7e141eed9075e295048839fc5c90d [0,2,0,0,0,0|0,0,1]=3 3883 B9R0.2 C=C(C)CCCOCCC 4f69b68cc6888e5abf6b0488c9a109cb [0,2,0,0,0,0|1,0,0]=3 3884 B9R0.2 C=C(C)CCCOCCF 76308bdaa6e0eb46160468a356d7a021 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.2 C=C(C)CCCOCCS a710447b0c92193b6683bcf667e183ab [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.2 C=C(C)CCCOCOC 53d906b0b2c23661dc9c041465ee2d83 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.2 C=C(C)CCCOCSC 9ff01b72a38ffef747abe164c40eb460 [0,2,0,0,0,0|2,0,0]=4 3888 B9R0.2 C=C(C)CCNCCC=O 33e649fe1b10dd4fd4f4bea167d4d170 [0,2,0,0,0,0|0,0,1]=3 3889 B9R0.2 C=C(C)CCNCCCC 09dea3d5646408c299eb2754a1e1c1cd [0,2,0,0,0,0|1,0,0]=3 3890 B9R0.2 C=C(C)CCNCCCCl 19de048ac51673d3aaa6bc3af0aa5d9d [0,2,0,0,0,0|2,0,0]=4 3891 B9R0.2 C=C(C)CCNCCCF 2f6cde27e0b18a81893366038308fdcc [0,2,0,0,0,0|2,0,0]=4 3892 B9R0.2 C=C(C)CCNCCCO 237e934407e2f80895a50d460e0c174d [0,2,0,0,0,0|2,0,0]=4 3893 B9R0.2 C=C(C)CCNCCCS 4635bf0b3492075a5f5d59b65999782e [0,2,0,0,0,0|2,0,0]=4 3894 B9R0.2 C=C(C)CCNCCOC aa8a0a94c006c73f923a51cdae3f1f8e [0,2,0,0,0,0|2,0,0]=4 3895 B9R0.2 C=C(C)CCNCCSC d4578dbebf7d4724205bf99fa2f9ba72 [0,2,0,0,0,0|2,0,0]=4 3896 B9R0.2 C=C(C)CCNCOCC f4de9c2329a0a38ab41bb7a5ba8afe05 [0,2,0,0,0,0|2,0,0]=4 3897 B9R0.2 C=C(C)CCOCCC=O 98b2f70da8b91ef28535ddbb6c06716f [0,2,0,0,0,0|0,0,1]=3 3898 B9R0.2 C=C(C)CCOCCCC 43e61bb8669727040bdbd33fc265d7ab [0,2,0,0,0,0|1,0,0]=3 3899 B9R0.2 C=C(C)CCOCCCF 4f05183773f76ad70187bfb2b5db2add [0,2,0,0,0,0|2,0,0]=4 3900 B9R0.2 C=C(C)CCOCCCS 54edad4905aa6a90dd74a875f3b8580c [0,2,0,0,0,0|2,0,0]=4 3901 B9R0.2 C=C(C)CCOCCOC 67bd7d77bcb9250ea71c8a04c5abf232 [0,2,0,0,0,0|2,0,0]=4 3902 B9R0.2 C=C(C)CCOCCSC 2419d01dab7f58e2ba353b19229cf906 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.2 C=C(C)CCOCOCC 8f670049fe2e01cc3448c7e08491639e [0,2,0,0,0,0|2,0,0]=4 3904 B9R0.2 C=C(C)CNCCCC=O 29c2a6244f3fc1b59a4ad4babd0dc6b6 [0,2,0,0,0,0|0,0,1]=3 3905 B9R0.2 C=C(C)CNCCCCC 1fe982b20ee6c93d1b92220bddb7f573 [0,2,0,0,0,0|1,0,0]=3 3906 B9R0.2 C=C(C)CNCCCCCl b17281cb04bf565fb5b282dcd6071adf [0,2,0,0,0,0|2,0,0]=4 3907 B9R0.2 C=C(C)CNCCCCF a4723fc738cce1ba2188e74635f5f9ae [0,2,0,0,0,0|2,0,0]=4 3908 B9R0.2 C=C(C)CNCCCCO f295044566a501ed18f2fadfcbe93198 [0,2,0,0,0,0|2,0,0]=4 3909 B9R0.2 C=C(C)CNCCCCS 1bb6b0faba82bc9dfa9cf2626a5de19e [0,2,0,0,0,0|2,0,0]=4 3910 B9R0.2 C=C(C)CNCCCOC 0ac9088df74f601b70445d799c91be29 [0,2,0,0,0,0|2,0,0]=4 3911 B9R0.2 C=C(C)CNCCCSC fd251088811ac4fee5625d3fe27b3427 [0,2,0,0,0,0|2,0,0]=4 3912 B9R0.2 C=C(C)CNCCOCC 84c994c2359feab13720c16b66645287 [0,2,0,0,0,0|2,0,0]=4 3913 B9R0.2 C=C(C)CNCCSCC fd8e3fc32786755a703764fd326a09da [0,2,0,0,0,0|2,0,0]=4 3914 B9R0.2 C=C(C)COCCCC=O 1ee607c5d48aeec0021cf268e8c84302 [0,2,0,0,0,0|0,0,1]=3 3915 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [0,2,0,0,0,0|1,0,0]=3 3916 B9R0.2 C=C(C)COCCCCF cf601ba6ef881d7ca1cf3f8cbe7608cb [0,2,0,0,0,0|2,0,0]=4 3917 B9R0.2 C=C(C)COCCCCS 8620ff2b2c37e1b6d86f0c7727ba02cb [0,2,0,0,0,0|2,0,0]=4 3918 B9R0.2 C=C(C)COCCCOC 2997bb7f8cda230019814f31b39c3495 [0,2,0,0,0,0|2,0,0]=4 3919 B9R0.2 C=C(C)COCCCSC b8eaf779a617118d20a8c289148d24b7 [0,2,0,0,0,0|2,0,0]=4 3920 B9R0.2 C=C(C)COCCNC=O 44801f89562c8854c37795dd8ba2b4d0 [0,2,0,0,0,0|1,0,1]=4 3921 B9R0.2 C=C(C)COCCOC=O e8ff5eee3d0b7bf35567e690a7866878 [0,2,0,0,0,0|1,0,1]=4 3922 B9R0.2 C=C(C)COCCOCC 49014f9a0948543aa38cd68db94b7916 [0,2,0,0,0,0|2,0,0]=4 3923 B9R0.2 C=C(C)COCCSCC a78c536cb05957de27781c26ce16a376 [0,2,0,0,0,0|2,0,0]=4 3924 B9R0.2 C=C(Cl)CNCCCCC 3426772373d2ee591d1567d95131ca5d [0,2,0,0,0,0|1,0,0]=3 3925 B9R0.2 C=C(Cl)CNCCCCCl 07d951ac778f280fac6fa78677e22fc7 [0,2,0,0,0,0|2,0,0]=4 3926 B9R0.2 C=C(Cl)CNCCCCO 9c5f92be763dae29ee5d1791e269975f [0,2,0,0,0,0|2,0,0]=4 3927 B9R0.2 C=C(Cl)CNCCCCS 02c74a8e001567183ed97baf601b4796 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.2 C=C(Cl)CNCCCOC b8e59472c0f665132bf0a12e4a413af7 [0,2,0,0,0,0|2,0,0]=4 3929 B9R0.2 C=C(Cl)CNCCCSC 23413e5771406c085cf6dab86d815e15 [0,2,0,0,0,0|2,0,0]=4 3930 B9R0.2 C=C(Cl)CNCCOCC 4f632e57b8f73797a4aba49f5bf9dc84 [0,2,0,0,0,0|2,0,0]=4 3931 B9R0.2 C=C(Cl)CNCCSCC be34d3775f82bf388f4072c95a735932 [0,2,0,0,0,0|2,0,0]=4 3932 B9R0.2 C=C(Cl)COCCCC=O e0672fecf6552db65b6f43a168d31be1 [0,2,0,0,0,0|0,0,2]=4 3933 B9R0.2 C=C(Cl)COCCCCC 57ce6103051dc6a3f88df4c556cae1cb [0,2,0,0,0,0|1,0,0]=3 3934 B9R0.2 C=C(Cl)COCCCCF 567382900af5cdbe29a16c2ad078542b [0,2,0,0,0,0|2,0,0]=4 3935 B9R0.2 C=C(Cl)COCCCCS 6d2e486e1ec1a305effa235ddd5681b2 [0,2,0,0,0,0|2,0,0]=4 3936 B9R0.2 C=C(Cl)COCCCOC a468fb93755d9f5366e10bd900631531 [0,2,0,0,0,0|2,0,0]=4 3937 B9R0.2 C=C(Cl)COCCCSC 9f18158a03f253996639947f3c3e438f [0,2,0,0,0,0|2,0,0]=4 3938 B9R0.2 C=C(Cl)COCCOCC 421cc8d91a44a370d0764c174fc7914a [0,2,0,0,0,0|2,0,0]=4 3939 B9R0.2 C=C(Cl)COCCSCC d345fb4a323db8f45f6ac36761aa1ebe [0,2,0,0,0,0|2,0,0]=4 3940 B9R0.2 C=C(F)CNCCCCCl 761bebe0832055a65e98ed281f773c78 [0,2,0,0,0,0|2,0,0]=4 3941 B9R0.2 C=C(F)CNCCCCO cb7a959baa54bf2f113c6a0aefb6408c [0,2,0,0,0,0|2,0,0]=4 3942 B9R0.2 C=C(F)CNCCCSC df38254f0fa48a87c14ccc1978436327 [0,2,0,0,0,0|2,0,0]=4 3943 B9R0.2 C=C(F)CNCCSCC 46da77e19d87bd39cb815986f8047e75 [0,2,0,0,0,0|2,0,0]=4 3944 B9R0.2 C=C(F)COCCCC=O 74c9a40d9177e69a488b4d22ad9a0bad [0,2,0,0,0,0|0,0,2]=4 3945 B9R0.2 C=C(F)COCCCCC 0f55d43253501cd8e5c46108728cd273 [0,2,0,0,0,0|1,0,0]=3 3946 B9R0.2 C=C(F)COCCCCF d33e0990d3dfe90fd10847ec2a6c2d5d [0,2,0,0,0,0|2,0,0]=4 3947 B9R0.2 C=C(F)COCCCCS 4b1e094f2ade4de23dfea50a3fbd3605 [0,2,0,0,0,0|2,0,0]=4 3948 B9R0.2 C=C(F)COCCCOC 099ba9b5ad1513a7e3cbef2be9d1fdac [0,2,0,0,0,0|2,0,0]=4 3949 B9R0.2 C=C(F)COCCCSC 3774eb63bb00bd17a7135027babe2992 [0,2,0,0,0,0|2,0,0]=4 3950 B9R0.2 C=C(F)COCCOCC ad422a2bc0564566d990a9adfdecaac6 [0,2,0,0,0,0|2,0,0]=4 3951 B9R0.2 C=C(F)COCCSCC bbd04362f0872b5ceba8a7a42c56bfb4 [0,2,0,0,0,0|2,0,0]=4 3952 B9R0.2 C=C(I)COCCCC=O eb82bb2ec401693cf63546cbaadc2b50 [0,2,0,0,0,0|0,0,2]=4 3953 B9R0.2 C=C(I)COCCCCC c852b2428fca73d35ed637c77ee2c36e [0,2,0,0,0,0|1,0,0]=3 3954 B9R0.2 C=C(I)COCCCCF 08ab89f0db0ad370ac41c4b15db42cba [0,2,0,0,0,0|2,0,0]=4 3955 B9R0.2 C=C(I)COCCCOC 369b68cc758a31d752e1dc56f8ee0af7 [0,2,0,0,0,0|2,0,0]=4 3956 B9R0.2 C=C(I)COCCCSC 5d0c97ba36352d4811d8649d537df4d6 [0,2,0,0,0,0|2,0,0]=4 3957 B9R0.2 C=C(I)COCCOCC 0b5afc65e1ebe418868266904d39aa3a [0,2,0,0,0,0|2,0,0]=4 3958 B9R0.2 C=C(I)COCCSCC e5211c118d8c61788b0570d5ad93a21c [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.2 C=C=CCCOCC(C)C 3c06c5c58fea6440f92674cd035fcc21 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.2 C=CCCCCNC(=O)C e363a045dea279ada86c2460a8f9bcff [0,2,0,0,0,0|0,0,2]=4 3961 B9R0.2 C=CCCCCNC(C)C 83b8cd91d9fc83d66ce313beef45089c [0,2,0,0,0,0|1,0,0]=3 3962 B9R0.2 C=CCCCCOC(C)C 3cfc8aac993bdcac35393799ce22521b [0,2,0,0,0,0|1,0,0]=3 3963 B9R0.2 C=CCCCNCC(=C)C 43b165e7096ce52c08a3182869a4b0d6 [0,2,0,0,0,0|1,0,1]=4 3964 B9R0.2 C=CCCCNCC(=O)C 6f9860b69421ae53f4aa8aab3f88206c [0,2,0,0,0,0|0,0,2]=4 3965 B9R0.2 C=CCCCNCC(=O)N 8c050bcb16397c545676f8ccaf3ff612 [0,2,0,0,0,0|0,0,2]=4 3966 B9R0.2 C=CCCCNCC(=O)O a6a74f703c15b040a944f1de5b7b31dd [0,2,0,0,0,0|0,0,2]=4 3967 B9R0.2 C=CCCCNCC(C)C 62ec41d1afa0af4d7423b970903e54b2 [0,2,0,0,0,0|1,0,0]=3 3968 B9R0.2 C=CCCCNCC(C)O 4a3b6f82c18763a4fc62f442d8f6e078 [0,2,0,0,0,0|1,0,0]=3 3969 B9R0.2 C=CCCCNCC(F)F d57489a97df10c6abb1c24b3c7764bda [0,2,0,0,0,0|2,0,0]=4 3970 B9R0.2 C=CCCCNCN(C)C 701d609b4063305a2a4feba448228195 [0,2,0,0,0,0|2,0,0]=4 3971 B9R0.2 C=CCCCNC[C@@H](C)O 983f0c675aea640173991cab18e2df22 [0,2,0,0,0,0|1,0,0]=3 3972 B9R0.2 C=CCCCNC[C@H](C)O a263ed32c61d1371d0b28eb47dc2375c [0,2,0,0,0,0|1,0,0]=3 3973 B9R0.2 C=CCCCOCC(=C)C 087b5d3ebc220de6695ac64d1aeffacc [0,2,0,0,0,0|1,0,1]=4 3974 B9R0.2 C=CCCCOCC(=O)C d117c37583b469359d4bb73ae405c58e [0,2,0,0,0,0|0,0,2]=4 3975 B9R0.2 C=CCCCOCC(=O)N a71db548756a9d786302c30982c036e5 [0,2,0,0,0,0|0,0,2]=4 3976 B9R0.2 C=CCCCOCC(=O)O 1c361a5699eb9366896dc4e13da269f8 [0,2,0,0,0,0|0,0,2]=4 3977 B9R0.2 C=CCCCOCC(C)C 65d5a16810333c61b1decb3cdf4c633e [0,2,0,0,0,0|1,0,0]=3 3978 B9R0.2 C=CCCCOCC(C)F ebd6c46dc6feb1a9b0cd67651d6381bb [0,2,0,0,0,0|1,0,0]=3 3979 B9R0.2 C=CCCCOCC(C)S e1b8c86c5c63d2741e4da26ed9f7909e [0,2,0,0,0,0|1,0,0]=3 3980 B9R0.2 C=CCCCOCC(F)F adb62c609e2a4ed55a47ddc66536197e [0,2,0,0,0,0|2,0,0]=4 3981 B9R0.2 C=CCCCOCN(C)C 5f0733af6c1f2fe446ce0ca204740a8e [0,2,0,0,0,0|2,0,0]=4 3982 B9R0.2 C=CCCCOC[C@@H](C)F 9809ea5df8507870959787a7efe1be52 [0,2,0,0,0,0|1,0,0]=3 3983 B9R0.2 C=CCCCOC[C@H](C)F a96e0b56fe6ecfed1be90097d9bc1b6d [0,2,0,0,0,0|1,0,0]=3 3984 B9R0.2 C=CCCNCCC(=C)C 78f8dff4c86a45403bfd613a7f3ad83e [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.2 C=CCCNCCC(=O)C 931becbc31ffa1a17243333f7bced09b [0,2,0,0,0,0|0,0,2]=4 3986 B9R0.2 C=CCCNCCC(=O)N 185ea1dfba44894df83c1b20bfe59e67 [0,2,0,0,0,0|0,0,2]=4 3987 B9R0.2 C=CCCNCCC(=O)O 6eb4f7dd1144c7fedf5fea8b2859a1ee [0,2,0,0,0,0|0,0,2]=4 3988 B9R0.2 C=CCCNCCC(C)C fae91ca1d68c6146fdd58721047b97e7 [0,2,0,0,0,0|1,0,0]=3 3989 B9R0.2 C=CCCNCCC(C)O b8492dec9a37e008414ce0bf89db15b0 [0,2,0,0,0,0|1,0,0]=3 3990 B9R0.2 C=CCCNCCC(F)F eec340096ffb067d7da3fd7eb154a899 [0,2,0,0,0,0|2,0,0]=4 3991 B9R0.2 C=CCCNCCN(C)C d02f9dd43f85d8b080f7151bca3c8a94 [0,2,0,0,0,0|2,0,0]=4 3992 B9R0.2 C=CCCNCCS(=O)C 3f26e903d2a2675654b14fbe1149d99b [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.2 C=CCCNCC[C@@H](C)O f3546862ad4e759378d31e927269ce7b [0,2,0,0,0,0|1,0,0]=3 3994 B9R0.2 C=CCCNCC[C@H](C)O a2cdfa15e30295a5704136a6f7dfa9db [0,2,0,0,0,0|1,0,0]=3 3995 B9R0.2 C=CCCNCOC(C)C 4539adf926437872c35c2213c4eb3398 [0,2,0,0,0,0|2,0,0]=4 3996 B9R0.2 C=CCCOCCC(=C)C d03e028db1137b4f0e447e561dff7239 [0,2,0,0,0,0|1,0,1]=4 3997 B9R0.2 C=CCCOCCC(=O)C 132546dab84893072980505fc0c16835 [0,2,0,0,0,0|0,0,2]=4 3998 B9R0.2 C=CCCOCCC(=O)N aee188e7bbb14f2cdec6e6f3ddb9e064 [0,2,0,0,0,0|0,0,2]=4 3999 B9R0.2 C=CCCOCCC(=O)O 4d70a4bce8840eff55803b219a083b32 [0,2,0,0,0,0|0,0,2]=4 4000 B9R0.2 C=CCCOCCC(C)C 792c9a1755bacca74235abb3c322c011 [0,2,0,0,0,0|1,0,0]=3 4001 B9R0.2 C=CCCOCCC(F)F f03c1f544fe77b2c45906fa366810b66 [0,2,0,0,0,0|2,0,0]=4 4002 B9R0.2 C=CCCOCCN(C)C 923323255e87afbaf59a0bb53c2394c5 [0,2,0,0,0,0|2,0,0]=4 4003 B9R0.2 C=CCCOCCS(=O)C 6c2eb61b2a3bbb2e7a5a30de108d3a8d [0,2,0,0,0,0|2,0,0]=4 4004 B9R0.2 C=CCCOCOC(C)C 06614be4eddf16a0020962a5e7b5b398 [0,2,0,0,0,0|2,0,0]=4 4005 B9R0.2 C=CCNCCCC(=O)N d7d54590933421a302fe06ba923c08bd [0,2,0,0,0,0|0,0,2]=4 4006 B9R0.2 C=CCNCCCC(=O)O 524c2ab7faae5f35e54c1740aff30774 [0,2,0,0,0,0|0,0,2]=4 4007 B9R0.2 C=CCNCCCC(C)C b5ede8a56364bb106084a5388e2bd2f9 [0,2,0,0,0,0|1,0,0]=3 4008 B9R0.2 C=CCNCCCN(C)C 3510572f1249fd8e067be16ad9190588 [0,2,0,0,0,0|2,0,0]=4 4009 B9R0.2 C=CCNCCCS(=O)C 5fc5523f2278ae2710f882ee0c7db7d4 [0,2,0,0,0,0|2,0,0]=4 4010 B9R0.2 C=CCNCCOC(C)C 723d705203d35c2621e6c781ea5ffddf [0,2,0,0,0,0|2,0,0]=4 4011 B9R0.2 C=CCOCCCC(=C)C 76e95f7e92154fd318395db4b0cdc1dd [0,2,0,0,0,0|1,0,1]=4 4012 B9R0.2 C=CCOCCCC(=O)C 7c50ee2dd017285f672ea091a47723d2 [0,2,0,0,0,0|0,0,2]=4 4013 B9R0.2 C=CCOCCCC(=O)N c9f1b7b97de59f816cade2621052d370 [0,2,0,0,0,0|0,0,2]=4 4014 B9R0.2 C=CCOCCCC(C)C ce1ea84c12026359cf2725f08aa7a070 [0,2,0,0,0,0|1,0,0]=3 4015 B9R0.2 C=CCOCCCN(C)C 91a5e5763d7633b0a06ea1c39345bbda [0,2,0,0,0,0|2,0,0]=4 4016 B9R0.2 C=CCOCCOC(C)C 64e038ab048ac5eba8efb42f7a120613 [0,2,0,0,0,0|2,0,0]=4 4017 B9R0.2 C=CCOCCSC(C)C 75d998ca421b16afe4184cffadd19bdf [0,2,0,0,0,0|2,0,0]=4 4018 B9R0.2 C=COCCCNC(C)C 777c7d2dfc8abf56f3a7c2b52ce50716 [0,2,0,0,0,0|2,0,0]=4 4019 B9R0.2 C=COCCNCC(C)C a06e4680115927d5360f337be7af0873 [0,2,0,0,0,0|2,0,0]=4 4020 B9R0.2 C=COCCNCC(C)O 789be98f12e5b0a06a59a99695d75afb [0,2,0,0,0,0|2,0,0]=4 4021 B9R0.2 C=COCCNC[C@@H](C)O 987571217d13fe5ab112e0581a2d3587 [0,2,0,0,0,0|2,0,0]=4 4022 B9R0.2 C=COCCNC[C@H](C)O 645d83b788089bb4ef88c7b87cc7e56a [0,2,0,0,0,0|2,0,0]=4 4023 B9R0.2 C=COCCOCC(C)C 037c83e0afa78f2fb0f987f38801cc5b [0,2,0,0,0,0|2,0,0]=4 4024 B9R0.2 CC#CCCOCC(=O)N bc9abb0a0ba18b9bab73788c80785feb [0,2,0,0,0,0|0,0,2]=4 4025 B9R0.2 CC#CCCOCC(=O)O ee60ee9c54d89ce6a41b3081a53bfa26 [0,2,0,0,0,0|0,0,2]=4 4026 B9R0.2 CC#CCNCCC(=O)C f3d87c769e5454e79e92da2d21a3cce6 [0,2,0,0,0,0|0,0,2]=4 4027 B9R0.2 CC#CCNCCC(=O)N ebcbe67b7bd6348e345cddf9035f7f51 [0,2,0,0,0,0|0,0,2]=4 4028 B9R0.2 CC#CCNCCC(=O)O 131bf136c72ef6e324723e1b324707ae [0,2,0,0,0,0|0,0,2]=4 4029 B9R0.2 CC#CCOCCC(=O)C e76a7e30c29f6f089c48b0c3f868f2dc [0,2,0,0,0,0|0,0,2]=4 4030 B9R0.2 CC#CCOCCC(=O)N df127a1b63c7f132a7dbab5c374a339f [0,2,0,0,0,0|0,0,2]=4 4031 B9R0.2 CC#CCOCCC(=O)O 5ac07d6c3659090ccf8b4b71d487a81f [0,2,0,0,0,0|0,0,2]=4 4032 B9R0.2 CC(=CCNCCC=O)C fbb1abdcc4e6e1f4343373963519f1b9 [0,2,0,0,0,0|0,0,2]=4 4033 B9R0.2 CC(=CCOCCC=O)C 9ff67f535193b4420c7c73bfaac540fd [0,2,0,0,0,0|0,0,2]=4 4034 B9R0.2 CC(=CCOCCC=O)Cl dd4ca7433f0bb8d9a73c6b0f82014ea6 [0,2,0,0,0,0|0,0,2]=4 4035 B9R0.2 CC(=CCOCCC=O)I ae16063a1fbd785d2668e0cea654bfb3 [0,2,0,0,0,0|0,0,2]=4 4036 B9R0.2 CC(=O)CCCCNC#N b99e4a4b37bc351dc1ba90cb4e87757b [0,2,0,0,0,0|1,0,1]=4 4037 B9R0.2 CC(=O)CCCCOCF 0d33928de36c1d78d8eec5a2c9d669de [0,2,0,0,0,0|1,0,0]=3 4038 B9R0.2 CC(=O)CCCNCC#N ff3d6d942589238537f722daefbf213d [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.2 CC(=O)CCCNCCBr 1e005c174e2bef64faf35d14b6a15eea [0,2,0,0,0,0|1,0,0]=3 4040 B9R0.2 CC(=O)CCCNCCF 9a338bc1bad25f0148e24f3766691141 [0,2,0,0,0,0|1,0,0]=3 4041 B9R0.2 CC(=O)CCCNCCI af38eb95e88d6a5b58dd1b2dbaca4ac4 [0,2,0,0,0,0|1,0,0]=3 4042 B9R0.2 CC(=O)CCCNCCO 047c4ea1e2699a309316392bf693b2f3 [0,2,0,0,0,0|1,0,0]=3 4043 B9R0.2 CC(=O)CCCNCCS e726854461e235aec0dd95b143ec9df5 [0,2,0,0,0,0|1,0,0]=3 4044 B9R0.2 CC(=O)CCCOCC#N caf3bb89150326b8ed85d677acf64490 [0,2,0,0,0,0|1,0,1]=4 4045 B9R0.2 CC(=O)CCCOCC=O 7ff95c1b28ea07d48ab7c219ca5a33c9 [0,2,0,0,0,0|0,0,1]=3 4046 B9R0.2 CC(=O)CCCOCCF 8be6dab59aed4b188d6918cf109dee02 [0,2,0,0,0,0|1,0,0]=3 4047 B9R0.2 CC(=O)CCCOCCS 3982bfab81dc2189a86b86f7de9c7da1 [0,2,0,0,0,0|1,0,0]=3 4048 B9R0.2 CC(=O)CCNCCC#N c31cd27b094f002c29d8712160ff7749 [0,2,0,0,0,0|1,0,1]=4 4049 B9R0.2 CC(=O)CCNCCCCl 32ce94381c16df5d46d44616cf0bee6a [0,2,0,0,0,0|1,0,0]=3 4050 B9R0.2 CC(=O)CCNCCCO 41ab0e7b58a0373c2b6f1dd023df8651 [0,2,0,0,0,0|1,0,0]=3 4051 B9R0.2 CC(=O)CCNCCON 9bd97024ba9f3f633d947f18f3f9b348 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.2 CC(=O)CCOCCC#N abcf2575f82c8fd6a857dd87387e2243 [0,2,0,0,0,0|1,0,1]=4 4053 B9R0.2 CC(=O)CCOCCC=O 9224f481da653bff9a4e2ad03dac676e [0,2,0,0,0,0|0,0,1]=3 4054 B9R0.2 CC(=O)CCOCCCF a3645cce14ff471e4950eb3d53ebfd63 [0,2,0,0,0,0|1,0,0]=3 4055 B9R0.2 CC(=O)CCOCCCS 810c89f99c573084959f96ce51de3f91 [0,2,0,0,0,0|1,0,0]=3 4056 B9R0.2 CC(=O)CNCCCC#N 05b19c126e792c52758658329df9a7a5 [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.2 CC(=O)CNCCCC=O 026ef0e39501edf9371f673edca5b759 [0,2,0,0,0,0|0,0,1]=3 4058 B9R0.2 CC(=O)CNCCCCF 43ea4e8083d24c4c3ef19587abf733a4 [0,2,0,0,0,0|1,0,0]=3 4059 B9R0.2 CC(=O)CNCCCCO 96082e5297f4b4820c770800699f2247 [0,2,0,0,0,0|1,0,0]=3 4060 B9R0.2 CC(=O)COCCCC#N fa01b7de97b1d6402f22396109ad9d8d [0,2,0,0,0,0|1,0,1]=4 4061 B9R0.2 CC(=O)COCCCC=O 0d2ce7c0ebccca7ce340f634fa8c3eb5 [0,2,0,0,0,0|0,0,1]=3 4062 B9R0.2 CC(=O)COCCCCF 3914679278dfa87c5ec7633c52c8c323 [0,2,0,0,0,0|1,0,0]=3 4063 B9R0.2 CC(=O)NCCCCC#N 480c9a37c58edee24bbae98d4ead4810 [0,2,0,0,0,0|1,0,1]=4 4064 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [0,2,0,0,0,0|1,0,0]=3 4065 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [0,2,0,0,0,0|1,0,0]=3 4066 B9R0.2 CC(=O)NCCCNC=O 5fbc3ba2791f885f7e7155f5fab225dd [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.2 CC(=O)NCCCNCF 62bca42e02ab81a45e4ff0c6351abf93 [0,2,0,0,0,0|2,0,0]=4 4068 B9R0.2 CC(=O)NCCCNCO 328911bf7c359f53194dbd7fe75621ee [0,2,0,0,0,0|2,0,0]=4 4069 B9R0.2 CC(=O)NCCCOCF d7af484a45d939e567ed9be2fdfcef29 [0,2,0,0,0,0|2,0,0]=4 4070 B9R0.2 CC(=O)NCCNCC=O fb7b8d1cfd0556a7fb93d0ed1460f299 [0,2,0,0,0,0|1,0,1]=4 4071 B9R0.2 CC(=O)NCCNCCBr 0bc3c8d5066d4aa33943e4b0857cf6c6 [0,2,0,0,0,0|2,0,0]=4 4072 B9R0.2 CC(=O)NCCNCCF e5a148d466ee8bdd46e3f53193cd7c0f [0,2,0,0,0,0|2,0,0]=4 4073 B9R0.2 CC(=O)NCCNCCI 0d9e6b7a4537c1ae78381a1cc3fc3767 [0,2,0,0,0,0|2,0,0]=4 4074 B9R0.2 CC(=O)NCCNCCO bfd2a90f03ebdd248fdc140ab742c195 [0,2,0,0,0,0|2,0,0]=4 4075 B9R0.2 CC(=O)NCCNCCS 6c81a4371e671e42fa414011bb868b73 [0,2,0,0,0,0|2,0,0]=4 4076 B9R0.2 CC(=O)NCCOCC=O c892a19c2819f0f7d72506ae5c84fa91 [0,2,0,0,0,0|1,0,1]=4 4077 B9R0.2 CC(=O)NCCOCCF 0973cce223af140d06d4871f0bda3943 [0,2,0,0,0,0|2,0,0]=4 4078 B9R0.2 CC(=O)NCCOCCO 57d4166bc7f64eeb4fe6b2614e2e763f [0,2,0,0,0,0|2,0,0]=4 4079 B9R0.2 CC(=O)NCCOCCS fc352a6fdb39855a43a3d0ad8c15f379 [0,2,0,0,0,0|2,0,0]=4 4080 B9R0.2 CC(=O)NCCSCCO 0bd987c0ecd20e315a5e853d68c36be8 [0,2,0,0,0,0|2,0,0]=4 4081 B9R0.2 CC(=O)NCOCCC=O cfaee0e8255546514b3b86f54b6379bc [0,2,0,0,0,0|1,0,1]=4 4082 B9R0.2 CC(=O)NCOCCCF deaf5b1d0ef27ef962c2ca811a35a90c [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.2 CC(=O)NCOCCCS d023d019387fabb31bb318524e9f4455 [0,2,0,0,0,0|2,0,0]=4 4084 B9R0.2 CC(=O)OCCCOCF 839300b4a23ae7f13d770824ad5ba603 [0,2,0,0,0,0|2,0,0]=4 4085 B9R0.2 CC(=O)OCCNCCBr 86e70651e2ef68f3f2552b68c9fd9535 [0,2,0,0,0,0|2,0,0]=4 4086 B9R0.2 CC(=O)OCCNCCF bec963d44f70641aefa68f79b9e9f243 [0,2,0,0,0,0|2,0,0]=4 4087 B9R0.2 CC(=O)OCCNCCI 512fc7b78f65a98aaa9b5a24a55dd29e [0,2,0,0,0,0|2,0,0]=4 4088 B9R0.2 CC(=O)OCCNCCO fbc6a9b22162aa146956efcd3fed83de [0,2,0,0,0,0|2,0,0]=4 4089 B9R0.2 CC(=O)OCCNCCS 0d342b6bb6a97266d2b38620542a908c [0,2,0,0,0,0|2,0,0]=4 4090 B9R0.2 CC(=O)OCCOCC=O 50de9809b657b57c3e7b1c5e62714176 [0,2,0,0,0,0|1,0,1]=4 4091 B9R0.2 CC(=O)OCCOCCF 5233cd269967a92f3e4bf92bf7bbcb9d [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.2 CC(=O)OCCOCCS 63ea2c4adc5d14c13c2d8bc53161cf6c [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.2 CC(=O)OCNCCCCl 4c34a9d20da691b9859482fc9219ac0e [0,2,0,0,0,0|2,0,0]=4 4094 B9R0.2 CC(=O)OCNCCCO 89aaf0a95b5cea62d4321235936deeff [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.2 CC(=O)OCOCCC=O 43928999cc7dc7f483ee6ebbcfb96c99 [0,2,0,0,0,0|1,0,1]=4 4096 B9R0.2 CC(=O)OCOCCCF 2bfb3b9762b06c6017d0cd676ab47db2 [0,2,0,0,0,0|2,0,0]=4 4097 B9R0.2 CC(=O)OCOCCCS 3586e68ace2929307ff5b4a00f63eae7 [0,2,0,0,0,0|2,0,0]=4 4098 B9R0.2 CC(=O)SCCCOCF ecb8a4614547fadbca0fb1f1162b5bb0 [0,2,0,0,0,0|2,0,0]=4 4099 B9R0.2 CC(=O)SCCNCCBr 28247f14417b5defeb7e6bdd7dd5021d [0,2,0,0,0,0|2,0,0]=4 4100 B9R0.2 CC(=O)SCCNCCF 835856e3f2db7662391fc6484f38c8cb [0,2,0,0,0,0|2,0,0]=4 4101 B9R0.2 CC(=O)SCCNCCI fcdbc2d86c2b5cb0212add9d1e2bb2ea [0,2,0,0,0,0|2,0,0]=4 4102 B9R0.2 CC(=O)SCCNCCO f793beb03d64f0dfcb25ac2a3004ffc4 [0,2,0,0,0,0|2,0,0]=4 4103 B9R0.2 CC(=O)SCCNCCS a8b4ffd28b3fdb169094ab15c01c2bf5 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.2 CC(=O)SCCOCCF 97f7396d15109ed2126bfd23c7da33fa [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.2 CC(=O)SCCOCCS 749ecc917cc404f091b4a3e262baed35 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.2 CC(C)CCCCNC#N 1242c48e0c820bb84a12528de0d94345 [0,2,0,0,0,0|1,0,1]=4 4107 B9R0.2 CC(C)CCCCOCF f3b722f8d58182c1fd9af9438362dbc9 [0,2,0,0,0,0|1,0,1]=4 4108 B9R0.2 CC(C)CCCNCC#N 4e317172e02a59795a7fe9ce476ff6ce [0,2,0,0,0,0|1,0,1]=4 4109 B9R0.2 CC(C)CCCNCC=O a9635929cb5f6673003ac83cb324a189 [0,2,0,0,0,0|0,0,0]=2 4110 B9R0.2 CC(C)CCCNCCBr b7d6416d41a8d8b043114eb9d25fd084 [0,2,0,0,0,0|1,0,1]=4 4111 B9R0.2 CC(C)CCCNCCF cae69e3d43f52e964c9ca30c89572657 [0,2,0,0,0,0|1,0,1]=4 4112 B9R0.2 CC(C)CCCNCCI 90c8ce226d0260d0967afa2e501e2135 [0,2,0,0,0,0|1,0,1]=4 4113 B9R0.2 CC(C)CCCNCCO 792143707f2bda6c4365b4fdbb4b413c [0,2,0,0,0,0|0,0,2]=4 4114 B9R0.2 CC(C)CCCNCCS 1447d71bb66626d0b32a83f48256250f [0,2,0,0,0,0|0,1,1]=4 4115 B9R0.2 CC(C)CCCOCC#N 06fd618c8b5ab386cf0bc20f93792d42 [0,2,0,0,0,0|1,0,1]=4 4116 B9R0.2 CC(C)CCCOCC=O bdd24f9b5eb3e927a3ba2032fbfb17f1 [0,2,0,0,0,0|0,0,0]=2 4117 B9R0.2 CC(C)CCCOCCF 28b58f2b3681d1d6fee121e2a302200f [0,2,0,0,0,0|1,0,1]=4 4118 B9R0.2 CC(C)CCCOCCS b10e3a2d8503d5801319565b78445a81 [0,2,0,0,0,0|0,1,1]=4 4119 B9R0.2 CC(C)CCNC/C=C/Cl 237c4c2d86dbbf51ce3c729051957e8a [0,2,0,0,0,0|1,0,1]=4 4120 B9R0.2 CC(C)CCNC/C=C\Cl 57ecff21590177c88dd60c5ab53d0780 [0,2,0,0,0,0|1,0,1]=4 4121 B9R0.2 CC(C)CCNC/C=C\O 4a69f39b034ff59b8a1dc33249998561 [0,2,0,0,0,0|0,0,2]=4 4122 B9R0.2 CC(C)CCNCCC#N a8ba0cfbf81f9306d3d43fcb36417d99 [0,2,0,0,0,0|1,0,1]=4 4123 B9R0.2 CC(C)CCNCCC=O 3b8ed8b8e431e36419922df1c8d0950c [0,2,0,0,0,0|0,0,0]=2 4124 B9R0.2 CC(C)CCNCCCCl 6b9795fdcd9da3d8230813c028ca1ec2 [0,2,0,0,0,0|1,0,1]=4 4125 B9R0.2 CC(C)CCNCCCF 854a9911ee43659052fd5caa66875a1b [0,2,0,0,0,0|1,0,1]=4 4126 B9R0.2 CC(C)CCNCCCO eca7ad0d2c54b51c5aaeb877cb5ad346 [0,2,0,0,0,0|0,0,2]=4 4127 B9R0.2 CC(C)CCNCCCS d0e9b2be9c31cc9392ea5d1d479cedc9 [0,2,0,0,0,0|0,1,1]=4 4128 B9R0.2 CC(C)CCNCCON e6d68c30b69f2e5a09dd189141306876 [0,2,0,0,0,0|2,0,0]=4 4129 B9R0.2 CC(C)CCOC/C=C/Cl af36774aea6890b49c96e57bfbd85829 [0,2,0,0,0,0|1,0,1]=4 4130 B9R0.2 CC(C)CCOC/C=C\Cl 14694a3bf1719ab61da2a1bcc432778d [0,2,0,0,0,0|1,0,1]=4 4131 B9R0.2 CC(C)CCOCC=CCl 2319fde1b40d065e576c3f130ba40a66 [0,2,0,0,0,0|1,0,1]=4 4132 B9R0.2 CC(C)CCOCCC#N cba9363079b4448bc2de1026c400eed1 [0,2,0,0,0,0|1,0,1]=4 4133 B9R0.2 CC(C)CCOCCC=O 35e5fe09d7f172e01a3fc9fb57f41a74 [0,2,0,0,0,0|0,0,0]=2 4134 B9R0.2 CC(C)CCOCCCF a4554d12916afd4836094e430ac63586 [0,2,0,0,0,0|1,0,1]=4 4135 B9R0.2 CC(C)CCOCCCS 35237afc9f97d012e4f412033cf35c90 [0,2,0,0,0,0|0,1,1]=4 4136 B9R0.2 CC(C)CNCCCC#N 9757a1cd3c6d31a763b0a980e8b50425 [0,2,0,0,0,0|1,0,1]=4 4137 B9R0.2 CC(C)CNCCCC=O 872fc89896121b754faaba603a4d1689 [0,2,0,0,0,0|0,0,0]=2 4138 B9R0.2 CC(C)CNCCCCCl 49fd4c9a71162fd6b2f70088d0181735 [0,2,0,0,0,0|1,0,1]=4 4139 B9R0.2 CC(C)CNCCCCF e7f9801ea8cad354b21faeda1d8bea21 [0,2,0,0,0,0|1,0,1]=4 4140 B9R0.2 CC(C)CNCCCCO 7cb286cfe0c029d2c875a40ca4fb0b64 [0,2,0,0,0,0|0,0,2]=4 4141 B9R0.2 CC(C)CNCCCCS 978ebd80591bd184a3aacb24e93c8325 [0,2,0,0,0,0|0,1,1]=4 4142 B9R0.2 CC(C)COC/C=C/C=O b3ff38c430c3f3c2547e5bad8ed5ab62 [0,2,0,0,0,0|0,0,2]=4 4143 B9R0.2 CC(C)COCCCC#N fda07a0b2ce0eb63e044b2c76009e434 [0,2,0,0,0,0|1,0,1]=4 4144 B9R0.2 CC(C)COCCCC=O 9c821c872d407f7f9bdf7808cd327ff2 [0,2,0,0,0,0|0,0,0]=2 4145 B9R0.2 CC(C)COCCCCF 0ed604d83fff1859e13ea9542d6149c8 [0,2,0,0,0,0|1,0,1]=4 4146 B9R0.2 CC(C)COCCCCS b91b5ae0f889fae70c66f0e116827c8d [0,2,0,0,0,0|0,1,1]=4 4147 B9R0.2 CC(C)COCCNC=O a0952173bb62da1f84f22c4def655b76 [0,2,0,0,0,0|1,0,0]=3 4148 B9R0.2 CC(C)COCCOC=O 93375745bf75f1308b2bac5c5e314bd3 [0,2,0,0,0,0|1,0,0]=3 4149 B9R0.2 CC(C)NCCCCC#N eeaa33de60e123c1cab3218057d6f3f1 [0,2,0,0,0,0|1,0,1]=4 4150 B9R0.2 CC(C)NCCCCCCl bee779e3cc64d70579426dc97c87cffd [0,2,0,0,0,0|1,0,1]=4 4151 B9R0.2 CC(C)NCCCCCO 1f208d8ec5575ad2e5d4dc53dbb64198 [0,2,0,0,0,0|0,0,2]=4 4152 B9R0.2 CC(C)OCCCCC#N d74d508266f0e626a6dd13d3e1859b6d [0,2,0,0,0,0|1,0,1]=4 4153 B9R0.2 CC(C)OCCCCC=O 2da322abd65c1cb61d17df904562e2b4 [0,2,0,0,0,0|0,0,0]=2 4154 B9R0.2 CC(C)OCCCCCF de570b03f4663d12bf011a0cae3168fb [0,2,0,0,0,0|1,0,1]=4 4155 B9R0.2 CC(C)OCCCNC=O e96409307329684ed58a23e721f30ca6 [0,2,0,0,0,0|1,0,0]=3 4156 B9R0.2 CC(C)OCCNCC=O 1a7a2cf22052b650c8e58252eaeb1cb4 [0,2,0,0,0,0|1,0,0]=3 4157 B9R0.2 CC(C)OCCOCC=O c04cf462a61c105059017408cf9c4096 [0,2,0,0,0,0|1,0,0]=3 4158 B9R0.2 CC(C)OCOCCC=O 66572ae7050e7e05d12f1f1921ab4ac8 [0,2,0,0,0,0|1,0,0]=3 4159 B9R0.2 CC(C)SCCCNC=O df15df0d049edf2c640ed4bbc56cdc64 [0,2,0,0,0,0|1,0,0]=3 4160 B9R0.2 CC(C)SCCOCC=O ec08f3bf045b5d5c092598851c9109d0 [0,2,0,0,0,0|1,0,0]=3 4161 B9R0.2 CC(F)COCCCC#N a577bff15262b78c5571ffe3bd37ee41 [0,2,0,0,0,0|1,0,1]=4 4162 B9R0.2 CC(F)COCCCC=O 45096cdcd588570c1ee49532928d3413 [0,2,0,0,0,0|0,0,0]=2 4163 B9R0.2 CC(F)COCCCCF 68691b98914085f897da4c603cce3788 [0,2,0,0,0,0|1,0,1]=4 4164 B9R0.2 CC(O)CCCCNC#N 11e0f99c41a2a384afee543e253a1327 [0,2,0,0,0,0|1,0,1]=4 4165 B9R0.2 CC(O)CCCNCC#N 836b54784ddf1587ea2d25f15d386ba2 [0,2,0,0,0,0|1,0,1]=4 4166 B9R0.2 CC(O)CCCNCCBr 846a80d7bd351c20925246d05170fa0a [0,2,0,0,0,0|1,0,1]=4 4167 B9R0.2 CC(O)CCCNCCF c8e3887a2439ccb3592fe170015fe6da [0,2,0,0,0,0|1,0,1]=4 4168 B9R0.2 CC(O)CCCNCCI d049963d4683c730c11fc2ac87702d47 [0,2,0,0,0,0|1,0,1]=4 4169 B9R0.2 CC(O)CCCNCCO 0303877d92750e8a64756316fc4bb9e6 [0,2,0,0,0,0|0,0,2]=4 4170 B9R0.2 CC(O)CCCNCCS c6438b2d80c9f6ff85d85ecf0e281737 [0,2,0,0,0,0|0,1,1]=4 4171 B9R0.2 CC(O)CCNC/C=C/Cl 546879a594189518144ae918726d162f [0,2,0,0,0,0|1,0,1]=4 4172 B9R0.2 CC(O)CCNC/C=C\Cl 79a004624e9fc87324e6b348bbbbff64 [0,2,0,0,0,0|1,0,1]=4 4173 B9R0.2 CC(O)CCNC/C=C\O 96a542151eb72c27d8a3b50be68db1b4 [0,2,0,0,0,0|0,0,2]=4 4174 B9R0.2 CC(O)CCNCCC#N 17e401287e2e9fd61a8e44f6e079313c [0,2,0,0,0,0|1,0,1]=4 4175 B9R0.2 CC(O)CCNCCC=O dad92ac32d5c5e0bc77e419c63b4a071 [0,2,0,0,0,0|0,0,0]=2 4176 B9R0.2 CC(O)CCNCCCCl 0a32bed6279f094ef9401ca250c5ffa2 [0,2,0,0,0,0|1,0,1]=4 4177 B9R0.2 CC(O)CCNCCCF 9569faec1da967f7c66c5e0a60d104de [0,2,0,0,0,0|1,0,1]=4 4178 B9R0.2 CC(O)CCNCCCO 87acb0957134460d35e20a94643a56a5 [0,2,0,0,0,0|0,0,2]=4 4179 B9R0.2 CC(O)CCNCCCS c89ad0b413e9833571309ce26aa67448 [0,2,0,0,0,0|0,1,1]=4 4180 B9R0.2 CC(O)CCNCCON c5db7f8ce1262cf7d16acc7e21e81570 [0,2,0,0,0,0|2,0,0]=4 4181 B9R0.2 CC(O)CNCCCC#N 41c7b65fd390c847540f5716c4187c36 [0,2,0,0,0,0|1,0,1]=4 4182 B9R0.2 CC(O)CNCCCC=O daeba85824bf9b8a7fe9f07668cb65d2 [0,2,0,0,0,0|0,0,0]=2 4183 B9R0.2 CC(O)CNCCCCCl 65186c06faac50c9aeb9e91831d3a163 [0,2,0,0,0,0|1,0,1]=4 4184 B9R0.2 CC(O)CNCCCCF b87c1fb327b802173c8612462c330132 [0,2,0,0,0,0|1,0,1]=4 4185 B9R0.2 CC(O)CNCCCCO ce2dc7373bb7b816c2a9a5d12a2b9a76 [0,2,0,0,0,0|0,0,2]=4 4186 B9R0.2 CC(O)CNCCCCS 730d016fdad462f5c9daec1e7d2aec50 [0,2,0,0,0,0|0,1,1]=4 4187 B9R0.2 CC(S)COCCCC#N 82e0b51bbd8d6067959aa1f073a1c9c4 [0,2,0,0,0,0|1,0,1]=4 4188 B9R0.2 CC(S)COCCCC=O 2376ada453809bf361ec74ea138f968f [0,2,0,0,0,0|0,0,0]=2 4189 B9R0.2 CC(S)COCCCCF a79b3a7e2e3a1b77a14a54e74221c7c0 [0,2,0,0,0,0|1,0,1]=4 4190 B9R0.2 CC/C=C/CNCC(=O)C bb03016005aff92d60de25a5fb2dde7e [0,2,0,0,0,0|0,0,2]=4 4191 B9R0.2 CC/C=C/CNCC(=O)N 48059c8d89eacab83d2ef80706455f01 [0,2,0,0,0,0|0,0,2]=4 4192 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [0,2,0,0,0,0|0,0,2]=4 4193 B9R0.2 CC/C=C/COCC(=O)C 5aaebc977bb6e5ae3b7dabe2f590edd8 [0,2,0,0,0,0|0,0,2]=4 4194 B9R0.2 CC/C=C/COCC(=O)N 713c914f23ecec665a855260c3f6940a [0,2,0,0,0,0|0,0,2]=4 4195 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,2,0,0,0,0|0,0,2]=4 4196 B9R0.2 CC/C=C\COCC(=O)N 52f4757b5a31ccc4a1fcfe8b24404167 [0,2,0,0,0,0|0,0,2]=4 4197 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,2,0,0,0,0|0,0,2]=4 4198 B9R0.2 CC=CCCCOC(C)C bcd3c94650ce96d4f8b907ca64f1eb00 [0,2,0,0,0,0|1,0,1]=4 4199 B9R0.2 CC=CCNCCC(=O)C 35fd160582ff98ad73df55f025e71a01 [0,2,0,0,0,0|0,0,2]=4 4200 B9R0.2 CC=CCNCCC(=O)N cf9f0a2d0106defcb5146d803c4dc168 [0,2,0,0,0,0|0,0,2]=4 4201 B9R0.2 CC=CCNCCC(=O)O 5c13e7fcfabbe27240aa9f1486a09b86 [0,2,0,0,0,0|0,0,2]=4 4202 B9R0.2 CC=CCNCCC(C)C 9a4b1ab370306d604a9d3deec3abbe53 [0,2,0,0,0,0|1,0,1]=4 4203 B9R0.2 CC=CCNCCC(C)O da50ff235f5b0725b75ee0d58d7c04ce [0,2,0,0,0,0|1,0,1]=4 4204 B9R0.2 CC=CCOCCC(=O)C 443b60d752a4c425d5fcb35df4bd4e1f [0,2,0,0,0,0|0,0,2]=4 4205 B9R0.2 CC=CCOCCC(=O)N d78c99ebbe8ef49cc4ff16be18b2d3f9 [0,2,0,0,0,0|0,0,2]=4 4206 B9R0.2 CC=CCOCCC(=O)O 34847ee459642c229d44db8cb0176d10 [0,2,0,0,0,0|0,0,2]=4 4207 B9R0.2 CC=CCOCCC(C)C 6a4ac7fe69724da0bd8975ee85d858c6 [0,2,0,0,0,0|1,0,1]=4 4208 B9R0.2 CCC#CCNCC(=O)N 65e479d571798659f338d6f6230f5711 [0,2,0,0,0,0|0,0,2]=4 4209 B9R0.2 CCC#CCOCC(=O)N d2629aaab215be83b0539498e1c6b9ae [0,2,0,0,0,0|0,0,2]=4 4210 B9R0.2 CCC#CCOCC(=O)O abd394d0e091b202a9408b79384836eb [0,2,0,0,0,0|0,0,2]=4 4211 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [0,2,0,0,0,0|0,0,0]=2 4212 B9R0.2 CCCCCCNC(C)C b4470bdb41ca94cf2ace2a9a22274307 [0,2,0,0,0,0|1,0,1]=4 4213 B9R0.2 CCCCCCOC(C)C 7177762ff96f664d7658fbf17ddec082 [0,2,0,0,0,0|1,0,1]=4 4214 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [0,2,0,0,0,0|0,0,0]=2 4215 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [0,2,0,0,0,0|0,0,0]=2 4216 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [0,2,0,0,0,0|0,0,0]=2 4217 B9R0.2 CCCCCNCC(C)C 2a266c7fc85c9a2097a02175858c3e33 [0,2,0,0,0,0|1,0,1]=4 4218 B9R0.2 CCCCCNCC(C)O 9e9132e8083003550d3545b55a454f7b [0,2,0,0,0,0|0,0,2]=4 4219 B9R0.2 CCCCCNCC(F)F 546ed23aa626cb81583b04244998e9ea [0,2,0,0,0,0|1,0,1]=4 4220 B9R0.2 CCCCCNCN(C)C cc00a7884694b92aef8507ef5e7e7b05 [0,2,0,0,0,0|2,0,0]=4 4221 B9R0.2 CCCCCNC[C@@H](C)O 089be76a49b8d969c37e3bf761f099cf [0,2,0,0,0,0|0,0,2]=4 4222 B9R0.2 CCCCCNC[C@H](C)O 5a490e8ff74a89416bf9c7c48d9e8ab5 [0,2,0,0,0,0|0,0,2]=4 4223 B9R0.2 CCCCCNC[N+](=O)[O-] 4ffec53d6d65ed1a475cd4f2a3234fbe [0,2,0,0,0,0|1,0,0]=3 4224 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [0,2,0,0,0,0|0,0,0]=2 4225 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [0,2,0,0,0,0|0,0,0]=2 4226 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [0,2,0,0,0,0|0,0,0]=2 4227 B9R0.2 CCCCCOCC(=S)N 2157e345254c9ce27b0fedd6edd60b5b [0,2,0,0,0,0|0,1,0]=3 4228 B9R0.2 CCCCCOCC(C)C a6db06e9998ef0b98995e61e46447184 [0,2,0,0,0,0|1,0,1]=4 4229 B9R0.2 CCCCCOCC(C)F eea869a5391d0127cad74008c90486f9 [0,2,0,0,0,0|1,0,1]=4 4230 B9R0.2 CCCCCOCC(C)S 1bb6ad855d7b5438b56773aa5b3dc08b [0,2,0,0,0,0|0,1,1]=4 4231 B9R0.2 CCCCCOCC(F)F 7959a5412761a52345173213c0a3fe31 [0,2,0,0,0,0|1,0,1]=4 4232 B9R0.2 CCCCCOCN(C)C b0d8f24f2252be6a84119d1d5f4bf089 [0,2,0,0,0,0|2,0,0]=4 4233 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [0,2,0,0,0,0|1,0,0]=3 4234 B9R0.2 CCCCCOC[C@@H](C)F 9a29c6c5b8fac1212082a3622373ef64 [0,2,0,0,0,0|1,0,1]=4 4235 B9R0.2 CCCCCOC[C@H](C)F 994b6cd7a84a65d29551f84dadbfb8db [0,2,0,0,0,0|1,0,1]=4 4236 B9R0.2 CCCCCOC[N+](=O)[O-] 7029c11439826706543058f3e0154ee4 [0,2,0,0,0,0|1,0,0]=3 4237 B9R0.2 CCCCNC/C=C(/C)\I 96ab734b7ce21482610c71b6ec7a0087 [0,2,0,0,0,0|1,0,1]=4 4238 B9R0.2 CCCCNC/C=C(\C)/Cl cc815245be4b93926fd334c586089c95 [0,2,0,0,0,0|1,0,1]=4 4239 B9R0.2 CCCCNCC=C(C)C fecf7e997f5d1af1b094a02b011b0ef1 [0,2,0,0,0,0|1,0,1]=4 4240 B9R0.2 CCCCNCC=C(C)Cl 2e3d05b023f03cd9b003c981af64ea51 [0,2,0,0,0,0|1,0,1]=4 4241 B9R0.2 CCCCNCC=C(C)I 30884b68d06af4a4b3dead6018681c13 [0,2,0,0,0,0|1,0,1]=4 4242 B9R0.2 CCCCNCC=C(Cl)Cl c4cb9460d98eafb7c67ffb885b4343a6 [0,2,0,0,0,0|1,0,1]=4 4243 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [0,2,0,0,0,0|0,0,0]=2 4244 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [0,2,0,0,0,0|0,0,0]=2 4245 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [0,2,0,0,0,0|0,0,0]=2 4246 B9R0.2 CCCCNCCC(=S)N 7a74028cfb8507b34fa2a8c0010aaa96 [0,2,0,0,0,0|0,1,0]=3 4247 B9R0.2 CCCCNCCC(C)C 44a9470711d30a7f4f911ef0e5708bda [0,2,0,0,0,0|1,0,1]=4 4248 B9R0.2 CCCCNCCC(C)O a3707e567169e0cb89818b82dd0db2ad [0,2,0,0,0,0|0,0,2]=4 4249 B9R0.2 CCCCNCCC(F)F f6b630447e80f020d036db13b3666b19 [0,2,0,0,0,0|1,0,1]=4 4250 B9R0.2 CCCCNCCN(C)C 276e58670905c90d29cab37bd4cde7f0 [0,2,0,0,0,0|2,0,0]=4 4251 B9R0.2 CCCCNCCS(=O)C ae9a13c0fc24ec4aec99b86861ef96f8 [0,2,0,0,0,0|1,0,0]=3 4252 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [0,2,0,0,0,0|1,0,0]=3 4253 B9R0.2 CCCCNCC[C@@H](C)O b4194f7259d3966751a8302ac0afc5f6 [0,2,0,0,0,0|0,0,2]=4 4254 B9R0.2 CCCCNCC[C@H](C)O 2bd9e0d91881457396737c14485be5ce [0,2,0,0,0,0|0,0,2]=4 4255 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [0,2,0,0,0,0|1,0,0]=3 4256 B9R0.2 CCCCNCSC(=O)N c68e80692e27dc4bcd1af702e7ea36a7 [0,2,0,0,0,0|1,0,0]=3 4257 B9R0.2 CCCCOC/C=C(/C)\Cl 960fdaf47adbe5ca8fe9706c44ec1044 [0,2,0,0,0,0|1,0,1]=4 4258 B9R0.2 CCCCOC/C=C(/C)\I b03bc4260bec39be9cf79aca08c38129 [0,2,0,0,0,0|1,0,1]=4 4259 B9R0.2 CCCCOC/C=C(\C)/Cl 743307406907de86af1ae076bd836ab4 [0,2,0,0,0,0|1,0,1]=4 4260 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [0,2,0,0,0,0|1,0,1]=4 4261 B9R0.2 CCCCOCC=C(C)Cl 48d4f013d4d198147254b8b64c0376c6 [0,2,0,0,0,0|1,0,1]=4 4262 B9R0.2 CCCCOCC=C(C)I b84310eb2159cdbf6c2e4af756a6961c [0,2,0,0,0,0|1,0,1]=4 4263 B9R0.2 CCCCOCC=C(Cl)Cl d0b56f5b497e46da48877a2a743f5f62 [0,2,0,0,0,0|1,0,1]=4 4264 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [0,2,0,0,0,0|0,0,0]=2 4265 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [0,2,0,0,0,0|0,0,0]=2 4266 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [0,2,0,0,0,0|0,0,0]=2 4267 B9R0.2 CCCCOCCC(C)C 957ebfe7946e25745350d003aae73b70 [0,2,0,0,0,0|1,0,1]=4 4268 B9R0.2 CCCCOCCC(F)F e0eb329f82786f9e804b9c4e3afd51ae [0,2,0,0,0,0|1,0,1]=4 4269 B9R0.2 CCCCOCCN(C)C ff1cbc5eb8ee420c66fac7f9df7f979c [0,2,0,0,0,0|2,0,0]=4 4270 B9R0.2 CCCCOCCS(=O)C c23ab1353236b7d3fb5d5b7810b75cb1 [0,2,0,0,0,0|1,0,0]=3 4271 B9R0.2 CCCCOCC[N+](=O)[O-] 449ae182546390483eb4b610198267f3 [0,2,0,0,0,0|1,0,0]=3 4272 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [0,2,0,0,0,0|1,0,0]=3 4273 B9R0.2 CCCCOCNC(=O)N c8570fe5b0fca07c49ea855c2c714e28 [0,2,0,0,0,0|1,0,0]=3 4274 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [0,2,0,0,0,0|1,0,0]=3 4275 B9R0.2 CCCCOCSC(=O)N d1d81793d91d56bfe6b40ff2fdeafcee [0,2,0,0,0,0|1,0,0]=3 4276 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [0,2,0,0,0,0|0,0,2]=4 4277 B9R0.2 CCCNCC#CC(=O)N e74eaee5e1f71e6fbf24a351a3deeba4 [0,2,0,0,0,0|0,0,2]=4 4278 B9R0.2 CCCNCC#CC(=O)O a4ffabb1fc463a4c83e7684cb826c3e8 [0,2,0,0,0,0|0,0,2]=4 4279 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [0,2,0,0,0,0|0,0,2]=4 4280 B9R0.2 CCCNCCC=C(C)C ced8054c93d3346fab5137bb99fb0f73 [0,2,0,0,0,0|1,0,1]=4 4281 B9R0.2 CCCNCCC=C(F)F 3981bbaf3e3910f0824696327c10e0cb [0,2,0,0,0,0|1,0,1]=4 4282 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [0,2,0,0,0,0|0,0,0]=2 4283 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [0,2,0,0,0,0|0,0,0]=2 4284 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [0,2,0,0,0,0|0,0,0]=2 4285 B9R0.2 CCCNCCCC(C)C 56db38ca7131898df70223675d651c95 [0,2,0,0,0,0|1,0,1]=4 4286 B9R0.2 CCCNCCCC(C)O 6371182df2267961651c217c5a9d8ec2 [0,2,0,0,0,0|0,0,2]=4 4287 B9R0.2 CCCNCCCN(C)C 565fce1d806476fa729807ee12ce30bc [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.2 CCCNCCCS(=O)C bf3c6efa073e1467345d7cbddc3f20fe [0,2,0,0,0,0|1,0,0]=3 4289 B9R0.2 CCCNCCC[N+](=O)[O-] c841f283b784f56925ce8adc6d0317ec [0,2,0,0,0,0|1,0,0]=3 4290 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [0,2,0,0,0,0|1,0,0]=3 4291 B9R0.2 CCCNCCNC(=O)N eba9cf87c3d4b4412b3b52d629da0618 [0,2,0,0,0,0|1,0,0]=3 4292 B9R0.2 CCCNCCNC(=S)N 1f8f9d9753f751fa31be35918f676917 [0,2,0,0,0,0|1,1,0]=4 4293 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [0,2,0,0,0,0|1,0,0]=3 4294 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [0,2,0,0,0,0|1,0,0]=3 4295 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [0,2,0,0,0,0|0,0,2]=4 4296 B9R0.2 CCCOCC#CC(=O)O 973b316b9915a74f4553e52fb7cc188e [0,2,0,0,0,0|0,0,2]=4 4297 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [0,2,0,0,0,0|0,0,2]=4 4298 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [0,2,0,0,0,0|1,0,1]=4 4299 B9R0.2 CCCOCCC=C(F)F b6ba6e0b93a8e2b72e4e1e6aa2b1e736 [0,2,0,0,0,0|1,0,1]=4 4300 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [0,2,0,0,0,0|0,0,0]=2 4301 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [0,2,0,0,0,0|0,0,0]=2 4302 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [0,2,0,0,0,0|0,0,0]=2 4303 B9R0.2 CCCOCCCC(C)C c11f5e919ab6207bf876cd919599bef7 [0,2,0,0,0,0|1,0,1]=4 4304 B9R0.2 CCCOCCCN(C)C a5a11dc7f53dac0e7d443525259da51c [0,2,0,0,0,0|2,0,0]=4 4305 B9R0.2 CCCOCCC[N+](=O)[O-] 04dd13287e8e1e4ca4b0686285155fd0 [0,2,0,0,0,0|1,0,0]=3 4306 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [0,2,0,0,0,0|1,0,0]=3 4307 B9R0.2 CCCOCCNC(=O)N de0f07e5faa70e06a173f52c30b9f0f6 [0,2,0,0,0,0|1,0,0]=3 4308 B9R0.2 CCCOCCNC(=S)N 16d02dff3ac7ad964ad82d0352824645 [0,2,0,0,0,0|1,1,0]=4 4309 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [0,2,0,0,0,0|1,0,0]=3 4310 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [0,2,0,0,0,0|1,0,0]=3 4311 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [0,2,0,0,0,0|0,0,0]=2 4312 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [0,2,0,0,0,0|0,0,0]=2 4313 B9R0.2 CCNCCCCC(F)F 2dd047592be1958476fa43859c85a716 [0,2,0,0,0,0|1,0,1]=4 4314 B9R0.2 CCNCCCCN(C)C bd4636e7f8e238c7c023973181018ff7 [0,2,0,0,0,0|2,0,0]=4 4315 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [0,2,0,0,0,0|1,0,0]=3 4316 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [0,2,0,0,0,0|1,0,0]=3 4317 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [0,2,0,0,0,0|1,0,0]=3 4318 B9R0.2 CCOCCC#CC(=O)O 5ed97ccd5b3164e44f8f6133f43dc81c [0,2,0,0,0,0|0,0,2]=4 4319 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [0,2,0,0,0,0|0,0,0]=2 4320 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [0,2,0,0,0,0|0,0,0]=2 4321 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [0,2,0,0,0,0|0,0,0]=2 4322 B9R0.2 CCOCCCCC(C)C 342635d8f7fe78b6b1c62374e4a1ad34 [0,2,0,0,0,0|1,0,1]=4 4323 B9R0.2 CCOCCCCN(C)C dea41cf883e4c072591bc50e93d6cb14 [0,2,0,0,0,0|2,0,0]=4 4324 B9R0.2 CCOCCCC[N+](=O)[O-] a85cb5ce9cacb21db238c9921387a33e [0,2,0,0,0,0|1,0,0]=3 4325 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [0,2,0,0,0,0|1,0,0]=3 4326 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [0,2,0,0,0,0|1,0,0]=3 4327 B9R0.2 CCOCCCO[N+](=O)[O-] 671da1fb10fc3d567c6bf28af17e030a [0,2,0,0,0,0|2,0,0]=4 4328 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [0,2,0,0,0,0|1,0,0]=3 4329 B9R0.2 CCOCCNCC(=O)C c70f97bf0fb0c82014fed6cd7123cc8c [0,2,0,0,0,0|1,0,0]=3 4330 B9R0.2 CCOCCNCC(=O)N 3b5f517f3d8c2ef294352600c8c9b118 [0,2,0,0,0,0|1,0,0]=3 4331 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [0,2,0,0,0,0|1,0,0]=3 4332 B9R0.2 CCOCCNC[N+](=O)[O-] 4175c271de284048d160adbc7d65dfb3 [0,2,0,0,0,0|2,0,0]=4 4333 B9R0.2 CCOCCOCC(=O)C f2abab147e228f0c5e3f118094e5ae3e [0,2,0,0,0,0|1,0,0]=3 4334 B9R0.2 CCOCCOCC(=O)N 3ad6244a0d9450d5a5ee70e3e3bc3564 [0,2,0,0,0,0|1,0,0]=3 4335 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [0,2,0,0,0,0|1,0,0]=3 4336 B9R0.2 CCOCCOCC(=S)N 103575ab75fa8d822aa7f597dd049006 [0,2,0,0,0,0|1,1,0]=4 4337 B9R0.2 CCOCCOCS(=O)O fb882a20738b84ef6449d6e0c5b98fe6 [0,2,0,0,0,0|2,0,0]=4 4338 B9R0.2 CCOCCOC[N+](=O)[O-] e62aef0441a3fc8f97d6d061db537a58 [0,2,0,0,0,0|2,0,0]=4 4339 B9R0.2 CCOCCSCC(=O)N b5b59951777a4ee8ec00ef909fa6de61 [0,2,0,0,0,0|1,0,0]=3 4340 B9R0.2 CCOCNCCC(=O)N 6177828bcdee622faa4bdfda48444dbf [0,2,0,0,0,0|1,0,0]=3 4341 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [0,2,0,0,0,0|1,0,0]=3 4342 B9R0.2 CCOCNCCC(=S)N 02e8c7ee947599c82ae0865f0a86cea7 [0,2,0,0,0,0|1,1,0]=4 4343 B9R0.2 CCOCNCCS(=O)C aefadde1b8f1947b5e4d5f729c1077f8 [0,2,0,0,0,0|2,0,0]=4 4344 B9R0.2 CCOCNCCS(=O)O f8f861d97ea8aa233c72f81ebad77555 [0,2,0,0,0,0|2,0,0]=4 4345 B9R0.2 CCOCOCCC(=O)C 7c05b5d301547a7a379eefc6a013d22c [0,2,0,0,0,0|1,0,0]=3 4346 B9R0.2 CCOCOCCC(=O)N 3d7e10bb5e2a2f79b8dd828c61ceb02d [0,2,0,0,0,0|1,0,0]=3 4347 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [0,2,0,0,0,0|1,0,0]=3 4348 B9R0.2 CCOCOCCS(=O)C f04de07af9056c7493e646cd0008b732 [0,2,0,0,0,0|2,0,0]=4 4349 B9R0.2 CCOCOCC[N+](=O)[O-] 5ae05fb500bf5821f315ec55599a34e8 [0,2,0,0,0,0|2,0,0]=4 4350 B9R0.2 CCOCOCNC(=O)C 38793e0f0c107944ea14ab71c800590b [0,2,0,0,0,0|2,0,0]=4 4351 B9R0.2 CCOCOCNC(=O)N 28e1c9c579e5e1a6385c8449366f4b0f [0,2,0,0,0,0|2,0,0]=4 4352 B9R0.2 CCSCCNCC(=O)C fad72d0b95c2a13f990a448abba15424 [0,2,0,0,0,0|1,0,0]=3 4353 B9R0.2 CCSCCNCC(=O)N bccfd35d4715d090e7874f4dd415c742 [0,2,0,0,0,0|1,0,0]=3 4354 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [0,2,0,0,0,0|1,0,0]=3 4355 B9R0.2 CCSCCNC[N+](=O)[O-] 1ca4c5bb5dce9d5271b633e8c10d3fb3 [0,2,0,0,0,0|2,0,0]=4 4356 B9R0.2 CCSCCOCC(=O)C 3e35f56d483cc24657d76c6dcc48c959 [0,2,0,0,0,0|1,0,0]=3 4357 B9R0.2 CCSCCOCC(=O)N 0972d7ab007eadd2c654a3805821636b [0,2,0,0,0,0|1,0,0]=3 4358 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [0,2,0,0,0,0|1,0,0]=3 4359 B9R0.2 CCSCCOCC(=S)N 38236435aacc9403c87c58a73275fb72 [0,2,0,0,0,0|1,1,0]=4 4360 B9R0.2 CCSCCOCS(=O)O e5bd6861eda4deca7d76ab102e54b1cd [0,2,0,0,0,0|2,0,0]=4 4361 B9R0.2 CCSCCOC[N+](=O)[O-] 4067a3c579700f15d131efac1237ea82 [0,2,0,0,0,0|2,0,0]=4 4362 B9R0.2 CN(C)CCCCNC=O 2e9bad4ba89324f58cb42b7773bcd69a [0,2,0,0,0,0|1,0,0]=3 4363 B9R0.2 CN(C)CCCNCC=O 7d52061dd0a0d514529c02eed3fc5b77 [0,2,0,0,0,0|1,0,0]=3 4364 B9R0.2 CN(C)CCCOCC=O 832c37008deaf52143ba2beb28b0537b [0,2,0,0,0,0|1,0,0]=3 4365 B9R0.2 CN(C)CCNCCC=O e6cbbab1a7c2eacf75bcc7a77647ba3f [0,2,0,0,0,0|1,0,0]=3 4366 B9R0.2 CN(C)CCOCCC=O 88e57e3491dfa651d80263e6f2c2bd5b [0,2,0,0,0,0|1,0,0]=3 4367 B9R0.2 CN(C)COCCCC=O fd8e33d9fc59badb6f3ed3300d9814e7 [0,2,0,0,0,0|1,0,0]=3 4368 B9R0.2 CN(C)COCCNC=O 67b37e8da4d65abc9103b06bbe3d3027 [0,2,0,0,0,0|2,0,0]=4 4369 B9R0.2 CN(C)COCCOC=O 42383fbf9ac9af51652831d0be7b6dd0 [0,2,0,0,0,0|2,0,0]=4 4370 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [0,2,0,0,0,0|1,0,0]=3 4371 B9R0.2 COCCCCNC(C)C 76ef922fd8949c4600bb5547f94255b3 [0,2,0,0,0,0|2,0,0]=4 4372 B9R0.2 COCCCCOC(C)C 2673da365c8df0819dfc7bbaba2b5119 [0,2,0,0,0,0|2,0,0]=4 4373 B9R0.2 COCCCNCC(=O)C e4b3d782ce022664507161af9801f346 [0,2,0,0,0,0|1,0,0]=3 4374 B9R0.2 COCCCNCC(=O)N 253b9b2bf64092c65099b8983595bf88 [0,2,0,0,0,0|1,0,0]=3 4375 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [0,2,0,0,0,0|1,0,0]=3 4376 B9R0.2 COCCCNCC(C)C bf566d23980e1ea260c63a591e9b663d [0,2,0,0,0,0|2,0,0]=4 4377 B9R0.2 COCCCNCC(C)O 3fa2a5428f19c5ffc20a47da566fdcc9 [0,2,0,0,0,0|2,0,0]=4 4378 B9R0.2 COCCCNC[C@@H](C)O 19ff1dcbdf3c48021f5a90586903a0ef [0,2,0,0,0,0|2,0,0]=4 4379 B9R0.2 COCCCNC[C@H](C)O d9eaf91d3d886af5c13acd54dbb750ef [0,2,0,0,0,0|2,0,0]=4 4380 B9R0.2 COCCCNC[N+](=O)[O-] 6c6f97ec06277440e01a9ee08655bfca [0,2,0,0,0,0|2,0,0]=4 4381 B9R0.2 COCCCOCC(=O)C b6c57de0e6612bd98a91c89c61f27b6a [0,2,0,0,0,0|1,0,0]=3 4382 B9R0.2 COCCCOCC(=O)N 5aa082b1cc6858ba28beda9b2b4239f2 [0,2,0,0,0,0|1,0,0]=3 4383 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [0,2,0,0,0,0|1,0,0]=3 4384 B9R0.2 COCCCOCC(=S)N b976529c229d76456887f6939753ca43 [0,2,0,0,0,0|1,1,0]=4 4385 B9R0.2 COCCCOCC(C)C 1272a422ddfd10e75e400223356cdd9a [0,2,0,0,0,0|2,0,0]=4 4386 B9R0.2 COCCCOCC(C)F eb6ba4f37920928c32191df79ebe3a6c [0,2,0,0,0,0|2,0,0]=4 4387 B9R0.2 COCCCOCC(C)S 137ee41dd5ea0c704156e5b0c5f62486 [0,2,0,0,0,0|2,0,0]=4 4388 B9R0.2 COCCCOCS(=O)O 30a0c66debfd98ba2944bef18623071e [0,2,0,0,0,0|2,0,0]=4 4389 B9R0.2 COCCCOC[C@@H](C)F 1ec6debb1bdf8a47dd1a791b34971197 [0,2,0,0,0,0|2,0,0]=4 4390 B9R0.2 COCCCOC[C@H](C)F 6e61567e3d77370f5edcd48e58109ce5 [0,2,0,0,0,0|2,0,0]=4 4391 B9R0.2 COCCCOC[N+](=O)[O-] 4c3b8e29bc16ba3712fc93feb872d9e1 [0,2,0,0,0,0|2,0,0]=4 4392 B9R0.2 COCCNCCC(=O)C cc50741b4bcb596f77bf55fe047b2330 [0,2,0,0,0,0|1,0,0]=3 4393 B9R0.2 COCCNCCC(=O)N 914219fcbf815befada20a4804c3ce40 [0,2,0,0,0,0|1,0,0]=3 4394 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [0,2,0,0,0,0|1,0,0]=3 4395 B9R0.2 COCCNCCC(=S)N 3664a9179cecc8b38de918a3eef9e3a2 [0,2,0,0,0,0|1,1,0]=4 4396 B9R0.2 COCCNCCC(C)C 4155c1515ea713609c1b589b2eb003e2 [0,2,0,0,0,0|2,0,0]=4 4397 B9R0.2 COCCNCCC(C)O 5a263a3731f96a2126baacd5857d34eb [0,2,0,0,0,0|2,0,0]=4 4398 B9R0.2 COCCNCCS(=O)C e07673a803a60e97b3f99b6405f40904 [0,2,0,0,0,0|2,0,0]=4 4399 B9R0.2 COCCNCCS(=O)O 0633dfd0f3b2fc17d4f5fa9f8817f72d [0,2,0,0,0,0|2,0,0]=4 4400 B9R0.2 COCCNCC[C@@H](C)O f612119892ead8b98da5c14432e134c2 [0,2,0,0,0,0|2,0,0]=4 4401 B9R0.2 COCCNCC[C@H](C)O a9e2983c33d9a1a4326532535161c921 [0,2,0,0,0,0|2,0,0]=4 4402 B9R0.2 COCCNCOC(=O)C 7c792011f968ec1a1d9667b50dc4d640 [0,2,0,0,0,0|2,0,0]=4 4403 B9R0.2 COCCNCSC(=O)N 6e0c1158d779849192578c4315d1632c [0,2,0,0,0,0|2,0,0]=4 4404 B9R0.2 COCCOCCC(=O)C 42b719221818bf1f4cbfe81de3e7676a [0,2,0,0,0,0|1,0,0]=3 4405 B9R0.2 COCCOCCC(=O)N b528d747387ce99b70a79f06142776d7 [0,2,0,0,0,0|1,0,0]=3 4406 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [0,2,0,0,0,0|1,0,0]=3 4407 B9R0.2 COCCOCCC(C)C c37823bd4133695864346194e978635d [0,2,0,0,0,0|2,0,0]=4 4408 B9R0.2 COCCOCCS(=O)C 86bcbfcb08f01b0bfbc64141840f37ac [0,2,0,0,0,0|2,0,0]=4 4409 B9R0.2 COCCOCC[N+](=O)[O-] 8b567efe8f609ac1ae9aa930e20db26f [0,2,0,0,0,0|2,0,0]=4 4410 B9R0.2 COCCOCNC(=O)C 6d3810fe234d43670afe9476c6ccf397 [0,2,0,0,0,0|2,0,0]=4 4411 B9R0.2 COCCOCNC(=O)N 13765b7ac1b3e526c6031cc120f0e07e [0,2,0,0,0,0|2,0,0]=4 4412 B9R0.2 COCCOCOC(=O)C 3c0c9969f08b445ef676eb92f534751f [0,2,0,0,0,0|2,0,0]=4 4413 B9R0.2 COCCOCSC(=O)N b520f5d19f9fd890441b1ccf27837fd2 [0,2,0,0,0,0|2,0,0]=4 4414 B9R0.2 COCNCCCC(=O)N 143230c9cc7fa1e72cc2f06c39df6405 [0,2,0,0,0,0|1,0,0]=3 4415 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [0,2,0,0,0,0|1,0,0]=3 4416 B9R0.2 COCNCCCC(C)C bbbf765fc3f4b35e132dc40fc1ce89d5 [0,2,0,0,0,0|2,0,0]=4 4417 B9R0.2 COCNCCCS(=O)C e17e29574333d704c9897ae7e2793f42 [0,2,0,0,0,0|2,0,0]=4 4418 B9R0.2 COCNCCNC(=O)C b12b12639159c20bcc2d1c1086116477 [0,2,0,0,0,0|2,0,0]=4 4419 B9R0.2 COCOCCCC(=O)C f43054086d226c36ed78969c345787dd [0,2,0,0,0,0|1,0,0]=3 4420 B9R0.2 COCOCCCC(=O)N e23220792a5c66edc9d24bfa8410fe19 [0,2,0,0,0,0|1,0,0]=3 4421 B9R0.2 COCOCCCC(C)C b6376f7988031ced242015bf9ea6e16c [0,2,0,0,0,0|2,0,0]=4 4422 B9R0.2 COCOCCC[N+](=O)[O-] 0492055c711e9ae5acd7659d4d4f707e [0,2,0,0,0,0|2,0,0]=4 4423 B9R0.2 COCOCCNC(=O)C 3efb8e5988f380a09e447f8453fc669b [0,2,0,0,0,0|2,0,0]=4 4424 B9R0.2 COCOCCNC(=O)N a7688870d978d2b267f34650c562056e [0,2,0,0,0,0|2,0,0]=4 4425 B9R0.2 COCOCCOC(=O)C c1d21b4657b103686de2e70024d8053c [0,2,0,0,0,0|2,0,0]=4 4426 B9R0.2 COCOCCSC(=O)C 08a4a36a589b662a246281790c16f756 [0,2,0,0,0,0|2,0,0]=4 4427 B9R0.2 CS(=O)CCCNCC=O 757d4f9f911aa4ceeced8bd4647e2ae5 [0,2,0,0,0,0|1,0,0]=3 4428 B9R0.2 CS(=O)CCCNCCF a7f5f9f6004c775a6d5f7e619c031a1e [0,2,0,0,0,0|2,0,0]=4 4429 B9R0.2 CS(=O)CCCNCCO 475661cce2b0f0a50ea2d5e882b9de0d [0,2,0,0,0,0|2,0,0]=4 4430 B9R0.2 CS(=O)CCCNCCS 17ab50e4687ebdd306981c4446e2983c [0,2,0,0,0,0|2,0,0]=4 4431 B9R0.2 CS(=O)CCNCCC=O 7ffdf592cad401d41bfea2bf466d6f0a [0,2,0,0,0,0|1,0,0]=3 4432 B9R0.2 CS(=O)CCNCCCCl a6172a204190f51c76e8b9d42b8ab81e [0,2,0,0,0,0|2,0,0]=4 4433 B9R0.2 CS(=O)CCNCCCF 1d8ca03ccc8ee39c7db5f429eccc93cf [0,2,0,0,0,0|2,0,0]=4 4434 B9R0.2 CS(=O)CCNCCCO d14cc530c45b1a203d3d3eb1e9f81a62 [0,2,0,0,0,0|2,0,0]=4 4435 B9R0.2 CS(=O)CCNCCCS b689e8fdd1abf99e85c01e3af8c3b061 [0,2,0,0,0,0|2,0,0]=4 4436 B9R0.2 CS(=O)CCOCCC=O 5c0d1f5d345e4dc20ef5fd1dabb56802 [0,2,0,0,0,0|1,0,0]=3 4437 B9R0.2 CS(=O)CCOCCCF b2d20f8c00cb33511ad5dd154685d73b [0,2,0,0,0,0|2,0,0]=4 4438 B9R0.2 CS(=O)CCOCCCS 34f7c62298978ab6289d98144f16f05f [0,2,0,0,0,0|2,0,0]=4 4439 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [0,2,0,0,0,0|1,0,0]=3 4440 B9R0.2 CSCCCCNC(C)C 89272abc2319549271708a10b3af78bf [0,2,0,0,0,0|2,0,0]=4 4441 B9R0.2 CSCCCCOC(C)C 2ad90a573f22b9281a43606f86023650 [0,2,0,0,0,0|2,0,0]=4 4442 B9R0.2 CSCCCNCC(=O)C 7623274f83bea32ce27bf9f8465c7872 [0,2,0,0,0,0|1,0,0]=3 4443 B9R0.2 CSCCCNCC(=O)N c17d1c1629e4c317e4eed7952120063f [0,2,0,0,0,0|1,0,0]=3 4444 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [0,2,0,0,0,0|1,0,0]=3 4445 B9R0.2 CSCCCNCC(C)C fbc5d0ff33373988a8d1d4c2362d539a [0,2,0,0,0,0|2,0,0]=4 4446 B9R0.2 CSCCCNCC(C)O 70ba937df7d6587395a5fab866fc28ac [0,2,0,0,0,0|2,0,0]=4 4447 B9R0.2 CSCCCNC[C@@H](C)O ec89de1321ce8438e9244c3e8270c36c [0,2,0,0,0,0|2,0,0]=4 4448 B9R0.2 CSCCCNC[C@H](C)O 475d2e539a8bb49c6c6a6ef930e9a225 [0,2,0,0,0,0|2,0,0]=4 4449 B9R0.2 CSCCCNC[N+](=O)[O-] eaa3cc7c01d90353a32c09d980a4b3ae [0,2,0,0,0,0|2,0,0]=4 4450 B9R0.2 CSCCCOCC(=O)C 5454163a2a07a4d14ee03189c1897a43 [0,2,0,0,0,0|1,0,0]=3 4451 B9R0.2 CSCCCOCC(=O)N 2e0057c06fe69bc4ebfba942e29937f8 [0,2,0,0,0,0|1,0,0]=3 4452 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [0,2,0,0,0,0|1,0,0]=3 4453 B9R0.2 CSCCCOCC(=S)N a2b0801751a8138d1ac189d672136fd8 [0,2,0,0,0,0|1,1,0]=4 4454 B9R0.2 CSCCCOCC(C)C 8b18b043a1967eed5beb35729f9f3032 [0,2,0,0,0,0|2,0,0]=4 4455 B9R0.2 CSCCCOCC(C)F fb8f5661fe5e118443b0b8194d9f5196 [0,2,0,0,0,0|2,0,0]=4 4456 B9R0.2 CSCCCOCC(C)S 52063da032ff25ab2394e2cea976515f [0,2,0,0,0,0|2,0,0]=4 4457 B9R0.2 CSCCCOCS(=O)O ce4c6dcc5702edc8a1f1476bdf7c2f85 [0,2,0,0,0,0|2,0,0]=4 4458 B9R0.2 CSCCCOC[C@@H](C)F 9a1964d54084a5675ac3cf2784746b35 [0,2,0,0,0,0|2,0,0]=4 4459 B9R0.2 CSCCCOC[C@H](C)F d1e1ea5a268d69ccddfc660114ccd331 [0,2,0,0,0,0|2,0,0]=4 4460 B9R0.2 CSCCCOC[N+](=O)[O-] 641c7f961e8534e86618aea7c2c1cd23 [0,2,0,0,0,0|2,0,0]=4 4461 B9R0.2 CSCCNCCC(=O)C 9db4a522309238a4c3a74c333f9036b6 [0,2,0,0,0,0|1,0,0]=3 4462 B9R0.2 CSCCNCCC(=O)N fac02100e52f701d38c4b7d7284e2345 [0,2,0,0,0,0|1,0,0]=3 4463 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [0,2,0,0,0,0|1,0,0]=3 4464 B9R0.2 CSCCNCCC(=S)N 4fef1bf71d23c53fe5d79854811db0b2 [0,2,0,0,0,0|1,1,0]=4 4465 B9R0.2 CSCCNCCC(C)C cf166809875f8d45beee49bb4be24b4d [0,2,0,0,0,0|2,0,0]=4 4466 B9R0.2 CSCCNCCC(C)O 4a4c316f91a0372beec10a189d68dd5b [0,2,0,0,0,0|2,0,0]=4 4467 B9R0.2 CSCCNCCS(=O)C c6a736592b0f693ea813f1641c54e2f8 [0,2,0,0,0,0|2,0,0]=4 4468 B9R0.2 CSCCNCCS(=O)O 99197a60045cf31ddb8e82dcbb474020 [0,2,0,0,0,0|2,0,0]=4 4469 B9R0.2 CSCCNCC[C@@H](C)O 7a799516c179e00cbc9167de39b00a4c [0,2,0,0,0,0|2,0,0]=4 4470 B9R0.2 CSCCNCC[C@H](C)O 186d378f131bc2cabd51a436e26a9ce8 [0,2,0,0,0,0|2,0,0]=4 4471 B9R0.2 CSCCNCOC(=O)C 4a9417d660a2b8f603a487e0613a69d1 [0,2,0,0,0,0|2,0,0]=4 4472 B9R0.2 CSCCNCSC(=O)N a1fd6553d05c66e08ee049d4adcde546 [0,2,0,0,0,0|2,0,0]=4 4473 B9R0.2 CSCCOCCC(=O)C b7c06c5f50bd774c354bac5b4a853359 [0,2,0,0,0,0|1,0,0]=3 4474 B9R0.2 CSCCOCCC(=O)N 260135039720ecae997fb6d7d7eeb00c [0,2,0,0,0,0|1,0,0]=3 4475 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [0,2,0,0,0,0|1,0,0]=3 4476 B9R0.2 CSCCOCCC(C)C b19dbbca3d7d14ce50c61b7cd3faaa35 [0,2,0,0,0,0|2,0,0]=4 4477 B9R0.2 CSCCOCCS(=O)C 523f86987ced443a666b87f6e3cb1410 [0,2,0,0,0,0|2,0,0]=4 4478 B9R0.2 CSCCOCC[N+](=O)[O-] 6545d6e413c2362a50d9798704247e49 [0,2,0,0,0,0|2,0,0]=4 4479 B9R0.2 CSCCOCNC(=O)C 4aec0f27a328a0ad9a769e1bb9447e51 [0,2,0,0,0,0|2,0,0]=4 4480 B9R0.2 CSCCOCNC(=O)N 8c5ffb8a66065a58c05a78768de1c67a [0,2,0,0,0,0|2,0,0]=4 4481 B9R0.2 CSCCOCOC(=O)C 4ce161e7666f6d339ad656d877b5738e [0,2,0,0,0,0|2,0,0]=4 4482 B9R0.2 CSCCOCSC(=O)N 5337a3208db83b9435de4d6c888ff7d5 [0,2,0,0,0,0|2,0,0]=4 4483 B9R0.2 CSCNCCCC(=O)N 9c78a0b9068d8a3cc8f8317328f3766a [0,2,0,0,0,0|1,0,0]=3 4484 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [0,2,0,0,0,0|1,0,0]=3 4485 B9R0.2 CSCNCCCC(C)C 379e4d8d4775e747da63f781d2dc7221 [0,2,0,0,0,0|2,0,0]=4 4486 B9R0.2 CSCNCCCS(=O)C 48eed52a7a09b80857dcff8c731ff71d [0,2,0,0,0,0|2,0,0]=4 4487 B9R0.2 CSCNCCNC(=O)C 0c83ce960241de6e2f8a77c5156cf9ec [0,2,0,0,0,0|2,0,0]=4 4488 B9R0.2 CSCOCCCC(=O)C 37d7fc5efc38029b2c30ac3a6898185c [0,2,0,0,0,0|1,0,0]=3 4489 B9R0.2 CSCOCCCC(=O)N bfccc78da96541a29149f439ea148b47 [0,2,0,0,0,0|1,0,0]=3 4490 B9R0.2 CSCOCCCC(C)C ed6187b45ed6496b8f876fb1e5cbbc93 [0,2,0,0,0,0|2,0,0]=4 4491 B9R0.2 CSCOCCC[N+](=O)[O-] fcf3fd7d1dd5c693d6c40576f6a68f99 [0,2,0,0,0,0|2,0,0]=4 4492 B9R0.2 CSCOCCNC(=O)C 8bf9fe079133cd630591ad7e21810fd8 [0,2,0,0,0,0|2,0,0]=4 4493 B9R0.2 CSCOCCNC(=O)N 5323ec38aa7014de1cb11978f57edeee [0,2,0,0,0,0|2,0,0]=4 4494 B9R0.2 CSCOCCOC(=O)C 85f658ca31404ad6a9d937e79a707f17 [0,2,0,0,0,0|2,0,0]=4 4495 B9R0.2 C[C@@H](F)COCCCC#N 65371c8ec7247b929d471325130b4e72 [0,2,0,0,0,0|1,0,1]=4 4496 B9R0.2 C[C@@H](F)COCCCC=O 15ec93434fa37469dace6cc0d307b1c7 [0,2,0,0,0,0|0,0,0]=2 4497 B9R0.2 C[C@@H](F)COCCCCF f8def687c98c5c6df6975b0770735a53 [0,2,0,0,0,0|1,0,1]=4 4498 B9R0.2 C[C@@H](O)CCCCNC#N e4ac8a2b9121d4e4662ffb52079f19c0 [0,2,0,0,0,0|1,0,1]=4 4499 B9R0.2 C[C@@H](O)CCNC/C=C/Cl ba70ddc0796ca335db42ab07b60aef5c [0,2,0,0,0,0|1,0,1]=4 4500 B9R0.2 C[C@@H](O)CCNC/C=C\Cl 100509e355d0fb4e45695eda89d48295 [0,2,0,0,0,0|1,0,1]=4 4501 B9R0.2 C[C@@H](O)CCNC/C=C\O 224feb9514dcfb4508c387f785d6793e [0,2,0,0,0,0|0,0,2]=4 4502 B9R0.2 C[C@@H](O)CCNCCC#N 7dbc3fc957c8975e017c1c117842f120 [0,2,0,0,0,0|1,0,1]=4 4503 B9R0.2 C[C@@H](O)CCNCCC=O 6661f70d05883b3717e63de7ccf03505 [0,2,0,0,0,0|0,0,0]=2 4504 B9R0.2 C[C@@H](O)CCNCCCF 521c04738e2931c8a66f22d645802491 [0,2,0,0,0,0|1,0,1]=4 4505 B9R0.2 C[C@@H](O)CCNCCCO 879875d53905068a86ee9621ae8c2b21 [0,2,0,0,0,0|0,0,2]=4 4506 B9R0.2 C[C@@H](O)CCNCCCS ebf487901d26eddea2cf7ce80728d7f7 [0,2,0,0,0,0|0,1,1]=4 4507 B9R0.2 C[C@@H](O)CNCCCC#N 836500385a1820216b56d2c697a712f1 [0,2,0,0,0,0|1,0,1]=4 4508 B9R0.2 C[C@@H](O)CNCCCC=O 6e8902a63b22adf010822e70d20b9de4 [0,2,0,0,0,0|0,0,0]=2 4509 B9R0.2 C[C@@H](O)CNCCCCCl 491b5c1622254008509a4ba8e9ab1cd6 [0,2,0,0,0,0|1,0,1]=4 4510 B9R0.2 C[C@@H](O)CNCCCCF fe799b76acda16431cb6fa5d25600b49 [0,2,0,0,0,0|1,0,1]=4 4511 B9R0.2 C[C@@H](O)CNCCCCO fa414208f6ad4c98dcfebb658b545113 [0,2,0,0,0,0|0,0,2]=4 4512 B9R0.2 C[C@@H](O)CNCCCCS 84fb62362fb54da5594d3cc03c2130c9 [0,2,0,0,0,0|0,1,1]=4 4513 B9R0.2 C[C@H](F)COCCCC#N e4c83abb71772f7d5f30c0eb48190a67 [0,2,0,0,0,0|1,0,1]=4 4514 B9R0.2 C[C@H](F)COCCCC=O cd3cf6e1ccde2460618b3cd07e9f0c33 [0,2,0,0,0,0|0,0,0]=2 4515 B9R0.2 C[C@H](F)COCCCCF 35f93a703ac968545927846cf35ea3d3 [0,2,0,0,0,0|1,0,1]=4 4516 B9R0.2 C[C@H](O)CCNC/C=C/Cl e421673cb9b6432414de0591ad3b9062 [0,2,0,0,0,0|1,0,1]=4 4517 B9R0.2 C[C@H](O)CCNC/C=C\Cl e952899cc9249ddc8f27f399bf2a7940 [0,2,0,0,0,0|1,0,1]=4 4518 B9R0.2 C[C@H](O)CCNC/C=C\O 96a4878c5f3ab193556c31163aa18cdb [0,2,0,0,0,0|0,0,2]=4 4519 B9R0.2 C[C@H](O)CCNCCC#N c28cc06afb7efe5bf83b829329b50850 [0,2,0,0,0,0|1,0,1]=4 4520 B9R0.2 C[C@H](O)CCNCCC=O 3db470150683485e06f6af186a125748 [0,2,0,0,0,0|0,0,0]=2 4521 B9R0.2 C[C@H](O)CCNCCCF d124f436f6525e8f868f951a59d90c84 [0,2,0,0,0,0|1,0,1]=4 4522 B9R0.2 C[C@H](O)CCNCCCO a698db67babc45413efb0087ad25aad2 [0,2,0,0,0,0|0,0,2]=4 4523 B9R0.2 C[C@H](O)CCNCCCS 35694b8a490fc55e24732d5b3a080a19 [0,2,0,0,0,0|0,1,1]=4 4524 B9R0.2 C[C@H](O)CNCCCC#N 8030da445d7f22e1117f35c9b7c25ea7 [0,2,0,0,0,0|1,0,1]=4 4525 B9R0.2 C[C@H](O)CNCCCC=O 97a2309139eba09278aa90c3d2821b80 [0,2,0,0,0,0|0,0,0]=2 4526 B9R0.2 C[C@H](O)CNCCCCCl 10f974d9cf94c158b1c6d32ae2032c20 [0,2,0,0,0,0|1,0,1]=4 4527 B9R0.2 C[C@H](O)CNCCCCF bcc3069b5de5f2b89ea30d65e6f3b680 [0,2,0,0,0,0|1,0,1]=4 4528 B9R0.2 C[C@H](O)CNCCCCO a15a5bb9bd70a0ca5b76d0de8e96df0c [0,2,0,0,0,0|0,0,2]=4 4529 B9R0.2 C[C@H](O)CNCCCCS 57a34e18d1e9185556f58eb4a371705c [0,2,0,0,0,0|0,1,1]=4 4530 B9R0.2 N#CCCCNCC(=O)N 70b7f20154e1dc2261d79ee8ddbdbae3 [0,2,0,0,0,0|1,0,1]=4 4531 B9R0.2 N#CCCCNCC(=O)O 20724fe6156a1af746594ec9feab0e68 [0,2,0,0,0,0|1,0,1]=4 4532 B9R0.2 N#CCCCOCC(=O)N a8342065e65627c8f214f3db56f9266b [0,2,0,0,0,0|1,0,1]=4 4533 B9R0.2 N#CCCCOCC(=O)O 45398b7196d099d83805223b6a8c644f [0,2,0,0,0,0|1,0,1]=4 4534 B9R0.2 N#CCCNCCC(=O)N ee73d06faaeeda2ac48b6152f61c3f12 [0,2,0,0,0,0|1,0,1]=4 4535 B9R0.2 N#CCCNCCC(=O)O 7abc0d2ce742a2d67238e0ee16b48f38 [0,2,0,0,0,0|1,0,1]=4 4536 B9R0.2 N#CCCOCCC(=O)N 8eb32a248154e47ca15b06a50ae03c64 [0,2,0,0,0,0|1,0,1]=4 4537 B9R0.2 N#CCCOCCC(=O)O d6c21a81de880815349a7606c778d8cd [0,2,0,0,0,0|1,0,1]=4 4538 B9R0.2 N#CCNCCCC(=O)N 3b917f0e5e51e29e3d5a94faa2473d57 [0,2,0,0,0,0|1,0,1]=4 4539 B9R0.2 N#CCNCCCC(=O)O d49027464fcde58fe65757855e67264b [0,2,0,0,0,0|1,0,1]=4 4540 B9R0.2 N#CCOCCCC(=O)N 1325ab485ae2143ff06bb15a6aa2498a [0,2,0,0,0,0|1,0,1]=4 4541 B9R0.2 N#CNCCCCC(=O)N f49369528c61631094103e3f43cc7580 [0,2,0,0,0,0|1,0,1]=4 4542 B9R0.2 N#CNCCCCC(=O)O e91eb9cdc63c12d1e3fbf5ecea30450d [0,2,0,0,0,0|1,0,1]=4 4543 B9R0.2 NC(=O)CCCCNC=O 3e503141f2993c5300de2e080e6cd43c [0,2,0,0,0,0|1,0,1]=4 4544 B9R0.2 NC(=O)CCCCNCF 75b2f82846bbe7e40aabc87d3f624ba8 [0,2,0,0,0,0|1,0,0]=3 4545 B9R0.2 NC(=O)CCCCNCO ce36ffe4a318fba229276c91570ce122 [0,2,0,0,0,0|1,0,0]=3 4546 B9R0.2 NC(=O)CCCCOCF 3777af8fc371a79c0dfdc0eb4e0712f1 [0,2,0,0,0,0|1,0,0]=3 4547 B9R0.2 NC(=O)CCCNCC=O a643217445c23b78f95058989a303128 [0,2,0,0,0,0|1,0,1]=4 4548 B9R0.2 NC(=O)CCCNCCBr 159e952c22dd14d98be643253e87144f [0,2,0,0,0,0|1,0,0]=3 4549 B9R0.2 NC(=O)CCCNCCF 86bd028566db889d0e9f083596f5b81e [0,2,0,0,0,0|1,0,0]=3 4550 B9R0.2 NC(=O)CCCNCCI c000d4b42ca6db0272d6873d5a06bf59 [0,2,0,0,0,0|1,0,0]=3 4551 B9R0.2 NC(=O)CCCNCCO b82c97f586c37f6864f17e6a0759093e [0,2,0,0,0,0|1,0,0]=3 4552 B9R0.2 NC(=O)CCCNCCS 33c260f6f564fe8a054bf0687069a0d8 [0,2,0,0,0,0|1,0,0]=3 4553 B9R0.2 NC(=O)CCCOCC=O 57550c358bd48a572738286d32dacaf1 [0,2,0,0,0,0|1,0,1]=4 4554 B9R0.2 NC(=O)CCCOCCF bed05ecccde6fc2e5c6ab1fb3d493a56 [0,2,0,0,0,0|1,0,0]=3 4555 B9R0.2 NC(=O)CCCOCCS 52144b28c666090309e74c56c2a6cead [0,2,0,0,0,0|1,0,0]=3 4556 B9R0.2 NC(=O)CCNCCC=O 03233488ecadae1146314c18f07a59ca [0,2,0,0,0,0|1,0,1]=4 4557 B9R0.2 NC(=O)CCNCCCCl ffdfddf334a4ea28c728c2af5495031a [0,2,0,0,0,0|1,0,0]=3 4558 B9R0.2 NC(=O)CCNCCCF 546af48d5e9ca27f1f573d73dbdb91c5 [0,2,0,0,0,0|1,0,0]=3 4559 B9R0.2 NC(=O)CCNCCCO 12b0fb311596dc7373666db7dc43ab52 [0,2,0,0,0,0|1,0,0]=3 4560 B9R0.2 NC(=O)CCNCCCS 9243a2bf1af632bb9baa3f382cc42b61 [0,2,0,0,0,0|1,0,0]=3 4561 B9R0.2 NC(=O)CCOCCC=O 48a1244b45b68be890fbe7059462fe02 [0,2,0,0,0,0|1,0,1]=4 4562 B9R0.2 NC(=O)CCOCCCF 78700fed2a3a54da0b4cefaac5cc6c00 [0,2,0,0,0,0|1,0,0]=3 4563 B9R0.2 NC(=O)CCOCCCS 6cc247be50b065fba7a87c9d06bbeeb0 [0,2,0,0,0,0|1,0,0]=3 4564 B9R0.2 NC(=O)CNCCCC=O 04c7aa833df1a457e4f1c1022205edc1 [0,2,0,0,0,0|1,0,1]=4 4565 B9R0.2 NC(=O)CNCCCCCl 91b0d249813b9537c494010e0ff56806 [0,2,0,0,0,0|1,0,0]=3 4566 B9R0.2 NC(=O)CNCCCCF 266a75105972b45ec53bdac26e4a879c [0,2,0,0,0,0|1,0,0]=3 4567 B9R0.2 NC(=O)CNCCCCO 62ce2ccbca019bf132f148964623dade [0,2,0,0,0,0|1,0,0]=3 4568 B9R0.2 NC(=O)CNCCCCS bd0394cf878f53354803b1f45e074f43 [0,2,0,0,0,0|1,0,0]=3 4569 B9R0.2 NC(=O)COCCCC=O 3331eea59f5b213a8bc883bc25322ee4 [0,2,0,0,0,0|1,0,1]=4 4570 B9R0.2 NC(=O)COCCCCF 14dff0e8e926e633d931e978e32c3d09 [0,2,0,0,0,0|1,0,0]=3 4571 B9R0.2 NC(=O)COCCCCS 287c58cd717f129e5b7b2b33f356b434 [0,2,0,0,0,0|1,0,0]=3 4572 B9R0.2 NC(=O)CSCCOCF 14682c52a5f07c528fa50fb51a4972f8 [0,2,0,0,0,0|2,0,0]=4 4573 B9R0.2 NC(=O)NCCNCCBr 7b6a394120d98a26f1dfd558f05e07cd [0,2,0,0,0,0|2,0,0]=4 4574 B9R0.2 NC(=O)NCCNCCF 35eef7ae71cc5353feac8e98a190f74f [0,2,0,0,0,0|2,0,0]=4 4575 B9R0.2 NC(=O)NCCNCCI d917443d376c7dfdc07bbf005fce671c [0,2,0,0,0,0|2,0,0]=4 4576 B9R0.2 NC(=O)NCCNCCO 2e9bc9ca7cc738e7b6594bad09ee0eb9 [0,2,0,0,0,0|2,0,0]=4 4577 B9R0.2 NC(=O)NCCNCCS 4313366d691e8e9d57893f29664e4c12 [0,2,0,0,0,0|2,0,0]=4 4578 B9R0.2 NC(=O)NCCOCCF 129f1e5c1f899d2f884fde6cbd9ca046 [0,2,0,0,0,0|2,0,0]=4 4579 B9R0.2 NC(=O)NCCOCCS 79cf9a460b8e495c164eb27ce997fa62 [0,2,0,0,0,0|2,0,0]=4 4580 B9R0.2 NC(=O)NCOCCCF d7a0112763cf1b00f62d3ac950564c44 [0,2,0,0,0,0|2,0,0]=4 4581 B9R0.2 NC(=O)NCOCCCS 23550992a6fb2bd448026e7fb1bfb826 [0,2,0,0,0,0|2,0,0]=4 4582 B9R0.2 NC(=O)SCNCCCCl 84fe23d07629c40540b095d1764b1d9c [0,2,0,0,0,0|2,0,0]=4 4583 B9R0.2 NC(=O)SCNCCCO f6394a384382d5519237e2b0a9bd88b2 [0,2,0,0,0,0|2,0,0]=4 4584 B9R0.2 NC(=O)SCOCCCF 2b6ed421c8f12eae9673459ab6cd6345 [0,2,0,0,0,0|2,0,0]=4 4585 B9R0.2 NC(=O)SCOCCCS 2d42f2e5d53bbeef8f8598ad5ca8ce9d [0,2,0,0,0,0|2,0,0]=4 4586 B9R0.2 NC(=S)CCNCCC=O 293319f1d60067fa3fdebf4bb6651783 [0,2,0,0,0,0|1,0,1]=4 4587 B9R0.2 NC(=S)CCNCCCF 805155b546f434c7412ce20b3049b3dd [0,2,0,0,0,0|1,1,0]=4 4588 B9R0.2 NC(=S)CCNCCCO 75ed61683774dafebc495cba1abb320f [0,2,0,0,0,0|1,1,0]=4 4589 B9R0.2 NC(=S)CCNCCCS 0b28be36689f39c6df7ad71695f37a02 [0,2,0,0,0,0|1,1,0]=4 4590 B9R0.2 NC(=S)COCCCC=O 2ae8a21b9656b16fc5d17814df4a82c7 [0,2,0,0,0,0|1,0,1]=4 4591 B9R0.2 NC(=S)COCCCCF 7ba045ff5e578e6979af6ed388990604 [0,2,0,0,0,0|1,1,0]=4 4592 B9R0.2 NOCCNCCC(=O)N 03ffc32aa3bc80027ebbc766920b3bd9 [0,2,0,0,0,0|2,0,0]=4 4593 B9R0.2 NOCCNCCC(=O)O 97fb15aec87da8ce11a044d05cf9bad9 [0,2,0,0,0,0|2,0,0]=4 4594 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [0,2,0,0,0,0|1,0,0]=3 4595 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [0,2,0,0,0,0|1,0,0]=3 4596 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [0,2,0,0,0,0|1,0,0]=3 4597 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [0,2,0,0,0,0|1,0,0]=3 4598 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [0,2,0,0,0,0|1,0,0]=3 4599 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [0,2,0,0,0,0|1,0,0]=3 4600 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [0,2,0,0,0,0|1,0,0]=3 4601 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [0,2,0,0,0,0|1,0,0]=3 4602 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [0,2,0,0,0,0|1,0,0]=3 4603 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [0,2,0,0,0,0|1,0,0]=3 4604 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [0,2,0,0,0,0|1,0,0]=3 4605 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [0,2,0,0,0,0|1,0,0]=3 4606 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [0,2,0,0,0,0|1,0,0]=3 4607 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [0,2,0,0,0,0|1,0,0]=3 4608 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [0,2,0,0,0,0|1,0,0]=3 4609 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [0,2,0,0,0,0|1,0,0]=3 4610 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [0,2,0,0,0,0|1,0,0]=3 4611 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [0,2,0,0,0,0|1,0,0]=3 4612 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [0,2,0,0,0,0|1,0,0]=3 4613 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [0,2,0,0,0,0|1,0,0]=3 4614 B9R0.2 O=C(O)COCCNCF 902de3e0c3be70f497e3e8e70e7c0f34 [0,2,0,0,0,0|2,0,0]=4 4615 B9R0.2 O=C(O)COCCNCO 4781d798b4b2130de47b72b21dee42b8 [0,2,0,0,0,0|2,0,0]=4 4616 B9R0.2 O=C(O)COCCOCF 0f4018af36089db8a76afc74213c9dbd [0,2,0,0,0,0|2,0,0]=4 4617 B9R0.2 O=C(O)CSCCNCF 51afe936143cd16b6a26fab50de7edfe [0,2,0,0,0,0|2,0,0]=4 4618 B9R0.2 O=C(O)CSCCNCO b8a631e6ee072d2b9882ae854b7ed0da [0,2,0,0,0,0|2,0,0]=4 4619 B9R0.2 O=CCCCNCC(=O)O 00744a469b104f3f873a6267c7e8ee73 [0,2,0,0,0,0|1,0,1]=4 4620 B9R0.2 O=CCCCNCC(F)F e67c93e4b3fadd023b61ec9d18a9b3f2 [0,2,0,0,0,0|1,0,0]=3 4621 B9R0.2 O=CCCCOCC(=O)O b0cdc41918441c731c2718b00d81dcd2 [0,2,0,0,0,0|1,0,1]=4 4622 B9R0.2 O=CCCCOCC(F)F 9ee9e1fb98b8c2e6b20bf68d4a2c5074 [0,2,0,0,0,0|1,0,0]=3 4623 B9R0.2 O=CCCCOCS(=O)O 1dcdf7c86a879bcb167a68d25aac0ae8 [0,2,0,0,0,0|2,0,0]=4 4624 B9R0.2 O=CCCCOC[N+](=O)[O-] aed0bd472316fcf107ed38b952783b32 [0,2,0,0,0,0|2,0,0]=4 4625 B9R0.2 O=CCCNCCC(=O)O 65f36927815c9ad4e958ab911ae7459a [0,2,0,0,0,0|1,0,1]=4 4626 B9R0.2 O=CCCNCCC(F)F 0bf1e5b533129c631f450c1de111134f [0,2,0,0,0,0|1,0,0]=3 4627 B9R0.2 O=CCCNCCS(=O)O 5006ea26c2ce1237cdc32fc6352f753b [0,2,0,0,0,0|2,0,0]=4 4628 B9R0.2 O=CCCOCCC(=O)O c361370d412c815155a03ec5c084d013 [0,2,0,0,0,0|1,0,1]=4 4629 B9R0.2 O=CCCOCCC(F)F b4a057f697a98e5f3cec0dff7479867c [0,2,0,0,0,0|1,0,0]=3 4630 B9R0.2 O=CCCOCC[N+](=O)[O-] 5aa90f8de778de3ca3ed11d7ca8051e0 [0,2,0,0,0,0|2,0,0]=4 4631 B9R0.2 O=CCNCCCC(=O)O b0fd6156dd240d44b8433e7a48df34bb [0,2,0,0,0,0|1,0,1]=4 4632 B9R0.2 O=CCNCCOC(F)F 93561656d00400d4522d2a75ff787397 [0,2,0,0,0,0|2,0,0]=4 4633 B9R0.2 O=CCOCCC[N+](=O)[O-] 500719bfa77357a95721eec7faa43b2c [0,2,0,0,0,0|2,0,0]=4 4634 B9R0.2 O=CCOCCOC(F)F 408eb81245a0b92d5502a41eba7f6493 [0,2,0,0,0,0|2,0,0]=4 4635 B9R0.2 O=CNCCCCC(F)F a4b2e7fcaed3b86f361e3ba8965c8b25 [0,2,0,0,0,0|1,0,0]=3 4636 B9R0.2 O=CNCCCOC(F)F bcb0f4c1fc96ea3a90ff5432107387c5 [0,2,0,0,0,0|2,0,0]=4 4637 B9R0.2 O=CNCCOCC(F)F f6f786960e6b632a05c9d45c2a3ba8aa [0,2,0,0,0,0|2,0,0]=4 4638 B9R0.2 O=COCCOCC(F)F 381d7bd9c83ca8a439f79ab3fced2463 [0,2,0,0,0,0|2,0,0]=4 4639 B9R0.2 O=S(O)CCNCCCF 0577de8adf853e021288f6381be8d968 [0,2,0,0,0,0|2,0,0]=4 4640 B9R0.2 O=S(O)CCNCCCO b80775135ee13215474068b2db2ca5f5 [0,2,0,0,0,0|2,0,0]=4 4641 B9R0.2 O=S(O)CCNCCCS fac970679249a41c630115703fcdd583 [0,2,0,0,0,0|2,0,0]=4 4642 B9R0.2 O=S(O)COCCCCF 87791b3ea13bba76918751e06f5547fc [0,2,0,0,0,0|2,0,0]=4 4643 B9R0.2 O=[N+]([O-])CCCCOCF 34ce3e9d4d4d044f38a6aab6e619804c [0,2,0,0,0,0|2,0,0]=4 4644 B9R0.2 O=[N+]([O-])CCCNCCBr d97095d3096a81dd930ebcedc04afbfa [0,2,0,0,0,0|2,0,0]=4 4645 B9R0.2 O=[N+]([O-])CCCNCCF 866c99d5d1c1fc2d40f4c58712fa6470 [0,2,0,0,0,0|2,0,0]=4 4646 B9R0.2 O=[N+]([O-])CCCNCCI 66e47e6a14740eb0763c09765a180df4 [0,2,0,0,0,0|2,0,0]=4 4647 B9R0.2 O=[N+]([O-])CCCNCCO 90f7f1659f973a0f0c96081c2531565c [0,2,0,0,0,0|2,0,0]=4 4648 B9R0.2 O=[N+]([O-])CCCNCCS 8f48d9df371474654d00d20ceb451b89 [0,2,0,0,0,0|2,0,0]=4 4649 B9R0.2 O=[N+]([O-])CCCOCCF 62b985c0a336b3da1fccbd61f9e0c129 [0,2,0,0,0,0|2,0,0]=4 4650 B9R0.2 O=[N+]([O-])CCCOCCS 25f467362081a8714aa87462895c6ca2 [0,2,0,0,0,0|2,0,0]=4 4651 B9R0.2 O=[N+]([O-])CCOCCCF 7f1d2dd6dac2fc4741d02c0c8c1f0cc2 [0,2,0,0,0,0|2,0,0]=4 4652 B9R0.2 O=[N+]([O-])CCOCCCS ec5a51751798205dbe11e69c7a70e2da [0,2,0,0,0,0|2,0,0]=4 4653 B9R0.2 O=[N+]([O-])CNCCCCCl d9106dc6d2931e6c2d7691c418a88654 [0,2,0,0,0,0|2,0,0]=4 4654 B9R0.2 O=[N+]([O-])CNCCCCO c7b7bbbbbed0b17d54f2de7fbc9b845d [0,2,0,0,0,0|2,0,0]=4 4655 B9R0.2 O=[N+]([O-])CNCCCCS ae5d8a496c45c148d58c60bfe8aee958 [0,2,0,0,0,0|2,0,0]=4 4656 B9R0.2 O=[N+]([O-])COCCCCF 83dc5c762a6de902172ff9280deee049 [0,2,0,0,0,0|2,0,0]=4 4657 B9R0.2 O=[N+]([O-])COCCCCS 4943a5e360ef82844e727f1f756fbb9d [0,2,0,0,0,0|2,0,0]=4 4658 B9R0.45 C#CCCCCCNC=O 353c9727650993b322d351830acdf93c [0,2,0,0,0,0|0,0,1]=3 4659 B9R0.45 C#CCCCCCNCC 14ea92e09ae5d59f435532a2fedd7cb8 [0,2,0,0,0,0|1,0,1]=4 4660 B9R0.45 C#CCCCCCNCF a132630539c549999a2e21989d207ba0 [0,2,0,0,0,0|1,0,1]=4 4661 B9R0.45 C#CCCCCCNCO cf6bb6b74bc7cbc903e0c5edbe49e5e1 [0,2,0,0,0,0|1,0,1]=4 4662 B9R0.45 C#CCCCCCOCC 76da78402f2580ea24a7954fbf49c65e [0,2,0,0,0,0|1,0,1]=4 4663 B9R0.45 C#CCCCCCOCF 397c2bfa0c6606c642f8e5aa3464fb70 [0,2,0,0,0,0|1,0,1]=4 4664 B9R0.45 C#CCCCCNCC=C d78ec041ab6e13773300da99e2869930 [0,2,0,0,0,0|1,0,1]=4 4665 B9R0.45 C#CCCCCNCC=O 3a09dc1858ad390906bd1e47abb1db64 [0,2,0,0,0,0|0,0,1]=3 4666 B9R0.45 C#CCCCCNCCBr e95e74757ef79cd4747ad430ebec06a8 [0,2,0,0,0,0|1,0,1]=4 4667 B9R0.45 C#CCCCCNCCC 720f4ace558aca91e3140192969837a4 [0,2,0,0,0,0|1,0,1]=4 4668 B9R0.45 C#CCCCCNCCF 6ed69b0912faad9d59aa7553e88757a1 [0,2,0,0,0,0|1,0,1]=4 4669 B9R0.45 C#CCCCCNCCI 0229fe939fbbe8aa8ac9ed97e35b175a [0,2,0,0,0,0|1,0,1]=4 4670 B9R0.45 C#CCCCCNCCO 1f4e5e7079624fbd8490dae3550d4176 [0,2,0,0,0,0|1,0,1]=4 4671 B9R0.45 C#CCCCCNCCS 5988173ee90cfa4b7c5efacdd25e7518 [0,2,0,0,0,0|1,0,1]=4 4672 B9R0.45 C#CCCCCNCOC 4551373c1aacf56f779dad1ee64093ae [0,2,0,0,0,0|1,0,1]=4 4673 B9R0.45 C#CCCCCNCSC 701e632eda38af8628caf2a55a4c577c [0,2,0,0,0,0|1,0,1]=4 4674 B9R0.45 C#CCCCCOCC=C f78317bf767ec5caf80d65406e67b65a [0,2,0,0,0,0|1,0,1]=4 4675 B9R0.45 C#CCCCCOCC=O 7374e2bc75ec57e5871816f717aa486e [0,2,0,0,0,0|0,0,1]=3 4676 B9R0.45 C#CCCCCOCCC 88be43598906413b514321fe6489b41b [0,2,0,0,0,0|1,0,1]=4 4677 B9R0.45 C#CCCCCOCCF ee0ee41c27b6c0dcee4b4cfd324e738b [0,2,0,0,0,0|1,0,1]=4 4678 B9R0.45 C#CCCCCOCCS d91a165119a0c2f198d6cc123d2605f0 [0,2,0,0,0,0|1,0,1]=4 4679 B9R0.45 C#CCCCCOCOC 5d3c72fd1b8b20b83f22324b05d2e3df [0,2,0,0,0,0|1,0,1]=4 4680 B9R0.45 C#CCCCCOCSC 7a56ff5d2c27a727eb72615953cc492b [0,2,0,0,0,0|1,0,1]=4 4681 B9R0.45 C#CCCCNCCC=C c7b2e4296cfa3308456b55329896ba93 [0,2,0,0,0,0|1,0,1]=4 4682 B9R0.45 C#CCCCNCCC=O 7b0b27f264bc3ae35c14d958ceda0115 [0,2,0,0,0,0|0,0,1]=3 4683 B9R0.45 C#CCCCNCCCC 28864ce458b4f28b4cea859a70886cf4 [0,2,0,0,0,0|1,0,1]=4 4684 B9R0.45 C#CCCCNCCCCl cd95aa526eb69bf347d059b480ab4f39 [0,2,0,0,0,0|1,0,1]=4 4685 B9R0.45 C#CCCCNCCCF 4ab918836000cdb2233948cf525997bd [0,2,0,0,0,0|1,0,1]=4 4686 B9R0.45 C#CCCCNCCCO b300a29970529c1412a12ea9d482593c [0,2,0,0,0,0|1,0,1]=4 4687 B9R0.45 C#CCCCNCCCS ed376de33b35a6b0e216157804adf7ed [0,2,0,0,0,0|1,0,1]=4 4688 B9R0.45 C#CCCCNCCOC 79998fe8a7bd7eb560d6ca9393699cc9 [0,2,0,0,0,0|1,0,1]=4 4689 B9R0.45 C#CCCCNCCSC 1ae5f23074564eb6d90719936871e6a4 [0,2,0,0,0,0|1,0,1]=4 4690 B9R0.45 C#CCCCNCOCC 93e779051663294789c0b853c68a1375 [0,2,0,0,0,0|1,0,1]=4 4691 B9R0.45 C#CCCCOCCC=C b4c78990c18b500a93361a7d17bf66ad [0,2,0,0,0,0|1,0,1]=4 4692 B9R0.45 C#CCCCOCCC=O 6b7d5bb471ddee763f561d365417d401 [0,2,0,0,0,0|0,0,1]=3 4693 B9R0.45 C#CCCCOCCCC 455b20947599c42b63a460c5f97b230b [0,2,0,0,0,0|1,0,1]=4 4694 B9R0.45 C#CCCCOCCCF d6c8b728729dbe18437fb9087e24d074 [0,2,0,0,0,0|1,0,1]=4 4695 B9R0.45 C#CCCCOCCCS 94a677b43a937e2486a406e22f761b20 [0,2,0,0,0,0|1,0,1]=4 4696 B9R0.45 C#CCCCOCCOC 7c80e59c29f8480f2589b30b961227a4 [0,2,0,0,0,0|1,0,1]=4 4697 B9R0.45 C#CCCCOCCSC 8b9a0cc0f155bf0188de34dcab72a447 [0,2,0,0,0,0|1,0,1]=4 4698 B9R0.45 C#CCCCOCOCC e2d7c6e3645ec68305dd6558ba327af3 [0,2,0,0,0,0|1,0,1]=4 4699 B9R0.45 C#CCCNCCCC=C d2d751bd5ca990c5315a2648b5da0045 [0,2,0,0,0,0|1,0,1]=4 4700 B9R0.45 C#CCCNCCCC=O a1f87276a48ea4f220498258837dbff3 [0,2,0,0,0,0|0,0,1]=3 4701 B9R0.45 C#CCCNCCCCC 0b0b4c4dc2ba9dc503e534c3f7a4e896 [0,2,0,0,0,0|1,0,1]=4 4702 B9R0.45 C#CCCNCCCCCl 3bed7bfda5cf48df17abfcef282eb3cd [0,2,0,0,0,0|1,0,1]=4 4703 B9R0.45 C#CCCNCCCCF 7dbc96191953bf8f9693b18152cb2041 [0,2,0,0,0,0|1,0,1]=4 4704 B9R0.45 C#CCCNCCCCO f78936dcf0a298364ad55dd3663d7138 [0,2,0,0,0,0|1,0,1]=4 4705 B9R0.45 C#CCCNCCCCS ad1c7f2bb7e5244df1536877ee2ce730 [0,2,0,0,0,0|1,0,1]=4 4706 B9R0.45 C#CCCNCCCOC 367955759b37f74a287b077c41c9ccc4 [0,2,0,0,0,0|1,0,1]=4 4707 B9R0.45 C#CCCNCCCSC 780c556e3598594540576f7056bf5b6e [0,2,0,0,0,0|1,0,1]=4 4708 B9R0.45 C#CCCNCCOCC e88cecf3b4c0f7947061c179ed5fbdcf [0,2,0,0,0,0|1,0,1]=4 4709 B9R0.45 C#CCCNCCSCC b5a413cc65f3b0fbba992e706c23e5ab [0,2,0,0,0,0|1,0,1]=4 4710 B9R0.45 C#CCCOCCCC=C 08997647697bb89e360e07d63fc814b8 [0,2,0,0,0,0|1,0,1]=4 4711 B9R0.45 C#CCCOCCCC=O a9c0773ccdd8f76a801b34d952a72ab6 [0,2,0,0,0,0|0,0,1]=3 4712 B9R0.45 C#CCCOCCCCC 0b844e7d38a15bf2cf13b79058ea6790 [0,2,0,0,0,0|1,0,1]=4 4713 B9R0.45 C#CCCOCCCCF cd5f57c81d1d8e0ad6cff9acd8dbabc6 [0,2,0,0,0,0|1,0,1]=4 4714 B9R0.45 C#CCCOCCCCS 838cd7e1f68460eb961545bedb5e1436 [0,2,0,0,0,0|1,0,1]=4 4715 B9R0.45 C#CCCOCCCOC 9417d9548988a4899509fc10e916da5e [0,2,0,0,0,0|1,0,1]=4 4716 B9R0.45 C#CCCOCCCSC 3b716fc623c2d640413988b229b18b88 [0,2,0,0,0,0|1,0,1]=4 4717 B9R0.45 C#CCCOCCNC=O d6496abf6e1e78b59380208ceca5d0a6 [0,2,0,0,0,0|0,0,2]=4 4718 B9R0.45 C#CCCOCCOC=O 83211b3a9a2875ee4d94d6c4e4081a42 [0,2,0,0,0,0|0,0,2]=4 4719 B9R0.45 C#CCCOCCOCC 82a7e1612bfbd4337eee757e02dec23e [0,2,0,0,0,0|1,0,1]=4 4720 B9R0.45 C#CCCOCCSCC 42d4ab38ce901a35ffca3412e1318fd4 [0,2,0,0,0,0|1,0,1]=4 4721 B9R0.45 C#CCNCCCCC=C a3a901d0bef3b3152714ca5a97c8b96e [0,2,0,0,0,0|1,0,1]=4 4722 B9R0.45 C#CCNCCCCC=O 02fc946c0a3cb4a5e6c689f7bad2f348 [0,2,0,0,0,0|0,0,1]=3 4723 B9R0.45 C#CCNCCCCCC cb41f91861b4ad09b2fdb148c3b6a6cd [0,2,0,0,0,0|1,0,1]=4 4724 B9R0.45 C#CCNCCCCCCl be0a0cca8c22d045b833eda36ac607ba [0,2,0,0,0,0|1,0,1]=4 4725 B9R0.45 C#CCNCCCCCF 51eef7cb166bc817544e3d38a7a483fd [0,2,0,0,0,0|1,0,1]=4 4726 B9R0.45 C#CCNCCCCCO 2a6580b4fc90a7ba2fafe84f59960589 [0,2,0,0,0,0|1,0,1]=4 4727 B9R0.45 C#CCNCCCCOC 9ada9a38cc13e0c0bb489f61996eb289 [0,2,0,0,0,0|1,0,1]=4 4728 B9R0.45 C#CCNCCCCSC 97bcad6fc009d6178c1c2d7d1d0660df [0,2,0,0,0,0|1,0,1]=4 4729 B9R0.45 C#CCNCCCOCC a0cfa0fe686da872937b3c15e8cda009 [0,2,0,0,0,0|1,0,1]=4 4730 B9R0.45 C#CCNCCCSCC 58950b36ef528c5b7892440c803535fc [0,2,0,0,0,0|1,0,1]=4 4731 B9R0.45 C#CCNCCOCC=O ec71d6891f63f3e69bf4048159a05aa6 [0,2,0,0,0,0|0,0,2]=4 4732 B9R0.45 C#CCNCCOCCC bc7a3d36f27afb3c5ae0db0267d221d9 [0,2,0,0,0,0|1,0,1]=4 4733 B9R0.45 C#CCNCOCCCC 3321f44621206628902b2a732cd2182a [0,2,0,0,0,0|1,0,1]=4 4734 B9R0.45 C#CCOCCCCC=C d7e37c4ec02bf6ecc0ffb73fd3089995 [0,2,0,0,0,0|1,0,1]=4 4735 B9R0.45 C#CCOCCCCC=O f7ac2e6bf97c3a62b974c9b5c6d64ab1 [0,2,0,0,0,0|0,0,1]=3 4736 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [0,2,0,0,0,0|1,0,1]=4 4737 B9R0.45 C#CCOCCCCCF 89a235dac8510b9a4524801f92bc84c3 [0,2,0,0,0,0|1,0,1]=4 4738 B9R0.45 C#CCOCCCCOC 3f1fd5101e004d910ffdf4931a8328f7 [0,2,0,0,0,0|1,0,1]=4 4739 B9R0.45 C#CCOCCCCSC 225a843462dc3e1a46bff372c37a9074 [0,2,0,0,0,0|1,0,1]=4 4740 B9R0.45 C#CCOCCCOCC 20abaa5099e0315604e9a72aa50b5bb7 [0,2,0,0,0,0|1,0,1]=4 4741 B9R0.45 C#CCOCCCSCC 9a4b152668efbd1d04b18d9eb8823cea [0,2,0,0,0,0|1,0,1]=4 4742 B9R0.45 C#CCOCCNCC=O e9817621ccb95048b01608cef1630c3a [0,2,0,0,0,0|0,0,2]=4 4743 B9R0.45 C#CCOCCNCCC 06506c6b1af9254687ec6af1a4593faa [0,2,0,0,0,0|1,0,1]=4 4744 B9R0.45 C#CCOCCOCC=O 9945a58a73adfbe57a2d70b447718f72 [0,2,0,0,0,0|0,0,2]=4 4745 B9R0.45 C#CCOCCOCCC 496f142be4d2894c4541dfd0811f40b6 [0,2,0,0,0,0|1,0,1]=4 4746 B9R0.45 C#CCOCCSCCC ec9817d29f03b1878d231c67e8c0cef8 [0,2,0,0,0,0|1,0,1]=4 4747 B9R0.45 C#CCOCOCCCC 411dd2e894d38798469501e5830892f8 [0,2,0,0,0,0|1,0,1]=4 4748 B9R0.45 C/C=C/CCCOCC=O 1133dd39557966bbfc717550ad829422 [0,2,0,0,0,0|0,0,1]=3 4749 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [0,2,0,0,0,0|1,0,0]=3 4750 B9R0.45 C/C=C/CCCOCCF 293ffe77bb7c228da611fda284865d10 [0,2,0,0,0,0|1,0,1]=4 4751 B9R0.45 C/C=C/CCCOCCS 654ac8eb3a7ab4b78da1a3f3cf78efd7 [0,2,0,0,0,0|1,0,1]=4 4752 B9R0.45 C/C=C/CCCOCOC 1b054da1ebce7deeeff76f4b97613b27 [0,2,0,0,0,0|1,0,1]=4 4753 B9R0.45 C/C=C/CCCOCSC db1d7c1677d94ff35c368616b2e8cdba [0,2,0,0,0,0|1,0,1]=4 4754 B9R0.45 C/C=C/CCOCCC=O c4c6e811a3e16a2c2124752f9d8b1849 [0,2,0,0,0,0|0,0,1]=3 4755 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [0,2,0,0,0,0|1,0,0]=3 4756 B9R0.45 C/C=C/CCOCCCF 7aa23dea8d53e360b9f2d936094e90b4 [0,2,0,0,0,0|1,0,1]=4 4757 B9R0.45 C/C=C/CCOCCCS 16508b6b2e4961769bb0921f28d0d285 [0,2,0,0,0,0|1,0,1]=4 4758 B9R0.45 C/C=C/CCOCCOC 59a729a9ab4033a1eb656d78838ea440 [0,2,0,0,0,0|1,0,1]=4 4759 B9R0.45 C/C=C/CCOCCSC 2d38818cd58c8496cbe29fdb8c8df6f6 [0,2,0,0,0,0|1,0,1]=4 4760 B9R0.45 C/C=C/CCOCOCC 70f3c48b000346091f71231d91c9996a [0,2,0,0,0,0|1,0,1]=4 4761 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [0,2,0,0,0,0|1,0,0]=3 4762 B9R0.45 C/C=C/CNCCCCCl 403d470282ab81a987b4c495ce3e65b2 [0,2,0,0,0,0|1,0,1]=4 4763 B9R0.45 C/C=C/CNCCCCO ed0a9542760a19dc2971710326afc5ed [0,2,0,0,0,0|1,0,1]=4 4764 B9R0.45 C/C=C/CNCCCCS 42dce55feee6c9dd8609de6ac4aac20c [0,2,0,0,0,0|1,0,1]=4 4765 B9R0.45 C/C=C/CNCCCOC d2a8bcecabfc4119973e200bdda0f952 [0,2,0,0,0,0|1,0,1]=4 4766 B9R0.45 C/C=C/CNCCCSC a0c3ea3106200fc97b7a508253b676e7 [0,2,0,0,0,0|1,0,1]=4 4767 B9R0.45 C/C=C/CNCCOCC f6b74339a9458a435ce66f977b560c4d [0,2,0,0,0,0|1,0,1]=4 4768 B9R0.45 C/C=C/CNCCSCC 95eecb3a403e64e60768b69e1118582b [0,2,0,0,0,0|1,0,1]=4 4769 B9R0.45 C/C=C/COCCCC=O a185a9427aaa2100c7d1e383b492c807 [0,2,0,0,0,0|0,0,1]=3 4770 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [0,2,0,0,0,0|1,0,0]=3 4771 B9R0.45 C/C=C/COCCCCF b0a7ff31431d01dbfa0473bc3bacab4f [0,2,0,0,0,0|1,0,1]=4 4772 B9R0.45 C/C=C/COCCCCS ead8e557468ab6fca0834520c9a02bff [0,2,0,0,0,0|1,0,1]=4 4773 B9R0.45 C/C=C/COCCCOC 5f1bc5bcae94818ab169f2532d800a96 [0,2,0,0,0,0|1,0,1]=4 4774 B9R0.45 C/C=C/COCCCSC 3e859da376a456131ea6c3009e2e9528 [0,2,0,0,0,0|1,0,1]=4 4775 B9R0.45 C/C=C/COCCNC=O 7764972bcddf95236adea9e3a0828cfa [0,2,0,0,0,0|0,0,2]=4 4776 B9R0.45 C/C=C/COCCOC=O e819ad25deb5d2df2d81c446421a10a2 [0,2,0,0,0,0|0,0,2]=4 4777 B9R0.45 C/C=C/COCCOCC 63fd2e31279ac1c3bb1fff8b57fcdcc1 [0,2,0,0,0,0|1,0,1]=4 4778 B9R0.45 C/C=C/COCCSCC dfcfe7131818abefbfad7e2a62a434a4 [0,2,0,0,0,0|1,0,1]=4 4779 B9R0.45 C/C=C\CCCNCCBr 3ec8a3cd206cf339f1ac099b5ff6cc70 [0,2,0,0,0,0|1,0,1]=4 4780 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [0,2,0,0,0,0|1,0,0]=3 4781 B9R0.45 C/C=C\CCCNCCF 283361902fb3c78650af87b7c5748776 [0,2,0,0,0,0|1,0,1]=4 4782 B9R0.45 C/C=C\CCCNCCI f21b259cb36428756e868214168d88d1 [0,2,0,0,0,0|1,0,1]=4 4783 B9R0.45 C/C=C\CCCNCCO 901ecd7afc50202c54f6e79e74ff88fa [0,2,0,0,0,0|1,0,1]=4 4784 B9R0.45 C/C=C\CCCNCCS 576b49cef031c3fed7468a94c3f02c04 [0,2,0,0,0,0|1,0,1]=4 4785 B9R0.45 C/C=C\CCCOCC=O d18705bb046350f1567ecd8aed8ca6a7 [0,2,0,0,0,0|0,0,1]=3 4786 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [0,2,0,0,0,0|1,0,0]=3 4787 B9R0.45 C/C=C\CCCOCCF 27d69654f0c177d54bde61ba62492973 [0,2,0,0,0,0|1,0,1]=4 4788 B9R0.45 C/C=C\CCCOCCS 3b63f4b7228ccb7acd58077940f7635c [0,2,0,0,0,0|1,0,1]=4 4789 B9R0.45 C/C=C\CCCOCOC 468d16367ade1ec2e5c893afddf6b7c0 [0,2,0,0,0,0|1,0,1]=4 4790 B9R0.45 C/C=C\CCCOCSC 06123fa9e675d4006d38ffd2014f2008 [0,2,0,0,0,0|1,0,1]=4 4791 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [0,2,0,0,0,0|1,0,0]=3 4792 B9R0.45 C/C=C\CNCCCCCl d6e4fe895f7ef2b8fd417beea3d06ba1 [0,2,0,0,0,0|1,0,1]=4 4793 B9R0.45 C/C=C\CNCCCCO 1d08969d68ccbef78e75866e633febcf [0,2,0,0,0,0|1,0,1]=4 4794 B9R0.45 C/C=C\CNCCCCS ee4c8a80fc61b5dece65cfcc4ca86e95 [0,2,0,0,0,0|1,0,1]=4 4795 B9R0.45 C/C=C\CNCCCOC 9d59f702f547863e47dcef2fd64f1076 [0,2,0,0,0,0|1,0,1]=4 4796 B9R0.45 C/C=C\CNCCCSC cc9fe3e4ecf87d5e0af0a89dd0b9be85 [0,2,0,0,0,0|1,0,1]=4 4797 B9R0.45 C/C=C\CNCCOCC ba717dd4ff72ae30428deaceceb8e900 [0,2,0,0,0,0|1,0,1]=4 4798 B9R0.45 C/C=C\CNCCSCC 2344b094cedbab19eb8690e73e8bd09c [0,2,0,0,0,0|1,0,1]=4 4799 B9R0.45 C/C=C\COCCCC=O 1b77c800485ae4c0e70553fb49479328 [0,2,0,0,0,0|0,0,1]=3 4800 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [0,2,0,0,0,0|1,0,0]=3 4801 B9R0.45 C/C=C\COCCCCF 4a23eeff00f906196af3c2b6cb55a437 [0,2,0,0,0,0|1,0,1]=4 4802 B9R0.45 C/C=C\COCCCCS 4dc475746e1fe6ee2835b6bd42d9f2cf [0,2,0,0,0,0|1,0,1]=4 4803 B9R0.45 C/C=C\COCCCOC 70d17fbec46f317997436441f1a708dd [0,2,0,0,0,0|1,0,1]=4 4804 B9R0.45 C/C=C\COCCCSC 0b7bc762f4b85e8dd03675e638fdc3a7 [0,2,0,0,0,0|1,0,1]=4 4805 B9R0.45 C/C=C\COCCNC=O 2bb531fc7a9042f299fa72c052680a0e [0,2,0,0,0,0|0,0,2]=4 4806 B9R0.45 C/C=C\COCCOC=O 17d1af70c1d9a0bec32f4992817ff790 [0,2,0,0,0,0|0,0,2]=4 4807 B9R0.45 C/C=C\COCCOCC f9def2c1c1305f202dbf7f1c0e571fc4 [0,2,0,0,0,0|1,0,1]=4 4808 B9R0.45 C/C=C\COCCSCC 6029c7fe7770a1e49d0d0365a70777a3 [0,2,0,0,0,0|1,0,1]=4 4809 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [0,2,0,0,0,0|1,0,1]=4 4810 B9R0.45 C=C=CCCOCCC=O c574f8183adc74972345d4934f093a2d [0,2,0,0,0,0|0,0,2]=4 4811 B9R0.45 C=C=CCCOCCCC 5bd6b2c5c25cc2126ad420d63c19c871 [0,2,0,0,0,0|1,0,0]=3 4812 B9R0.45 C=C=CCCOCCCF f32bbd1607310b8957a11f5ab5026833 [0,2,0,0,0,0|2,0,0]=4 4813 B9R0.45 C=C=CCCOCCCS 88dd70ec2232058b36759f0d2ccd64f5 [0,2,0,0,0,0|2,0,0]=4 4814 B9R0.45 C=C=CCCOCCOC 2f73065aed8e0eff7d3149ecfddebc3a [0,2,0,0,0,0|2,0,0]=4 4815 B9R0.45 C=C=CCCOCCSC 3195f535d75753998c906fda4d23644b [0,2,0,0,0,0|2,0,0]=4 4816 B9R0.45 C=C=CCCOCOCC f39907bfb41226b90de75a1cc9f7663a [0,2,0,0,0,0|2,0,0]=4 4817 B9R0.45 C=CCC#CCCOCC 5a601c857b0ffa60cac2230e7986e203 [0,2,0,0,0,0|1,0,1]=4 4818 B9R0.45 C=CCCCCCNC#N a313138bf50042e8679c0f806a40b2dc [0,2,0,0,0,0|1,0,1]=4 4819 B9R0.45 C=CCCCCCNC=O 37acb8face8da4e33847766c3e966de6 [0,2,0,0,0,0|0,0,1]=3 4820 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [0,2,0,0,0,0|1,0,0]=3 4821 B9R0.45 C=CCCCCCNCF 5758c179fab104be34b09f047afc1fd5 [0,2,0,0,0,0|1,0,0]=3 4822 B9R0.45 C=CCCCCCNCO 4058549cb0627342cdb023e8e5d092ea [0,2,0,0,0,0|1,0,0]=3 4823 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [0,2,0,0,0,0|1,0,0]=3 4824 B9R0.45 C=CCCCCCOCF b04f839cfe9fd44ba94f605d82c4d0ae [0,2,0,0,0,0|1,0,0]=3 4825 B9R0.45 C=CCCCCNCC#N 2ad77bd371653a60f1ff04933681599b [0,2,0,0,0,0|1,0,1]=4 4826 B9R0.45 C=CCCCCNCC=C 8ac5ddba0a702b080640fb7723c96adf [0,2,0,0,0,0|1,0,1]=4 4827 B9R0.45 C=CCCCCNCC=O f0ee6c8a8d5e62e34bed7266da448702 [0,2,0,0,0,0|0,0,1]=3 4828 B9R0.45 C=CCCCCNCCBr 07640e6f216624020c084c51b2b6c0e3 [0,2,0,0,0,0|1,0,0]=3 4829 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [0,2,0,0,0,0|1,0,0]=3 4830 B9R0.45 C=CCCCCNCCF bb135346f8d1f2fd9649100cc9cfdedb [0,2,0,0,0,0|1,0,0]=3 4831 B9R0.45 C=CCCCCNCCI 0a6513107528ba2abea852f44f3eb8ef [0,2,0,0,0,0|1,0,0]=3 4832 B9R0.45 C=CCCCCNCCO e90dd5dffbcd01a756bbd1f730cda699 [0,2,0,0,0,0|1,0,0]=3 4833 B9R0.45 C=CCCCCNCCS 981cc28718f0e82344c822015e52ce6e [0,2,0,0,0,0|1,0,0]=3 4834 B9R0.45 C=CCCCCNCOC 5b0c229bd641ac48d7ec078b3fc2ec2d [0,2,0,0,0,0|1,0,0]=3 4835 B9R0.45 C=CCCCCNCSC 12aaafcb136d8a0d0bd01b0db509102e [0,2,0,0,0,0|1,0,0]=3 4836 B9R0.45 C=CCCCCOCC#N a8150f7aee9c61a221c4e7ea08a06750 [0,2,0,0,0,0|1,0,1]=4 4837 B9R0.45 C=CCCCCOCC=C f6554188cdda1eefbb9a452a96a54e31 [0,2,0,0,0,0|1,0,1]=4 4838 B9R0.45 C=CCCCCOCC=O 4cdebe78f89dc273e9c86e4da9bd53c6 [0,2,0,0,0,0|0,0,1]=3 4839 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [0,2,0,0,0,0|1,0,0]=3 4840 B9R0.45 C=CCCCCOCCF e5688e416989ce0b8e2de252ce333c03 [0,2,0,0,0,0|1,0,0]=3 4841 B9R0.45 C=CCCCCOCCS 10dfd3c079a28d4d3066722414bfb2da [0,2,0,0,0,0|1,0,0]=3 4842 B9R0.45 C=CCCCCOCOC 374793be8a31c9ce728cb14abf402af4 [0,2,0,0,0,0|1,0,0]=3 4843 B9R0.45 C=CCCCCOCSC 195324d17fdf202ccef6359b6b5e3bb9 [0,2,0,0,0,0|1,0,0]=3 4844 B9R0.45 C=CCCCNC/C=C/C fb3782a10c4d33233632860c17fdaa43 [0,2,0,0,0,0|1,0,1]=4 4845 B9R0.45 C=CCCCNC/C=C\C d5dad80f1574225afeda9468d4b60d7e [0,2,0,0,0,0|1,0,1]=4 4846 B9R0.45 C=CCCCNCC#CC 87ac65d43f5a8a3e58639a6485607d8b [0,2,0,0,0,0|1,0,1]=4 4847 B9R0.45 C=CCCCNCC=CC 2bf96698450b4b31f485adb559739e82 [0,2,0,0,0,0|1,0,1]=4 4848 B9R0.45 C=CCCCNCCC#N fb7e469192280ba149e13ff37a03ab8a [0,2,0,0,0,0|1,0,1]=4 4849 B9R0.45 C=CCCCNCCC=C c42b4450581d48e6b8cf2987820be704 [0,2,0,0,0,0|1,0,1]=4 4850 B9R0.45 C=CCCCNCCC=O b5f2a59fd8e719a8a9da68d8ba7268fd [0,2,0,0,0,0|0,0,1]=3 4851 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [0,2,0,0,0,0|1,0,0]=3 4852 B9R0.45 C=CCCCNCCCCl c0c501ba24935f3fdc55a6800c85d9f5 [0,2,0,0,0,0|1,0,0]=3 4853 B9R0.45 C=CCCCNCCCF 4fbf6888b4902e4977d561796e7f3c35 [0,2,0,0,0,0|1,0,0]=3 4854 B9R0.45 C=CCCCNCCCO 49ff67fd32a7e48d035cc39e8c6c93f5 [0,2,0,0,0,0|1,0,0]=3 4855 B9R0.45 C=CCCCNCCCS e91fc8975e9281b0c28f44d8e3139816 [0,2,0,0,0,0|1,0,0]=3 4856 B9R0.45 C=CCCCNCCOC 759115f4101e6143ad6ba137d2cb2134 [0,2,0,0,0,0|1,0,0]=3 4857 B9R0.45 C=CCCCNCCON d31c36d2194ee619510de9dc5f431209 [0,2,0,0,0,0|2,0,0]=4 4858 B9R0.45 C=CCCCNCCSC 835ee46189c1f88d4cdbdcc67650ffcb [0,2,0,0,0,0|1,0,0]=3 4859 B9R0.45 C=CCCCNCOCC f02bd04312dd897bff39b6bd9b93bc49 [0,2,0,0,0,0|1,0,0]=3 4860 B9R0.45 C=CCCCOC/C=C/C 05c96fd8abfc3fdf74fb0323f2f48dbf [0,2,0,0,0,0|1,0,1]=4 4861 B9R0.45 C=CCCCOC/C=C\C 902e933d7ba15166c4985c2aa372e51c [0,2,0,0,0,0|1,0,1]=4 4862 B9R0.45 C=CCCCOCC#CC 5e5b5bd902c9335cbe7cc6a844f9de15 [0,2,0,0,0,0|1,0,1]=4 4863 B9R0.45 C=CCCCOCC=CC 50d5479cc639ba2b73444d482db48fbf [0,2,0,0,0,0|1,0,1]=4 4864 B9R0.45 C=CCCCOCCC#N 32c43a5008f4464aed97cb032c8199f4 [0,2,0,0,0,0|1,0,1]=4 4865 B9R0.45 C=CCCCOCCC=C 295e6ddf540018db3a0c5b09f6fc6942 [0,2,0,0,0,0|1,0,1]=4 4866 B9R0.45 C=CCCCOCCC=O c8bdd6d9eb4b2f37ce346479c10f311b [0,2,0,0,0,0|0,0,1]=3 4867 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [0,2,0,0,0,0|1,0,0]=3 4868 B9R0.45 C=CCCCOCCCF 2e6d7089b14dd641e54a76ae7dadaa14 [0,2,0,0,0,0|1,0,0]=3 4869 B9R0.45 C=CCCCOCCCS 00ab52b736b42ecb74aa8e1b43a7e9be [0,2,0,0,0,0|1,0,0]=3 4870 B9R0.45 C=CCCCOCCOC 3f3e29bd58ea27c0ff854dd25e431ca0 [0,2,0,0,0,0|1,0,0]=3 4871 B9R0.45 C=CCCCOCCSC 27b8b1769c1651eaa64484ccb85191f8 [0,2,0,0,0,0|1,0,0]=3 4872 B9R0.45 C=CCCCOCOCC 1cb3725d57ca40858b757ece9ea622f2 [0,2,0,0,0,0|1,0,0]=3 4873 B9R0.45 C=CCCNC/C=C/CC def195dbff5584bfe012c7ee379501c2 [0,2,0,0,0,0|1,0,1]=4 4874 B9R0.45 C=CCCNCC#CCC 756aad1ae79f203bf6ea97d7555b4a3f [0,2,0,0,0,0|1,0,1]=4 4875 B9R0.45 C=CCCNCCCC#N 57940563efaf00352bfb203b8b05c9d8 [0,2,0,0,0,0|1,0,1]=4 4876 B9R0.45 C=CCCNCCCC=O b39d2f6f1f09b8a0598e7314d1e74905 [0,2,0,0,0,0|0,0,1]=3 4877 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [0,2,0,0,0,0|1,0,0]=3 4878 B9R0.45 C=CCCNCCCCCl a117ce913481632f0688d24994247e2a [0,2,0,0,0,0|1,0,0]=3 4879 B9R0.45 C=CCCNCCCCF efc5a9a56f0e77778e0d77be991290d0 [0,2,0,0,0,0|1,0,0]=3 4880 B9R0.45 C=CCCNCCCCO 483ccf905bb3e32f0679d7de05961fd6 [0,2,0,0,0,0|1,0,0]=3 4881 B9R0.45 C=CCCNCCCCS eb80eda9fad56453c79d6797c2b54750 [0,2,0,0,0,0|1,0,0]=3 4882 B9R0.45 C=CCCNCCCOC f114ed09e62c1c84dddd4497e61d0709 [0,2,0,0,0,0|1,0,0]=3 4883 B9R0.45 C=CCCNCCCSC 82fa4646237d709aa853365c812d6ebb [0,2,0,0,0,0|1,0,0]=3 4884 B9R0.45 C=CCCNCCOCC 3004d01d837d0f88a49d7ce90fd1bde4 [0,2,0,0,0,0|1,0,0]=3 4885 B9R0.45 C=CCCNCCSCC 407d8c67af07288795fc606cb0bad476 [0,2,0,0,0,0|1,0,0]=3 4886 B9R0.45 C=CCCOC/C=C/CC 93f37936ec932f02a04d1af23fc6d4a6 [0,2,0,0,0,0|1,0,1]=4 4887 B9R0.45 C=CCCOC/C=C\CC 353d8f09b866f9610d2a0a5c958988fe [0,2,0,0,0,0|1,0,1]=4 4888 B9R0.45 C=CCCOCC#CCC 42ae0d71f72e633c4a8b2d49a1332127 [0,2,0,0,0,0|1,0,1]=4 4889 B9R0.45 C=CCCOCC/C=C/C 02bc0dfb02cee894d1854f0d5bcd976d [0,2,0,0,0,0|1,0,1]=4 4890 B9R0.45 C=CCCOCCC#CC ae7dbff157c3634fda07427f5e28de39 [0,2,0,0,0,0|1,0,1]=4 4891 B9R0.45 C=CCCOCCCC#N eff93b39875a1a2653a06dc6f83debe6 [0,2,0,0,0,0|1,0,1]=4 4892 B9R0.45 C=CCCOCCCC=O 7836d275180373c5f8265311bdcc7219 [0,2,0,0,0,0|0,0,1]=3 4893 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [0,2,0,0,0,0|1,0,0]=3 4894 B9R0.45 C=CCCOCCCCF d4ec7484466a64c13890e327fd29e039 [0,2,0,0,0,0|1,0,0]=3 4895 B9R0.45 C=CCCOCCCCS 46572775d6dca25538d12c4917173d07 [0,2,0,0,0,0|1,0,0]=3 4896 B9R0.45 C=CCCOCCCOC 2c2711f1681894e043a28c331b1790e2 [0,2,0,0,0,0|1,0,0]=3 4897 B9R0.45 C=CCCOCCCSC a45023388d7b0125e3891a4f7bb25903 [0,2,0,0,0,0|1,0,0]=3 4898 B9R0.45 C=CCCOCCNC=O fcf0b9e1b7f9441ddd6414ff3f5d365f [0,2,0,0,0,0|0,0,2]=4 4899 B9R0.45 C=CCCOCCOC=O 669d6dddab0aec33a8de73c11c6d8591 [0,2,0,0,0,0|0,0,2]=4 4900 B9R0.45 C=CCCOCCOCC d362d26f2d685dd3fa35bff0ccc84647 [0,2,0,0,0,0|1,0,0]=3 4901 B9R0.45 C=CCCOCCSCC fcb13c630a689c43c3fade0981e1cb62 [0,2,0,0,0,0|1,0,0]=3 4902 B9R0.45 C=CCNCCCCC#N 6f4980f5094b63f5f6ff1459fb501dbe [0,2,0,0,0,0|1,0,1]=4 4903 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [0,2,0,0,0,0|1,0,0]=3 4904 B9R0.45 C=CCNCCCCCCl 39b003764fbe36df5eaf2287055cfd68 [0,2,0,0,0,0|1,0,0]=3 4905 B9R0.45 C=CCNCCCCCO b81fe78c797f2a70aa21f5595d13d0f6 [0,2,0,0,0,0|1,0,0]=3 4906 B9R0.45 C=CCNCCCCOC 8d21e2ed462bb4954ce80ad5a5ca8a27 [0,2,0,0,0,0|1,0,0]=3 4907 B9R0.45 C=CCNCCCCSC cb376474ea5d0373c451927e013a14c9 [0,2,0,0,0,0|1,0,0]=3 4908 B9R0.45 C=CCNCCCOCC 2c5fb06034b78ea915033df9203a28d2 [0,2,0,0,0,0|1,0,0]=3 4909 B9R0.45 C=CCNCCOCCC 2f529c37c6157fe0a2cf6ac6ecb62671 [0,2,0,0,0,0|1,0,0]=3 4910 B9R0.45 C=CCNCCOCCO bc56290d34b38e37fb1d7738d9ad2f64 [0,2,0,0,0,0|2,0,0]=4 4911 B9R0.45 C=CCNCCOCCS 6fd5382e230b67cdd561d891d88a4788 [0,2,0,0,0,0|2,0,0]=4 4912 B9R0.45 C=CCNCCSCCO ebc87df9fab511d2adbcb824964ed78b [0,2,0,0,0,0|2,0,0]=4 4913 B9R0.45 C=CCOC/C=C/CCC 03f943a302f07b256fea7fe612c77864 [0,2,0,0,0,0|1,0,1]=4 4914 B9R0.45 C=CCOC/C=C\CCC 4432a6c92de315c9d357463297069e17 [0,2,0,0,0,0|1,0,1]=4 4915 B9R0.45 C=CCOCC#CCCC 61960cad58b07faaa39f31a59372818c [0,2,0,0,0,0|1,0,1]=4 4916 B9R0.45 C=CCOCC/C=C/CC d3a6361fd98a3a77c09decf732113b8c [0,2,0,0,0,0|1,0,1]=4 4917 B9R0.45 C=CCOCC/C=C\CC 75e789e3e347a0b07ef9e85b5dbe7cef [0,2,0,0,0,0|1,0,1]=4 4918 B9R0.45 C=CCOCCC#CCC 38b5618438defebc0d615743ee804bec [0,2,0,0,0,0|1,0,1]=4 4919 B9R0.45 C=CCOCCC/C=C/C 217b2434c43204a188c3b14919533da4 [0,2,0,0,0,0|1,0,1]=4 4920 B9R0.45 C=CCOCCC/C=C\C a944933b0505ca3c9235967299c45883 [0,2,0,0,0,0|1,0,1]=4 4921 B9R0.45 C=CCOCCCC#CC bd10cca88eafe64817f19111770d9999 [0,2,0,0,0,0|1,0,1]=4 4922 B9R0.45 C=CCOCCCC=CC 0f2672606a77485816b1b1be6b9e708b [0,2,0,0,0,0|1,0,1]=4 4923 B9R0.45 C=CCOCCCCC#N 9b9458085a9c36131d7507247e12680a [0,2,0,0,0,0|1,0,1]=4 4924 B9R0.45 C=CCOCCCCC=O 37f121bf5671a3553e184a5b90c564ae [0,2,0,0,0,0|0,0,1]=3 4925 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [0,2,0,0,0,0|1,0,0]=3 4926 B9R0.45 C=CCOCCCCOC 128cb8201d6a9addfa90ce2aa3d56855 [0,2,0,0,0,0|1,0,0]=3 4927 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [0,2,0,0,0,0|1,0,0]=3 4928 B9R0.45 C=CCOCCCOCC 07f39b6bf8d420b1e0d79a059a1cabfd [0,2,0,0,0,0|1,0,0]=3 4929 B9R0.45 C=CCOCCCSCC 010127de1abeb4b03bb349c6ddd307c9 [0,2,0,0,0,0|1,0,0]=3 4930 B9R0.45 C=CCOCCNCCBr 489407cc9f6e4cb0888de594893b5bb6 [0,2,0,0,0,0|2,0,0]=4 4931 B9R0.45 C=CCOCCNCCC 9694c4d9a9f18cb3ea4ec1572bfb4ddb [0,2,0,0,0,0|1,0,0]=3 4932 B9R0.45 C=CCOCCNCCF d3ca3fa67b449337438ce4b90bfbb64a [0,2,0,0,0,0|2,0,0]=4 4933 B9R0.45 C=CCOCCNCCI 49d8851e5849763ee217c4bfab4918ff [0,2,0,0,0,0|2,0,0]=4 4934 B9R0.45 C=CCOCCNCCO 637d5384b367c2111cf0eccdf31f0731 [0,2,0,0,0,0|2,0,0]=4 4935 B9R0.45 C=CCOCCNCCS 02176bc66981ce342fea75fbe04f7cf2 [0,2,0,0,0,0|2,0,0]=4 4936 B9R0.45 C=CCOCCOCC=O e4b73568850416f4ea1023ab94f464f0 [0,2,0,0,0,0|0,0,2]=4 4937 B9R0.45 C=CCOCCOCCC efb69812f28efe0f9f62374b7669e490 [0,2,0,0,0,0|1,0,0]=3 4938 B9R0.45 C=CCOCCOCCF 3e0ad86dbc12511e2d2d4758fd9a036d [0,2,0,0,0,0|2,0,0]=4 4939 B9R0.45 C=CCOCCOCCS 70624696cc5e418779f211a09f520b40 [0,2,0,0,0,0|2,0,0]=4 4940 B9R0.45 C=CCOCCOCOC 1ad856357ce40e0de6ec31b427d3edaa [0,2,0,0,0,0|2,0,0]=4 4941 B9R0.45 C=CCOCCOCSC d10afb030a3f3094283be81776346e0e [0,2,0,0,0,0|2,0,0]=4 4942 B9R0.45 C=CCOCCSCCC 06be4be84f87fa36d14a267f98502073 [0,2,0,0,0,0|1,0,0]=3 4943 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [0,2,0,0,0,0|1,0,0]=3 4944 B9R0.45 C=COCCCCOCF 50c0607f55a8209e7fc37c96dd312573 [0,2,0,0,0,0|2,0,0]=4 4945 B9R0.45 C=COCCCNCC=O d1b8cec6c4446a37f94418572c0f2b2e [0,2,0,0,0,0|0,0,2]=4 4946 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [0,2,0,0,0,0|1,0,0]=3 4947 B9R0.45 C=COCCCNCCF 8a4377b1293c4c3a356c117bc22f1276 [0,2,0,0,0,0|2,0,0]=4 4948 B9R0.45 C=COCCCNCCO 06c96074c4860e09f343f58912e6352b [0,2,0,0,0,0|2,0,0]=4 4949 B9R0.45 C=COCCCNCCS 82042d396eed08d179f973d36b8680d2 [0,2,0,0,0,0|2,0,0]=4 4950 B9R0.45 C=COCCCNCOC 7165fb7dc1db9d60dd04e6f58d60b83f [0,2,0,0,0,0|2,0,0]=4 4951 B9R0.45 C=COCCCNCSC 1218193fde8f5b9da4d83a81f4ceeacd [0,2,0,0,0,0|2,0,0]=4 4952 B9R0.45 C=COCCNCCC=O 153c0a3143369e95ecaf8adab41d9798 [0,2,0,0,0,0|0,0,2]=4 4953 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [0,2,0,0,0,0|1,0,0]=3 4954 B9R0.45 C=COCCNCCCF f3e2b4fd1de0dc9bbf62d1b344a7bac4 [0,2,0,0,0,0|2,0,0]=4 4955 B9R0.45 C=COCCNCCCO d27f80adf1430ea08deaa2cefb519d7b [0,2,0,0,0,0|2,0,0]=4 4956 B9R0.45 C=COCCNCCCS 3141383726fb60b6effd0dcc6457a22f [0,2,0,0,0,0|2,0,0]=4 4957 B9R0.45 C=COCCNCCOC 8998d3f2852cb060cf80f9e513ded42d [0,2,0,0,0,0|2,0,0]=4 4958 B9R0.45 C=COCCNCCSC 0eb4df1ced90f3cd2e7965b4838f2c42 [0,2,0,0,0,0|2,0,0]=4 4959 B9R0.45 C=COCCNCOCC 1307fb188bd023c0a1e33682053c534b [0,2,0,0,0,0|2,0,0]=4 4960 B9R0.45 C=COCCOCCC=O 934f6180f8ff75aa610fcf5b6c5cfee7 [0,2,0,0,0,0|0,0,2]=4 4961 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [0,2,0,0,0,0|1,0,0]=3 4962 B9R0.45 C=COCCOCCCF 325dbbe62a7d23e9a09f0f079dac21f6 [0,2,0,0,0,0|2,0,0]=4 4963 B9R0.45 C=COCCOCCCS 84870c3b7ba54bfa81156e923badff1a [0,2,0,0,0,0|2,0,0]=4 4964 B9R0.45 C=COCCOCCOC d5c7454fb8eeee486998f67fc36cc9ef [0,2,0,0,0,0|2,0,0]=4 4965 B9R0.45 C=COCCOCCSC 711c9866788c25cca93044aa576a1794 [0,2,0,0,0,0|2,0,0]=4 4966 B9R0.45 C=COCCOCOCC 126e9a328f128a52a96dcf4759bdbcbd [0,2,0,0,0,0|2,0,0]=4 4967 B9R0.45 CC#CCCCOCC=O 663ad91ba809ad42bac7437ef74a39d4 [0,2,0,0,0,0|0,0,1]=3 4968 B9R0.45 CC#CCCCOCCC 4902122539f36e7166b52eecca3e8eb9 [0,2,0,0,0,0|1,0,1]=4 4969 B9R0.45 CC#CCCOCCC=O adbd8f28d576c2681f49f27738617938 [0,2,0,0,0,0|0,0,1]=3 4970 B9R0.45 CC#CCCOCCCC c72a6c42998742ae583736d95f423721 [0,2,0,0,0,0|1,0,1]=4 4971 B9R0.45 CC#CCNCCCC=O bcce9f4979a2e0e65bb7ba52ff1f90f5 [0,2,0,0,0,0|0,0,1]=3 4972 B9R0.45 CC#CCNCCCCC d47d5b8099240cd81266a014f02e6c5e [0,2,0,0,0,0|1,0,1]=4 4973 B9R0.45 CC#CCOCCCC=O c6eeb649665bb251aa6aec99d9e318c2 [0,2,0,0,0,0|0,0,1]=3 4974 B9R0.45 CC#CCOCCCCC 07d04e7fc4125bc3518c9cd0bb6a8ff5 [0,2,0,0,0,0|1,0,1]=4 4975 B9R0.45 CC#CCOCCOC=O 99367d885087b4d5132fdf1004ef0c19 [0,2,0,0,0,0|0,0,2]=4 4976 B9R0.45 CC/C=C/CCOCC=O ad17a670e163a34530891c854a5f696c [0,2,0,0,0,0|0,0,1]=3 4977 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [0,2,0,0,0,0|1,0,1]=4 4978 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [0,2,0,0,0,0|1,0,1]=4 4979 B9R0.45 CC/C=C/COCCC=O d6f550e324359bfac415f041e46bdeb8 [0,2,0,0,0,0|0,0,1]=3 4980 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [0,2,0,0,0,0|1,0,1]=4 4981 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [0,2,0,0,0,0|1,0,1]=4 4982 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [0,2,0,0,0,0|1,0,1]=4 4983 B9R0.45 CC/C=C\CCOCC=O 43305c6de6e2aa8f989b2fa311880427 [0,2,0,0,0,0|0,0,1]=3 4984 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [0,2,0,0,0,0|1,0,1]=4 4985 B9R0.45 CC/C=C\COCCC=O c07660cf26a3506f42ef614da4e3c32d [0,2,0,0,0,0|0,0,1]=3 4986 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [0,2,0,0,0,0|1,0,1]=4 4987 B9R0.45 CC=C=CCCOCC=O 0f361a9da239db8dcd2c6df0de08065a [0,2,0,0,0,0|0,0,2]=4 4988 B9R0.45 CC=C=CCCOCCC c98648b64a6bd61fce8033f3515764f0 [0,2,0,0,0,0|1,0,1]=4 4989 B9R0.45 CC=CCCCOCC=O a48ec6b46a57870327d7e3aa293527bd [0,2,0,0,0,0|0,0,1]=3 4990 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [0,2,0,0,0,0|1,0,0]=3 4991 B9R0.45 CC=CCCCOCCF dbd226b7210a3389dec602609fd6287c [0,2,0,0,0,0|1,0,1]=4 4992 B9R0.45 CC=CCCCOCCS 7bd8f4a474396aa849783a36358f8476 [0,2,0,0,0,0|1,0,1]=4 4993 B9R0.45 CC=CCCCOCOC 72b71ebeadbfae707e88713e17d937d7 [0,2,0,0,0,0|1,0,1]=4 4994 B9R0.45 CC=CCCCOCSC a1d08f1eea46f54aa4275162125103ce [0,2,0,0,0,0|1,0,1]=4 4995 B9R0.45 CC=CCNCCCC=O 1a18e01e901881cc24737017710eefb2 [0,2,0,0,0,0|0,0,1]=3 4996 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [0,2,0,0,0,0|1,0,0]=3 4997 B9R0.45 CC=CCNCCCCF 62744c6021832e453433ea5e1cec96b9 [0,2,0,0,0,0|1,0,1]=4 4998 B9R0.45 CC=CCNCCCCO b6b45149b09015d2bafd23ae2a68f9c1 [0,2,0,0,0,0|1,0,1]=4 4999 B9R0.45 CC=CCNCCCOC b51c625de33f835a1cb45133d506e071 [0,2,0,0,0,0|1,0,1]=4 5000 B9R0.45 CC=CCNCCCSC 1f53d026b2687eb5d595941ef6929c04 [0,2,0,0,0,0|1,0,1]=4 5001 B9R0.45 CC=CCNCCOCC 7f373513c7f9bc55d0ea8511b91de21d [0,2,0,0,0,0|1,0,1]=4 5002 B9R0.45 CC=CCNCCSCC 1a215b32363568fc2cf3fa953039a194 [0,2,0,0,0,0|1,0,1]=4 5003 B9R0.45 CC=CCOCCCC=O 069786811dbce850711240f2a30802c2 [0,2,0,0,0,0|0,0,1]=3 5004 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [0,2,0,0,0,0|1,0,0]=3 5005 B9R0.45 CC=CCOCCCCF 6a8cb9313ca4b7bd38d5b438c4e9236e [0,2,0,0,0,0|1,0,1]=4 5006 B9R0.45 CC=CCOCCCOC 0948e1eb74f1a2c9a6b4cce71af0db97 [0,2,0,0,0,0|1,0,1]=4 5007 B9R0.45 CC=CCOCCCSC 931be6d2224eec3dcf1624c2b5a2a6e2 [0,2,0,0,0,0|1,0,1]=4 5008 B9R0.45 CC=CCOCCOCC 8aaf0b6d05c0e664561b324cae6670b9 [0,2,0,0,0,0|1,0,1]=4 5009 B9R0.45 CC=CCOCCSCC 1bfa6bc70dcde019a8187f955a73222b [0,2,0,0,0,0|1,0,1]=4 5010 B9R0.45 CCC#CCCOCC=O f3592ea51856d33dfc0b4bb86b6a1514 [0,2,0,0,0,0|0,0,1]=3 5011 B9R0.45 CCC#CCOCCC=O 0baf7b445d32c592c84a854d0b977403 [0,2,0,0,0,0|0,0,1]=3 5012 B9R0.45 CCC/C=C/COCC=O 4b38aa72153068d33113c423eeaba184 [0,2,0,0,0,0|0,0,1]=3 5013 B9R0.45 CCC/C=C\COCC=O bf01e182e8daf457f7933faee15ce932 [0,2,0,0,0,0|0,0,1]=3 5014 B9R0.45 CCCC#CCOCC=O a97331af7fccddc94ac63e85e9270e0b [0,2,0,0,0,0|0,0,1]=3 5015 B9R0.45 CCCCCCCNC#N 248b00270638672a211be30b41165ea4 [0,2,0,0,0,0|1,0,1]=4 5016 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [0,2,0,0,0,0|0,0,0]=2 5017 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [0,2,0,0,0,0|1,0,1]=4 5018 B9R0.45 CCCCCCCNCF 39b29e109b290c792595feab642af08e [0,2,0,0,0,0|1,0,1]=4 5019 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [0,2,0,0,0,0|0,0,2]=4 5020 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [0,2,0,0,0,0|0,0,2]=4 5021 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [0,2,0,0,0,0|0,0,2]=4 5022 B9R0.45 CCCCCCNCC#N f1982764285efd94f6d8f1be2d766cd1 [0,2,0,0,0,0|1,0,1]=4 5023 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [0,2,0,0,0,0|0,0,0]=2 5024 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [0,2,0,0,0,0|1,0,1]=4 5025 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [0,2,0,0,0,0|1,0,1]=4 5026 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [0,2,0,0,0,0|1,0,1]=4 5027 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [0,2,0,0,0,0|1,0,1]=4 5028 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [0,2,0,0,0,0|0,0,2]=4 5029 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [0,2,0,0,0,0|0,1,1]=4 5030 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [0,2,0,0,0,0|0,0,2]=4 5031 B9R0.45 CCCCCCNCSC 26b8d5c53ba2ffb7a0ad7aeefcef29cb [0,2,0,0,0,0|0,1,1]=4 5032 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [0,2,0,0,0,0|1,0,1]=4 5033 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [0,2,0,0,0,0|0,0,0]=2 5034 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [0,2,0,0,0,0|1,0,1]=4 5035 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [0,2,0,0,0,0|1,0,1]=4 5036 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [0,2,0,0,0,0|0,1,1]=4 5037 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [0,2,0,0,0,0|0,0,2]=4 5038 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [0,2,0,0,0,0|0,1,1]=4 5039 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [0,2,0,0,0,0|1,0,0]=3 5040 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [0,2,0,0,0,0|1,0,0]=3 5041 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [0,2,0,0,0,0|0,0,1]=3 5042 B9R0.45 CCCCCNCCC#N cebb46d01d125ec08ad6d11a0ca21676 [0,2,0,0,0,0|1,0,1]=4 5043 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [0,2,0,0,0,0|0,0,0]=2 5044 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [0,2,0,0,0,0|1,0,1]=4 5045 B9R0.45 CCCCCNCCCCl 109aece1b500375b78357a337e9896e4 [0,2,0,0,0,0|1,0,1]=4 5046 B9R0.45 CCCCCNCCCF 5ad689e26c296fbe8637b1c72c8b1ac8 [0,2,0,0,0,0|1,0,1]=4 5047 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [0,2,0,0,0,0|0,0,2]=4 5048 B9R0.45 CCCCCNCCCS 7d387ec49be60b8d3336c43db9a47159 [0,2,0,0,0,0|0,1,1]=4 5049 B9R0.45 CCCCCNCCOC 0d0c9f836b1b0f565b919320cde5807e [0,2,0,0,0,0|0,0,2]=4 5050 B9R0.45 CCCCCNCCON 3f6e33ed7c17c07fd46f073b64cb680f [0,2,0,0,0,0|0,0,2]=4 5051 B9R0.45 CCCCCNCCSC 738dc92cc1ee7c68b53e333bc3c1249e [0,2,0,0,0,0|0,1,1]=4 5052 B9R0.45 CCCCCNCOCC 106dd0a5d7506881af71fe2f076cb844 [0,2,0,0,0,0|1,0,1]=4 5053 B9R0.45 CCCCCNCSC#N d93af98c6cbd67f410e4259401143133 [0,2,0,0,0,0|1,0,1]=4 5054 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [0,2,0,0,0,0|1,0,0]=3 5055 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [0,2,0,0,0,0|1,0,0]=3 5056 B9R0.45 CCCCCOCC#CI 98f1a37650bbb5a5f719ea9888fd4110 [0,2,0,0,0,0|1,0,1]=4 5057 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [0,2,0,0,0,0|1,0,0]=3 5058 B9R0.45 CCCCCOCCC#N b56a90d4adc45e9e40fb67d86d26f6c5 [0,2,0,0,0,0|1,0,1]=4 5059 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [0,2,0,0,0,0|0,0,0]=2 5060 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [0,2,0,0,0,0|1,0,1]=4 5061 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [0,2,0,0,0,0|1,0,1]=4 5062 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [0,2,0,0,0,0|0,1,1]=4 5063 B9R0.45 CCCCCOCCOC 64d0f3f4ad4f7f2b3f2cc5427c5eba08 [0,2,0,0,0,0|0,0,2]=4 5064 B9R0.45 CCCCCOCCSC 35787b22863a0bdd2a717cb23597facb [0,2,0,0,0,0|0,1,1]=4 5065 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [0,2,0,0,0,0|1,0,1]=4 5066 B9R0.45 CCCCCOCSC#N a0331f1c29aef1ee9c4e9f9e70981813 [0,2,0,0,0,0|1,0,1]=4 5067 B9R0.45 CCCCNCC=CC#N 723ac8943786171d4ae8e3b83c18cdb9 [0,2,0,0,0,0|1,0,1]=4 5068 B9R0.45 CCCCNCCCC#N 68e4f040892091fa5c455116d9aa7e49 [0,2,0,0,0,0|1,0,1]=4 5069 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [0,2,0,0,0,0|0,0,0]=2 5070 B9R0.45 CCCCNCCCCCl 8e0e9ebf8dfb1495f624013ef828e19e [0,2,0,0,0,0|1,0,1]=4 5071 B9R0.45 CCCCNCCCCF 953d043841cd25eff2ef5c3d0831f1dd [0,2,0,0,0,0|1,0,1]=4 5072 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [0,2,0,0,0,0|0,0,2]=4 5073 B9R0.45 CCCCNCCCCS 293a84436b4673ea4650c3832cb6a843 [0,2,0,0,0,0|0,1,1]=4 5074 B9R0.45 CCCCNCCCOC 788f960a3da4a154a6d1eb4fd6357034 [0,2,0,0,0,0|0,0,2]=4 5075 B9R0.45 CCCCNCCCSC 1307aea73f697be7347c70961c337c72 [0,2,0,0,0,0|0,1,1]=4 5076 B9R0.45 CCCCNCCOCC 39271ffac0a4948f82700c61c9eec153 [0,2,0,0,0,0|1,0,1]=4 5077 B9R0.45 CCCCNCCSCC b1ef8d1aa777f7abf26f9f2c6eb99f55 [0,2,0,0,0,0|1,0,1]=4 5078 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [0,2,0,0,0,0|0,0,1]=3 5079 B9R0.45 CCCCOCC=CC#N 604c3e00400d7381d624e197c000cd4a [0,2,0,0,0,0|1,0,1]=4 5080 B9R0.45 CCCCOCCCC#N 3485bfd63f5f243eafd22661b7976f88 [0,2,0,0,0,0|1,0,1]=4 5081 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [0,2,0,0,0,0|0,0,0]=2 5082 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [0,2,0,0,0,0|1,0,1]=4 5083 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [0,2,0,0,0,0|0,1,1]=4 5084 B9R0.45 CCCCOCCCOC 94ce11a6d684ef526eb2e193b6598c58 [0,2,0,0,0,0|0,0,2]=4 5085 B9R0.45 CCCCOCCCSC 62b74f8edfba0d3c5255c58121a65cb5 [0,2,0,0,0,0|0,1,1]=4 5086 B9R0.45 CCCCOCCNC#N bf81be7ca7ca93c6a03b738fb755613c [0,2,0,0,0,0|1,0,1]=4 5087 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [0,2,0,0,0,0|0,0,0]=2 5088 B9R0.45 CCCCOCCNCC c0f6eb404167932e0e88f86a69bff347 [0,2,0,0,0,0|1,0,1]=4 5089 B9R0.45 CCCCOCCNCF 8b135b0f5074a5377d2a7e28c8efcd84 [0,2,0,0,0,0|1,0,1]=4 5090 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [0,2,0,0,0,0|0,0,2]=4 5091 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [0,2,0,0,0,0|0,0,0]=2 5092 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [0,2,0,0,0,0|1,0,1]=4 5093 B9R0.45 CCCCOCCOCF 07adb0bf6498af630a31d7ca7d57b829 [0,2,0,0,0,0|1,0,1]=4 5094 B9R0.45 CCCCOCCSCC 4b27bedc971633e9128e01c7169daa62 [0,2,0,0,0,0|1,0,1]=4 5095 B9R0.45 CCCCOCNCC#N 7b0d28e2eb54952158d505b5f8770d73 [0,2,0,0,0,0|1,0,1]=4 5096 B9R0.45 CCCCOCNCCBr 8af49a902b107aa7c699883a58b69d70 [0,2,0,0,0,0|1,0,1]=4 5097 B9R0.45 CCCCOCNCCC a731432b21a93145f59a9eee5ade548a [0,2,0,0,0,0|1,0,1]=4 5098 B9R0.45 CCCCOCNCCF 2f03f8995a9a7c86acf72933bf9d05e6 [0,2,0,0,0,0|1,0,1]=4 5099 B9R0.45 CCCCOCNCCI 1814069953d92dfb68f63dfb93029b9b [0,2,0,0,0,0|1,0,1]=4 5100 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [0,2,0,0,0,0|0,0,2]=4 5101 B9R0.45 CCCCOCNCCS 024b51c7b9a7aa53e1b6dec1ea932e98 [0,2,0,0,0,0|0,1,1]=4 5102 B9R0.45 CCCCOCOCC#N e08713610e3991362fbe05c0a2f4b076 [0,2,0,0,0,0|1,0,1]=4 5103 B9R0.45 CCCCOCOCCC bf8c796cfd1bba6ec2766c9548b22b8d [0,2,0,0,0,0|1,0,1]=4 5104 B9R0.45 CCCCOCOCCF 36b5a84efa8f0d923bd230c7ea60f543 [0,2,0,0,0,0|1,0,1]=4 5105 B9R0.45 CCCCOCOCCS b89141989678ee8d6f2313dbbd0de5e4 [0,2,0,0,0,0|0,1,1]=4 5106 B9R0.45 CCCCOCOCOC 562738b96117a23492409bdce5892cd9 [0,2,0,0,0,0|2,0,0]=4 5107 B9R0.45 CCCCSCCOCC 696d57545195b0a32e7d1cb44c602929 [0,2,0,0,0,0|1,0,1]=4 5108 B9R0.45 CCCCSCCOCF 2ebbef8cba35a7b011868c08f9cbced9 [0,2,0,0,0,0|1,0,1]=4 5109 B9R0.45 CCCNCCCCC#N e58f5053a708c2b2922849441f0ef1c2 [0,2,0,0,0,0|1,0,1]=4 5110 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [0,2,0,0,0,0|0,0,0]=2 5111 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [0,2,0,0,0,0|1,0,1]=4 5112 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [0,2,0,0,0,0|1,0,1]=4 5113 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [0,2,0,0,0,0|0,0,2]=4 5114 B9R0.45 CCCNCCCCOC 3a911d7832cca15ffba1db8d75c3525f [0,2,0,0,0,0|0,0,2]=4 5115 B9R0.45 CCCNCCCCON 9849545adc0af6ce550f1dc9bd374ca6 [0,2,0,0,0,0|0,0,2]=4 5116 B9R0.45 CCCNCCCCSC 83af594d195aec376428f00fc6e6852d [0,2,0,0,0,0|0,1,1]=4 5117 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [0,2,0,0,0,0|1,0,1]=4 5118 B9R0.45 CCCNCCCSCC da25d421765166ddce276c23e4b27d3a [0,2,0,0,0,0|1,0,1]=4 5119 B9R0.45 CCCNCCOCC#N 8fd3df2eb00744df8c68e423e582fd3c [0,2,0,0,0,0|1,0,1]=4 5120 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [0,2,0,0,0,0|0,0,0]=2 5121 B9R0.45 CCCNCCOCCC c9636642ffae561b1adc5cd9ae1dccad [0,2,0,0,0,0|1,0,1]=4 5122 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [0,2,0,0,0,0|0,0,2]=4 5123 B9R0.45 CCCNCCOCCS 22947c1b954d0143303aa38649974027 [0,2,0,0,0,0|0,1,1]=4 5124 B9R0.45 CCCNCCOCOC bd87fbe1594af723cfb8d704107437f4 [0,2,0,0,0,0|2,0,0]=4 5125 B9R0.45 CCCNCCSCCO 1f86c5fc79a4d95fd86404e323963902 [0,2,0,0,0,0|0,0,2]=4 5126 B9R0.45 CCCNCOCCOC 1ff4fcd517daf00624ce18ae1c71f022 [0,2,0,0,0,0|2,0,0]=4 5127 B9R0.45 CCCOCCCCC#N 609dbdde15359686ba1703d0b40c485a [0,2,0,0,0,0|1,0,1]=4 5128 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [0,2,0,0,0,0|0,0,0]=2 5129 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [0,2,0,0,0,0|1,0,1]=4 5130 B9R0.45 CCCOCCCCOC 3aa974714759e935d3dbeb5a361d1541 [0,2,0,0,0,0|0,0,2]=4 5131 B9R0.45 CCCOCCCCSC 28df677e6e1829a07cbf3784e5a5b453 [0,2,0,0,0,0|0,1,1]=4 5132 B9R0.45 CCCOCCCNC#N b72420330cbe41e720111600c2eb14c4 [0,2,0,0,0,0|1,0,1]=4 5133 B9R0.45 CCCOCCCNC=O 3f83c74e540093398b86151d188b589d [0,2,0,0,0,0|0,0,0]=2 5134 B9R0.45 CCCOCCCNCC 9c5f9e1a8eab534703971dfcd50dc3a4 [0,2,0,0,0,0|1,0,1]=4 5135 B9R0.45 CCCOCCCNCF 1fa8ea4c53f6c4f7a20f066d63c8c48a [0,2,0,0,0,0|1,0,1]=4 5136 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [0,2,0,0,0,0|0,0,2]=4 5137 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [0,2,0,0,0,0|1,0,1]=4 5138 B9R0.45 CCCOCCCSCC a587632712094e0a386067bb302c3743 [0,2,0,0,0,0|1,0,1]=4 5139 B9R0.45 CCCOCCNCC#N 22fa923b990bda1e86739446708a76af [0,2,0,0,0,0|1,0,1]=4 5140 B9R0.45 CCCOCCNCC=O cdec424df104fd1655eaaf340942285e [0,2,0,0,0,0|0,0,0]=2 5141 B9R0.45 CCCOCCNCCBr 9f86e90a071edec2de61cdfd8199e5e2 [0,2,0,0,0,0|1,0,1]=4 5142 B9R0.45 CCCOCCNCCF 1fb0f4589ef80568471bce7090c2014c [0,2,0,0,0,0|1,0,1]=4 5143 B9R0.45 CCCOCCNCCI 8da2f45844ac2d978f81e207bd134493 [0,2,0,0,0,0|1,0,1]=4 5144 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [0,2,0,0,0,0|0,0,2]=4 5145 B9R0.45 CCCOCCNCCS 92de6dd4d0d6e015f57d04ac9b343cce [0,2,0,0,0,0|0,1,1]=4 5146 B9R0.45 CCCOCCNCOC 8cb8215fa14e9a27a7b43ec8cd96ceda [0,2,0,0,0,0|2,0,0]=4 5147 B9R0.45 CCCOCCNCSC 6bd7872fd3e7ce7d9d4aa75a52835035 [0,2,0,0,0,0|2,0,0]=4 5148 B9R0.45 CCCOCCOCC#N 0b5e5b94d2fb7725a847c4319474ca47 [0,2,0,0,0,0|1,0,1]=4 5149 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [0,2,0,0,0,0|0,0,0]=2 5150 B9R0.45 CCCOCCOCCC 96ef823798ad295a7793168e0a9a50d1 [0,2,0,0,0,0|1,0,1]=4 5151 B9R0.45 CCCOCCOCCF 8a699727db0990fdbea753b75227c0f9 [0,2,0,0,0,0|1,0,1]=4 5152 B9R0.45 CCCOCCOCCS 135d5deeb48c2dba9fda7000503f9b47 [0,2,0,0,0,0|0,1,1]=4 5153 B9R0.45 CCCOCCOCOC d883cdf177c224a93accb6f6a22cfd33 [0,2,0,0,0,0|2,0,0]=4 5154 B9R0.45 CCCOCCOCSC 6797f3697f583a66f6057547c0c4920a [0,2,0,0,0,0|2,0,0]=4 5155 B9R0.45 CCCOCCSCCC ef95f0015148e44bf9c71ec82f7f1f36 [0,2,0,0,0,0|1,0,1]=4 5156 B9R0.45 CCCOCOCCOC f5c30870d8f3cceba2555c383ac9ca27 [0,2,0,0,0,0|2,0,0]=4 5157 B9R0.45 CCCSCCOCC#N 423f161ed3b705253e360ed3c7401551 [0,2,0,0,0,0|1,0,1]=4 5158 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [0,2,0,0,0,0|0,0,0]=2 5159 B9R0.45 CCCSCCOCCF db000028d4bac3c185ca2424cafce511 [0,2,0,0,0,0|1,0,1]=4 5160 B9R0.45 CCCSCCOCCS 839eda13d2fd3df796a512bffa6ac820 [0,2,0,0,0,0|0,1,1]=4 5161 B9R0.45 CCCSCCOCOC a9485f0728bb45c5a3674595a8b65d75 [0,2,0,0,0,0|2,0,0]=4 5162 B9R0.45 CCCSCCOCSC 9c50d16cbbe0474e2767510f403e1fbb [0,2,0,0,0,0|2,0,0]=4 5163 B9R0.45 CCNCCCCCC#N 4fc10c41a4ee7406a902ba3cc176c872 [0,2,0,0,0,0|1,0,1]=4 5164 B9R0.45 CCNCCCCCCCl 59b5285c49bc16b0b152df55e767300a [0,2,0,0,0,0|1,0,1]=4 5165 B9R0.45 CCNCCCCCCO 59b1923e7d0b8671db87a813cf6b4ab5 [0,2,0,0,0,0|0,0,2]=4 5166 B9R0.45 CCNCCCCCOC fc15d1f5a98279f7f6e7e0686f586bf9 [0,2,0,0,0,0|0,0,2]=4 5167 B9R0.45 CCNCCCCSCC f8cf53852eae5c1d0e62790a5b5787e1 [0,2,0,0,0,0|1,0,1]=4 5168 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [0,2,0,0,0,0|0,0,2]=4 5169 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [0,2,0,0,0,0|0,0,2]=4 5170 B9R0.45 CCNCCOCCOC 970ed445813bc968f3810e0a25a03d0b [0,2,0,0,0,0|2,0,0]=4 5171 B9R0.45 CCNCCOCCON d037f668e2ed6f960fc2cbfb57c1b1eb [0,2,0,0,0,0|2,0,0]=4 5172 B9R0.45 CCOCCCCCC#N 9f2d6d43772316271944d8067a0ddcf5 [0,2,0,0,0,0|1,0,1]=4 5173 B9R0.45 CCOCCCCCCF 1581be03b145221792da0e70f0dc7ced [0,2,0,0,0,0|1,0,1]=4 5174 B9R0.45 CCOCCCCCCS 890481a3122baa8d804b207afa67ebc3 [0,2,0,0,0,0|0,1,1]=4 5175 B9R0.45 CCOCCCNCC#N 1bd6cd1bd9855d72a9726b5951042d08 [0,2,0,0,0,0|1,0,1]=4 5176 B9R0.45 CCOCCCNCC=O 1df50ec465f64bbc25635b22e5db7849 [0,2,0,0,0,0|0,0,0]=2 5177 B9R0.45 CCOCCCNCCBr 120fb1bbcef061796cfd615458a1c09b [0,2,0,0,0,0|1,0,1]=4 5178 B9R0.45 CCOCCCNCCF c8ab431a7f192975976a75b85f386784 [0,2,0,0,0,0|1,0,1]=4 5179 B9R0.45 CCOCCCNCCI 186450b645dbfa368730a83689c53490 [0,2,0,0,0,0|1,0,1]=4 5180 B9R0.45 CCOCCCNCCO 2b9ad8b94ae5a803722e62535f4291fd [0,2,0,0,0,0|0,0,2]=4 5181 B9R0.45 CCOCCCNCCS 8829b7afa69dd6274180d17a64733251 [0,2,0,0,0,0|0,1,1]=4 5182 B9R0.45 CCOCCCNCOC 243308dd7027c1d01ea9bef7d5d8999c [0,2,0,0,0,0|2,0,0]=4 5183 B9R0.45 CCOCCCNCSC 126e855ddfd6af8b2015b4bcfbadb9a3 [0,2,0,0,0,0|2,0,0]=4 5184 B9R0.45 CCOCCCOCC#N f3983c7c4c7b801ade012d03b9dbda0a [0,2,0,0,0,0|1,0,1]=4 5185 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [0,2,0,0,0,0|0,0,0]=2 5186 B9R0.45 CCOCCCOCCF 714535e9c21efd3dc0f9881edb097992 [0,2,0,0,0,0|1,0,1]=4 5187 B9R0.45 CCOCCCOCCS 3a94e0b4ae2eb58123f7cf02194f57c1 [0,2,0,0,0,0|0,1,1]=4 5188 B9R0.45 CCOCCCOCOC 49ca5418b13db09e21d4436e86edc1d1 [0,2,0,0,0,0|2,0,0]=4 5189 B9R0.45 CCOCCCOCSC 5933fe00c4fae79c8d73e60929d6345a [0,2,0,0,0,0|2,0,0]=4 5190 B9R0.45 CCOCCNC/C=C/Cl 7b0bbb036a80fdcc6ed3bc6031296aec [0,2,0,0,0,0|1,0,1]=4 5191 B9R0.45 CCOCCNC/C=C\Cl d4a562e1ee77b8ce935dce8c46a905df [0,2,0,0,0,0|1,0,1]=4 5192 B9R0.45 CCOCCNC/C=C\O 0aa78a5fbd95032696d68861b712e14e [0,2,0,0,0,0|0,0,2]=4 5193 B9R0.45 CCOCCNCCC#N 3c49a91609de62b6d2af4384f0aaccfc [0,2,0,0,0,0|1,0,1]=4 5194 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [0,2,0,0,0,0|0,0,0]=2 5195 B9R0.45 CCOCCNCCCCl 726d5a6adc61ac4487134bb97ac4e534 [0,2,0,0,0,0|1,0,1]=4 5196 B9R0.45 CCOCCNCCCF a9abbaefc89944ba30d9f007b28e95eb [0,2,0,0,0,0|1,0,1]=4 5197 B9R0.45 CCOCCNCCCO f920b2cdd5960150c1761b62d58446b4 [0,2,0,0,0,0|0,0,2]=4 5198 B9R0.45 CCOCCNCCCS 54e54a642f3b0919395721cfe7d34325 [0,2,0,0,0,0|0,1,1]=4 5199 B9R0.45 CCOCCNCCOC 75c2abf510459240d25a125a6ea3ce5b [0,2,0,0,0,0|2,0,0]=4 5200 B9R0.45 CCOCCNCCON 62df95e9f6e4021a86c83d73768be514 [0,2,0,0,0,0|2,0,0]=4 5201 B9R0.45 CCOCCNCCSC aba0090a72e2c2a08c16d1f995164dc4 [0,2,0,0,0,0|2,0,0]=4 5202 B9R0.45 CCOCCOC/C=C/Cl d21ca85748d49e963ec009221e6c538f [0,2,0,0,0,0|1,0,1]=4 5203 B9R0.45 CCOCCOC/C=C\Cl 4e3f5a0ae37241c674019778d089ce1a [0,2,0,0,0,0|1,0,1]=4 5204 B9R0.45 CCOCCOCC=CCl 41d7c42e7579fc369e224c376b5ea081 [0,2,0,0,0,0|1,0,1]=4 5205 B9R0.45 CCOCCOCCC#N 06a1e3828a166d2e7992ec288ca8b689 [0,2,0,0,0,0|1,0,1]=4 5206 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [0,2,0,0,0,0|0,0,0]=2 5207 B9R0.45 CCOCCOCCCF 6c21ca5dfb17a6c912498290c2d5e401 [0,2,0,0,0,0|1,0,1]=4 5208 B9R0.45 CCOCCOCCCS 5b45dac295981c60698d04d6ce0eb913 [0,2,0,0,0,0|0,1,1]=4 5209 B9R0.45 CCOCCOCCOC 47de0acc7a7446e675a0f9ec56feeb8a [0,2,0,0,0,0|2,0,0]=4 5210 B9R0.45 CCOCCOCCSC 507e29f582b578a744efa276a08afe49 [0,2,0,0,0,0|2,0,0]=4 5211 B9R0.45 CCOCNCCCC#N 44462fcafd255a6b05d7e7ce0819ff24 [0,2,0,0,0,0|1,0,1]=4 5212 B9R0.45 CCOCNCCCCCl 4584bfc607e6e62469bebb96fe236504 [0,2,0,0,0,0|1,0,1]=4 5213 B9R0.45 CCOCNCCCCO 8a098d07046f425046fb40aa034ce721 [0,2,0,0,0,0|0,0,2]=4 5214 B9R0.45 CCOCNCCCCS 8239e5b01a8402ac60489c45056df255 [0,2,0,0,0,0|0,1,1]=4 5215 B9R0.45 CCOCNCCCOC 2d6757fddb21233ca70829ffaa9b46d4 [0,2,0,0,0,0|2,0,0]=4 5216 B9R0.45 CCOCNCCCSC e0a66c2e55e14dad277d7193b451e432 [0,2,0,0,0,0|2,0,0]=4 5217 B9R0.45 CCOCOC/C=C/C=O 7670264f072827a60bb468ebf074bc0c [0,2,0,0,0,0|0,0,2]=4 5218 B9R0.45 CCOCOCCCC#N 28769ece51c69011a0eb1109d82ba377 [0,2,0,0,0,0|1,0,1]=4 5219 B9R0.45 CCOCOCCCC=O 8ebce82bd916a55c6d87bc905a09f51f [0,2,0,0,0,0|0,0,0]=2 5220 B9R0.45 CCOCOCCCCF 0eb4a4f31028b7065d9297c42cd577e6 [0,2,0,0,0,0|1,0,1]=4 5221 B9R0.45 CCOCOCCCCS fdf282ee46f26d46746bb3586f789932 [0,2,0,0,0,0|0,1,1]=4 5222 B9R0.45 CCOCOCCCOC 24c9ae5c69bc9210f5986ab438ee08a2 [0,2,0,0,0,0|2,0,0]=4 5223 B9R0.45 CCOCOCCCSC cdc0b01600dd841ed7ed121efe03e346 [0,2,0,0,0,0|2,0,0]=4 5224 B9R0.45 CCOCOCCNC=O 1f04069abdc79a13f2b31dcce221deef [0,2,0,0,0,0|1,0,0]=3 5225 B9R0.45 CCOCOCCOC=O 3f9d016c5825b4d3c13708d373f1904b [0,2,0,0,0,0|1,0,0]=3 5226 B9R0.45 CCSCCCCNC=O e3da595d950c9d5eba0c543529449821 [0,2,0,0,0,0|0,0,0]=2 5227 B9R0.45 CCSCCCCNCF d0ffe0fef83ebc9d8946061c82c152d3 [0,2,0,0,0,0|1,0,1]=4 5228 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [0,2,0,0,0,0|0,0,2]=4 5229 B9R0.45 CCSCCCNCC#N f10354ba4ee528fdc45ff8edbb1d5b8d [0,2,0,0,0,0|1,0,1]=4 5230 B9R0.45 CCSCCCNCCBr b1c1b2cf9daedf772763ed40c3d8bcab [0,2,0,0,0,0|1,0,1]=4 5231 B9R0.45 CCSCCCNCCF f4597b45c8bf53bfcefd8c1aa4b7549c [0,2,0,0,0,0|1,0,1]=4 5232 B9R0.45 CCSCCCNCCI 80ef31e79aa01c131e6cf7c675a312af [0,2,0,0,0,0|1,0,1]=4 5233 B9R0.45 CCSCCCNCCO b73a81c9666f167eb7df0d9e4e845db9 [0,2,0,0,0,0|0,0,2]=4 5234 B9R0.45 CCSCCCNCCS 4c3310ae90eefdb6c1eeb1f81dc881e4 [0,2,0,0,0,0|0,1,1]=4 5235 B9R0.45 CCSCCCOCC#N bd72d7d3675d36aec96e7268b014e905 [0,2,0,0,0,0|1,0,1]=4 5236 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [0,2,0,0,0,0|0,0,0]=2 5237 B9R0.45 CCSCCCOCCF ea17b98cdecfe1376818aaae8fa7edc5 [0,2,0,0,0,0|1,0,1]=4 5238 B9R0.45 CCSCCCOCCS a30e9d31c5017336afd5e6cff0a5615d [0,2,0,0,0,0|0,1,1]=4 5239 B9R0.45 CCSCCCOCOC 5cadd01a1a128aae76cfa321e1740b2e [0,2,0,0,0,0|2,0,0]=4 5240 B9R0.45 CCSCCCOCSC c724d727513d8badfd80e3cc53a1bf48 [0,2,0,0,0,0|2,0,0]=4 5241 B9R0.45 CCSCCNC/C=C/Cl 48992bfb39354ee04023f731ba3deb6c [0,2,0,0,0,0|1,0,1]=4 5242 B9R0.45 CCSCCNC/C=C\Cl 4bb5782123679a75cb69e1591b7caf68 [0,2,0,0,0,0|1,0,1]=4 5243 B9R0.45 CCSCCNC/C=C\O 25741737a09ab9cf25d1e1da49f5fc71 [0,2,0,0,0,0|0,0,2]=4 5244 B9R0.45 CCSCCNCCC#N 044cde7ee9f7eb0d0b98cd2b513cfe85 [0,2,0,0,0,0|1,0,1]=4 5245 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [0,2,0,0,0,0|0,0,0]=2 5246 B9R0.45 CCSCCNCCCCl 2d860ade44d9cc46751c241450bb61dc [0,2,0,0,0,0|1,0,1]=4 5247 B9R0.45 CCSCCNCCCF 038adb5a6b34bfccdb30b0743d1fc5dd [0,2,0,0,0,0|1,0,1]=4 5248 B9R0.45 CCSCCNCCCO d094498045f2b61ea374614f3a36e63e [0,2,0,0,0,0|0,0,2]=4 5249 B9R0.45 CCSCCNCCCS 9e9e68ace044ac8ef08f3a52efa39027 [0,2,0,0,0,0|0,1,1]=4 5250 B9R0.45 CCSCCNCCOC 86cd4ec12f4d8a6c1f9298f7f7dcd921 [0,2,0,0,0,0|2,0,0]=4 5251 B9R0.45 CCSCCNCCON 657d5675eb1b439269df280727c35c2b [0,2,0,0,0,0|2,0,0]=4 5252 B9R0.45 CCSCCNCCSC eabdf826a471ef5724857c4f4906685a [0,2,0,0,0,0|2,0,0]=4 5253 B9R0.45 CCSCCOC/C=C/Cl 6cfc629a0a39bc85947360638f1f00ea [0,2,0,0,0,0|1,0,1]=4 5254 B9R0.45 CCSCCOC/C=C\Cl a1b2160a30b04ec1c30eb2293d1edd43 [0,2,0,0,0,0|1,0,1]=4 5255 B9R0.45 CCSCCOCC=CCl faebf2045f6536596b25d52101ab8d90 [0,2,0,0,0,0|1,0,1]=4 5256 B9R0.45 CCSCCOCCC#N eba4adf70853f3320b1e57bf39ef5474 [0,2,0,0,0,0|1,0,1]=4 5257 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [0,2,0,0,0,0|0,0,0]=2 5258 B9R0.45 CCSCCOCCCF 609cc5385915dd1e7a7c149cae7bfc22 [0,2,0,0,0,0|1,0,1]=4 5259 B9R0.45 CCSCCOCCCS f00c1e7677c53c3d661b7a5f0701f1fc [0,2,0,0,0,0|0,1,1]=4 5260 B9R0.45 CCSCCOCCOC 2b34995cce28f50875bf8f33b2ea66ef [0,2,0,0,0,0|2,0,0]=4 5261 B9R0.45 CCSCCOCCSC dff42bcd24538ed6968a0ea75d545350 [0,2,0,0,0,0|2,0,0]=4 5262 B9R0.45 COCCCCCNC#N 15d2cc56091549142c1cafb8469e39a5 [0,2,0,0,0,0|1,0,1]=4 5263 B9R0.45 COCCCCCNC=O e93060d28d3ca03cb27bbc266d47205c [0,2,0,0,0,0|0,0,0]=2 5264 B9R0.45 COCCCCCNCF 408761897685b9e7e9043c28034b8202 [0,2,0,0,0,0|1,0,1]=4 5265 B9R0.45 COCCCCCNCO bcbefdff7df1910d96b91030fdd66d71 [0,2,0,0,0,0|0,0,2]=4 5266 B9R0.45 COCCCCNCC#N bd0c5cb1a149658b504334eada5196f5 [0,2,0,0,0,0|1,0,1]=4 5267 B9R0.45 COCCCCNCC=O bc0f621bc614bad8c542e04b6f8c00d4 [0,2,0,0,0,0|0,0,0]=2 5268 B9R0.45 COCCCCNCCBr 97767679fa62d1a1b91d15f80eddb1d6 [0,2,0,0,0,0|1,0,1]=4 5269 B9R0.45 COCCCCNCCF ba2ac83f2fcd35fabef5cdb647f80efd [0,2,0,0,0,0|1,0,1]=4 5270 B9R0.45 COCCCCNCCI 778c59a999b7783df4b42505b3a435d0 [0,2,0,0,0,0|1,0,1]=4 5271 B9R0.45 COCCCCNCCO c64f84dda1c7e1a3b83c8677baf02563 [0,2,0,0,0,0|0,0,2]=4 5272 B9R0.45 COCCCCNCCS ddae4248a4aad5b190586bd8b6b12b9d [0,2,0,0,0,0|0,1,1]=4 5273 B9R0.45 COCCCCNCOC 67b615b8140985a10b44d49626d657d8 [0,2,0,0,0,0|2,0,0]=4 5274 B9R0.45 COCCCCNCSC 5c83e7734059a90ac65b14037a0640f2 [0,2,0,0,0,0|2,0,0]=4 5275 B9R0.45 COCCCCOCC#N 60e7cf89581151a6b1d70e478be465d5 [0,2,0,0,0,0|1,0,1]=4 5276 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [0,2,0,0,0,0|0,0,0]=2 5277 B9R0.45 COCCCCOCCF 8d811c473848c1b9e465e0faa6d2b7f8 [0,2,0,0,0,0|1,0,1]=4 5278 B9R0.45 COCCCCOCCS 9c136081df91fabb4e2b6ddd13f67835 [0,2,0,0,0,0|0,1,1]=4 5279 B9R0.45 COCCCCOCOC 079bab4bc7a5d63b09a4a47180aaff22 [0,2,0,0,0,0|2,0,0]=4 5280 B9R0.45 COCCCCOCSC b96665b11f1788b8d409908b6cf086a3 [0,2,0,0,0,0|2,0,0]=4 5281 B9R0.45 COCCCNC/C=C/Cl 8d18551060dd1bcf126073e3fc2a9c57 [0,2,0,0,0,0|1,0,1]=4 5282 B9R0.45 COCCCNC/C=C\Cl 8e52628755159a6ec62c6b51eb0f9000 [0,2,0,0,0,0|1,0,1]=4 5283 B9R0.45 COCCCNC/C=C\O 7a8902930f1f9f59b8140ba9fba85efe [0,2,0,0,0,0|0,0,2]=4 5284 B9R0.45 COCCCNCCC#N ae4e52692a8df616c649f9dae0151bcb [0,2,0,0,0,0|1,0,1]=4 5285 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [0,2,0,0,0,0|0,0,0]=2 5286 B9R0.45 COCCCNCCCCl 9705b394217ae148696e911425352b68 [0,2,0,0,0,0|1,0,1]=4 5287 B9R0.45 COCCCNCCCF 8df049e100a0386cf0d931a2444deb4c [0,2,0,0,0,0|1,0,1]=4 5288 B9R0.45 COCCCNCCCO 80827af578dfd9221e88944d50b47203 [0,2,0,0,0,0|0,0,2]=4 5289 B9R0.45 COCCCNCCCS 240c33c55966b2ccef0c7ff92e4b95f8 [0,2,0,0,0,0|0,1,1]=4 5290 B9R0.45 COCCCNCCOC 6bf3edf2364e9dd1912a1db5e7adaa8b [0,2,0,0,0,0|2,0,0]=4 5291 B9R0.45 COCCCNCCON 1c2356a0d0b9a59cffe01a1906b74b48 [0,2,0,0,0,0|2,0,0]=4 5292 B9R0.45 COCCCNCCSC 6bbd1571862ae642047d09ba11e4e807 [0,2,0,0,0,0|2,0,0]=4 5293 B9R0.45 COCCCOC/C=C/Cl a8739e4e0c80c90fd23ea74e6e304e49 [0,2,0,0,0,0|1,0,1]=4 5294 B9R0.45 COCCCOC/C=C\Cl ac9aa020622232eaf51e601118f65e0a [0,2,0,0,0,0|1,0,1]=4 5295 B9R0.45 COCCCOCC=CCl d6219d0127e3cc631360d92b7573b59b [0,2,0,0,0,0|1,0,1]=4 5296 B9R0.45 COCCCOCCC#N 21b1d0c227b9786a4210f1cd5d0bedf2 [0,2,0,0,0,0|1,0,1]=4 5297 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [0,2,0,0,0,0|0,0,0]=2 5298 B9R0.45 COCCCOCCCF be4a7b6bffc7bdbc6be013e25622971e [0,2,0,0,0,0|1,0,1]=4 5299 B9R0.45 COCCCOCCCS d2c23fd40bfcae6efbc6c9cb789a4072 [0,2,0,0,0,0|0,1,1]=4 5300 B9R0.45 COCCCOCCOC 8d4448045401a91e89d55c0e8329b120 [0,2,0,0,0,0|2,0,0]=4 5301 B9R0.45 COCCCOCCSC 548dd75bb9b1b4662b5fbabbfd265b58 [0,2,0,0,0,0|2,0,0]=4 5302 B9R0.45 COCCNCCCC#N ca01e18ae3e3c9f523dc2de947246c9a [0,2,0,0,0,0|1,0,1]=4 5303 B9R0.45 COCCNCCCC=O 8de8c440c27ce646b454682cc54ec04c [0,2,0,0,0,0|0,0,0]=2 5304 B9R0.45 COCCNCCCCCl 44415ce691540b922e870f391fa4cb8e [0,2,0,0,0,0|1,0,1]=4 5305 B9R0.45 COCCNCCCCF 1683834809cf87907ebfbdf3425bf892 [0,2,0,0,0,0|1,0,1]=4 5306 B9R0.45 COCCNCCCCO 98a0ba2b4e7cfdb77ca7eb5bd158bcce [0,2,0,0,0,0|0,0,2]=4 5307 B9R0.45 COCCNCCCCS 27990f0eb4b3533c044a30987b02ff92 [0,2,0,0,0,0|0,1,1]=4 5308 B9R0.45 COCCNCCCSC 5acc6518722dda23f0e833b75bcb4d43 [0,2,0,0,0,0|2,0,0]=4 5309 B9R0.45 COCCOC/C=C/C=O 967f18e0ff39d9ac3e3f1923f75f6062 [0,2,0,0,0,0|0,0,2]=4 5310 B9R0.45 COCCOCCCC#N c7255805e22bdb55165c0c43583322cd [0,2,0,0,0,0|1,0,1]=4 5311 B9R0.45 COCCOCCCC=O 4eced31e0a91724ea66865665efb8a73 [0,2,0,0,0,0|0,0,0]=2 5312 B9R0.45 COCCOCCCCF b20408ace74068d11d9a143f8e9c3002 [0,2,0,0,0,0|1,0,1]=4 5313 B9R0.45 COCCOCCCCS e5e601e78ac3a0dacaff43ddb14a90d5 [0,2,0,0,0,0|0,1,1]=4 5314 B9R0.45 COCCOCCCSC dab5475c0c46b9f6c0451d35e0188c9a [0,2,0,0,0,0|2,0,0]=4 5315 B9R0.45 COCCOCCNC=O 5e7b5dc6a2bdf3c54f930b381d1b5f5a [0,2,0,0,0,0|1,0,0]=3 5316 B9R0.45 COCCOCCOC=O e4b02c69ad76bfd6e69932198cedf7cf [0,2,0,0,0,0|1,0,0]=3 5317 B9R0.45 COCNCCCCC#N b8aac371c5c9eaf24ddf134730ccf597 [0,2,0,0,0,0|1,0,1]=4 5318 B9R0.45 COCNCCCCCCl a0dd12d6c92889ef5c9dbc7111355b22 [0,2,0,0,0,0|1,0,1]=4 5319 B9R0.45 COCNCCCCCO 1110af8acba3f65702890e8caffb75f5 [0,2,0,0,0,0|0,0,2]=4 5320 B9R0.45 COCNCCCCSC 3efcc2c8f87ad2a9616d23644d1eec36 [0,2,0,0,0,0|2,0,0]=4 5321 B9R0.45 COCOCCCCC#N 18c7d924db114133854675f47f4da126 [0,2,0,0,0,0|1,0,1]=4 5322 B9R0.45 COCOCCCCC=O 1e9f4f95dc82f1192a72acc421b3ceb4 [0,2,0,0,0,0|0,0,0]=2 5323 B9R0.45 COCOCCCCCF 552d473a9e75c6c60097fb0f63ff4725 [0,2,0,0,0,0|1,0,1]=4 5324 B9R0.45 COCOCCCCSC 5a8925a203895139b02568d02e8838f1 [0,2,0,0,0,0|2,0,0]=4 5325 B9R0.45 COCOCCOCC=O 56cd8f5e42e3aae0878d43f728c9efb2 [0,2,0,0,0,0|1,0,0]=3 5326 B9R0.45 CSCCCCNCC#N c7ca8a317de65b8c1f3529327a3480b3 [0,2,0,0,0,0|1,0,1]=4 5327 B9R0.45 CSCCCCNCC=O ceb16b1926dbac74a0dccfe6e9c90c38 [0,2,0,0,0,0|0,0,0]=2 5328 B9R0.45 CSCCCCNCCF eb4285f3465d50eb1499c52088cbf457 [0,2,0,0,0,0|1,0,1]=4 5329 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [0,2,0,0,0,0|0,0,2]=4 5330 B9R0.45 CSCCCCNCCS 682e8882989090aad15ae2199ea00079 [0,2,0,0,0,0|0,1,1]=4 5331 B9R0.45 CSCCCCNCSC 9004b0297f052132bc439104f557fc1a [0,2,0,0,0,0|2,0,0]=4 5332 B9R0.45 CSCCCCOCC#N 4ab88cc0a26ae35d5aff39bc018b3a26 [0,2,0,0,0,0|1,0,1]=4 5333 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [0,2,0,0,0,0|0,0,0]=2 5334 B9R0.45 CSCCCCOCCF aac887e51d5db9e5aa39f268153a3254 [0,2,0,0,0,0|1,0,1]=4 5335 B9R0.45 CSCCCCOCCS 33de980d5fadef5f1403ffcc395bac65 [0,2,0,0,0,0|0,1,1]=4 5336 B9R0.45 CSCCCCOCSC 417291c6267fa98c1c8e9917f938c6b4 [0,2,0,0,0,0|2,0,0]=4 5337 B9R0.45 CSCCCNC/C=C/Cl 26147ee23fcbb7edc468c63248b74796 [0,2,0,0,0,0|1,0,1]=4 5338 B9R0.45 CSCCCNC/C=C\Cl a744ad4beb89314a8ce5ae94bd950539 [0,2,0,0,0,0|1,0,1]=4 5339 B9R0.45 CSCCCNC/C=C\O e7fdc99181aca5fb372020cfd9c7eca5 [0,2,0,0,0,0|0,0,2]=4 5340 B9R0.45 CSCCCNCCC#N f059cea59380bc5811ad49a4c94a3714 [0,2,0,0,0,0|1,0,1]=4 5341 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [0,2,0,0,0,0|0,0,0]=2 5342 B9R0.45 CSCCCNCCCCl 7f4c78f16ac095cee3176ca12fcee4a0 [0,2,0,0,0,0|1,0,1]=4 5343 B9R0.45 CSCCCNCCCF 4052620c5bdf251b957b5f3bde50156a [0,2,0,0,0,0|1,0,1]=4 5344 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [0,2,0,0,0,0|0,0,2]=4 5345 B9R0.45 CSCCCNCCCS 97057dd7d935d2f95b3ee1000cbb184d [0,2,0,0,0,0|0,1,1]=4 5346 B9R0.45 CSCCCNCCON 6126a4c2e6e275cfdd0a038c21356ed1 [0,2,0,0,0,0|2,0,0]=4 5347 B9R0.45 CSCCCNCCSC 2f06fa7b97b4146d991f471dbf0a7c93 [0,2,0,0,0,0|2,0,0]=4 5348 B9R0.45 CSCCCOC/C=C/Cl 953110c37c8f1d696f3b3d249468310d [0,2,0,0,0,0|1,0,1]=4 5349 B9R0.45 CSCCCOC/C=C\Cl e6fa9fc6ddc50d0b38473ef87e87ee22 [0,2,0,0,0,0|1,0,1]=4 5350 B9R0.45 CSCCCOCC=CCl 3c527ae5a2db076ec65c9486dca2bfef [0,2,0,0,0,0|1,0,1]=4 5351 B9R0.45 CSCCCOCCC#N 69d7956b0d843aa67dc433be64c64a1c [0,2,0,0,0,0|1,0,1]=4 5352 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [0,2,0,0,0,0|0,0,0]=2 5353 B9R0.45 CSCCCOCCCF cb30debe154d4a7b3005d488cfb6fa61 [0,2,0,0,0,0|1,0,1]=4 5354 B9R0.45 CSCCCOCCCS 0391bd7bea00218f448987cd36d5692b [0,2,0,0,0,0|0,1,1]=4 5355 B9R0.45 CSCCCOCCSC 9150bed872b2d0fc2d95b9fd47ac634b [0,2,0,0,0,0|2,0,0]=4 5356 B9R0.45 CSCCNCCCC#N 68c8840569b09f6431d8cd2e14ceefac [0,2,0,0,0,0|1,0,1]=4 5357 B9R0.45 CSCCNCCCC=O 8d7d5642d85386280bfc36051d0df084 [0,2,0,0,0,0|0,0,0]=2 5358 B9R0.45 CSCCNCCCCCl 85af5239132b11d8e5818503435dc73b [0,2,0,0,0,0|1,0,1]=4 5359 B9R0.45 CSCCNCCCCF 67050d45317e3fec381fef45ca9c6729 [0,2,0,0,0,0|1,0,1]=4 5360 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [0,2,0,0,0,0|0,0,2]=4 5361 B9R0.45 CSCCNCCCCS ed99b0ba4147c99a639241029e1f64f8 [0,2,0,0,0,0|0,1,1]=4 5362 B9R0.45 CSCCOC/C=C/C=O b4c56aba648070db4d17b4c5e68d691a [0,2,0,0,0,0|0,0,2]=4 5363 B9R0.45 CSCCOCCCC#N 75042e2c1d7f48116b05e0b5336fece7 [0,2,0,0,0,0|1,0,1]=4 5364 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [0,2,0,0,0,0|0,0,0]=2 5365 B9R0.45 CSCCOCCCCF b0c90fda651092e4188cbba95d298c71 [0,2,0,0,0,0|1,0,1]=4 5366 B9R0.45 CSCCOCCCCS 7bc51830898adb55a997ac08cfc7c8a8 [0,2,0,0,0,0|0,1,1]=4 5367 B9R0.45 CSCCOCCNC=O 45e773006217e1f2d795f168e07555a6 [0,2,0,0,0,0|1,0,0]=3 5368 B9R0.45 CSCCOCCOC=O 40e891e92003ea888885a83977e0fbb7 [0,2,0,0,0,0|1,0,0]=3 5369 B9R0.45 CSCNCCCCC#N 57b1900f8118ff749ab2257589c388fa [0,2,0,0,0,0|1,0,1]=4 5370 B9R0.45 CSCNCCCCCCl 0b603e33beb081e9c74bb4afe9d4d0e7 [0,2,0,0,0,0|1,0,1]=4 5371 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [0,2,0,0,0,0|0,0,2]=4 5372 B9R0.45 CSCOCCCCC#N 46997875275e2015c4bff3c116274b7c [0,2,0,0,0,0|1,0,1]=4 5373 B9R0.45 CSCOCCCCC=O e279a2cb99bc97e67b45db8cbfac7c12 [0,2,0,0,0,0|0,0,0]=2 5374 B9R0.45 CSCOCCOCC=O bffa0b86bda7eab4537345618cfe61ad [0,2,0,0,0,0|1,0,0]=3 5375 B9R0.45 Cl/C=C/CNCCCCCl d2f8a6125b12efb07a719af9927ed6fa [0,2,0,0,0,0|1,0,1]=4 5376 B9R0.45 Cl/C=C\CNCCCCCl 1866cce1f568d3378c540b3fba6ebed2 [0,2,0,0,0,0|1,0,1]=4 5377 B9R0.45 FCCCCCCOCF 7fc0be4fea9d788b90d0660a719e3795 [0,2,0,0,0,0|1,0,1]=4 5378 B9R0.45 FCCCCCNCCBr dce5795b6e362f6f81c2b4c1b6dd1f9d [0,2,0,0,0,0|1,0,1]=4 5379 B9R0.45 FCCCCCNCCF 7fe63aca5cdc241e7c8cd453bf41d70b [0,2,0,0,0,0|1,0,1]=4 5380 B9R0.45 FCCCCCNCCI ca96c77768ae738bd37fab0686d3adba [0,2,0,0,0,0|1,0,1]=4 5381 B9R0.45 FCCCCCNCCS 39d9c748010810332a70db8f544b7153 [0,2,0,0,0,0|0,1,1]=4 5382 B9R0.45 FCCCCCOCCF 730daee247e71afcf11a456cbc27167d [0,2,0,0,0,0|1,0,1]=4 5383 B9R0.45 FCCCCCOCCS c444156405502fbe4bce7524fa0a32df [0,2,0,0,0,0|0,1,1]=4 5384 B9R0.45 FCCCCNCCCCl 12fed9dc35508f2802d02f716f90f8f5 [0,2,0,0,0,0|1,0,1]=4 5385 B9R0.45 FCCCCOC/C=C/Cl 8eb11471f2c3886d1faebc4a84a8f6cc [0,2,0,0,0,0|1,0,1]=4 5386 B9R0.45 FCCCCOC/C=C\Cl a7ea56c1fc92c39de2b154feb4ab02c9 [0,2,0,0,0,0|1,0,1]=4 5387 B9R0.45 FCCCCOCC=CCl ed0229fac74ff2828cf030685940c5a5 [0,2,0,0,0,0|1,0,1]=4 5388 B9R0.45 FCCCCOCCCF ff91a2a5bb12ba135ba2bf8e130183dd [0,2,0,0,0,0|1,0,1]=4 5389 B9R0.45 FCCCCOCCCS 574abf66c2026bf7345e52ca658fb3fe [0,2,0,0,0,0|0,1,1]=4 5390 B9R0.45 FCCCNCCCCCl 424fa896e39e4b23a0d73accaabe0334 [0,2,0,0,0,0|1,0,1]=4 5391 B9R0.45 FCCCNCCCCS b6502df80635be2247403e587a33bec3 [0,2,0,0,0,0|0,1,1]=4 5392 B9R0.45 FCCCOCCCCS 7010b785144f3aae609eeb67e5b5fb09 [0,2,0,0,0,0|0,1,1]=4 5393 B9R0.45 FCCNCCCCCCl a79b69a2d6f82399364dc9e942b39241 [0,2,0,0,0,0|1,0,1]=4 5394 B9R0.45 FCNCCCCCCCl 78c6929f3129eb6d06ca105ce320613c [0,2,0,0,0,0|1,0,1]=4 5395 B9R0.45 FCOCCCCCCS bc16a0c993f73bdeec29888445293583 [0,2,0,0,0,0|0,1,1]=4 5396 B9R0.45 N#CCCCCCNC=O a3dece92023954edd0841cbe0f7c23ab [0,2,0,0,0,0|0,0,1]=3 5397 B9R0.45 N#CCCCCCNCF 74f085d366d4906c4a792bd85ac18755 [0,2,0,0,0,0|1,0,1]=4 5398 B9R0.45 N#CCCCCCNCO 8cf35c2b063418dea5bd7ac578a32bab [0,2,0,0,0,0|1,0,1]=4 5399 B9R0.45 N#CCCCCCOCF 648b325737518e95a3b304c3bf0a48e8 [0,2,0,0,0,0|1,0,1]=4 5400 B9R0.45 N#CCCCCNCC=O 5b4e022c5419fd9ebb78c5d132cdbe22 [0,2,0,0,0,0|0,0,1]=3 5401 B9R0.45 N#CCCCCNCCBr 35a3e3710d2cdcf7f9084d5a40a04fd0 [0,2,0,0,0,0|1,0,1]=4 5402 B9R0.45 N#CCCCCNCCF 08195a89e1b78739107a0afce2a2ea85 [0,2,0,0,0,0|1,0,1]=4 5403 B9R0.45 N#CCCCCNCCI 6cafebc4561bdcc3514e53c6ea2bed0c [0,2,0,0,0,0|1,0,1]=4 5404 B9R0.45 N#CCCCCNCCO b36c4ca39c56ea673027c137565d38af [0,2,0,0,0,0|1,0,1]=4 5405 B9R0.45 N#CCCCCNCCS 4a8127ed4a2795dc6b87b9d1b60e54d4 [0,2,0,0,0,0|1,0,1]=4 5406 B9R0.45 N#CCCCCOCC=O a86c5ccc5668a8da4e1062f9b8cd25d8 [0,2,0,0,0,0|0,0,1]=3 5407 B9R0.45 N#CCCCCOCCF f44af2ffdea357fd9b68d0cca636d8df [0,2,0,0,0,0|1,0,1]=4 5408 B9R0.45 N#CCCCCOCCS 3dace2b28ca746633fb2e632622bb6de [0,2,0,0,0,0|1,0,1]=4 5409 B9R0.45 N#CCCCNCCC=O add15463c2f6133e790c57557155adf3 [0,2,0,0,0,0|0,0,1]=3 5410 B9R0.45 N#CCCCNCCCCl 5e47de6d86b5716a38ed4d6f2f845531 [0,2,0,0,0,0|1,0,1]=4 5411 B9R0.45 N#CCCCNCCCF d81ed753f0679c4e90bcfa9d776f3ce8 [0,2,0,0,0,0|1,0,1]=4 5412 B9R0.45 N#CCCCNCCCO 405707629da08b0419a19bb721585805 [0,2,0,0,0,0|1,0,1]=4 5413 B9R0.45 N#CCCCNCCCS c442519ee127d38a740055112a29a57c [0,2,0,0,0,0|1,0,1]=4 5414 B9R0.45 N#CCCCOCCC=O 0a6df9c30b4a59527dbedb9f11421c96 [0,2,0,0,0,0|0,0,1]=3 5415 B9R0.45 N#CCCCOCCCF ecae47bd752538b1e595278f676cbf52 [0,2,0,0,0,0|1,0,1]=4 5416 B9R0.45 N#CCCCOCCCS 87f3e183e7450c48a0767b73a962b230 [0,2,0,0,0,0|1,0,1]=4 5417 B9R0.45 N#CCCNCCCC=O bc2f87bb4da75e86e42f68ebd8e9391d [0,2,0,0,0,0|0,0,1]=3 5418 B9R0.45 N#CCCNCCCCCl 4ec993cc8d8b85332b0b2ca871f6d09d [0,2,0,0,0,0|1,0,1]=4 5419 B9R0.45 N#CCCNCCCCF 8a8036c5dffd2e1a2a38a6b4070bbfa9 [0,2,0,0,0,0|1,0,1]=4 5420 B9R0.45 N#CCCNCCCCO 8f31110df948a5da40f0fc55e4e2b411 [0,2,0,0,0,0|1,0,1]=4 5421 B9R0.45 N#CCCNCCCCS c18dd9a6c27892607f9a9bcd5d9386f7 [0,2,0,0,0,0|1,0,1]=4 5422 B9R0.45 N#CCCOCCCC=O d6a9ec1909ce723f0328c3000aa7c7e2 [0,2,0,0,0,0|0,0,1]=3 5423 B9R0.45 N#CCCOCCCCF 8b21112bc540d29686d0ed57de84b37c [0,2,0,0,0,0|1,0,1]=4 5424 B9R0.45 N#CCCOCCCCS d73ffec7edbe136df99b3856a723df19 [0,2,0,0,0,0|1,0,1]=4 5425 B9R0.45 N#CCCOCCNC=O 659d77cac63d7ea040b7e381ab734e02 [0,2,0,0,0,0|1,0,1]=4 5426 B9R0.45 N#CCCOCCOC=O 3ba0cd1e8f3895f4b647eab387820cdb [0,2,0,0,0,0|1,0,1]=4 5427 B9R0.45 N#CCNCCCCC=O 21463f9e6f65ccef1d23ef141a3d8667 [0,2,0,0,0,0|0,0,1]=3 5428 B9R0.45 N#CCNCCCCCCl ad9cae3eca2b2debd94d98a9588a3c1f [0,2,0,0,0,0|1,0,1]=4 5429 B9R0.45 N#CCNCCCCCF 1dfa72485885fb2a949b787c5742e727 [0,2,0,0,0,0|1,0,1]=4 5430 B9R0.45 N#CCNCCCCCO 3daac7eea92d9369d601f647ee6c319c [0,2,0,0,0,0|1,0,1]=4 5431 B9R0.45 N#CCNCCOCC=O 6a593a3693693617ea2055ab12ddad5c [0,2,0,0,0,0|1,0,1]=4 5432 B9R0.45 N#CCOCCCCC=O cb025efacedea55aeaa23f228f24ab02 [0,2,0,0,0,0|0,0,1]=3 5433 B9R0.45 N#CCOCCCCCF 18f85119066363d84b7122e0db7fc998 [0,2,0,0,0,0|1,0,1]=4 5434 B9R0.45 N#CCOCCOCC=O a1b8bc860af85d377b165aea3f749ac5 [0,2,0,0,0,0|1,0,1]=4 5435 B9R0.45 N#CNCCCCCC=O 5e624ca6b4f41f0539c147be0d44df02 [0,2,0,0,0,0|0,0,1]=3 5436 B9R0.45 N#CNCCCCCCF a78b31d712445e1a673b111d2beae2f0 [0,2,0,0,0,0|1,0,1]=4 5437 B9R0.45 N#CNCCCCCCO f0aff8719e38b436598a2375b3e83e00 [0,2,0,0,0,0|1,0,1]=4 5438 B9R0.45 N#CSCOCCCC=O 3f12b6a3336c3aa6ee5dd035eb515229 [0,2,0,0,0,0|1,0,1]=4 5439 B9R0.45 NOCCCCNCCBr 2cbb9b1f5fa15a0cb11d2d1a54069b68 [0,2,0,0,0,0|2,0,0]=4 5440 B9R0.45 NOCCCCNCCF 10f842002b86ebb015645863174f6d5a [0,2,0,0,0,0|2,0,0]=4 5441 B9R0.45 NOCCCCNCCI 4bc1d3a6214dfb3b4d79e66c7249aab3 [0,2,0,0,0,0|2,0,0]=4 5442 B9R0.45 NOCCCCNCCO 1d50ca22b804edf20454494705831695 [0,2,0,0,0,0|2,0,0]=4 5443 B9R0.45 NOCCCCNCCS 25e84b54ccd0981b7c564b347fc200ff [0,2,0,0,0,0|2,0,0]=4 5444 B9R0.45 NOCCNCCCC=O adc84148913736be6fd155b0da37ca06 [0,2,0,0,0,0|1,0,0]=3 5445 B9R0.45 NOCCNCCCCF 310243ec127a8ca6e81f867ec9c88c3a [0,2,0,0,0,0|2,0,0]=4 5446 B9R0.45 NOCCNCCCCO 52a45d1382cbb83a17f55fac93f63db8 [0,2,0,0,0,0|2,0,0]=4 5447 B9R0.45 NOCCOCCNC=O 7f8f6a698be1d85448f32cb8ea44e527 [0,2,0,0,0,0|2,0,0]=4 5448 B9R0.45 O/C=C\CNCCCCCl 32d99f4bcc2d097dc5f961a7d77eb85e [0,2,0,0,0,0|0,0,2]=4 5449 B9R0.45 O/C=C\CNCCCCO 3aa0b00108be3944a3394c12f0569f56 [0,2,0,0,0,0|0,0,2]=4 5450 B9R0.45 O/C=C\CNCCCCS e7c825c7fbc5972a6c8f8ade5068f2d0 [0,2,0,0,0,0|0,0,2]=4 5451 B9R0.45 O=C/C=C/COCCCF fcd18cdaba64e2c966479a4a46b113b7 [0,2,0,0,0,0|0,0,2]=4 5452 B9R0.45 O=C/C=C/COCCCS 4f5fd7cc130b52277441647b966078c4 [0,2,0,0,0,0|0,0,2]=4 5453 B9R0.45 O=CCCCCNCCBr 5abec0ed0917442c8c232cdb425a9841 [0,2,0,0,0,0|0,0,0]=2 5454 B9R0.45 O=CCCCCNCCF eb9f24cce8e482daf38d14d9d549bbb1 [0,2,0,0,0,0|0,0,0]=2 5455 B9R0.45 O=CCCCCNCCI 70b4665906e4318f4c49372e2844c374 [0,2,0,0,0,0|0,0,0]=2 5456 B9R0.45 O=CCCCCNCCO 85ae23fbf5ae9276f3b511278a68fed1 [0,2,0,0,0,0|0,0,0]=2 5457 B9R0.45 O=CCCCCNCCS deffd1d2c176beb2f0f71b26a9711ee2 [0,2,0,0,0,0|0,0,0]=2 5458 B9R0.45 O=CCCCCOCC=O 7ef8386ecbb49019770effbfa4132a27 [0,2,0,0,0,0|0,0,1]=3 5459 B9R0.45 O=CCCCCOCCF 9b2c7b33aa8c8f306ca8eb570fcf7b58 [0,2,0,0,0,0|0,0,0]=2 5460 B9R0.45 O=CCCCCOCCS bc4f0fef628b9966ab9f3b44089a7d10 [0,2,0,0,0,0|0,0,0]=2 5461 B9R0.45 O=CCCCNCCCCl 3dae4dda634271ae27163fd45f5d3163 [0,2,0,0,0,0|0,0,0]=2 5462 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [0,2,0,0,0,0|0,0,0]=2 5463 B9R0.45 O=CCCCOC/C=C/Cl bcde85e21af98773aa37b12d40d790f6 [0,2,0,0,0,0|0,0,2]=4 5464 B9R0.45 O=CCCCOC/C=C\Cl 757fb12ee9b1e26dd233c1ee9f289249 [0,2,0,0,0,0|0,0,2]=4 5465 B9R0.45 O=CCCCOCC#CI 30e54c04b4fbc462baadde8d5da8fb78 [0,2,0,0,0,0|0,0,2]=4 5466 B9R0.45 O=CCCCOCC=CCl 5b3d20d2f66ed18b78e7502b186079cd [0,2,0,0,0,0|0,0,2]=4 5467 B9R0.45 O=CCCCOCCC=O de1a62baa6fb31c701c46d9e029ef69d [0,2,0,0,0,0|0,0,1]=3 5468 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [0,2,0,0,0,0|0,0,0]=2 5469 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [0,2,0,0,0,0|0,0,0]=2 5470 B9R0.45 O=CCCNCC#CCO 0b1a0e434edf99606afc58538e366c18 [0,2,0,0,0,0|0,0,2]=4 5471 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [0,2,0,0,0,0|0,0,0]=2 5472 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [0,2,0,0,0,0|0,0,0]=2 5473 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [0,2,0,0,0,0|0,0,0]=2 5474 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [0,2,0,0,0,0|0,0,0]=2 5475 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [0,2,0,0,0,0|0,0,0]=2 5476 B9R0.45 O=CCCOCCNC=O e29fe5079905da4014933ed6e85b198f [0,2,0,0,0,0|1,0,1]=4 5477 B9R0.45 O=CCCOCCOC=O 481f74f4a74e340c595a87b689454483 [0,2,0,0,0,0|1,0,1]=4 5478 B9R0.45 O=CCNCCCCCCl a090314f6f7fb6541d79b47c4505cb08 [0,2,0,0,0,0|0,0,0]=2 5479 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [0,2,0,0,0,0|0,0,0]=2 5480 B9R0.45 O=CCNCCOCCO de08778415c857e8542965cf026469b7 [0,2,0,0,0,0|1,0,0]=3 5481 B9R0.45 O=CCNCCOCCS 7851b687cdf6989a2552d5cf39972361 [0,2,0,0,0,0|1,0,0]=3 5482 B9R0.45 O=CCNCCSCCO d264e55e90c1c69869186baf5c4b2562 [0,2,0,0,0,0|1,0,0]=3 5483 B9R0.45 O=CCOCCNCCBr 9819b5c51421182fcdb248da2578a61b [0,2,0,0,0,0|1,0,0]=3 5484 B9R0.45 O=CCOCCNCCF e9530f27022516b2df446fd4acb3c2b4 [0,2,0,0,0,0|1,0,0]=3 5485 B9R0.45 O=CCOCCNCCI 982e6a53b402275ae463ac8e959e2533 [0,2,0,0,0,0|1,0,0]=3 5486 B9R0.45 O=CCOCCNCCO a2db44e87b2fb5f984ed853f6da8166f [0,2,0,0,0,0|1,0,0]=3 5487 B9R0.45 O=CCOCCNCCS 30555c8d14175bdff7d9852359d5da46 [0,2,0,0,0,0|1,0,0]=3 5488 B9R0.45 O=CCOCCOCC=O 52a0d28bdbebdf56e939aa2f542af2e6 [0,2,0,0,0,0|1,0,1]=4 5489 B9R0.45 O=CCOCCOCCF 8034a51f97cd228bd06c22d3c7378cb2 [0,2,0,0,0,0|1,0,0]=3 5490 B9R0.45 O=CCOCCOCCS 78becc0461eb1993db100c499f5982b4 [0,2,0,0,0,0|1,0,0]=3 5491 B9R0.45 O=CNCCCCCCCl a8d8b40eb8e24dc175f39e3613e37fe1 [0,2,0,0,0,0|0,0,0]=2 5492 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [0,2,0,0,0,0|0,0,0]=2 5493 B9R0.45 O=CNCCCOCCO c13219eb813f52a6a7b71943199239d8 [0,2,0,0,0,0|1,0,0]=3 5494 B9R0.45 O=CNCCOCCCF aecb41e1dec5d5cfb70b44dddd0a16bd [0,2,0,0,0,0|1,0,0]=3 5495 B9R0.45 O=CNCCOCCCO 2927b39b5e49691c6067a00f092b2e7d [0,2,0,0,0,0|1,0,0]=3 5496 B9R0.45 O=CNCCOCCCS 2f83dfa3851bd131879a6c8d5ea708d2 [0,2,0,0,0,0|1,0,0]=3 5497 B9R0.45 O=CNCCSSCCO 38282050350e47f7065b0f12b10abf86 [0,2,0,0,0,0|2,0,0]=4 5498 B9R0.45 O=COCCOCCCF c6307ebf3fb8c4d9a04e9e143e22f0f0 [0,2,0,0,0,0|1,0,0]=3 5499 B9R0.45 O=COCCOCCCS d7818eb647bba146b010bb20a5b86538 [0,2,0,0,0,0|1,0,0]=3 5500 B9R0.45 OCCCCCCNCF 9f8dd59df8b832f35306dcc311b8ba0b [0,2,0,0,0,0|0,0,2]=4 5501 B9R0.45 OCCCCCCNCO b03974d5eaea260ed44c4429a42a8efd [0,2,0,0,0,0|0,0,2]=4 5502 B9R0.45 OCCCCCNCCBr b6fe72a70aa9ee94c38953fc5fa03507 [0,2,0,0,0,0|0,0,2]=4 5503 B9R0.45 OCCCCCNCCF efe70d32a4c6133cd05e8c1bf8301a0a [0,2,0,0,0,0|0,0,2]=4 5504 B9R0.45 OCCCCCNCCI 4b343205ce8465baed90cb0f419c6c4d [0,2,0,0,0,0|0,0,2]=4 5505 B9R0.45 OCCCCCNCCO c6e0d5af126a56a449acd76dabb0d0a6 [0,2,0,0,0,0|0,0,2]=4 5506 B9R0.45 OCCCCCNCCS 81db03003d62237a4ac003bf8b7c1409 [0,2,0,0,0,0|0,0,2]=4 5507 B9R0.45 OCCCCNC/C=C/Cl 99e093bde3af5d4b3e6bf56d8b660730 [0,2,0,0,0,0|1,0,1]=4 5508 B9R0.45 OCCCCNC/C=C\Cl c678f5babe5e1761ad27d1425ff5cd37 [0,2,0,0,0,0|1,0,1]=4 5509 B9R0.45 OCCCCNCCCCl 5d4dd36721e99428cdc35a6893c3e2fe [0,2,0,0,0,0|0,0,2]=4 5510 B9R0.45 OCCCCNCCCF 6f20b166a61175e5d8c115f1b02448f2 [0,2,0,0,0,0|0,0,2]=4 5511 B9R0.45 OCCCCNCCCO 5785bad1b39de5e973646d0653e00598 [0,2,0,0,0,0|0,0,2]=4 5512 B9R0.45 OCCCCNCCCS 15be786d5d00bee1f4424bf326f6da44 [0,2,0,0,0,0|0,0,2]=4 5513 B9R0.45 OCCCNCCCCCl 19919d9b789640b88d6d653b90e1be74 [0,2,0,0,0,0|0,0,2]=4 5514 B9R0.45 OCCCNCCCCF 1b694695d8d20de2554ac05a72c91dce [0,2,0,0,0,0|0,0,2]=4 5515 B9R0.45 OCCCNCCCCS 8e91b12d63d803cd106ce9f5169f8923 [0,2,0,0,0,0|0,0,2]=4 5516 B9R0.45 OCCNCCCCCCl e9f98005127c4b0d506088db3b60ee60 [0,2,0,0,0,0|0,0,2]=4 5517 B9R0.45 OCCNCCCCCF 758b4b8080a41888cab6ab1d11640066 [0,2,0,0,0,0|0,0,2]=4 5518 B9R0.45 OCNCCCCCCCl 6c66f104945205670f9512f61ea483f8 [0,2,0,0,0,0|0,0,2]=4 5519 B9R0.45 SCCCCNC/C=C/Cl 107983845b050d954cca3d1b9e73725e [0,2,0,0,0,0|1,0,1]=4 5520 B9R0.45 SCCCCNC/C=C\Cl c685fb927acdf3fc4f078a4ce9627dd4 [0,2,0,0,0,0|1,0,1]=4 5521 B9R0.45 SCCCCNCCCS 52e31175b40890d5df18b144eab7acd6 [0,2,0,0,0,0|0,1,1]=4 5522 B9R0.45 SCCCCOC/C=C/Cl 4ee4661329eea7bb56727b1b161ee4a5 [0,2,0,0,0,0|1,0,1]=4 5523 B9R0.45 SCCCCOC/C=C\Cl 8f7535932d06c7b346539707611655b3 [0,2,0,0,0,0|1,0,1]=4 5524 B9R0.45 SCCCCOCCCS b7680e9b2ba2fe24d6f57101d2c06d7b [0,2,0,0,0,0|0,1,1]=4 5525 B9R0.45 SCCCNCCCCCl a8500181cb93f61928fae606cdb0a5c8 [0,2,0,0,0,0|0,1,1]=4 5526 B9R0.45 SCCNCCCCCCl 1ad9c566dc6f6107f2e7c5f2c811a3d0 [0,2,0,0,0,0|0,1,1]=4 5527 B9R0.46 C#CC(=O)NCCCCC 55fc13b7f9003645b4c9dcf569b4fc58 [0,2,0,0,0,0|1,0,0]=3 5528 B9R0.46 C#CC(=O)NCCCCCl 3674f21990062df31e12df9d4daa5cd6 [0,2,0,0,0,0|2,0,0]=4 5529 B9R0.46 C#CC(=O)NCCCCO e8f7fb5a6162ca32ac17445863f897b0 [0,2,0,0,0,0|2,0,0]=4 5530 B9R0.46 C#CC(=O)NCCCCS 04f3c04a5d817818e6da71d5d17e02f6 [0,2,0,0,0,0|2,0,0]=4 5531 B9R0.46 C#CC(=O)NCCCOC 420626e593e2197c5cda6c01fa78f1c3 [0,2,0,0,0,0|2,0,0]=4 5532 B9R0.46 C#CC(=O)NCCCSC 483070dad8d74f4940d7e7706a09d9ce [0,2,0,0,0,0|2,0,0]=4 5533 B9R0.46 C#CC(=O)NCCOCC 504072676d65eb8d923fe6ba8d095802 [0,2,0,0,0,0|2,0,0]=4 5534 B9R0.46 C#CC(=O)NCCSCC 91b900f5787dbc902ef5cb88ad96f3b7 [0,2,0,0,0,0|2,0,0]=4 5535 B9R0.46 C#CC(C)NCCCC=C 91abe33fc4ac5fcc6c4eb8ee8d23fcb2 [0,2,0,0,0,0|2,0,0]=4 5536 B9R0.46 C#CC(C)NCCCC=O d1ac297fddb60173903a6fd3b70a445f [0,2,0,0,0,0|1,0,0]=3 5537 B9R0.46 C#CC(C)NCCCCC 21e7b66ce14413a2e8b458b012c3230d [0,2,0,0,0,0|1,0,1]=4 5538 B9R0.46 C#CC(C)OCCCC=C e8dbb56ce691fd4359487a7c09827b15 [0,2,0,0,0,0|2,0,0]=4 5539 B9R0.46 C#CC(C)OCCCC=O 9ffbf0b532c58ba823934d4ed499186e [0,2,0,0,0,0|1,0,0]=3 5540 B9R0.46 C#CC(C)OCCCCC 76b6ee9437b089f126e28f482afa7ff9 [0,2,0,0,0,0|1,0,1]=4 5541 B9R0.46 C#CC(C)OCCNC=O 989872f74fff13e8a61356903a082832 [0,2,0,0,0,0|2,0,0]=4 5542 B9R0.46 C#CC(C)OCCOC=O 646b55043dfadf955d4d98f63d7b14a5 [0,2,0,0,0,0|2,0,0]=4 5543 B9R0.46 C#CCCCCN(C)CC df45f055b3e1e5c41b5aeb4f304e7246 [0,2,0,0,0,0|1,0,1]=4 5544 B9R0.46 C#CCCCNC(C)C=O b87db027dca7b3cd4d72aad242f370cd [0,2,0,0,0,0|0,0,2]=4 5545 B9R0.46 C#CCCCNC(C)CC 32e586d801ce3b18cd46ba99ebbc651c [0,2,0,0,0,0|1,0,1]=4 5546 B9R0.46 C#CCCCN[C@@H](C)CC db2611f8025f871b1516299654d753d5 [0,2,0,0,0,0|1,0,1]=4 5547 B9R0.46 C#CCCCN[C@H](C)C=O 73d6ef0702af7d1ead800aa48e005eed [0,2,0,0,0,0|0,0,2]=4 5548 B9R0.46 C#CCCCN[C@H](C)CC c5ad5ede5b07af35ea9a83654dd25c5c [0,2,0,0,0,0|1,0,1]=4 5549 B9R0.46 C#CCCCOC(C)C=O 621b5bb2926b9ba84c30a782a2e8d203 [0,2,0,0,0,0|0,0,2]=4 5550 B9R0.46 C#CCCCOC(C)CC 1e639a2095fa15178ae372d9451084a1 [0,2,0,0,0,0|1,0,1]=4 5551 B9R0.46 C#CCCCO[C@@H](C)CC 90825cc991749be8b06d0183f591302a [0,2,0,0,0,0|1,0,1]=4 5552 B9R0.46 C#CCCCO[C@H](C)C=O ac85badae5c63aa3576acbc441b7a763 [0,2,0,0,0,0|0,0,2]=4 5553 B9R0.46 C#CCCCO[C@H](C)CC b12d2316f339eccf00f388243ad5d3a8 [0,2,0,0,0,0|1,0,1]=4 5554 B9R0.46 C#CCCNCC(C)CC e263b5789fdcdc707d076fc2fd13d0b5 [0,2,0,0,0,0|1,0,1]=4 5555 B9R0.46 C#CCCNCC(O)CC af898a0ae5a62ea8407044473b014e47 [0,2,0,0,0,0|1,0,1]=4 5556 B9R0.46 C#CCCNC[C@@H](C)CC 878e18ab04ceba3857e43068a87a0402 [0,2,0,0,0,0|1,0,1]=4 5557 B9R0.46 C#CCCNC[C@H](C)CC 1531dce6186f38f25f3a2ebe51638e81 [0,2,0,0,0,0|1,0,1]=4 5558 B9R0.46 C#CCCNC[C@H](O)CC 3c76d836e081a9209bf738761969467c [0,2,0,0,0,0|1,0,1]=4 5559 B9R0.46 C#CCCOCC(C)CC 9c961bd41f416fb9867875ce208aff79 [0,2,0,0,0,0|1,0,1]=4 5560 B9R0.46 C#CCCOC[C@@H](C)CC a40b618327c24f2667b5483ac78c9721 [0,2,0,0,0,0|1,0,1]=4 5561 B9R0.46 C#CCCOC[C@H](C)CC 7413194d48494e4c5978541ecb81a3c6 [0,2,0,0,0,0|1,0,1]=4 5562 B9R0.46 C#CCNCCC(C)CC 7ebf261f051b7842f1af3e221c414b11 [0,2,0,0,0,0|1,0,1]=4 5563 B9R0.46 C#CCOCCC(C)CC cad05327d60217f2a06b57e98d3204c5 [0,2,0,0,0,0|1,0,1]=4 5564 B9R0.46 C#CCOCCC(S)CC 49220c8da0d6a11155280658e9ee4ae3 [0,2,0,0,0,0|1,0,1]=4 5565 B9R0.46 C#CCOCC[C@@H](C)CC af76e82dcdf2013f9ccb2a7578037173 [0,2,0,0,0,0|1,0,1]=4 5566 B9R0.46 C#C[C@@H](C)NCCCC=C 204c64b6fafe483808e580d08db9c0fa [0,2,0,0,0,0|2,0,0]=4 5567 B9R0.46 C#C[C@@H](C)NCCCC=O 030380ccb819c6bd983103f0301383b3 [0,2,0,0,0,0|1,0,0]=3 5568 B9R0.46 C#C[C@@H](C)NCCCCC 9cd6488054503f17b4a16f01573640bb [0,2,0,0,0,0|1,0,1]=4 5569 B9R0.46 C#C[C@@H](C)OCCCC=C f42a5c268cd40e88100414827b1e5ebf [0,2,0,0,0,0|2,0,0]=4 5570 B9R0.46 C#C[C@@H](C)OCCCC=O ccb1ca3d63cbbf880294800d4adbbc8b [0,2,0,0,0,0|1,0,0]=3 5571 B9R0.46 C#C[C@@H](C)OCCCCC 3c34864980631567cd4915bec8682212 [0,2,0,0,0,0|1,0,1]=4 5572 B9R0.46 C#C[C@H](C)NCCCC=C 7f6cae65515b9191dcefe4b1ae70d9ab [0,2,0,0,0,0|2,0,0]=4 5573 B9R0.46 C#C[C@H](C)NCCCC=O 77516fb4108743b53263b1df3f5099b5 [0,2,0,0,0,0|1,0,0]=3 5574 B9R0.46 C#C[C@H](C)NCCCCC 1ccbdfcf5e66dd26e5a3afabafb965f8 [0,2,0,0,0,0|1,0,1]=4 5575 B9R0.46 C#C[C@H](C)OCCCC=C a38306b48694a79637239d898405b6ea [0,2,0,0,0,0|2,0,0]=4 5576 B9R0.46 C#C[C@H](C)OCCCC=O cff0e67dbc0f909efcaf1853c5d40efd [0,2,0,0,0,0|1,0,0]=3 5577 B9R0.46 C#C[C@H](C)OCCCCC 91d302487070c0e6a0a84637d96b6210 [0,2,0,0,0,0|1,0,1]=4 5578 B9R0.46 C/C(=C\I)/COCCC=O 93958d036f1900951a42b7d7b7d30852 [0,2,0,0,0,0|1,0,1]=4 5579 B9R0.46 C/C=C/CCOC(C)C=O 3ad4da93be98069af5793980e01a210a [0,2,0,0,0,0|0,0,2]=4 5580 B9R0.46 C/C=C/CCOC(C)CC 24e3cbba50c85cd72892fd069a4e6975 [0,2,0,0,0,0|1,0,1]=4 5581 B9R0.46 C/C=C/CCO[C@H](C)C=O d30e75c82fb917355dec843613f68c7e [0,2,0,0,0,0|0,0,2]=4 5582 B9R0.46 C/C=C/CNCC(C)CC d4d5dbaacaf62c27e0589663078b69f2 [0,2,0,0,0,0|1,0,1]=4 5583 B9R0.46 C/C=C/CNCC(O)CC 676dd859e1bed1d6b1559841efd44ac9 [0,2,0,0,0,0|1,0,1]=4 5584 B9R0.46 C/C=C/CNC[C@@H](C)CC ed0bcb921cd80ed1e80015ece823329d [0,2,0,0,0,0|1,0,1]=4 5585 B9R0.46 C/C=C/CNC[C@H](O)CC 60418180ebe3f0773db3d273757dad39 [0,2,0,0,0,0|1,0,1]=4 5586 B9R0.46 C/C=C/COCC(C)CC 7983f125636e3f3134027fe3de3217cf [0,2,0,0,0,0|1,0,1]=4 5587 B9R0.46 C/C=C/COC[C@@H](C)CC a7d45b26084424e278986d5665db30d0 [0,2,0,0,0,0|1,0,1]=4 5588 B9R0.46 C/C=C/COC[C@H](C)CC f3e6ac5120a70460a4712060145a9b17 [0,2,0,0,0,0|1,0,1]=4 5589 B9R0.46 C/C=C\CCCN(C)CC a8321e91175cb4a9aca5e29223a9a28e [0,2,0,0,0,0|1,0,1]=4 5590 B9R0.46 C/C=C\CNCC(C)CC 25cc0d112a496fa964731ece884df284 [0,2,0,0,0,0|1,0,1]=4 5591 B9R0.46 C/C=C\CNCC(O)CC a702280f2b3ef11e5063cadd15719d1b [0,2,0,0,0,0|1,0,1]=4 5592 B9R0.46 C/C=C\CNC[C@@H](C)CC e0a6cd00a45aea3f165fcd938d60d053 [0,2,0,0,0,0|1,0,1]=4 5593 B9R0.46 C/C=C\CNC[C@H](O)CC 517cfaef023a07fd5d6b7b453b95e181 [0,2,0,0,0,0|1,0,1]=4 5594 B9R0.46 C/C=C\COCC(C)CC a58cfc486dfb3a551da7b3d40002a94b [0,2,0,0,0,0|1,0,1]=4 5595 B9R0.46 C/C=C\COC[C@@H](C)CC 8863250b2c78da53321182b09112c661 [0,2,0,0,0,0|1,0,1]=4 5596 B9R0.46 C/C=C\COC[C@H](C)CC 8e175f6840b70f1066338d3f6915135f [0,2,0,0,0,0|1,0,1]=4 5597 B9R0.46 C=C(C#N)CNCCCC 7302d4651e82c6dda3e6a016dc2fdb5d [0,2,0,0,0,0|2,0,0]=4 5598 B9R0.46 C=C(C#N)COCCCC aa8eb4592546684a2d3a5ab4cd252b4a [0,2,0,0,0,0|2,0,0]=4 5599 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [0,2,0,0,0,0|0,0,1]=3 5600 B9R0.46 C=C(C=O)OCCCCF 8d400df337a58e1ceb6bd7f7af37aef7 [0,2,0,0,0,0|1,0,1]=4 5601 B9R0.46 C=C(C=O)OCCCOC a7e10a6b7893363a34f234fe99f6d0a8 [0,2,0,0,0,0|1,0,1]=4 5602 B9R0.46 C=C(C=O)OCCCSC 234b14463c3e346d12feb8fafbbb4546 [0,2,0,0,0,0|1,0,1]=4 5603 B9R0.46 C=C(C=O)OCCOCC 06963c60068c2ced5ea76633006ea325 [0,2,0,0,0,0|1,0,1]=4 5604 B9R0.46 C=C(C=O)OCCSCC 96f672738e2630286ff8bb377631ed54 [0,2,0,0,0,0|1,0,1]=4 5605 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [0,2,0,0,0,0|2,0,0]=4 5606 B9R0.46 C=C(CC)COCCC=O 296af6eef6b4a65342a27e1ab77a8137 [0,2,0,0,0,0|0,0,1]=3 5607 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [0,2,0,0,0,0|2,0,0]=4 5608 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [0,2,0,0,0,0|1,0,1]=4 5609 B9R0.46 C=C(CO)CNCCCC 95db4a3fcbcacbb56c0b0802e017bef0 [0,2,0,0,0,0|1,0,1]=4 5610 B9R0.46 C=C(COCCC=O)OC a9ca27bd1460711d72a43aeb87dae1a3 [0,2,0,0,0,0|1,0,1]=4 5611 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [0,2,0,0,0,0|1,0,1]=4 5612 B9R0.46 C=C=CCCOC(C)CC c3169cb40e0cdfe11445bb966ccce2c8 [0,2,0,0,0,0|2,0,0]=4 5613 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [0,2,0,0,0,0|1,0,0]=3 5614 B9R0.46 C=CC(=O)NCCCCCl 037fbe1d4b2f181463bbb289db3ca074 [0,2,0,0,0,0|2,0,0]=4 5615 B9R0.46 C=CC(=O)NCCCCO ca93ef7e5445c9fdf6ec709699f55973 [0,2,0,0,0,0|2,0,0]=4 5616 B9R0.46 C=CC(=O)NCCCCS 92deec0ca07db651598afe9c510332d4 [0,2,0,0,0,0|2,0,0]=4 5617 B9R0.46 C=CC(=O)NCCCOC 8b1f992198a1c4b96b17b7923d7e394a [0,2,0,0,0,0|2,0,0]=4 5618 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [0,2,0,0,0,0|2,0,0]=4 5619 B9R0.46 C=CC(=O)NCCNCC efb87fcfc433bd5d917a12277ea2ff69 [0,2,0,0,0,0|2,0,0]=4 5620 B9R0.46 C=CC(=O)NCCOCC 31ad53c610530c8fb6f02d759d193915 [0,2,0,0,0,0|2,0,0]=4 5621 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [0,2,0,0,0,0|2,0,0]=4 5622 B9R0.46 C=CC(=O)NCOCCC 53f7efb31eae4af464fa455eda13bdab [0,2,0,0,0,0|2,0,0]=4 5623 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [0,2,0,0,0,0|2,0,0]=4 5624 B9R0.46 C=CC(C)COCCC=O d326f0fa7437fbc0a1c298c153fbde83 [0,2,0,0,0,0|1,0,0]=3 5625 B9R0.46 C=CC(C)COCCCC 608053865d7cfd6e5d03832e4e889079 [0,2,0,0,0,0|1,0,0]=3 5626 B9R0.46 C=CC(C)COCCCF 4aab6ffaea4570d342b849d562957bc0 [0,2,0,0,0,0|2,0,0]=4 5627 B9R0.46 C=CC(C)COCCCS d31ac78b0608269a13137249bda6321a [0,2,0,0,0,0|2,0,0]=4 5628 B9R0.46 C=CC(C)COCCOC fccc4d8fbeebf1b28ffcdcc7509c708c [0,2,0,0,0,0|2,0,0]=4 5629 B9R0.46 C=CC(C)COCCSC 99ab113b54b9cb1afcfef225d5c61a10 [0,2,0,0,0,0|2,0,0]=4 5630 B9R0.46 C=CC(C)COCOCC 7c2a728753e17ddc90e8dd0cae1ca87f [0,2,0,0,0,0|2,0,0]=4 5631 B9R0.46 C=CC(C)NCCCC=O e5d4027ef9d2300a7ed5efa7d96256a7 [0,2,0,0,0,0|1,0,0]=3 5632 B9R0.46 C=CC(C)NCCCCC e4ef36d1ca81148e5be66a55d1064b7e [0,2,0,0,0,0|1,0,0]=3 5633 B9R0.46 C=CC(C)NCCCCCl f8ef6a10c33417106c6bf25f1dc2b190 [0,2,0,0,0,0|2,0,0]=4 5634 B9R0.46 C=CC(C)NCCCCF fd382de428b8198f301d19d2e6e59127 [0,2,0,0,0,0|2,0,0]=4 5635 B9R0.46 C=CC(C)NCCCCO 4b58e19f068eedec9797ff448a136342 [0,2,0,0,0,0|2,0,0]=4 5636 B9R0.46 C=CC(C)NCCCCS 48e129566518db5c614e274c3a51efb1 [0,2,0,0,0,0|2,0,0]=4 5637 B9R0.46 C=CC(C)NCCCOC d80248ff8c9c0be2ac4cb457695ce857 [0,2,0,0,0,0|2,0,0]=4 5638 B9R0.46 C=CC(C)NCCCSC 3f0fe09a38e853fc002bbfa3ce27364c [0,2,0,0,0,0|2,0,0]=4 5639 B9R0.46 C=CC(C)NCCOCC 705c0d82e23fe8d9e418644176dc5b8c [0,2,0,0,0,0|2,0,0]=4 5640 B9R0.46 C=CC(C)NCCSCC 5659a32cf374c6f9204ec08462faae03 [0,2,0,0,0,0|2,0,0]=4 5641 B9R0.46 C=CC(C)OCCCC=O e3fac3a438be00548cf06e77a9a3cc0f [0,2,0,0,0,0|1,0,0]=3 5642 B9R0.46 C=CC(C)OCCCCC 1e28f1d3c351070f3d11fb5c824849ee [0,2,0,0,0,0|1,0,0]=3 5643 B9R0.46 C=CC(C)OCCCCF 831a7637a9ac2a8eef16a41d14bdec08 [0,2,0,0,0,0|2,0,0]=4 5644 B9R0.46 C=CC(C)OCCCCS 6744c9a4d971ae4c28d178f1c4c4388d [0,2,0,0,0,0|2,0,0]=4 5645 B9R0.46 C=CC(C)OCCCOC ecd19d6847611bb5b922c8b1a0b72e45 [0,2,0,0,0,0|2,0,0]=4 5646 B9R0.46 C=CC(C)OCCCSC 34e0dff602ea77f7e7097a0d00d2243a [0,2,0,0,0,0|2,0,0]=4 5647 B9R0.46 C=CC(C)OCCNC=O d1ff6a17ee34edfbf55cd95f198b36d2 [0,2,0,0,0,0|2,0,0]=4 5648 B9R0.46 C=CC(C)OCCOC=O 11455df079d59d5d85132299320af11d [0,2,0,0,0,0|2,0,0]=4 5649 B9R0.46 C=CC(C)OCCOCC 803cc5dec1659697a4f3f679ec2def68 [0,2,0,0,0,0|2,0,0]=4 5650 B9R0.46 C=CC(C)OCCSCC b48657873cc1178342989d92c9191ab8 [0,2,0,0,0,0|2,0,0]=4 5651 B9R0.46 C=CC(O)CNCCC=O 1ed01f45a8251d038587c0a490c4f721 [0,2,0,0,0,0|0,0,2]=4 5652 B9R0.46 C=CC(O)CNCCCC 62bcdd9c10c55126c8e92a97a0820f32 [0,2,0,0,0,0|1,0,0]=3 5653 B9R0.46 C=CC(O)CNCCCF f2f3375fd11a6d38489f7763a9380847 [0,2,0,0,0,0|2,0,0]=4 5654 B9R0.46 C=CC(O)CNCCCO 654c6bf32dd2f01e3597f7e292ad60d3 [0,2,0,0,0,0|2,0,0]=4 5655 B9R0.46 C=CC(O)CNCCCS dc50719dae8f393055d9c046b8925a0b [0,2,0,0,0,0|2,0,0]=4 5656 B9R0.46 C=CC(O)CNCCOC 3132bbe8eeb28193e25821494e5edcc7 [0,2,0,0,0,0|2,0,0]=4 5657 B9R0.46 C=CC(O)CNCCSC 2c79e07a24fb1b114b870dfbcf4fd86e [0,2,0,0,0,0|2,0,0]=4 5658 B9R0.46 C=CC(O)CNCOCC 0468afb911e8c070583eabdf9dfc1cf1 [0,2,0,0,0,0|2,0,0]=4 5659 B9R0.46 C=CCCCCN(C)C=O fb88825adf426b3afaffcb86eef7196b [0,2,0,0,0,0|0,0,2]=4 5660 B9R0.46 C=CCCCCN(C)CC bb712c250fc17a78671543e773bd3068 [0,2,0,0,0,0|1,0,0]=3 5661 B9R0.46 C=CCCCCN(C)CF 5462a112a6fda45e74665b224e238679 [0,2,0,0,0,0|2,0,0]=4 5662 B9R0.46 C=CCCCCN(C)CO 7fe6687281a3ba2cdaa9533eeda1a2db [0,2,0,0,0,0|2,0,0]=4 5663 B9R0.46 C=CCCCNC(=O)CC 892a3eaa46528c34d33fea9f5a3dcf16 [0,2,0,0,0,0|1,0,1]=4 5664 B9R0.46 C=CCCCNC(C)C#N 6bbd707b2d8a68f769026a0b43dbcf60 [0,2,0,0,0,0|2,0,0]=4 5665 B9R0.46 C=CCCCNC(C)C=C 2780bc8170097192e184e61955dbd757 [0,2,0,0,0,0|2,0,0]=4 5666 B9R0.46 C=CCCCNC(C)C=O 59c0c92674c55399647b0ed64c79283b [0,2,0,0,0,0|0,0,2]=4 5667 B9R0.46 C=CCCCNC(C)CC 42223dd5e5b64b64060777e9f4c40150 [0,2,0,0,0,0|1,0,0]=3 5668 B9R0.46 C=CCCCNC(C)CO 51295b5a9fc007bfa79d27e465ec8e8b [0,2,0,0,0,0|2,0,0]=4 5669 B9R0.46 C=CCCCN[C@@H](C)CC 037d7be40daaf3cc92d2fab932bedffd [0,2,0,0,0,0|1,0,0]=3 5670 B9R0.46 C=CCCCN[C@@H](C)CO 1c752b828bac740deb5ba11cdb15d341 [0,2,0,0,0,0|2,0,0]=4 5671 B9R0.46 C=CCCCN[C@H](C)C=O 2828f177481a652fa86431be78bfb98a [0,2,0,0,0,0|0,0,2]=4 5672 B9R0.46 C=CCCCN[C@H](C)CC 70c683919fdfa0aede8ebad77b6f9d53 [0,2,0,0,0,0|1,0,0]=3 5673 B9R0.46 C=CCCCN[C@H](C)CO 2392c16b8e3cedcc74db0098f5b1e9fb [0,2,0,0,0,0|2,0,0]=4 5674 B9R0.46 C=CCCCOC(C)C#N fe1214a8fc8b4889ae0d41be73c97593 [0,2,0,0,0,0|2,0,0]=4 5675 B9R0.46 C=CCCCOC(C)C=C 1c31366b8e42b740a1c50bebae1885de [0,2,0,0,0,0|2,0,0]=4 5676 B9R0.46 C=CCCCOC(C)C=O 0d3b57c48d11263bb29fbe3d1711e4f6 [0,2,0,0,0,0|0,0,2]=4 5677 B9R0.46 C=CCCCOC(C)CC 37e8ea4b03808467d80b9e9cd385bea1 [0,2,0,0,0,0|1,0,0]=3 5678 B9R0.46 C=CCCCOC(C)CF 0d47896293712c80b3f00cf6951a2b22 [0,2,0,0,0,0|2,0,0]=4 5679 B9R0.46 C=CCCCOC(C)CS 82fe378345178d4b1b590dc24d34887f [0,2,0,0,0,0|2,0,0]=4 5680 B9R0.46 C=CCCCO[C@@H](C)C=C bc2d9cce416710af0ec2a6a34d6c4be9 [0,2,0,0,0,0|2,0,0]=4 5681 B9R0.46 C=CCCCO[C@@H](C)CC abbd602e7f93f4b12023e906c8ad0004 [0,2,0,0,0,0|1,0,0]=3 5682 B9R0.46 C=CCCCO[C@H](C)C=O 9bcfd1d4d3f44a169a8584e77cafa925 [0,2,0,0,0,0|0,0,2]=4 5683 B9R0.46 C=CCCCO[C@H](C)CC 007e4760c2d7a5023e666e085fdc2f12 [0,2,0,0,0,0|1,0,0]=3 5684 B9R0.46 C=CCCCO[C@H](C)CS 7950eaf4ad7ba41e176d7ecb1410a526 [0,2,0,0,0,0|2,0,0]=4 5685 B9R0.46 C=CCCNCC(=C)CC 703afa1dc48e23c2289ed0929df7471e [0,2,0,0,0,0|1,0,1]=4 5686 B9R0.46 C=CCCNCC(=O)CC c68fbb3930ad5b035bc1d80d52096ccd [0,2,0,0,0,0|1,0,1]=4 5687 B9R0.46 C=CCCNCC(Br)CBr c0cbe0912c6896c126778cb3b9e90a7c [0,2,0,0,0,0|2,0,0]=4 5688 B9R0.46 C=CCCNCC(C)C#N a450a7c06cff3b4ca188c45f9e56b8d3 [0,2,0,0,0,0|2,0,0]=4 5689 B9R0.46 C=CCCNCC(C)CC 774510d6074bd83d1ab4d24c1d18de64 [0,2,0,0,0,0|1,0,0]=3 5690 B9R0.46 C=CCCNCC(C)CO 59a0f10eb539571d7d92e3ba78849620 [0,2,0,0,0,0|2,0,0]=4 5691 B9R0.46 C=CCCNCC(C)OC 313220cbaaac8e2c39e40ea76f0aa188 [0,2,0,0,0,0|2,0,0]=4 5692 B9R0.46 C=CCCNCC(F)CO f384944ad27d14fd0e6505f1fef81bb6 [0,2,0,0,0,0|2,0,0]=4 5693 B9R0.46 C=CCCNCC(O)CC a8bf7ce1c29a7e91f0f39f3b2bf163a6 [0,2,0,0,0,0|1,0,0]=3 5694 B9R0.46 C=CCCNCC(O)CF 99d21c934909d3b04d7b76fc0473ba9a [0,2,0,0,0,0|2,0,0]=4 5695 B9R0.46 C=CCCNCC(O)CO 3de528e16a6dd098cc1bb8022a6cc2b3 [0,2,0,0,0,0|2,0,0]=4 5696 B9R0.46 C=CCCNC[C@@H](C)CC bdbe0fbc3e03bb79c9c72d2fb0f5b833 [0,2,0,0,0,0|1,0,0]=3 5697 B9R0.46 C=CCCNC[C@@H](C)CO 65bc39c669943493c2052a19d1598889 [0,2,0,0,0,0|2,0,0]=4 5698 B9R0.46 C=CCCNC[C@@H](C)OC 93e9b558e039d8eddaeffcddd20c011e [0,2,0,0,0,0|2,0,0]=4 5699 B9R0.46 C=CCCNC[C@@H](F)CO 1be66881a028fd8da91b06959d6ce24d [0,2,0,0,0,0|2,0,0]=4 5700 B9R0.46 C=CCCNC[C@@H](O)CO 6a6921457f137e161d35718f5d3a976a [0,2,0,0,0,0|2,0,0]=4 5701 B9R0.46 C=CCCNC[C@H](C)CC f60acee3cd0923166034d018db3ac193 [0,2,0,0,0,0|1,0,0]=3 5702 B9R0.46 C=CCCNC[C@H](C)CO 6a8b4731e833d394fd1c70ac543f4fc9 [0,2,0,0,0,0|2,0,0]=4 5703 B9R0.46 C=CCCNC[C@H](C)OC cb1626c4091f7c4878293db1b81c3daa [0,2,0,0,0,0|2,0,0]=4 5704 B9R0.46 C=CCCNC[C@H](F)CO 571a6b3c833ee50bff15eafb8dead200 [0,2,0,0,0,0|2,0,0]=4 5705 B9R0.46 C=CCCNC[C@H](O)CC a7cbf1ad9da3bae9b3ca12c4c9671d26 [0,2,0,0,0,0|1,0,0]=3 5706 B9R0.46 C=CCCNC[C@H](O)CO f6773d4c0aa7da57606a4b8b9f0482bb [0,2,0,0,0,0|2,0,0]=4 5707 B9R0.46 C=CCCOCC(=C)CC 1adb82f23c591e6fa60c0b0016d60c2a [0,2,0,0,0,0|1,0,1]=4 5708 B9R0.46 C=CCCOCC(=O)CC ba2b6b00a57ae78738067c10e2a29701 [0,2,0,0,0,0|1,0,1]=4 5709 B9R0.46 C=CCCOCC(Br)CBr 7eb7237425f92a220d80dc462157765c [0,2,0,0,0,0|2,0,0]=4 5710 B9R0.46 C=CCCOCC(C)C#N fc2961f4074de2f5a15a89cec017f214 [0,2,0,0,0,0|2,0,0]=4 5711 B9R0.46 C=CCCOCC(C)C=C 028b3545fff814921bb6bb4104daba32 [0,2,0,0,0,0|2,0,0]=4 5712 B9R0.46 C=CCCOCC(C)CC 728ba19dbb1d3147b7b292d82ccd3920 [0,2,0,0,0,0|1,0,0]=3 5713 B9R0.46 C=CCCOCC(C)OC 6bc88718f753e91b653e1d2e53d1bfda [0,2,0,0,0,0|2,0,0]=4 5714 B9R0.46 C=CCCOCC(Cl)CCl 8dcdb105b447f0102716a720d49216c7 [0,2,0,0,0,0|2,0,0]=4 5715 B9R0.46 C=CCCOCC(O)CO 8204739759beac8622d0d9448f1526e8 [0,2,0,0,0,0|2,0,0]=4 5716 B9R0.46 C=CCCOCC(S)CS 2e9361e06c117d0c38f16091645a0d75 [0,2,0,0,0,0|2,0,0]=4 5717 B9R0.46 C=CCCOC[C@@H](C)CC 5e502b4f62f3acf0ba191253c86c3c22 [0,2,0,0,0,0|1,0,0]=3 5718 B9R0.46 C=CCCOC[C@@H](C)OC 269bed4af0ba253b5b1cdb3c6384a32c [0,2,0,0,0,0|2,0,0]=4 5719 B9R0.46 C=CCCOC[C@@H](O)CO 8dcbdfc30edf48001c0dbf53ae3cbfb6 [0,2,0,0,0,0|2,0,0]=4 5720 B9R0.46 C=CCCOC[C@H](C)CC 0fa4e329561f6df162ea8c2a70c22a75 [0,2,0,0,0,0|1,0,0]=3 5721 B9R0.46 C=CCCOC[C@H](C)OC 24c0b48792b33633a1719e6b5607e43b [0,2,0,0,0,0|2,0,0]=4 5722 B9R0.46 C=CCCOC[C@H](O)CO 8f1e6eb83ec0e72ef9e4bc7503f0e44a [0,2,0,0,0,0|2,0,0]=4 5723 B9R0.46 C=CCNCCC(C)CC b228c852ce6d3939ccc4101ea5c92dfd [0,2,0,0,0,0|1,0,0]=3 5724 B9R0.46 C=CCNCCC(C)CO 4c7e24b6e21ede9417d446f5e7e56797 [0,2,0,0,0,0|2,0,0]=4 5725 B9R0.46 C=CCNCCC(O)CO 247c413146267467d62da9c163ee43c3 [0,2,0,0,0,0|2,0,0]=4 5726 B9R0.46 C=CCNCC[C@@H](C)CO 5ef62e2aa423d31cf74861f1118c5888 [0,2,0,0,0,0|2,0,0]=4 5727 B9R0.46 C=CCOCCC(C)CC 5e8e7402f2d49a682e79b096ff9fa744 [0,2,0,0,0,0|1,0,0]=3 5728 B9R0.46 C=CCOCCC(C)OC 17ccd11502650aa1e18fb6f1b1117c16 [0,2,0,0,0,0|2,0,0]=4 5729 B9R0.46 C=CCOCCC(S)CC 3aaf6c4216be2cdc4f1bfe59ac8192de [0,2,0,0,0,0|1,0,0]=3 5730 B9R0.46 C=CCOCCN(C)CC 4772de34b82bee4d3162335bafcae8ba [0,2,0,0,0,0|2,0,0]=4 5731 B9R0.46 C=CCOCC[C@@H](C)CC b8130feedf60b4d66e54966082720777 [0,2,0,0,0,0|1,0,0]=3 5732 B9R0.46 C=COCCNC(C)CC 96268375baa943486c5bcb44f6e7b72c [0,2,0,0,0,0|2,0,0]=4 5733 B9R0.46 C=COCCOC(C)CC 2985a6aa5e711a9babef791b93b4a616 [0,2,0,0,0,0|2,0,0]=4 5734 B9R0.46 C=C[C@H](C)OCCCC=O 7cce1b7c183177af9aa0a9f34aff0343 [0,2,0,0,0,0|1,0,0]=3 5735 B9R0.46 C=C[C@H](C)OCCCCC d1676930d2cd78672945fe179ff4da42 [0,2,0,0,0,0|1,0,0]=3 5736 B9R0.46 C=C[C@H](C)OCCCCF fbc99a9a32269eef1bd04ea9970dd449 [0,2,0,0,0,0|2,0,0]=4 5737 B9R0.46 C=C[C@H](C)OCCCOC 5d7b9c6dc5415bccf25660fe187912b2 [0,2,0,0,0,0|2,0,0]=4 5738 B9R0.46 C=C[C@H](C)OCCCSC d28beb0c5346fa035f5b3271a8f16573 [0,2,0,0,0,0|2,0,0]=4 5739 B9R0.46 C=C[C@H](C)OCCOCC adfac0360c62b67882d03683c422af6b [0,2,0,0,0,0|2,0,0]=4 5740 B9R0.46 C=C[C@H](C)OCCSCC 5081e180462a4353644ccae5db612617 [0,2,0,0,0,0|2,0,0]=4 5741 B9R0.46 CC#CCCOC(C)C=O b499a2844f6cb9634f2307ebbece227d [0,2,0,0,0,0|0,0,2]=4 5742 B9R0.46 CC#CCCO[C@H](C)C=O 3103700dedfbc6a022a2ad611cf9aef4 [0,2,0,0,0,0|0,0,2]=4 5743 B9R0.46 CC(=CI)COCCC=O 729189713f2a7d2286b6291afdc6178f [0,2,0,0,0,0|1,0,1]=4 5744 B9R0.46 CC(C#N)CNCCC=O 70102e6cba48d9c9c370ce1bf50c4389 [0,2,0,0,0,0|1,0,0]=3 5745 B9R0.46 CC(C#N)COCCC=O 51378ed26f15e9f343b3423172a16322 [0,2,0,0,0,0|1,0,0]=3 5746 B9R0.46 CC(C#N)NCCCC=O a006f9389b4af42410e529df61d84e05 [0,2,0,0,0,0|1,0,0]=3 5747 B9R0.46 CC(C#N)OCCCC=O 2a5ee4c2c4dbef4ba2e6ddd091e392a6 [0,2,0,0,0,0|1,0,0]=3 5748 B9R0.46 CC(C#N)OCCNC=O 2a347ef26c96133fcf587588484fe01c [0,2,0,0,0,0|2,0,0]=4 5749 B9R0.46 CC(C#N)OCCOC=O 28080d1ebdd53f7fe29cac082c5301ff [0,2,0,0,0,0|2,0,0]=4 5750 B9R0.46 CC(C=O)NCCCC#N 4500e8f150e09c56e6829add45f1688c [0,2,0,0,0,0|1,0,1]=4 5751 B9R0.46 CC(C=O)NCCCCCl 578f8df0cf2c2ec3a9947a8bdfdd4c9a [0,2,0,0,0,0|1,0,0]=3 5752 B9R0.46 CC(C=O)NCCCCO 058005ffd19202b24a3052385e7ba593 [0,2,0,0,0,0|1,0,0]=3 5753 B9R0.46 CC(C=O)NCCCCS 7d52d0d2462682eef85c367a61b7f060 [0,2,0,0,0,0|1,0,0]=3 5754 B9R0.46 CC(C=O)OCCCC#N 82cebbdf9b73111ca4aa4ed43d44bada [0,2,0,0,0,0|1,0,1]=4 5755 B9R0.46 CC(C=O)OCCCC=O d633d3435ea5f9bb7489126b53fd169c [0,2,0,0,0,0|1,0,0]=3 5756 B9R0.46 CC(C=O)OCCCCF b779475fea9936c9a40116733fadd837 [0,2,0,0,0,0|1,0,0]=3 5757 B9R0.46 CC(C=O)OCCCCS ee511cea976ef5b499265a61524eedbd [0,2,0,0,0,0|1,0,0]=3 5758 B9R0.46 CC(C=O)OCCNC=O 570d1e225a9c105bc7c6d9c9bd504a1e [0,2,0,0,0,0|2,0,0]=4 5759 B9R0.46 CC(C=O)OCCOC=O df0f8585c5aaf5ac01759a30e8bf9781 [0,2,0,0,0,0|2,0,0]=4 5760 B9R0.46 CC(CF)OCCCC=O 62afa987f228ca725705744b4bb44d2e [0,2,0,0,0,0|1,0,0]=3 5761 B9R0.46 CC(CO)CCCNC=O 2da4c407608a3357ec193b0031a8c7cf [0,2,0,0,0,0|1,0,0]=3 5762 B9R0.46 CC(CO)CCNCC=O f81509e853ced68a1db26871973b826a [0,2,0,0,0,0|1,0,0]=3 5763 B9R0.46 CC(CO)CNCCC=O 85b41041e2d8fa633e0ab0a6be7a3fa0 [0,2,0,0,0,0|1,0,0]=3 5764 B9R0.46 CC(CO)NCCCC=O 2ff549803205bf2e5767b6eb5ecad836 [0,2,0,0,0,0|1,0,0]=3 5765 B9R0.46 CC(CS)OCCCC=O 6cc5334f315ad6dccb161036aee6dfb0 [0,2,0,0,0,0|1,0,0]=3 5766 B9R0.46 CC/C=C/COC(C)C=O ca92496dc1fa4f410a644b0413bf3a1c [0,2,0,0,0,0|0,0,2]=4 5767 B9R0.46 CC/C=C/CO[C@H](C)C=O c90962d297d8808721cbe6d6318b301e [0,2,0,0,0,0|0,0,2]=4 5768 B9R0.46 CC/C=C\COC(C)C=O 02507ce520787a4f980b1d299ada3fc3 [0,2,0,0,0,0|0,0,2]=4 5769 B9R0.46 CC/C=C\CO[C@H](C)C=O 131ae77ee2af216b761390f314f76593 [0,2,0,0,0,0|0,0,2]=4 5770 B9R0.46 CC=CCNCC(C)CC 9c87500612fca06154d933df788b065a [0,2,0,0,0,0|1,0,1]=4 5771 B9R0.46 CC=CCNCC(O)CC 3513fefb41db3ad3d01c2987367a57c9 [0,2,0,0,0,0|1,0,1]=4 5772 B9R0.46 CC=CCNC[C@@H](C)CC 3275d6e4b404b0a81074ef2124415f1f [0,2,0,0,0,0|1,0,1]=4 5773 B9R0.46 CC=CCNC[C@H](C)CC 4266c0f3d7696418f2a6d10d8367386b [0,2,0,0,0,0|1,0,1]=4 5774 B9R0.46 CC=CCOCC(C)CC 54a8e7b67155f645d507d976db8ce0d7 [0,2,0,0,0,0|1,0,1]=4 5775 B9R0.46 CC=CCOC[C@@H](C)CC 1b785dc16224333719989c0003bbb241 [0,2,0,0,0,0|1,0,1]=4 5776 B9R0.46 CC=CCOC[C@H](C)CC 07d92da8bda03e61cbfea2e10c746589 [0,2,0,0,0,0|1,0,1]=4 5777 B9R0.46 CCC#CCOC(C)C=O 71cc10d16584ffa71ac291c3fc9c8779 [0,2,0,0,0,0|0,0,2]=4 5778 B9R0.46 CCC#CCO[C@H](C)C=O bbbabf0f965648162ee28ddb010e087f [0,2,0,0,0,0|0,0,2]=4 5779 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [0,2,0,0,0,0|2,0,0]=4 5780 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [0,2,0,0,0,0|2,0,0]=4 5781 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [0,2,0,0,0,0|2,0,0]=4 5782 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [0,2,0,0,0,0|2,0,0]=4 5783 B9R0.46 CCC(=O)COCCC=O caea3de9902aa906e712e11f093daab0 [0,2,0,0,0,0|0,0,1]=3 5784 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [0,2,0,0,0,0|2,0,0]=4 5785 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [0,2,0,0,0,0|2,0,0]=4 5786 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [0,2,0,0,0,0|2,0,0]=4 5787 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [0,2,0,0,0,0|2,0,0]=4 5788 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [0,2,0,0,0,0|2,0,0]=4 5789 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [0,2,0,0,0,0|2,0,0]=4 5790 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [0,2,0,0,0,0|2,0,0]=4 5791 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [0,2,0,0,0,0|2,0,0]=4 5792 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [0,2,0,0,0,0|2,0,0]=4 5793 B9R0.46 CCC(=O)NCCNC=O 33e956f0b7146b08b342bbb7507510ba [0,2,0,0,0,0|1,0,1]=4 5794 B9R0.46 CCC(C)CCCOCF 25eeed0d978fad0afbb1541ecdc0db9d [0,2,0,0,0,0|1,0,1]=4 5795 B9R0.46 CCC(C)CCNCC#N dbe09ba2c00d04b9c80af85e4c0dc9f1 [0,2,0,0,0,0|1,0,1]=4 5796 B9R0.46 CCC(C)CCNCC=O a6e7e31b7174e33afbb2e49091f71799 [0,2,0,0,0,0|0,0,0]=2 5797 B9R0.46 CCC(C)CCNCCBr 3fa0289513dc830a578a5c76efee3816 [0,2,0,0,0,0|1,0,1]=4 5798 B9R0.46 CCC(C)CCNCCF 44bc075a9ced98bf1dc392bb11ba0c64 [0,2,0,0,0,0|1,0,1]=4 5799 B9R0.46 CCC(C)CCNCCI 36139ded0ec420d40865372a22a68637 [0,2,0,0,0,0|1,0,1]=4 5800 B9R0.46 CCC(C)CCNCCO a127043b6f5458f1c87d32ad0b8a32cb [0,2,0,0,0,0|0,0,2]=4 5801 B9R0.46 CCC(C)CCNCCS 3b8a0afebe56ab4073247bdfd34e70f3 [0,2,0,0,0,0|0,1,1]=4 5802 B9R0.46 CCC(C)CCNCOC 43e02a9a9b15d85ced7cf9a326f5c031 [0,2,0,0,0,0|2,0,0]=4 5803 B9R0.46 CCC(C)CCNCSC 74dfafc450b7b3f02df11224414d08c1 [0,2,0,0,0,0|2,0,0]=4 5804 B9R0.46 CCC(C)CCOCC#N d553906db90f9da7cb82ead3047dc770 [0,2,0,0,0,0|1,0,1]=4 5805 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [0,2,0,0,0,0|0,0,0]=2 5806 B9R0.46 CCC(C)CCOCCF bb91250b47983ac5c8faeb4bd1f1e3ef [0,2,0,0,0,0|1,0,1]=4 5807 B9R0.46 CCC(C)CCOCCS 256a4c6982ce1ecb5b64bea232e14074 [0,2,0,0,0,0|0,1,1]=4 5808 B9R0.46 CCC(C)CCOCOC aa6a8b2b97604e0740ffe50db913a9e2 [0,2,0,0,0,0|2,0,0]=4 5809 B9R0.46 CCC(C)CCOCSC 8520390c6afd5d53750aef79b528fdc9 [0,2,0,0,0,0|2,0,0]=4 5810 B9R0.46 CCC(C)CNC/C=C/Cl 7411d8efc8a91e3ab1e81c205635b2b1 [0,2,0,0,0,0|1,0,1]=4 5811 B9R0.46 CCC(C)CNC/C=C\Cl 254cfb8456ce7a92df64b73075a21c90 [0,2,0,0,0,0|1,0,1]=4 5812 B9R0.46 CCC(C)CNC/C=C\O 90bd54a66986bb6bce0703b366636de2 [0,2,0,0,0,0|0,0,2]=4 5813 B9R0.46 CCC(C)CNCCC#N 68cf216e435a00b9080dcca9886aec8e [0,2,0,0,0,0|1,0,1]=4 5814 B9R0.46 CCC(C)CNCCC=O d1c23829c335ff019dcbfacafd5d0460 [0,2,0,0,0,0|0,0,0]=2 5815 B9R0.46 CCC(C)CNCCCCl 75425990ec0e8b22be6b3b605e8d04f4 [0,2,0,0,0,0|1,0,1]=4 5816 B9R0.46 CCC(C)CNCCCF 8906761c09fde8795be6ded9394960a0 [0,2,0,0,0,0|1,0,1]=4 5817 B9R0.46 CCC(C)CNCCCO b7f672fe5bfa18562ef1c8fe33c0250f [0,2,0,0,0,0|0,0,2]=4 5818 B9R0.46 CCC(C)CNCCCS 482b68027bb30f5b45d9f9e263a95a89 [0,2,0,0,0,0|0,1,1]=4 5819 B9R0.46 CCC(C)CNCCOC 478070c966f6ca0fa6a330d9497f1aea [0,2,0,0,0,0|2,0,0]=4 5820 B9R0.46 CCC(C)CNCCON 0c67052ae4762a1688f241865b875c37 [0,2,0,0,0,0|2,0,0]=4 5821 B9R0.46 CCC(C)CNCCSC 8df4c8f9b88bfde3efdc9fcd6007e2ec [0,2,0,0,0,0|2,0,0]=4 5822 B9R0.46 CCC(C)COC/C=C/Cl c8af0cde193c02b5733c96b48e410610 [0,2,0,0,0,0|1,0,1]=4 5823 B9R0.46 CCC(C)COC/C=C\Cl 268b995fc8a60c05e16ff8fea78fe780 [0,2,0,0,0,0|1,0,1]=4 5824 B9R0.46 CCC(C)COCC=CCl 4c3117a043087954d61d1693e655a7f5 [0,2,0,0,0,0|1,0,1]=4 5825 B9R0.46 CCC(C)COCCC#N 1c2930c8b834a5d498f46a7ffe72f0ca [0,2,0,0,0,0|1,0,1]=4 5826 B9R0.46 CCC(C)COCCC=O 2d73e4df98095e84f26e8630b8c1ab90 [0,2,0,0,0,0|0,0,0]=2 5827 B9R0.46 CCC(C)COCCCF 5693fc06aa1f321e5183ecfbb48b9cf9 [0,2,0,0,0,0|1,0,1]=4 5828 B9R0.46 CCC(C)COCCCS 4fbc98c3ff3f83d254c02904cee3eb67 [0,2,0,0,0,0|0,1,1]=4 5829 B9R0.46 CCC(C)COCCOC d19cc26c89aed9265bb120353ab66312 [0,2,0,0,0,0|2,0,0]=4 5830 B9R0.46 CCC(C)COCCSC c1bd55f3604286bd60102a6081297ff9 [0,2,0,0,0,0|2,0,0]=4 5831 B9R0.46 CCC(C)NCCCC#N a3f1ab79a0d5ba703df41bbdc3008730 [0,2,0,0,0,0|1,0,1]=4 5832 B9R0.46 CCC(C)NCCCC=O ed3b198797f9907d63520eb2a7b47340 [0,2,0,0,0,0|0,0,0]=2 5833 B9R0.46 CCC(C)NCCCCCl 2cc441578749d69ed84ea91cfec37977 [0,2,0,0,0,0|1,0,1]=4 5834 B9R0.46 CCC(C)NCCCCF 82a8dd0b95c0f6f3f590ec79124b3a6a [0,2,0,0,0,0|1,0,1]=4 5835 B9R0.46 CCC(C)NCCCCO 6bd45ecd51d75108562e5caa61fe948c [0,2,0,0,0,0|0,0,2]=4 5836 B9R0.46 CCC(C)NCCCCS 4327177f2cba500184fb0fe43254c48b [0,2,0,0,0,0|0,1,1]=4 5837 B9R0.46 CCC(C)NCCCOC 171065770b4814346bd036dea3fd8b14 [0,2,0,0,0,0|2,0,0]=4 5838 B9R0.46 CCC(C)NCCCSC dc4ff370458b57fe04d9ed21704d16e4 [0,2,0,0,0,0|2,0,0]=4 5839 B9R0.46 CCC(C)OC/C=C/C=O 7471c5bfeff4720f5ec50f2bf3ea2c4e [0,2,0,0,0,0|0,0,2]=4 5840 B9R0.46 CCC(C)OCCCC#N 7a8d167927353fb5ceeac53135d4c10e [0,2,0,0,0,0|1,0,1]=4 5841 B9R0.46 CCC(C)OCCCC=O 490e4bd62c6c0bc054893d7857d462c9 [0,2,0,0,0,0|0,0,0]=2 5842 B9R0.46 CCC(C)OCCCCF fd29067324c6c4e2d213686ebe1db414 [0,2,0,0,0,0|1,0,1]=4 5843 B9R0.46 CCC(C)OCCCCS 5299718601b454bd878e8e69ddcf6483 [0,2,0,0,0,0|0,1,1]=4 5844 B9R0.46 CCC(C)OCCCOC 920d543c516b5c83ae3650a9164e07ca [0,2,0,0,0,0|2,0,0]=4 5845 B9R0.46 CCC(C)OCCCSC 58564c22142bd233df8364803ae04186 [0,2,0,0,0,0|2,0,0]=4 5846 B9R0.46 CCC(C)OCCNC=O a01a9adcadc461327c7aab245a262d96 [0,2,0,0,0,0|1,0,0]=3 5847 B9R0.46 CCC(C)OCCOC=O 186c75d581c36984caa7089474780127 [0,2,0,0,0,0|1,0,0]=3 5848 B9R0.46 CCC(O)CNC/C=C/Cl 1b746e22e3947c5f6ed7c9b0db3398ce [0,2,0,0,0,0|1,0,1]=4 5849 B9R0.46 CCC(O)CNC/C=C\Cl 3e697878a063f2d1812dcf0a273460f7 [0,2,0,0,0,0|1,0,1]=4 5850 B9R0.46 CCC(O)CNC/C=C\O 5486a19119aec4202bff499e11ea5364 [0,2,0,0,0,0|0,0,2]=4 5851 B9R0.46 CCC(O)CNCCC#N 5f05820e55653ee4a70f9b0da91c3080 [0,2,0,0,0,0|1,0,1]=4 5852 B9R0.46 CCC(O)CNCCC=O cd5859b03f179b813ebaa6940985c168 [0,2,0,0,0,0|0,0,0]=2 5853 B9R0.46 CCC(O)CNCCCCl 4a44f635f2b26fe41010249f73195f04 [0,2,0,0,0,0|1,0,1]=4 5854 B9R0.46 CCC(O)CNCCCF d23db8212a10ffee3def0f30a90dee7b [0,2,0,0,0,0|1,0,1]=4 5855 B9R0.46 CCC(O)CNCCCO 93bcd9fc899e572447921b7df9cd4341 [0,2,0,0,0,0|0,0,2]=4 5856 B9R0.46 CCC(O)CNCCCS bbd28bf27ab28c61bca4c44e2f626d1c [0,2,0,0,0,0|0,1,1]=4 5857 B9R0.46 CCC(O)CNCCOC 85b160473aaff0894fe544a8f320867a [0,2,0,0,0,0|2,0,0]=4 5858 B9R0.46 CCC(O)CNCCON aad694a2eacf857ede2b2bae210d3f5e [0,2,0,0,0,0|2,0,0]=4 5859 B9R0.46 CCC(O)CNCCSC 931a319ad0fd7de5ea016a65cae41c39 [0,2,0,0,0,0|2,0,0]=4 5860 B9R0.46 CCC(S)CCOCC#N a7321ceb38145451cbd46f24ba542d7c [0,2,0,0,0,0|1,0,1]=4 5861 B9R0.46 CCC(S)CCOCC=O ec52efc3fa4920f55eb496eb0701f7dc [0,2,0,0,0,0|0,0,0]=2 5862 B9R0.46 CCC(S)CCOCCF 9da41ee5d7d9da1c2cc585e3018b1673 [0,2,0,0,0,0|1,0,1]=4 5863 B9R0.46 CCC(S)CCOCCS 919175d3529db808b91312a5ec683f5b [0,2,0,0,0,0|0,1,1]=4 5864 B9R0.46 CCC(S)CCOCOC a81f048ffdc120d9cf827a2fdad5d20c [0,2,0,0,0,0|2,0,0]=4 5865 B9R0.46 CCC(S)CCOCSC 26442e30c1e431b0f5836f43e706414a [0,2,0,0,0,0|2,0,0]=4 5866 B9R0.46 CCCCCCN(C)C=O bb80d4044c0f59026002adf38475cf21 [0,2,0,0,0,0|0,0,0]=2 5867 B9R0.46 CCCCCCN(C)CC 8a417919e488fe1b88a927a0dc8a6acd [0,2,0,0,0,0|1,0,1]=4 5868 B9R0.46 CCCCCCN(C)CF 249d3f159bb53c49920e10418121e79c [0,2,0,0,0,0|1,0,1]=4 5869 B9R0.46 CCCCCCN(C)CO 8a5f907b8eb3248d8092765efbdfb7c6 [0,2,0,0,0,0|0,0,2]=4 5870 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [0,2,0,0,0,0|0,0,1]=3 5871 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [0,2,0,0,0,0|1,0,0]=3 5872 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [0,2,0,0,0,0|1,0,0]=3 5873 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [0,2,0,0,0,0|1,0,0]=3 5874 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [0,2,0,0,0,0|1,0,0]=3 5875 B9R0.46 CCCCCNC(C)C#N e93123536eb5e941147e28a7a67d4630 [0,2,0,0,0,0|1,0,1]=4 5876 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [0,2,0,0,0,0|0,0,0]=2 5877 B9R0.46 CCCCCNC(C)CC d4dac8fa5e124377339bde23f68436c7 [0,2,0,0,0,0|1,0,1]=4 5878 B9R0.46 CCCCCNC(C)CO 130d859b8c3ec8415f617cafd7916a21 [0,2,0,0,0,0|0,0,2]=4 5879 B9R0.46 CCCCCN[C@@H](C)CC b6b81653be3f1ec33ebabbfa6682ffa7 [0,2,0,0,0,0|1,0,1]=4 5880 B9R0.46 CCCCCN[C@@H](C)CO 20ec0daf9e04887c5212a5e8c7959dfd [0,2,0,0,0,0|0,0,2]=4 5881 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [0,2,0,0,0,0|0,0,0]=2 5882 B9R0.46 CCCCCN[C@H](C)CC 1a59220ace4fed85e800ac900c1bb57f [0,2,0,0,0,0|1,0,1]=4 5883 B9R0.46 CCCCCN[C@H](C)CO febfc95055d8ed2fb693276cce938384 [0,2,0,0,0,0|0,0,2]=4 5884 B9R0.46 CCCCCOC(C)C#N 297e5ef3da6d594c2f51900f89e87e4c [0,2,0,0,0,0|1,0,1]=4 5885 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [0,2,0,0,0,0|0,0,0]=2 5886 B9R0.46 CCCCCOC(C)CC fc1eb2247bb34f4c011b4f7d0e4c7945 [0,2,0,0,0,0|1,0,1]=4 5887 B9R0.46 CCCCCOC(C)CF 5b19438ac5bb1414fffaec033cb2861e [0,2,0,0,0,0|1,0,1]=4 5888 B9R0.46 CCCCCOC(C)CS 0134a0372d50041ffbead69c16000b00 [0,2,0,0,0,0|0,1,1]=4 5889 B9R0.46 CCCCCO[C@@H](C)CC c4a51e5bded663ac6b4a49e50238da1d [0,2,0,0,0,0|1,0,1]=4 5890 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [0,2,0,0,0,0|0,0,0]=2 5891 B9R0.46 CCCCCO[C@H](C)CC 114a1823e1afabcf8603ed51c782914a [0,2,0,0,0,0|1,0,1]=4 5892 B9R0.46 CCCCCO[C@H](C)CS d6b0512832a6a434c166a9513b4ccb30 [0,2,0,0,0,0|0,1,1]=4 5893 B9R0.46 CCCCNC/C(=C/Cl)/Cl 0d680ba256822cfdaae23913bca8ee4c [0,2,0,0,0,0|1,0,1]=4 5894 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,2,0,0,0,0|1,0,0]=3 5895 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [0,2,0,0,0,0|1,0,0]=3 5896 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [0,2,0,0,0,0|1,0,0]=3 5897 B9R0.46 CCCCNCC(=O)NO 967297a833a30ade90d2c8a822ad4789 [0,2,0,0,0,0|1,0,0]=3 5898 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [0,2,0,0,0,0|1,0,0]=3 5899 B9R0.46 CCCCNCC(Br)CBr 7501bfbad692c85a16bcee024e0821af [0,2,0,0,0,0|1,0,1]=4 5900 B9R0.46 CCCCNCC(C)C#N 2880907625db2083a4cd8f76f54f1de6 [0,2,0,0,0,0|1,0,1]=4 5901 B9R0.46 CCCCNCC(C)CC fe16d6610e1ccb6be0e04021325ee876 [0,2,0,0,0,0|1,0,1]=4 5902 B9R0.46 CCCCNCC(C)CO 6da21364419b0c7c5b26455490267f1e [0,2,0,0,0,0|0,0,2]=4 5903 B9R0.46 CCCCNCC(C)OC c5b881b4571cefb9b8cc6509498fea93 [0,2,0,0,0,0|2,0,0]=4 5904 B9R0.46 CCCCNCC(F)CO ef01462d286e8a24585409774347d156 [0,2,0,0,0,0|0,0,2]=4 5905 B9R0.46 CCCCNCC(O)CC 46cb5b31215196bed41fac14cefadf78 [0,2,0,0,0,0|1,0,1]=4 5906 B9R0.46 CCCCNCC(O)CF a25c46def5aaeed0650a4676c74b8608 [0,2,0,0,0,0|1,0,1]=4 5907 B9R0.46 CCCCNCC(O)CO ac983613601cebc54cf5c91f0789f011 [0,2,0,0,0,0|0,0,2]=4 5908 B9R0.46 CCCCNC[C@@H](C)CC 28a03a36bf9908817a39b92ae085509a [0,2,0,0,0,0|1,0,1]=4 5909 B9R0.46 CCCCNC[C@@H](C)CO eb284f538845d26c0292210363d3a9ae [0,2,0,0,0,0|0,0,2]=4 5910 B9R0.46 CCCCNC[C@@H](C)OC 66a1d2fe69a7e3386efa0608767b75fb [0,2,0,0,0,0|2,0,0]=4 5911 B9R0.46 CCCCNC[C@@H](F)CO 08389c84f685c72abadef416a081d169 [0,2,0,0,0,0|0,0,2]=4 5912 B9R0.46 CCCCNC[C@@H](O)CO c855f4138f8af3c3918926fa7f309a61 [0,2,0,0,0,0|0,0,2]=4 5913 B9R0.46 CCCCNC[C@H](C)CC 5ae2d51b55b594c4663da0a7bc1219b4 [0,2,0,0,0,0|1,0,1]=4 5914 B9R0.46 CCCCNC[C@H](C)CO a46d55579d54fa2f3df45167dc865bff [0,2,0,0,0,0|0,0,2]=4 5915 B9R0.46 CCCCNC[C@H](C)OC 5293295331574cdeed3cec082b1404a4 [0,2,0,0,0,0|2,0,0]=4 5916 B9R0.46 CCCCNC[C@H](F)CO 8825965ce4d1c5b6f67f1eed1e05bf29 [0,2,0,0,0,0|0,0,2]=4 5917 B9R0.46 CCCCNC[C@H](O)CC f734ed05f673e984a2cecc562494193f [0,2,0,0,0,0|1,0,1]=4 5918 B9R0.46 CCCCNC[C@H](O)CO 19bfe4bb7f3792b152156a3887152ef5 [0,2,0,0,0,0|0,0,2]=4 5919 B9R0.46 CCCCOC/C(=C/Cl)/Cl 1cf0ffa034e56f45def6de04f86cf1ce [0,2,0,0,0,0|1,0,1]=4 5920 B9R0.46 CCCCOC/C(=C/I)/C 134f408ad86b4fa216de6242485f53ce [0,2,0,0,0,0|1,0,1]=4 5921 B9R0.46 CCCCOCC(=CI)C 92bbc597016e9492eb2cbf4ef70e5f3e [0,2,0,0,0,0|1,0,1]=4 5922 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,2,0,0,0,0|1,0,0]=3 5923 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [0,2,0,0,0,0|1,0,0]=3 5924 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [0,2,0,0,0,0|1,0,0]=3 5925 B9R0.46 CCCCOCC(Br)CBr 47f9ee022b716b698a561875aa888071 [0,2,0,0,0,0|1,0,1]=4 5926 B9R0.46 CCCCOCC(C)C#N 06d9b36ac76424fdd3e7af8f18c29b0f [0,2,0,0,0,0|1,0,1]=4 5927 B9R0.46 CCCCOCC(C)CC 13ec2db481f75897427100192f392a55 [0,2,0,0,0,0|1,0,1]=4 5928 B9R0.46 CCCCOCC(C)OC 2ade9210dead56cd2b7c7e57c8d873e0 [0,2,0,0,0,0|2,0,0]=4 5929 B9R0.46 CCCCOCC(Cl)CCl 7ce0ebf6ab1cc141bc213cb71d46c022 [0,2,0,0,0,0|1,0,1]=4 5930 B9R0.46 CCCCOCC(O)CO 1717e932150717b75d8ad0553e2508d5 [0,2,0,0,0,0|0,0,2]=4 5931 B9R0.46 CCCCOCC(S)CS 61a90a75aa9f3f44748361e111510263 [0,2,0,0,0,0|0,1,1]=4 5932 B9R0.46 CCCCOC[C@@H](C)CC 292951184706705a2f287faa32f83807 [0,2,0,0,0,0|1,0,1]=4 5933 B9R0.46 CCCCOC[C@@H](C)OC 1674d41bc8c308e9ec2e3c7b89845743 [0,2,0,0,0,0|2,0,0]=4 5934 B9R0.46 CCCCOC[C@@H](O)CO 83f3d645ad47a54afee07c67e38801d8 [0,2,0,0,0,0|0,0,2]=4 5935 B9R0.46 CCCCOC[C@H](C)CC 0a6162ca309a331d6895567d00642c6e [0,2,0,0,0,0|1,0,1]=4 5936 B9R0.46 CCCCOC[C@H](C)OC c4be72208ecd8f9f13f80938de346997 [0,2,0,0,0,0|2,0,0]=4 5937 B9R0.46 CCCCOC[C@H](O)CO 5961558aa91f8ff37bdd6ab712320a6b [0,2,0,0,0,0|0,0,2]=4 5938 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [0,2,0,0,0,0|1,0,0]=3 5939 B9R0.46 CCCNCCC(=O)NO 87fbbffe3fecd81db10ce5cd573c8fee [0,2,0,0,0,0|1,0,0]=3 5940 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [0,2,0,0,0,0|1,0,0]=3 5941 B9R0.46 CCCNCCC(C)CC 4813008a0c1b241c6f502130c23c9788 [0,2,0,0,0,0|1,0,1]=4 5942 B9R0.46 CCCNCCC(C)CO 118cba905597f4a9d0e6d27edffe4f3f [0,2,0,0,0,0|0,0,2]=4 5943 B9R0.46 CCCNCCC(O)CO 7b15bb4f22a27a1184f0c23b9426da4d [0,2,0,0,0,0|0,0,2]=4 5944 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [0,2,0,0,0,0|2,0,0]=4 5945 B9R0.46 CCCNCC[C@@H](C)CO 9de671ae77164dcceeedf8d4084dec20 [0,2,0,0,0,0|0,0,2]=4 5946 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [0,2,0,0,0,0|2,0,0]=4 5947 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [0,2,0,0,0,0|2,0,0]=4 5948 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [0,2,0,0,0,0|1,0,0]=3 5949 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [0,2,0,0,0,0|1,0,0]=3 5950 B9R0.46 CCCOCCC(C)CC d32230cb97bcbaa35141057e4fc42013 [0,2,0,0,0,0|1,0,1]=4 5951 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [0,2,0,0,0,0|2,0,0]=4 5952 B9R0.46 CCCOCCC(S)CC 52c7b7912eb2ffdf0f6b5f6ebf04c230 [0,2,0,0,0,0|1,0,1]=4 5953 B9R0.46 CCCOCCN(C)C=O 1992e4eb6f9e42487b54ea3b9d8f7b64 [0,2,0,0,0,0|1,0,0]=3 5954 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [0,2,0,0,0,0|2,0,0]=4 5955 B9R0.46 CCCOCC[C@@H](C)CC 5c7be05a753d139dee133c45d7518c1b [0,2,0,0,0,0|1,0,1]=4 5956 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [0,2,0,0,0,0|2,0,0]=4 5957 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [0,2,0,0,0,0|2,0,0]=4 5958 B9R0.46 CCN(C)CCCCC#N fa6e06106e19d2f820783ec9f6f7102f [0,2,0,0,0,0|1,0,1]=4 5959 B9R0.46 CCN(C)CCCCC=O 74bce0e309052ddf19f81d22decddd11 [0,2,0,0,0,0|0,0,0]=2 5960 B9R0.46 CCN(C)CCCCCF 122017fcd60e618f8f7a933e646cec0d [0,2,0,0,0,0|1,0,1]=4 5961 B9R0.46 CCN(C)CCCCCO cc23bd2adbd47cdaf3363f05e9df12a8 [0,2,0,0,0,0|0,0,2]=4 5962 B9R0.46 CCN(C)CCCCOC e50312ca007da4f102260e37986049e9 [0,2,0,0,0,0|2,0,0]=4 5963 B9R0.46 CCN(C)CCCCON 9773669ed75d6ed3a5e09f2a63804113 [0,2,0,0,0,0|2,0,0]=4 5964 B9R0.46 CCN(C)CCCNC=O a00a4d07cd80f4382708c0945aa2c234 [0,2,0,0,0,0|1,0,0]=3 5965 B9R0.46 CCN(C)CCOCC=O 82ff7a29890a5c811a75777b8b83be09 [0,2,0,0,0,0|1,0,0]=3 5966 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [0,2,0,0,0,0|1,0,0]=3 5967 B9R0.46 CCNCCCC(C)CO c290f8dab7c2bada2b0324bd81530e9f [0,2,0,0,0,0|0,0,2]=4 5968 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [0,2,0,0,0,0|2,0,0]=4 5969 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [0,2,0,0,0,0|1,0,0]=3 5970 B9R0.46 CCOCCCC(C)CC 0ea2c075acda26928eb230e2cbdf0ebc [0,2,0,0,0,0|1,0,1]=4 5971 B9R0.46 CCOCCC[C@@H](C)CC d4ed2edda0b29eae54d6246c567e945f [0,2,0,0,0,0|1,0,1]=4 5972 B9R0.46 CCOCCNC(=O)C=O 966071d4cf498dd5a511ec54d32c5f46 [0,2,0,0,0,0|1,0,1]=4 5973 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [0,2,0,0,0,0|2,0,0]=4 5974 B9R0.46 CCOCCNC(=O)CF d41b8e9912d9ad97fdf97596beae9298 [0,2,0,0,0,0|2,0,0]=4 5975 B9R0.46 CCOCCNC(=O)CO d9af89bf0c14e4934e6283e7e3b7f7b7 [0,2,0,0,0,0|2,0,0]=4 5976 B9R0.46 CCOCCNC(=O)CS 7901659e876ad5469c108978c39208e8 [0,2,0,0,0,0|2,0,0]=4 5977 B9R0.46 CCOCCNC(C)C=O ac06f2b178201ef3dd4641d04af68161 [0,2,0,0,0,0|1,0,0]=3 5978 B9R0.46 CCOCCN[C@H](C)C=O f604da704a4a0aac9ac989ce73c1a879 [0,2,0,0,0,0|1,0,0]=3 5979 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [0,2,0,0,0,0|2,0,0]=4 5980 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [0,2,0,0,0,0|2,0,0]=4 5981 B9R0.46 CCOCCOC(C)C=O bfd7603acdd2ea90fa45278098ccd23c [0,2,0,0,0,0|1,0,0]=3 5982 B9R0.46 CCOCCO[C@H](C)C=O 94336986a5ea608124cb78550c83363a [0,2,0,0,0,0|1,0,0]=3 5983 B9R0.46 CCOCNCC(=O)NC f84212f98b0436e90d32d034a917c879 [0,2,0,0,0,0|2,0,0]=4 5984 B9R0.46 CCOCNCC(=O)NO 25547a165df168e935e83851ed230d1e [0,2,0,0,0,0|2,0,0]=4 5985 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [0,2,0,0,0,0|2,0,0]=4 5986 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [0,2,0,0,0,0|2,0,0]=4 5987 B9R0.46 CCOCOCC(=O)NC 8e87944406fda3ab412201f3a710feed [0,2,0,0,0,0|2,0,0]=4 5988 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [0,2,0,0,0,0|2,0,0]=4 5989 B9R0.46 CCSCCNC(=O)C=O 3415b748537b6650cc2320e075e8660e [0,2,0,0,0,0|1,0,1]=4 5990 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [0,2,0,0,0,0|2,0,0]=4 5991 B9R0.46 CCSCCNC(=O)CF c8499d1a4cca566cb8cc55934ba02083 [0,2,0,0,0,0|2,0,0]=4 5992 B9R0.46 CCSCCNC(=O)CO f1c730e3c2ce8d72f812c2ff79daa704 [0,2,0,0,0,0|2,0,0]=4 5993 B9R0.46 CCSCCNC(=O)CS dde9b25e1370875d5dcea9a592ce2f24 [0,2,0,0,0,0|2,0,0]=4 5994 B9R0.46 CCSCCNC(C)C=O 6f56a8e5c7dfa0b4daa7bb0d5811fb21 [0,2,0,0,0,0|1,0,0]=3 5995 B9R0.46 CCSCCN[C@H](C)C=O b7bc62394b42e9a1420767b1af956a3b [0,2,0,0,0,0|1,0,0]=3 5996 B9R0.46 CCSCCOC(C)C=O a41a819229db3c7394ce97008565cc09 [0,2,0,0,0,0|1,0,0]=3 5997 B9R0.46 CCSCCO[C@H](C)C=O 25594d2fa741da9eafa868d67605c8e2 [0,2,0,0,0,0|1,0,0]=3 5998 B9R0.46 CC[C@@H](C)CNCCC#N e5ab7b6e6738f9257c212ac3420d9a73 [0,2,0,0,0,0|1,0,1]=4 5999 B9R0.46 CC[C@@H](C)CNCCCCl 957ebef67d2ae861120e94809e364f44 [0,2,0,0,0,0|1,0,1]=4 6000 B9R0.46 CC[C@@H](C)CNCCCO 4c3ce44a0c3881eab07a109768c53076 [0,2,0,0,0,0|0,0,2]=4 6001 B9R0.46 CC[C@@H](C)CNCCOC 0c4d0e273d8c3cde286ea3ef40aae601 [0,2,0,0,0,0|2,0,0]=4 6002 B9R0.46 CC[C@@H](C)CNCCON cc848e8486eefc23afaaadcfb9ee6f3e [0,2,0,0,0,0|2,0,0]=4 6003 B9R0.46 CC[C@@H](C)CNCCSC 473be0b665ea98aff787f223844291a6 [0,2,0,0,0,0|2,0,0]=4 6004 B9R0.46 CC[C@@H](C)COC/C=C/Cl 22bd3cb93cda0cb40bf7171fc5d01e6f [0,2,0,0,0,0|1,0,1]=4 6005 B9R0.46 CC[C@@H](C)COC/C=C\Cl d149c0bbf57f50950cecc44bc65b79eb [0,2,0,0,0,0|1,0,1]=4 6006 B9R0.46 CC[C@@H](C)COCC=CCl adc83f3be4c923d6587ba77ecdebfaa7 [0,2,0,0,0,0|1,0,1]=4 6007 B9R0.46 CC[C@@H](C)COCCC#N 5a04dd9c7eae1543e698fcd882d39132 [0,2,0,0,0,0|1,0,1]=4 6008 B9R0.46 CC[C@@H](C)COCCC=O 73ea6284a99d686bca8912bc4d397db8 [0,2,0,0,0,0|0,0,0]=2 6009 B9R0.46 CC[C@@H](C)COCCCF fc41ac2cfcb43bf231275de698c14903 [0,2,0,0,0,0|1,0,1]=4 6010 B9R0.46 CC[C@@H](C)COCCCS 57d260b3c50481f576cc9542789b4ef1 [0,2,0,0,0,0|0,1,1]=4 6011 B9R0.46 CC[C@@H](C)COCCOC 11a8e067c37d321b47b1174a4455512a [0,2,0,0,0,0|2,0,0]=4 6012 B9R0.46 CC[C@@H](C)COCCSC 2dfb6827106cf0f6d525c2adceffc8e0 [0,2,0,0,0,0|2,0,0]=4 6013 B9R0.46 CC[C@@H](C)NCCCC#N 606954c3cd98bb256b217cb0f10c4f50 [0,2,0,0,0,0|1,0,1]=4 6014 B9R0.46 CC[C@@H](C)NCCCC=O e1be8b6d98f789c65613c869a985540c [0,2,0,0,0,0|0,0,0]=2 6015 B9R0.46 CC[C@@H](C)NCCCCF eb65adaa49d7167074f92213ddbe6093 [0,2,0,0,0,0|1,0,1]=4 6016 B9R0.46 CC[C@@H](C)NCCCCO 75ad8c2daeead95458d1a1e8dccddd24 [0,2,0,0,0,0|0,0,2]=4 6017 B9R0.46 CC[C@@H](C)NCCCOC 822a7e313a224b9512648cc9b95bd904 [0,2,0,0,0,0|2,0,0]=4 6018 B9R0.46 CC[C@@H](C)NCCCSC 024d16c6df64eacbb8e22067de00574e [0,2,0,0,0,0|2,0,0]=4 6019 B9R0.46 CC[C@@H](C)OCCCC#N c32ce32a2f60c62d549952bb6e443541 [0,2,0,0,0,0|1,0,1]=4 6020 B9R0.46 CC[C@@H](C)OCCCC=O affc126d70813ac032232a3d21f0923c [0,2,0,0,0,0|0,0,0]=2 6021 B9R0.46 CC[C@@H](C)OCCCCF 5e3c9341302012b96ff35441d0c6a540 [0,2,0,0,0,0|1,0,1]=4 6022 B9R0.46 CC[C@@H](C)OCCCOC 2f9d57f9d6435302ae73a62c0138fd2b [0,2,0,0,0,0|2,0,0]=4 6023 B9R0.46 CC[C@@H](C)OCCCSC e3def9f2ce66bff30db7f50cb5fe763d [0,2,0,0,0,0|2,0,0]=4 6024 B9R0.46 CC[C@@H](O)CNC/C=C/Cl b68925a3dbf9e900d1ef6d9be10f0621 [0,2,0,0,0,0|1,0,1]=4 6025 B9R0.46 CC[C@@H](O)CNC/C=C\Cl 6ca84567ad058739afe72649f9cd6ac2 [0,2,0,0,0,0|1,0,1]=4 6026 B9R0.46 CC[C@@H](O)CNC/C=C\O 69b8df0c26033788f9408bbecd65cb25 [0,2,0,0,0,0|0,0,2]=4 6027 B9R0.46 CC[C@@H](O)CNCCC#N 7c6a5b93942df57965d96e8fddf9ac8b [0,2,0,0,0,0|1,0,1]=4 6028 B9R0.46 CC[C@@H](O)CNCCC=O 7c53ec8f7aba46128b14d414a03d6336 [0,2,0,0,0,0|0,0,0]=2 6029 B9R0.46 CC[C@@H](O)CNCCCF 7bf6659ea8de7b146b80b5b4045f0937 [0,2,0,0,0,0|1,0,1]=4 6030 B9R0.46 CC[C@@H](O)CNCCCO 08b86832c312e48f7b7fa53b09edf713 [0,2,0,0,0,0|0,0,2]=4 6031 B9R0.46 CC[C@@H](O)CNCCCS d051e53a6d27d182f9ff21405c8ae76e [0,2,0,0,0,0|0,1,1]=4 6032 B9R0.46 CC[C@@H](O)CNCCOC c8d506c530eccde26f1fae791d78f832 [0,2,0,0,0,0|2,0,0]=4 6033 B9R0.46 CC[C@@H](O)CNCCSC a9b2d3e387529d8ef33918862b98c2f5 [0,2,0,0,0,0|2,0,0]=4 6034 B9R0.46 CC[C@H](C)CCCOCF 194911e0348f65d440f6b1ae1cabf828 [0,2,0,0,0,0|1,0,1]=4 6035 B9R0.46 CC[C@H](C)CCOCC#N a505708a1db2130a28b88ee016e737b4 [0,2,0,0,0,0|1,0,1]=4 6036 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [0,2,0,0,0,0|0,0,0]=2 6037 B9R0.46 CC[C@H](C)CCOCCF 65f1a8f692bc413633f2553453ae2599 [0,2,0,0,0,0|1,0,1]=4 6038 B9R0.46 CC[C@H](C)CCOCCS 3d7d64a8868cacc88a22b2863146c292 [0,2,0,0,0,0|0,1,1]=4 6039 B9R0.46 CC[C@H](C)CCOCOC c0caa4055f4f401d311d021467a49848 [0,2,0,0,0,0|2,0,0]=4 6040 B9R0.46 CC[C@H](C)CCOCSC 65e0dba5496fb314a2e4e4952410bc6b [0,2,0,0,0,0|2,0,0]=4 6041 B9R0.46 CC[C@H](C)CNC/C=C/Cl 87066a2046ae89c71525543acb04a18f [0,2,0,0,0,0|1,0,1]=4 6042 B9R0.46 CC[C@H](C)CNC/C=C\Cl 419dc1d4312a04796d51ebef01e610c8 [0,2,0,0,0,0|1,0,1]=4 6043 B9R0.46 CC[C@H](C)CNC/C=C\O 55fce6d0bf68eea0a0fb8506f2d646b0 [0,2,0,0,0,0|0,0,2]=4 6044 B9R0.46 CC[C@H](C)CNCCC#N 3dcb7d392365bf51b1636f454374a85c [0,2,0,0,0,0|1,0,1]=4 6045 B9R0.46 CC[C@H](C)CNCCC=O e358f485d099c641cfa1fcd506941f98 [0,2,0,0,0,0|0,0,0]=2 6046 B9R0.46 CC[C@H](C)CNCCCCl cb5d3701a5454ab8a7c1e25b17e0c17c [0,2,0,0,0,0|1,0,1]=4 6047 B9R0.46 CC[C@H](C)CNCCCF e8fe43d0daac6024129fb4ce6eb899c7 [0,2,0,0,0,0|1,0,1]=4 6048 B9R0.46 CC[C@H](C)CNCCCO bbc2f0a02e4faf0f630ff6066f9a60d3 [0,2,0,0,0,0|0,0,2]=4 6049 B9R0.46 CC[C@H](C)CNCCCS 7de4d8a5b2b93a77f5a27c420a4ac670 [0,2,0,0,0,0|0,1,1]=4 6050 B9R0.46 CC[C@H](C)CNCCOC 89161844d77338176b3cf7dd44aac6c3 [0,2,0,0,0,0|2,0,0]=4 6051 B9R0.46 CC[C@H](C)CNCCON 70604e5fad54a94268eeec0a5852102b [0,2,0,0,0,0|2,0,0]=4 6052 B9R0.46 CC[C@H](C)CNCCSC 5e7c8ece39d8c5218152a0b255bf8521 [0,2,0,0,0,0|2,0,0]=4 6053 B9R0.46 CC[C@H](C)COC/C=C/Cl a29b4e087cb57078248b2c521aa56a50 [0,2,0,0,0,0|1,0,1]=4 6054 B9R0.46 CC[C@H](C)COC/C=C\Cl b3b1404689672818eca48392b783a449 [0,2,0,0,0,0|1,0,1]=4 6055 B9R0.46 CC[C@H](C)COCC=CCl 78cfe3a5e25160a63b76fae01962cff6 [0,2,0,0,0,0|1,0,1]=4 6056 B9R0.46 CC[C@H](C)COCCC#N 071b8989533068d0ebab383b8fe47876 [0,2,0,0,0,0|1,0,1]=4 6057 B9R0.46 CC[C@H](C)COCCC=O 02998a6cb7d56226c823a7da35ede65f [0,2,0,0,0,0|0,0,0]=2 6058 B9R0.46 CC[C@H](C)COCCCF c65d08248060987a358e369c41822355 [0,2,0,0,0,0|1,0,1]=4 6059 B9R0.46 CC[C@H](C)COCCCS 52471b27c193c4f27fa0495c9da8f449 [0,2,0,0,0,0|0,1,1]=4 6060 B9R0.46 CC[C@H](C)COCCOC fe07e47f9ef9af8156176cdea14b87ec [0,2,0,0,0,0|2,0,0]=4 6061 B9R0.46 CC[C@H](C)COCCSC 5a144b0e0ccac41436b54cbf36011015 [0,2,0,0,0,0|2,0,0]=4 6062 B9R0.46 CC[C@H](C)NCCCC#N 8d4ce9c91cb4e76fabdb6b7a27bf200e [0,2,0,0,0,0|1,0,1]=4 6063 B9R0.46 CC[C@H](C)NCCCC=O 27877691633ef91afbfdce76ea02c29f [0,2,0,0,0,0|0,0,0]=2 6064 B9R0.46 CC[C@H](C)NCCCCF 309e379717c13c1e9a6d85ea84bd551e [0,2,0,0,0,0|1,0,1]=4 6065 B9R0.46 CC[C@H](C)NCCCCO d56b8ae9eee11ef68d54b6dc3022e7f4 [0,2,0,0,0,0|0,0,2]=4 6066 B9R0.46 CC[C@H](C)NCCCOC b788f269c40d267ec5df84ae70dc09dc [0,2,0,0,0,0|2,0,0]=4 6067 B9R0.46 CC[C@H](C)NCCCSC cc62078d209b824b67a4761b761986b5 [0,2,0,0,0,0|2,0,0]=4 6068 B9R0.46 CC[C@H](C)OCCCC#N 46fce9032375e056ca79609b52bce31b [0,2,0,0,0,0|1,0,1]=4 6069 B9R0.46 CC[C@H](C)OCCCC=O 0bd2ba4d0329602504b9b03e6e85ee4b [0,2,0,0,0,0|0,0,0]=2 6070 B9R0.46 CC[C@H](C)OCCCCF 540bd33076f3a778f4a9ac8228bb2893 [0,2,0,0,0,0|1,0,1]=4 6071 B9R0.46 CC[C@H](C)OCCCOC 3a7736b0727880225605e3c3f5f132a5 [0,2,0,0,0,0|2,0,0]=4 6072 B9R0.46 CC[C@H](C)OCCCSC df0b9e89a23fd3867207d6b20f433550 [0,2,0,0,0,0|2,0,0]=4 6073 B9R0.46 CN(C#N)CCOCC=O 79d10aa7e82fa2092f836f1137ec6a9f [0,2,0,0,0,0|2,0,0]=4 6074 B9R0.46 CN(C=O)CCCCCO c53771f4b7aac7f2d7cf4ff756dc1493 [0,2,0,0,0,0|1,0,0]=3 6075 B9R0.46 CN(C=O)CCOCC=O 3f5cce65311d471d8705911fd40a00b6 [0,2,0,0,0,0|2,0,0]=4 6076 B9R0.46 CN(C=O)CCOCCF f062cb75f7eeafe4bae055fef014c772 [0,2,0,0,0,0|2,0,0]=4 6077 B9R0.46 CN(C=O)CCOCCO 0588b458e311bbf7340054389adcb7b7 [0,2,0,0,0,0|2,0,0]=4 6078 B9R0.46 CN(C=O)CCOCCS 30ac63368e8144a1209a917314105285 [0,2,0,0,0,0|2,0,0]=4 6079 B9R0.46 CNC(=O)CCCOCF 65d9205729e2e6fd35291b183abc5c0f [0,2,0,0,0,0|2,0,0]=4 6080 B9R0.46 CNC(=O)CCNCC=O ab971eff2808e4d18fa50a459e3f9591 [0,2,0,0,0,0|1,0,1]=4 6081 B9R0.46 CNC(=O)CCNCCBr 58197e44cdc47ecbc8dd4c3ba9fbd95d [0,2,0,0,0,0|2,0,0]=4 6082 B9R0.46 CNC(=O)CCNCCF f16c5cbcb4052726e9c2dda8d55c554b [0,2,0,0,0,0|2,0,0]=4 6083 B9R0.46 CNC(=O)CCNCCI 836a7d9d868b77c781af9dba58b1ddcc [0,2,0,0,0,0|2,0,0]=4 6084 B9R0.46 CNC(=O)CCNCCO 98df73f33e1b075bda1acbb74fe1c8df [0,2,0,0,0,0|2,0,0]=4 6085 B9R0.46 CNC(=O)CCNCCS 4999ce45a3979a9d1ffaa8e0c584a82f [0,2,0,0,0,0|2,0,0]=4 6086 B9R0.46 CNC(=O)CCNCOC 7810742c9a7309d6a50e5583d1c7366c [0,2,0,0,0,0|2,0,0]=4 6087 B9R0.46 CNC(=O)CCNCSC 0dbf9ad1e8e43ecf93b4bf63fc81dbaa [0,2,0,0,0,0|2,0,0]=4 6088 B9R0.46 CNC(=O)CCOCC=O abc7294946efcd96050b75607b925699 [0,2,0,0,0,0|1,0,1]=4 6089 B9R0.46 CNC(=O)CCOCCF b2e22a035cc2bd25c7b85b567f74cd31 [0,2,0,0,0,0|2,0,0]=4 6090 B9R0.46 CNC(=O)CCOCCS 067360fe45250b4deb2a92820d379203 [0,2,0,0,0,0|2,0,0]=4 6091 B9R0.46 CNC(=O)CCOCOC 00bdc051d7b098bed36277179c4c7787 [0,2,0,0,0,0|2,0,0]=4 6092 B9R0.46 CNC(=O)CCOCSC 32815e6ae018d6bf0c0d70259f25dc15 [0,2,0,0,0,0|2,0,0]=4 6093 B9R0.46 CNC(=O)CNCCC=O 43dca77f64065be5feb80813410a2b86 [0,2,0,0,0,0|1,0,1]=4 6094 B9R0.46 CNC(=O)CNCCCCl f33da0edd3b1ca6fafd30e8619d6f908 [0,2,0,0,0,0|2,0,0]=4 6095 B9R0.46 CNC(=O)CNCCCF c99e6740355bd3fd86f46be04b37b088 [0,2,0,0,0,0|2,0,0]=4 6096 B9R0.46 CNC(=O)CNCCCO 04620384c25840fda6cec1980d6e4534 [0,2,0,0,0,0|2,0,0]=4 6097 B9R0.46 CNC(=O)CNCCCS 9aea9ea78dd221b27be1bb53af4227f5 [0,2,0,0,0,0|2,0,0]=4 6098 B9R0.46 CNC(=O)CNCCOC 3560372e49cfd1a2ba747ed656f2948c [0,2,0,0,0,0|2,0,0]=4 6099 B9R0.46 CNC(=O)CNCCSC 5d20087e449164cd64dc97de1cf3722d [0,2,0,0,0,0|2,0,0]=4 6100 B9R0.46 CNC(=O)COCCC=O ba9fc695b1323b454b9e2f61256fecdb [0,2,0,0,0,0|1,0,1]=4 6101 B9R0.46 CNC(=O)COCCCF 8229e19515927d2310fcb0ba5e5996c9 [0,2,0,0,0,0|2,0,0]=4 6102 B9R0.46 CNC(=O)COCCCS 5ab090b2e2f4779a1f6ba14a86fa323f [0,2,0,0,0,0|2,0,0]=4 6103 B9R0.46 CNC(=O)COCCOC b7ef10bc05872848d2a63f248fdeadb8 [0,2,0,0,0,0|2,0,0]=4 6104 B9R0.46 CNC(=O)COCCSC 843ca49f0bc1f19fb66ac222247b788e [0,2,0,0,0,0|2,0,0]=4 6105 B9R0.46 COC(=O)CCCNC=O 8f1e475ecae02e6487f0d00c454ab8a4 [0,2,0,0,0,0|1,0,1]=4 6106 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [0,2,0,0,0,0|2,0,0]=4 6107 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [0,2,0,0,0,0|2,0,0]=4 6108 B9R0.46 COC(=O)CCNCC=O 18818f3569d125c78fa9cd973dfcfc31 [0,2,0,0,0,0|1,0,1]=4 6109 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [0,2,0,0,0,0|2,0,0]=4 6110 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [0,2,0,0,0,0|2,0,0]=4 6111 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [0,2,0,0,0,0|2,0,0]=4 6112 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [0,2,0,0,0,0|2,0,0]=4 6113 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [0,2,0,0,0,0|2,0,0]=4 6114 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [0,2,0,0,0,0|2,0,0]=4 6115 B9R0.46 COC(=O)CCOCC=O e3e43780dfc83d77f81fdd568a9b5113 [0,2,0,0,0,0|1,0,1]=4 6116 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [0,2,0,0,0,0|2,0,0]=4 6117 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [0,2,0,0,0,0|2,0,0]=4 6118 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [0,2,0,0,0,0|2,0,0]=4 6119 B9R0.46 COC(=O)CNCCC=O d85234be549d90df78a6b5c9d1ea9a55 [0,2,0,0,0,0|1,0,1]=4 6120 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [0,2,0,0,0,0|2,0,0]=4 6121 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [0,2,0,0,0,0|2,0,0]=4 6122 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [0,2,0,0,0,0|2,0,0]=4 6123 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [0,2,0,0,0,0|2,0,0]=4 6124 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [0,2,0,0,0,0|2,0,0]=4 6125 B9R0.46 COC(=O)COCCC=O d435b929cf2021dadfc1dd5d8636ed9e [0,2,0,0,0,0|1,0,1]=4 6126 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [0,2,0,0,0,0|2,0,0]=4 6127 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [0,2,0,0,0,0|2,0,0]=4 6128 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [0,2,0,0,0,0|2,0,0]=4 6129 B9R0.46 COC(C)CCOCC=O 0b0c48ce86b0d4306b127755a8a5c6f8 [0,2,0,0,0,0|1,0,0]=3 6130 B9R0.46 COC(C)COCCC=O 1c36be6f84a622a44fb09ef73d1e8b0b [0,2,0,0,0,0|1,0,0]=3 6131 B9R0.46 COCCCCN(C)C=O c4af9136179b3511052f27a49eec2e11 [0,2,0,0,0,0|1,0,0]=3 6132 B9R0.46 COCCCNC(=O)C=O 290a8c213bc9c4ea2729eb9887e718d1 [0,2,0,0,0,0|1,0,1]=4 6133 B9R0.46 COCCCNC(=O)CF 718d789d9c9b3de8ce7aaf799b138a49 [0,2,0,0,0,0|2,0,0]=4 6134 B9R0.46 COCCCNC(=O)CO 4b8e790e604cafa347f0e3785cd6641b [0,2,0,0,0,0|2,0,0]=4 6135 B9R0.46 COCCCNC(=O)CS 6542d3222e7a298778a1592dc2515b2a [0,2,0,0,0,0|2,0,0]=4 6136 B9R0.46 COCCCNC(C)C=O d0b57509a08585728203c70aacad460e [0,2,0,0,0,0|1,0,0]=3 6137 B9R0.46 COCCCN[C@H](C)C=O f09d9480a60b0665d83e9a9347e5a5da [0,2,0,0,0,0|1,0,0]=3 6138 B9R0.46 COCCCOC(C)C=O 9a5f6e6c676de8d2d1f397929db56613 [0,2,0,0,0,0|1,0,0]=3 6139 B9R0.46 COCCCO[C@H](C)C=O d25ebb3e6fd7ff8cf98932d3166da8ba [0,2,0,0,0,0|1,0,0]=3 6140 B9R0.46 COCCNCC(=O)CO 63a1f7327e6e41ceaf0dc4abf111dde8 [0,2,0,0,0,0|2,0,0]=4 6141 B9R0.46 COCCNCC(=O)NO 156786e448c5581f406d9b2c47539a38 [0,2,0,0,0,0|2,0,0]=4 6142 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [0,2,0,0,0,0|2,0,0]=4 6143 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [0,2,0,0,0,0|2,0,0]=4 6144 B9R0.46 COCNCCC(=O)NO a18e75fd577c81fbe36e1844be631c5d [0,2,0,0,0,0|2,0,0]=4 6145 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [0,2,0,0,0,0|2,0,0]=4 6146 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [0,2,0,0,0,0|2,0,0]=4 6147 B9R0.46 COCOCCN(C)C=O a9071fef31516c82b1eb23b3d9afa1c7 [0,2,0,0,0,0|2,0,0]=4 6148 B9R0.46 CO[C@@H](C)CNCCC=O d42d6f1bdf5c47bd7bf630f292bb9b89 [0,2,0,0,0,0|1,0,0]=3 6149 B9R0.46 CO[C@@H](C)COCCC=O 2d8c32f25fa94583e225dee2b9906562 [0,2,0,0,0,0|1,0,0]=3 6150 B9R0.46 CO[C@H](C)CNCCC=O 3bcce37fdb9b08a0f72bbf2efda5f9ee [0,2,0,0,0,0|1,0,0]=3 6151 B9R0.46 CO[C@H](C)COCCC=O db37f78f0a842b040b6f83c3ddcdcebc [0,2,0,0,0,0|1,0,0]=3 6152 B9R0.46 CSCCCNC(=O)C=O 28d590702e0165389862aff03ca57c7e [0,2,0,0,0,0|1,0,1]=4 6153 B9R0.46 CSCCCNC(=O)CF 9acc223c1c2784c04c0f9edcd685c29e [0,2,0,0,0,0|2,0,0]=4 6154 B9R0.46 CSCCCNC(=O)CO ce8082938571d6f8f53b5bb113c8236b [0,2,0,0,0,0|2,0,0]=4 6155 B9R0.46 CSCCCNC(=O)CS 3a7b1932bb117f738cca455d7c7d4dbd [0,2,0,0,0,0|2,0,0]=4 6156 B9R0.46 CSCCCNC(C)C=O 76f568b0480b2d9069e3a33a7387861a [0,2,0,0,0,0|1,0,0]=3 6157 B9R0.46 CSCCCN[C@H](C)C=O b9b57ee4edd5974d5a56a770a1225d56 [0,2,0,0,0,0|1,0,0]=3 6158 B9R0.46 CSCCCOC(C)C=O 85ce6f2df0bf4eb3046e0837d7f2a789 [0,2,0,0,0,0|1,0,0]=3 6159 B9R0.46 CSCCCO[C@H](C)C=O ac3078874cb1236d51f37e300aadddf1 [0,2,0,0,0,0|1,0,0]=3 6160 B9R0.46 CSCCNCC(=O)CO 7c89e5a1f006448fd613535cd28802ad [0,2,0,0,0,0|2,0,0]=4 6161 B9R0.46 CSCCNCC(=O)NO f6a47dfef283be8a8bff346305d276b6 [0,2,0,0,0,0|2,0,0]=4 6162 B9R0.46 CSCNCCC(=O)NO 25a1df3c9f97b1c3c1f0ca74400b5fbb [0,2,0,0,0,0|2,0,0]=4 6163 B9R0.46 CSCOCCN(C)C=O a1a4b29b553a0e4d21be9136431c2882 [0,2,0,0,0,0|2,0,0]=4 6164 B9R0.46 C[C@@H](CO)CCNCC=O a4e4182d6caae77f60047b228eea3c9e [0,2,0,0,0,0|1,0,0]=3 6165 B9R0.46 C[C@@H](CO)NCCCC=O 32999263e3d3a4c5346151fa32e8decd [0,2,0,0,0,0|1,0,0]=3 6166 B9R0.46 C[C@H](C=O)NCCCC#N a62cdeee276fc9b45a8a6c0794bea7a7 [0,2,0,0,0,0|1,0,1]=4 6167 B9R0.46 C[C@H](C=O)NCCCCCl e6c8baff8c1d12bdc1a6f40a2a3826b8 [0,2,0,0,0,0|1,0,0]=3 6168 B9R0.46 C[C@H](C=O)NCCCCO eb09c7f19ebf18215ec378c737164712 [0,2,0,0,0,0|1,0,0]=3 6169 B9R0.46 C[C@H](C=O)NCCCCS 87575fcf87743d54375253c008709169 [0,2,0,0,0,0|1,0,0]=3 6170 B9R0.46 C[C@H](C=O)OCCCC#N 1ae83477ec8e3feb339ce59105922150 [0,2,0,0,0,0|1,0,1]=4 6171 B9R0.46 C[C@H](C=O)OCCCC=O 112281841a29386b55fa57fda49059d9 [0,2,0,0,0,0|1,0,0]=3 6172 B9R0.46 C[C@H](C=O)OCCCCF f7bf3d2a1c35392a291f6751000fb4da [0,2,0,0,0,0|1,0,0]=3 6173 B9R0.46 C[C@H](C=O)OCCCCS 5d26a25ff8edfe0f5f9804badd01e01e [0,2,0,0,0,0|1,0,0]=3 6174 B9R0.46 C[C@H](C=O)OCCNC=O 677429e6dcf3d87d65cd19982b322e2a [0,2,0,0,0,0|2,0,0]=4 6175 B9R0.46 C[C@H](C=O)OCCOC=O 97abaacfd3b002050536b4330ed8028c [0,2,0,0,0,0|2,0,0]=4 6176 B9R0.46 C[C@H](CO)CNCCC=O c835017ff9056078e703d1da50ffe107 [0,2,0,0,0,0|1,0,0]=3 6177 B9R0.46 C[C@H](CO)NCCCC=O a5dd3b34cfb9d476a44ac4ee4e2c185d [0,2,0,0,0,0|1,0,0]=3 6178 B9R0.46 C[C@H](CS)OCCCC=O d09a6f242723d9211fa1abbf74bce5bb [0,2,0,0,0,0|1,0,0]=3 6179 B9R0.46 O=C(CCNCCF)NO f1a9591f153b7094b34052ef875af092 [0,2,0,0,0,0|2,0,0]=4 6180 B9R0.46 O=C(CCNCCO)NO 4bc12b023a7f32124df7975893cf39fa [0,2,0,0,0,0|2,0,0]=4 6181 B9R0.46 O=C(CCNCCS)NO b30314455cdf548c1b393948aeb7885e [0,2,0,0,0,0|2,0,0]=4 6182 B9R0.46 O=C(CF)NCCCCCl 0711319b7e1ea6f21ff287829fc7e7fd [0,2,0,0,0,0|2,0,0]=4 6183 B9R0.46 O=C(CF)NCCCCO 55742d922757adee17ba8d48239de065 [0,2,0,0,0,0|2,0,0]=4 6184 B9R0.46 O=C(CF)NCCCCS 8c0613e01a020880b3b5fbe1760dcd85 [0,2,0,0,0,0|2,0,0]=4 6185 B9R0.46 O=C(CNCCCF)NO 30488df9150071cb426792d2d35fac00 [0,2,0,0,0,0|2,0,0]=4 6186 B9R0.46 O=C(CNCCCO)NO 1af4cc000f4aa1711c6c174f8442cc41 [0,2,0,0,0,0|2,0,0]=4 6187 B9R0.46 O=C(CNCCCS)NO 53f363bf54cfb783281d22850e95be2f [0,2,0,0,0,0|2,0,0]=4 6188 B9R0.46 O=C(CO)CNCCCCl 8c6bfe8efa640a8717c55064de15a6cf [0,2,0,0,0,0|2,0,0]=4 6189 B9R0.46 O=C(CO)CNCCCO 3c1be4b73536b5d9eb97bb93f1f5b814 [0,2,0,0,0,0|2,0,0]=4 6190 B9R0.46 O=C(CO)NCCCCCl f0ad0ac6e2645bb25ea69c74141c8d38 [0,2,0,0,0,0|2,0,0]=4 6191 B9R0.46 O=C(CO)NCCCCO 063fc2727d5485e0a8fd8539cfb094c8 [0,2,0,0,0,0|2,0,0]=4 6192 B9R0.46 O=C(CO)NCCCCS 317b4fdfe03e7ecdf2b9dbde8ca0a55e [0,2,0,0,0,0|2,0,0]=4 6193 B9R0.46 O=C(CS)NCCCCCl cda979a7f379ed028a0c788381d70f6a [0,2,0,0,0,0|2,0,0]=4 6194 B9R0.46 O=C(CS)NCCCCO 4fcea8da1f2ecdfd0c739dabea0c409c [0,2,0,0,0,0|2,0,0]=4 6195 B9R0.46 O=C(CS)NCCCCS c7942cb438cc8ef27453e514b7d0db1a [0,2,0,0,0,0|2,0,0]=4 6196 B9R0.46 O=CC(=O)NCCCCCl 2c631277b132dc9b6613657e3eccfe36 [0,2,0,0,0,0|1,0,1]=4 6197 B9R0.46 O=CC(=O)NCCCCO 5fd0c54a12d8e68e68b582ab82f25438 [0,2,0,0,0,0|1,0,1]=4 6198 B9R0.46 O=CC(=O)NCCCCS 8f6bba6de16ad95183bd9d73abba60eb [0,2,0,0,0,0|1,0,1]=4 6199 B9R0.46 O=CCCNCC(Br)CBr a0b296f7efe9c67afd38abcbe6d738e4 [0,2,0,0,0,0|1,0,0]=3 6200 B9R0.46 O=CCCNCC(F)CO d1aabf8279290ce397e30542b4489cdf [0,2,0,0,0,0|1,0,0]=3 6201 B9R0.46 O=CCCNCC(O)CO 32628ad2fbf9648173a8a19c1520ad1f [0,2,0,0,0,0|1,0,0]=3 6202 B9R0.46 O=CCCNC[C@@H](F)CO b36c3d96f419c946512bf3f8cbbfe087 [0,2,0,0,0,0|1,0,0]=3 6203 B9R0.46 O=CCCNC[C@@H](O)CO ceed442a8d59a219e9c0942637e24e07 [0,2,0,0,0,0|1,0,0]=3 6204 B9R0.46 O=CCCNC[C@H](F)CO caa1693b032038a7bfd1c580cf7b0b67 [0,2,0,0,0,0|1,0,0]=3 6205 B9R0.46 O=CCCNC[C@H](O)CO 2c369bcd1fa533ee816c2c01f4aaed3f [0,2,0,0,0,0|1,0,0]=3 6206 B9R0.46 O=CCCOCC(Br)CBr e07361fb2e61eb3b6112f6ddbb5cb56d [0,2,0,0,0,0|1,0,0]=3 6207 B9R0.46 O=CCCOCC(Cl)CCl b4781f152e0fa5cd93f6e91bc39c8358 [0,2,0,0,0,0|1,0,0]=3 6208 B9R0.46 O=CCCOCC(O)CO 53480de88d7a20a84ad4df0dba0f3eac [0,2,0,0,0,0|1,0,0]=3 6209 B9R0.46 O=CCCOCC(S)CS 9b6ef62958959ed8017b6a4c0fb69249 [0,2,0,0,0,0|1,0,0]=3 6210 B9R0.46 O=CCCOC[C@@H](O)CO ef2f507bccdd84d0c39d37ba8fd15058 [0,2,0,0,0,0|1,0,0]=3 6211 B9R0.46 O=CCCOC[C@H](O)CO 77cb19d7bfed29451009fb29f3e004e3 [0,2,0,0,0,0|1,0,0]=3 6212 B9R0.46 O=CCNCCC(O)CO 5ce0793796242fd83d17450860a90d67 [0,2,0,0,0,0|1,0,0]=3 6213 B9R0.1 C=C(Br)CCOC(C)CC 091e084d3b6d1f82050c012325f204dd [0,2,0,0,0,0|2,0,0]=4 6214 B9R0.1 C=C(Br)CNCC(C)CC 981fc4bb74e598a40b1ff531d96d951a [0,2,0,0,0,0|2,0,0]=4 6215 B9R0.1 C=C(Br)CNCC(O)CC 4ff49eefc5d4f3344b24078b5812fb6a [0,2,0,0,0,0|2,0,0]=4 6216 B9R0.1 C=C(Br)CNC[C@@H](C)CC 3d05347509c6f7b0b8ea2128766d5683 [0,2,0,0,0,0|2,0,0]=4 6217 B9R0.1 C=C(Br)CNC[C@H](C)CC 482805fb21b45b39bbaeb88c7242fa36 [0,2,0,0,0,0|2,0,0]=4 6218 B9R0.1 C=C(Br)CNC[C@H](O)CC 7dc2f15a196901a81c904fc965862947 [0,2,0,0,0,0|2,0,0]=4 6219 B9R0.1 C=C(Br)COCC(C)CC e3c93140f7f9139cbd63ce3d8b91006f [0,2,0,0,0,0|2,0,0]=4 6220 B9R0.1 C=C(Br)COC[C@@H](C)CC 80766ee122c1e21cd3669d6da61c1402 [0,2,0,0,0,0|2,0,0]=4 6221 B9R0.1 C=C(Br)COC[C@H](C)CC 30d0d8ee9b254c321f85f05ca5650727 [0,2,0,0,0,0|2,0,0]=4 6222 B9R0.1 C=C(C)CCCN(C)CC 7e9a863cc15c250535771cbf79007e78 [0,2,0,0,0,0|2,0,0]=4 6223 B9R0.1 C=C(C)CCNC(C)C=O 43df71f67deba1e9670d934a997b28ba [0,2,0,0,0,0|1,0,1]=4 6224 B9R0.1 C=C(C)CCNC(C)CC 3e59254196aed313540af75c07c39315 [0,2,0,0,0,0|2,0,0]=4 6225 B9R0.1 C=C(C)CCN[C@@H](C)CC dd5db3d0315db4cd17c73027333e9aec [0,2,0,0,0,0|2,0,0]=4 6226 B9R0.1 C=C(C)CCN[C@H](C)C=O 9f6aefe3784797b8d1eda46fd27c5d92 [0,2,0,0,0,0|1,0,1]=4 6227 B9R0.1 C=C(C)CCN[C@H](C)CC 17f8689567b0cd30665489930711fefc [0,2,0,0,0,0|2,0,0]=4 6228 B9R0.1 C=C(C)CCOC(C)C=O 4cb57bc5ca557f8d37494c9f5d99b4d8 [0,2,0,0,0,0|1,0,1]=4 6229 B9R0.1 C=C(C)CCOC(C)CC c1ab39b33b060b66872a7a99cb42b49c [0,2,0,0,0,0|2,0,0]=4 6230 B9R0.1 C=C(C)CCO[C@@H](C)CC 1a113e19745c74a32b97d0777a65f856 [0,2,0,0,0,0|2,0,0]=4 6231 B9R0.1 C=C(C)CCO[C@H](C)C=O 3b4054d59e34118a5304e6ec77e57580 [0,2,0,0,0,0|1,0,1]=4 6232 B9R0.1 C=C(C)CCO[C@H](C)CC 10f668905abfc9df65d3d95b2b060ce8 [0,2,0,0,0,0|2,0,0]=4 6233 B9R0.1 C=C(C)CNCC(C)CC d4f1c6767e155a1fd81f2d6f4b177c23 [0,2,0,0,0,0|2,0,0]=4 6234 B9R0.1 C=C(C)CNCC(O)CC 2ee1dafbd05c8cf3866bf3e2ab88c344 [0,2,0,0,0,0|2,0,0]=4 6235 B9R0.1 C=C(C)CNC[C@@H](C)CC 6206249324b67e9f83a35f5c528b1179 [0,2,0,0,0,0|2,0,0]=4 6236 B9R0.1 C=C(C)CNC[C@H](C)CC cb261ab2a6f6774f97476ebf10cee194 [0,2,0,0,0,0|2,0,0]=4 6237 B9R0.1 C=C(C)CNC[C@H](O)CC 1cd546e36201607a149497a9372ee6f8 [0,2,0,0,0,0|2,0,0]=4 6238 B9R0.1 C=C(C)COCC(C)CC 3adee05156cf1068a7c305dcd2622cc9 [0,2,0,0,0,0|2,0,0]=4 6239 B9R0.1 C=C(C)COC[C@@H](C)CC a9f511de537b539852049654668eb445 [0,2,0,0,0,0|2,0,0]=4 6240 B9R0.1 C=C(C)COC[C@H](C)CC 7d2830ec8db581fdaca9ec3884531144 [0,2,0,0,0,0|2,0,0]=4 6241 B9R0.1 C=C(C=O)OCCC(C)C 993d6c44e913d202317615362ca5bde2 [0,2,0,0,0,0|1,0,1]=4 6242 B9R0.1 C=C(CC)CNCC(=O)C 205628c3f1d4d54a613a330b5d6c2214 [0,2,0,0,0,0|1,0,1]=4 6243 B9R0.1 C=C(CC)CNCC(=O)N 94b4243675063b97fbaab08b2e05f843 [0,2,0,0,0,0|1,0,1]=4 6244 B9R0.1 C=C(CC)CNCC(=O)O 3494cd583a0b63f9a90da7dbe9a93496 [0,2,0,0,0,0|1,0,1]=4 6245 B9R0.1 C=C(CC)COCC(=O)C f78ccdd12164ec1e55403e8a41ad2fdd [0,2,0,0,0,0|1,0,1]=4 6246 B9R0.1 C=C(CC)COCC(=O)N 4f32e5a5255bcb5998807b1f2368f780 [0,2,0,0,0,0|1,0,1]=4 6247 B9R0.1 C=C(CC)COCC(=O)O ee3b330f9d46b7ad6bddc2068ae1158b [0,2,0,0,0,0|1,0,1]=4 6248 B9R0.1 C=C(Cl)CNCC(C)CC 11c5950a5d91f0f0029477709543a1de [0,2,0,0,0,0|2,0,0]=4 6249 B9R0.1 C=C(Cl)CNCC(O)CC 4e40f748e99914c62c6cfa1d268f6630 [0,2,0,0,0,0|2,0,0]=4 6250 B9R0.1 C=C(Cl)CNC[C@@H](C)CC 98cafe9df3b2af14b613988adbe5a405 [0,2,0,0,0,0|2,0,0]=4 6251 B9R0.1 C=C(Cl)CNC[C@H](O)CC 0c80e6f43c1c8832aa2b0c526e0eec42 [0,2,0,0,0,0|2,0,0]=4 6252 B9R0.1 C=C(Cl)COCC(C)CC 8e12aa49282ca4c7aa5e587f6776b5d0 [0,2,0,0,0,0|2,0,0]=4 6253 B9R0.1 C=C(Cl)COC[C@@H](C)CC d6c8c8ec8af5460477d1adf7526bd82b [0,2,0,0,0,0|2,0,0]=4 6254 B9R0.1 C=C(Cl)COC[C@H](C)CC 26b9477bafe654353a35ccf76484b54b [0,2,0,0,0,0|2,0,0]=4 6255 B9R0.1 C=C(F)CNCC(O)CC 19f94b65ebce91b585fa671cbe47e1be [0,2,0,0,0,0|2,0,0]=4 6256 B9R0.1 C=C(F)CNC[C@H](O)CC 969b2119df1cb966d40e8d5da028c640 [0,2,0,0,0,0|2,0,0]=4 6257 B9R0.1 C=C(F)COCC(C)CC e971ce5b3a2f222771833358944ad7b1 [0,2,0,0,0,0|2,0,0]=4 6258 B9R0.1 C=C(F)COC[C@@H](C)CC 8754031d741b3a81e01246240a2af29d [0,2,0,0,0,0|2,0,0]=4 6259 B9R0.1 C=C(F)COC[C@H](C)CC 053b257de75e3ab9fbda44f561cf7b93 [0,2,0,0,0,0|2,0,0]=4 6260 B9R0.1 C=C(I)COCC(C)CC 6a37480b984d6a3a88d2a97c430f900f [0,2,0,0,0,0|2,0,0]=4 6261 B9R0.1 C=C(I)COC[C@@H](C)CC ebcd6aead02ff5da05d6692ec4f20a14 [0,2,0,0,0,0|2,0,0]=4 6262 B9R0.1 C=C(I)COC[C@H](C)CC 7cecb5a281b9320016babbf18a636c32 [0,2,0,0,0,0|2,0,0]=4 6263 B9R0.1 C=CC(C)COCC(C)C e0135e03dc1f6256c2c2c3edfa52760f [0,2,0,0,0,0|2,0,0]=4 6264 B9R0.1 C=CC(C)NCCC(C)C 20ba7a01acd10720940a856f95313f84 [0,2,0,0,0,0|2,0,0]=4 6265 B9R0.1 C=CC(C)NCCC(C)O d01f29e8014795af299f102771cf2b60 [0,2,0,0,0,0|2,0,0]=4 6266 B9R0.1 C=CC(C)NCC[C@@H](C)O 544a1897e226f54a3ec3b9e01803177e [0,2,0,0,0,0|2,0,0]=4 6267 B9R0.1 C=CC(C)NCC[C@H](C)O ef01d9050b04a036fcbd14fbcccd41ca [0,2,0,0,0,0|2,0,0]=4 6268 B9R0.1 C=CC(C)OCCC(C)C e46c6d9ac740df5977e8822742859261 [0,2,0,0,0,0|2,0,0]=4 6269 B9R0.1 C=CC(O)CNCC(C)C 338aa8c924f06c5274d86ba17f3164dd [0,2,0,0,0,0|2,0,0]=4 6270 B9R0.1 C=CC(O)CNCC(C)O 250a0738f8893561fa0bf4fc306ff879 [0,2,0,0,0,0|2,0,0]=4 6271 B9R0.1 C=CC(O)CNC[C@@H](C)O 4d3bcd699d7f87e5cad2ea1a194fcd40 [0,2,0,0,0,0|2,0,0]=4 6272 B9R0.1 C=CC(O)CNC[C@H](C)O 265c36358ddc06b7112a1d4489e2ca2a [0,2,0,0,0,0|2,0,0]=4 6273 B9R0.1 C=C[C@H](C)OCCC(C)C 1851092b6455955b808276d41966666f [0,2,0,0,0,0|2,0,0]=4 6274 B9R0.1 CC(=O)CCNC(C)CO 01ba95f6b1e359cb3c703695e54af8f9 [0,2,0,0,0,0|2,0,0]=4 6275 B9R0.1 CC(=O)CCN[C@@H](C)CO cfee917e546e694eb8cfec1ddb21f4ff [0,2,0,0,0,0|2,0,0]=4 6276 B9R0.1 CC(=O)CCN[C@H](C)CO 6a8f8df3011cfcce7cd31192a422cdd8 [0,2,0,0,0,0|2,0,0]=4 6277 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,2,0,0,0,0|1,0,1]=4 6278 B9R0.1 CC(=O)CCOC(C)CF 2b40c92c280f522bdc6bcc23530c56f2 [0,2,0,0,0,0|2,0,0]=4 6279 B9R0.1 CC(=O)CCOC(C)CS 727af9312bf0bae1f3dfb371a20f5514 [0,2,0,0,0,0|2,0,0]=4 6280 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,2,0,0,0,0|1,0,1]=4 6281 B9R0.1 CC(=O)CCO[C@H](C)CS ca9c10e49fb951095de6ae1c1ca5c0e6 [0,2,0,0,0,0|2,0,0]=4 6282 B9R0.1 CC(=O)CNCC(C)CO 687573d47da7078f008452b6941cfbb6 [0,2,0,0,0,0|2,0,0]=4 6283 B9R0.1 CC(=O)CNCC(O)CF dae4f209c6741610d562bfbe54fd9b4b [0,2,0,0,0,0|2,0,0]=4 6284 B9R0.1 CC(=O)CNCC(O)CO 7df10622569579ec4e37135d617c20f8 [0,2,0,0,0,0|2,0,0]=4 6285 B9R0.1 CC(=O)CNC[C@@H](C)CO 83d4361a5af389dd1a51e847e0c228db [0,2,0,0,0,0|2,0,0]=4 6286 B9R0.1 CC(=O)CNC[C@@H](O)CO f38bd77162dcfb4e06fb2eb4600c9073 [0,2,0,0,0,0|2,0,0]=4 6287 B9R0.1 CC(=O)CNC[C@H](C)CO 0c7d13a9c50e9968d7e5477a482d94c3 [0,2,0,0,0,0|2,0,0]=4 6288 B9R0.1 CC(=O)CNC[C@H](O)CO 5a00c829e2ca3328b3583f6a763316af [0,2,0,0,0,0|2,0,0]=4 6289 B9R0.1 CC(=O)COCC(O)CO b5303e7df9e726b681ea5d404ed3bc97 [0,2,0,0,0,0|2,0,0]=4 6290 B9R0.1 CC(=O)COC[C@@H](O)CO 78cf96cbedfae3de09518ee1c5c9b9f8 [0,2,0,0,0,0|2,0,0]=4 6291 B9R0.1 CC(=O)COC[C@H](O)CO e9c68d561b4f4daa98b62962f8db89cb [0,2,0,0,0,0|2,0,0]=4 6292 B9R0.1 CC(=O)NCCC(C)CO bebfc27f0403b0ff17a662d28cff0e43 [0,2,0,0,0,0|2,0,0]=4 6293 B9R0.1 CC(=O)NCCC(O)CO 6dba80410c8d6e60b084a12c9a16e519 [0,2,0,0,0,0|2,0,0]=4 6294 B9R0.1 CC(=O)NCC[C@@H](C)CO caf7a94637e8711be8cab6e4c356b0b6 [0,2,0,0,0,0|2,0,0]=4 6295 B9R0.1 CC(C)CCNC(=O)C=O 3e18bda81d0213cfda084da64572a73c [0,2,0,0,0,0|1,0,1]=4 6296 B9R0.1 CC(C)CCNC(C)C=O 3221f606f7956b43deb70e498d061682 [0,2,0,0,0,0|1,0,0]=3 6297 B9R0.1 CC(C)CCN[C@H](C)C=O 2c72716bb9100d915860d6fe0bb8b954 [0,2,0,0,0,0|1,0,0]=3 6298 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [0,2,0,0,0,0|1,0,0]=3 6299 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [0,2,0,0,0,0|1,0,0]=3 6300 B9R0.1 CC(C)OCCN(C)C=O 2dcb2fc4fd19abf044c53b767f997aad [0,2,0,0,0,0|2,0,0]=4 6301 B9R0.1 CC(C)OCOC(C)C=O 00b2414932ee986b1deaf039b55189b7 [0,2,0,0,0,0|2,0,0]=4 6302 B9R0.1 CC(C=O)NCCC(F)F 1e5f1e351bcfb2ddd6c7474fb0bd7970 [0,2,0,0,0,0|2,0,0]=4 6303 B9R0.1 CC(C=O)NCCN(C)C 968e2688542ca14f9807b401309fffe8 [0,2,0,0,0,0|2,0,0]=4 6304 B9R0.1 CC(C=O)NCCS(=O)C 3edf3dc3e6e9aec19119179e90a20987 [0,2,0,0,0,0|2,0,0]=4 6305 B9R0.1 CC(C=O)NCC[C@@H](C)O 2863e281760f2e623fa07b84044ce5a7 [0,2,0,0,0,0|1,0,0]=3 6306 B9R0.1 CC(C=O)NCC[C@H](C)O 47dc5580379526f559cc3700640942f7 [0,2,0,0,0,0|1,0,0]=3 6307 B9R0.1 CC(C=O)OCCC(F)F f5431b409fc1d94724e42868cfcd7a32 [0,2,0,0,0,0|2,0,0]=4 6308 B9R0.1 CC(C=O)OCCN(C)C 994f39dd6fea5439e8ac2578c26c081b [0,2,0,0,0,0|2,0,0]=4 6309 B9R0.1 CC(C=O)OCCS(=O)C ca679856f7f7abe1bc7fc88b1c13f4f0 [0,2,0,0,0,0|2,0,0]=4 6310 B9R0.1 CC(CF)OCCC(=O)N 77e5540c955a9bd5601c5ff0437ec4f8 [0,2,0,0,0,0|2,0,0]=4 6311 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [0,2,0,0,0,0|2,0,0]=4 6312 B9R0.1 CC(CO)CNCC(=O)N 1515f5dca39d8974b65c9c8e576ba458 [0,2,0,0,0,0|2,0,0]=4 6313 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,2,0,0,0,0|2,0,0]=4 6314 B9R0.1 CC(CO)NCCC(=O)N b00aad0bfd7caa3a7945ce46f42cbd7d [0,2,0,0,0,0|2,0,0]=4 6315 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,2,0,0,0,0|2,0,0]=4 6316 B9R0.1 CC(CS)OCCC(=O)N 084f32928b5b0a54f93fef70f63ed831 [0,2,0,0,0,0|2,0,0]=4 6317 B9R0.1 CC(O)CCNC(=O)C=O 500a57bebfd5261d3f0f8c9320411135 [0,2,0,0,0,0|1,0,1]=4 6318 B9R0.1 CC(O)CCNC(C)C=O 102e4a6aec885aac6cd0f6cd19f9a5a8 [0,2,0,0,0,0|1,0,0]=3 6319 B9R0.1 CC(O)CCN[C@H](C)C=O a300521a84a916f59f3cd17f203ac23d [0,2,0,0,0,0|1,0,0]=3 6320 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [0,2,0,0,0,0|1,0,1]=4 6321 B9R0.1 CCC(=O)CNCC(=O)N b1f11e2d5f5ee8c4d027ab9d5809c520 [0,2,0,0,0,0|1,0,1]=4 6322 B9R0.1 CCC(=O)CNCC(=O)O 7018cc82507b5cf3388be4a1b0a3b91b [0,2,0,0,0,0|1,0,1]=4 6323 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [0,2,0,0,0,0|1,0,1]=4 6324 B9R0.1 CCC(=O)COCC(=O)N 4d32515e208c3a78476e0dfcc1e32b89 [0,2,0,0,0,0|1,0,1]=4 6325 B9R0.1 CCC(=O)COCC(=O)O 1a72a234de91ee3fa394daead68a119d [0,2,0,0,0,0|1,0,1]=4 6326 B9R0.1 CCC(=O)NCCC(=O)N 17f638fb9136d22630942c7277f78330 [0,2,0,0,0,0|1,0,1]=4 6327 B9R0.1 CCC(C)CCNC(=O)C 2da423144efbc22bf5c1e3503bb1535e [0,2,0,0,0,0|1,0,0]=3 6328 B9R0.1 CCC(C)CNCC(=O)C 38219368305ac283b328948de524c748 [0,2,0,0,0,0|1,0,0]=3 6329 B9R0.1 CCC(C)CNCC(=O)N 16522a2e22028faf802074861520249b [0,2,0,0,0,0|1,0,0]=3 6330 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,2,0,0,0,0|1,0,0]=3 6331 B9R0.1 CCC(C)CNC[N+](=O)[O-] 068de4f8b1ca53a43e6540741dc39a8b [0,2,0,0,0,0|2,0,0]=4 6332 B9R0.1 CCC(C)COCC(=O)C bd04825963a18a80e53433b8af338adb [0,2,0,0,0,0|1,0,0]=3 6333 B9R0.1 CCC(C)COCC(=O)N 2a0ba5bb8f81333cdbeea70ace57393a [0,2,0,0,0,0|1,0,0]=3 6334 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,2,0,0,0,0|1,0,0]=3 6335 B9R0.1 CCC(C)COCC(=S)N 55ef566efc4ab6e72735313e0e433e49 [0,2,0,0,0,0|1,1,0]=4 6336 B9R0.1 CCC(C)COCS(=O)O aa2f448e10aac758f905eaea4ded0bb5 [0,2,0,0,0,0|2,0,0]=4 6337 B9R0.1 CCC(C)COC[N+](=O)[O-] 745f15624642a882da5b732a4eee2a0b [0,2,0,0,0,0|2,0,0]=4 6338 B9R0.1 CCC(C)NCCC(=O)C 553b77e78208b9e578091ff5b7a7dbdb [0,2,0,0,0,0|1,0,0]=3 6339 B9R0.1 CCC(C)NCCC(=O)N 1a4e576a5df92bfad9c34a96c5e494ae [0,2,0,0,0,0|1,0,0]=3 6340 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,2,0,0,0,0|1,0,0]=3 6341 B9R0.1 CCC(C)NCCC(=S)N a908450007e25a71c98e5e23ec373b39 [0,2,0,0,0,0|1,1,0]=4 6342 B9R0.1 CCC(C)NCCS(=O)C fa17ca3cf9f3eaf4d4c144b34f44cd9a [0,2,0,0,0,0|2,0,0]=4 6343 B9R0.1 CCC(C)NCCS(=O)O 72c84b7af723b02c5376adf14512bab4 [0,2,0,0,0,0|2,0,0]=4 6344 B9R0.1 CCC(C)NCOC(=O)C 23aa0ac2e47ba04a5a139a2e1c0bf0de [0,2,0,0,0,0|2,0,0]=4 6345 B9R0.1 CCC(C)NCSC(=O)N 99818846aaffb2d6958455e86b9a4762 [0,2,0,0,0,0|2,0,0]=4 6346 B9R0.1 CCC(C)OCCC(=O)C 3c4819c84edde006647b7f4661484ff1 [0,2,0,0,0,0|1,0,0]=3 6347 B9R0.1 CCC(C)OCCC(=O)N c80df9816dad84b994c7ec7d952479b6 [0,2,0,0,0,0|1,0,0]=3 6348 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [0,2,0,0,0,0|1,0,0]=3 6349 B9R0.1 CCC(C)OCCS(=O)C e67f403f4904a01e724c3d61f00e1775 [0,2,0,0,0,0|2,0,0]=4 6350 B9R0.1 CCC(C)OCC[N+](=O)[O-] 2ed110549f6c3bf31f3ceb6d374ed380 [0,2,0,0,0,0|2,0,0]=4 6351 B9R0.1 CCC(C)OCNC(=O)C 8183d13cbf9d8c857b25fb9915a8e602 [0,2,0,0,0,0|2,0,0]=4 6352 B9R0.1 CCC(C)OCNC(=O)N 8bdf4dea8e83697fdf038441dcfc0b21 [0,2,0,0,0,0|2,0,0]=4 6353 B9R0.1 CCC(C)OCOC(=O)C f818c8d88ded73092c135f186b34a6ed [0,2,0,0,0,0|2,0,0]=4 6354 B9R0.1 CCC(C)OCSC(=O)N 10be0faea3701cb21a8b6267ba5f766e [0,2,0,0,0,0|2,0,0]=4 6355 B9R0.1 CCC(O)CNCC(=O)C ede59564767224e151ba36bea1af43f8 [0,2,0,0,0,0|1,0,0]=3 6356 B9R0.1 CCC(O)CNCC(=O)N 0115c55aa91aa51240c8355946838a03 [0,2,0,0,0,0|1,0,0]=3 6357 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,2,0,0,0,0|1,0,0]=3 6358 B9R0.1 CCC(O)CNC[N+](=O)[O-] ab40c740d4cc118e83e60fa56ed91e85 [0,2,0,0,0,0|2,0,0]=4 6359 B9R0.1 CCN(C)CCCC(=O)C 41478ee9c5261856d551150317f5e6d2 [0,2,0,0,0,0|1,0,0]=3 6360 B9R0.1 CCN(C)CCCC(=O)N 5457b0b5f3c627b5bbae3b3b0443c3e6 [0,2,0,0,0,0|1,0,0]=3 6361 B9R0.1 CCN(C)CCCC(=O)O 95bc41ded99741417784aba721ce87aa [0,2,0,0,0,0|1,0,0]=3 6362 B9R0.1 CCN(C)CCC[N+](=O)[O-] 7f6a18cc44467b2fa9f932d555390893 [0,2,0,0,0,0|2,0,0]=4 6363 B9R0.1 CCN(C)CCNC(=O)C 8261fd541df04ed3dee9f95b587853cd [0,2,0,0,0,0|2,0,0]=4 6364 B9R0.1 CCN(C)CCNC(=O)N bafdb7984409d28d75edcbc4894db829 [0,2,0,0,0,0|2,0,0]=4 6365 B9R0.1 CCN(C)CCOC(=O)C 2e72695c8766aa8c6dd0fb8fcaa7e65d [0,2,0,0,0,0|2,0,0]=4 6366 B9R0.1 CCN(C)CCSC(=O)C 6e1d069dc9e4f41572e9ef79797ac9c0 [0,2,0,0,0,0|2,0,0]=4 6367 B9R0.1 CC[C@@H](C)CNCC(=O)C 57a59e48f50a2bc35515a82d8a8c3a79 [0,2,0,0,0,0|1,0,0]=3 6368 B9R0.1 CC[C@@H](C)CNCC(=O)N 86fe84e58c34c31bc79a8f984286262c [0,2,0,0,0,0|1,0,0]=3 6369 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,2,0,0,0,0|1,0,0]=3 6370 B9R0.1 CC[C@@H](C)COCC(=O)C 3ea96dffd188de143cbb785260b39e0c [0,2,0,0,0,0|1,0,0]=3 6371 B9R0.1 CC[C@@H](C)COCC(=O)N 740f240e3f600ed639946b1e0e9b224f [0,2,0,0,0,0|1,0,0]=3 6372 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,2,0,0,0,0|1,0,0]=3 6373 B9R0.1 CC[C@@H](C)COCC(=S)N 845d22901c19e52b71204759841b42b4 [0,2,0,0,0,0|1,1,0]=4 6374 B9R0.1 CC[C@@H](C)COCS(=O)O 19b9a9e681b592b4e47910d2bc3144b8 [0,2,0,0,0,0|2,0,0]=4 6375 B9R0.1 CC[C@@H](C)COC[N+](=O)[O-] d5053705678f945de7746ecae1a09b1d [0,2,0,0,0,0|2,0,0]=4 6376 B9R0.1 CC[C@@H](C)NCCC(=O)C ee2823585fbc4d880fa3f68fe921eb3d [0,2,0,0,0,0|1,0,0]=3 6377 B9R0.1 CC[C@@H](C)NCCC(=O)N b6b2677e5edf0741bd651bdbb3611804 [0,2,0,0,0,0|1,0,0]=3 6378 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,2,0,0,0,0|1,0,0]=3 6379 B9R0.1 CC[C@@H](C)NCCS(=O)C ef3dd5974ed506c6358962ab3726809b [0,2,0,0,0,0|2,0,0]=4 6380 B9R0.1 CC[C@@H](C)NCOC(=O)C a711d08f12460f2a76c41395ffc9ec65 [0,2,0,0,0,0|2,0,0]=4 6381 B9R0.1 CC[C@@H](C)NCSC(=O)N 4296f6a08650c5d681b93398b84c69ae [0,2,0,0,0,0|2,0,0]=4 6382 B9R0.1 CC[C@@H](C)OCCC(=O)C 49267d242cdea675a244728a918e9b2e [0,2,0,0,0,0|1,0,0]=3 6383 B9R0.1 CC[C@@H](C)OCCC(=O)N 94e454e36f118d64a2660378253d5f3a [0,2,0,0,0,0|1,0,0]=3 6384 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [0,2,0,0,0,0|1,0,0]=3 6385 B9R0.1 CC[C@@H](C)OCCS(=O)C 9b9f925e3813153ad01d285336dc42b0 [0,2,0,0,0,0|2,0,0]=4 6386 B9R0.1 CC[C@@H](C)OCOC(=O)C 65fc54324ee0a95629ae5ef18322eb78 [0,2,0,0,0,0|2,0,0]=4 6387 B9R0.1 CC[C@@H](C)OCSC(=O)N 3b0c60f54d867c23b33abb1c316c2aca [0,2,0,0,0,0|2,0,0]=4 6388 B9R0.1 CC[C@@H](O)CNCC(=O)N 8d91f413ccf87ad2db7b150f686cd85b [0,2,0,0,0,0|1,0,0]=3 6389 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,2,0,0,0,0|1,0,0]=3 6390 B9R0.1 CC[C@@H](O)CNC[N+](=O)[O-] 269ab3ad582297fdd9a4268ec484f622 [0,2,0,0,0,0|2,0,0]=4 6391 B9R0.1 CC[C@H](C)CNCC(=O)C f6e69c2b87b1b94a0f2513a65f560c31 [0,2,0,0,0,0|1,0,0]=3 6392 B9R0.1 CC[C@H](C)CNCC(=O)N 1896affdbe0b42f4fa2702bb9fa0f52c [0,2,0,0,0,0|1,0,0]=3 6393 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,2,0,0,0,0|1,0,0]=3 6394 B9R0.1 CC[C@H](C)CNC[N+](=O)[O-] 9bee9049907540f7b558160946c6eae0 [0,2,0,0,0,0|2,0,0]=4 6395 B9R0.1 CC[C@H](C)COCC(=O)C 80eb9e48ec554962e19de8a0a5190a68 [0,2,0,0,0,0|1,0,0]=3 6396 B9R0.1 CC[C@H](C)COCC(=O)N 618c87bafaf60a39a5844b8445445aab [0,2,0,0,0,0|1,0,0]=3 6397 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,2,0,0,0,0|1,0,0]=3 6398 B9R0.1 CC[C@H](C)COCC(=S)N 9993ad6712ea9aa5c90bd28da11fa8ea [0,2,0,0,0,0|1,1,0]=4 6399 B9R0.1 CC[C@H](C)COCS(=O)O 39955f728c40bf5dcc7b4871cd9bc9b3 [0,2,0,0,0,0|2,0,0]=4 6400 B9R0.1 CC[C@H](C)COC[N+](=O)[O-] 19c8793d4a01be6830c7dfc381098174 [0,2,0,0,0,0|2,0,0]=4 6401 B9R0.1 CC[C@H](C)NCCC(=O)C 5a9b435e46c65397c3b77d227f6c8d6d [0,2,0,0,0,0|1,0,0]=3 6402 B9R0.1 CC[C@H](C)NCCC(=O)N 20e8289367182a2a107c4742c2451855 [0,2,0,0,0,0|1,0,0]=3 6403 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,2,0,0,0,0|1,0,0]=3 6404 B9R0.1 CC[C@H](C)NCCS(=O)C 0f8fbcfee0e31d449c9a62890f9930d1 [0,2,0,0,0,0|2,0,0]=4 6405 B9R0.1 CC[C@H](C)NCOC(=O)C ec462d5afb28a22cfec47297688b8d5f [0,2,0,0,0,0|2,0,0]=4 6406 B9R0.1 CC[C@H](C)NCSC(=O)N d95b5607ccbac595df027faddf664742 [0,2,0,0,0,0|2,0,0]=4 6407 B9R0.1 CC[C@H](C)OCCC(=O)C 57f743174dad87e641f434790222523a [0,2,0,0,0,0|1,0,0]=3 6408 B9R0.1 CC[C@H](C)OCCC(=O)N 13ca221b762a4b3d6b0303649fde7620 [0,2,0,0,0,0|1,0,0]=3 6409 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [0,2,0,0,0,0|1,0,0]=3 6410 B9R0.1 CC[C@H](C)OCCS(=O)C 565808f685a16233d5f19d85e2024055 [0,2,0,0,0,0|2,0,0]=4 6411 B9R0.1 CC[C@H](C)OCOC(=O)C f590ede741d93a99ae3c6a1bb1672402 [0,2,0,0,0,0|2,0,0]=4 6412 B9R0.1 CC[C@H](C)OCSC(=O)N 26fb1e031263c83f28320f3d7239855b [0,2,0,0,0,0|2,0,0]=4 6413 B9R0.1 CN(C)CCCN(C)C=O ed603025d2d59aa53dc1a2e364147b5e [0,2,0,0,0,0|2,0,0]=4 6414 B9R0.1 CN(CF)CCCC(=O)N 65f565f0e81325c053f50906964421e0 [0,2,0,0,0,0|2,0,0]=4 6415 B9R0.1 CN(CF)CCCC(=O)O ca2d2af989107fbb2003dee075ad73ef [0,2,0,0,0,0|2,0,0]=4 6416 B9R0.1 CN(CO)CCCC(=O)N fec24e82a12ce5647c3e02571de30e68 [0,2,0,0,0,0|2,0,0]=4 6417 B9R0.1 CN(CO)CCCC(=O)O 15d2d5e0a3745bcbc8af1be8c111eca1 [0,2,0,0,0,0|2,0,0]=4 6418 B9R0.1 COC(C)CNCC(=O)C a496551dd3631b02d91d02c1cf1f9a01 [0,2,0,0,0,0|2,0,0]=4 6419 B9R0.1 COC(C)CNCC(=O)N c406d754cedf46f953aabf5f2b6c5f83 [0,2,0,0,0,0|2,0,0]=4 6420 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,2,0,0,0,0|2,0,0]=4 6421 B9R0.1 COC(C)COCC(=O)C 3142f37743266362b2effa0bced7ba98 [0,2,0,0,0,0|2,0,0]=4 6422 B9R0.1 COC(C)COCC(=O)N 043fe304acc48d7988a07ed3f995965a [0,2,0,0,0,0|2,0,0]=4 6423 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,2,0,0,0,0|2,0,0]=4 6424 B9R0.1 CO[C@@H](C)CNCC(=O)C 7198624c11de30df71b09e1e81cad62d [0,2,0,0,0,0|2,0,0]=4 6425 B9R0.1 CO[C@@H](C)CNCC(=O)N e607cb12070ca1a41a2d7ac47b7100ff [0,2,0,0,0,0|2,0,0]=4 6426 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,2,0,0,0,0|2,0,0]=4 6427 B9R0.1 CO[C@@H](C)COCC(=O)C 8fa47a19787c56e3041f0099c3b9f382 [0,2,0,0,0,0|2,0,0]=4 6428 B9R0.1 CO[C@@H](C)COCC(=O)N 606070aa116c4601f0bb391f8a9522c6 [0,2,0,0,0,0|2,0,0]=4 6429 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,2,0,0,0,0|2,0,0]=4 6430 B9R0.1 CO[C@H](C)CNCC(=O)C 8d7b3f7b6bbe18398470ba66d5033f7d [0,2,0,0,0,0|2,0,0]=4 6431 B9R0.1 CO[C@H](C)CNCC(=O)N 6f53ca4bf47d6016b38536d82bb3bea6 [0,2,0,0,0,0|2,0,0]=4 6432 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,2,0,0,0,0|2,0,0]=4 6433 B9R0.1 CO[C@H](C)COCC(=O)C 925cd39e23e3c2b6a4f7853c64166350 [0,2,0,0,0,0|2,0,0]=4 6434 B9R0.1 CO[C@H](C)COCC(=O)N ca233f244286a0b7232c14b3d8ba2757 [0,2,0,0,0,0|2,0,0]=4 6435 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,2,0,0,0,0|2,0,0]=4 6436 B9R0.1 C[C@@H](CO)CNCC(=O)N 95d4f46f098a8874b30eaaa2710258a6 [0,2,0,0,0,0|2,0,0]=4 6437 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,2,0,0,0,0|2,0,0]=4 6438 B9R0.1 C[C@@H](CO)NCCC(=O)N 81eea7dbe7f903d97595b667a60b47f9 [0,2,0,0,0,0|2,0,0]=4 6439 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,2,0,0,0,0|2,0,0]=4 6440 B9R0.1 C[C@@H](O)CCNC(=O)C=O 39832c64815f6d3c92ea5a825a51a324 [0,2,0,0,0,0|1,0,1]=4 6441 B9R0.1 C[C@H](C=O)NCCC(F)F 380b90df699648fd4a1f70bbb73c7612 [0,2,0,0,0,0|2,0,0]=4 6442 B9R0.1 C[C@H](C=O)NCCN(C)C 60db3610b0feaf3c59c8969c3c9de686 [0,2,0,0,0,0|2,0,0]=4 6443 B9R0.1 C[C@H](C=O)NCCS(=O)C 159b52598adc92c1b324676fa3664080 [0,2,0,0,0,0|2,0,0]=4 6444 B9R0.1 C[C@H](C=O)NCC[C@@H](C)O b61fc1d13b13915b53d20f0a8e3c9419 [0,2,0,0,0,0|1,0,0]=3 6445 B9R0.1 C[C@H](C=O)OCCC(F)F 8e738b748af0a1830c22b8df247a99be [0,2,0,0,0,0|2,0,0]=4 6446 B9R0.1 C[C@H](C=O)OCCN(C)C c089a41ca48814b3b3a9e8546fff953d [0,2,0,0,0,0|2,0,0]=4 6447 B9R0.1 C[C@H](C=O)OCCS(=O)C 30df767ceccbd7dd3ee62395c6733f9a [0,2,0,0,0,0|2,0,0]=4 6448 B9R0.1 C[C@H](CO)CNCC(=O)N 54d59c4b8d1eedf9603fa590919322a3 [0,2,0,0,0,0|2,0,0]=4 6449 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,2,0,0,0,0|2,0,0]=4 6450 B9R0.1 C[C@H](CO)NCCC(=O)N 9104073cf14f07aa3bfbe209e7cf4529 [0,2,0,0,0,0|2,0,0]=4 6451 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,2,0,0,0,0|2,0,0]=4 6452 B9R0.1 C[C@H](CS)OCCC(=O)N b70342dff22e2acfef39f97500e9adb6 [0,2,0,0,0,0|2,0,0]=4 6453 B9R0.1 C[C@H](O)CCNC(=O)C=O 3260c79bc167bb2c467ba0f7ea799ebb [0,2,0,0,0,0|1,0,1]=4 6454 B9R0.1 C[C@H](O)CCN[C@H](C)C=O 84460b24e697c1c62e7c6e55b85b6954 [0,2,0,0,0,0|1,0,0]=3 6455 B9R0.1 NC(=O)CNCC(Br)CBr 72f16a9d118816c5c965d7f812c6d81f [0,2,0,0,0,0|2,0,0]=4 6456 B9R0.1 NC(=O)CNCC(F)CO 57d703cf810e24eae7a888b046d6fec6 [0,2,0,0,0,0|2,0,0]=4 6457 B9R0.1 NC(=O)CNCC(O)CF 1338ba6fc5ebaf27ea5f9f606ff49f58 [0,2,0,0,0,0|2,0,0]=4 6458 B9R0.1 NC(=O)CNCC(O)CO fe4a86fd151743dd0b9ded1e0af5af8f [0,2,0,0,0,0|2,0,0]=4 6459 B9R0.1 NC(=O)CNC[C@@H](F)CO ec17e4a873171e0e831e9372020ba1a6 [0,2,0,0,0,0|2,0,0]=4 6460 B9R0.1 NC(=O)CNC[C@@H](O)CO 4fa84f02313a101ba566c64233f5bb99 [0,2,0,0,0,0|2,0,0]=4 6461 B9R0.1 NC(=O)CNC[C@H](F)CO a7c05a924b239326a1922acfb088d2f3 [0,2,0,0,0,0|2,0,0]=4 6462 B9R0.1 NC(=O)CNC[C@H](O)CO 036c84b825350672b7fa7729cd0fb014 [0,2,0,0,0,0|2,0,0]=4 6463 B9R0.1 NC(=O)COCC(Br)CBr c1281a01e16429d77845b2e0267540b5 [0,2,0,0,0,0|2,0,0]=4 6464 B9R0.1 NC(=O)COCC(Cl)CCl bf3648529fbc2a76421155d5326404ff [0,2,0,0,0,0|2,0,0]=4 6465 B9R0.1 NC(=O)COCC(O)CO e5d7c23e48aadaa516f0566aca250137 [0,2,0,0,0,0|2,0,0]=4 6466 B9R0.1 NC(=O)COCC(S)CS 77cb67c757a8cbe9c08d0589d0c32bb1 [0,2,0,0,0,0|2,0,0]=4 6467 B9R0.1 NC(=O)COC[C@@H](O)CO 09b51a3e6eabb9bb44b99d8e29a364c3 [0,2,0,0,0,0|2,0,0]=4 6468 B9R0.1 NC(=O)COC[C@H](O)CO 987eb7b52c756f8fdc68c5d9ed3f5e23 [0,2,0,0,0,0|2,0,0]=4 6469 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,2,0,0,0,0|2,0,0]=4 6470 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,2,0,0,0,0|2,0,0]=4 6471 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,2,0,0,0,0|2,0,0]=4 6472 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,2,0,0,0,0|2,0,0]=4 6473 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,2,0,0,0,0|2,0,0]=4 6474 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,2,0,0,0,0|2,0,0]=4 6475 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,2,0,0,0,0|2,0,0]=4 6476 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,2,0,0,0,0|2,0,0]=4 6477 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,2,0,0,0,0|2,0,0]=4 6478 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,2,0,0,0,0|2,0,0]=4 6479 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,2,0,0,0,0|2,0,0]=4 6480 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,2,0,0,0,0|2,0,0]=4 6481 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,2,0,0,0,0|2,0,0]=4 6482 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,2,0,0,0,0|2,0,0]=4 6483 B9R0.20 C=CC(C)(C)COCCC 2f45c6229ebf814a2fddeb8a9b5939eb [0,2,0,0,0,0|2,0,0]=4 6484 B9R0.20 C=CCCNC(C)(C)CC 04d2e4ea2bff848d2e6a0111fa120ca3 [0,2,0,0,0,0|2,0,0]=4 6485 B9R0.20 C=CCNCC(C)(C)CC 894efcca7a1b80b1410974d3b7567456 [0,2,0,0,0,0|2,0,0]=4 6486 B9R0.20 C=CCNCC(C)(O)CC 85e19c6eb3153f94aab41246b5b25160 [0,2,0,0,0,0|2,0,0]=4 6487 B9R0.20 C=CCOCC(F)(F)CC c2e69ccd31c40ba1c039f07585daed73 [0,2,0,0,0,0|2,0,0]=4 6488 B9R0.20 CC(C)(C=O)COCCF cf2325f96db95bf62fb113fdcc1a9e26 [0,2,0,0,0,0|2,0,0]=4 6489 B9R0.20 CC(C)(C=O)COCCS 8c0a79bb77632a971a36ecbdcb6e9f8c [0,2,0,0,0,0|2,0,0]=4 6490 B9R0.20 CC(C)(CF)CNCC=O 9420c56149960edf94cef839034b3e6d [0,2,0,0,0,0|2,0,0]=4 6491 B9R0.20 CC(C)(CF)COCC=O 57623922641f29bb34b9fbd573769443 [0,2,0,0,0,0|2,0,0]=4 6492 B9R0.20 CC(C)(CF)NCCC=O 615af167b938af40c7ac99e5f74653b8 [0,2,0,0,0,0|2,0,0]=4 6493 B9R0.20 CC(C)(CO)CNCC=O 0ad48b60e41dc49db5e4579c9cd211d8 [0,2,0,0,0,0|2,0,0]=4 6494 B9R0.20 CC(C)(CO)NCCC=O 58a7c884ad4617bee8444c111fe534fa [0,2,0,0,0,0|2,0,0]=4 6495 B9R0.20 CCC(C)(C)CNCC=O f721a50889065bb75fb42683e37e38aa [0,2,0,0,0,0|1,0,0]=3 6496 B9R0.20 CCC(C)(C)NCCC=O f3a13ad1de383d4eec333a405abb648b [0,2,0,0,0,0|1,0,0]=3 6497 B9R0.20 CCC(C)(O)CNCC=O 23f9f0cd28cdb71bbbf27e532f746e8b [0,2,0,0,0,0|1,0,0]=3 6498 B9R0.20 CCC(F)(F)COCC=O fa8eb0cc2406e09119cc927ab72aab28 [0,2,0,0,0,0|1,0,0]=3 6499 B9R0.20 CCCOCC(C)(C)C=O 3ce894d9dad9d327c3a53b08ab0b66e9 [0,2,0,0,0,0|1,0,0]=3 6500 B9R0.20 CCS(=O)(=O)CCNC=O 1301d6722d81a3f47150af3bddae1c0b [0,2,0,0,0,0|2,0,0]=4 6501 B9R0.20 COC(C)(C)CCNC=O 3445536481f201b517c00a3d73247b2a [0,2,0,0,0,0|2,0,0]=4 6502 B9R0.20 COC(C)(C)CNCC=O 6631fcb7e795690a763a570fb5b587f5 [0,2,0,0,0,0|2,0,0]=4 6503 B9R0.20 COC(C)(C)COCC=O e73fb304b4aedaa32b73cfb426572413 [0,2,0,0,0,0|2,0,0]=4 6504 B9R0.20 COCOCC(C)(C)C=O 8f2a08fa90497cfd06f73cf04407ac0e [0,2,0,0,0,0|2,0,0]=4 6505 B9R0.20 CSCOCC(C)(C)C=O cf364c9248816d6bbbd21ceb4b6f0bcc [0,2,0,0,0,0|2,0,0]=4 6506 B9R0.20 O=CCNCC(F)(F)CO f3fb45de001c817f88d2de2fc5ccf608 [0,2,0,0,0,0|2,0,0]=4 6507 B9R0.20 O=CNCCC(F)(F)CO 390d2cd194cd2f018cf1ed1d6c5bec27 [0,2,0,0,0,0|2,0,0]=4 6508 B9R0.24 C=C(C=O)OCC(C)CC 94076fbb637be2099fefe5bb74ab7631 [0,2,0,0,0,0|1,0,1]=4 6509 B9R0.24 C=C(C=O)OC[C@@H](C)CC c92820c9001e5f184f75d6985b3ac715 [0,2,0,0,0,0|1,0,1]=4 6510 B9R0.24 C=C(C=O)OC[C@H](C)CC acdcdc2ceb58caf2909e400b4e88cdbc [0,2,0,0,0,0|1,0,1]=4 6511 B9R0.24 C=C(CC)COC(C)C=O 7bf05e3c6d94283f0e89750261b9031e [0,2,0,0,0,0|1,0,1]=4 6512 B9R0.24 C=CC(C)COC(C)CC c32ca32440c49b307844964bfdcec3fa [0,2,0,0,0,0|2,0,0]=4 6513 B9R0.24 C=CC(C)NCC(C)CC fe20f45bf5882573a1b68362b8df28de [0,2,0,0,0,0|2,0,0]=4 6514 B9R0.24 C=CC(C)NCC(O)CC a3157a78d0b905ffdee15eb5e168e14f [0,2,0,0,0,0|2,0,0]=4 6515 B9R0.24 C=CC(C)NC[C@@H](C)CC 1e5ccb0fec6029df124fd456ac8e5632 [0,2,0,0,0,0|2,0,0]=4 6516 B9R0.24 C=CC(C)NC[C@H](C)CC 55f054a49b84e81d49b74ebb57f3dee7 [0,2,0,0,0,0|2,0,0]=4 6517 B9R0.24 C=CC(C)NC[C@H](O)CC 130b04f932ad35c738618afb02c8211d [0,2,0,0,0,0|2,0,0]=4 6518 B9R0.24 C=CC(C)OCC(C)CC c0add65e24b120c78bb757c80b1b366f [0,2,0,0,0,0|2,0,0]=4 6519 B9R0.24 C=CC(C)OC[C@@H](C)CC 3dc28a974ae3b1da4f51caa8bfd19440 [0,2,0,0,0,0|2,0,0]=4 6520 B9R0.24 C=CC(C)OC[C@H](C)CC 18159e56f1b5e572330dc73ac44537ff [0,2,0,0,0,0|2,0,0]=4 6521 B9R0.24 C=CC(O)CNC(C)CC ea5dbe4f19a0c85d30995687d6fda584 [0,2,0,0,0,0|2,0,0]=4 6522 B9R0.24 C=C[C@H](C)OCC(C)CC d4fdd930238282ead953f9eb3cededa9 [0,2,0,0,0,0|2,0,0]=4 6523 B9R0.24 C=C[C@H](C)OC[C@@H](C)CC 2b01f611d24ae49c477ec5e85877646d [0,2,0,0,0,0|2,0,0]=4 6524 B9R0.24 C=C[C@H](C)OC[C@H](C)CC 327108a7f2c061e40667dd59884d1895 [0,2,0,0,0,0|2,0,0]=4 6525 B9R0.24 CC(C=O)NCC(Br)CBr c3f16597f0a858cff5e90adb0f556b03 [0,2,0,0,0,0|2,0,0]=4 6526 B9R0.24 CC(C=O)NCC(F)CO f02d91f24e6bb0a8c5bed1ce68297e5b [0,2,0,0,0,0|2,0,0]=4 6527 B9R0.24 CC(C=O)NCC(O)CO 1c464b9be701146b448016f8244f7ac6 [0,2,0,0,0,0|2,0,0]=4 6528 B9R0.24 CC(C=O)NC[C@@H](F)CO 3efc9ec634ff89d593e279648b42374a [0,2,0,0,0,0|2,0,0]=4 6529 B9R0.24 CC(C=O)NC[C@@H](O)CO 4ab97f58eb6e6cdb4f6d339f5ef5e41c [0,2,0,0,0,0|2,0,0]=4 6530 B9R0.24 CC(C=O)NC[C@H](C)CO 84be11b81822ffd313315110ee8b4960 [0,2,0,0,0,0|2,0,0]=4 6531 B9R0.24 CC(C=O)NC[C@H](F)CO 32661fe32e9463acd3f82511a1a92518 [0,2,0,0,0,0|2,0,0]=4 6532 B9R0.24 CC(C=O)NC[C@H](O)CO 06cf7c67537a83f83160b60f8bdca04f [0,2,0,0,0,0|2,0,0]=4 6533 B9R0.24 CC(C=O)OCC(Br)CBr d27b5056cdc2fa7335ef870907bcb9a1 [0,2,0,0,0,0|2,0,0]=4 6534 B9R0.24 CC(C=O)OCC(Cl)CCl ec2420ba5d0aabdf20318396170b54f6 [0,2,0,0,0,0|2,0,0]=4 6535 B9R0.24 CC(C=O)OCC(O)CO ed5f92fa7b275a075c54a38804b89187 [0,2,0,0,0,0|2,0,0]=4 6536 B9R0.24 CC(C=O)OCC(S)CS da93f9d0e580cd66f7046d2121ec7940 [0,2,0,0,0,0|2,0,0]=4 6537 B9R0.24 CC(C=O)OC[C@@H](O)CO 452777ea08af65d0d8472c4a28dcfc73 [0,2,0,0,0,0|2,0,0]=4 6538 B9R0.24 CC(C=O)OC[C@H](O)CO d19390392089e57eb54d7fdbbd341b12 [0,2,0,0,0,0|2,0,0]=4 6539 B9R0.24 CC(CO)CNC(C)C=O 4a83c048d7fd3e1b1edc90a1e00beb11 [0,2,0,0,0,0|2,0,0]=4 6540 B9R0.24 CC(CO)CN[C@H](C)C=O 2c8f14ad2f1285fdd8831a4c07a45382 [0,2,0,0,0,0|2,0,0]=4 6541 B9R0.24 CCC(=O)COC(C)C=O 25411ec14f4db62cb3f86d6a0d4c0dcf [0,2,0,0,0,0|1,0,1]=4 6542 B9R0.24 CCC(=O)CO[C@H](C)C=O aaa9aaa51c81ae4cd49c905b7bd7fd38 [0,2,0,0,0,0|1,0,1]=4 6543 B9R0.24 CCC(C)CNC(=O)C=O 91d514cf28991274b1ca6d31974e5e31 [0,2,0,0,0,0|1,0,1]=4 6544 B9R0.24 CCC(C)CNC(C)C=O 62ad6e2a378b2a7ff0c7a3bfb72f8013 [0,2,0,0,0,0|1,0,0]=3 6545 B9R0.24 CCC(C)CN[C@H](C)C=O 5c0bf9deb92ef3f8c88fc7010ce07878 [0,2,0,0,0,0|1,0,0]=3 6546 B9R0.24 CCC(C)COC(C)C=O 5c5a73b9937517abbe965da0b0e38e6c [0,2,0,0,0,0|1,0,0]=3 6547 B9R0.24 CCC(C)CO[C@H](C)C=O b107a332f74d8f7084cf421a3bcce3bb [0,2,0,0,0,0|1,0,0]=3 6548 B9R0.24 CCC(O)CNC(=O)C=O 589325bffb56b969b1f67eea67c8d0cc [0,2,0,0,0,0|1,0,1]=4 6549 B9R0.24 CCC(O)CNC(C)C=O d1139f75c5402fe75c55947d71a5112b [0,2,0,0,0,0|1,0,0]=3 6550 B9R0.24 CCC(O)CN[C@H](C)C=O 71cc8a32e93871f78a640902506ec821 [0,2,0,0,0,0|1,0,0]=3 6551 B9R0.24 CCN(C)CCN(C)C=O ddad4b260a183e4f87782fed2408c761 [0,2,0,0,0,0|2,0,0]=4 6552 B9R0.24 CC[C@@H](C)COC(C)C=O 5f2a423d5e84e84165cad52616ebe06a [0,2,0,0,0,0|1,0,0]=3 6553 B9R0.24 CC[C@@H](C)CO[C@H](C)C=O 94e3cf2f57eaf39351c0c89797af4a14 [0,2,0,0,0,0|1,0,0]=3 6554 B9R0.24 CC[C@@H](O)CNC(=O)C=O b2c16a451601358949d787dd856420b3 [0,2,0,0,0,0|1,0,1]=4 6555 B9R0.24 CC[C@@H](O)CNC(C)C=O 15630ab34aa0511c3714811a2b8b8303 [0,2,0,0,0,0|1,0,0]=3 6556 B9R0.24 CC[C@@H](O)CN[C@H](C)C=O 26be3d31cd034305ea3c23ed86bbdb05 [0,2,0,0,0,0|1,0,0]=3 6557 B9R0.24 CC[C@H](C)CNC(=O)C=O b152f22fd6d2bdaa800d838b41994c4f [0,2,0,0,0,0|1,0,1]=4 6558 B9R0.24 CC[C@H](C)CNC(C)C=O 812d49fa4c5a73a68e7fcf555a71b1df [0,2,0,0,0,0|1,0,0]=3 6559 B9R0.24 CC[C@H](C)CN[C@H](C)C=O 9b887330b4902a8d43be158458c30884 [0,2,0,0,0,0|1,0,0]=3 6560 B9R0.24 CC[C@H](C)COC(C)C=O 1f3483513eefdafb9d5d2417472574e7 [0,2,0,0,0,0|1,0,0]=3 6561 B9R0.24 CC[C@H](C)CO[C@H](C)C=O 9f77b7292d3150efa78f5831c5171993 [0,2,0,0,0,0|1,0,0]=3 6562 B9R0.24 COC(C)COC(C)C=O 0c982ba0aed91738d0c9238e2c0abd43 [0,2,0,0,0,0|2,0,0]=4 6563 B9R0.24 COC(C)CO[C@H](C)C=O acfffd9b7767dce8385a30a146db689e [0,2,0,0,0,0|2,0,0]=4 6564 B9R0.24 CO[C@@H](C)CNC(C)C=O 2dbeaab87cc1c38d9a52707e629df646 [0,2,0,0,0,0|2,0,0]=4 6565 B9R0.24 CO[C@@H](C)CN[C@H](C)C=O f6af99a87dff6814ae2c16392d570f80 [0,2,0,0,0,0|2,0,0]=4 6566 B9R0.24 CO[C@@H](C)COC(C)C=O bdca863cdeb669ade3e33982e68fdc6d [0,2,0,0,0,0|2,0,0]=4 6567 B9R0.24 CO[C@@H](C)CO[C@H](C)C=O db45ffe3d9c4e7b69d384adc20f21985 [0,2,0,0,0,0|2,0,0]=4 6568 B9R0.24 CO[C@H](C)CNC(C)C=O be7a4a39e7aa48fc0cdd69bbac018628 [0,2,0,0,0,0|2,0,0]=4 6569 B9R0.24 CO[C@H](C)CN[C@H](C)C=O 0bbe6b5fc36e5db0d0c8215f4b512e3b [0,2,0,0,0,0|2,0,0]=4 6570 B9R0.24 CO[C@H](C)COC(C)C=O 3612dc53b4b1045b7f5759f3432096d7 [0,2,0,0,0,0|2,0,0]=4 6571 B9R0.24 CO[C@H](C)CO[C@H](C)C=O 26b95d74c6464d3190fb634c293f51de [0,2,0,0,0,0|2,0,0]=4 6572 B9R0.24 C[C@H](C=O)NCC(Br)CBr 39a8372ffd207bb2cbbdd6b9081dce92 [0,2,0,0,0,0|2,0,0]=4 6573 B9R0.24 C[C@H](C=O)NCC(F)CO a27dbd9ce22ffe29e6a54e7cd565adb3 [0,2,0,0,0,0|2,0,0]=4 6574 B9R0.24 C[C@H](C=O)NCC(O)CO 9b418a25ae5d99be7c29d49b36b7473b [0,2,0,0,0,0|2,0,0]=4 6575 B9R0.24 C[C@H](C=O)NC[C@@H](F)CO 233420c52a237b4d6ca285938892d3e2 [0,2,0,0,0,0|2,0,0]=4 6576 B9R0.24 C[C@H](C=O)NC[C@@H](O)CO f10850996d4f153fdba4327b9168d8c8 [0,2,0,0,0,0|2,0,0]=4 6577 B9R0.24 C[C@H](C=O)NC[C@H](F)CO 7e4ba68fe5b8833ae29409fbd098931c [0,2,0,0,0,0|2,0,0]=4 6578 B9R0.24 C[C@H](C=O)NC[C@H](O)CO c527d6e1cbf9ac95ac27dcbcae3a2e82 [0,2,0,0,0,0|2,0,0]=4 6579 B9R0.24 C[C@H](C=O)OCC(Br)CBr 9aba02039a8f9bd8bd231b61406b97d1 [0,2,0,0,0,0|2,0,0]=4 6580 B9R0.24 C[C@H](C=O)OCC(Cl)CCl 9715695d3f32beec22923315e6e6ee70 [0,2,0,0,0,0|2,0,0]=4 6581 B9R0.24 C[C@H](C=O)OCC(S)CS d41f3872efb19f33232d90d642ac6e5a [0,2,0,0,0,0|2,0,0]=4 6582 B9R0.24 C[C@H](CO)CN[C@H](C)C=O 3d758ea808046d60f494e9c134b04203 [0,2,0,0,0,0|2,0,0]=4 6583 B9R0.47 C=C(CNCCC)C(=O)O cc82fa0972a2a8db8be4ec490c803358 [0,2,0,0,0,0|1,0,1]=4 6584 B9R0.47 C=C(COCCC)C(=O)O 6349e1fecc0027622ab4063869db7ad1 [0,2,0,0,0,0|1,0,1]=4 6585 B9R0.47 C=C(I)[C@H](C)CNCCC cfce1aff3b51edb52ecbc394f78b09b0 [0,2,0,0,0,0|2,0,0]=4 6586 B9R0.47 C=C(I)[C@H](C)COCCC 7ccc91e89ed0d92904c3b8e98bbd8d5a [0,2,0,0,0,0|2,0,0]=4 6587 B9R0.47 C=CCCCN(C)C(C)C 1e91baee2b6efdc20f6b27aac15e1c0d [0,2,0,0,0,0|2,0,0]=4 6588 B9R0.47 C=CCCNC(C)C(C)C 4482061d30dc649af0ecdec4f36d2f05 [0,2,0,0,0,0|2,0,0]=4 6589 B9R0.47 C=CCCNC(C)C(C)O 2d673805b2d3f40269605e567195322e [0,2,0,0,0,0|2,0,0]=4 6590 B9R0.47 C=CCCN[C@@H](C)C(C)C 86be0231371114689e03e2f7bddf99a5 [0,2,0,0,0,0|2,0,0]=4 6591 B9R0.47 C=CCCN[C@H](C)C(C)C 155e1797fa9493470fda7571c06ffead [0,2,0,0,0,0|2,0,0]=4 6592 B9R0.47 C=CCCOC(C)C(C)C 426e0e1a6826fc00ca75f9f91f83b0b7 [0,2,0,0,0,0|2,0,0]=4 6593 B9R0.47 C=CCCOC(C)C(C)S 6ee9b6837c935e9737dfd2c6a0edc497 [0,2,0,0,0,0|2,0,0]=4 6594 B9R0.47 C=CCCO[C@@H](C)C(C)C c40e1d1458f65f831309547cffb325eb [0,2,0,0,0,0|2,0,0]=4 6595 B9R0.47 C=CCCO[C@H](C)C(C)C a5d4d7af3fdecd6ceabc4083b9395429 [0,2,0,0,0,0|2,0,0]=4 6596 B9R0.47 C=CCNCC(O)C(C)C 917f9b5fcae3a52465066cfd51edfd73 [0,2,0,0,0,0|2,0,0]=4 6597 B9R0.47 C=CCOCC(C)C(C)C f4d22548036e3b6d61a129c9e001dfda [0,2,0,0,0,0|2,0,0]=4 6598 B9R0.47 CC(=O)C(C)COCC=O d54d440898f4bb5a1ba49bf3923c568b [0,2,0,0,0,0|1,0,1]=4 6599 B9R0.47 CC(=O)C(C)COCCF d9199bd35eb3a0d86d7196c7edaf28a6 [0,2,0,0,0,0|2,0,0]=4 6600 B9R0.47 CC(=O)C(C)COCCS b5792902c335fbc91a99c92c76f4a3db [0,2,0,0,0,0|2,0,0]=4 6601 B9R0.47 CC(=O)C(C)NCCCCl eda7aa9cc1bea1a5b1053123f010acb1 [0,2,0,0,0,0|2,0,0]=4 6602 B9R0.47 CC(=O)C(C)NCCCO 4f1c0cc14cb97d06145440a0908ade4f [0,2,0,0,0,0|2,0,0]=4 6603 B9R0.47 CC(=O)C(C)OCCC=O c4c6596677726b85cf0e89845c13c144 [0,2,0,0,0,0|1,0,1]=4 6604 B9R0.47 CC(=O)C(C)OCCCF ae1bb5f07026ca335c76712e926bea04 [0,2,0,0,0,0|2,0,0]=4 6605 B9R0.47 CC(=O)C(C)OCCCS 94b5d5985bff151041a96c5eff5a3497 [0,2,0,0,0,0|2,0,0]=4 6606 B9R0.47 CC(=O)N(C)CCCCO 0cdea0fc1398458c07cce2a7b6874e07 [0,2,0,0,0,0|2,0,0]=4 6607 B9R0.47 CC(C)C(C)COCC=O e07e530f2feef9c6c8b549789bb7f200 [0,2,0,0,0,0|1,0,0]=3 6608 B9R0.47 CC(C)C(C)NCCC=O bd21fa3de97652baed327e06ae6e7cec [0,2,0,0,0,0|1,0,0]=3 6609 B9R0.47 CC(C)C(C)OCCC=O 856c90f5a4bd449bf699f754866c5fd2 [0,2,0,0,0,0|1,0,0]=3 6610 B9R0.47 CC(C)C(O)CNCC=O 5813041d763f4e2a8fc6e4baa8d5dd01 [0,2,0,0,0,0|1,0,0]=3 6611 B9R0.47 CC(C)N(C)CCCC=O 6411d8aa4164bc8ea985791a0b547dce [0,2,0,0,0,0|1,0,0]=3 6612 B9R0.47 CC(C)N(C)CCNC=O bb58f902dbff4f9d4b63d746f4928aa4 [0,2,0,0,0,0|2,0,0]=4 6613 B9R0.47 CC(C)[C@@H](C)NCCC=O 22cede0746781cf7ef6c87bff4654631 [0,2,0,0,0,0|1,0,0]=3 6614 B9R0.47 CC(C)[C@@H](C)OCCC=O 3a22511625e066503d1296c1c48da384 [0,2,0,0,0,0|1,0,0]=3 6615 B9R0.47 CC(C)[C@H](C)NCCC=O ec1329221884dd042ab321e18a20baf5 [0,2,0,0,0,0|1,0,0]=3 6616 B9R0.47 CC(C)[C@H](C)OCCC=O e3c821445ac9d3f33c05b8db808d068b [0,2,0,0,0,0|1,0,0]=3 6617 B9R0.47 CC(CCNC=O)N(C)C 4020409b0bacc950ad3a5bbba2c6ee18 [0,2,0,0,0,0|2,0,0]=4 6618 B9R0.47 CC(CNCC=O)N(C)C 5297701f7addf9bfd81d2f86905f15cc [0,2,0,0,0,0|2,0,0]=4 6619 B9R0.47 CC(CNCCBr)C(=O)O c7d1487fde4ea4cc6653ff5635f8ed6d [0,2,0,0,0,0|2,0,0]=4 6620 B9R0.47 CC(CNCCF)C(=O)O 4255c25247e223f121134f538e55471f [0,2,0,0,0,0|2,0,0]=4 6621 B9R0.47 CC(CNCCI)C(=O)O 92baf5147337d51bf46031c8dc51d184 [0,2,0,0,0,0|2,0,0]=4 6622 B9R0.47 CC(CNCCO)C(=O)O 1240dbd52a9116186b4b4b867d423d4f [0,2,0,0,0,0|2,0,0]=4 6623 B9R0.47 CC(CNCCS)C(=O)O 8bec92f1ed20dfa81c8b7d9a96584477 [0,2,0,0,0,0|2,0,0]=4 6624 B9R0.47 CC(COCC=O)N(C)C f746cd466c16c57f5fb0ec70c0ce5f59 [0,2,0,0,0,0|2,0,0]=4 6625 B9R0.47 CC(COCCF)C(=O)O 01ce687756d0dd1ab9f72a0c7b92f276 [0,2,0,0,0,0|2,0,0]=4 6626 B9R0.47 CC(COCCS)C(=O)O 7f379f5afd379c32c0e55dbfb90e0420 [0,2,0,0,0,0|2,0,0]=4 6627 B9R0.47 CC(NCCCCl)C(=O)N f5a98205529afc2d2b7f3e95a53b4a32 [0,2,0,0,0,0|2,0,0]=4 6628 B9R0.47 CC(NCCCCl)C(=O)O 87c1b2f8eb75c9e344e6bd77fe97f7fa [0,2,0,0,0,0|2,0,0]=4 6629 B9R0.47 CC(NCCCF)C(=O)N fec4cc2d89c16cb3b6ed1d6a581bf9fb [0,2,0,0,0,0|2,0,0]=4 6630 B9R0.47 CC(NCCCF)C(=O)O e8e044f4c6f4318f6c04584f0c35c239 [0,2,0,0,0,0|2,0,0]=4 6631 B9R0.47 CC(NCCCO)C(=O)N 5e7d07d625d4dee5ce2af32a1ba9f08c [0,2,0,0,0,0|2,0,0]=4 6632 B9R0.47 CC(NCCCO)C(=O)O 85f38683fe4195dd46b335aca2a1e7a5 [0,2,0,0,0,0|2,0,0]=4 6633 B9R0.47 CC(NCCCS)C(=O)N 09452753cc0b7d5adbc6724ec4843f57 [0,2,0,0,0,0|2,0,0]=4 6634 B9R0.47 CC(NCCCS)C(=O)O 754798345f16a24354356fb98070b0ee [0,2,0,0,0,0|2,0,0]=4 6635 B9R0.47 CC(O)C(C)NCCC=O 7677aade55aed65269904789bb12960a [0,2,0,0,0,0|1,0,0]=3 6636 B9R0.47 CC(OCCC=O)C(F)F 7287b7a9341fa46440b695cceee94b66 [0,2,0,0,0,0|2,0,0]=4 6637 B9R0.47 CC(OCCCF)C(=O)N 115fa6612158c3f5455938cc81967f0c [0,2,0,0,0,0|2,0,0]=4 6638 B9R0.47 CC(OCCCF)C(=O)O ddfcf78dbb1fe50f64d18343e663a33b [0,2,0,0,0,0|2,0,0]=4 6639 B9R0.47 CC(OCCCS)C(=O)N d452490b7dac2324046271c5da09bfcd [0,2,0,0,0,0|2,0,0]=4 6640 B9R0.47 CC(S)C(C)OCCC=O b2dd92e3550ed10dbc7ca2dbd1475bc3 [0,2,0,0,0,0|1,0,0]=3 6641 B9R0.47 CCCCCN(C)C(=O)C 2c74dcf8a8d2f2ed76b3ed946ed64f15 [0,2,0,0,0,0|1,0,0]=3 6642 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [0,2,0,0,0,0|1,0,1]=4 6643 B9R0.47 CCCCNC(=O)C(=O)N b915f31213bcde5e67bb9bcc60169849 [0,2,0,0,0,0|1,0,1]=4 6644 B9R0.47 CCCCNC(C)C(=O)C d47055cc2a147dbd562c227dbc7db49f [0,2,0,0,0,0|1,0,0]=3 6645 B9R0.47 CCCCNC(C)C(=O)N c1d89b7252340bc9da2585b545e036ca [0,2,0,0,0,0|1,0,0]=3 6646 B9R0.47 CCCCNC(C)C(=O)O 5312a5a4ac0d505f773570b1c1dc7471 [0,2,0,0,0,0|1,0,0]=3 6647 B9R0.47 CCCCNC(F)C(=O)N 3ff69ecd1c639241490ed859b671e0fc [0,2,0,0,0,0|1,0,0]=3 6648 B9R0.47 CCCCNC(O)C(=O)O 374139cd4b934cd91b6a9ec96c5a0b99 [0,2,0,0,0,0|1,0,0]=3 6649 B9R0.47 CCCCN[C@@H](C)C(=O)N 6a337a73927e9aeefb9d4f7b78d7ceaa [0,2,0,0,0,0|1,0,0]=3 6650 B9R0.47 CCCCN[C@@H](C)C(=O)O 519d28cb2ff838f7dcf305efd2de1951 [0,2,0,0,0,0|1,0,0]=3 6651 B9R0.47 CCCCN[C@H](C)C(=O)N f7a764574606da7e80ffbc0019505c38 [0,2,0,0,0,0|1,0,0]=3 6652 B9R0.47 CCCCN[C@H](C)C(=O)O cd795f2ef98308f6ebf803867211dca8 [0,2,0,0,0,0|1,0,0]=3 6653 B9R0.47 CCCCOC(C)C(=O)C 3b3363fbf77442cb469e854d17d868a5 [0,2,0,0,0,0|1,0,0]=3 6654 B9R0.47 CCCCOC(C)C(=O)N 93ffcc07fd8ca6c83cba6693932eaa12 [0,2,0,0,0,0|1,0,0]=3 6655 B9R0.47 CCCCOC(C)C(=O)O db49def1ae579c60f3b0671857091689 [0,2,0,0,0,0|1,0,0]=3 6656 B9R0.47 CCCCOC(F)C(=O)N 9f9586d0cf25ed0afb06f8dc8ddcc70c [0,2,0,0,0,0|1,0,0]=3 6657 B9R0.47 CCCCOC(F)C(=O)O 8211b720c423c5874363ee681b819aaa [0,2,0,0,0,0|1,0,0]=3 6658 B9R0.47 CCCCO[C@@H](C)C(=O)N 0aa9ebfb7acab02e489bdc74aacc1a54 [0,2,0,0,0,0|1,0,0]=3 6659 B9R0.47 CCCCO[C@@H](C)C(=O)O cd3f9b9b4a86455f190433fe9f8db5a9 [0,2,0,0,0,0|1,0,0]=3 6660 B9R0.47 CCCCO[C@@H](F)C(=O)O 000616a107be951056a3f838e90d9eca [0,2,0,0,0,0|1,0,0]=3 6661 B9R0.47 CCCCO[C@H](C)C(=O)N 896278da9cdaad47181bea917da86f53 [0,2,0,0,0,0|1,0,0]=3 6662 B9R0.47 CCCCO[C@H](C)C(=O)O e439b368527339689ee28968ccfcc65d [0,2,0,0,0,0|1,0,0]=3 6663 B9R0.47 CCCNCC(=O)C(=O)C 7ba1a39130517d9740af6669e15ee16e [0,2,0,0,0,0|1,0,1]=4 6664 B9R0.47 CCCNCC(=O)C(=O)O 4e1ace0c3acec461be076667f808e14c [0,2,0,0,0,0|1,0,1]=4 6665 B9R0.47 CCCNCC(C)C(=O)O df101b2a4eccba21dd748dca20be9479 [0,2,0,0,0,0|1,0,0]=3 6666 B9R0.47 CCCNCC(F)C(=O)O c424bf5fdad9394b2863cdbd39db5b69 [0,2,0,0,0,0|1,0,0]=3 6667 B9R0.47 CCCNCC(O)C(=O)O 2648cab5ee8c3b07365f1f506b48755c [0,2,0,0,0,0|1,0,0]=3 6668 B9R0.47 CCCNC[C@@H](C)C(=O)O 83ebdb782f465b5108f0a9b96c31c62f [0,2,0,0,0,0|1,0,0]=3 6669 B9R0.47 CCCNC[C@@H](O)C(=O)O 5bb6cbd33c7a84f97677cc53d1e89528 [0,2,0,0,0,0|1,0,0]=3 6670 B9R0.47 CCCNC[C@H](C)C(=O)O b977d522c2650a4380e1fc55b1dfdbae [0,2,0,0,0,0|1,0,0]=3 6671 B9R0.47 CCCNC[C@H](O)C(=O)O 780ad4a9450a1bac8a15804493ca1eef [0,2,0,0,0,0|1,0,0]=3 6672 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [0,2,0,0,0,0|1,0,1]=4 6673 B9R0.47 CCCOCC(=O)C(=O)O 3444cb5fc32d35bbafaf1d62d3b1c125 [0,2,0,0,0,0|1,0,1]=4 6674 B9R0.47 CCCOCC(C)C(=O)C 0fb5e42fbfa851146ec077857c58aebf [0,2,0,0,0,0|1,0,0]=3 6675 B9R0.47 CCCOCC(C)C(=O)O ff2ba4e0a2c279fc884d0931d786ae76 [0,2,0,0,0,0|1,0,0]=3 6676 B9R0.47 CCCOCC(C)[N+](=O)[O-] db21d72aec3850fc4275bc66b95be23d [0,2,0,0,0,0|2,0,0]=4 6677 B9R0.47 CCCOC[C@@H](C)C(=O)O 4a2415868647637e65ed1231682aaac2 [0,2,0,0,0,0|1,0,0]=3 6678 B9R0.47 CCCOC[C@H](C)C(=O)O 706288de414bed30341fbfa56c954104 [0,2,0,0,0,0|1,0,0]=3 6679 B9R0.47 CCNCCC(F)C(=O)O 3e22a7816eb30765d4c29cc51ffeed2c [0,2,0,0,0,0|1,0,0]=3 6680 B9R0.47 CCNCCC(O)C(=O)O fb8274a5700c97b8157ec9912644b4bf [0,2,0,0,0,0|1,0,0]=3 6681 B9R0.47 CCNCC[C@H](O)C(=O)O a43a204ad767fe5fa54ef33d97357dbf [0,2,0,0,0,0|1,0,0]=3 6682 B9R0.47 CCOCCN(C)C(=O)C c8d29d88905c5e96f60d3d2a3a37662d [0,2,0,0,0,0|2,0,0]=4 6683 B9R0.47 CCOCNC(C)C(=O)N b52ad6e565b3151953f0c15e0cab07b1 [0,2,0,0,0,0|2,0,0]=4 6684 B9R0.47 CCOCNC(C)C(=O)O dfe10c13f6592b279307d8e83c8991d9 [0,2,0,0,0,0|2,0,0]=4 6685 B9R0.47 CCOCNC(O)C(=O)O 2eaf68b0120e204516043043fab9491a [0,2,0,0,0,0|2,0,0]=4 6686 B9R0.47 CCOCN[C@@H](C)C(=O)N ff9afba095f222e90e54c3bf8f28d67d [0,2,0,0,0,0|2,0,0]=4 6687 B9R0.47 CCOCN[C@@H](C)C(=O)O f6fed97e3681e72514abbb327f6e55ff [0,2,0,0,0,0|2,0,0]=4 6688 B9R0.47 CCOCN[C@H](C)C(=O)N e8f93eaffd7b1633631d2be6101e20f2 [0,2,0,0,0,0|2,0,0]=4 6689 B9R0.47 CCOCN[C@H](C)C(=O)O 29650a66c22a04835dc99b3cf816f11d [0,2,0,0,0,0|2,0,0]=4 6690 B9R0.47 CCOCOC(C)C(=O)C 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433eb510799659023252bee2e8d31bd7 [0,2,0,0,0,0|2,0,0]=4 6714 B9R0.47 COCNCC(O)C(=O)O decc56ef836464a1b1d19b121be115d1 [0,2,0,0,0,0|2,0,0]=4 6715 B9R0.47 COCNC[C@@H](C)C(=O)O f9dd75e64ded44b26cb7fc01372aa764 [0,2,0,0,0,0|2,0,0]=4 6716 B9R0.47 COCNC[C@@H](O)C(=O)O 59fabaf541e24c1aa9992c1efe450e9c [0,2,0,0,0,0|2,0,0]=4 6717 B9R0.47 COCNC[C@H](C)C(=O)O f14df5e6ad666ce26a46acfb2aeb8f9f [0,2,0,0,0,0|2,0,0]=4 6718 B9R0.47 COCNC[C@H](O)C(=O)O 54c752c4bd35365d5717769acf0c9e27 [0,2,0,0,0,0|2,0,0]=4 6719 B9R0.47 COCOCC(C)C(=O)C 5111f65d6aac961d14927b8b681677d9 [0,2,0,0,0,0|2,0,0]=4 6720 B9R0.47 COCOCC(C)C(=O)O 825d844e04641eb0c67ac1b06f1eb637 [0,2,0,0,0,0|2,0,0]=4 6721 B9R0.47 COCOC[C@@H](C)C(=O)O adaa2caa52dd0ef544a35895f18c3c9a [0,2,0,0,0,0|2,0,0]=4 6722 B9R0.47 COCOC[C@H](C)C(=O)O ea4f1e0e5bcf519933f11891eb54bc8e [0,2,0,0,0,0|2,0,0]=4 6723 B9R0.47 CSCCNC(C)C(=O)C 905a95c67bd090f2ba46188b2adb1eb3 [0,2,0,0,0,0|2,0,0]=4 6724 B9R0.47 CSCCNC(C)C(=O)N e804873b6a92637874634afd64e5ef62 [0,2,0,0,0,0|2,0,0]=4 6725 B9R0.47 CSCCNC(C)C(=O)O 60bf705794e4408180812a2ae158d2d2 [0,2,0,0,0,0|2,0,0]=4 6726 B9R0.47 CSCCNC(F)C(=O)N 70200b1a0dfb9267a20789e5310f3a09 [0,2,0,0,0,0|2,0,0]=4 6727 B9R0.47 CSCCNC(O)C(=O)O f10f77c5a3f9d790e93ba445a5bd3946 [0,2,0,0,0,0|2,0,0]=4 6728 B9R0.47 CSCCN[C@@H](C)C(=O)N 5e689da59ebdc470989359da3bfaf697 [0,2,0,0,0,0|2,0,0]=4 6729 B9R0.47 CSCCN[C@@H](C)C(=O)O 01615809f663430a5a6648f5d5b73079 [0,2,0,0,0,0|2,0,0]=4 6730 B9R0.47 CSCCN[C@H](C)C(=O)N af21717b404825c5b32921c8eebaf612 [0,2,0,0,0,0|2,0,0]=4 6731 B9R0.47 CSCCN[C@H](C)C(=O)O aa9133372803438b2121e5a4bcc4b30f [0,2,0,0,0,0|2,0,0]=4 6732 B9R0.47 CSCCOC(C)C(=O)C b8905035aa4f1e09e6441486d0e4cab4 [0,2,0,0,0,0|2,0,0]=4 6733 B9R0.47 CSCCOC(C)C(=O)N b9dcf40ae5c04d63a416ed7dc7d96345 [0,2,0,0,0,0|2,0,0]=4 6734 B9R0.47 CSCCOC(C)C(=O)O 7b056b3e548abb94964af17236ce4835 [0,2,0,0,0,0|2,0,0]=4 6735 B9R0.47 CSCCOC(F)C(=O)N 40335cd4cbffca273ca1cb5a7a246a96 [0,2,0,0,0,0|2,0,0]=4 6736 B9R0.47 CSCCO[C@@H](C)C(=O)N ad8428c7b38eac0ccb3893f8012b3d88 [0,2,0,0,0,0|2,0,0]=4 6737 B9R0.47 CSCCO[C@@H](C)C(=O)O a461cacb6f24ab66f4b4b675fdf36e50 [0,2,0,0,0,0|2,0,0]=4 6738 B9R0.47 CSCCO[C@H](C)C(=O)N e76441c819af2e7b766e8c0d14e48c66 [0,2,0,0,0,0|2,0,0]=4 6739 B9R0.47 CSCCO[C@H](C)C(=O)O 4ef0eee61363938af1f7ba8295e247ad [0,2,0,0,0,0|2,0,0]=4 6740 B9R0.47 CSCNCC(C)C(=O)O 1ff0a35570388c74932f94248d4ac666 [0,2,0,0,0,0|2,0,0]=4 6741 B9R0.47 CSCNCC(F)C(=O)O cb13c5860554711783b8c5c1d4a35d92 [0,2,0,0,0,0|2,0,0]=4 6742 B9R0.47 CSCNCC(O)C(=O)O f60102e935f50b1b60cb2bed2764d7db [0,2,0,0,0,0|2,0,0]=4 6743 B9R0.47 CSCNC[C@@H](C)C(=O)O 52fc234e46b891500028d9b0ed33eb9c [0,2,0,0,0,0|2,0,0]=4 6744 B9R0.47 CSCNC[C@@H](O)C(=O)O e41f4e9a1f8675b7ff106d3a130bbeee [0,2,0,0,0,0|2,0,0]=4 6745 B9R0.47 CSCNC[C@H](C)C(=O)O e48d1d0c8457da10f5ebd04a236eed5a [0,2,0,0,0,0|2,0,0]=4 6746 B9R0.47 CSCNC[C@H](O)C(=O)O b925b952f19a973d8a63427b76b36db3 [0,2,0,0,0,0|2,0,0]=4 6747 B9R0.47 CSCOCC(C)C(=O)C 81e7c36e12f3dfb3e636e112eb379682 [0,2,0,0,0,0|2,0,0]=4 6748 B9R0.47 CSCOCC(C)C(=O)O fdc02bbb43502f5c97aa6cc131ca3e7b [0,2,0,0,0,0|2,0,0]=4 6749 B9R0.47 CSCOC[C@@H](C)C(=O)O f78b2b8375299d81220e5cc7d9e3dbfe [0,2,0,0,0,0|2,0,0]=4 6750 B9R0.47 CSCOC[C@H](C)C(=O)O bcff4cb87e281e7aed01590d3e181462 [0,2,0,0,0,0|2,0,0]=4 6751 B9R0.47 C[C@@H](CCNC=O)N(C)C ed987bcfe6e561bb85fd46610fb31bc2 [0,2,0,0,0,0|2,0,0]=4 6752 B9R0.47 C[C@@H](CNCCF)C(=O)O 757260ffee4b9173cbce3c789f17745b [0,2,0,0,0,0|2,0,0]=4 6753 B9R0.47 C[C@@H](CNCCO)C(=O)O aef019050d33774a670561fe56b1e9c9 [0,2,0,0,0,0|2,0,0]=4 6754 B9R0.47 C[C@@H](CNCCS)C(=O)O 45b16f8a63ff0b189fbdfd15250207c3 [0,2,0,0,0,0|2,0,0]=4 6755 B9R0.47 C[C@@H](COCC=O)N(C)C 4efd5f3e16df7bdc78d83760a82a851a [0,2,0,0,0,0|2,0,0]=4 6756 B9R0.47 C[C@@H](COCCF)C(=O)O 669c921fce0e06bd678115eebc8c85f7 [0,2,0,0,0,0|2,0,0]=4 6757 B9R0.47 C[C@@H](COCCS)C(=O)O dae5bc031e98558fade7cf9c9693a59f [0,2,0,0,0,0|2,0,0]=4 6758 B9R0.47 C[C@@H](NCCC=O)C(F)F a84c8c99e1ce5974728fb6ed6f0a4102 [0,2,0,0,0,0|2,0,0]=4 6759 B9R0.47 C[C@@H](NCCCCl)C(=O)N a2eff65fff2e3dcb159d366e8b7c4ef6 [0,2,0,0,0,0|2,0,0]=4 6760 B9R0.47 C[C@@H](NCCCCl)C(=O)O a6a0f8f4d4b6f3207dad245c45161e73 [0,2,0,0,0,0|2,0,0]=4 6761 B9R0.47 C[C@@H](NCCCF)C(=O)N c558c79c44e8194152f0b2e9df48b71a [0,2,0,0,0,0|2,0,0]=4 6762 B9R0.47 C[C@@H](NCCCF)C(=O)O b39375a1f674e88f2c3f5aa0ee7dc2a6 [0,2,0,0,0,0|2,0,0]=4 6763 B9R0.47 C[C@@H](NCCCO)C(=O)N dec2e61899960e817b49c7dcb5366437 [0,2,0,0,0,0|2,0,0]=4 6764 B9R0.47 C[C@@H](NCCCO)C(=O)O c8d943c08754c016f5adf50e8e84f40c [0,2,0,0,0,0|2,0,0]=4 6765 B9R0.47 C[C@@H](NCCCS)C(=O)N c4aa9670b581e1ec555871f050b8de78 [0,2,0,0,0,0|2,0,0]=4 6766 B9R0.47 C[C@@H](NCCCS)C(=O)O d084c98d8f8ea928c73e28584055ca5c [0,2,0,0,0,0|2,0,0]=4 6767 B9R0.47 C[C@@H](OCCCF)C(=O)N 1040e2c14b400ce45c7c06b9f0579e56 [0,2,0,0,0,0|2,0,0]=4 6768 B9R0.47 C[C@@H](OCCCF)C(=O)O a8c18e800a5a23d1f1971078ddf7ebda [0,2,0,0,0,0|2,0,0]=4 6769 B9R0.47 C[C@@H](OCCCS)C(=O)N 2493bed2ecd6795582e1bf57f490a468 [0,2,0,0,0,0|2,0,0]=4 6770 B9R0.47 C[C@H](CCNC=O)N(C)C 3b6ce7bd261488bbd5a6415404d042f9 [0,2,0,0,0,0|2,0,0]=4 6771 B9R0.47 C[C@H](CNCCF)C(=O)O 4340086171eb5cd6535ef3a219dc3758 [0,2,0,0,0,0|2,0,0]=4 6772 B9R0.47 C[C@H](CNCCO)C(=O)O 31b14c6f1bcc278cf7469081e7aa9229 [0,2,0,0,0,0|2,0,0]=4 6773 B9R0.47 C[C@H](CNCCS)C(=O)O 63087b39c7edb2644f0780996f2b6fd1 [0,2,0,0,0,0|2,0,0]=4 6774 B9R0.47 C[C@H](COCC=O)N(C)C c1adbe937236ee048eba63c63e139f27 [0,2,0,0,0,0|2,0,0]=4 6775 B9R0.47 C[C@H](COCCF)C(=O)O 01b65224eebbd4f1edd7aef24e90fab9 [0,2,0,0,0,0|2,0,0]=4 6776 B9R0.47 C[C@H](COCCS)C(=O)O 11c95f2941d4973124e2e18e075d4c11 [0,2,0,0,0,0|2,0,0]=4 6777 B9R0.47 C[C@H](NCCC=O)C(F)F 3e931206c1e44a2ed569c8ac70cf20c8 [0,2,0,0,0,0|2,0,0]=4 6778 B9R0.47 C[C@H](NCCCCl)C(=O)N 84bb8b46414ae7fe5d4fb03c56642131 [0,2,0,0,0,0|2,0,0]=4 6779 B9R0.47 C[C@H](NCCCCl)C(=O)O 87153e4a57ba8429a20364e258186ae9 [0,2,0,0,0,0|2,0,0]=4 6780 B9R0.47 C[C@H](NCCCF)C(=O)N 1158bbccb7c298a92b976114c2776f67 [0,2,0,0,0,0|2,0,0]=4 6781 B9R0.47 C[C@H](NCCCF)C(=O)O 455f51c1bc6306b88a3c27de650423be [0,2,0,0,0,0|2,0,0]=4 6782 B9R0.47 C[C@H](NCCCO)C(=O)N ab4eaaed3ec2e397e888b8dc6d6412ce [0,2,0,0,0,0|2,0,0]=4 6783 B9R0.47 C[C@H](NCCCO)C(=O)O dbe202cded99362dfc45aa71c39b7eb5 [0,2,0,0,0,0|2,0,0]=4 6784 B9R0.47 C[C@H](NCCCS)C(=O)N 1ae5df7a2611d29a2d013564696d0238 [0,2,0,0,0,0|2,0,0]=4 6785 B9R0.47 C[C@H](NCCCS)C(=O)O bd56693ec2b9ed459b50dfc13b1f4492 [0,2,0,0,0,0|2,0,0]=4 6786 B9R0.47 C[C@H](OCCCF)C(=O)N 4fa038794a5490bedbf3ae6819d466c5 [0,2,0,0,0,0|2,0,0]=4 6787 B9R0.47 C[C@H](OCCCF)C(=O)O 025d1de81ef19c2829e9c715489ed779 [0,2,0,0,0,0|2,0,0]=4 6788 B9R0.47 C[C@H](OCCCS)C(=O)N 1e5babef798c8356e10c6643dabc8161 [0,2,0,0,0,0|2,0,0]=4 6789 B9R0.47 NC(=O)C(F)NCCCCl 0c8e54ce08e3b06e4c6f3161d390d0fb [0,2,0,0,0,0|2,0,0]=4 6790 B9R0.47 NC(=O)C(F)NCCCO c613bc210b55d58d0d1d9786d615f6b7 [0,2,0,0,0,0|2,0,0]=4 6791 B9R0.47 NC(=O)C(F)OCCCF 8243d678e6f4b360316037515117cebd [0,2,0,0,0,0|2,0,0]=4 6792 B9R0.47 NC(=O)C(F)OCCCS 97ba0031943eefb90621e91fb7779a04 [0,2,0,0,0,0|2,0,0]=4 6793 B9R0.47 O=C(O)C(F)CCNCF 2abb8d1fe88b0111fdbfb97f08985175 [0,2,0,0,0,0|2,0,0]=4 6794 B9R0.47 O=C(O)C(F)CCNCO 1c16d4233a720ae5a11c0b544d4e8538 [0,2,0,0,0,0|2,0,0]=4 6795 B9R0.47 O=C(O)C(F)CNCCF bc27c59f49d09f14551c721c4213d464 [0,2,0,0,0,0|2,0,0]=4 6796 B9R0.47 O=C(O)C(F)CNCCO 597c59dba8debc3a750f38fb05b95366 [0,2,0,0,0,0|2,0,0]=4 6797 B9R0.47 O=C(O)C(F)CNCCS 256baf77c4e810fe87f77ab9eb17e3a1 [0,2,0,0,0,0|2,0,0]=4 6798 B9R0.47 O=C(O)C(O)CCNCF 978e7a242bdd10f5361f85f00f74a696 [0,2,0,0,0,0|2,0,0]=4 6799 B9R0.47 O=C(O)C(O)CCNCO 2ba2720a3da106e551885ac55efe3c3c [0,2,0,0,0,0|2,0,0]=4 6800 B9R0.47 O=C(O)C(O)CNCCF 892296d858aed3a8b2bdced17cb03706 [0,2,0,0,0,0|2,0,0]=4 6801 B9R0.47 O=C(O)C(O)CNCCI 551ce46f1a6c4059d0ddf6cb67a2a002 [0,2,0,0,0,0|2,0,0]=4 6802 B9R0.47 O=C(O)C(O)CNCCO d2bf09f48377f15f821580767e3429b2 [0,2,0,0,0,0|2,0,0]=4 6803 B9R0.47 O=C(O)C(O)CNCCS 7a001e29e68c999b97b9febbdf61354a [0,2,0,0,0,0|2,0,0]=4 6804 B9R0.47 O=C(O)C(O)NCCCF d198fc87f8a140da8525b1f899a1d113 [0,2,0,0,0,0|2,0,0]=4 6805 B9R0.47 O=C(O)C(O)NCCCO 1964c40dd265d0751cbf6e9db2c18a82 [0,2,0,0,0,0|2,0,0]=4 6806 B9R0.47 O=C(O)C(O)NCCCS 280cf89800f0c0fb2f6939e643e90d8e [0,2,0,0,0,0|2,0,0]=4 6807 B9R0.47 O=C(O)[C@@H](O)CCNCF 752ab70d2be40a9c9af5bd04c1064498 [0,2,0,0,0,0|2,0,0]=4 6808 B9R0.47 O=C(O)[C@@H](O)CCNCO 6291bbc1a4f2e1ea1f5c3bc5f4667f5f [0,2,0,0,0,0|2,0,0]=4 6809 B9R0.47 O=C(O)[C@@H](O)CNCCF 1f722cb60445ae222b0c65467451da98 [0,2,0,0,0,0|2,0,0]=4 6810 B9R0.47 O=C(O)[C@@H](O)CNCCI 10f6f5e94768506bcf731ced65012583 [0,2,0,0,0,0|2,0,0]=4 6811 B9R0.47 O=C(O)[C@@H](O)CNCCO cb0c725a39540e509a82a31572e081bf [0,2,0,0,0,0|2,0,0]=4 6812 B9R0.47 O=C(O)[C@@H](O)CNCCS 3c37a51c4462b5737c9d42367d0b82fa [0,2,0,0,0,0|2,0,0]=4 6813 B9R0.47 O=C(O)[C@H](O)CNCCF ffdf19b8b8a4a72db66db50281457bde [0,2,0,0,0,0|2,0,0]=4 6814 B9R0.47 O=C(O)[C@H](O)CNCCO ffc079c1bb43161077e31f96585637b4 [0,2,0,0,0,0|2,0,0]=4 6815 B9R0.47 O=C(O)[C@H](O)CNCCS aac0d2989cac0e7da0faa02ccf107405 [0,2,0,0,0,0|2,0,0]=4 6816 B9R0.47 O=CCNCC(O)C(F)F c58f5192bfc9f3554a7b434665f83eb9 [0,2,0,0,0,0|2,0,0]=4 6817 B9R0.50 C#CC(C=C)OCCCC 6aa5cee7815f4f11200d208342bd1db0 [0,2,0,0,0,0|2,0,0]=4 6818 B9R0.50 C#CC(CC)OCCC=C 675c29241bd639fda73b2e6f92f054e2 [0,2,0,0,0,0|2,0,0]=4 6819 B9R0.50 C#CC(CC)OCCC=O a85f68f0bc7e29bf57485511610332ef [0,2,0,0,0,0|1,0,0]=3 6820 B9R0.50 C=CC(C=C)OCCCC ab7cd24288c143103860d36be86b3b7a [0,2,0,0,0,0|2,0,0]=4 6821 B9R0.50 C=CC(CC)OCCC=O 245b52fb9da0542a99dcde22cfc8baa1 [0,2,0,0,0,0|1,0,0]=3 6822 B9R0.50 C=CC(CC)OCCCC c4ab6fc8dfc087891ae2542a53a4d2d9 [0,2,0,0,0,0|2,0,0]=4 6823 B9R0.50 C=CCCNC(C=O)CC 88fb7fc74d4ffa1dd95483cbe964fddc [0,2,0,0,0,0|2,0,0]=4 6824 B9R0.50 C=CCCNC(CC)CC 06c0104cd102cc1579a8b2ddf37724c6 [0,2,0,0,0,0|2,0,0]=4 6825 B9R0.50 C=CCCNC(CC)CO 19c4423fc0d0ab7608a7c0639325da73 [0,2,0,0,0,0|2,0,0]=4 6826 B9R0.50 C=CCCN[C@@H](CC)CO dc12191708b6e93f4128b7d14199bbb0 [0,2,0,0,0,0|2,0,0]=4 6827 B9R0.50 C=CCCN[C@H](CC)CO 517c7305f2d2c33d915740c9c989fb30 [0,2,0,0,0,0|2,0,0]=4 6828 B9R0.50 C=CCCOC(C#N)CC a2d7267ad8e1d8daf4349899349be219 [0,2,0,0,0,0|2,0,0]=4 6829 B9R0.50 C=CCCOC(C=C)CC bd98f31ef6862176b7c2a613eca8231b [0,2,0,0,0,0|2,0,0]=4 6830 B9R0.50 C=CCCOC(C=O)CC bb56ab03b94fb70c2ef5fecf3acee9ba [0,2,0,0,0,0|2,0,0]=4 6831 B9R0.50 C=CCCOC(CC)CC 7846276a380e5727e38384b1117dad76 [0,2,0,0,0,0|2,0,0]=4 6832 B9R0.50 C=CCNCC(CC)CC 0575799fa26f55e4077f75b9482782c5 [0,2,0,0,0,0|2,0,0]=4 6833 B9R0.50 C=CCNCC(CC)CO 0b8ae003389ba7786a3533c7496696b3 [0,2,0,0,0,0|2,0,0]=4 6834 B9R0.50 C=CCOCC(CC)CC 758b74ff931dbc6b07e614ed0b7daad2 [0,2,0,0,0,0|2,0,0]=4 6835 B9R0.50 C=CCOCC(CC)OC 7ff7ef784f504d3038f821cefe03570d [0,2,0,0,0,0|2,0,0]=4 6836 B9R0.50 C=C[C@@H](CO)NCCC=O ac3858809024734f2ed0c7359e4c27ee [0,2,0,0,0,0|2,0,0]=4 6837 B9R0.50 C=C[C@@H](CO)NCCCC 78ae346201d1dc8c2a1c0e27f5d81a49 [0,2,0,0,0,0|2,0,0]=4 6838 B9R0.50 CCC(C#N)OCCC=O 64247bad86a1e5f0a3f438725732ed93 [0,2,0,0,0,0|1,0,0]=3 6839 B9R0.50 CCC(C=O)NCCCCl 7655b7204f3fc951221e75c8855f70b1 [0,2,0,0,0,0|2,0,0]=4 6840 B9R0.50 CCC(C=O)NCCCO 7114e8a20f5b57955f2b3c6ae3807508 [0,2,0,0,0,0|2,0,0]=4 6841 B9R0.50 CCC(C=O)NCCOC 51202fc24112e058d1efc429be3c4de7 [0,2,0,0,0,0|2,0,0]=4 6842 B9R0.50 CCC(C=O)NCCSC 523893d38d6c6c97e917442488ac314c [0,2,0,0,0,0|2,0,0]=4 6843 B9R0.50 CCC(C=O)OCCC=O 0d40cbc122613e23525f77d36df3c914 [0,2,0,0,0,0|1,0,0]=3 6844 B9R0.50 CCC(C=O)OCCCF b4d2ad23f717620fbb89113cf8433238 [0,2,0,0,0,0|2,0,0]=4 6845 B9R0.50 CCC(C=O)OCCCS ab315594c9f74c32affe7d4800d3825b [0,2,0,0,0,0|2,0,0]=4 6846 B9R0.50 CCC(C=O)OCCOC 306abaf13c5f8136de1f191dfc93d423 [0,2,0,0,0,0|2,0,0]=4 6847 B9R0.50 CCC(C=O)OCCSC 8780cba04cd3e16c25c511f3ea76bd12 [0,2,0,0,0,0|2,0,0]=4 6848 B9R0.50 CCC(CC)CCNC=O 85dadcc52ed38a46427235905021937b [0,2,0,0,0,0|1,0,0]=3 6849 B9R0.50 CCC(CC)CNCC=O becd53820415e61f43480db084e0f906 [0,2,0,0,0,0|1,0,0]=3 6850 B9R0.50 CCC(CC)COCC=O a277911e57163961f14311345df54ee8 [0,2,0,0,0,0|1,0,0]=3 6851 B9R0.50 CCC(CC)NCCC=O 66bdcc5d5ebb4f950c2eddf0938a60f6 [0,2,0,0,0,0|1,0,0]=3 6852 B9R0.50 CCC(CC)OCCC=O 042de33a391f6e76c931b17bee76285c [0,2,0,0,0,0|1,0,0]=3 6853 B9R0.50 CCC(CO)CNCC=O 28b44af96ed45373e904d1277886b4ba [0,2,0,0,0,0|1,0,0]=3 6854 B9R0.50 CCC(CO)NCCC=O 06c585af894ec8d8b3e6123b416a6377 [0,2,0,0,0,0|1,0,0]=3 6855 B9R0.50 CCC(COCC=O)OC 5e0329fbe38cbae44b9b343b913ffc64 [0,2,0,0,0,0|1,0,0]=3 6856 B9R0.50 CCCCNC(C#N)C=O 00b1665ae09d0973c7033c681cb341c0 [0,2,0,0,0,0|1,0,0]=3 6857 B9R0.50 CCCCNC(C=O)C=O 63540bca94a0be06aa8526b5a5000aa6 [0,2,0,0,0,0|1,0,0]=3 6858 B9R0.50 CCCCNC(C=O)CC 774ffd452d5f55c10b198ec0d6ccc481 [0,2,0,0,0,0|1,0,0]=3 6859 B9R0.50 CCCCOC(C=O)C=O 71af65ac7e054dcce5db17c58539e1ee [0,2,0,0,0,0|1,0,0]=3 6860 B9R0.50 CCCCOC(C=O)CC a489a1c0e4d8ef9f526827c78fe09c6d [0,2,0,0,0,0|1,0,0]=3 6861 B9R0.50 CCN(C=O)CCCCO 896c8ac6f073a59bbf85b1278bba30de [0,2,0,0,0,0|2,0,0]=4 6862 B9R0.50 CCN(C=O)CCCOC b7b16cfedbda674de10c94d6ca2bd75f [0,2,0,0,0,0|2,0,0]=4 6863 B9R0.50 CCN(CC)CCNC=O f590035fe73226c5d3c98fcac7de9d10 [0,2,0,0,0,0|2,0,0]=4 6864 B9R0.50 CCN(CC)COCC=O 97c9ad83c848bf92c770d80e602dd42d [0,2,0,0,0,0|2,0,0]=4 6865 B9R0.50 CCOCCN(C=O)CC eb3480f5c05b7016e9622312387acbc9 [0,2,0,0,0,0|2,0,0]=4 6866 B9R0.50 CC[C@@H](CO)NCCC=O 51253cf225e934ed98e3d5b9debec1e7 [0,2,0,0,0,0|1,0,0]=3 6867 B9R0.50 CC[C@H](CO)NCCC=O 9810cb01bdc5c3e1d96e4ae12e2e8263 [0,2,0,0,0,0|1,0,0]=3 6868 B9R0.50 COC(CCNC=O)OC f09178780228e55a9e5a44875a90cc22 [0,2,0,0,0,0|2,0,0]=4 6869 B9R0.50 COC(CNCC=O)OC 8c5dc234f11f5e0a6f933a5fa01d8dce [0,2,0,0,0,0|2,0,0]=4 6870 B9R0.50 COC(COCC=O)OC c1d798c35b21274d50f912b93ea30b42 [0,2,0,0,0,0|2,0,0]=4 6871 B9R0.50 COCCNC(C#N)C=O 32adba4ee965f8966112ac7d66ac2ec7 [0,2,0,0,0,0|2,0,0]=4 6872 B9R0.50 COCCNC(C=O)C=O 8c1bb66a9f9d42dcb3f671b9a986e701 [0,2,0,0,0,0|2,0,0]=4 6873 B9R0.50 COCCOC(C=O)C=O a66e2b76635fea83cd6a59e263277c04 [0,2,0,0,0,0|2,0,0]=4 6874 B9R0.50 CO[C@@H](CO)CNCC=O ab73340113eab417f5bf373433673ac8 [0,2,0,0,0,0|2,0,0]=4 6875 B9R0.50 CSCCNC(C#N)C=O a6caa3e79c38989ca3b6751603250a78 [0,2,0,0,0,0|2,0,0]=4 6876 B9R0.50 CSCCNC(C=O)C=O ead5132555105089b93fad8d29fef679 [0,2,0,0,0,0|2,0,0]=4 6877 B9R0.50 CSCCOC(C=O)C=O 299b6e47c1ef4053e5d7db0fb37e5dd7 [0,2,0,0,0,0|2,0,0]=4 6878 B9R0.50 N#CC(C=O)NCCCCl aeee4bc2cf46067d38f0eb9579cf3f05 [0,2,0,0,0,0|2,0,0]=4 6879 B9R0.50 N#CC(C=O)NCCCO 730891c98fdb93b763202029ace8d097 [0,2,0,0,0,0|2,0,0]=4 6880 B9R0.50 N#CC(C=O)OCCCF 0d91e326217e49459b68b496f45ea100 [0,2,0,0,0,0|2,0,0]=4 6881 B9R0.50 O=CC(C=O)NCCCCl a2dc43d8ea8acc545d76eb08d7a1563e [0,2,0,0,0,0|2,0,0]=4 6882 B9R0.50 O=CC(C=O)NCCCO 812a465fa14b2d443d746f6b2da33049 [0,2,0,0,0,0|2,0,0]=4 6883 B9R0.50 O=CC(C=O)OCCCF 7f978cae44af5c8702855d5cb4670717 [0,2,0,0,0,0|2,0,0]=4 6884 B9R0.50 O=CC(C=O)OCCCS 61be91d9dfeb87264b6f155900fae15d [0,2,0,0,0,0|2,0,0]=4 6885 B9R0.50 O=CCCNC(CO)CO 10f03ff7daee60b5239dd40ca3fc3844 [0,2,0,0,0,0|2,0,0]=4 6886 B9R0.50 O=CCCOC(CBr)CBr aaaa3990a29f340ee6b207b95079345e [0,2,0,0,0,0|2,0,0]=4 6887 B9R0.50 O=CCCOC(CCl)CBr e2d7abb2b2b65a6c503682bb579609cf [0,2,0,0,0,0|2,0,0]=4 6888 B9R0.50 O=CCCOC(CCl)CCl eb898ed5b85ee02e4e82f4c6b80cfc5c [0,2,0,0,0,0|2,0,0]=4 6889 B9R0.50 O=CCCOC(CF)CF b576af0393ffb6628fa3fd72b6a30d68 [0,2,0,0,0,0|2,0,0]=4 6890 B9R0.50 O=CCCOC(CO)CO b30ee6e480374324cd97a5cd96ee955b [0,2,0,0,0,0|2,0,0]=4 6891 B9R0.50 O=CCCO[C@@H](CCl)CI a3203f5a0cd4f3ded4430cfaf3472e5a [0,2,0,0,0,0|2,0,0]=4 6892 B9R0.50 O=CCCO[C@H](CCl)CI 8028ffa03b31e66934a9ebe7344eb1e7 [0,2,0,0,0,0|2,0,0]=4 6893 B9R0.50 O=CCNCC(CO)CO 073be3736c94bf3e77b7a7747f4e4e27 [0,2,0,0,0,0|2,0,0]=4 6894 B9R0.50 O=CCOCC(CBr)CBr 3e17586c7023e21b306d4978adae50ec [0,2,0,0,0,0|2,0,0]=4 6895 B9R0.50 O=CNCCC(CO)CO 4fce76eb0c0b9bad1d3fb34040ba55c9 [0,2,0,0,0,0|2,0,0]=4 6896 B9R0.38 C=CCCCNC(C)(C)C b72ad68551801dc890f670890a0776a6 [0,2,0,0,0,0|2,0,0]=4 6897 B9R0.38 C=CCCNCC(C)(C)C ff456b993fe4edb478601899d4616284 [0,2,0,0,0,0|2,0,0]=4 6898 B9R0.38 C=CCCNCC(C)(C)F 844959c673db7ccf40c9317257bffe84 [0,2,0,0,0,0|2,0,0]=4 6899 B9R0.38 C=CCCNCC(C)(C)O 1085ac3801c63ddae4fe15cec1ce9da0 [0,2,0,0,0,0|2,0,0]=4 6900 B9R0.38 C=CCCNCC(C)(F)F f2d8dadfc7e116c2ed83df77ec9a735a [0,2,0,0,0,0|2,0,0]=4 6901 B9R0.38 C=CCCOCC(C)(C)Br 326bc28efbb6b90a29ed13baeffa5860 [0,2,0,0,0,0|2,0,0]=4 6902 B9R0.38 C=CCCOCC(C)(C)C a421c7a43cf529cdda4ff05cefa9bf31 [0,2,0,0,0,0|2,0,0]=4 6903 B9R0.38 C=CCCOCC(C)(C)F 125bd46159a0d33cfd757d329f55e73d [0,2,0,0,0,0|2,0,0]=4 6904 B9R0.38 C=CCCOCC(C)(C)O 84d5dbc9d4436844382e56fa064e5adf [0,2,0,0,0,0|2,0,0]=4 6905 B9R0.38 C=CCCOCC(C)(C)S 94a9acb3f485ac749c07ddc7c1a8b51e [0,2,0,0,0,0|2,0,0]=4 6906 B9R0.38 C=CCCOCC(C)(F)F c71a3f4e4e5c81666cb6b5169eefbb4e [0,2,0,0,0,0|2,0,0]=4 6907 B9R0.38 C=CCNCCC(C)(C)C bd175b55aaa7303b6dba9363278df148 [0,2,0,0,0,0|2,0,0]=4 6908 B9R0.38 C=CCNCCC(C)(C)F 682f678cbc3539481266b8b5753dee8a [0,2,0,0,0,0|2,0,0]=4 6909 B9R0.38 C=CCNCCC(C)(C)O 830b73d0a057b8f2c4d319d4c2f4b4cb [0,2,0,0,0,0|2,0,0]=4 6910 B9R0.38 C=CCOCCC(C)(C)C 5c21b38c90880fba75ee0385d797226f [0,2,0,0,0,0|2,0,0]=4 6911 B9R0.38 C=CCOCCC(C)(C)S eafa2430be3aca9e8cdc10b78896973c [0,2,0,0,0,0|2,0,0]=4 6912 B9R0.38 C=CCOCCC(C)(F)F 0073c11f26503c3e9cd5e0e9814b9efe [0,2,0,0,0,0|2,0,0]=4 6913 B9R0.38 CC(C)(Br)COCCC=O 07bc544fb75d5711f89e4b858dc60cdd [0,2,0,0,0,0|1,0,0]=3 6914 B9R0.38 CC(C)(C)CCCNC=O ab087813a9043c3bd7763182d5f2cfc6 [0,2,0,0,0,0|1,0,0]=3 6915 B9R0.38 CC(C)(C)CCNCC=O b11b4c41361fc6d47b277f6a5fd01279 [0,2,0,0,0,0|1,0,0]=3 6916 B9R0.38 CC(C)(C)CCOCC=O 2359e92f971759a4c5237c904bc4f9f8 [0,2,0,0,0,0|1,0,0]=3 6917 B9R0.38 CC(C)(C)CNCCC=O 2b934ca9e0fcdd30551e2ea5cfb56f2b [0,2,0,0,0,0|1,0,0]=3 6918 B9R0.38 CC(C)(C)COCCC=O 797f41e3c995e4fb70bf8fa922cb7cec [0,2,0,0,0,0|1,0,0]=3 6919 B9R0.38 CC(C)(C)NCCCC=O ed7d5b5c61e32f958a633125d5515c19 [0,2,0,0,0,0|1,0,0]=3 6920 B9R0.38 CC(C)(C)OCCNC=O 1ddd2e7929b9cf999442a9a474ea5418 [0,2,0,0,0,0|2,0,0]=4 6921 B9R0.38 CC(C)(C)SCCNC=O f281c234d6612e500eb8fa90cddb73bc [0,2,0,0,0,0|2,0,0]=4 6922 B9R0.38 CC(C)(F)CCNCC=O 8009619533d4fd9ce7e28284f979f814 [0,2,0,0,0,0|1,0,0]=3 6923 B9R0.38 CC(C)(F)COCCC=O 10b79b0e1e6c80aa51f3557dbd3fade1 [0,2,0,0,0,0|1,0,0]=3 6924 B9R0.38 CC(C)(O)CCCNC=O de33dcb2b76124e3e94eb8f78daccdd8 [0,2,0,0,0,0|1,0,0]=3 6925 B9R0.38 CC(C)(O)CCNCC=O 4c5432fd7c465e098e88363005d64d55 [0,2,0,0,0,0|1,0,0]=3 6926 B9R0.38 CC(C)(O)CNCCC=O bc990cdd02ab827c7f34196c1267a64f [0,2,0,0,0,0|1,0,0]=3 6927 B9R0.38 CC(C)(O)COCCC=O c7cb3421bc2ec557cd4f15470b6b91d9 [0,2,0,0,0,0|1,0,0]=3 6928 B9R0.38 CC(C)(S)CCOCC=O 6cf959e0b641ea2b242f039c57d22a61 [0,2,0,0,0,0|1,0,0]=3 6929 B9R0.38 CC(C)(S)COCCC=O c8641d2333fb787adce7fadca7f9d391 [0,2,0,0,0,0|1,0,0]=3 6930 B9R0.38 CC(F)(F)CCOCC=O b0355ed785149ec62a7b7944521cc7be [0,2,0,0,0,0|1,0,0]=3 6931 B9R0.38 CC(F)(F)CNCCC=O c74a63bf879fd5e1c62b87b85a5ad337 [0,2,0,0,0,0|1,0,0]=3 6932 B9R0.38 CC(F)(F)COCCC=O 50b4ba618e7099a519917577f65fd3ff [0,2,0,0,0,0|1,0,0]=3 6933 B9R0.38 CCCCNCS(=O)(=O)C af64d2f3f611fa49cafd0242b0d855ea [0,2,0,0,0,0|2,0,0]=4 6934 B9R0.38 CCCCNCS(=O)(=O)O 007c1dfa0321cdc0245df468cea7c92e [0,2,0,0,0,0|2,0,0]=4 6935 B9R0.38 CCCCOCS(=O)(=O)C ae3cf22c4e1a83e24a16fb57756bdbf6 [0,2,0,0,0,0|2,0,0]=4 6936 B9R0.38 CCCNCCS(=O)(=O)C 1b051c00b09d09978f0f18f41ae24870 [0,2,0,0,0,0|2,0,0]=4 6937 B9R0.38 CCCNCCS(=O)(=O)N 07581e92d9dd2f92c22e4102283c24b4 [0,2,0,0,0,0|2,0,0]=4 6938 B9R0.38 CCCNCCS(=O)(=O)O 125660fb3634ce638a0dd477f18c2998 [0,2,0,0,0,0|2,0,0]=4 6939 B9R0.38 CCCOCCS(=N)(=O)C 6f8be8bab81ecc23adcdd4e7bed06b00 [0,2,0,0,0,0|2,0,0]=4 6940 B9R0.38 CCCOCCS(=O)(=O)C 8c2c38e5ec4da4853c7ce2c0098bf306 [0,2,0,0,0,0|2,0,0]=4 6941 B9R0.38 CCCOCCS(=O)(=O)N e9c1a6222404b9975b7128319d2fc039 [0,2,0,0,0,0|2,0,0]=4 6942 B9R0.38 CCCOCCS(=O)(=O)O e43acf3fef2bd06fb3b24a9a2d5ea63f [0,2,0,0,0,0|2,0,0]=4 6943 B9R0.38 CCNCCCS(=O)(=O)C dc544c63c4417c641431496d935b44bd [0,2,0,0,0,0|2,0,0]=4 6944 B9R0.38 CCNCCCS(=O)(=O)N c96651467d9af1df2dc2e047eecd367a [0,2,0,0,0,0|2,0,0]=4 6945 B9R0.38 CCNCCCS(=O)(=O)O faa55f24fabb8dc0aae5f0daba718695 [0,2,0,0,0,0|2,0,0]=4 6946 B9R0.38 CCOCCCS(=O)(=O)C 0e91023cf4c58377fc324c64bd6cdce0 [0,2,0,0,0,0|2,0,0]=4 6947 B9R0.38 CCOCCCS(=O)(=O)N 79c7ff5b1b1298c864185a0190c4c414 [0,2,0,0,0,0|2,0,0]=4 6948 B9R0.38 CCOCCCS(=O)(=O)O 71130b7c1cbfcc6b3c1a7c6c681de977 [0,2,0,0,0,0|2,0,0]=4 6949 B9R0.38 CS(=N)(=O)CCOCC=O fbf18a888589b93ffd7276cc887810ab [0,2,0,0,0,0|2,0,0]=4 6950 B9R0.38 CS(=O)(=O)CCCNC=O b5caa943b6fca0f7fbf8f8df5f375371 [0,2,0,0,0,0|2,0,0]=4 6951 B9R0.38 CS(=O)(=O)CCNCC=O 2abb1af98814f1e443074eaaf32362bd [0,2,0,0,0,0|2,0,0]=4 6952 B9R0.38 CS(=O)(=O)CCOCC=O dacc07f0e73a4a80d0ae62b12a68f117 [0,2,0,0,0,0|2,0,0]=4 6953 B9R0.38 CS(=O)(=O)COCCC=O 46522b16e0fe3c3864464f4e3dc07dd2 [0,2,0,0,0,0|2,0,0]=4 6954 B9R0.38 O=CCCNCC(F)(F)F d1ec4b5bb7f72680d618faf2065dc5e0 [0,2,0,0,0,0|2,0,0]=4 6955 B9R0.38 O=CCCOCC(F)(F)Br a597be47334068700b589f2dada1821c [0,2,0,0,0,0|2,0,0]=4 6956 B9R0.38 O=CCCOCC(F)(F)Cl e487e6ddbee0e11cbcc4b8aaf161c124 [0,2,0,0,0,0|2,0,0]=4 6957 B9R0.38 O=CCCOCC(F)(F)F 063f4453bf203700d86a4d82132f121a [0,2,0,0,0,0|2,0,0]=4 6958 B9R0.38 O=CCNCCC(F)(F)F 253f2025aeb6add82b7cf514f8c646b2 [0,2,0,0,0,0|2,0,0]=4 6959 B9R0.38 O=CCOCCC(F)(F)F c7067a302ab1859f2cb3293baa9c509e [0,2,0,0,0,0|2,0,0]=4 6960 B9R0.38 O=CNCCCC(F)(F)F b36654976bd0e27f4c379b016b26c664 [0,2,0,0,0,0|2,0,0]=4 6961 B9R0.55 C=C(Br)CCOCC(C)C bd506f21a7f72d5859e3a046f578eee7 [0,2,0,0,0,0|2,0,0]=4 6962 B9R0.55 C=C(Br)CNCCC(C)C 25faa38740f983e4433d01766e8730f0 [0,2,0,0,0,0|2,0,0]=4 6963 B9R0.55 C=C(Br)CNCCC(C)O 91af8dd0401975879c8998d15c157469 [0,2,0,0,0,0|2,0,0]=4 6964 B9R0.55 C=C(Br)CNCC[C@@H](C)O b9cc5d3b8036f95bd12f09f0dde3d090 [0,2,0,0,0,0|2,0,0]=4 6965 B9R0.55 C=C(Br)CNCC[C@H](C)O c096af31239e0585a936c962dc960988 [0,2,0,0,0,0|2,0,0]=4 6966 B9R0.55 C=C(Br)COCCC(C)C eb57bb67c29ca003cfbfe10e0d6cc658 [0,2,0,0,0,0|2,0,0]=4 6967 B9R0.55 C=C(C)CCCOC(C)C e3742700e2d73e11414a9d2165d14d13 [0,2,0,0,0,0|2,0,0]=4 6968 B9R0.55 C=C(C)CCNCC(=O)C ecc5eaef95bd43b57450b718411d778a [0,2,0,0,0,0|1,0,1]=4 6969 B9R0.55 C=C(C)CCNCC(=O)N ca4965e13bd2acdb7d843062df458fed [0,2,0,0,0,0|1,0,1]=4 6970 B9R0.55 C=C(C)CCNCC(=O)O 14f79230f366d4f53483d592ca1209f4 [0,2,0,0,0,0|1,0,1]=4 6971 B9R0.55 C=C(C)CCNCC(C)C cc94ef4ed5c8b5b4cc520b0e1a82b61a [0,2,0,0,0,0|2,0,0]=4 6972 B9R0.55 C=C(C)CCNCC(C)O 5ad2e9e1a5c9ea7b0b89317480f5a251 [0,2,0,0,0,0|2,0,0]=4 6973 B9R0.55 C=C(C)CCNC[C@@H](C)O 9d8c1d53de838d5a486c2b6cc129a0b1 [0,2,0,0,0,0|2,0,0]=4 6974 B9R0.55 C=C(C)CCNC[C@H](C)O b836500d37ce2e2e056f45188ca62270 [0,2,0,0,0,0|2,0,0]=4 6975 B9R0.55 C=C(C)CCOCC(=O)C 674e4ae6886ff1d2fa28b38381f83ac0 [0,2,0,0,0,0|1,0,1]=4 6976 B9R0.55 C=C(C)CCOCC(=O)N d33aa0dae0308277a86cd28962dc0582 [0,2,0,0,0,0|1,0,1]=4 6977 B9R0.55 C=C(C)CCOCC(=O)O d511df34cdc214eb72cb2dd39c037f73 [0,2,0,0,0,0|1,0,1]=4 6978 B9R0.55 C=C(C)CCOCC(C)C ad250d1d2648365b7a9d4d37d3b8ebac [0,2,0,0,0,0|2,0,0]=4 6979 B9R0.55 C=C(C)CCOCC(C)F dfb385884a8d67b76dbde5dc6fcd3346 [0,2,0,0,0,0|2,0,0]=4 6980 B9R0.55 C=C(C)CCOCC(C)S 578fed4954aa8c092a2989944449a2bc [0,2,0,0,0,0|2,0,0]=4 6981 B9R0.55 C=C(C)CCOC[C@@H](C)F 6f41035d36a8a861e4faca241d4bb666 [0,2,0,0,0,0|2,0,0]=4 6982 B9R0.55 C=C(C)CCOC[C@H](C)F 89e3b001f0f0fb7f3f952a33f6471dfa [0,2,0,0,0,0|2,0,0]=4 6983 B9R0.55 C=C(C)CNCCC(=O)C 8f02e27a7c607dfc1a5bc61e972fbe37 [0,2,0,0,0,0|1,0,1]=4 6984 B9R0.55 C=C(C)CNCCC(=O)N 2b98860e45e58e139d93177c6c6c578a [0,2,0,0,0,0|1,0,1]=4 6985 B9R0.55 C=C(C)CNCCC(=O)O c94702ac8441eb8e035c8c88a218653b [0,2,0,0,0,0|1,0,1]=4 6986 B9R0.55 C=C(C)CNCCC(C)C e511ee812ae62864d0d56d9a869f810c [0,2,0,0,0,0|2,0,0]=4 6987 B9R0.55 C=C(C)CNCCC(C)O 1e26bb030bd5403aaa661d90f5bd3321 [0,2,0,0,0,0|2,0,0]=4 6988 B9R0.55 C=C(C)CNCC[C@@H](C)O 5247a41986a2db39b43651346a2a353c [0,2,0,0,0,0|2,0,0]=4 6989 B9R0.55 C=C(C)CNCC[C@H](C)O ee20120b0714c7bf76bcbec6645c4af1 [0,2,0,0,0,0|2,0,0]=4 6990 B9R0.55 C=C(C)COCCC(=O)C 70cdb13dc4d6f031583b0aab7b94bdad [0,2,0,0,0,0|1,0,1]=4 6991 B9R0.55 C=C(C)COCCC(=O)N 2711f42315610cfc7376cfa714d91ab6 [0,2,0,0,0,0|1,0,1]=4 6992 B9R0.55 C=C(C)COCCC(=O)O e23f99666316477d86f1528d4f6e582f [0,2,0,0,0,0|1,0,1]=4 6993 B9R0.55 C=C(C)COCCC(C)C 18ecd9b546cd72b4cef7ebec434c3dfb [0,2,0,0,0,0|2,0,0]=4 6994 B9R0.55 C=C(Cl)CNCCC(C)C 71740294c3215a86f0737f5777a9f7d8 [0,2,0,0,0,0|2,0,0]=4 6995 B9R0.55 C=C(Cl)CNCCC(C)O 2fd3b4da6316772d93c37fee38aed8a7 [0,2,0,0,0,0|2,0,0]=4 6996 B9R0.55 C=C(Cl)CNCC[C@@H](C)O 9a6bacacd1e585ba985b02d1dc7c1fac [0,2,0,0,0,0|2,0,0]=4 6997 B9R0.55 C=C(Cl)CNCC[C@H](C)O 8f9b231c23502c54bd1e89c8b729a830 [0,2,0,0,0,0|2,0,0]=4 6998 B9R0.55 C=C(Cl)COCCC(C)C f059c2da9c42ad918ad68c2e368224c5 [0,2,0,0,0,0|2,0,0]=4 6999 B9R0.55 C=C(F)CNCCC(C)C 0ef24ecaec3e679ffe7ec565dcd9dca9 [0,2,0,0,0,0|2,0,0]=4 7000 B9R0.55 C=C(F)CNCCC(C)O 824274172e871934ac6b7de0e3d2e5c4 [0,2,0,0,0,0|2,0,0]=4 7001 B9R0.55 C=C(F)CNCC[C@@H](C)O 6ecd47a92a61ca929abea0eb44132f9b [0,2,0,0,0,0|2,0,0]=4 7002 B9R0.55 C=C(F)CNCC[C@H](C)O e22fa5240841a0a02198c3c6bd3bf58f [0,2,0,0,0,0|2,0,0]=4 7003 B9R0.55 C=C(F)COCCC(C)C d1a2858e4daab1776673df42b8ace619 [0,2,0,0,0,0|2,0,0]=4 7004 B9R0.55 C=C(I)COCCC(C)C 2b8f560dfc1e9d856eb0f41151625be8 [0,2,0,0,0,0|2,0,0]=4 7005 B9R0.55 CC(=O)CCCOC(C)C ca9590f9812dfe3bbd12d00e8d8da35d [0,2,0,0,0,0|1,0,0]=3 7006 B9R0.55 CC(=O)CCNCC(=O)C a214a75957335c42a991001b0d025dcf [0,2,0,0,0,0|1,0,1]=4 7007 B9R0.55 CC(=O)CCNCC(=O)N 883ed360f69e34416c89d3b52cc5ee69 [0,2,0,0,0,0|1,0,1]=4 7008 B9R0.55 CC(=O)CCNCC(=O)O 40694212f6627e29d6641d6f27eb6cbd [0,2,0,0,0,0|1,0,1]=4 7009 B9R0.55 CC(=O)CCNCC(C)C 4c46adea65c7a7a18afa0eb496cf810e [0,2,0,0,0,0|1,0,0]=3 7010 B9R0.55 CC(=O)CCNCC(C)O 1e4535b6e0ff075e7741b213424a4a2f [0,2,0,0,0,0|1,0,0]=3 7011 B9R0.55 CC(=O)CCNCC(F)F 7c4c7d203b63e7c077d6956251a8ccb5 [0,2,0,0,0,0|2,0,0]=4 7012 B9R0.55 CC(=O)CCNC[C@@H](C)O d673557cdbf1f592c8dda2f56361c517 [0,2,0,0,0,0|1,0,0]=3 7013 B9R0.55 CC(=O)CCNC[C@H](C)O 45bdb4c19b607b23643637f75b4e9707 [0,2,0,0,0,0|1,0,0]=3 7014 B9R0.55 CC(=O)CCOCC(=O)C 974441e375e1fad064766c61157f7015 [0,2,0,0,0,0|1,0,1]=4 7015 B9R0.55 CC(=O)CCOCC(=O)N 282ca2239418fd9eb0b111d82a9b4972 [0,2,0,0,0,0|1,0,1]=4 7016 B9R0.55 CC(=O)CCOCC(=O)O 9074473ccbed0d52dad15c2ee2e3d18e [0,2,0,0,0,0|1,0,1]=4 7017 B9R0.55 CC(=O)CCOCC(C)C 9ee5575ae874bec3c1972a6d60564d69 [0,2,0,0,0,0|1,0,0]=3 7018 B9R0.55 CC(=O)CCOCC(C)F c746ebaf009979f59ee11e75904265b4 [0,2,0,0,0,0|1,0,0]=3 7019 B9R0.55 CC(=O)CCOCC(C)S 84f9642d3544369c1856724fb718e0a9 [0,2,0,0,0,0|1,0,0]=3 7020 B9R0.55 CC(=O)CCOCC(F)F b2af07f4108d282e63a6f9f4d2bedf01 [0,2,0,0,0,0|2,0,0]=4 7021 B9R0.55 CC(=O)CCOCN(C)C 358eaca0e312daf92cc8597ceed5c1d1 [0,2,0,0,0,0|2,0,0]=4 7022 B9R0.55 CC(=O)CCOC[C@@H](C)F c8502d42a16118aee52b1137ce3c8158 [0,2,0,0,0,0|1,0,0]=3 7023 B9R0.55 CC(=O)CCOC[C@H](C)F ce373016b0ed0d862bfa7566abaf2432 [0,2,0,0,0,0|1,0,0]=3 7024 B9R0.55 CC(=O)CNCCC(=O)N 131a7e451436a40baf4f4512e78ed898 [0,2,0,0,0,0|1,0,1]=4 7025 B9R0.55 CC(=O)CNCCC(=O)O f7e1177d8b3728ece360d0f60d2f3d30 [0,2,0,0,0,0|1,0,1]=4 7026 B9R0.55 CC(=O)CNCCC(C)C a808dcd2847c2da2ce54f5f0db358bfb [0,2,0,0,0,0|1,0,0]=3 7027 B9R0.55 CC(=O)CNCCC(C)O bb1baaff82472d97dc1cb89a36c3c257 [0,2,0,0,0,0|1,0,0]=3 7028 B9R0.55 CC(=O)CNCCN(C)C 2bfdf00c0d570e57e079c18fa106c33b [0,2,0,0,0,0|2,0,0]=4 7029 B9R0.55 CC(=O)CNCCS(=O)C c95eec6a0a25a386e2b31b5961a26e0c [0,2,0,0,0,0|2,0,0]=4 7030 B9R0.55 CC(=O)CNCOC(C)C a945bade2363953109b966473de13912 [0,2,0,0,0,0|2,0,0]=4 7031 B9R0.55 CC(=O)COCCC(=O)N 1bca4404f8e823f3667de3d7a32641f4 [0,2,0,0,0,0|1,0,1]=4 7032 B9R0.55 CC(=O)COCCC(=O)O 9181529c791e851b859a70ea035f0690 [0,2,0,0,0,0|1,0,1]=4 7033 B9R0.55 CC(=O)COCCC(C)C 6db7d2dfcb34356d041afbdf4ad10eaf [0,2,0,0,0,0|1,0,0]=3 7034 B9R0.55 CC(=O)COCCN(C)C 08b5b324aa9c95ec96ce560d6ace1e6b [0,2,0,0,0,0|2,0,0]=4 7035 B9R0.55 CC(=O)COCCS(=O)C 43a8112de84e67bb0c3dafc01ea48cca [0,2,0,0,0,0|2,0,0]=4 7036 B9R0.55 CC(=O)COCOC(C)C c8c376ed0f894da9d085e516b4703885 [0,2,0,0,0,0|2,0,0]=4 7037 B9R0.55 CC(=O)NCCCC(=O)N b2e1a0ba0837c4a3760cbdc18a234480 [0,2,0,0,0,0|1,0,1]=4 7038 B9R0.55 CC(=O)NCCCC(C)C fb53002ebde56b3103c957e1e4a39dab [0,2,0,0,0,0|1,0,0]=3 7039 B9R0.55 CC(=O)NCCCN(C)C 102e725d4de8a9a63bb409b78aa3277e [0,2,0,0,0,0|2,0,0]=4 7040 B9R0.55 CC(=O)NCCCS(=O)C 85ed7b7246ef0c021ed1278da00bdfcc [0,2,0,0,0,0|2,0,0]=4 7041 B9R0.55 CC(=O)NCCNC(C)C 822f6b4f05048df798b316cd1c28fb95 [0,2,0,0,0,0|2,0,0]=4 7042 B9R0.55 CC(=O)NCCOC(C)C b381b472459d35fc48cf96cd566b674a [0,2,0,0,0,0|2,0,0]=4 7043 B9R0.55 CC(=O)NCOCC(C)C 99fab954934087ff9543d41841dc681b [0,2,0,0,0,0|2,0,0]=4 7044 B9R0.55 CC(=O)OCCOC(C)C 47d9129c1599949f03f1848bfa090132 [0,2,0,0,0,0|2,0,0]=4 7045 B9R0.55 CC(=O)OCNCC(C)C 73c52b46c778e94f160efebe7100b3ee [0,2,0,0,0,0|2,0,0]=4 7046 B9R0.55 CC(=O)OCNCC(C)O 9db9e7d06b2a8cad87a499ac08f0e412 [0,2,0,0,0,0|2,0,0]=4 7047 B9R0.55 CC(=O)OCNC[C@@H](C)O cf466a4403498827be8d51621b10fac5 [0,2,0,0,0,0|2,0,0]=4 7048 B9R0.55 CC(=O)OCNC[C@H](C)O 8d21f065d54dba23af256e127e2724b7 [0,2,0,0,0,0|2,0,0]=4 7049 B9R0.55 CC(=O)OCOCC(C)C 890e7bb626a73ee23682d1a24e4e5660 [0,2,0,0,0,0|2,0,0]=4 7050 B9R0.55 CC(=O)OCOCC(C)F 1e266d93b2f84915d8da0c33fbda1669 [0,2,0,0,0,0|2,0,0]=4 7051 B9R0.55 CC(=O)OCOCC(C)S 0b6967d22dd320e77ec56e8e8c5ab8e4 [0,2,0,0,0,0|2,0,0]=4 7052 B9R0.55 CC(=O)OCOC[C@@H](C)F 1034db271157f331ac3275f87ea9d11c [0,2,0,0,0,0|2,0,0]=4 7053 B9R0.55 CC(=O)OCOC[C@H](C)F 2556adee788f90d2ea8da11a26bcc804 [0,2,0,0,0,0|2,0,0]=4 7054 B9R0.55 CC(=O)SCCOC(C)C 43a4faeca2d74acee795a0735650199a [0,2,0,0,0,0|2,0,0]=4 7055 B9R0.55 CC(C)CCNCC(=O)N a0656cb8464b6fd8b1ff4bd15f50cbc4 [0,2,0,0,0,0|1,0,0]=3 7056 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,2,0,0,0,0|1,0,0]=3 7057 B9R0.55 CC(C)CCNC[N+](=O)[O-] d87c9001753938fab0c032b9836698cb [0,2,0,0,0,0|2,0,0]=4 7058 B9R0.55 CC(C)CCOCC(=O)N a6054c15c949445f04569adc9e755ebb [0,2,0,0,0,0|1,0,0]=3 7059 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,2,0,0,0,0|1,0,0]=3 7060 B9R0.55 CC(C)CCOCC(=S)N 4baa196d903c85bda1fb9837c460a4af [0,2,0,0,0,0|1,1,0]=4 7061 B9R0.55 CC(C)CCOCS(=O)O 86661055fa920a1b3121c7cd1555f374 [0,2,0,0,0,0|2,0,0]=4 7062 B9R0.55 CC(C)CCOC[N+](=O)[O-] e3b5ccf4587084f8cfb2ec665d6a5318 [0,2,0,0,0,0|2,0,0]=4 7063 B9R0.55 CC(C)CNCCC(=O)N f954dfdd0d8f70498d61cb3d06960ab2 [0,2,0,0,0,0|1,0,0]=3 7064 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [0,2,0,0,0,0|1,0,0]=3 7065 B9R0.55 CC(C)CNCCC(=S)N b6eb2bf88748cd60cc7bb26949def87e [0,2,0,0,0,0|1,1,0]=4 7066 B9R0.55 CC(C)CNCCS(=O)C f8911574509ee3e34b9a6fb39e9f6d09 [0,2,0,0,0,0|2,0,0]=4 7067 B9R0.55 CC(C)CNCCS(=O)O dfa1fe188cc20667a2b65b212e676b93 [0,2,0,0,0,0|2,0,0]=4 7068 B9R0.55 CC(C)CNCSC(=O)N 8a612380e6ef7c8f5185d2a22bd798fd [0,2,0,0,0,0|2,0,0]=4 7069 B9R0.55 CC(C)COCCC(=O)N e7a69b8b783cbc96e187123cf43e59f4 [0,2,0,0,0,0|1,0,0]=3 7070 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [0,2,0,0,0,0|1,0,0]=3 7071 B9R0.55 CC(C)COCCS(=O)C fc864c99de43400e6ba798829cdf7f50 [0,2,0,0,0,0|2,0,0]=4 7072 B9R0.55 CC(C)COCC[N+](=O)[O-] 47d503d251b69f33bbf02abd32e63f9d [0,2,0,0,0,0|2,0,0]=4 7073 B9R0.55 CC(C)COCNC(=O)N 08123fadbb28ea9d982d49fbb5e87197 [0,2,0,0,0,0|2,0,0]=4 7074 B9R0.55 CC(C)COCSC(=O)N 6bdf9a025d7ae4db16a42bb3216fa017 [0,2,0,0,0,0|2,0,0]=4 7075 B9R0.55 CC(C)NCCCC(=O)N 9e4c383ef9d91eb38a1cb9ea76545b30 [0,2,0,0,0,0|1,0,0]=3 7076 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,2,0,0,0,0|1,0,0]=3 7077 B9R0.55 CC(C)NCCCS(=O)C 16782eee41672ce14cab39a1f6614436 [0,2,0,0,0,0|2,0,0]=4 7078 B9R0.55 CC(C)OCCCC(=O)N 51a23f79a38cac73ae7b6c43c25b7bcc [0,2,0,0,0,0|1,0,0]=3 7079 B9R0.55 CC(C)OCCC[N+](=O)[O-] 294b4522b50d44bc807539101cdf4789 [0,2,0,0,0,0|2,0,0]=4 7080 B9R0.55 CC(C)OCCNC(=O)N a4a03f2751babfbf4974f25bd5919e06 [0,2,0,0,0,0|2,0,0]=4 7081 B9R0.55 CC(C)OCNCC(=O)N 4623dc9ea900605748497d3d838b652d [0,2,0,0,0,0|2,0,0]=4 7082 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,2,0,0,0,0|2,0,0]=4 7083 B9R0.55 CC(C)OCOCC(=O)N b5a7ab3c0754aafe656207a497cdcf0d [0,2,0,0,0,0|2,0,0]=4 7084 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,2,0,0,0,0|2,0,0]=4 7085 B9R0.55 CC(F)COCCC(=O)N 051b0a8baa8c4dea0155e2e210bb1bb0 [0,2,0,0,0,0|1,0,0]=3 7086 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [0,2,0,0,0,0|1,0,0]=3 7087 B9R0.55 CC(F)COCCS(=O)C e39a01feb47156e69031381737b7342d [0,2,0,0,0,0|2,0,0]=4 7088 B9R0.55 CC(F)COCSC(=O)N e18ea3523691d9022e4816b5cdb00b0e [0,2,0,0,0,0|2,0,0]=4 7089 B9R0.55 CC(O)CCNCC(=O)N d60e66bceb90389360a4002efcacb8fa [0,2,0,0,0,0|1,0,0]=3 7090 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [0,2,0,0,0,0|1,0,0]=3 7091 B9R0.55 CC(O)CCNC[N+](=O)[O-] 8440596623c0ac8fac56934b32e2436c [0,2,0,0,0,0|2,0,0]=4 7092 B9R0.55 CC(O)CNCCC(=O)N 9e22e19f884b1ca5fa9ba22b71f71819 [0,2,0,0,0,0|1,0,0]=3 7093 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [0,2,0,0,0,0|1,0,0]=3 7094 B9R0.55 CC(O)CNCCC(=S)N fa04c33ed2691325843d184d9de9fab7 [0,2,0,0,0,0|1,1,0]=4 7095 B9R0.55 CC(O)CNCCS(=O)C dae9c38fef793a5143f679ffa92b48ea [0,2,0,0,0,0|2,0,0]=4 7096 B9R0.55 CC(O)CNCCS(=O)O 508e710c16cab6c037e8a01eec63d97e [0,2,0,0,0,0|2,0,0]=4 7097 B9R0.55 CC(O)CNCSC(=O)N 310a3668f516f4ce99a8597d9c3837e5 [0,2,0,0,0,0|2,0,0]=4 7098 B9R0.55 CC(S)COCCC(=O)N 9925d76f35cd27119937fa03b6552995 [0,2,0,0,0,0|1,0,0]=3 7099 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [0,2,0,0,0,0|1,0,0]=3 7100 B9R0.55 CC(S)COCCS(=O)C 21250b10cb55034db416cc47863f017c [0,2,0,0,0,0|2,0,0]=4 7101 B9R0.55 CC(S)COCSC(=O)N cb81a391afb0154da400ce07b2549997 [0,2,0,0,0,0|2,0,0]=4 7102 B9R0.55 CN(C)CCNCC(=O)N e8510ac25318f7bd1696d4b330196d39 [0,2,0,0,0,0|2,0,0]=4 7103 B9R0.55 CN(C)CCNCC(=O)O 634f8ba28991fe4a91743dfcd1ec664b [0,2,0,0,0,0|2,0,0]=4 7104 B9R0.55 CN(C)CCOCC(=O)N 9f49915af320d245f81f03b513697896 [0,2,0,0,0,0|2,0,0]=4 7105 B9R0.55 CN(C)CCOCC(=O)O 841429c0c14a54a981cd653dba3ce73c [0,2,0,0,0,0|2,0,0]=4 7106 B9R0.55 CN(C)CNCCC(=O)N 504555717b773ac84b06c60be8a60181 [0,2,0,0,0,0|2,0,0]=4 7107 B9R0.55 CN(C)CNCCC(=O)O f2f92c2697e6f0a8922b2579c214314b [0,2,0,0,0,0|2,0,0]=4 7108 B9R0.55 CN(C)COCCC(=O)N c9c2979856d0490b92859d0005c68a59 [0,2,0,0,0,0|2,0,0]=4 7109 B9R0.55 CN(C)COCCC(=O)O 2dce7716534601e6d7ec7d3859ddf712 [0,2,0,0,0,0|2,0,0]=4 7110 B9R0.55 CS(=O)CCNCC(=O)N 5ff553f3a3e2971245c2dc36e6f09447 [0,2,0,0,0,0|2,0,0]=4 7111 B9R0.55 CS(=O)CCNCC(=O)O d14fa2db8bf0bb5b19c1028796e497cd [0,2,0,0,0,0|2,0,0]=4 7112 B9R0.55 CS(=O)CCOCC(=O)N d0e0955eadbed6d9fc578851725fa08f [0,2,0,0,0,0|2,0,0]=4 7113 B9R0.55 CS(=O)CCOCC(=O)O 52722d02a38e3b2fdc3782816d19eb63 [0,2,0,0,0,0|2,0,0]=4 7114 B9R0.55 C[C@@H](F)COCCC(=O)N e8464d6d578a523cad90edd215e8b2e9 [0,2,0,0,0,0|1,0,0]=3 7115 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [0,2,0,0,0,0|1,0,0]=3 7116 B9R0.55 C[C@@H](F)COCCS(=O)C 6e90b85e5baf4c1201bc6b4e4124755a [0,2,0,0,0,0|2,0,0]=4 7117 B9R0.55 C[C@@H](F)COCSC(=O)N 2ed42912b429b908aa1aea110ad3590d [0,2,0,0,0,0|2,0,0]=4 7118 B9R0.55 C[C@@H](O)CCNCC(=O)N e3e96ff2d37d9d270a814377a2485d08 [0,2,0,0,0,0|1,0,0]=3 7119 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [0,2,0,0,0,0|1,0,0]=3 7120 B9R0.55 C[C@@H](O)CCNC[N+](=O)[O-] 8fa1c6b9ab26252eb8e40f8a82238367 [0,2,0,0,0,0|2,0,0]=4 7121 B9R0.55 C[C@@H](O)CNCCC(=O)N 1baae5cd66b2e5daebca417d839cf2e7 [0,2,0,0,0,0|1,0,0]=3 7122 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [0,2,0,0,0,0|1,0,0]=3 7123 B9R0.55 C[C@@H](O)CNCCC(=S)N 304a0a8c77b645382287adee271faa95 [0,2,0,0,0,0|1,1,0]=4 7124 B9R0.55 C[C@@H](O)CNCCS(=O)C 463bb33a2bfd90c69de25ec1568941b9 [0,2,0,0,0,0|2,0,0]=4 7125 B9R0.55 C[C@@H](O)CNCCS(=O)O f44d4d0563eb1080e8281f6caa53356f [0,2,0,0,0,0|2,0,0]=4 7126 B9R0.55 C[C@@H](O)CNCSC(=O)N 6cf88afb0cb57579a3bff87c828816e4 [0,2,0,0,0,0|2,0,0]=4 7127 B9R0.55 C[C@H](F)COCCC(=O)N 8bb5fcd0562b02c1c8d088b599f0ea14 [0,2,0,0,0,0|1,0,0]=3 7128 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [0,2,0,0,0,0|1,0,0]=3 7129 B9R0.55 C[C@H](F)COCCS(=O)C e40783211d67611049749ed49c292e2d [0,2,0,0,0,0|2,0,0]=4 7130 B9R0.55 C[C@H](F)COCSC(=O)N c48c77d02a1569e92bb0fabf844a02b5 [0,2,0,0,0,0|2,0,0]=4 7131 B9R0.55 C[C@H](O)CCNCC(=O)N 36179dc6c044d28e22b9c0cf92811207 [0,2,0,0,0,0|1,0,0]=3 7132 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [0,2,0,0,0,0|1,0,0]=3 7133 B9R0.55 C[C@H](O)CCNC[N+](=O)[O-] 5f18c7f4a40d0340d54a9512b6078d05 [0,2,0,0,0,0|2,0,0]=4 7134 B9R0.55 C[C@H](O)CNCCC(=O)N 424f4efc3eaaa1977a5002054a49e49e [0,2,0,0,0,0|1,0,0]=3 7135 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [0,2,0,0,0,0|1,0,0]=3 7136 B9R0.55 C[C@H](O)CNCCC(=S)N ad63f9b27f35b237efa952c141a3ef86 [0,2,0,0,0,0|1,1,0]=4 7137 B9R0.55 C[C@H](O)CNCCS(=O)C bc66dc855190da97945877bf50b60c55 [0,2,0,0,0,0|2,0,0]=4 7138 B9R0.55 C[C@H](O)CNCCS(=O)O bd36c73b17d8b3f3b24b05470356739e [0,2,0,0,0,0|2,0,0]=4 7139 B9R0.55 C[C@H](O)CNCSC(=O)N 27e6fad2a36fb5771169da36a955da01 [0,2,0,0,0,0|2,0,0]=4 7140 B9R0.55 NC(=O)CCNCC(F)F fbf87cc433d5622b945710a56a59ed92 [0,2,0,0,0,0|2,0,0]=4 7141 B9R0.55 NC(=O)CCOCC(F)F 205d77d6c551c8d10c495421ce67e82d [0,2,0,0,0,0|2,0,0]=4 7142 B9R0.55 NC(=O)CNCCC(F)F 97af3d719378917b727919503dc5da5e [0,2,0,0,0,0|2,0,0]=4 7143 B9R0.55 NC(=O)COCCC(F)F 35a709c0013e0992ff394f7485c3d470 [0,2,0,0,0,0|2,0,0]=4 7144 B9R0.55 O=C(O)CCNCC(F)F 83bfb620b6c72f7ea03c8ba8a106a893 [0,2,0,0,0,0|2,0,0]=4 7145 B9R0.55 O=C(O)CCOCC(F)F 6d860de1df08a6938b930a866fb948de [0,2,0,0,0,0|2,0,0]=4 7146 B9R0.55 O=C(O)CNCCC(F)F 36a1eacdaf75399080e933c29ff5f4e8 [0,2,0,0,0,0|2,0,0]=4 7147 B9R0.55 O=C(O)COCCC(F)F e697405c68cd45ae6bdf74d2e05b079c [0,2,0,0,0,0|2,0,0]=4 7148 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,0,0,1,0,0|2,0,0]=4 7149 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [1,0,0,1,0,0|1,0,0]=3 7150 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [1,0,0,1,0,0|2,0,0]=4 7151 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [1,0,0,1,0,0|1,0,1]=4 7152 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [1,0,0,1,0,0|1,0,1]=4 7153 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [1,0,0,1,0,0|2,0,0]=4 7154 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [1,0,0,1,0,0|2,0,0]=4 7155 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [1,0,0,1,0,0|2,0,0]=4 7156 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [1,0,0,1,0,0|1,0,1]=4 7157 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [1,0,0,1,0,0|1,0,1]=4 7158 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [1,0,0,1,0,0|1,0,1]=4 7159 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [1,0,0,1,0,0|1,0,1]=4 7160 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [1,0,0,1,0,0|2,0,0]=4 7161 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [1,0,0,1,0,0|2,0,0]=4 7162 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [1,0,0,1,0,0|2,0,0]=4 7163 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [1,0,0,1,0,0|1,0,0]=3 7164 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [1,0,0,1,0,0|2,0,0]=4 7165 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [1,0,0,1,0,0|1,0,1]=4 7166 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [1,0,0,1,0,0|1,0,1]=4 7167 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [1,0,0,1,0,0|1,1,0]=4 7168 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [1,0,0,1,0,0|2,0,0]=4 7169 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [1,0,0,1,0,0|1,0,1]=4 7170 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [1,0,0,1,0,0|1,0,1]=4 7171 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [1,0,0,1,0,0|1,0,1]=4 7172 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [1,0,0,1,0,0|1,0,1]=4 7173 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [1,0,0,1,0,0|1,0,1]=4 7174 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [1,0,0,1,0,0|1,0,1]=4 7175 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [1,0,0,1,0,0|2,0,0]=4 7176 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [1,0,0,1,0,0|2,0,0]=4 7177 B7R1.7 FCNCC1CC1 1cae99c489890b890b87d2c58a6eb8c9 [1,0,0,1,0,0|2,0,0]=4 7178 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [1,0,0,1,0,0|2,0,0]=4 7179 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [1,0,0,1,0,0|2,0,0]=4 7180 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [1,0,0,1,0,0|1,0,0]=3 7181 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [1,0,0,1,0,0|1,0,0]=3 7182 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [1,0,0,1,0,0|1,0,0]=3 7183 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [1,0,0,1,0,0|1,0,1]=4 7184 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [1,0,0,1,0,0|1,0,1]=4 7185 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [1,0,0,1,0,0|1,1,0]=4 7186 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [1,0,0,1,0,0|1,1,0]=4 7187 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [0,1,0,1,0,0|1,0,0]=3 7188 B9R1.2 CC1CN(CCO1)C=O 419911434d41e805d16780cbe76cce9d [0,1,0,1,0,0|2,0,0]=4 7189 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,1,0,1,0,0|1,0,0]=3 7190 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,1,0,1,0,0|2,0,0]=4 7191 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|2,0,0]=4 7192 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [0,1,0,1,0,0|1,0,0]=3 7193 B9R1.2 C[C@@H]1CN(CCO1)C=O b5db532eab9a99bf3ba15375dd3b6f02 [0,1,0,1,0,0|2,0,0]=4 7194 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [0,1,0,1,0,0|1,0,0]=3 7195 B9R1.2 C[C@H]1CN(CCO1)C=O df29ae4feffabe0da5bd47bb2c69d059 [0,1,0,1,0,0|2,0,0]=4 7196 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,1,0,1,0,0|2,0,0]=4 7197 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,1,0,1,0,0|2,0,0]=4 7198 B9R1.2 O=CN1CCCC(=O)C1 853ed8a7ea6d407efd205be254a69349 [0,1,0,1,0,0|1,0,1]=4 7199 B9R1.2 O=CN1CCCC(C1)F 04917882399611fcb80fb86df59a89e2 [0,1,0,1,0,0|1,0,0]=3 7200 B9R1.2 O=CN1CCCC(C1)O 0df930667a84d8d3d91a613bfd57f133 [0,1,0,1,0,0|1,0,0]=3 7201 B9R1.2 O=CN1CCC[C@@H](C1)F 8bf0e6ef9ed8e1b7cb36e4499af92a58 [0,1,0,1,0,0|1,0,0]=3 7202 B9R1.2 O=CN1CCC[C@@H](C1)O 50e0b44fd1f0b47772960747a9d4dc2e [0,1,0,1,0,0|1,0,0]=3 7203 B9R1.2 O=CN1CCC[C@H](C1)F ec017dd9294189577b258dfb95fb493e [0,1,0,1,0,0|1,0,0]=3 7204 B9R1.2 O=CN1CCC[C@H](C1)O 1099b25f2d4ea20dc0b6d23f3ff3e4f6 [0,1,0,1,0,0|1,0,0]=3 7205 B9R1.7 C=CCN1CCC(C1)C 02824cd28809d0a4e9b65245a31c044f [0,1,0,1,0,0|2,0,0]=4 7206 B9R1.7 C=CCN1CCC(C1)F 18778a958ab3dd4e4cfc38dee403e7e6 [0,1,0,1,0,0|2,0,0]=4 7207 B9R1.7 C=CCN1CCC(C1)O 90d77348644f7575f052a1424868013e [0,1,0,1,0,0|2,0,0]=4 7208 B9R1.7 C=CCN1CC[C@@H](C1)F 757a148cd5bb60d28a2c296c60919a4e [0,1,0,1,0,0|2,0,0]=4 7209 B9R1.7 C=CCN1CC[C@@H](C1)O 6f0bbc6d3d616e7aef28e5899b9e2800 [0,1,0,1,0,0|2,0,0]=4 7210 B9R1.7 C=CCN1CC[C@H](C1)F d32695b4822970352b5ece9306a63a6e [0,1,0,1,0,0|2,0,0]=4 7211 B9R1.7 C=CCN1CC[C@H](C1)O 52e5c7b77cb74eeec19b0f8f1f022091 [0,1,0,1,0,0|2,0,0]=4 7212 B9R1.7 CC1CCC(C1)NC=O 86b9d16d14b01af118f6eff98f26bcb3 [0,1,0,1,0,0|1,0,0]=3 7213 B9R1.7 CC1CCN(C1)CC=O 60f84b0ab71f7f996705ad5037a1aec2 [0,1,0,1,0,0|1,0,0]=3 7214 B9R1.7 CCCN1CNC(=O)C1 3c5d5a0187668e5f708d17c495c62e95 [0,1,0,1,0,0|2,0,0]=4 7215 B9R1.7 CCNC1CNC(=O)C1 f034b1c0e5aa31eff338453bd1cde7f9 [0,1,0,1,0,0|2,0,0]=4 7216 B9R1.7 CCN[C@@H]1C=C[C@@H](C1)O 8595cfc92fafeb14afc1a9f2941efc02 [0,1,0,1,0,0|2,0,0]=4 7217 B9R1.7 CCN[C@@H]1CNC(=O)C1 53d087e66deab9a5a56ba2147c98eebb [0,1,0,1,0,0|2,0,0]=4 7218 B9R1.7 CCN[C@H]1C=C[C@H](C1)O 1b322ffcd67ea9ec53acac9cb0d3d699 [0,1,0,1,0,0|2,0,0]=4 7219 B9R1.7 CCN[C@H]1CNC(=O)C1 a0f226362b35f34e32c6ff7f460edeb1 [0,1,0,1,0,0|2,0,0]=4 7220 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [0,1,0,1,0,0|1,0,1]=4 7221 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,1,0,1,0,0|1,0,0]=3 7222 B9R1.7 CCOC1CNC(=O)C1 5dfdd0a06ecc1692efd79633b6c9fdb4 [0,1,0,1,0,0|2,0,0]=4 7223 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,1,0,1,0,0|2,0,0]=4 7224 B9R1.7 CCO[C@@H]1CNC(=O)C1 a15700fb6c9d37d8c11af797ede2320b [0,1,0,1,0,0|2,0,0]=4 7225 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,1,0,1,0,0|2,0,0]=4 7226 B9R1.7 CCO[C@H]1CNC(=O)C1 442cd5fabba5f8376815e4dbe7155a78 [0,1,0,1,0,0|2,0,0]=4 7227 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,1,0,1,0,0|2,0,0]=4 7228 B9R1.7 CN1CCN(C1)CC=O 31387518130e7368f5d8e7b14fb4ff76 [0,1,0,1,0,0|2,0,0]=4 7229 B9R1.7 O=C1CCC(C1)OCF 98c190e459e55f64b9e25e39bcd16a19 [0,1,0,1,0,0|2,0,0]=4 7230 B9R1.7 O=CCN1CCC(C1)F f060a91610fd1c160462b8451592274c [0,1,0,1,0,0|1,0,0]=3 7231 B9R1.7 O=CCN1CCC(C1)O 99e2f8a92ac31be412a249812f35919e [0,1,0,1,0,0|1,0,0]=3 7232 B9R1.7 O=CCN1CC[C@@H](C1)F 3f3302fb44a2f6535f8baf3daa5909e7 [0,1,0,1,0,0|1,0,0]=3 7233 B9R1.7 O=CCN1CC[C@@H](C1)O 24c35e433dba4bd0d149bd5947289fc2 [0,1,0,1,0,0|1,0,0]=3 7234 B9R1.7 O=CCN1CC[C@H](C1)F 19a6e702b7550830275cbcf7f340a515 [0,1,0,1,0,0|1,0,0]=3 7235 B9R1.7 O=CCN1CC[C@H](C1)O ed1c58142b5d5eed74956f954dbf3a4e [0,1,0,1,0,0|1,0,0]=3 7236 B9R1.7 O=CNC1CCC(C1)O 9cc0bb9735d2014b640fab8dcfdfefc4 [0,1,0,1,0,0|1,0,0]=3 7237 B9R1.7 O=CN[C@@H]1CC[C@@H](C1)O 6b6f95f63e2bfc66d50e9dc0e05ccf52 [0,1,0,1,0,0|1,0,0]=3 7238 B9R1.7 O=CN[C@@H]1CC[C@H](C1)O 05e9ad2eeb1cb0070327160fd3027c54 [0,1,0,1,0,0|1,0,0]=3 7239 B9R1.7 O=CN[C@H]1CC[C@@H](C1)O 2acd9ee67829d57d2e126fa249833c6a [0,1,0,1,0,0|1,0,0]=3 7240 B9R1.7 O=CN[C@H]1CC[C@H](C1)O 94a849c4445c8edddaa5dbfc86e7851c [0,1,0,1,0,0|1,0,0]=3 7241 B9R1.8 C=CCN1CCCOC1 0d94609b61d76367df1116c2c47084db [0,1,0,1,0,0|2,0,0]=4 7242 B9R1.8 C=CCN1CCCSC1 2ce38f48adbaa4615b27a1536d50f38d [0,1,0,1,0,0|2,0,0]=4 7243 B9R1.8 C=CCN1CCOCC1 5e12b1389a0bfa406f9fef1b3c7d6b72 [0,1,0,1,0,0|2,0,0]=4 7244 B9R1.8 C=CCN1CCSCC1 f86f272d1730823b17a2fdbeebc0cfe0 [0,1,0,1,0,0|2,0,0]=4 7245 B9R1.8 CCCN1CC=CCC1 b2b2bdd1f884fc798a7998521a87c745 [0,1,0,1,0,0|1,0,1]=4 7246 B9R1.8 CCCN1CCCOC1 f24207267ec2bfd6a98a300d3d8157f4 [0,1,0,1,0,0|2,0,0]=4 7247 B9R1.8 CCCN1CCCSC1 fc4ecc758cc6d6867cee0458403a64c8 [0,1,0,1,0,0|2,0,0]=4 7248 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,1,0,1,0,0|1,0,0]=3 7249 B9R1.8 CCNC1CCCOC1 44e7a9c60ab74c80ef1160380a9b9fb7 [0,1,0,1,0,0|2,0,0]=4 7250 B9R1.8 CCN[C@@H]1CCCOC1 6c80b60090682b5fd207bb8d7a62fd53 [0,1,0,1,0,0|2,0,0]=4 7251 B9R1.8 CCN[C@H]1CCCOC1 e5738a32ab8207497f49a57ad67aa158 [0,1,0,1,0,0|2,0,0]=4 7252 B9R1.8 CCOC1C=CCCC1 7b09c8f3de0d6e6b8ab9978bfcb2c07e [0,1,0,1,0,0|1,0,0]=3 7253 B9R1.8 CCOC1CC=CCC1 cefd106d480c96ab62434f76bf5fbc62 [0,1,0,1,0,0|1,0,1]=4 7254 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,1,0,1,0,0|1,0,1]=4 7255 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [0,1,0,1,0,0|0,0,2]=4 7256 B9R1.8 CCOC1CCCOC1 28e0b80b41504c5ce6342a42ff1482ae [0,1,0,1,0,0|2,0,0]=4 7257 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [0,1,0,1,0,0|2,0,0]=4 7258 B9R1.8 CCO[C@@H]1CCCOC1 e2635ce7ad18ae3f1004b0745c859319 [0,1,0,1,0,0|2,0,0]=4 7259 B9R1.8 CCO[C@H]1CCCOC1 bd7b8624ac6ebefc862948904b1aa0ec [0,1,0,1,0,0|2,0,0]=4 7260 B9R1.8 FCNC1C=CCCC1 a6c9055f0f7c2d63d4cffedb1b919b0e [0,1,0,1,0,0|2,0,0]=4 7261 B9R1.8 FCOC1C=CCCC1 f72e691aa681616e4382982069cb2aab [0,1,0,1,0,0|2,0,0]=4 7262 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [0,1,0,1,0,0|1,0,1]=4 7263 B9R1.8 N#CNC1CCCCC1 14c8ce9cbe924ba6f271cfe05dd2a4e7 [0,1,0,1,0,0|1,0,1]=4 7264 B9R1.8 O=CCN1CC=CCC1 9f54362e8ce21beda43dc22a34b679c8 [0,1,0,1,0,0|0,0,2]=4 7265 B9R1.8 O=CCN1CCCOC1 709ce0dcd7369ac00ecc2d178dc45731 [0,1,0,1,0,0|1,0,0]=3 7266 B9R1.8 O=CCN1CCCSC1 c444ef249aa1c28412dad52581423289 [0,1,0,1,0,0|1,0,0]=3 7267 B9R1.8 O=CCN1CCOCC1 778eddfbfb27d7c608e1655d14d4d3d5 [0,1,0,1,0,0|1,0,0]=3 7268 B9R1.8 O=CCN1CCSCC1 9430518bfe46cf3dbda46338d6c1da9e [0,1,0,1,0,0|1,0,0]=3 7269 B9R1.8 O=CNC1C=CCCC1 3b9c7cf73f1743de12a2aebb90ff96c3 [0,1,0,1,0,0|0,0,2]=4 7270 B9R1.8 O=CNC1CCCOC1 230b24f50ce1e8c0a34eb41e94513599 [0,1,0,1,0,0|1,0,0]=3 7271 B9R1.8 O=CNC1CCOCC1 e1b43468903b1fa23f622360e9159712 [0,1,0,1,0,0|1,0,0]=3 7272 B9R1.8 O=CNC1CSCSC1 3f4ede79324d21ba3da383abbe568831 [0,1,0,1,0,0|2,0,0]=4 7273 B9R1.8 O=CN[C@@H]1CCCOC1 83c33e90ba16c0a9e9741e4f12c1fbfc [0,1,0,1,0,0|1,0,0]=3 7274 B9R1.8 O=CN[C@H]1CCCOC1 37e29b35f2ab9b94e3109d2bf0c29f79 [0,1,0,1,0,0|1,0,0]=3 7275 B9R1.8 OCNC1C=CCCC1 1877ec9d2ea79131b01ea5cbad981f77 [0,1,0,1,0,0|2,0,0]=4 7276 B9R1.9 C=C1CC(C1)COCC 48ae8821d11d89700a785dcc61dc7970 [0,1,0,1,0,0|2,0,0]=4 7277 B9R1.9 C=CCCN1CC(C1)F 45d0f8a83d887feacfb62beb5041c9fb [0,1,0,1,0,0|2,0,0]=4 7278 B9R1.9 C=CCCN1CC(C1)O f50aa13ebdd017d0632f23171add63b4 [0,1,0,1,0,0|2,0,0]=4 7279 B9R1.9 C=CCNC1CC(C1)F 918f4577853cbecdb6e3b005ec95d53c [0,1,0,1,0,0|2,0,0]=4 7280 B9R1.9 C=CCNC1CC(C1)O 96b31fbbe62f6fdd1561782421bc6939 [0,1,0,1,0,0|2,0,0]=4 7281 B9R1.9 C=CCN[C@H]1C[C@@H](C1)F 51d1cc69d20d7d78a8e456ba565e4f88 [0,1,0,1,0,0|2,0,0]=4 7282 B9R1.9 C=CCN[C@H]1C[C@@H](C1)O ada553fad69d3aa49971c0b8088566ec [0,1,0,1,0,0|2,0,0]=4 7283 B9R1.9 C=CCN[C@H]1C[C@H](C1)F b61a86901aa41e7b5d4bc2ec917435fa [0,1,0,1,0,0|2,0,0]=4 7284 B9R1.9 C=CCN[C@H]1C[C@H](C1)O 9721795a7d375e23d331cefba4a3f346 [0,1,0,1,0,0|2,0,0]=4 7285 B9R1.9 C=CCOC1CC(C1)C b3d57b7f4ff05f28889c77392a995c98 [0,1,0,1,0,0|2,0,0]=4 7286 B9R1.9 C=CCOC1CC(C1)F d35e60ae0165ec1cc3bc44c26309d142 [0,1,0,1,0,0|2,0,0]=4 7287 B9R1.9 C=CCO[C@H]1C[C@@H](C1)F 14e66f7976f502d0564ec690ba0bc512 [0,1,0,1,0,0|2,0,0]=4 7288 B9R1.9 C=CCO[C@H]1C[C@H](C1)F c408beca20a3ffcb0360f6c479e2270c [0,1,0,1,0,0|2,0,0]=4 7289 B9R1.9 CC1CC(C1)OCC=O 0d59e4bb94b77ec144f5dd7165775259 [0,1,0,1,0,0|1,0,0]=3 7290 B9R1.9 CCCNC1CC(=O)C1 367843f6c154ea9b1b2ab5b6982e35c8 [0,1,0,1,0,0|1,0,0]=3 7291 B9R1.9 CCCOC1CC(=O)C1 cb8b05388c0c6b6c847ea07bd6f740db [0,1,0,1,0,0|1,0,0]=3 7292 B9R1.9 CCOCC1CC(=O)C1 314fc2b69b99eb56a50a5b1c782af7e0 [0,1,0,1,0,0|1,0,0]=3 7293 B9R1.9 CCOCC1CC(=O)N1 4d4a394646263ac2a76d63e6bf0523d3 [0,1,0,1,0,0|1,0,0]=3 7294 B9R1.9 CCOC[C@@H]1CC(=O)N1 0014850b07eba2466726f06d24d9917a [0,1,0,1,0,0|1,0,0]=3 7295 B9R1.9 CCOC[C@H]1CC(=O)N1 7563fb6dd848526ece65c4c755fed6d6 [0,1,0,1,0,0|1,0,0]=3 7296 B9R1.9 CN1CC(C1)CNC=O 384f00f3399c5a84ff08efb5619e33ba [0,1,0,1,0,0|2,0,0]=4 7297 B9R1.9 CN1CC(C1)NCC=O 9a1a96f2bc0dc93aa0dc916689789914 [0,1,0,1,0,0|2,0,0]=4 7298 B9R1.9 CN1CC(C1)OCC=O 3b6b6c10201587c6609e37a5efd1c4c2 [0,1,0,1,0,0|2,0,0]=4 7299 B9R1.9 COCOC1CC(=O)C1 8668624ce3b6413d2a3dc8800c63dbda [0,1,0,1,0,0|2,0,0]=4 7300 B9R1.9 CSCOC1CC(=O)C1 39e00fbf30d04523ee40a1edd59aaba8 [0,1,0,1,0,0|2,0,0]=4 7301 B9R1.9 O=C1CC(C1)COCF 40a74e1a68fee1bdbb36e00f94af9ff8 [0,1,0,1,0,0|2,0,0]=4 7302 B9R1.9 O=C1CC(C1)NCCI 48572f58f0e7fa4c6fcc90263fe943a2 [0,1,0,1,0,0|2,0,0]=4 7303 B9R1.9 O=C1CC(C1)NCCO d34b558d58ee7ed4205d86ea2fc98ca9 [0,1,0,1,0,0|2,0,0]=4 7304 B9R1.9 O=C1CC(C1)NCCS f43216e2dd4a95f28553da7f3ea34dcf [0,1,0,1,0,0|2,0,0]=4 7305 B9R1.9 O=C1CC(C1)OCCF 4aeea742a38f8f9b865774b021b74956 [0,1,0,1,0,0|2,0,0]=4 7306 B9R1.9 O=C1CC(C1)OCCS d717ffd00e0e75dabfa2c47876548796 [0,1,0,1,0,0|2,0,0]=4 7307 B9R1.9 O=C1CC(N1)COCF 8c8da847da5d4ae8c513496e6185d24d [0,1,0,1,0,0|2,0,0]=4 7308 B9R1.9 O=C1C[C@@H](N1)COCF f8d22592a601004b3477b516e97928c4 [0,1,0,1,0,0|2,0,0]=4 7309 B9R1.9 O=C1C[C@H](N1)COCF a34390cbe63d9463a1a24d40571f2079 [0,1,0,1,0,0|2,0,0]=4 7310 B9R1.9 O=CCCN1CC(C1)F 893b92b557f29d77412ce2ef4c7a68ef [0,1,0,1,0,0|1,0,0]=3 7311 B9R1.9 O=CCCN1CC(C1)O e483748e3ac3e622af19b88ffdf5a861 [0,1,0,1,0,0|1,0,0]=3 7312 B9R1.9 O=CCNC1CC(C1)F 39b69c8e96f0a1fac13c31115147b839 [0,1,0,1,0,0|1,0,0]=3 7313 B9R1.9 O=CCNC1CC(C1)O 31c10ea322165ed3f5521f7689ad7dd7 [0,1,0,1,0,0|1,0,0]=3 7314 B9R1.9 O=CCN[C@H]1C[C@@H](C1)F 98e6c264267a37b09c490ef9401105be [0,1,0,1,0,0|1,0,0]=3 7315 B9R1.9 O=CCN[C@H]1C[C@@H](C1)O ff344cdf5ee5b8296238fe3acaba4d1b [0,1,0,1,0,0|1,0,0]=3 7316 B9R1.9 O=CCN[C@H]1C[C@H](C1)F b363bd59707a68b524463cfa4adaddf6 [0,1,0,1,0,0|1,0,0]=3 7317 B9R1.9 O=CCN[C@H]1C[C@H](C1)O 93ae6fb52bbb742701555f64c5434649 [0,1,0,1,0,0|1,0,0]=3 7318 B9R1.9 O=CCOC1CC(=O)C1 ff5f98bc8a759bd102cb279db1f09b76 [0,1,0,1,0,0|1,0,1]=4 7319 B9R1.9 O=CCOC1CC(C1)F 315ce5aac7154fe9575e29414714dc14 [0,1,0,1,0,0|1,0,0]=3 7320 B9R1.9 O=CCO[C@H]1C[C@@H](C1)F 3fbc260574951966297c602401c661f0 [0,1,0,1,0,0|1,0,0]=3 7321 B9R1.9 O=CCO[C@H]1C[C@H](C1)F c315354142d9aa477691b397a1888b0d [0,1,0,1,0,0|1,0,0]=3 7322 B9R1.9 O=CNCC1CC(C1)O 5e14208997e986b49a6aae55f9c144f1 [0,1,0,1,0,0|1,0,0]=3 7323 B9R1.9 O=CNC[C@H]1C[C@@H](C1)O 3dee0db2d5bf506e50a82c499eabac6d [0,1,0,1,0,0|1,0,0]=3 7324 B9R1.9 O=CNC[C@H]1C[C@H](C1)O 169fdea2db0fbb0ea0c1cd0a75cdd0ef [0,1,0,1,0,0|1,0,0]=3 7325 B9R1.12 BrCCNC1CCCC1 c6c521b2ce9b0d6d3447aa138bc49678 [0,1,0,1,0,0|1,0,1]=4 7326 B9R1.12 C#CCNC1CCCC1 bab2cf4d1a3a0b3999fbbf85541445ba [0,1,0,1,0,0|1,0,1]=4 7327 B9R1.12 C#CCOC1CCCC1 8722ca3512977b1a522adee489822a80 [0,1,0,1,0,0|1,0,1]=4 7328 B9R1.12 C=CCCN1CCSC1 0e6122f82e19674b62d031829ef6e6c3 [0,1,0,1,0,0|2,0,0]=4 7329 B9R1.12 C=CCNC1CCCC1 a44dfccd7811107fa017bf97428af755 [0,1,0,1,0,0|1,0,0]=3 7330 B9R1.12 C=CCNC1CCOC1 ea493534a3434e7220120397f61bb0e6 [0,1,0,1,0,0|2,0,0]=4 7331 B9R1.12 C=CCNC1CCSC1 118e8906c12dbc779536d0b48270d62c [0,1,0,1,0,0|2,0,0]=4 7332 B9R1.12 C=CCN[C@@H]1CCOC1 7035ccf177ffc1ca49976e3b793372d4 [0,1,0,1,0,0|2,0,0]=4 7333 B9R1.12 C=CCN[C@H]1CCOC1 8d426b114cc41c530f1ba50398b1426e [0,1,0,1,0,0|2,0,0]=4 7334 B9R1.12 C=CCOC1CCCC1 22f7677a5a2db535f14966e96785d78f [0,1,0,1,0,0|1,0,0]=3 7335 B9R1.12 C=CCOC1CCCO1 07dc06b14814543ad8fc1e6830b8ad31 [0,1,0,1,0,0|2,0,0]=4 7336 B9R1.12 C=CCOC1CCOC1 f7dcb259ebd712ed1d20050b5ae42528 [0,1,0,1,0,0|2,0,0]=4 7337 B9R1.12 C=CCOC1CCSC1 91499e92622fab1e7f2c5e46ab4d9b5c [0,1,0,1,0,0|2,0,0]=4 7338 B9R1.12 C=CCO[C@@H]1CCOC1 1c87c5212babdae70db54e2b4f5cebba [0,1,0,1,0,0|2,0,0]=4 7339 B9R1.12 C=CCO[C@@H]1CCSC1 c475f04d972d75c445b64dea1f91dbe8 [0,1,0,1,0,0|2,0,0]=4 7340 B9R1.12 C=CCO[C@H]1CCOC1 6ac41eef9f664c640abe61f0570c0c4d [0,1,0,1,0,0|2,0,0]=4 7341 B9R1.12 C=CCO[C@H]1CCSC1 3a48bba6ccea0d1c14e655596734cc66 [0,1,0,1,0,0|2,0,0]=4 7342 B9R1.12 CCCCN1CC=CC1 322529f714caf4fee6378b578ed9b062 [0,1,0,1,0,0|1,0,1]=4 7343 B9R1.12 CCCCN1CCSC1 eb973459745f14d3b9e84a65caeb4d73 [0,1,0,1,0,0|2,0,0]=4 7344 B9R1.12 CCCNC1CC=CC1 3f3ef76b8e489627d540bbb82fd9afa3 [0,1,0,1,0,0|1,0,1]=4 7345 B9R1.12 CCCNC1CCCC1 6c561cdfdd3ce17ce90e8fda71317d57 [0,1,0,1,0,0|1,0,1]=4 7346 B9R1.12 CCCNC1CCOC1 8aa4794435ee80b6e90e022aed381d39 [0,1,0,1,0,0|2,0,0]=4 7347 B9R1.12 CCCNC1CCSC1 023898adfd5e887d7d4eb31ae8590a2f [0,1,0,1,0,0|2,0,0]=4 7348 B9R1.12 CCCN[C@@H]1CCOC1 8731fe7bb7ba2b0f318f1146b2eb04ff [0,1,0,1,0,0|2,0,0]=4 7349 B9R1.12 CCCN[C@H]1CCOC1 5f78ec583f0541e99fcedcac0aab945c [0,1,0,1,0,0|2,0,0]=4 7350 B9R1.12 CCCOC1C=CCC1 c828ce14c6c0406fcb0a810d3d8e329e [0,1,0,1,0,0|1,0,0]=3 7351 B9R1.12 CCCOC1CC=CC1 285ed002ac68ed1b1a9e755794aa3e39 [0,1,0,1,0,0|1,0,1]=4 7352 B9R1.12 CCCOC1CCCC1 8b31bdd2ae6636509668964f17d3af12 [0,1,0,1,0,0|1,0,1]=4 7353 B9R1.12 CCCOC1CCCO1 4e4ce5597ea66ad501ec25fa53d020dd [0,1,0,1,0,0|0,0,2]=4 7354 B9R1.12 CCCOC1CCOC1 8cbb45f98e2fad4f08813db013294a6a [0,1,0,1,0,0|2,0,0]=4 7355 B9R1.12 CCCOC1CCSC1 fc9e487eb825d14f235b876c3bbdabe1 [0,1,0,1,0,0|2,0,0]=4 7356 B9R1.12 CCCO[C@@H]1CCOC1 0ced0c25035c746f7789ae5343f851de [0,1,0,1,0,0|2,0,0]=4 7357 B9R1.12 CCCO[C@@H]1CCSC1 857d38deec95d71a6c13b08d35a3e44d [0,1,0,1,0,0|2,0,0]=4 7358 B9R1.12 CCCO[C@H]1CCOC1 1602edfc26983fb15df3b9be5c904156 [0,1,0,1,0,0|2,0,0]=4 7359 B9R1.12 CCCO[C@H]1CCSC1 04bf48acf94ce8449471813ae1bee855 [0,1,0,1,0,0|2,0,0]=4 7360 B9R1.12 CCNCC1CC=CC1 0155ac7e0faacaa64131a75b89f84895 [0,1,0,1,0,0|1,0,1]=4 7361 B9R1.12 CCNCC1CCCC1 5a3ad05440161202bff87c340c2ae6eb [0,1,0,1,0,0|1,0,1]=4 7362 B9R1.12 CCNCC1CCCO1 0d10918d6022ab0ba029f9bc507ef0d5 [0,1,0,1,0,0|0,0,2]=4 7363 B9R1.12 CCNCC1CCOC1 6d12a38928caf06de03d6ba41184df23 [0,1,0,1,0,0|2,0,0]=4 7364 B9R1.12 CCNC[C@@H]1CCCO1 b1829889cbf982f3fcb1bb0335d251c8 [0,1,0,1,0,0|0,0,2]=4 7365 B9R1.12 CCNC[C@@H]1CCOC1 40248396918497bc57b744b3d8e84c74 [0,1,0,1,0,0|2,0,0]=4 7366 B9R1.12 CCNC[C@H]1CCCO1 5696667f73ca7c93f1dd7a4fdf14dc92 [0,1,0,1,0,0|0,0,2]=4 7367 B9R1.12 CCNC[C@H]1CCOC1 baba2e16764a3a1555b4742a47a27539 [0,1,0,1,0,0|2,0,0]=4 7368 B9R1.12 CCOCC1C=CCC1 608a599d2ce1d9806fd4dc0424859b06 [0,1,0,1,0,0|1,0,0]=3 7369 B9R1.12 CCOCC1CC=CC1 a3a17a9f51c4b119d1fe6e0644aabdcf [0,1,0,1,0,0|1,0,1]=4 7370 B9R1.12 CCOCC1CCCC1 78dfb99153363e6ae71186392081c4c4 [0,1,0,1,0,0|1,0,1]=4 7371 B9R1.12 CCOCC1CCCO1 2054eb6e81b646f33dc6d98216be64f2 [0,1,0,1,0,0|0,0,2]=4 7372 B9R1.12 CCOCC1CCCS1 fda5a0c4a41f4031af715e57eedde033 [0,1,0,1,0,0|0,1,1]=4 7373 B9R1.12 CCOCC1CCOC1 081b8a302e395d21423b992decfc7864 [0,1,0,1,0,0|2,0,0]=4 7374 B9R1.12 CCOC[C@@H]1CCCO1 a2ec9082c3cefa87960b2eb598c83c97 [0,1,0,1,0,0|0,0,2]=4 7375 B9R1.12 CCOC[C@@H]1CCOC1 110af67d4a3e1691dca41b1082ecc779 [0,1,0,1,0,0|2,0,0]=4 7376 B9R1.12 CCOC[C@H]1CCCO1 2cdc5ffd4542ac26ce370875427cfda2 [0,1,0,1,0,0|0,0,2]=4 7377 B9R1.12 CCOC[C@H]1CCOC1 324f1ca870799e717de7b33cf11a0c3d [0,1,0,1,0,0|2,0,0]=4 7378 B9R1.12 COCNC1CCCC1 69ef5e2fdd70a2f2bb46ba3386c41e11 [0,1,0,1,0,0|2,0,0]=4 7379 B9R1.12 COCOC1C=CCC1 60321e5ed5ab9ce1c7795d52a55da74c [0,1,0,1,0,0|2,0,0]=4 7380 B9R1.12 COCOC1CCCC1 2943e1e93dd873c7391396ec9633419e [0,1,0,1,0,0|2,0,0]=4 7381 B9R1.12 CSCNC1CCCC1 2e1014ab5233abcd36004d67c2d1ee5e [0,1,0,1,0,0|2,0,0]=4 7382 B9R1.12 CSCOC1C=CCC1 2f30b39bea57bfbdbcf87990323d89a9 [0,1,0,1,0,0|2,0,0]=4 7383 B9R1.12 CSCOC1CCCC1 4d4f03fa523a880c781e82e000450363 [0,1,0,1,0,0|2,0,0]=4 7384 B9R1.12 FCCNC1CCCC1 eaad322a8d099d7489668f25d58860c1 [0,1,0,1,0,0|1,0,1]=4 7385 B9R1.12 FCCOC1C=CCC1 cbc2e8ffa027bf1f463d41314a949221 [0,1,0,1,0,0|2,0,0]=4 7386 B9R1.12 FCCOC1CCCC1 b4ff08bedab1a43d91a75b49048b20b0 [0,1,0,1,0,0|1,0,1]=4 7387 B9R1.12 FCNCC1CCCC1 9277e70e00c6b640519328c5935762a1 [0,1,0,1,0,0|1,0,1]=4 7388 B9R1.12 FCOCC1C=CCC1 e1fbfd93ee3ac19dc132c9e982f50f7b [0,1,0,1,0,0|2,0,0]=4 7389 B9R1.12 FCOCC1CCCC1 adc3b963cccb9f54cfa066ef371e1987 [0,1,0,1,0,0|1,0,1]=4 7390 B9R1.12 ICCNC1CCCC1 19ea301c24e23b4e61e0ae848fc57619 [0,1,0,1,0,0|1,0,1]=4 7391 B9R1.12 N#CCNC1CCCC1 40d38e67cd27d41fafc6d2da3d4aae5d [0,1,0,1,0,0|1,0,1]=4 7392 B9R1.12 N#CCOC1CCCC1 597d114ba6fc77410ee8043a322c52e4 [0,1,0,1,0,0|1,0,1]=4 7393 B9R1.12 N#CNCC1CCCC1 8df0afa5a5630c668b31e6e3115a54cd [0,1,0,1,0,0|1,0,1]=4 7394 B9R1.12 O=CCCN1CC=CC1 d02abbefd4305e1c7f2f3d45de67d01c [0,1,0,1,0,0|0,0,2]=4 7395 B9R1.12 O=CCCN1CCSC1 819953bd2902a335952003d0e2062a4c [0,1,0,1,0,0|1,0,0]=3 7396 B9R1.12 O=CCNC1CC=CC1 f6cdfd7b8f2d10336a1b7832164f52bf [0,1,0,1,0,0|0,0,2]=4 7397 B9R1.12 O=CCNC1CCCC1 5c29f4b53ebb87f60f2e590cae79d70e [0,1,0,1,0,0|0,0,0]=2 7398 B9R1.12 O=CCNC1CCOC1 5ebd18c32723aecf0a10ba0b1026f623 [0,1,0,1,0,0|1,0,0]=3 7399 B9R1.12 O=CCNC1CCSC1 94dd37d0be671d43fdf2361d32027eb7 [0,1,0,1,0,0|1,0,0]=3 7400 B9R1.12 O=CCN[C@@H]1CCOC1 c004fef25816fba950d6dc5d24530df6 [0,1,0,1,0,0|1,0,0]=3 7401 B9R1.12 O=CCN[C@H]1CCOC1 9ca8efb181f33f329c38592f6f8b2f1d [0,1,0,1,0,0|1,0,0]=3 7402 B9R1.12 O=CCOC1C=CCC1 41dbe9bc4abbc85f5c193c497af03476 [0,1,0,1,0,0|0,0,2]=4 7403 B9R1.12 O=CCOC1CC=CC1 aada3e65c14b3e8caa11088140cc3e4a [0,1,0,1,0,0|0,0,2]=4 7404 B9R1.12 O=CCOC1CCCC1 a6adf3d3a9898d822d20d244584a5d22 [0,1,0,1,0,0|0,0,0]=2 7405 B9R1.12 O=CCOC1CCCO1 b12387ccaf578e9136cfdda5442c6ed5 [0,1,0,1,0,0|1,0,0]=3 7406 B9R1.12 O=CCOC1CCOC1 dc39bcd71af6fa4a51e765dc1c7cc22b [0,1,0,1,0,0|1,0,0]=3 7407 B9R1.12 O=CCOC1CCSC1 d2117f08ca242a7df7aed3c889c7183d [0,1,0,1,0,0|1,0,0]=3 7408 B9R1.12 O=CCO[C@@H]1CCOC1 ba6a023905b97fe4c3886891f0169109 [0,1,0,1,0,0|1,0,0]=3 7409 B9R1.12 O=CCO[C@@H]1CCSC1 c32996f1fdfc0ecf3541c8ebef4f1bfc [0,1,0,1,0,0|1,0,0]=3 7410 B9R1.12 O=CCO[C@H]1CCOC1 ba4a88d81a344c083f0092fd5cbc39ac [0,1,0,1,0,0|1,0,0]=3 7411 B9R1.12 O=CCO[C@H]1CCSC1 1a840422c6e1aec7b7491b309995c9af [0,1,0,1,0,0|1,0,0]=3 7412 B9R1.12 O=CNCC1CC=CC1 f54214a5a608f9244ca21932b1b19ef8 [0,1,0,1,0,0|0,0,2]=4 7413 B9R1.12 O=CNCC1CCCC1 07bc0016cbba20adfd4b5def8fc2be28 [0,1,0,1,0,0|0,0,0]=2 7414 B9R1.12 O=CNCC1CCCO1 119dc507c9398e42b1f4ed984596ee10 [0,1,0,1,0,0|1,0,0]=3 7415 B9R1.12 O=CNCC1CCOC1 d0a8b11bfe41f1a2881d21d4b8d8fda7 [0,1,0,1,0,0|1,0,0]=3 7416 B9R1.12 O=CNC[C@@H]1CCCO1 1db6e6cf4b42f513cad73704b19cd2ea [0,1,0,1,0,0|1,0,0]=3 7417 B9R1.12 O=CNC[C@@H]1CCOC1 0cdeaf208e802b3ac6af755e7b6ce1c7 [0,1,0,1,0,0|1,0,0]=3 7418 B9R1.12 O=CNC[C@H]1CCCO1 d67473c99765cbcf463c4cc54c44cf84 [0,1,0,1,0,0|1,0,0]=3 7419 B9R1.12 O=CNC[C@H]1CCOC1 3972f408d9cc05ccac06471e1022cfb3 [0,1,0,1,0,0|1,0,0]=3 7420 B9R1.12 OCCNC1CCCC1 9d5f875d5eb73651d88d7104c6380a67 [0,1,0,1,0,0|0,0,2]=4 7421 B9R1.12 OCNCC1CCCC1 63e67e159d02f35a31c5acd4ee272edf [0,1,0,1,0,0|0,0,2]=4 7422 B9R1.12 SCCNC1CCCC1 e2eae66ddbb4a3e20964edeb91df585c [0,1,0,1,0,0|0,1,1]=4 7423 B9R1.12 SCCOC1C=CCC1 1eb2ad05048032626f6f74234cb19e24 [0,1,0,1,0,0|2,0,0]=4 7424 B9R1.12 SCCOC1CCCC1 ce0001e3012cc122d56bcdd753ee7ed0 [0,1,0,1,0,0|0,1,1]=4 7425 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [0,1,0,1,0,0|0,0,0]=2 7426 B9R1.15 CC1CCCCN1CF d88c0fc977e244cef0165c65eaf60df6 [0,1,0,1,0,0|1,0,1]=4 7427 B9R1.15 CC1CCCCN1CO 51fa6066fe243cadf796064968abed1d [0,1,0,1,0,0|0,0,2]=4 7428 B9R1.15 CC1COCCN1C=O 04bb76f81435fa2bb54099b84251b430 [0,1,0,1,0,0|1,0,0]=3 7429 B9R1.15 CCN1CCCCC1C 28e743f092b5d55e839b70e50dc82b80 [0,1,0,1,0,0|1,0,1]=4 7430 B9R1.15 CCN1CCCC[C@@H]1C d0a42fe80f49390641bb4a8e5e43e1b0 [0,1,0,1,0,0|1,0,1]=4 7431 B9R1.15 CCN1CCCC[C@H]1C 61ad9d261f1361a702e2f429d28a7219 [0,1,0,1,0,0|1,0,1]=4 7432 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [0,1,0,1,0,0|0,0,0]=2 7433 B9R1.15 C[C@@H]1CCCCN1CF f954ea957f61bd82bd8819d1554013e8 [0,1,0,1,0,0|1,0,1]=4 7434 B9R1.15 C[C@@H]1CCCCN1CO 48a916b223b43cd97604cd793c27c7ee [0,1,0,1,0,0|0,0,2]=4 7435 B9R1.15 C[C@@H]1COCCN1C=O 0c7d5e9730004733a4641e1221ef05f8 [0,1,0,1,0,0|1,0,0]=3 7436 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [0,1,0,1,0,0|0,0,0]=2 7437 B9R1.15 C[C@H]1CCCCN1CF 4b526ffb905b85ad6875d291622a9b36 [0,1,0,1,0,0|1,0,1]=4 7438 B9R1.15 C[C@H]1CCCCN1CO c9f51543a38eb85e2bdab1d085a77a87 [0,1,0,1,0,0|0,0,2]=4 7439 B9R1.15 C[C@H]1COCCN1C=O 768699be3648dab4c6a8b1f24cf31cd1 [0,1,0,1,0,0|1,0,0]=3 7440 B9R1.18 CCN[C@H]1C[C@@H]1COC 861d94dd2645fe0c74a317fb9f8d0fbf [0,1,0,1,0,0|2,0,0]=4 7441 B9R1.18 CCN[C@H]1C[C@H]1COC d7fd21f23497fe2567b4cb4aa20db5d4 [0,1,0,1,0,0|2,0,0]=4 7442 B9R1.18 COC[C@@H]1C[C@@H]1NC=O e8a9d54923fee9355d76b1ab2fc703fa [0,1,0,1,0,0|1,0,0]=3 7443 B9R1.18 COC[C@H]1C[C@@H]1NC=O 51a259aae5519abbdb003acfe8bc77a1 [0,1,0,1,0,0|1,0,0]=3 7444 B9R1.20 C#CCNC1CC1C=O b75f2d493c925157b694a7feb44cad38 [0,1,0,1,0,0|0,0,2]=4 7445 B9R1.20 C#CCOC1CC1C=O 2fd19051cb1890c263c197ba9b33547a [0,1,0,1,0,0|0,0,2]=4 7446 B9R1.20 C#C[C@H]1C[C@H]1COCC cd0507b4c458571f1494dfd7488e3e5b [0,1,0,1,0,0|1,0,1]=4 7447 B9R1.20 C=CCN[C@@H]1C[C@@H]1OC 3e743cbe714c3be47e9afb0aef69a80e [0,1,0,1,0,0|2,0,0]=4 7448 B9R1.20 C=CCN[C@@H]1C[C@H]1CO 5a470639871d5384a829ea98fb7e2b66 [0,1,0,1,0,0|2,0,0]=4 7449 B9R1.20 C=CCN[C@H]1C[C@@H]1CO 8bf35402861ef1031aad3be89ccfe4ed [0,1,0,1,0,0|2,0,0]=4 7450 B9R1.20 C=CCN[C@H]1C[C@H]1CO 106ca9072f8f4742e578ecd95bfbfb48 [0,1,0,1,0,0|2,0,0]=4 7451 B9R1.20 CCCNC1CC1C=O 5a1255ba47b3f9b77a8f94f9f9e96699 [0,1,0,1,0,0|0,0,0]=2 7452 B9R1.20 CCCN[C@@H]1C[C@@H]1OC 825a0d4a5ca05cfeadb76c25af276c7f [0,1,0,1,0,0|2,0,0]=4 7453 B9R1.20 CCCN[C@@H]1C[C@H]1CO 01648121b5a98061b42153e4ab393cb1 [0,1,0,1,0,0|0,0,2]=4 7454 B9R1.20 CCCN[C@H]1C[C@@H]1CO a1b2b11710ee676daec5dfb5dac0dd9a [0,1,0,1,0,0|0,0,2]=4 7455 B9R1.20 CCCN[C@H]1C[C@H]1CO 4d8b1610d3004ae2b8fad1ac32f50857 [0,1,0,1,0,0|0,0,2]=4 7456 B9R1.20 CCCOC1CC1C=O 31262bf4a61a94a8c2a2cb7b4ef3e962 [0,1,0,1,0,0|0,0,0]=2 7457 B9R1.20 CCNCC1CC1CO cbd7260b3c76e2ddd15b4e5660cc138c [0,1,0,1,0,0|0,0,2]=4 7458 B9R1.20 CCOCC1CC1C#N 1ccbeb52b5e0c701a2b3bf93d18b9481 [0,1,0,1,0,0|1,0,1]=4 7459 B9R1.20 COCOC1CC1C=O c319311ff32df99d9df72e297622b91b [0,1,0,1,0,0|1,0,0]=3 7460 B9R1.20 CO[C@H]1C[C@H]1NCC=O a5564d0e9296ad2a5285dd25438bff78 [0,1,0,1,0,0|1,0,0]=3 7461 B9R1.20 N#CCNC1CC1C=O a2a4467e49e3c53c30000a88681eaf32 [0,1,0,1,0,0|1,0,1]=4 7462 B9R1.20 N#CCOC1CC1C=O 81f019702ee2bbf1a4976418e82f5a36 [0,1,0,1,0,0|1,0,1]=4 7463 B9R1.20 O=CC1CC1NCCBr 388e7e5bf8f46219c6c674717a0bcca9 [0,1,0,1,0,0|1,0,0]=3 7464 B9R1.20 O=CC1CC1NCCF bdcd63c436f1c6e429d04b5125869608 [0,1,0,1,0,0|1,0,0]=3 7465 B9R1.20 O=CC1CC1NCCI 3f251dd0770ad449efaf191f3450d62d [0,1,0,1,0,0|1,0,0]=3 7466 B9R1.20 O=CC1CC1NCCO d5edf66784041201e0b25f9c09b6d2e2 [0,1,0,1,0,0|1,0,0]=3 7467 B9R1.20 O=CC1CC1NCCS 69c43f278bf510cdb9286fa30b4e6b0d [0,1,0,1,0,0|1,0,0]=3 7468 B9R1.20 O=CC1CC1OCCF d7daf990654b2937f44bf00a5852616c [0,1,0,1,0,0|1,0,0]=3 7469 B9R1.20 O=CC1CC1OCCS 33ec9ebf7ade6482ca866b2176954a1d [0,1,0,1,0,0|1,0,0]=3 7470 B9R1.20 O=CCN[C@@H]1C[C@H]1CO a4e1554de94d067c3fbd12eb0ed1b3f1 [0,1,0,1,0,0|1,0,0]=3 7471 B9R1.20 O=CCN[C@H]1C[C@@H]1CO a3f19837da9d9b9253d8cd3345c66dca [0,1,0,1,0,0|1,0,0]=3 7472 B9R1.20 O=CCN[C@H]1C[C@H]1CO f97d674d9d53873e0127292fa661202b [0,1,0,1,0,0|1,0,0]=3 7473 B9R1.20 O=CNCC1CC1CO a4206d433de73e574d80fb3fe1eae53b [0,1,0,1,0,0|1,0,0]=3 7474 B9R1.22 C[C@@H]1C[C@@H](CN1C=O)F 866cd1b9eac3b26ebefcf0449eb1d12f [0,1,0,1,0,0|1,0,0]=3 7475 B9R1.22 C[C@@H]1C[C@@H](CN1C=O)O b40143ee8e48cfd770829911a8b46f8d [0,1,0,1,0,0|1,0,0]=3 7476 B9R1.22 C[C@@H]1C[C@H](CN1C=O)F 22fa3c0587ce380260a265b5d4b87638 [0,1,0,1,0,0|1,0,0]=3 7477 B9R1.22 C[C@@H]1C[C@H](CN1C=O)O 60eb22575469d8871df9978a112b8c6d [0,1,0,1,0,0|1,0,0]=3 7478 B9R1.22 C[C@H]1C[C@@H](CN1C=O)F 2ba438468c12c52a02932e80a283af8a [0,1,0,1,0,0|1,0,0]=3 7479 B9R1.22 C[C@H]1C[C@@H](CN1C=O)O 8702060aeac9a43f04a897de18943e9e [0,1,0,1,0,0|1,0,0]=3 7480 B9R1.22 C[C@H]1C[C@H](CN1C=O)F f3e6d019b0de48154eabfbc692436849 [0,1,0,1,0,0|1,0,0]=3 7481 B9R1.22 C[C@H]1C[C@H](CN1C=O)O 3eb89d72ebff7a41331c4a59767af0a4 [0,1,0,1,0,0|1,0,0]=3 7482 B9R1.27 CC1CCC(N1C=O)C 974bae1405fe69bfea26b733c8b4d59d [0,1,0,1,0,0|1,0,0]=3 7483 B9R1.27 C[C@@H]1CC[C@@H](N1C=O)C 28badcd7126a0fb280e7c12d2c3e5b86 [0,1,0,1,0,0|1,0,0]=3 7484 B9R1.27 C[C@@H]1CC[C@H](N1C=O)C 14117eb6b1ac6a4c8652c1fab96220d1 [0,1,0,1,0,0|1,0,0]=3 7485 B9R1.27 C[C@H]1CC[C@@H](N1C=O)C 0bd414895024833ff1abad1390ce1780 [0,1,0,1,0,0|1,0,0]=3 7486 B9R1.33 C#CCN1CCCC1C 655f0a24847bfe5c6b426d84df6ec10a [0,1,0,1,0,0|1,0,1]=4 7487 B9R1.33 C#CCN1CCC[C@@H]1C bd46a0e0229938c62bbfb7815962794f [0,1,0,1,0,0|1,0,1]=4 7488 B9R1.33 C#CCN1CCC[C@H]1C f73961c44a2ee46a8c5e33d9ef637f71 [0,1,0,1,0,0|1,0,1]=4 7489 B9R1.33 C=CCN1CCCC1C 23b9d7c6e1c51172c4b7f3c143a21823 [0,1,0,1,0,0|1,0,0]=3 7490 B9R1.33 C=CCN1CCCC1O 66da8a7311a51194eaf5813c81bf1c63 [0,1,0,1,0,0|2,0,0]=4 7491 B9R1.33 C=CCN1CCC[C@@H]1C 4e286cb09daddaed56ef6d50629bb6c7 [0,1,0,1,0,0|1,0,0]=3 7492 B9R1.33 C=CCN1CCC[C@H]1C d7485f6c33d5bda25c408090ba454490 [0,1,0,1,0,0|1,0,0]=3 7493 B9R1.33 C=CCN1CCSC1C ab5b956375ed6e66b4620a451e3a8a83 [0,1,0,1,0,0|2,0,0]=4 7494 B9R1.33 CC1CCCC1OCF 32f68f74d298f1c114dbc7dd09935821 [0,1,0,1,0,0|1,0,1]=4 7495 B9R1.33 CC1CCCN1CC#N bb3cbe955dda8a3ef356c36ce3fb229b [0,1,0,1,0,0|1,0,1]=4 7496 B9R1.33 CC1CCCN1CC=O 27928a5411863f8bf406ba8c60b72aa7 [0,1,0,1,0,0|0,0,0]=2 7497 B9R1.33 CC1CCCN1CCF 12b7237d6e74f93a90a7f00fa20599b9 [0,1,0,1,0,0|1,0,1]=4 7498 B9R1.33 CC1CCCN1CCO 281a8d841757602b2230f2ac436bc7ad [0,1,0,1,0,0|0,0,2]=4 7499 B9R1.33 CC1CCCN1CCS 55ded26cf38de8946ab4d87fc8bafa09 [0,1,0,1,0,0|0,1,1]=4 7500 B9R1.33 CC1SCCN1CC=O e074df1e5165ebc9fde046428f7d1e09 [0,1,0,1,0,0|1,0,0]=3 7501 B9R1.33 CCCN1CCCC1C 195e50180963f808391ad382056319a1 [0,1,0,1,0,0|1,0,1]=4 7502 B9R1.33 CCCN1CCCC1O 896bbb6e21363ca7dd9cc7555c30bb4b [0,1,0,1,0,0|0,0,2]=4 7503 B9R1.33 CCCN1CCC[C@@H]1C b67a37eaaf46cb0a5ebdfee423e623bf [0,1,0,1,0,0|1,0,1]=4 7504 B9R1.33 CCCN1CCC[C@H]1C 560044d8f08030c58863ec3801769700 [0,1,0,1,0,0|1,0,1]=4 7505 B9R1.33 CCNC1CCCC1O 4082360f4f038038f347b5d184fd111c [0,1,0,1,0,0|0,0,2]=4 7506 B9R1.33 CCNC1CCNC1=O 7ca8029da61d3d4038e53b166243ebeb [0,1,0,1,0,0|1,0,0]=3 7507 B9R1.33 CCNC1CCSC1=O b170125bf493751e42532dd86c219256 [0,1,0,1,0,0|1,0,0]=3 7508 B9R1.33 CCNC1CONC1=O d8916a3b97038fb92765b79c0c2fa307 [0,1,0,1,0,0|2,0,0]=4 7509 B9R1.33 CCN[C@@H]1CCC[C@@H]1O 7fc0c82c19f54fdb7ff37f6b41c3ad62 [0,1,0,1,0,0|0,0,2]=4 7510 B9R1.33 CCN[C@@H]1CCC[C@H]1O 7200f16a31f279f976985efc0dd1963a [0,1,0,1,0,0|0,0,2]=4 7511 B9R1.33 CCN[C@@H]1CCNC1=O b778b480924bfa692e02248b56fb56cd [0,1,0,1,0,0|1,0,0]=3 7512 B9R1.33 CCN[C@@H]1CCOC1=O 74b3897799f45738d0bb44924384c10e [0,1,0,1,0,0|1,0,0]=3 7513 B9R1.33 CCN[C@@H]1CONC1=O e20045b5ef59313798e9b6a92cce0e1a [0,1,0,1,0,0|2,0,0]=4 7514 B9R1.33 CCN[C@H]1CCC[C@@H]1O 7e9e41c880fd9b1705872b4570e9e9a4 [0,1,0,1,0,0|0,0,2]=4 7515 B9R1.33 CCN[C@H]1CCC[C@H]1O b25a1a46741ef202e0fa8a6fbd0108ff [0,1,0,1,0,0|0,0,2]=4 7516 B9R1.33 CCN[C@H]1CCNC1=O 659170641ab39dc9cbd8871033438dcc [0,1,0,1,0,0|1,0,0]=3 7517 B9R1.33 CCN[C@H]1CCOC1=O 5ec21f69d9ce47df74aa6d4e2b7c83d0 [0,1,0,1,0,0|1,0,0]=3 7518 B9R1.33 CCN[C@H]1CONC1=O 12c871b200af3033c6d6052f529438ff [0,1,0,1,0,0|2,0,0]=4 7519 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,1,0,1,0,0|0,0,2]=4 7520 B9R1.33 CCOC1CCC=C1Br 2ca22966d75696c196cb5ae7056941e2 [0,1,0,1,0,0|1,0,1]=4 7521 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,1,0,1,0,0|0,0,0]=2 7522 B9R1.33 CCOC1CCCC1C e450d37d5269371ee21c4d9099cf78f8 [0,1,0,1,0,0|1,0,1]=4 7523 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,1,0,1,0,0|1,0,0]=3 7524 B9R1.33 CCO[C@@H]1CCC[C@@H]1C 48c6c8a377684215533cce2f3b7a040e [0,1,0,1,0,0|1,0,1]=4 7525 B9R1.33 CCO[C@@H]1CCC[C@H]1C 8546dfd57bc5bf5d07eccd29f6ea3a23 [0,1,0,1,0,0|1,0,1]=4 7526 B9R1.33 CCO[C@@H]1CCC[C@H]1F 72550d5d818c2295f7ce45f538a74c92 [0,1,0,1,0,0|1,0,1]=4 7527 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,1,0,1,0,0|1,0,0]=3 7528 B9R1.33 CCO[C@H]1CCC[C@@H]1C 572fc68e8a7c8a7220d19d5da78e401e [0,1,0,1,0,0|1,0,1]=4 7529 B9R1.33 CCO[C@H]1CCC[C@H]1C 292472170f80aa7cd37f5df4f5f5c571 [0,1,0,1,0,0|1,0,1]=4 7530 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,1,0,1,0,0|1,0,0]=3 7531 B9R1.33 COCN1CCCC1C 2e2fa9caa80c65622db57e92a91185ed [0,1,0,1,0,0|2,0,0]=4 7532 B9R1.33 COCN1CCC[C@@H]1C 67a823fd66504e3cca4e93ae80ae1760 [0,1,0,1,0,0|2,0,0]=4 7533 B9R1.33 COCN1CCC[C@H]1C b841d9c1194ced1813dd800d8e308d6a [0,1,0,1,0,0|2,0,0]=4 7534 B9R1.33 CSCN1CCCC1C 9773c61a0fdf8f7356d24b34ba0aeb2f [0,1,0,1,0,0|2,0,0]=4 7535 B9R1.33 CSCN1CCC[C@@H]1C 28cecc7f12df04770f70483f402bcb1f [0,1,0,1,0,0|2,0,0]=4 7536 B9R1.33 CSCN1CCC[C@H]1C 603856325cce78a66ae27a8db55af2c1 [0,1,0,1,0,0|2,0,0]=4 7537 B9R1.33 C[C@@H]1CCCN1CC#N f1bc1c6d9ba0d662c0e5e54ef81839b6 [0,1,0,1,0,0|1,0,1]=4 7538 B9R1.33 C[C@@H]1CCCN1CC=O 628393964742a01eee790b1703c7f48c [0,1,0,1,0,0|0,0,0]=2 7539 B9R1.33 C[C@@H]1CCCN1CCF ba343820014f9fee9c4f8a1673d15691 [0,1,0,1,0,0|1,0,1]=4 7540 B9R1.33 C[C@@H]1CCCN1CCO 09597fc03649e0133d260389224063ff [0,1,0,1,0,0|0,0,2]=4 7541 B9R1.33 C[C@@H]1CCCN1CCS 5f95e783328a7d9dfc390e65d01eaf3a [0,1,0,1,0,0|0,1,1]=4 7542 B9R1.33 C[C@@H]1CCC[C@@H]1OCF 22b3e84f2ed8c44061bfce0789720234 [0,1,0,1,0,0|1,0,1]=4 7543 B9R1.33 C[C@@H]1CCC[C@H]1OCF 055ee3d509f14e26b1cd85bd2abbeffb [0,1,0,1,0,0|1,0,1]=4 7544 B9R1.33 C[C@H]1CCCN1CC#N 2fc53d7a14da0f5f66e9322f5b8fded5 [0,1,0,1,0,0|1,0,1]=4 7545 B9R1.33 C[C@H]1CCCN1CC=O 7489760bd07ab3dac73fc24ef598634e [0,1,0,1,0,0|0,0,0]=2 7546 B9R1.33 C[C@H]1CCCN1CCF d6e2f6e32e09d6c9d06146a526765e88 [0,1,0,1,0,0|1,0,1]=4 7547 B9R1.33 C[C@H]1CCCN1CCO d9a463a7c3fe8fd3082bc4ccbe366d3c [0,1,0,1,0,0|0,0,2]=4 7548 B9R1.33 C[C@H]1CCCN1CCS a6d3a1e77e4d3a5efdec971b928d388b [0,1,0,1,0,0|0,1,1]=4 7549 B9R1.33 C[C@H]1CCC[C@@H]1OCF 23b83a359e8c77c1ff60bdac1439e1a3 [0,1,0,1,0,0|1,0,1]=4 7550 B9R1.33 C[C@H]1CCC[C@H]1OCF 59a7f5726623d931b860afe2ddbbde2f [0,1,0,1,0,0|1,0,1]=4 7551 B9R1.33 N#CNC1CCCC1=O 4766ca674fd24fd209e30ce8fb66d461 [0,1,0,1,0,0|1,0,1]=4 7552 B9R1.33 O=C1CCCC1OCF b783fc93d29df7b700fa1dae2c7b2018 [0,1,0,1,0,0|1,0,0]=3 7553 B9R1.33 O=C1NCCC1NCF e934d4b546df5e1c21b2abb87c40be93 [0,1,0,1,0,0|2,0,0]=4 7554 B9R1.33 O=C1NCCC1NCO f89457b8b6195d5e1e378aab9b707899 [0,1,0,1,0,0|2,0,0]=4 7555 B9R1.33 O=C1NCCC1OCF 73ec71a289921f584b3988da331f4766 [0,1,0,1,0,0|2,0,0]=4 7556 B9R1.33 O=C1NCC[C@@H]1NCF aa36b634ddd34b967ad5a52483739117 [0,1,0,1,0,0|2,0,0]=4 7557 B9R1.33 O=C1NCC[C@@H]1NCO 8e6a4f04c55a75e390a6856d15c97bad [0,1,0,1,0,0|2,0,0]=4 7558 B9R1.33 O=C1NCC[C@@H]1OCF 567831d654d4c3b0f3ecd3178744a17b [0,1,0,1,0,0|2,0,0]=4 7559 B9R1.33 O=C1NCC[C@H]1NCF d2e1dbc662f1cc4ae8e5908e2cede490 [0,1,0,1,0,0|2,0,0]=4 7560 B9R1.33 O=C1NCC[C@H]1NCO d03ec1da6f87c1b1f9b15a44bc1d78ad [0,1,0,1,0,0|2,0,0]=4 7561 B9R1.33 O=C1NCC[C@H]1OCF 3225acd7e5de778f9cd3a600f37ca60a [0,1,0,1,0,0|2,0,0]=4 7562 B9R1.33 O=C1OCCC1OCF b85388f82f2377d14f86f51a66ceceb4 [0,1,0,1,0,0|2,0,0]=4 7563 B9R1.33 O=C1OCC[C@@H]1NCF e1dd4e315ccdd3ee423490069e903050 [0,1,0,1,0,0|2,0,0]=4 7564 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,1,0,1,0,0|2,0,0]=4 7565 B9R1.33 O=C1OCC[C@@H]1OCF 04d97e9b330871c6652fe82ab6503f03 [0,1,0,1,0,0|2,0,0]=4 7566 B9R1.33 O=C1OCC[C@H]1NCF f31145c15fd3ca3d3a6551d0366095af [0,1,0,1,0,0|2,0,0]=4 7567 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,1,0,1,0,0|2,0,0]=4 7568 B9R1.33 O=C1OCC[C@H]1OCF 120575dbb395d8d5ab73f91874f52789 [0,1,0,1,0,0|2,0,0]=4 7569 B9R1.33 O=C1SCCC1NCF ba2963085da0901be8e733658eebcd1e [0,1,0,1,0,0|2,0,0]=4 7570 B9R1.33 O=C1SCCC1NCO 971434990856107bfee853a9f2299987 [0,1,0,1,0,0|2,0,0]=4 7571 B9R1.33 O=CCN1CCCC1O 01cd7a46a4aeeeea309967ac9e52751a [0,1,0,1,0,0|1,0,0]=3 7572 B9R1.33 O=CNC1COCC1O 8a660c587cad8c269ab00fb0df7cd154 [0,1,0,1,0,0|2,0,0]=4 7573 B9R1.33 O=CN[C@@H]1COC[C@@H]1O f898993a9f81f150abef41790ac487ca [0,1,0,1,0,0|2,0,0]=4 7574 B9R1.33 O=CN[C@@H]1COC[C@H]1O 187db9f1fc45bae154da94c5f849a158 [0,1,0,1,0,0|2,0,0]=4 7575 B9R1.33 O=CN[C@H]1COC[C@@H]1O 0425afcebb9b96f41287e87d190f87e0 [0,1,0,1,0,0|2,0,0]=4 7576 B9R1.33 O=CN[C@H]1COC[C@H]1F 2dc9a367173d6cca836677b4188f937d [0,1,0,1,0,0|2,0,0]=4 7577 B9R1.33 O=CN[C@H]1COC[C@H]1O 3325eb2ca0b5aa721b924b5069f801c5 [0,1,0,1,0,0|2,0,0]=4 7578 B9R1.58 C=CCN1CC(C1)CC b3fab75d74709d2facf4ced291e26c96 [0,1,0,1,0,0|2,0,0]=4 7579 B9R1.58 CCC1CN(C1)CC=O 5991f5887d4d26815f752c25d2b83d8c [0,1,0,1,0,0|1,0,0]=3 7580 B9R1.58 CCCC1CN(C1)C=O 867bf4f5c760470bb9b1b8cee8c6b82b [0,1,0,1,0,0|1,0,0]=3 7581 B9R1.58 CCN1CC(C1)NC=O 654e5c797cd9e09b0a36d5eb4d57d46a [0,1,0,1,0,0|2,0,0]=4 7582 B9R1.58 CCOC1CN(C1)C=O d88c2cdd23b6016f10dbf806e557b699 [0,1,0,1,0,0|2,0,0]=4 7583 B9R1.58 COC1CC(C1)NC=O f38d38d31f56fdbc9fd4859d8075e88d [0,1,0,1,0,0|2,0,0]=4 7584 B9R1.58 COC1CN(C1)CC=O ad7c595e9d6a54c276d161672abaebe9 [0,1,0,1,0,0|2,0,0]=4 7585 B9R1.58 COCC1CN(C1)C=O 720f6f1d47cf5e34357aefe682bbb0ca [0,1,0,1,0,0|2,0,0]=4 7586 B9R1.58 CO[C@H]1C[C@@H](C1)NC=O b551bf8e0261066dcebf0954b2daeb3c [0,1,0,1,0,0|2,0,0]=4 7587 B9R1.58 CO[C@H]1C[C@H](C1)NC=O b6bfdf60e8203ef19524c38c27dd9e96 [0,1,0,1,0,0|2,0,0]=4 7588 B9R1.58 CSC1CN(C1)CC=O ec0fba02641f00774c657a847cea1f40 [0,1,0,1,0,0|2,0,0]=4 7589 B9R1.58 O=CCN1CC(C1)CF 4f1019fe9e4a4e0244ba79031b406db5 [0,1,0,1,0,0|2,0,0]=4 7590 B9R1.58 O=CCN1CC(C1)CO 55484de05661bc4c85479a8cb2a55e39 [0,1,0,1,0,0|2,0,0]=4 7591 B9R1.58 O=CNC1CC(C1)CO aa81e0701cc11451582d61bafa31ec68 [0,1,0,1,0,0|2,0,0]=4 7592 B9R1.58 O=CN[C@H]1C[C@@H](C1)CO 9e33625bc19eeaeea4fbd6df057d3a00 [0,1,0,1,0,0|2,0,0]=4 7593 B9R1.58 O=CN[C@H]1C[C@H](C1)CO a549ffc441fb198eec77bdb6f5d9ad9a [0,1,0,1,0,0|2,0,0]=4 7594 B9R1.73 C=CCN(C)C1CCC1 15e728ab55404d255ea9a47459960538 [0,1,0,1,0,0|2,0,0]=4 7595 B9R1.73 CC(NC=O)C1COC1 9cad3b84e897cad45e98b83b30bbbaf6 [0,1,0,1,0,0|2,0,0]=4 7596 B9R1.73 CN(CC=O)C1CCC1 4070207922d913418d9261706762628a [0,1,0,1,0,0|1,0,0]=3 7597 B9R1.73 CN(CC=O)C1COC1 ae7788bb41c0ededd6a03a2f389f5205 [0,1,0,1,0,0|2,0,0]=4 7598 B9R1.73 C[C@@H](NC=O)C1COC1 f81ff31966704238e566ce6c33cda041 [0,1,0,1,0,0|2,0,0]=4 7599 B9R1.73 C[C@H](NC=O)C1COC1 59e975a1c44dcf7eb53f369bd553578d [0,1,0,1,0,0|2,0,0]=4 7600 B9R1.73 O=CCC(=O)N1CCC1 979726091387f8590136e33dd81a7401 [0,1,0,1,0,0|1,0,1]=4 7601 B9R1.75 C=CCC(C)OC1CC1 02ac6786d90269b743a9a6011f4b9cec [0,1,0,1,0,0|2,0,0]=4 7602 B9R1.75 C=CCN(C)CC1CC1 2b23424695056452fc14473fb440305f [0,1,0,1,0,0|2,0,0]=4 7603 B9R1.75 C=CC[C@@H](C)OC1CC1 bf4e5360b0bd47bf23a87265df2f7a21 [0,1,0,1,0,0|2,0,0]=4 7604 B9R1.75 C=CC[C@H](C)OC1CC1 3f2851d7a1b6402727c5f11c24921165 [0,1,0,1,0,0|2,0,0]=4 7605 B9R1.75 CN(CC=O)CC1CC1 660f525c3d97ae7acbd01c8e55aff13f [0,1,0,1,0,0|1,0,0]=3 7606 B9R1.75 O=CCC(=O)NC1CC1 f16fcaf582a5b692c672380bfd9cad35 [0,1,0,1,0,0|1,0,1]=4 7607 B9R1.100 C=CCCN(C)C1CC1 b8da66835c7e93ebd2a944579972e8d4 [0,1,0,1,0,0|2,0,0]=4 7608 B9R1.100 C=CCN[C@@H](C)C1CC1 6d91e5ef2b698bd894302f15b2d862ed [0,1,0,1,0,0|2,0,0]=4 7609 B9R1.100 C=CCN[C@H](C)C1CC1 7d4f9d834e83a838c087b027f0cfc12f [0,1,0,1,0,0|2,0,0]=4 7610 B9R1.100 C=CCOC(C)C1CC1 9a6cbd97c9e1f2a4b8d64ae7ab72f097 [0,1,0,1,0,0|2,0,0]=4 7611 B9R1.100 C=CCO[C@@H](C)C1CC1 1c46d104cc479486299238cfd4a93bb4 [0,1,0,1,0,0|2,0,0]=4 7612 B9R1.100 C=CCO[C@H](C)C1CC1 2b5f0167fe2fc0c993405a35fcf166be [0,1,0,1,0,0|2,0,0]=4 7613 B9R1.100 CC(OCC=O)C1CC1 a995a7bf5ed6a04c16db86dd7be93416 [0,1,0,1,0,0|1,0,0]=3 7614 B9R1.100 CN(CCC=O)C1CC1 49ac0894effc493a96f8e27897e31297 [0,1,0,1,0,0|1,0,0]=3 7615 B9R1.100 C[C@@H](NCC=O)C1CC1 108f278c5ecb73f94ce9e62df7a4e5f5 [0,1,0,1,0,0|1,0,0]=3 7616 B9R1.100 C[C@@H](OCC=O)C1CC1 a5c13a00b54bfe529f6d1090f68fe2c2 [0,1,0,1,0,0|1,0,0]=3 7617 B9R1.100 C[C@H](NCC=O)C1CC1 18490924644ec93a6f3b4095524417c8 [0,1,0,1,0,0|1,0,0]=3 7618 B9R1.100 C[C@H](OCC=O)C1CC1 d2d08f0ad2315b3b7df27213b150e5e4 [0,1,0,1,0,0|1,0,0]=3 7619 B9R1.100 O=CNCC(O)C1CC1 b0a47dc568966ad977731781662ce0eb [0,1,0,1,0,0|1,0,0]=3 7620 B9R1.117 C=CCNC1(CCC1)C 8776625d3b9ef3dee8cebc99a8fe719f [0,1,0,1,0,0|2,0,0]=4 7621 B9R1.117 CC1(CCC1)NCC=O b383add41a09744964f7f06d8529c79a [0,1,0,1,0,0|1,0,0]=3 7622 B9R1.117 CC1(CCO1)CNC=O 7e286bc0c01d6242378ace941a2c18f3 [0,1,0,1,0,0|2,0,0]=4 7623 B9R1.117 CC1(COC1)CNC=O 6b834fa5ae27fa5ad7f6f378ab795335 [0,1,0,1,0,0|2,0,0]=4 7624 B9R1.117 CC1(COC1)NCC=O 4bcb5213f0e1fb3c98e7691db5cc768a [0,1,0,1,0,0|2,0,0]=4 7625 B9R1.117 CC1(CSC1)NCC=O e057da307a6aacede1ab71ce9f4b4258 [0,1,0,1,0,0|2,0,0]=4 7626 B9R1.117 C[C@]1(CCO1)CNC=O fbb8edb8b061437d70189fa6f2794c77 [0,1,0,1,0,0|2,0,0]=4 7627 B9R1.117 O=CNCC1(CCC1)O 7483a434b36108668e9f81daa371a643 [0,1,0,1,0,0|1,0,0]=3 7628 B9R1.117 O=CNCC1(COC1)F 5b7399fbf695c2d51db29f3e2972925c [0,1,0,1,0,0|2,0,0]=4 7629 B9R1.117 O=CNCC1(COC1)O dea0e18ed9ceac6ff1b3c50ad00f5a1b [0,1,0,1,0,0|2,0,0]=4 7630 B9R1.134 CC1(CCCC1)NC=O 9f346bb798ddf4840d6f5ddf15261dc2 [0,1,0,1,0,0|1,0,0]=3 7631 B9R1.134 CC1(CCOC1)NC=O ad65daccf261b60746a7096eb8cd15d3 [0,1,0,1,0,0|2,0,0]=4 7632 B9R1.154 C=CCN1C(CC1C)C d4425a82251dd3b389dff4a6f96a40b1 [0,1,0,1,0,0|2,0,0]=4 7633 B9R1.154 C=CCN1[C@@H](C[C@@H]1C)C d11978b23352048af88df9c66dd4212b [0,1,0,1,0,0|2,0,0]=4 7634 B9R1.154 C=CCN1[C@@H](C[C@H]1C)C 71b18c894724021dc638e5c4a9790929 [0,1,0,1,0,0|2,0,0]=4 7635 B9R1.154 C=CCN1[C@H](C[C@@H]1C)C ed5c1c84a89627cf7cf28555fd8993e8 [0,1,0,1,0,0|2,0,0]=4 7636 B9R1.154 CC1CC(N1CC=O)C bc0b61e4e04469466db3f2a4f3a67476 [0,1,0,1,0,0|1,0,0]=3 7637 B9R1.154 C[C@@H]1C[C@@H](N1CC=O)C 7963211f41e6324b07aa406dbc970863 [0,1,0,1,0,0|1,0,0]=3 7638 B9R1.154 C[C@@H]1C[C@H](N1CC=O)C e04778fa0ec895d8bcc4e5cee44098ee [0,1,0,1,0,0|1,0,0]=3 7639 B9R1.154 C[C@H]1C[C@@H](N1CC=O)C 5823fac4702a09f91bdb31e9d0965edb [0,1,0,1,0,0|1,0,0]=3 7640 B9R1.4 C#CCN1CCC1CC b9d3cd0fe97e9d79ac2d3793c08548ec [0,1,0,1,0,0|1,0,1]=4 7641 B9R1.4 C=CCN1CCC1CC 80dfc38a710a73642943fc9e6dca1e58 [0,1,0,1,0,0|1,0,0]=3 7642 B9R1.4 C=CCN1CCC1CO 36c7f5d9b97a27b83589e7c8fb4c66f2 [0,1,0,1,0,0|2,0,0]=4 7643 B9R1.4 C=CCN1CC[C@@H]1CO 0224d8d811d38ebd98b16fac394235b9 [0,1,0,1,0,0|2,0,0]=4 7644 B9R1.4 C=CCN1CC[C@H]1CO e8ceceb5a8d84f9c7fe1abe7686377a6 [0,1,0,1,0,0|2,0,0]=4 7645 B9R1.4 CCC1CCN1CC#N 1e15919ebf226a29b5c34fd792dd3205 [0,1,0,1,0,0|1,0,1]=4 7646 B9R1.4 CCC1CCN1CC=O aee48a138645dd7a756ef2b78311f413 [0,1,0,1,0,0|0,0,0]=2 7647 B9R1.4 CCC1CCN1CCF e83832e76db1764f085fa01a2d26e7f4 [0,1,0,1,0,0|1,0,1]=4 7648 B9R1.4 CCC1CCN1CCO 42e0c0d6b21111978f6a52e5b99908e1 [0,1,0,1,0,0|0,0,2]=4 7649 B9R1.4 CCC1CCN1CCS 02f96558439bcb2cab2f5e51ee0e1ee0 [0,1,0,1,0,0|0,1,1]=4 7650 B9R1.4 CCC1CCN1COC a0151a3c3e58bd85c763dd3a1a9a1267 [0,1,0,1,0,0|2,0,0]=4 7651 B9R1.4 CCC1CCN1CSC edf2d038c36316dce345a9fff0fd60c7 [0,1,0,1,0,0|2,0,0]=4 7652 B9R1.4 CCCN1CCC1CC ffd208b29fec7bd4973f3c2e2df945a8 [0,1,0,1,0,0|1,0,1]=4 7653 B9R1.4 CCCN1CCC1CO 33129f2326759bd9720a53e2ca2c6bf6 [0,1,0,1,0,0|0,0,2]=4 7654 B9R1.4 CCCN1CC[C@@H]1CO e1b1e89d7dc4e0489358392e42c76f69 [0,1,0,1,0,0|0,0,2]=4 7655 B9R1.4 CCCN1CC[C@H]1CO d7949bf66e85eea0dd23f24feebae878 [0,1,0,1,0,0|0,0,2]=4 7656 B9R1.4 CCN1CCC1CCO 8ae3244fa8f43e0a305689cf5a724afa [0,1,0,1,0,0|0,0,2]=4 7657 B9R1.4 CCN1CCC1COC e67d05205d1bdb3e9257bbabd5608dd9 [0,1,0,1,0,0|2,0,0]=4 7658 B9R1.4 CCN1CC[C@@H]1COC 6f30b4052ce34d38b3a5648c96c1f144 [0,1,0,1,0,0|2,0,0]=4 7659 B9R1.4 CCN1CC[C@H]1COC ccab33799af8fdd6316402dcaac2513e [0,1,0,1,0,0|2,0,0]=4 7660 B9R1.4 CCNC1CCC1OC 0f664223af5b60ab9cdbf5ed461a859a [0,1,0,1,0,0|2,0,0]=4 7661 B9R1.4 CCN[C@@H]1CC[C@@H]1OC 99902442d880cad5b69ba19b750ed789 [0,1,0,1,0,0|2,0,0]=4 7662 B9R1.4 CCN[C@@H]1CC[C@H]1OC 32e0f6cd631da980c7182d0387843a2c [0,1,0,1,0,0|2,0,0]=4 7663 B9R1.4 CCN[C@H]1CC[C@@H]1OC b22b19141bf08ebb5c748150dd50aa85 [0,1,0,1,0,0|2,0,0]=4 7664 B9R1.4 CCN[C@H]1CC[C@H]1OC dfe876a2e1fdb14f3260fce8b603d7f5 [0,1,0,1,0,0|2,0,0]=4 7665 B9R1.4 COC1CCC1NC=O 0516ce26a02ed622900cc504f80eba14 [0,1,0,1,0,0|1,0,0]=3 7666 B9R1.4 COCC1CCN1C=O c8b8b5b0fdbcc9317c0fd4bfbe42e156 [0,1,0,1,0,0|1,0,0]=3 7667 B9R1.4 COC[C@@H]1CCN1C=O 4300e27a8cfd5eda3ca1f78e5c5877b6 [0,1,0,1,0,0|1,0,0]=3 7668 B9R1.4 COC[C@H]1CCN1C=O dc6d58be0dbd75769c416bde7f6785a9 [0,1,0,1,0,0|1,0,0]=3 7669 B9R1.4 CO[C@@H]1CC[C@@H]1NC=O 13b3ff47b5c1143e5efc5fc4a12ae663 [0,1,0,1,0,0|1,0,0]=3 7670 B9R1.4 CO[C@@H]1CC[C@H]1NC=O 5ace3a07ef2f61f85978acb689b55bb8 [0,1,0,1,0,0|1,0,0]=3 7671 B9R1.4 CO[C@H]1CC[C@@H]1NC=O 55fdc1b99ccc1745203679378dc7e779 [0,1,0,1,0,0|1,0,0]=3 7672 B9R1.4 CO[C@H]1CC[C@H]1NC=O 529d28774ce1207e0706afe7464d213a [0,1,0,1,0,0|1,0,0]=3 7673 B9R1.4 O=CCN1CCC1CO 95a9c6cf997b1ee1bea439b0af827cb9 [0,1,0,1,0,0|1,0,0]=3 7674 B9R1.4 O=CCN1CC[C@@H]1CO d986023f80a4fb46daf987d35489bd1d [0,1,0,1,0,0|1,0,0]=3 7675 B9R1.4 O=CCN1CC[C@H]1CO f110fa973937fd6be620801acb63a0fb [0,1,0,1,0,0|1,0,0]=3 7676 B9R1.4 O=CN1CCC1CCO c85a94914843f4f69a819dff95e34c1e [0,1,0,1,0,0|1,0,0]=3 7677 B9R1.14 C#CC1CCCN1C=O f31df566f2fff3076a09c2d2698ec2ca [0,1,0,1,0,0|0,0,2]=4 7678 B9R1.14 C#CC1CCCN1CC c8df2d1e32e1db9447de8b5ef2ed42d8 [0,1,0,1,0,0|1,0,1]=4 7679 B9R1.14 CCC1CCCN1C=O 9bfd3104fb9bd3ec80e56f7f40a87d09 [0,1,0,1,0,0|0,0,0]=2 7680 B9R1.14 CCC1CCCN1CC c1e0af4df28c9d45887eabd6c6ae8592 [0,1,0,1,0,0|1,0,1]=4 7681 B9R1.14 CCC1CCCN1CF 385e79d6466f62510ea4063bcf54b747 [0,1,0,1,0,0|1,0,1]=4 7682 B9R1.14 CCC1CCCN1CO c6b0552297ecd81b340673988242e49e [0,1,0,1,0,0|0,0,2]=4 7683 B9R1.14 CCN1CCCC1C#N 12f280a295e57bd2a871fe051173a3d8 [0,1,0,1,0,0|1,0,1]=4 7684 B9R1.14 CCN1CCCC1CO 4cc70a524b6a49ae6ff776db26f663d6 [0,1,0,1,0,0|0,0,2]=4 7685 B9R1.14 CCN1CCCC1OC 9b7034b2ef4a9a1e58e21607d3078475 [0,1,0,1,0,0|2,0,0]=4 7686 B9R1.14 CCN1CCC[C@@H]1CF db8891b9fa42c2d7590f7d287c4f54ce [0,1,0,1,0,0|1,0,1]=4 7687 B9R1.14 CCN1CCC[C@@H]1CO 06f5f2fca38eb9626faec3727a8f59e6 [0,1,0,1,0,0|0,0,2]=4 7688 B9R1.14 CCN1CCC[C@H]1C#N 4da00469e3486b0f26400f179e811158 [0,1,0,1,0,0|1,0,1]=4 7689 B9R1.14 CCN1CCC[C@H]1CF cc2d3ec5216c037143c59acbd05341db [0,1,0,1,0,0|1,0,1]=4 7690 B9R1.14 CCN1CCC[C@H]1CO e5330ba4d388a8e39b15a149c876b607 [0,1,0,1,0,0|0,0,2]=4 7691 B9R1.14 CC[C@@H]1CCCN1C=O da9d0e05329f820d63cc29621bd7430d [0,1,0,1,0,0|0,0,0]=2 7692 B9R1.14 CC[C@@H]1CCCN1CC 2ed4b1b5dcff54988a458daa323d3107 [0,1,0,1,0,0|1,0,1]=4 7693 B9R1.14 CC[C@@H]1CCCN1CF 4ad55d995c181345ed4cce2b35ed252b [0,1,0,1,0,0|1,0,1]=4 7694 B9R1.14 CC[C@@H]1CCCN1CO 79102ed9add4e6c642219a59503e87a6 [0,1,0,1,0,0|0,0,2]=4 7695 B9R1.14 COC1CCCN1C=O 8aa7b22777bc471212d982f27b92f5fd [0,1,0,1,0,0|1,0,0]=3 7696 B9R1.14 N#CC1CCCN1C=O ecefea5f63791393b894a783049694fa [0,1,0,1,0,0|1,0,1]=4 7697 B9R1.14 N#C[C@@H]1CCCN1C=O 0177eebde3bbdf05204a6ff1b9ba2cc3 [0,1,0,1,0,0|1,0,1]=4 7698 B9R1.14 O=CN1CCCC1CO 75b12ffa9bd2f35acc3b984d4ad2e6f7 [0,1,0,1,0,0|1,0,0]=3 7699 B9R1.14 O=CN1CCC[C@@H]1CF 45884ece6cccc8922acf889d282db837 [0,1,0,1,0,0|1,0,0]=3 7700 B9R1.14 O=CN1CCC[C@@H]1CO b2e4d0ee0a911eac6a5bfd92181e1f8a [0,1,0,1,0,0|1,0,0]=3 7701 B9R1.14 O=CN1CCC[C@H]1CF efa94b1e9832aaf370863a6f8233628a [0,1,0,1,0,0|1,0,0]=3 7702 B9R1.14 O=CN1CCC[C@H]1CO 6edb00daf504246f581ca4815eae2e10 [0,1,0,1,0,0|1,0,0]=3 7703 B9R1.16 C#CCCNC1CC1C 2eea2400477c66e55b4a316c3fee1e6d [0,1,0,1,0,0|1,0,1]=4 7704 B9R1.16 C#CCOCC1CC1C 16b56f930ee0928e4f2eb5620d5865eb [0,1,0,1,0,0|1,0,1]=4 7705 B9R1.16 C#CCOC[C@@H]1C[C@@H]1C fa789283ff820bb3a8a2b7eba4e44199 [0,1,0,1,0,0|1,0,1]=4 7706 B9R1.16 C#CCOC[C@@H]1C[C@H]1C f373948c6c33b257ccae9e81190f890e [0,1,0,1,0,0|1,0,1]=4 7707 B9R1.16 C#CCOC[C@H]1C[C@@H]1C 2e1f85bbcedd254cb251b00254365bda [0,1,0,1,0,0|1,0,1]=4 7708 B9R1.16 C/C=C/CNC1CC1C 5f4df3d29b12fa8466984019f1ac02fe [0,1,0,1,0,0|1,0,1]=4 7709 B9R1.16 C/C=C\CNC1CC1C 79fd38f3fba8c12e2306372fac625398 [0,1,0,1,0,0|1,0,1]=4 7710 B9R1.16 C=C1CC1COCC=O 7f6ec6e86d366d9e7d9e644038616b90 [0,1,0,1,0,0|0,0,2]=4 7711 B9R1.16 C=C1CC1COCCC dbf7f65a57254b2e5c70dceecfec1a08 [0,1,0,1,0,0|1,0,0]=3 7712 B9R1.16 C=C1CC1COCCF 6f8c8ca36aa59dbcc84a3d9792058d84 [0,1,0,1,0,0|2,0,0]=4 7713 B9R1.16 C=C1CC1COCCS 4f763949909bc0572a44a3e4eec462fe [0,1,0,1,0,0|2,0,0]=4 7714 B9R1.16 C=C1CC1COCOC c9cef91af79ba0c0593efab5c461bedf [0,1,0,1,0,0|2,0,0]=4 7715 B9R1.16 C=C1CC1COCSC faa0f3b89cb95e96134a066f6b515ca3 [0,1,0,1,0,0|2,0,0]=4 7716 B9R1.16 C=CCCNC1CC1C 747a4f501e0865aab3cf0c231ab14d8f [0,1,0,1,0,0|1,0,0]=3 7717 B9R1.16 C=CCCN[C@@H]1C[C@H]1F 89545930340352faeb441d78c86d8f50 [0,1,0,1,0,0|2,0,0]=4 7718 B9R1.16 C=CCCN[C@H]1C[C@@H]1F b693ab4602feac66b742c9dcc5216ade [0,1,0,1,0,0|2,0,0]=4 7719 B9R1.16 C=CCCN[C@H]1C[C@H]1F c0c1ccdb1b72d2434f8bad546952fd37 [0,1,0,1,0,0|2,0,0]=4 7720 B9R1.16 C=CCOCC1CC1C 647676f58a9166a3b1d49e87f83fd548 [0,1,0,1,0,0|1,0,0]=3 7721 B9R1.16 C=CCOC[C@@H]1C[C@@H]1C f69e8d4df7003fd1349e7e58d7969c45 [0,1,0,1,0,0|1,0,0]=3 7722 B9R1.16 C=CCOC[C@@H]1C[C@@H]1F 7796cc5a868fcc409d505f3f3ba7e1dd [0,1,0,1,0,0|2,0,0]=4 7723 B9R1.16 C=CCOC[C@@H]1C[C@H]1C abf188b83ca4f21c698711925d337650 [0,1,0,1,0,0|1,0,0]=3 7724 B9R1.16 C=CCOC[C@@H]1C[C@H]1F dcac6b55c2af5908b4700787c08f2d93 [0,1,0,1,0,0|2,0,0]=4 7725 B9R1.16 C=CCOC[C@H]1C[C@@H]1C eea92b22b51f725ae81f9a25c2a44125 [0,1,0,1,0,0|1,0,0]=3 7726 B9R1.16 C=CCOC[C@H]1C[C@@H]1F 6cb95cbde73e591c859a99a47ca0a15f [0,1,0,1,0,0|2,0,0]=4 7727 B9R1.16 C=CCOC[C@H]1C[C@H]1F c270562422747355ab6e2e3e79bc901a [0,1,0,1,0,0|2,0,0]=4 7728 B9R1.16 CC1CC1COCC#N c8a955f90c82cc8638cd4125a87c11a5 [0,1,0,1,0,0|1,0,1]=4 7729 B9R1.16 CC1CC1COCC=O e38c4912a5bd244cfef6cdfcd630eadf [0,1,0,1,0,0|0,0,0]=2 7730 B9R1.16 CC1CC1COCCF 266fe15c06064606cbd167048212dedb [0,1,0,1,0,0|1,0,1]=4 7731 B9R1.16 CC1CC1COCCS 2b148c50b54d5a87491df543eeaa7639 [0,1,0,1,0,0|0,1,1]=4 7732 B9R1.16 CC1CC1NC/C=C/Cl dfbd3160f5a1e2769ac785e48ac30667 [0,1,0,1,0,0|1,0,1]=4 7733 B9R1.16 CC1CC1NC/C=C\Cl 49c19e990587debbc3ca7a0df5e96b6f [0,1,0,1,0,0|1,0,1]=4 7734 B9R1.16 CC1CC1NC/C=C\O 9a9e5e2582457eba9ff0336079c77c3b [0,1,0,1,0,0|0,0,2]=4 7735 B9R1.16 CC1CC1NCCC#N 6d0273f4ff35d8bcb8b556bbb50124d8 [0,1,0,1,0,0|1,0,1]=4 7736 B9R1.16 CC1CC1NCCC=O 41a62504559929453219af6a8e069423 [0,1,0,1,0,0|0,0,0]=2 7737 B9R1.16 CC1CC1NCCCF 9ca80e210e88dea814df8fc7a0db54d3 [0,1,0,1,0,0|1,0,1]=4 7738 B9R1.16 CC1CC1NCCCO d8cc7bd276ec3b4c8d2a48d69b32c773 [0,1,0,1,0,0|0,0,2]=4 7739 B9R1.16 CC1CC1NCCCS c2202d9abd5c52aa424081dad945c990 [0,1,0,1,0,0|0,1,1]=4 7740 B9R1.16 CCCCNC1CC1C a9f119cd62245c49084df191cf276a31 [0,1,0,1,0,0|1,0,1]=4 7741 B9R1.16 CCCCN[C@@H]1C[C@H]1F 2aebb5e1c982d5c8d293c1bfda14509f [0,1,0,1,0,0|1,0,1]=4 7742 B9R1.16 CCCCN[C@H]1C[C@@H]1F bfe1bd0d6ae8ac979141712cd833b460 [0,1,0,1,0,0|1,0,1]=4 7743 B9R1.16 CCCCN[C@H]1C[C@H]1F 5a5391ab3b60bef6b1b57591c4474e52 [0,1,0,1,0,0|1,0,1]=4 7744 B9R1.16 CCCOCC1CC1C c479ea01ec45b145ea97e5b216b7a88d [0,1,0,1,0,0|1,0,1]=4 7745 B9R1.16 CCCOC[C@@H]1C[C@@H]1C bdf6ceafbda00ae5a4903064a4fcd53e [0,1,0,1,0,0|1,0,1]=4 7746 B9R1.16 CCCOC[C@@H]1C[C@@H]1F d132004181c7bdb29bc1dde7e4268e55 [0,1,0,1,0,0|1,0,1]=4 7747 B9R1.16 CCCOC[C@@H]1C[C@H]1C dadf59e50fe3f803829c2afc85967616 [0,1,0,1,0,0|1,0,1]=4 7748 B9R1.16 CCCOC[C@@H]1C[C@H]1F fec88380b851024ba4b85a3b2e88229b [0,1,0,1,0,0|1,0,1]=4 7749 B9R1.16 CCCOC[C@H]1C[C@@H]1C 546df66a4867dd12875fd17718577b41 [0,1,0,1,0,0|1,0,1]=4 7750 B9R1.16 CCCOC[C@H]1C[C@@H]1F 5379246ca5d77ffb70f6307af1871576 [0,1,0,1,0,0|1,0,1]=4 7751 B9R1.16 CCCOC[C@H]1C[C@H]1F 395e27386c12a30f281a5a4b9292430d [0,1,0,1,0,0|1,0,1]=4 7752 B9R1.16 COCCNC1CC1C 133a4efb8d416044cefc3c46c11db452 [0,1,0,1,0,0|2,0,0]=4 7753 B9R1.16 COCOCC1CC1C d6b311794b4aaa0e8f8098e0bde7b46d [0,1,0,1,0,0|2,0,0]=4 7754 B9R1.16 COCOC[C@@H]1C[C@@H]1C 488c929dc0f85aee97af05ade00d245c [0,1,0,1,0,0|2,0,0]=4 7755 B9R1.16 COCOC[C@@H]1C[C@H]1C 09f772f6ea23d80f61c114b8908d42ae [0,1,0,1,0,0|2,0,0]=4 7756 B9R1.16 COCOC[C@H]1C[C@@H]1C b39a61efc2d7463fec304ea35c8bc99e [0,1,0,1,0,0|2,0,0]=4 7757 B9R1.16 CSCCNC1CC1C dffdc83c807376401a1bc40ddab7e6a4 [0,1,0,1,0,0|2,0,0]=4 7758 B9R1.16 CSCOCC1CC1C 8ddcaa29cfd0ead351f1e2c053e5a7dc [0,1,0,1,0,0|2,0,0]=4 7759 B9R1.16 CSCOC[C@@H]1C[C@@H]1C 516a40840474d7755434351b98f6a973 [0,1,0,1,0,0|2,0,0]=4 7760 B9R1.16 CSCOC[C@@H]1C[C@H]1C 292706a4e7a746b04a3be1152507c69a [0,1,0,1,0,0|2,0,0]=4 7761 B9R1.16 CSCOC[C@H]1C[C@@H]1C a57ad53e6815c11f36b689db9b0571da [0,1,0,1,0,0|2,0,0]=4 7762 B9R1.16 C[C@@H]1C[C@H]1COCC#N 9ea60ea97131c526a96ba9ca56650991 [0,1,0,1,0,0|1,0,1]=4 7763 B9R1.16 C[C@@H]1C[C@H]1COCC=O 7ae74dfc03906b5b41f7f9d5bbdb763b [0,1,0,1,0,0|0,0,0]=2 7764 B9R1.16 C[C@@H]1C[C@H]1COCCF d1171789787b6cc0ed65640ea5a8d486 [0,1,0,1,0,0|1,0,1]=4 7765 B9R1.16 C[C@@H]1C[C@H]1COCCS 06c0fa3c70b7b66f49ec3a5a7a326b17 [0,1,0,1,0,0|0,1,1]=4 7766 B9R1.16 C[C@H]1C[C@@H]1COCC#N 235406fd3797df5a60cf492195d03bf6 [0,1,0,1,0,0|1,0,1]=4 7767 B9R1.16 C[C@H]1C[C@@H]1COCC=O b02f0ce03a967d9b5a7484bce5693d9b [0,1,0,1,0,0|0,0,0]=2 7768 B9R1.16 C[C@H]1C[C@@H]1COCCF 084977fd9e0f968ec75c4bff083775f5 [0,1,0,1,0,0|1,0,1]=4 7769 B9R1.16 C[C@H]1C[C@@H]1COCCS f3c942ded15db0f45b05c8d0188f32db [0,1,0,1,0,0|0,1,1]=4 7770 B9R1.16 C[C@H]1C[C@H]1COCC#N 4ad1bc5fba485544931a8a304d6f09d6 [0,1,0,1,0,0|1,0,1]=4 7771 B9R1.16 C[C@H]1C[C@H]1COCC=O c17ac892c3cf503bcc9858e0bcb45921 [0,1,0,1,0,0|0,0,0]=2 7772 B9R1.16 C[C@H]1C[C@H]1COCCF 16f379cefdb114ef65e1f531f2e8589d [0,1,0,1,0,0|1,0,1]=4 7773 B9R1.16 C[C@H]1C[C@H]1COCCS 059a57000ca7d247656e3ba4479bdc13 [0,1,0,1,0,0|0,1,1]=4 7774 B9R1.16 O=CCCN[C@@H]1C[C@H]1F 1f01b5d02c2fbd7145130960e1468714 [0,1,0,1,0,0|1,0,0]=3 7775 B9R1.16 O=CCCN[C@H]1C[C@@H]1F 843863b95aca607e9f10934bbf968501 [0,1,0,1,0,0|1,0,0]=3 7776 B9R1.16 O=CCCN[C@H]1C[C@H]1F 468fea7d20ce2cc141785093b5471b2d [0,1,0,1,0,0|1,0,0]=3 7777 B9R1.16 O=CCOC[C@@H]1C[C@@H]1F 2599da318090007136ea8223a4e64677 [0,1,0,1,0,0|1,0,0]=3 7778 B9R1.16 O=CCOC[C@@H]1C[C@H]1F b0dec97c30095db53fb117109e8dcb49 [0,1,0,1,0,0|1,0,0]=3 7779 B9R1.16 O=CCOC[C@H]1C[C@@H]1F e66145835b4bc6e6d4f422015aeb3dd4 [0,1,0,1,0,0|1,0,0]=3 7780 B9R1.16 O=CCOC[C@H]1C[C@H]1F 9ebf315b16b29ab352ce1122a8ed679d [0,1,0,1,0,0|1,0,0]=3 7781 B9R1.17 BrCCNCC1CCC1 c5d9b1cf80ea4b2a032edd339daeab5d [0,1,0,1,0,0|1,0,1]=4 7782 B9R1.17 C#CCCCN1CCC1 fc9b843c8f4d118cbb94deac1ccd2d75 [0,1,0,1,0,0|1,0,1]=4 7783 B9R1.17 C#CCCNC1CCC1 b4197dee1c7decff2aedb72ed7a3243f [0,1,0,1,0,0|1,0,1]=4 7784 B9R1.17 C#CCCOC1CCC1 9ba58a776ae83d3d7fc7119838c2a535 [0,1,0,1,0,0|1,0,1]=4 7785 B9R1.17 C#CCNCC1CCC1 9feb7242ac3ffbf96f23553aa0e4e95f [0,1,0,1,0,0|1,0,1]=4 7786 B9R1.17 C#CCOCC1CCC1 bc39f92c6df4792a47a7662ccc139a17 [0,1,0,1,0,0|1,0,1]=4 7787 B9R1.17 C/C=C/CNC1CCC1 69129c6773c21c1cc67095f8d6ef9991 [0,1,0,1,0,0|1,0,1]=4 7788 B9R1.17 C/C=C/COC1CCC1 6e99de4f67d290634af940908f88ebdb [0,1,0,1,0,0|1,0,1]=4 7789 B9R1.17 C/C=C\CNC1CCC1 bfc2dc6a52e10bd108caf23b444f9a12 [0,1,0,1,0,0|1,0,1]=4 7790 B9R1.17 C/C=C\COC1CCC1 6e8f80104dc0d1622838cbb39d9afcf5 [0,1,0,1,0,0|1,0,1]=4 7791 B9R1.17 C=CCCCN1CCC1 79fbb3a2d17451a36b670f0f8ba89738 [0,1,0,1,0,0|1,0,0]=3 7792 B9R1.17 C=CCCNC1CCC1 b2ca0b88deeb83a7c2d61204f59e8ff3 [0,1,0,1,0,0|1,0,0]=3 7793 B9R1.17 C=CCCNC1COC1 5eaa147df927b8676df28791f1527471 [0,1,0,1,0,0|2,0,0]=4 7794 B9R1.17 C=CCCOC1CCC1 c328b7599efb51dd1bfb7291c6261276 [0,1,0,1,0,0|1,0,0]=3 7795 B9R1.17 C=CCCOC1COC1 f3659543d188144d32f15b2a20d2358f [0,1,0,1,0,0|2,0,0]=4 7796 B9R1.17 C=CCCOC1CSC1 229b04254e688d2702c1b677dbb57d1e [0,1,0,1,0,0|2,0,0]=4 7797 B9R1.17 C=CCNCC1CCC1 5da1fe94035d41e639fcc0fbbfde87b2 [0,1,0,1,0,0|1,0,0]=3 7798 B9R1.17 C=CCNCC1CCO1 c7f349b3f29c7ac6cdb9735edec45369 [0,1,0,1,0,0|2,0,0]=4 7799 B9R1.17 C=CCNCC1COC1 ad94150420d4def4a80f434f03124981 [0,1,0,1,0,0|2,0,0]=4 7800 B9R1.17 C=CCNC[C@@H]1CCO1 7eadbd23d4745ff9fe9ae3de26909d1b [0,1,0,1,0,0|2,0,0]=4 7801 B9R1.17 C=CCNC[C@H]1CCO1 a3aa55bc5461dcb6e12d00231665d5a0 [0,1,0,1,0,0|2,0,0]=4 7802 B9R1.17 C=CCOCC1CCC1 5c7cdd4f65c4652a52a56bde68d5c494 [0,1,0,1,0,0|1,0,0]=3 7803 B9R1.17 C=CCOCC1CCO1 d2ecf56156cb151cd126d16ea5f8f5ae [0,1,0,1,0,0|2,0,0]=4 7804 B9R1.17 C=CCOCC1COC1 e3b41b1391810f808171aa3b886de59b [0,1,0,1,0,0|2,0,0]=4 7805 B9R1.17 C=CCOCC1CSC1 a904dd09d056f265db89f7dfeaebb752 [0,1,0,1,0,0|2,0,0]=4 7806 B9R1.17 C=CCOC[C@@H]1CCO1 dad0347deeb6c5259f051c02e5155db1 [0,1,0,1,0,0|2,0,0]=4 7807 B9R1.17 C=CCOC[C@H]1CCO1 1d5c5ccac07a016f5e10eaa5e70dd8eb [0,1,0,1,0,0|2,0,0]=4 7808 B9R1.17 CC=CCNC1CCC1 9c108ee5c212cead7091368db5d766a5 [0,1,0,1,0,0|1,0,1]=4 7809 B9R1.17 CC=CCOC1CCC1 e55c4a09137b63cab559305c3d0fa528 [0,1,0,1,0,0|1,0,1]=4 7810 B9R1.17 CCCCCN1CCC1 035938028a393638df89aff148721c60 [0,1,0,1,0,0|1,0,1]=4 7811 B9R1.17 CCCCNC1CCC1 5753024b42e366bf14659fd025685655 [0,1,0,1,0,0|1,0,1]=4 7812 B9R1.17 CCCCNC1COC1 be416a5e3d517550a19b07f3c7e21d96 [0,1,0,1,0,0|2,0,0]=4 7813 B9R1.17 CCCCOC1CCC1 183c0351678811d787cc2d1bcaa60b23 [0,1,0,1,0,0|1,0,1]=4 7814 B9R1.17 CCCCOC1COC1 461fd93b53e163ad4e7596590bb10356 [0,1,0,1,0,0|2,0,0]=4 7815 B9R1.17 CCCCOC1CSC1 bfd4085a205754e02760a9623d9e9ee3 [0,1,0,1,0,0|2,0,0]=4 7816 B9R1.17 CCCNCC1CCC1 c55f078a4591dc6bcef7e0f4bb7d93c0 [0,1,0,1,0,0|1,0,1]=4 7817 B9R1.17 CCCNCC1CCO1 787b259f563a64412a05f6375c510307 [0,1,0,1,0,0|0,0,2]=4 7818 B9R1.17 CCCNCC1COC1 9e70842492f5abe047d32cd9a431660c [0,1,0,1,0,0|2,0,0]=4 7819 B9R1.17 CCCNC[C@@H]1CCO1 09e702ada7d1001485e8ef84f376d413 [0,1,0,1,0,0|0,0,2]=4 7820 B9R1.17 CCCNC[C@H]1CCO1 cff33eb3b6a9e99c0c6a161e680951b7 [0,1,0,1,0,0|0,0,2]=4 7821 B9R1.17 CCCOCC1CCC1 6bc97c6b8b74b4afb6348dbcd6370478 [0,1,0,1,0,0|1,0,1]=4 7822 B9R1.17 CCCOCC1CCO1 dce9304902398e33f033a8ebfca20c53 [0,1,0,1,0,0|0,0,2]=4 7823 B9R1.17 CCCOCC1COC1 51179db10ee449120577f8bb7f6d1912 [0,1,0,1,0,0|2,0,0]=4 7824 B9R1.17 CCCOCC1CSC1 64a1c8278d20c100c180e7544e8bcc71 [0,1,0,1,0,0|2,0,0]=4 7825 B9R1.17 CCCOC[C@@H]1CCO1 c245ae24508202032a63f9f16acb84cf [0,1,0,1,0,0|0,0,2]=4 7826 B9R1.17 CCCOC[C@H]1CCO1 41d8fefb0693f7efdbac57d0fec29667 [0,1,0,1,0,0|0,0,2]=4 7827 B9R1.17 CCNCCC1CCC1 2a6d507a82730c6232a4872c109a0b5c [0,1,0,1,0,0|1,0,1]=4 7828 B9R1.17 CCNCCC1CCO1 4ae5fe85c000a9c5bb25d4ff5bb61f46 [0,1,0,1,0,0|0,0,2]=4 7829 B9R1.17 CCNCCC1COC1 fef1783a53001c5a7436fea50261b718 [0,1,0,1,0,0|2,0,0]=4 7830 B9R1.17 CCNCC[C@@H]1CCO1 87fce7fd72273e8060816918b85a2637 [0,1,0,1,0,0|0,0,2]=4 7831 B9R1.17 CCOCCC1CCC1 b8fb156ada576d4ff345af9850e688ed [0,1,0,1,0,0|1,0,1]=4 7832 B9R1.17 CCOCCC1CCO1 cd6091d78b963fcc0d69fc11334e4cc1 [0,1,0,1,0,0|0,0,2]=4 7833 B9R1.17 CCOCCC1COC1 2c1aa299d046f19075b4f55753eb4b56 [0,1,0,1,0,0|2,0,0]=4 7834 B9R1.17 CCOCC[C@@H]1CCO1 5a8cf1d590ea701c17ab71cbcce8b435 [0,1,0,1,0,0|0,0,2]=4 7835 B9R1.17 CCOCC[C@H]1CCO1 585e9080fae90924dbee753be634e6b9 [0,1,0,1,0,0|0,0,2]=4 7836 B9R1.17 COCCCN1CCC1 f588b6aca63e709b96869fb6f0aa7bc2 [0,1,0,1,0,0|2,0,0]=4 7837 B9R1.17 COCCNC1CCC1 9d9583ce5997bdee2104887224bb3d8d [0,1,0,1,0,0|2,0,0]=4 7838 B9R1.17 COCCOC1CCC1 714762c7a2374ffedaa6396ba07bd982 [0,1,0,1,0,0|2,0,0]=4 7839 B9R1.17 COCNCC1CCC1 d81cbd03260e96d0b41898fa81931322 [0,1,0,1,0,0|2,0,0]=4 7840 B9R1.17 COCOCC1CCC1 8b689d4795025d681e5fff3550f78a35 [0,1,0,1,0,0|2,0,0]=4 7841 B9R1.17 CSCCCN1CCC1 3c4a1344fe0b06b24fd5489b5ce3405f [0,1,0,1,0,0|2,0,0]=4 7842 B9R1.17 CSCCNC1CCC1 189fc2dffa63ba2422aa25501e65c634 [0,1,0,1,0,0|2,0,0]=4 7843 B9R1.17 CSCCOC1CCC1 ddd6e7c756d1baa703d614ee8e45fe2d [0,1,0,1,0,0|2,0,0]=4 7844 B9R1.17 CSCNCC1CCC1 3c87964873476c212c51b1df4a9653a7 [0,1,0,1,0,0|2,0,0]=4 7845 B9R1.17 CSCOCC1CCC1 bedefa5460dd9daf8d601ebd120c7465 [0,1,0,1,0,0|2,0,0]=4 7846 B9R1.17 Cl/C=C/CNC1CCC1 5aef01f407cfaa93a155ea85a0750f71 [0,1,0,1,0,0|1,0,1]=4 7847 B9R1.17 Cl/C=C/COC1CCC1 e602016f5a5e443848d7a5df1baa050e [0,1,0,1,0,0|1,0,1]=4 7848 B9R1.17 Cl/C=C\CNC1CCC1 81bb455843cfa4692a14eb3e20218b60 [0,1,0,1,0,0|1,0,1]=4 7849 B9R1.17 Cl/C=C\COC1CCC1 4c7d9aba40864a175fa3171c252d5776 [0,1,0,1,0,0|1,0,1]=4 7850 B9R1.17 ClC=CCOC1CCC1 a501826c43419f7ae9c7daa1f1ed8e04 [0,1,0,1,0,0|1,0,1]=4 7851 B9R1.17 ClCCCNC1CCC1 5c4c7666294897f8cafd3a1d73fb8fad [0,1,0,1,0,0|1,0,1]=4 7852 B9R1.17 FCCCCN1CCC1 2240463599f5eb0155fc7405f9d8b607 [0,1,0,1,0,0|1,0,1]=4 7853 B9R1.17 FCCCNC1CCC1 80f1da3220536b2707c09d0c253405c5 [0,1,0,1,0,0|1,0,1]=4 7854 B9R1.17 FCCCOC1CCC1 340a580744ac35b9a16814a461bd6e0b [0,1,0,1,0,0|1,0,1]=4 7855 B9R1.17 FCCNCC1CCC1 31c7e0f59f163fcce52b6e97b11b3c8e [0,1,0,1,0,0|1,0,1]=4 7856 B9R1.17 FCCOCC1CCC1 82bcce98f73dbc2c6d505f58542894f6 [0,1,0,1,0,0|1,0,1]=4 7857 B9R1.17 FCNCCC1CCC1 b0c41aa4cb1598a48b45fa06a2473206 [0,1,0,1,0,0|1,0,1]=4 7858 B9R1.17 FCOCCC1CCC1 ac390425974b2cdfe56e29e455e898e6 [0,1,0,1,0,0|1,0,1]=4 7859 B9R1.17 ICCNCC1CCC1 e2b22335eb840e43e516740089bed064 [0,1,0,1,0,0|1,0,1]=4 7860 B9R1.17 N#CCCCN1CCC1 7120d0ddf48cc43f470c80cea8d2ef9a [0,1,0,1,0,0|1,0,1]=4 7861 B9R1.17 N#CCCNC1CCC1 f021285edc4e25c982bb2f6bbb899891 [0,1,0,1,0,0|1,0,1]=4 7862 B9R1.17 N#CCCOC1CCC1 2209711d8d7d8e229a21206a21d85002 [0,1,0,1,0,0|1,0,1]=4 7863 B9R1.17 N#CCNCC1CCC1 0eb099b337d2afc22336299d1903c2b4 [0,1,0,1,0,0|1,0,1]=4 7864 B9R1.17 N#CCOCC1CCC1 2af39d79d0689b7748e05434f23a5795 [0,1,0,1,0,0|1,0,1]=4 7865 B9R1.17 N#CNCCC1CCC1 d60b8f48def22b48fe85a927f06120eb [0,1,0,1,0,0|1,0,1]=4 7866 B9R1.17 NOCCNC1CCC1 07bc03fa18c756aa54c78dcb70c9fbf9 [0,1,0,1,0,0|2,0,0]=4 7867 B9R1.17 O/C=C\CNC1CCC1 f40d8cab44d9002b94a78cf51c0df6fd [0,1,0,1,0,0|0,0,2]=4 7868 B9R1.17 O=CCCCN1CCC1 c9421be176719d154eb5accc0053f780 [0,1,0,1,0,0|0,0,0]=2 7869 B9R1.17 O=CCCNC1CCC1 1b528abcf9d669c9f08c41d2e17cde6d [0,1,0,1,0,0|0,0,0]=2 7870 B9R1.17 O=CCCNC1COC1 00cc925a959752d614e674854d9483d1 [0,1,0,1,0,0|1,0,0]=3 7871 B9R1.17 O=CCCOC1CCC1 ca0325a8327dd5387ba03d5c4c035d7d [0,1,0,1,0,0|0,0,0]=2 7872 B9R1.17 O=CCCOC1COC1 d07b3b02d2724e6681cc4efe799ddcb6 [0,1,0,1,0,0|1,0,0]=3 7873 B9R1.17 O=CCCOC1CSC1 a9563b190c6825eaeb6555de6452e9bc [0,1,0,1,0,0|1,0,0]=3 7874 B9R1.17 O=CCNCC1CCC1 d9fc727438c262514562cfe2c9442588 [0,1,0,1,0,0|0,0,0]=2 7875 B9R1.17 O=CCNCC1CCO1 53951d28b9df08002a19d39ca06b7918 [0,1,0,1,0,0|1,0,0]=3 7876 B9R1.17 O=CCNCC1COC1 48b53a77c4dde2cc348a871e1accbed5 [0,1,0,1,0,0|1,0,0]=3 7877 B9R1.17 O=CCNC[C@@H]1CCO1 c7e724e65ea113db3b8415392e768b54 [0,1,0,1,0,0|1,0,0]=3 7878 B9R1.17 O=CCNC[C@H]1CCO1 4aed42d70e6d66954b2efd5890ed1d45 [0,1,0,1,0,0|1,0,0]=3 7879 B9R1.17 O=CCOCC1CCC1 df39e2693a3babd07be9a7e868d03e5c [0,1,0,1,0,0|0,0,0]=2 7880 B9R1.17 O=CCOCC1CCO1 ad64a9ccf1d143930aaf0f51c2aa134c [0,1,0,1,0,0|1,0,0]=3 7881 B9R1.17 O=CCOCC1COC1 7bc35b7dc9db121591ff34bd5659dce1 [0,1,0,1,0,0|1,0,0]=3 7882 B9R1.17 O=CCOCC1CSC1 0bfd3fdfe369cf64805dbdc14ec6ac93 [0,1,0,1,0,0|1,0,0]=3 7883 B9R1.17 O=CCOC[C@@H]1CCO1 4207442a892712e2538b05a4cbb7aad8 [0,1,0,1,0,0|1,0,0]=3 7884 B9R1.17 O=CCOC[C@H]1CCO1 833770d149e7932d30d50a5f6aa07c80 [0,1,0,1,0,0|1,0,0]=3 7885 B9R1.17 O=CNCCC1CCC1 e202ec16281bf0e218ffc459925c1fd6 [0,1,0,1,0,0|0,0,0]=2 7886 B9R1.17 O=CNCCC1CCO1 cdf38e52e7d02ed5e20cbef43a20f6b9 [0,1,0,1,0,0|1,0,0]=3 7887 B9R1.17 O=CNCCC1COC1 b9ec2701a554368fc6ec06579c4cd9f5 [0,1,0,1,0,0|1,0,0]=3 7888 B9R1.17 O=CNCCN1CCC1 6730ab1f9f0bf6f2fcaf5bbea4cd4d18 [0,1,0,1,0,0|1,0,0]=3 7889 B9R1.17 O=CNCC[C@@H]1CCO1 7931fbc71d7a018e517df0f2d3977f68 [0,1,0,1,0,0|1,0,0]=3 7890 B9R1.17 OCCCCN1CCC1 ad673b251846124d682e68d41bd69794 [0,1,0,1,0,0|0,0,2]=4 7891 B9R1.17 OCCCNC1CCC1 2d0a61911a932f7b3f70f4abdaf93c51 [0,1,0,1,0,0|0,0,2]=4 7892 B9R1.17 OCCNCC1CCC1 0db2b43d5f2b6e2bb72f605ddaa5a4a3 [0,1,0,1,0,0|0,0,2]=4 7893 B9R1.17 OCNCCC1CCC1 6cb48fdafa62be8921fec5036f8c18bd [0,1,0,1,0,0|0,0,2]=4 7894 B9R1.17 SCCCNC1CCC1 f2e275defa10f9762786c6b1eafdddda [0,1,0,1,0,0|0,1,1]=4 7895 B9R1.17 SCCCOC1CCC1 50e385aa32d0cd52e1165bbaa08dedca [0,1,0,1,0,0|0,1,1]=4 7896 B9R1.17 SCCNCC1CCC1 dc7e26a62e0a22f768fbcb60469c9a75 [0,1,0,1,0,0|0,1,1]=4 7897 B9R1.17 SCCOCC1CCC1 bf6bded4786a47dd707579e4d889696b [0,1,0,1,0,0|0,1,1]=4 7898 B9R1.39 C#CCN[C@@H]1CC[C@H]1C 3959e7b02060edbb837ad12f07b43668 [0,1,0,1,0,0|1,0,1]=4 7899 B9R1.39 C#CCN[C@H]1CC[C@H]1C ace01e04427e4400728c167f2a3761d6 [0,1,0,1,0,0|1,0,1]=4 7900 B9R1.39 C#CCOC1CCC1=O 22764573cefce84af58cb1dfe03eb87a [0,1,0,1,0,0|0,0,2]=4 7901 B9R1.39 C=CCNC1CCC1F 6a3bc87de19eb5b3477c97bc93860041 [0,1,0,1,0,0|2,0,0]=4 7902 B9R1.39 C=CCNC1CCC1O 229b9c96e83aa088372e4e4a6dcb59f2 [0,1,0,1,0,0|2,0,0]=4 7903 B9R1.39 C=CCNC1COC1C d54a19af88c511df58d712ce21236db8 [0,1,0,1,0,0|2,0,0]=4 7904 B9R1.39 C=CCN[C@@H]1CC[C@@H]1O 581922c99b9cc67a815fc476a69467a9 [0,1,0,1,0,0|2,0,0]=4 7905 B9R1.39 C=CCN[C@@H]1CC[C@H]1C 797a6c1bec8774f1131e38d629ebf289 [0,1,0,1,0,0|1,0,0]=3 7906 B9R1.39 C=CCN[C@@H]1CC[C@H]1O db22843ea538b97095e5d1f5c4aa2569 [0,1,0,1,0,0|2,0,0]=4 7907 B9R1.39 C=CCN[C@H]1CC[C@@H]1O 2113c2f777bf317720c87da6218a1fe9 [0,1,0,1,0,0|2,0,0]=4 7908 B9R1.39 C=CCN[C@H]1CC[C@H]1C a2113edba5b85ccfd3c7ed37a186f8af [0,1,0,1,0,0|1,0,0]=3 7909 B9R1.39 C=CCN[C@H]1CC[C@H]1O b862315085241fc8c33a026f8c10827a [0,1,0,1,0,0|2,0,0]=4 7910 B9R1.39 C=CCOC1CCC1=O 6f0a1a37a360a5a3993f15a5df8e8c98 [0,1,0,1,0,0|0,0,2]=4 7911 B9R1.39 C=CCOC1COC1C 912914be94532170f64f01b8025c395f [0,1,0,1,0,0|2,0,0]=4 7912 B9R1.39 CC1OCC1NCC=O 8d47a35fcaf3d0abffe6f38155949c87 [0,1,0,1,0,0|1,0,0]=3 7913 B9R1.39 CC1OCC1OCC=O ea69815746541ac6f999bf555977edb0 [0,1,0,1,0,0|1,0,0]=3 7914 B9R1.39 CCCNC1CCC1F f940797bfde24da6869058ae90b846c0 [0,1,0,1,0,0|1,0,1]=4 7915 B9R1.39 CCCNC1CCC1O d155a733c41c62abda7d08da95cfc65c [0,1,0,1,0,0|0,0,2]=4 7916 B9R1.39 CCCN[C@@H]1CC[C@@H]1O 26f710b672dad38acbb559b9bae73466 [0,1,0,1,0,0|0,0,2]=4 7917 B9R1.39 CCCN[C@@H]1CC[C@H]1C c8f45cad8802a2551c2c9ee0cd091dea [0,1,0,1,0,0|1,0,1]=4 7918 B9R1.39 CCCN[C@@H]1CC[C@H]1O 1240837254956ece18ef0c124fef8aba [0,1,0,1,0,0|0,0,2]=4 7919 B9R1.39 CCCN[C@H]1CC[C@@H]1O 393ffdf10510a7842b6493a44dc8cabe [0,1,0,1,0,0|0,0,2]=4 7920 B9R1.39 CCCN[C@H]1CC[C@H]1C b137abb955ecbcaefca08fee2aa51b9c [0,1,0,1,0,0|1,0,1]=4 7921 B9R1.39 CCCN[C@H]1CC[C@H]1O 05a01537d0a8846f5484509481105bbc [0,1,0,1,0,0|0,0,2]=4 7922 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,1,0,1,0,0|1,0,0]=3 7923 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|0,0,0]=2 7924 B9R1.39 CCNCC1CCN1C a96384cd7fa10b65dd71f41f74f587f2 [0,1,0,1,0,0|2,0,0]=4 7925 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,1,0,1,0,0|0,0,0]=2 7926 B9R1.39 CCOCC1CCC1F 9994a3fd455bbaa1c6e78ef99cb573e4 [0,1,0,1,0,0|1,0,1]=4 7927 B9R1.39 CCOCC1CCN1C 443076a5a5c0c92341424e44a2285954 [0,1,0,1,0,0|2,0,0]=4 7928 B9R1.39 CCOC[C@@H]1CCN1C b704fae6485fcd4e8c79279788df2d72 [0,1,0,1,0,0|2,0,0]=4 7929 B9R1.39 CCOC[C@H]1CCN1C dc420d4f2ee9d727227c6d46eb80d3eb [0,1,0,1,0,0|2,0,0]=4 7930 B9R1.39 CN1CCC1CNC=O 4ed43e8d18b2935d99bd7891c23f5d60 [0,1,0,1,0,0|1,0,0]=3 7931 B9R1.39 COCN[C@@H]1CC[C@H]1C 19c0fb2707947723e432ccb381787aa0 [0,1,0,1,0,0|2,0,0]=4 7932 B9R1.39 COCN[C@H]1CC[C@H]1C 0394228cbdba638b6cc7da58290fdd36 [0,1,0,1,0,0|2,0,0]=4 7933 B9R1.39 COCN[C@H]1CNC1=O 79ec673944e269da0c81c295a4fdcfe4 [0,1,0,1,0,0|2,0,0]=4 7934 B9R1.39 COCOC1CCC1=O cb47f60d015388daefcfa2b6dd0ad8dd [0,1,0,1,0,0|1,0,0]=3 7935 B9R1.39 CSCN[C@@H]1CC[C@H]1C 3cf8384fb34c3343d01431293f703541 [0,1,0,1,0,0|2,0,0]=4 7936 B9R1.39 CSCN[C@H]1CC[C@H]1C 14e3a40b0c932c1c66208dfab94745b5 [0,1,0,1,0,0|2,0,0]=4 7937 B9R1.39 CSCN[C@H]1CNC1=O 13ab6649debaba6c049234ac9c541a81 [0,1,0,1,0,0|2,0,0]=4 7938 B9R1.39 CSCOC1CCC1=O 7048061bc11cd0d22a524721b970ff41 [0,1,0,1,0,0|1,0,0]=3 7939 B9R1.39 C[C@@H]1CC[C@@H]1NCC#N 281150d7ecabdff753157a91bf20b5fc [0,1,0,1,0,0|1,0,1]=4 7940 B9R1.39 C[C@@H]1CC[C@@H]1NCC=O 010d1f07421a6ab7666be29e45bdb933 [0,1,0,1,0,0|0,0,0]=2 7941 B9R1.39 C[C@@H]1CC[C@@H]1NCCF 89fd5c2dffe3216934be01f30e9cbd16 [0,1,0,1,0,0|1,0,1]=4 7942 B9R1.39 C[C@@H]1CC[C@@H]1NCCO 06a8fabda842982d62baff95336c3842 [0,1,0,1,0,0|0,0,2]=4 7943 B9R1.39 C[C@@H]1CC[C@@H]1NCCS 1f79c57ecea77ce9c2581decfa360554 [0,1,0,1,0,0|0,1,1]=4 7944 B9R1.39 C[C@@H]1CC[C@H]1NCC#N e12695b0d81b698f4fd6e97b79dd25c0 [0,1,0,1,0,0|1,0,1]=4 7945 B9R1.39 C[C@@H]1CC[C@H]1NCC=O 5bdea5e6a123d69d5ec9a77ce96f151b [0,1,0,1,0,0|0,0,0]=2 7946 B9R1.39 C[C@@H]1CC[C@H]1NCCF 69326010ef1b670c9f088649c128218a [0,1,0,1,0,0|1,0,1]=4 7947 B9R1.39 C[C@@H]1CC[C@H]1NCCO 20e40c68c6c9e73ece74b6b077aa5521 [0,1,0,1,0,0|0,0,2]=4 7948 B9R1.39 C[C@@H]1CC[C@H]1NCCS 6c9d62403e05614cf2b1aeb4423229f7 [0,1,0,1,0,0|0,1,1]=4 7949 B9R1.39 N#CCOC1CCC1=O 96184e96628672d8f5a1769d7fe86bdb [0,1,0,1,0,0|1,0,1]=4 7950 B9R1.39 O=C1CCC1COCF 1634c48acd08b0642ca0e9a669398342 [0,1,0,1,0,0|1,0,0]=3 7951 B9R1.39 O=C1CCC1NCCI bbc9d8cfca0a3c47d4f408026b04c9ca [0,1,0,1,0,0|1,0,0]=3 7952 B9R1.39 O=C1CCC1NCCO 6ba8bc28b11ed8fcaf6b4ee2f92451e5 [0,1,0,1,0,0|1,0,0]=3 7953 B9R1.39 O=C1CCC1OCCF dd8162d9e9efdcef395b302d66117a1f [0,1,0,1,0,0|1,0,0]=3 7954 B9R1.39 O=C1CCC1OCCS 623af281b20256d582f920eb3b4a5f07 [0,1,0,1,0,0|1,0,0]=3 7955 B9R1.39 O=C1NC[C@@H]1NCCF 3b54114b322400c0f261b4adfa92d387 [0,1,0,1,0,0|2,0,0]=4 7956 B9R1.39 O=C1NC[C@@H]1NCCO a25df6bd47e1df40656516bf4b95022f [0,1,0,1,0,0|2,0,0]=4 7957 B9R1.39 O=C1NC[C@@H]1NCCS 94cfb0d26c3c333004bc9896c8a1b3ed [0,1,0,1,0,0|2,0,0]=4 7958 B9R1.39 O=CCNC1CCC1F f082f85f56586cb398eb1b149b790013 [0,1,0,1,0,0|1,0,0]=3 7959 B9R1.39 O=CCNC1CCC1O 123dc0b3c91dd7ff182bb805a40ce98b [0,1,0,1,0,0|1,0,0]=3 7960 B9R1.39 O=CCN[C@@H]1CC[C@@H]1O d7612e1757c0ece081dd528b83fe282b [0,1,0,1,0,0|1,0,0]=3 7961 B9R1.39 O=CCN[C@@H]1CC[C@H]1O 182b220c474d40b4e6c0526ba10de229 [0,1,0,1,0,0|1,0,0]=3 7962 B9R1.39 O=CCN[C@H]1CC[C@@H]1O 3e58017061e613410fad4778411deeb5 [0,1,0,1,0,0|1,0,0]=3 7963 B9R1.39 O=CCN[C@H]1CC[C@H]1O 0acbbb0584ec3f9cea59d2dad2c7a1b9 [0,1,0,1,0,0|1,0,0]=3 7964 B9R1.39 O=CCOC1CCC1=O b69820f01e9c9dee3f2ee1c5af29b3f5 [0,1,0,1,0,0|1,0,1]=4 7965 B9R1.83 BrCCNCCC1CC1 0da3fb55213cfb08f81b0cad2a283032 [0,1,0,1,0,0|1,0,1]=4 7966 B9R1.83 C#CCCCNC1CC1 7aafb661d36faafa26f55cb87daac92a [0,1,0,1,0,0|1,0,1]=4 7967 B9R1.83 C#CCCCOC1CC1 424ed4b9acf788531f0c0e01a9c561d7 [0,1,0,1,0,0|1,0,1]=4 7968 B9R1.83 C#CCCNCC1CC1 c1429b2eedf5e585f241a385c761c92b [0,1,0,1,0,0|1,0,1]=4 7969 B9R1.83 C#CCCOCC1CC1 b4e2e8e5af634b1ccc64d70f0cf69053 [0,1,0,1,0,0|1,0,1]=4 7970 B9R1.83 C#CCNCCC1CC1 708fbcc3b867ed755aa71277ccce5d03 [0,1,0,1,0,0|1,0,1]=4 7971 B9R1.83 C#CCOCCC1CC1 865f4ad6fe8e0653a758fae35f30d18f [0,1,0,1,0,0|1,0,1]=4 7972 B9R1.83 C/C=C/CCOC1CC1 f889ca5b2601f57d7b09c4f22deaad87 [0,1,0,1,0,0|1,0,1]=4 7973 B9R1.83 C/C=C/CNCC1CC1 9efe95867ef4f2036cfe20cf22c37417 [0,1,0,1,0,0|1,0,1]=4 7974 B9R1.83 C/C=C/COCC1CC1 84ba4f3d699fc619e338a6373e68ca68 [0,1,0,1,0,0|1,0,1]=4 7975 B9R1.83 C/C=C\CNCC1CC1 907b248d50bf55a78b0c5357c7302669 [0,1,0,1,0,0|1,0,1]=4 7976 B9R1.83 C/C=C\COCC1CC1 2999bbd5637ab2e784bcb55b0fa3c3ad [0,1,0,1,0,0|1,0,1]=4 7977 B9R1.83 C=C=CCCOC1CC1 e6554e15c293e7faa74abe74dd5299a3 [0,1,0,1,0,0|2,0,0]=4 7978 B9R1.83 C=CCCCNC1CC1 fd03e8d96a892feb80bd9124662e54eb [0,1,0,1,0,0|1,0,0]=3 7979 B9R1.83 C=CCCCOC1CC1 f50c46c5e6361c6f38ecbc945267201f [0,1,0,1,0,0|1,0,0]=3 7980 B9R1.83 C=CCCNCC1CC1 99f83c26da404011e22f37cdeeaa0989 [0,1,0,1,0,0|1,0,0]=3 7981 B9R1.83 C=CCCOCC1CC1 3c9b915cf00d6498b589d15c57a937be [0,1,0,1,0,0|1,0,0]=3 7982 B9R1.83 C=CCNCCC1CC1 0cc2360cdbffe20d82b5ece4cbb3be17 [0,1,0,1,0,0|1,0,0]=3 7983 B9R1.83 C=CCNCCN1CC1 d153e2130debd46f4c24007113c58c11 [0,1,0,1,0,0|2,0,0]=4 7984 B9R1.83 C=CCOCCC1CC1 6c68105a3b7e7c21024b8d52b38c3fcc [0,1,0,1,0,0|1,0,0]=3 7985 B9R1.83 C=CCOCCN1CC1 98f12ddaf158c825cad9b1bcc6ceb5eb [0,1,0,1,0,0|2,0,0]=4 7986 B9R1.83 C=COCCNC1CC1 de194d8695caa8e793a0fd361853e44a [0,1,0,1,0,0|2,0,0]=4 7987 B9R1.83 C=COCCOC1CC1 dab1da01423ce24e3c6490deb4b0c2b7 [0,1,0,1,0,0|2,0,0]=4 7988 B9R1.83 CC=CCNCC1CC1 fe3aa2d599950b5d04075747a1bfdea4 [0,1,0,1,0,0|1,0,1]=4 7989 B9R1.83 CC=CCOCC1CC1 d318dc70ece1ecb9bf542e9c745ab43f [0,1,0,1,0,0|1,0,1]=4 7990 B9R1.83 CCCCCNC1CC1 182e34f01f4e93ff96a1ffe590e2e53a [0,1,0,1,0,0|1,0,1]=4 7991 B9R1.83 CCCCCOC1CC1 c05908e5db456f2ab5194641355b6a73 [0,1,0,1,0,0|1,0,1]=4 7992 B9R1.83 CCCCNCC1CC1 a48f68a9567460a31d6726709248936a [0,1,0,1,0,0|1,0,1]=4 7993 B9R1.83 CCCCOCC1CC1 159db9ea02796d0040b64f5c82f606c6 [0,1,0,1,0,0|1,0,1]=4 7994 B9R1.83 CCCNCCC1CC1 3a624658db64a1f5f7cc51abb62a5a09 [0,1,0,1,0,0|1,0,1]=4 7995 B9R1.83 CCCOCCC1CC1 a38f09be96ec1efe289ea215f61e5202 [0,1,0,1,0,0|1,0,1]=4 7996 B9R1.83 CCOCCCC1CC1 58903da184310c5a30f3427e9b172b7e [0,1,0,1,0,0|1,0,1]=4 7997 B9R1.83 COCCCNC1CC1 61e0346d2aedb5376968ffa469e24fb4 [0,1,0,1,0,0|2,0,0]=4 7998 B9R1.83 COCCCOC1CC1 705ce8b98f637a601a7f909e2bb8bf18 [0,1,0,1,0,0|2,0,0]=4 7999 B9R1.83 COCCNCC1CC1 e817867eed8ab017b4ce3a432e30ee2f [0,1,0,1,0,0|2,0,0]=4 8000 B9R1.83 COCCOCC1CC1 c0b23423f684bb121df97881f90d0ff2 [0,1,0,1,0,0|2,0,0]=4 8001 B9R1.83 COCNCCC1CC1 52e892002e679fb8f1cecac3cbed406e [0,1,0,1,0,0|2,0,0]=4 8002 B9R1.83 COCOCCC1CC1 776755336f0844894f069bc96e1839b4 [0,1,0,1,0,0|2,0,0]=4 8003 B9R1.83 CSCCCNC1CC1 1ef124b37b1771d13536c1b6bf79b41c [0,1,0,1,0,0|2,0,0]=4 8004 B9R1.83 CSCCCOC1CC1 e1668796184b8d9fdd57314963a83868 [0,1,0,1,0,0|2,0,0]=4 8005 B9R1.83 CSCCNCC1CC1 29d6e15dd8efe8cfbb468cde13b97308 [0,1,0,1,0,0|2,0,0]=4 8006 B9R1.83 CSCCOCC1CC1 9ad24786d6f50a50a22c586ad4ae4c1f [0,1,0,1,0,0|2,0,0]=4 8007 B9R1.83 CSCNCCC1CC1 23fd54577feb56570193b0cf54247942 [0,1,0,1,0,0|2,0,0]=4 8008 B9R1.83 CSCOCCC1CC1 23a6a6a588a734ac97ae531b8ffd7bd0 [0,1,0,1,0,0|2,0,0]=4 8009 B9R1.83 Cl/C=C/CNCC1CC1 cc74b7775b36d9b7402d288043851218 [0,1,0,1,0,0|1,0,1]=4 8010 B9R1.83 Cl/C=C/COCC1CC1 aee76dbe02a63f8046a9f04a3f39ba2a [0,1,0,1,0,0|1,0,1]=4 8011 B9R1.83 Cl/C=C\CNCC1CC1 40a0989639f61ff47aa0aea8a39cf9d5 [0,1,0,1,0,0|1,0,1]=4 8012 B9R1.83 Cl/C=C\COCC1CC1 911ce12e9b18ba96671f78dbb017b236 [0,1,0,1,0,0|1,0,1]=4 8013 B9R1.83 ClC=CCOCC1CC1 0ada644dcc7984b953870120499529c9 [0,1,0,1,0,0|1,0,1]=4 8014 B9R1.83 ClCCCCNC1CC1 972820e6d76a502573380911256e795f [0,1,0,1,0,0|1,0,1]=4 8015 B9R1.83 ClCCCNCC1CC1 b0a542e48ba4dcc8d58b2a1c2f74d843 [0,1,0,1,0,0|1,0,1]=4 8016 B9R1.83 FCCCCNC1CC1 ed2ff121651ad1a2368d50a592868879 [0,1,0,1,0,0|1,0,1]=4 8017 B9R1.83 FCCCCOC1CC1 dd8ebe18f5f53fe4d3526349df0a3ac9 [0,1,0,1,0,0|1,0,1]=4 8018 B9R1.83 FCCCNCC1CC1 b8d88e6720a8f4a4a2efd5c38173a4ca [0,1,0,1,0,0|1,0,1]=4 8019 B9R1.83 FCCCOCC1CC1 25bc7b1ea2d13edf4caa9c8ea0915fd2 [0,1,0,1,0,0|1,0,1]=4 8020 B9R1.83 FCCNCCC1CC1 f89eea610cd2dcfc3ba9e245e54078d5 [0,1,0,1,0,0|1,0,1]=4 8021 B9R1.83 FCCOCCC1CC1 a6b822023ea7f580246931334a8efbc3 [0,1,0,1,0,0|1,0,1]=4 8022 B9R1.83 FCOCCCC1CC1 0b8c9326c555d9697fcaddb0289edb0e [0,1,0,1,0,0|1,0,1]=4 8023 B9R1.83 ICCNCCC1CC1 bcf7879b65284dad9f39fbe79d41d3e3 [0,1,0,1,0,0|1,0,1]=4 8024 B9R1.83 N#CCCCNC1CC1 debfc3897e3b96c33b6d649f3ab8f175 [0,1,0,1,0,0|1,0,1]=4 8025 B9R1.83 N#CCCCOC1CC1 13737cc96c57ae295c4f4c445c74b27f [0,1,0,1,0,0|1,0,1]=4 8026 B9R1.83 N#CCCNCC1CC1 a0dab48b30b369d29169f9c539a4f4bf [0,1,0,1,0,0|1,0,1]=4 8027 B9R1.83 N#CCCOCC1CC1 3177ad3b80c57457a0730c1e40ab7212 [0,1,0,1,0,0|1,0,1]=4 8028 B9R1.83 N#CCNCCC1CC1 cd92982d90a5fa85260de28fb00dbdbe [0,1,0,1,0,0|1,0,1]=4 8029 B9R1.83 N#CCOCCC1CC1 3e97a0940a5f212e4aea1e41d20280dc [0,1,0,1,0,0|1,0,1]=4 8030 B9R1.83 NOCCNCC1CC1 9d9fa93d603d3ff3fe84f06b47741165 [0,1,0,1,0,0|2,0,0]=4 8031 B9R1.83 O/C=C\CNCC1CC1 d334ec2882453580e7bf1aa7c14449be [0,1,0,1,0,0|0,0,2]=4 8032 B9R1.83 O=C/C=C/COC1CC1 5050d9c04a8a89aff1250a7e213af3c5 [0,1,0,1,0,0|0,0,2]=4 8033 B9R1.83 O=CCCCNC1CC1 90250eaeb8b0faae4f92ea1a0d59bfaf [0,1,0,1,0,0|0,0,0]=2 8034 B9R1.83 O=CCCCOC1CC1 8c56cd950e39548ad0d9b9606b829577 [0,1,0,1,0,0|0,0,0]=2 8035 B9R1.83 O=CCCNCC1CC1 7c4d27f4b68b41c8eddb041c82ef0a24 [0,1,0,1,0,0|0,0,0]=2 8036 B9R1.83 O=CCCOCC1CC1 daa9b247c38693dadc6d33a20c9e023c [0,1,0,1,0,0|0,0,0]=2 8037 B9R1.83 O=CCNCCC1CC1 c081918168c1dc9e5f44e991519eecf1 [0,1,0,1,0,0|0,0,0]=2 8038 B9R1.83 O=CCNCCN1CC1 e8ab8bc5eec11a4416c54797f171c427 [0,1,0,1,0,0|1,0,0]=3 8039 B9R1.83 O=CCOCCC1CC1 e95c5fc4c9f9574f689822c866eeb674 [0,1,0,1,0,0|0,0,0]=2 8040 B9R1.83 O=CCOCCN1CC1 e180a4a310ef673098f7407d6614588a [0,1,0,1,0,0|1,0,0]=3 8041 B9R1.83 O=CNCCOC1CC1 44267b449bf44e7f8fd59e98843644fe [0,1,0,1,0,0|1,0,0]=3 8042 B9R1.83 O=COCCOC1CC1 827a5d8c0ec3a0e23501930474206359 [0,1,0,1,0,0|1,0,0]=3 8043 B9R1.83 OCCCCNC1CC1 c4f4967ad469c6a279d6aa96bd53fadd [0,1,0,1,0,0|0,0,2]=4 8044 B9R1.83 OCCCNCC1CC1 40d7db90d231f4b1706e12f0cfad86e0 [0,1,0,1,0,0|0,0,2]=4 8045 B9R1.83 OCCNCCC1CC1 21febed634739e021e8829c4a7554e2e [0,1,0,1,0,0|0,0,2]=4 8046 B9R1.83 SCCCCNC1CC1 3431e387ca5ab10241cf6865cc637145 [0,1,0,1,0,0|0,1,1]=4 8047 B9R1.83 SCCCCOC1CC1 55cbba2b58e1b2b95945fe5c29452ae4 [0,1,0,1,0,0|0,1,1]=4 8048 B9R1.83 SCCCNCC1CC1 491ca919acdd387cb6b75f9e2951c526 [0,1,0,1,0,0|0,1,1]=4 8049 B9R1.83 SCCCOCC1CC1 de80acd598b0ab0e4f6ae9ac52b5337f [0,1,0,1,0,0|0,1,1]=4 8050 B9R1.83 SCCNCCC1CC1 9216eecf3ec31eb23dd673407029c88a [0,1,0,1,0,0|0,1,1]=4 8051 B9R1.83 SCCOCCC1CC1 0a094d3244fb51de09c4ba875a01eebc [0,1,0,1,0,0|0,1,1]=4 8052 B9R1.89 CCN1CCCCCC1 78f85fed93dd7010f5d48b439304c97c [0,1,0,1,0,0|1,0,1]=4 8053 B9R1.89 FCN1CCCCCC1 60c0199684985ea88d82a5db0516e27d [0,1,0,1,0,0|1,0,1]=4 8054 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,1,0,1,0,0|0,0,0]=2 8055 B9R1.89 O=CN1CCCOCC1 ac69421f50e86b391ee77e2bd7abf564 [0,1,0,1,0,0|1,0,0]=3 8056 B9R1.89 OCN1CCCCCC1 62c49bb1745f5c0f3dee14a3d4e5f5d5 [0,1,0,1,0,0|0,0,2]=4 8057 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [0,1,0,1,0,0|1,0,0]=3 8058 B9R1.1 CN1CCN(CC1)C=O 425b0a0854116b4d34ccf791328ead5e [0,1,0,1,0,0|2,0,0]=4 8059 B9R1.1 O=CN1CCC(CC1)Cl 0f8885b1cbec326e72007210720ce685 [0,1,0,1,0,0|1,0,0]=3 8060 B9R1.1 O=CN1CCC(CC1)F a8375fcd63170cc85e942f6f795820d2 [0,1,0,1,0,0|1,0,0]=3 8061 B9R1.1 O=CN1CCC(CC1)I 09840532f9aae62595854240e3123351 [0,1,0,1,0,0|1,0,0]=3 8062 B9R1.1 O=CN1CCC(CC1)O 9119fcb5a9f758b718576c8b3456fe09 [0,1,0,1,0,0|1,0,0]=3 8063 B9R1.11 CC(C=O)N1CCSC1 5e8097fdc686b2e7d76dedd1f64ee123 [0,1,0,1,0,0|2,0,0]=4 8064 B9R1.11 CN(C=O)C1CCOC1 25ca4f16a91f3107ff9e87d5adde4584 [0,1,0,1,0,0|2,0,0]=4 8065 B9R1.11 CN(C=O)[C@@H]1CCOC1 f85136c46c3b0a309253c227707c27ca [0,1,0,1,0,0|2,0,0]=4 8066 B9R1.11 CN(C=O)[C@H]1CCOC1 0259ec1bf703c36ed28ab9e80f8e89f6 [0,1,0,1,0,0|2,0,0]=4 8067 B9R1.11 C[C@H](C=O)N1CCSC1 1bbc796d7ce4b562983abfefc8690d2e [0,1,0,1,0,0|2,0,0]=4 8068 B9R1.21 C=CC1CCN(C1)CC 9fddcf238bb967e6e4de7b404f198b49 [0,1,0,1,0,0|2,0,0]=4 8069 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [0,1,0,1,0,0|1,0,0]=3 8070 B9R1.21 COC1CCN(C1)C=O eb1635d26f811d0395c1eac377e68acf [0,1,0,1,0,0|2,0,0]=4 8071 B9R1.21 CO[C@@H]1CCN(C1)C=O baabae39a3b9d32bd95572af9b467d63 [0,1,0,1,0,0|2,0,0]=4 8072 B9R1.21 CO[C@H]1CCN(C1)C=O 1345142eebbefb838f95222c23ecea5c [0,1,0,1,0,0|2,0,0]=4 8073 B9R1.21 O=CN1CCC(C1)CO 2a5ff912131a40733d604404f5dbc6a9 [0,1,0,1,0,0|2,0,0]=4 8074 B9R1.21 O=CN1CC[C@@H](C1)CO 1b5e86f32647c6df6e45e506df19b6c8 [0,1,0,1,0,0|2,0,0]=4 8075 B9R1.21 O=CN1CC[C@H](C1)CO c9a78c1ce4394e71f3a66edb1c5981a4 [0,1,0,1,0,0|2,0,0]=4 8076 B9R1.78 C=CC(C)NC1CC1C 5b9e00ba6325be12eaba77915e932149 [0,1,0,1,0,0|2,0,0]=4 8077 B9R1.78 CC(C=O)NC1CC1C 9481a61e1d347ba2202bef6d220427e4 [0,1,0,1,0,0|1,0,0]=3 8078 B9R1.78 CC(C=O)N[C@@H]1C[C@H]1F 7e22ea1cb13773cd386dce49b55d9219 [0,1,0,1,0,0|2,0,0]=4 8079 B9R1.78 CC(C=O)N[C@H]1C[C@@H]1F 5052c2be5a7d6f264b1f4e9270a31ebd [0,1,0,1,0,0|2,0,0]=4 8080 B9R1.78 CC(C=O)N[C@H]1C[C@H]1F 322c3b22e5376680097993c972aa0a96 [0,1,0,1,0,0|2,0,0]=4 8081 B9R1.78 CC1CC1NC(=O)C=O 11e45b3c0cb4be1c030cc515c6ac51d7 [0,1,0,1,0,0|1,0,1]=4 8082 B9R1.78 CC1CC1N[C@H](C)C=O be450241ecdade58c2950bbacd4356e6 [0,1,0,1,0,0|1,0,0]=3 8083 B9R1.78 C[C@H](C=O)N[C@@H]1C[C@H]1F 80971f8953801d97cf6bdfcfb584cec6 [0,1,0,1,0,0|2,0,0]=4 8084 B9R1.78 C[C@H](C=O)N[C@H]1C[C@@H]1F 895c2d20f836ab324a01ec79539592c7 [0,1,0,1,0,0|2,0,0]=4 8085 B9R1.78 C[C@H](C=O)N[C@H]1C[C@H]1F 99c5497c805f19dcd5f510758d080658 [0,1,0,1,0,0|2,0,0]=4 8086 B9R1.79 C=C(C=O)OC1CCC1 3ce60f8c8bdab9f4b265cf15cc89a954 [0,1,0,1,0,0|1,0,1]=4 8087 B9R1.79 C=CC(C)NC1CCC1 0fbf586c423f41e6d3c34ab4c06d3efd [0,1,0,1,0,0|2,0,0]=4 8088 B9R1.79 C=CC(C)OC1CCC1 86437af073ef6720bc4525acb7141504 [0,1,0,1,0,0|2,0,0]=4 8089 B9R1.79 C=C[C@H](C)OC1CCC1 d6b3f218157baafc8fa5691c5c3addfc [0,1,0,1,0,0|2,0,0]=4 8090 B9R1.79 CC(C=O)NC1CCC1 b4bdda6ebf622678c9a7f23cfaf63b98 [0,1,0,1,0,0|1,0,0]=3 8091 B9R1.79 CC(C=O)NC1COC1 6e765a970df37ab786987a9f5c4717dd [0,1,0,1,0,0|2,0,0]=4 8092 B9R1.79 CC(C=O)OC1CCC1 3ad197f933b80f60f4ae60061b095099 [0,1,0,1,0,0|1,0,0]=3 8093 B9R1.79 CC(C=O)OC1COC1 610503a8b0618ac270e32fad01ad44d0 [0,1,0,1,0,0|2,0,0]=4 8094 B9R1.79 CC(C=O)OC1CSC1 98c28f2ba348c3b70c5359457952b5c3 [0,1,0,1,0,0|2,0,0]=4 8095 B9R1.79 CN(C=O)CC1CCC1 7067673fcd6b5e288a96434bde2c4213 [0,1,0,1,0,0|1,0,0]=3 8096 B9R1.79 CN(C=O)CC1COC1 c241f0f4f3679ce6c3174407292cc8bb [0,1,0,1,0,0|2,0,0]=4 8097 B9R1.79 C[C@H](C=O)NC1CCC1 4e228b2e22af1a0861914580a0c9cf09 [0,1,0,1,0,0|1,0,0]=3 8098 B9R1.79 C[C@H](C=O)NC1COC1 bfae8a58634b0d8b72879406748c1d0c [0,1,0,1,0,0|2,0,0]=4 8099 B9R1.79 C[C@H](C=O)OC1CCC1 a8149e9585a28788a34126b9a0b430ea [0,1,0,1,0,0|1,0,0]=3 8100 B9R1.79 C[C@H](C=O)OC1COC1 8313de5436d99bba561a266eb917e64e [0,1,0,1,0,0|2,0,0]=4 8101 B9R1.79 C[C@H](C=O)OC1CSC1 2d33956f2dda585b84797138fe69a233 [0,1,0,1,0,0|2,0,0]=4 8102 B9R1.79 O=CC(=O)NC1CCC1 42e01e0dbbe276ce23cdaf55d5bdf28d [0,1,0,1,0,0|1,0,1]=4 8103 B9R1.80 C=C(C=O)OCC1CC1 19c54a69dca512d54cd8a6a00bb7ed8b [0,1,0,1,0,0|1,0,1]=4 8104 B9R1.80 C=CC(C)COC1CC1 2a89afcde2fb28df3b744181dc7e49c1 [0,1,0,1,0,0|2,0,0]=4 8105 B9R1.80 C=CC(C)NCC1CC1 9c781954a7d6b92120c7bb4ab11ea6a8 [0,1,0,1,0,0|2,0,0]=4 8106 B9R1.80 C=CC(C)OCC1CC1 940bdc59b29d7b9f7b6d5708b8e5a78c [0,1,0,1,0,0|2,0,0]=4 8107 B9R1.80 C=CC(O)CNC1CC1 9651f8d43922fb18d78d73fd3293d226 [0,1,0,1,0,0|2,0,0]=4 8108 B9R1.80 C=C[C@H](C)OCC1CC1 5f3f6610f60ef3a694d062d56d16ead9 [0,1,0,1,0,0|2,0,0]=4 8109 B9R1.80 CC(C=O)NCC1CC1 429dea9367a4c55400688a31cd29b9b7 [0,1,0,1,0,0|1,0,0]=3 8110 B9R1.80 CC(C=O)OCC1CC1 e0e640dbc22ded242e79f76216140c14 [0,1,0,1,0,0|1,0,0]=3 8111 B9R1.80 C[C@H](C=O)NCC1CC1 6f0c8d8ee412ec3778b786749721cf4e [0,1,0,1,0,0|1,0,0]=3 8112 B9R1.80 C[C@H](C=O)OCC1CC1 53d16c8fcc83412c0fbcbb0c1f40f33f [0,1,0,1,0,0|1,0,0]=3 8113 B9R1.80 O=CC(=O)NCC1CC1 f85b85f0b158ad0ed7afad1789eae3f6 [0,1,0,1,0,0|1,0,1]=4 8114 B9R1.88 CCN(C)C1CC1C=O 0729d48aab029c526bce459b38925d5d [0,1,0,1,0,0|1,0,0]=3 8115 B9R1.99 C=CCCNC1(CC1)C b7cd65bff1ee2f0d98b7c4d9935f4274 [0,1,0,1,0,0|2,0,0]=4 8116 B9R1.99 C=CCNCC1(CC1)F de04c68e31cd353f057abf2d36a56003 [0,1,0,1,0,0|2,0,0]=4 8117 B9R1.99 C=CCNCC1(CC1)O 355d13b9df87a68125ee9394e026a3e9 [0,1,0,1,0,0|2,0,0]=4 8118 B9R1.99 C=CCOCC1(CC1)Br d37a6984d58b7530291e19384dc373df [0,1,0,1,0,0|2,0,0]=4 8119 B9R1.99 C=CCOCC1(CC1)C f387acfd168a9a86b71cdb6bccabfb3d [0,1,0,1,0,0|2,0,0]=4 8120 B9R1.99 C=CCOCC1(CC1)Cl 9b52ede946361c9eba899045dfb898d0 [0,1,0,1,0,0|2,0,0]=4 8121 B9R1.99 C=CCOCC1(CC1)F 34764e5fca977bd7052b2b3e14737753 [0,1,0,1,0,0|2,0,0]=4 8122 B9R1.99 CC1(CC1)COCC=O b166dfb9468c1e850f96d829f605a37f [0,1,0,1,0,0|1,0,0]=3 8123 B9R1.99 CC1(CC1)NCCC=O f34d15e4dc86d9c54743796c99d8e3f6 [0,1,0,1,0,0|1,0,0]=3 8124 B9R1.99 O=CCNCC1(CC1)F 39ea74dc9702d0387dc57bf32089bbf1 [0,1,0,1,0,0|1,0,0]=3 8125 B9R1.99 O=CCNCC1(CC1)O 90c8c7d181a71caaefe4191e3ee2df20 [0,1,0,1,0,0|1,0,0]=3 8126 B9R1.99 O=CCOCC1(CC1)Br 2f4cf0f6748a003b50403677e488e461 [0,1,0,1,0,0|1,0,0]=3 8127 B9R1.99 O=CCOCC1(CC1)Cl 7c664b4090fb4b753b85caad72b569b6 [0,1,0,1,0,0|1,0,0]=3 8128 B9R1.99 O=CCOCC1(CC1)F baad38c60c93835284a25e51dfa6195a [0,1,0,1,0,0|1,0,0]=3 8129 B9R1.99 O=CNCCC1(CC1)O 8c86b927d6288afd81cbd41372f8c3a6 [0,1,0,1,0,0|1,0,0]=3 8130 B9R1.132 CC1C(CCN1C=O)O 6224b15dc429c09dff767b50cb0be4d8 [0,1,0,1,0,0|1,0,0]=3 8131 B9R1.132 C[C@@H]1[C@@H](CCN1C=O)O 3c7246ef7fbf0f5b38ead5c398cfb526 [0,1,0,1,0,0|1,0,0]=3 8132 B9R1.132 C[C@H]1[C@H](CCN1C=O)O d9842832849031601c0df07d9d01d0a4 [0,1,0,1,0,0|1,0,0]=3 8133 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [0,1,0,1,0,0|2,0,0]=4 8134 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [0,1,0,1,0,0|2,0,0]=4 8135 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [0,1,0,1,0,0|2,0,0]=4 8136 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [0,1,0,1,0,0|2,0,0]=4 8137 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [0,1,0,1,0,0|1,0,0]=3 8138 B9R1.13 CC(=O)NC1CCOC1 c5177dfe9e6c084a2da585e140eb24a0 [0,1,0,1,0,0|2,0,0]=4 8139 B9R1.13 CC(=O)NC1CCSC1 730ac5b1a87c9b477c5040aed194c284 [0,1,0,1,0,0|2,0,0]=4 8140 B9R1.13 CC(=O)N[C@@H]1CCOC1 a0946b6158cd267ecce33909819f831a [0,1,0,1,0,0|2,0,0]=4 8141 B9R1.13 CC(=O)N[C@H]1CCOC1 1f47913b87a63d932081a27afac44166 [0,1,0,1,0,0|2,0,0]=4 8142 B9R1.13 CC(C)OC1C=CCC1 efb9e40ecea5a44e08bbcb1f691b8b79 [0,1,0,1,0,0|2,0,0]=4 8143 B9R1.13 NC(=O)CN1CCSC1 22be898db8492311f4a4cae51daf2cd1 [0,1,0,1,0,0|2,0,0]=4 8144 B9R1.13 O=C(O)CN1CCSC1 3cee187b91b84407a74d8a64ddd2529a [0,1,0,1,0,0|2,0,0]=4 8145 B9R1.24 CC1(CCCN1C=O)C bfcdc2fdf4723a8bc6b719b67d8712b1 [0,1,0,1,0,0|1,0,0]=3 8146 B9R1.24 CC1(COCN1C=O)C 1cd6c43ff851db5f79624cbd4ded1952 [0,1,0,1,0,0|2,0,0]=4 8147 B9R1.24 CC1(OCCN1C=O)C 3ecb6c4b73b93c283ed9aa2c0ba5042d [0,1,0,1,0,0|2,0,0]=4 8148 B9R1.24 CC1(SCCN1C=O)C 8d8a404daa2634874cadd5273d865928 [0,1,0,1,0,0|2,0,0]=4 8149 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [0,1,0,1,0,0|1,0,0]=3 8150 B9R1.41 CC(=O)N1CCCC1O b5790fb44bfcbecb21ad5fbf05ca9a35 [0,1,0,1,0,0|2,0,0]=4 8151 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [0,1,0,1,0,0|1,0,0]=3 8152 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [0,1,0,1,0,0|1,0,0]=3 8153 B9R1.41 CC(=O)N1CCSC1C 13a90b79e1eaed8ff645ef446550c0e3 [0,1,0,1,0,0|2,0,0]=4 8154 B9R1.46 C=C(Br)CNC1CC1C 6a21ba73831e8c995c5be343bd73ffab [0,1,0,1,0,0|2,0,0]=4 8155 B9R1.46 C=C(C)CNC1CC1C 2b9ed88b52a9db253a701d69a05910c6 [0,1,0,1,0,0|2,0,0]=4 8156 B9R1.46 C=C(Cl)CNC1CC1C 41939aef17647277c90201ff2ab0dbe1 [0,1,0,1,0,0|2,0,0]=4 8157 B9R1.46 C=C(F)CNC1CC1C 9a99a8fc778f2902c8674b440d7aa4db [0,1,0,1,0,0|2,0,0]=4 8158 B9R1.46 C=C1CC1COC(C)C bd4682c2a1e93525776b7505cd509127 [0,1,0,1,0,0|2,0,0]=4 8159 B9R1.46 CC1CC1NCC(=O)N 0f761d58efdd237db8c0f17aea937594 [0,1,0,1,0,0|1,0,0]=3 8160 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,1,0,1,0,0|1,0,0]=3 8161 B9R1.46 CC1CC1NC[N+](=O)[O-] e62512da68fa2e001869e91cd0ad930b [0,1,0,1,0,0|2,0,0]=4 8162 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 3b2b6520b4ae83ab4e1ce2b8b3b6429a [0,1,0,1,0,0|2,0,0]=4 8163 B9R1.46 NC(=O)CN[C@H]1C[C@@H]1F 69bd8c1f10a36ab70a4088bf55d26d09 [0,1,0,1,0,0|2,0,0]=4 8164 B9R1.46 NC(=O)CN[C@H]1C[C@H]1F 2794dd04c73e89c247d26f60b9701a61 [0,1,0,1,0,0|2,0,0]=4 8165 B9R1.46 O=C(O)CN[C@@H]1C[C@H]1F a6c43cdb6b93e8ffb5565a60fb69e134 [0,1,0,1,0,0|2,0,0]=4 8166 B9R1.46 O=C(O)CN[C@H]1C[C@@H]1F 69d5a409f8843b0b8e9804d9f047552d [0,1,0,1,0,0|2,0,0]=4 8167 B9R1.46 O=C(O)CN[C@H]1C[C@H]1F cedd2a80fac675c783fcb497e5c8c7a7 [0,1,0,1,0,0|2,0,0]=4 8168 B9R1.56 CC1(OCC1NC=O)C 16c9e502ebdf8ccb69136b277a21af6f [0,1,0,1,0,0|2,0,0]=4 8169 B9R1.67 CC(=O)NC1CCC1F 55e0226d065f98903a565e96ead37deb [0,1,0,1,0,0|2,0,0]=4 8170 B9R1.67 CC(=O)NC1CCC1O d5d791e34b0dd746abea58e641e7eb71 [0,1,0,1,0,0|2,0,0]=4 8171 B9R1.67 CC(=O)NC1COC1C 8a920b5eb5f4182753f432fdd48c3fbd [0,1,0,1,0,0|2,0,0]=4 8172 B9R1.67 CC(=O)N[C@@H]1CC[C@@H]1O 4643b690b6b53ddad1b5aeb87bd8a349 [0,1,0,1,0,0|2,0,0]=4 8173 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1C 5c49b9b8f08f59f55b778fc02f7c64d4 [0,1,0,1,0,0|1,0,0]=3 8174 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1O fba29ddb8346f550c0015141c61e8c98 [0,1,0,1,0,0|2,0,0]=4 8175 B9R1.67 CC(=O)N[C@H]1CC[C@@H]1O 263fe95019aba723bed92cdedf021005 [0,1,0,1,0,0|2,0,0]=4 8176 B9R1.67 CC(=O)N[C@H]1CC[C@H]1C c339870f892b73bf50fa9d649fc76de5 [0,1,0,1,0,0|1,0,0]=3 8177 B9R1.67 CC(=O)N[C@H]1CC[C@H]1O 2992e307b4aa4b78fb6fc80c541a013f [0,1,0,1,0,0|2,0,0]=4 8178 B9R1.67 CC(C)N[C@H]1CNC1=O 3974b22a7367872daaa4f688eda0456a [0,1,0,1,0,0|2,0,0]=4 8179 B9R1.67 CC(C)OC1CCC1=O 11e32319af5fad4b832da68a85d1c646 [0,1,0,1,0,0|1,0,0]=3 8180 B9R1.77 C=CCCN1CC1(C)C 6f4c37a81884616237a2fbd80ff47ff6 [0,1,0,1,0,0|2,0,0]=4 8181 B9R1.77 C=CCNC1CC1(C)C 4e737c4363742c6645b25c5e2361c54c [0,1,0,1,0,0|2,0,0]=4 8182 B9R1.77 C=CCN[C@@H]1CC1(C)C 64f8b84957166678a43187dab6551a24 [0,1,0,1,0,0|2,0,0]=4 8183 B9R1.77 C=CCN[C@H]1CC1(C)C 5fce633b8eb6a72a6420efcd087cc6ee [0,1,0,1,0,0|2,0,0]=4 8184 B9R1.77 CC1(CC1NCC=O)C c45a04222ed783d27a7fa1fa69a4c6c5 [0,1,0,1,0,0|1,0,0]=3 8185 B9R1.77 CC1(CN1CCC=O)C b69bfd7b4a528d7da24ed54284b6b891 [0,1,0,1,0,0|1,0,0]=3 8186 B9R1.77 CC1(C[C@@H]1CNC=O)C 3e381864c4c3957e452de49544b52363 [0,1,0,1,0,0|1,0,0]=3 8187 B9R1.77 CC1(C[C@@H]1NCC=O)C dd1d665bb0ade7df710b160064679c6b [0,1,0,1,0,0|1,0,0]=3 8188 B9R1.77 CC1(C[C@H]1CNC=O)C 0408b2a5d68dbed3166182738d396a84 [0,1,0,1,0,0|1,0,0]=3 8189 B9R1.77 CC1(C[C@H]1NCC=O)C b623798934e15bd6858ccc5adbc71e17 [0,1,0,1,0,0|1,0,0]=3 8190 B9R1.77 O=CCNC1CC1(F)F b2498ecc3526d4db572fda6ab785076d [0,1,0,1,0,0|2,0,0]=4 8191 B9R1.77 O=CCOC1CC1(F)F ab301ba60269e7b924933c2765559437 [0,1,0,1,0,0|2,0,0]=4 8192 B9R1.84 C=C(Br)CNC1CCC1 b5332afd557992b85a5b176b740e7ead [0,1,0,1,0,0|2,0,0]=4 8193 B9R1.84 C=C(Br)COC1CCC1 f0299dc579956f565c871cc427746846 [0,1,0,1,0,0|2,0,0]=4 8194 B9R1.84 C=C(C)CCN1CCC1 b236683847aba1fe01d439e57227afaa [0,1,0,1,0,0|2,0,0]=4 8195 B9R1.84 C=C(C)CNC1CCC1 4a23e4c060f1fb43861ecdae16709370 [0,1,0,1,0,0|2,0,0]=4 8196 B9R1.84 C=C(C)COC1CCC1 543c9c519279dd68009467313a91bb34 [0,1,0,1,0,0|2,0,0]=4 8197 B9R1.84 C=C(Cl)CNC1CCC1 fd97072f13db5e9d4614f7e2de2ea754 [0,1,0,1,0,0|2,0,0]=4 8198 B9R1.84 C=C(Cl)COC1CCC1 0ed4ba90e018bc78f519c36cbf723e49 [0,1,0,1,0,0|2,0,0]=4 8199 B9R1.84 C=C(F)CNC1CCC1 4937bd35b62cb510ffde34809b286e41 [0,1,0,1,0,0|2,0,0]=4 8200 B9R1.84 C=C(F)COC1CCC1 4e2e517366406bc26b5321085d6c13f4 [0,1,0,1,0,0|2,0,0]=4 8201 B9R1.84 C=C(I)COC1CCC1 f7e50cec6d8c94d518e081f2313fe81f [0,1,0,1,0,0|2,0,0]=4 8202 B9R1.84 CC(=O)CCN1CCC1 c956718020bd2b18bed19cbea6541b6f [0,1,0,1,0,0|1,0,0]=3 8203 B9R1.84 CC(=O)CNC1CCC1 bd7acdba40fc474c96d220c49c50bbfc [0,1,0,1,0,0|1,0,0]=3 8204 B9R1.84 CC(=O)CNC1COC1 34b9c76c982929db7f109f80d0c4fd5e [0,1,0,1,0,0|2,0,0]=4 8205 B9R1.84 CC(=O)COC1CCC1 d88d952edae987109b22eaffa67aceef [0,1,0,1,0,0|1,0,0]=3 8206 B9R1.84 CC(=O)COC1COC1 5801aa7efbf00c0e367deacdd1b9cb40 [0,1,0,1,0,0|2,0,0]=4 8207 B9R1.84 CC(=O)NCC1CCC1 49ba76efa54494cc240e1d7dd1323f42 [0,1,0,1,0,0|1,0,0]=3 8208 B9R1.84 CC(=O)NCC1CCO1 74e9962ae59f4502bd57c52161ee5de6 [0,1,0,1,0,0|2,0,0]=4 8209 B9R1.84 CC(=O)NCC1COC1 06f36132d2ba2aaa4f8f4e9acac72ed3 [0,1,0,1,0,0|2,0,0]=4 8210 B9R1.84 CC(=O)NC[C@@H]1CCO1 baaf61a8c2cd88fd09af18fef905e8f1 [0,1,0,1,0,0|2,0,0]=4 8211 B9R1.84 CC(=O)NC[C@H]1CCO1 089f4a24e0b07350837a3d7a33ecfc52 [0,1,0,1,0,0|2,0,0]=4 8212 B9R1.84 CC(=O)OCN1CCC1 638bb9b9bb086da0d3d66884a5e5b05c [0,1,0,1,0,0|2,0,0]=4 8213 B9R1.84 CS(=O)CCN1CCC1 19f0b29a53ac90d43023e7a94eee5ed2 [0,1,0,1,0,0|2,0,0]=4 8214 B9R1.84 NC(=O)CCN1CCC1 7c7dcf2beb6babc71bb570ae0577e033 [0,1,0,1,0,0|1,0,0]=3 8215 B9R1.84 NC(=O)CNC1CCC1 22d17700eecb0c06f3b842c18a223914 [0,1,0,1,0,0|1,0,0]=3 8216 B9R1.84 NC(=O)CNC1COC1 a8c2e3a30adc74103bfe0a6e7bc55c70 [0,1,0,1,0,0|2,0,0]=4 8217 B9R1.84 NC(=O)COC1CCC1 2e70bd2c52f1b1ce8734b1f0deba9c6c [0,1,0,1,0,0|1,0,0]=3 8218 B9R1.84 NC(=O)COC1COC1 bc67e502b04ada45953557a5c7290473 [0,1,0,1,0,0|2,0,0]=4 8219 B9R1.84 NC(=O)COC1CSC1 b2fb3a99e520396fb80d4daaad793056 [0,1,0,1,0,0|2,0,0]=4 8220 B9R1.84 NC(=O)SCN1CCC1 27cb4cd83017a3127f67b165efda134e [0,1,0,1,0,0|2,0,0]=4 8221 B9R1.84 NC(=S)COC1CCC1 2859db688683b26698d3d7e03074b26a [0,1,0,1,0,0|1,1,0]=4 8222 B9R1.84 O=C(O)CCN1CCC1 c7456b9216b4090bb9138555bed1407a [0,1,0,1,0,0|1,0,0]=3 8223 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [0,1,0,1,0,0|1,0,0]=3 8224 B9R1.84 O=C(O)CNC1COC1 6bb06b4c2db0ff27bdfc2db31b9d0a43 [0,1,0,1,0,0|2,0,0]=4 8225 B9R1.84 O=C(O)COC1CCC1 6ea2b5eaf8c15cb47b19add287442093 [0,1,0,1,0,0|1,0,0]=3 8226 B9R1.84 O=C(O)COC1COC1 018c9639a2203f1b493d64da9ef6e678 [0,1,0,1,0,0|2,0,0]=4 8227 B9R1.84 O=C(O)COC1CSC1 386bd6c5f64faff25702916ce2fff970 [0,1,0,1,0,0|2,0,0]=4 8228 B9R1.84 O=S(O)COC1CCC1 41f090ccc207301c7067fca8add75b7b [0,1,0,1,0,0|2,0,0]=4 8229 B9R1.84 O=[N+]([O-])CNC1CCC1 f1e5213872773fd463505dddc18fadf3 [0,1,0,1,0,0|2,0,0]=4 8230 B9R1.84 O=[N+]([O-])COC1CCC1 a48e089ba01b1bd1072131689cc3ec6e [0,1,0,1,0,0|2,0,0]=4 8231 B9R1.85 C=C(Br)CCOC1CC1 e3312cf41fc063801f575f3664b7e218 [0,1,0,1,0,0|2,0,0]=4 8232 B9R1.85 C=C(Br)CNCC1CC1 48d2e19cc12571f0b747d8946a047a66 [0,1,0,1,0,0|2,0,0]=4 8233 B9R1.85 C=C(Br)COCC1CC1 72eed00bc2f8e00b0099015e72c2cd8f [0,1,0,1,0,0|2,0,0]=4 8234 B9R1.85 C=C(C)CCNC1CC1 6ae96494db2a3a4fc4ed3a2a1637d035 [0,1,0,1,0,0|2,0,0]=4 8235 B9R1.85 C=C(C)CCOC1CC1 ddccda51fae4017136f8b3a868b4dd9c [0,1,0,1,0,0|2,0,0]=4 8236 B9R1.85 C=C(C)CNCC1CC1 628bc75d287b4f812cc8465de02f17f7 [0,1,0,1,0,0|2,0,0]=4 8237 B9R1.85 C=C(C)COCC1CC1 603f38758eee841c895005229814bd4b [0,1,0,1,0,0|2,0,0]=4 8238 B9R1.85 C=C(Cl)CNCC1CC1 6872c59df27d0869a77c777c3f4cc4b5 [0,1,0,1,0,0|2,0,0]=4 8239 B9R1.85 C=C(Cl)COCC1CC1 e89eb66864a4bf1519ae687951fd59fe [0,1,0,1,0,0|2,0,0]=4 8240 B9R1.85 C=C(F)CNCC1CC1 8a1f3f077a28213a137b73fb34c4bbae [0,1,0,1,0,0|2,0,0]=4 8241 B9R1.85 C=C(F)COCC1CC1 1221b82cfe1b9ce180c9dd23d57c682a [0,1,0,1,0,0|2,0,0]=4 8242 B9R1.85 C=C(I)COCC1CC1 488dc2053d0eed68e56b9809cc9fb852 [0,1,0,1,0,0|2,0,0]=4 8243 B9R1.85 CC(=O)CCNC1CC1 47abd95c844e9d1957c333790f465980 [0,1,0,1,0,0|1,0,0]=3 8244 B9R1.85 CC(=O)CCOC1CC1 71bcc53c6961c217f2fe0eeac463e457 [0,1,0,1,0,0|1,0,0]=3 8245 B9R1.85 CC(=O)CNCC1CC1 0e70ea741601e77cf733a6778389766b [0,1,0,1,0,0|1,0,0]=3 8246 B9R1.85 CC(=O)COCC1CC1 e2c3813cb7e7a8aa347ec5eecae51c32 [0,1,0,1,0,0|1,0,0]=3 8247 B9R1.85 CC(=O)NCCC1CC1 e17912b5d20abd22f2eb1736360bbd32 [0,1,0,1,0,0|1,0,0]=3 8248 B9R1.85 CC(=O)NCCN1CC1 5a0c4535a5a496142ea1508023641fc9 [0,1,0,1,0,0|2,0,0]=4 8249 B9R1.85 CC(=O)NCOC1CC1 70ce6f7c14c837c1b045f23cbea930af [0,1,0,1,0,0|2,0,0]=4 8250 B9R1.85 CC(=O)OCNC1CC1 da62e5e32d1f81a77a949f5af5a6b75f [0,1,0,1,0,0|2,0,0]=4 8251 B9R1.85 CC(=O)OCOC1CC1 629a62a109941175cd54150945f4f00b [0,1,0,1,0,0|2,0,0]=4 8252 B9R1.85 CS(=O)CCNC1CC1 5168ea55db471330d31f17c7dec6d5ef [0,1,0,1,0,0|2,0,0]=4 8253 B9R1.85 CS(=O)CCOC1CC1 0eb2c24935f0b7436887342c8c46aa3d [0,1,0,1,0,0|2,0,0]=4 8254 B9R1.85 NC(=O)CCNC1CC1 483a1398436bb03ac3b47583a045e7fa [0,1,0,1,0,0|1,0,0]=3 8255 B9R1.85 NC(=O)CCOC1CC1 e606ed505d7697d9f714c4395a14fa31 [0,1,0,1,0,0|1,0,0]=3 8256 B9R1.85 NC(=O)CNCC1CC1 20ebedd011b375c931ef532bff65156e [0,1,0,1,0,0|1,0,0]=3 8257 B9R1.85 NC(=O)COCC1CC1 96a956ffbb3f4717e41e4ec22d046bcb [0,1,0,1,0,0|1,0,0]=3 8258 B9R1.85 NC(=O)NCOC1CC1 6c6241a0ba40cff9ded7f5b2fd89b8c6 [0,1,0,1,0,0|2,0,0]=4 8259 B9R1.85 NC(=O)SCNC1CC1 31363d66faf309bf152bf4f8fb990bb1 [0,1,0,1,0,0|2,0,0]=4 8260 B9R1.85 NC(=O)SCOC1CC1 a67d6152d32b3e27dc058c54797ca56f [0,1,0,1,0,0|2,0,0]=4 8261 B9R1.85 NC(=S)CCNC1CC1 dabf37beef5e7d4a005079c313648b28 [0,1,0,1,0,0|1,1,0]=4 8262 B9R1.85 NC(=S)COCC1CC1 c305a74582f848a2e9b8ad48ea04e199 [0,1,0,1,0,0|1,1,0]=4 8263 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [0,1,0,1,0,0|1,0,0]=3 8264 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [0,1,0,1,0,0|1,0,0]=3 8265 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,1,0,1,0,0|1,0,0]=3 8266 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,1,0,1,0,0|1,0,0]=3 8267 B9R1.85 O=S(O)CCNC1CC1 94430ad6d7db95012341d5c559357b1e [0,1,0,1,0,0|2,0,0]=4 8268 B9R1.85 O=S(O)COCC1CC1 0d96823bb52c88fc09e1ef8215fd789f [0,1,0,1,0,0|2,0,0]=4 8269 B9R1.85 O=[N+]([O-])CCOC1CC1 3f50b65f1c424b0211e3f7a3098afb59 [0,1,0,1,0,0|2,0,0]=4 8270 B9R1.85 O=[N+]([O-])CNCC1CC1 76f5a8ee734858575227517ac39bd00f [0,1,0,1,0,0|2,0,0]=4 8271 B9R1.85 O=[N+]([O-])COCC1CC1 ee8a76dfb23d62fde6d21e146aec884c [0,1,0,1,0,0|2,0,0]=4 8272 B9R1.86 CC(=O)N[C@@H]1C[C@H]1CO 0ac341c281dc9252b106f5d7b9e0551f [0,1,0,1,0,0|2,0,0]=4 8273 B9R1.86 CC(=O)N[C@H]1C[C@@H]1CO 228632cfd2f8d7f21118d84b7904f197 [0,1,0,1,0,0|2,0,0]=4 8274 B9R1.86 CC(=O)N[C@H]1C[C@H]1CO 38116f4ae17d91e0551dbf756c4676ef [0,1,0,1,0,0|2,0,0]=4 8275 B9R1.86 CC(C)OC1CC1C=O e1bf6579abc99ea01c28d306409611f4 [0,1,0,1,0,0|1,0,0]=3 8276 B9R1.86 CO[C@H]1C[C@H]1NC(=O)C b71e84ef949a92b8a12e539c63f6f21c [0,1,0,1,0,0|2,0,0]=4 8277 B9R1.96 CC(=O)N1CCC1CO 4d698f746732a35d30d4a2a283dfba7a [0,1,0,1,0,0|2,0,0]=4 8278 B9R1.96 CC(=O)N1CC[C@@H]1CO 03a3cbc0642d664b630044c6f3081dfc [0,1,0,1,0,0|2,0,0]=4 8279 B9R1.96 CC(=O)N1CC[C@H]1CO e8831b596318a484a992d94f488d625a [0,1,0,1,0,0|2,0,0]=4 8280 B9R1.96 CCC1CCN1C(=O)C f8a8c2660e185a53a38bd009b5fd9a1e [0,1,0,1,0,0|1,0,0]=3 8281 B9R1.96 CCN1CCC1C(=O)N 1cfe5ebf987ecebafa868cbdeb4b7422 [0,1,0,1,0,0|1,0,0]=3 8282 B9R1.96 CCN1CCC1C(=O)O ca0bbfd670281167636f7e4dd4cc56bf [0,1,0,1,0,0|1,0,0]=3 8283 B9R1.96 CCN1CC[C@@H]1C(=O)N d26915c9d0e6ed65803bfdf786a1b1ce [0,1,0,1,0,0|1,0,0]=3 8284 B9R1.96 CCN1CC[C@@H]1C(=O)O e809f9b39a76e5f73ee720d520f2d8da [0,1,0,1,0,0|1,0,0]=3 8285 B9R1.96 CCN1CC[C@H]1C(=O)N 32f8eb51fb894d3b554c30dd0433e814 [0,1,0,1,0,0|1,0,0]=3 8286 B9R1.96 CCN1CC[C@H]1C(=O)O 90d4ef3b77b2d2edfd444739e71a1146 [0,1,0,1,0,0|1,0,0]=3 8287 B9R1.96 NC(=O)C1CCN1CF 7e26fbd4c0256bdec99f2bbb3baf2130 [0,1,0,1,0,0|2,0,0]=4 8288 B9R1.96 NC(=O)C1CCN1CO f4000c84d952eade99020a829f553245 [0,1,0,1,0,0|2,0,0]=4 8289 B9R1.96 NC(=O)[C@@H]1CCN1CF e88364b41becd763b132e401e03969af [0,1,0,1,0,0|2,0,0]=4 8290 B9R1.96 NC(=O)[C@@H]1CCN1CO 2441a2a8cc07592b331fc68f9d6b6291 [0,1,0,1,0,0|2,0,0]=4 8291 B9R1.96 NC(=O)[C@H]1CCN1CF 65e3b1f4166374d1a9fab6df019a123e [0,1,0,1,0,0|2,0,0]=4 8292 B9R1.96 NC(=O)[C@H]1CCN1CO df672a69977a513555269b135b27e07d [0,1,0,1,0,0|2,0,0]=4 8293 B9R1.96 O=C(O)C1CCN1CF a73c50a5747fbf1c9dcb89ff140eef56 [0,1,0,1,0,0|2,0,0]=4 8294 B9R1.96 O=C(O)C1CCN1CO dcd47fec92d7cd22c146c2f982367c0e [0,1,0,1,0,0|2,0,0]=4 8295 B9R1.96 O=C(O)[C@@H]1CCN1CF 33bf6032edb12ba6e0c6af4b3ab637c5 [0,1,0,1,0,0|2,0,0]=4 8296 B9R1.96 O=C(O)[C@@H]1CCN1CO 2d3df4b77e74f2ed1add2f1fa0f35f44 [0,1,0,1,0,0|2,0,0]=4 8297 B9R1.96 O=C(O)[C@H]1CCN1CF 732a43f42ed58b977b82331718d13123 [0,1,0,1,0,0|2,0,0]=4 8298 B9R1.96 O=C(O)[C@H]1CCN1CO 49245c491708831bcf451e59d5634aff [0,1,0,1,0,0|2,0,0]=4 8299 B9R2.47 O=CN1CC2CC2C1 36a8f9666de0b344dd5d7bcd36723907 [0,0,0,2,0,0|1,0,0]=3 8300 B9R2.65 O=CN1C2C1CCC2 35dd2a078e80056fcadb05b73d230f9b [0,0,0,2,0,0|1,0,0]=3 8301 B9R2.70 O=CN1CCC2C1C2 d206edc137cc271c5c4fc8f637217354 [0,0,0,2,0,0|1,0,0]=3 8302 B9R2.59 O=CN1CC2CC1C2 7083bd67d5f57ca82c07e3256b09b489 [0,0,0,2,0,0|1,0,0]=3