0 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,0,0,0,0,0|1,0,2]=3 24 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,0,0,0,0|2,0,2]=4 25 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,0,0,0,0|1,0,2]=3 27 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,0,0,0,0|2,0,2]=4 29 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,0,0,0,0|1,0,1]=2 31 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,0,0,0,0|2,0,2]=4 32 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,0,0,0,0|1,0,3]=4 36 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,0,0,0,0|1,1,2]=4 37 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,0,0,0,0|2,0,2]=4 40 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,0,0,0,0|1,0,1]=2 41 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,0,0,0,0|2,0,2]=4 42 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,0,0,0,0|1,1,2]=4 44 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,0,0,0,0|1,0,3]=4 49 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,0,0,0,0|1,0,1]=2 56 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,0,0,0,0|2,0,2]=4 57 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,0,0,0,0|1,1,2]=4 58 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,0,0,0,0|3,0,1]=4 59 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,0,0,0,0|3,0,1]=4 60 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,0,0,0,0,0|2,0,2]=4 61 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,0,0,0,0|2,0,1]=3 62 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,0,0,0,0,0|2,0,2]=4 65 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,0,0,0,0|2,0,1]=3 70 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,0,0,0,0|2,0,1]=3 73 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,0,0,0,0|2,0,1]=3 74 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,0,0,0,0|2,0,2]=4 76 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|1,0,1]=3 79 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|1,0,2]=4 83 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|2,0,1]=4 88 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|1,1,1]=4 90 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,1,1]=4 93 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|3,0,0]=4 94 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,1,0,0,0,0|1,0,2]=4 102 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,1,0,0,0,0|1,0,2]=4 103 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,0,0,0,0|2,0,1]=4 105 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,1,0,0,0,0|0,0,2]=3 107 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,1,0,0,0,0|0,0,2]=3 110 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,1,0,0,0,0|2,0,1]=4 112 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,0,0,0,0|1,0,2]=4 114 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,0,0,0,0|2,0,1]=4 116 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,0,0,0,0|2,0,1]=4 123 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,1,0,0,0,0|1,0,2]=4 124 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,0,0,0,0|1,0,2]=4 125 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,0,0,0,0|2,0,1]=4 127 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,1,0,0,0,0|1,0,2]=4 130 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,0,0,0,0|1,0,2]=4 131 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,0,0,0,0|2,0,1]=4 133 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,1,0,0,0,0|1,0,2]=4 136 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,1,0,0,0,0|1,0,2]=4 137 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,1,0,0,0,0|1,0,2]=4 138 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,1,0,0,0,0|2,0,1]=4 142 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,1,0,0,0,0|2,0,1]=4 144 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,1,0,0,0,0|0,0,3]=4 147 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,1,0,0,0,0|0,0,3]=4 148 B7R0.1 CC/C=C/CNC#N f23fe182dd452d354a78f38e4f70e513 [0,1,0,0,0,0|1,0,1]=3 149 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [0,1,0,0,0,0|1,0,1]=3 151 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,1,0,0,0,0|1,0,1]=3 152 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,1,0,0,0,0|0,0,2]=3 154 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,1,0,0,0,0|0,0,2]=3 156 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,0,0,0,0|0,0,2]=3 158 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,0,0,0,0|0,0,2]=3 159 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,0,0,0,0|0,0,2]=3 160 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,0,0,0,0|0,0,2]=3 164 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,1,0,0,0,0|2,0,1]=4 165 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,1,0,0,0,0|2,0,1]=4 166 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,0,0,0,0|0,0,2]=3 168 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,1,0,0,0,0|0,0,2]=3 169 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,0,0,0,0|0,0,2]=3 170 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,1,0,0,0,0|1,0,1]=3 173 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,0,0,0,0|1,0,1]=3 175 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,0,0,0,0|1,0,1]=3 176 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,1,0,0,0,0|1,0,1]=3 177 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,0,0,0,0|1,0,1]=3 180 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,0,0,0,0|1,0,1]=3 181 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,1,0,0,0,0|1,0,2]=4 182 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,1,0,0,0,0|1,0,2]=4 185 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,1,0,0,0,0|2,0,1]=4 186 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,0,0,0,0|1,0,1]=3 190 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,0,0,0,0|1,0,1]=3 191 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,1,0,0,0,0|1,0,2]=4 194 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,0,0,0,0|1,0,1]=3 196 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,0,0,0,0|1,0,1]=3 197 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,0,0,0,0|1,0,1]=3 198 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [0,1,0,0,0,0|1,0,2]=4 200 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,1,0,0,0,0|1,0,1]=3 202 B7R0.1 O=CNCC#CCO de36c027e3f97477ee098e50b3b66fc9 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,0,0,0,0|1,0,2]=4 205 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,0,0,0,0|2,0,1]=4 209 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|1,0,2]=4 211 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,0,0,0,0|2,0,1]=4 212 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,1,0,0,0,0|2,0,1]=4 216 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,1,0,0,0,0|2,0,1]=4 217 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,1,0,0,0,0|2,0,1]=4 219 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,0,0,0,0|2,0,1]=4 223 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,1,0,0,0,0|2,0,1]=4 224 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,1,0,0,0,0|2,0,1]=4 225 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,1,0,0,0,0|2,0,1]=4 226 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,0,0,0,0|2,0,1]=4 227 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,1,0,0,0,0|2,0,1]=4 230 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,1,0,0,0,0|2,0,1]=4 232 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,1,0,0,0,0|2,0,1]=4 233 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|1,0,2]=4 238 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|1,1,1]=4 239 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,1,0,0,0,0|1,0,1]=3 241 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,1,0,0,0,0|1,0,1]=3 242 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,0,0,0,0|1,0,2]=4 244 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|1,0,2]=4 245 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,0,0,0,0|1,0,1]=3 248 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,0,0,0,0|1,0,1]=3 249 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,0,0,0,0|1,0,1]=3 250 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,1,0,0,0,0|1,0,1]=3 251 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,1,0,0,0,0|1,0,1]=3 252 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,1,0,0,0,0|1,0,1]=3 253 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,1,0,0,0,0|1,0,2]=4 254 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,1,0,0,0,0|1,0,2]=4 255 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,1,0,0,0,0|1,0,1]=3 257 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,1,0,0,0,0|2,0,1]=4 258 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,0,0,0,0|2,0,1]=4 260 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|2,0,1]=4 262 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,1,0,0,0,0|2,0,1]=4 266 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,1,0,0,0,0|2,0,1]=4 269 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,1,0,0,0,0|2,0,1]=4 271 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,0,0,0,0|2,0,1]=4 277 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,1,0,0,0,0|1,0,2]=4 280 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|2,0,1]=4 281 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,0,0,0,0|2,0,1]=4 284 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,0,0,0,0|2,0,1]=4 286 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,1,0,0,0,0|2,0,1]=4 287 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,1,0,0,0,0|2,0,1]=4 288 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,1,0,0,0,0|2,0,1]=4 291 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,1,0,0,0,0|2,0,1]=4 292 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [0,1,0,0,0,0|2,0,1]=4 295 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|2,0,1]=4 301 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|2,0,1]=4 302 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|2,0,1]=4 303 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,0,0,0,0|1,0,2]=4 304 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,0,0,0,0|2,0,1]=4 305 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,1,0,0,0,0|1,0,2]=4 307 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,1,0,0,0,0|1,0,1]=3 308 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,1,0,0,0,0|1,0,1]=3 309 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,1,0,0,0,0|1,0,1]=3 310 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,1,0,0,0,0|1,0,1]=3 311 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,1,0,0,0,0|1,0,2]=4 312 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,1,0,0,0,0|1,0,1]=3 313 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,1,0,0,0,0|1,0,1]=3 314 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,0,0,0,0|1,0,2]=4 315 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,0,0,0,0|1,0,2]=4 316 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|1,0,1]=3 317 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,0,0,0,0|1,0,1]=3 318 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,0,0,0,0|2,0,1]=4 320 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|1,0,1]=3 321 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,0,0,0,0|1,0,1]=3 322 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|1,0,1]=3 323 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,0,0,0,0|1,1,1]=4 324 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,1,0,0,0,0|2,0,1]=4 326 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,0,0,0,0|1,0,1]=3 327 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|1,0,1]=3 328 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,0,0,0,0|1,1,1]=4 329 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,0,0,0,0|1,0,1]=3 332 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,0,0,0,0|1,0,1]=3 333 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|1,0,1]=3 334 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,0,0,0,0|2,0,1]=4 335 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,0,0,0,0|2,0,1]=4 336 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,0,0,0,0|2,0,1]=4 338 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|2,0,1]=4 341 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,0,0,0,0|2,0,1]=4 342 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|2,0,1]=4 349 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|2,0,1]=4 350 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,1,0,0,0,0|1,0,1]=3 351 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,1,0,0,0,0|1,0,2]=4 352 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,1,0,0,0,0|1,0,1]=3 353 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,1,0,0,0,0|1,0,1]=3 354 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,1,0,0,0,0|1,0,1]=3 356 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|2,0,1]=4 363 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,0,0,0,0|2,0,1]=4 365 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,0,0,0,0|2,0,1]=4 366 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,0,0,0,0|2,0,1]=4 375 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,0,0,0,0|2,0,1]=4 376 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [0,1,0,0,0,0|2,0,1]=4 377 B7R0.4 O=CCOCC(F)F e1093cd74239d1a778019e251c691d5f [0,1,0,0,0,0|2,0,1]=4 378 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,0,0,0,0|2,0,1]=4 382 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,1,0,0,0,0|1,0,2]=4 384 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,1,0,0,0,0|1,0,1]=3 385 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,1,0,0,0,0|1,0,2]=4 386 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.7 N#CNC(=O)CC=O 00d35f36071353fd9b74b5678e82283b [0,1,0,0,0,0|2,0,1]=4 389 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,0,0,1,0,0|1,0,2]=4 390 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,0,0,1,0,0|2,0,1]=4 391 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,0,0,1,0,0|1,0,2]=4 392 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,0,0,1,0,0|2,0,1]=4 393 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,0,0,1,0,0|1,0,1]=3 394 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,0,0,1,0,0|2,0,1]=4 395 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [0,0,0,1,0,0|2,0,1]=4 396 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,0,0,1,0,0|1,0,1]=3 397 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,0,0,1,0,0|1,0,1]=3 398 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,0,0,1,0,0|1,0,2]=4 399 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,1,0,0,0,0|1,0,0]=3 400 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [1,1,0,0,0,0|2,0,0]=4 402 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,1,0,0,0,0|2,0,0]=4 403 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,1,0,0,0,0|2,0,0]=4 404 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,1,0,0,0,0|2,0,0]=4 405 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,1,0,0,0,0|1,0,1]=4 407 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|1,0,1]=4 408 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,1,0,0,0,0|1,0,0]=3 409 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,1,0,0,0,0|1,0,0]=3 410 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,1,0,0,0,0|1,0,1]=4 411 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,1,0,0,0,0|1,0,1]=4 412 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,1,0,0,0,0|1,0,1]=4 415 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 416 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,1,0,0,0,0|2,0,0]=4 418 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,1,0,0,0,0|2,0,0]=4 419 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|1,0,1]=4 422 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|2,0,0]=4 424 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,1,0,0,0,0|1,0,0]=3 427 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,1]=4 429 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,0]=3 430 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|1,0,0]=3 431 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|1,0,0]=3 433 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,0,0]=3 434 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,1,0]=4 436 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [1,1,0,0,0,0|2,0,0]=4 440 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,1,0,0,0,0|2,0,0]=4 441 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|2,0,0]=4 442 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|2,0,0]=4 443 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|2,0,0]=4 444 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|2,0,0]=4 446 B8R0.1 C#CCNC(=O)CC=O 77a8010a094f1d4162084dbefe249d28 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [0,2,0,0,0,0|0,0,2]=4 448 B8R0.1 C=CCC(=O)NCCBr 88693f23f16092ca5dd266571e10a0e0 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,2,0,0,0,0|1,0,1]=4 450 B8R0.1 C=CCC(=O)NCCF b423ce63ff163e8a3f1e834dcf6b878a [0,2,0,0,0,0|2,0,0]=4 451 B8R0.1 C=CCC(=O)NCCI 3e84a2a94db213ccfed4bfa0a31b248c [0,2,0,0,0,0|2,0,0]=4 452 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.1 C=CCC(=O)NCCS 6f95ca251253e31286d39bbf0aa786fe [0,2,0,0,0,0|2,0,0]=4 454 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,2,0,0,0,0|1,0,1]=4 456 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,2,0,0,0,0|0,0,2]=4 457 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,2,0,0,0,0|0,0,1]=3 458 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,2,0,0,0,0|0,0,2]=4 459 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,2,0,0,0,0|0,0,2]=4 460 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,2,0,0,0,0|0,0,2]=4 461 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,2,0,0,0,0|0,0,2]=4 462 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,2,0,0,0,0|0,0,2]=4 463 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,2,0,0,0,0|0,0,2]=4 464 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,2,0,0,0,0|0,0,2]=4 465 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,2,0,0,0,0|0,0,1]=3 466 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,2,0,0,0,0|0,0,2]=4 467 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,2,0,0,0,0|0,0,2]=4 468 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.1 CCNC(=O)CNC=O d640e3fac3bdd04f4eea38aa909b37a0 [0,2,0,0,0,0|1,0,0]=3 470 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,2,0,0,0,0|1,0,0]=3 471 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,2,0,0,0,0|1,0,1]=4 472 B8R0.1 CN(CC=O)CCCO e829ef1e39177735d96baabedb183026 [0,2,0,0,0,0|1,0,1]=4 473 B8R0.1 CN(CCF)CCC=O 8931c69c0220d8a040f4b6d70039493e [0,2,0,0,0,0|1,0,1]=4 474 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,2,0,0,0,0|1,0,1]=4 475 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,2,0,0,0,0|1,0,1]=4 476 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.1 COCCN(C)CC=O c7dafc3b396de10656291e435de6410a [0,2,0,0,0,0|1,0,1]=4 478 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,2,0,0,0,0|1,0,1]=4 479 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,2,0,0,0,0|1,0,1]=4 480 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,2,0,0,0,0|1,0,1]=4 481 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,2,0,0,0,0|1,0,1]=4 482 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,2,0,0,0,0|1,0,1]=4 483 B8R0.1 CSCCN(C)CC=O 89a7838ed9276e35ce7d12178b247609 [0,2,0,0,0,0|1,0,1]=4 484 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,2,0,0,0,0|1,0,1]=4 485 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,2,0,0,0,0|1,0,1]=4 486 B8R0.1 N#CCNC(=O)CC=O ea1e96bce48b7c02224d547e10001ea0 [0,2,0,0,0,0|1,0,1]=4 487 B8R0.1 O=CCC(=O)NCCBr 8b1b2be7d6ffc84641a1c6691a60af35 [0,2,0,0,0,0|1,0,0]=3 488 B8R0.1 O=CCC(=O)NCCF 4ea801c19e9d5e221b09c0d94e9d22d6 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.1 O=CCC(=O)NCCI 5e46bfbd499e49eb692800cabe7dbb38 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.1 O=CCC(=O)NCCS a557fd8735c6b5636e1772043f123e46 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.4 C#CCCCNCC=O 414eda3adfc1222b484fdc6699f74335 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.4 C#CCCCOCC=O 2bd65d8b9d5cba6b9cf170827e92955f [0,2,0,0,0,0|1,0,1]=4 494 B8R0.4 C#CCCNCCC=O bc9ca51a96083c72c5825d8142093fbc [0,2,0,0,0,0|1,0,1]=4 495 B8R0.4 C#CCCOCCC=O 7ad6db0675809531b0be56beb69dc38e [0,2,0,0,0,0|1,0,1]=4 496 B8R0.4 C#CCNC/C=C/CC 39df58767baf3afa772434ec9faffe76 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.4 C#CCOC/C=C/CC 752a2e489daedd119549118eaee08738 [0,2,0,0,0,0|1,0,1]=4 498 B8R0.4 C#CCOC/C=C\CC 6f0fabfcf344804e4bf66fe21c15bf06 [0,2,0,0,0,0|1,0,1]=4 499 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [0,2,0,0,0,0|1,0,1]=4 500 B8R0.4 C/C=C/C=C/COCF 02510bc1e5437b525e5ca68e059cfda2 [0,2,0,0,0,0|1,0,1]=4 501 B8R0.4 C/C=C/CCOCC=O 5db978802355adcac3a83b93d1859621 [0,2,0,0,0,0|0,0,2]=4 502 B8R0.4 C/C=C/COCCC=O a43ce373801c50acebabd363747860bf [0,2,0,0,0,0|0,0,2]=4 503 B8R0.4 C/C=C\COCCC=O c26106eb88bd1cd81d1af342374c2631 [0,2,0,0,0,0|0,0,2]=4 504 B8R0.4 C=C/C=C/CCNC=O 5f5a45858f3ff325a2fd6c8f3e87724d [0,2,0,0,0,0|0,0,2]=4 505 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,2,0,0,0,0|1,0,1]=4 509 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,2,0,0,0,0|1,0,0]=3 510 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.4 CC#CCCOCC=O 4c04347fb225e9caa89db4068f49522e [0,2,0,0,0,0|1,0,1]=4 512 B8R0.4 CC#CCNCCC=O 695aaa08bc1098a9ad9b2ad16ca9a18d [0,2,0,0,0,0|1,0,1]=4 513 B8R0.4 CC#CCOCCC=O 12f959adc804eb71938fa75dc36ad2f6 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [0,2,0,0,0,0|0,0,2]=4 515 B8R0.4 CC/C=C/CCOCF 016afc62275da200b50eda51355efb67 [0,2,0,0,0,0|0,0,2]=4 516 B8R0.4 CC/C=C/CNCC#N f5e125ee3d2e18e576d6599acbaf1be7 [0,2,0,0,0,0|1,0,1]=4 517 B8R0.4 CC/C=C/CNCCBr 1efd764ee57dc65be1c0b16587baa891 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [0,2,0,0,0,0|1,0,1]=4 519 B8R0.4 CC/C=C/CNCCF 941667b58ffa216efb1af53e94ad7152 [0,2,0,0,0,0|1,0,1]=4 520 B8R0.4 CC/C=C/CNCCI 6d6706276d9cacecb7dbbca8ea7b453a [0,2,0,0,0,0|1,0,1]=4 521 B8R0.4 CC/C=C/CNCCO 141b854b7ea740721874c3a88dd89e50 [0,2,0,0,0,0|0,0,2]=4 522 B8R0.4 CC/C=C/CNCCS 45052a68f5bdd8de4365f76aaf1ba3d0 [0,2,0,0,0,0|0,1,1]=4 523 B8R0.4 CC/C=C/COCC#N 02b76d5228b9f970d7bd7fa26edc79dc [0,2,0,0,0,0|1,0,1]=4 524 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,2,0,0,0,0|0,0,0]=2 525 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [0,2,0,0,0,0|1,0,1]=4 526 B8R0.4 CC/C=C/COCCF 2a8967892fd524c5820478ef10bcc725 [0,2,0,0,0,0|1,0,1]=4 527 B8R0.4 CC/C=C/COCCS d6ad362599078ed5bc582011934d083a [0,2,0,0,0,0|0,1,1]=4 528 B8R0.4 CC/C=C/COCOC 3dfee6432437086c29231f9b1b3a76a8 [0,2,0,0,0,0|0,0,2]=4 529 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,2,0,0,0,0|0,1,1]=4 530 B8R0.4 CC/C=C\CCNC#N 596ee05200d62a327088b392de8df1f0 [0,2,0,0,0,0|1,0,1]=4 531 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [0,2,0,0,0,0|0,0,2]=4 532 B8R0.4 CC/C=C\CCOCF b8616b8f54d30d73f96ef217eba31f2c [0,2,0,0,0,0|0,0,2]=4 533 B8R0.4 CC/C=C\COCC#N 470c51425997c74c551e30f33c442d75 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,2,0,0,0,0|0,0,0]=2 535 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [0,2,0,0,0,0|1,0,1]=4 536 B8R0.4 CC/C=C\COCCF 2b38e120135402cc20ee9ae0b698961a [0,2,0,0,0,0|1,0,1]=4 537 B8R0.4 CC/C=C\COCCS 811a9bd602c4f49de9eadd9afc91808f [0,2,0,0,0,0|0,1,1]=4 538 B8R0.4 CC/C=C\COCOC 2a89ae2104c37be23e4faf0d1930f1ff [0,2,0,0,0,0|0,0,2]=4 539 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,2,0,0,0,0|0,1,1]=4 540 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [0,2,0,0,0,0|1,0,1]=4 541 B8R0.4 CC=CC=CCOCF 1aa20a7eea5c51200b32b92fc0ce88f4 [0,2,0,0,0,0|1,0,1]=4 542 B8R0.4 CC=CCNCCC=O 2a80025488f2160a303377e7638af432 [0,2,0,0,0,0|0,0,2]=4 543 B8R0.4 CC=CCOCCC=O 11b79e80ce2ed0bdd15b0d17abab0682 [0,2,0,0,0,0|0,0,2]=4 544 B8R0.4 CCC#CCOCC=O 99290f74ddb0278e9538fb31d6282bff [0,2,0,0,0,0|0,0,2]=4 545 B8R0.4 CCC/C=C/CNC#N 3fc7b3ae1f610d46cdd36aa175edd26f [0,2,0,0,0,0|1,0,1]=4 546 B8R0.4 CCC/C=C/COCC 194c2fe9a034aa9429bf8b431746f7e5 [0,2,0,0,0,0|1,0,1]=4 547 B8R0.4 CCC/C=C/COCF 363b3dafb0c99a41f008be5dc0bd0a1d [0,2,0,0,0,0|1,0,1]=4 548 B8R0.4 CCC/C=C\CNC#N 24b87857166cbb6e43d838ab8de7c996 [0,2,0,0,0,0|1,0,1]=4 549 B8R0.4 CCC/C=C\COCC 6a1508b69f1117002ddef7a5ce847c5e [0,2,0,0,0,0|1,0,1]=4 550 B8R0.4 CCC/C=C\COCF 32dee642d588426359eb4e546e1f4c84 [0,2,0,0,0,0|1,0,1]=4 551 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,2,0,0,0,0|0,0,2]=4 552 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,2,0,0,0,0|0,0,2]=4 553 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,2,0,0,0,0|0,0,2]=4 554 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,2,0,0,0,0|0,0,2]=4 555 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,2,0,0,0,0|0,0,2]=4 556 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,2,0,0,0,0|0,0,2]=4 557 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,2,0,0,0,0|0,0,2]=4 558 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,2,0,0,0,0|0,0,2]=4 559 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,2,0,0,0,0|0,0,2]=4 560 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,2,0,0,0,0|0,0,2]=4 561 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,2,0,0,0,0|0,0,2]=4 562 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [0,2,0,0,0,0|0,0,2]=4 563 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,2,0,0,0,0|0,0,2]=4 564 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [0,2,0,0,0,0|0,0,2]=4 565 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [0,2,0,0,0,0|0,0,2]=4 566 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,2,0,0,0,0|0,0,2]=4 567 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,2,0,0,0,0|0,0,2]=4 568 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,2,0,0,0,0|0,0,2]=4 569 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,2,0,0,0,0|0,0,2]=4 570 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,2,0,0,0,0|0,0,2]=4 571 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,2,0,0,0,0|0,0,2]=4 572 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,2,0,0,0,0|0,0,2]=4 573 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [0,2,0,0,0,0|0,0,2]=4 574 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [0,2,0,0,0,0|0,0,2]=4 575 B8R0.4 COCOCCNC=O d2f3dc716da407412ea36aea7489896a [0,2,0,0,0,0|1,0,1]=4 576 B8R0.4 COCOCCOC=O 773d5ab92f0785e20c35a5ecfa8aef71 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,2,0,0,0,0|0,0,2]=4 578 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,2,0,0,0,0|0,0,2]=4 579 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,2,0,0,0,0|0,0,2]=4 580 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,2,0,0,0,0|0,0,2]=4 581 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,2,0,0,0,0|0,0,2]=4 582 B8R0.4 CSCOC/C=C/C=O 8214affd03209cc6c710ec092140e7af [0,2,0,0,0,0|0,0,2]=4 583 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,2,0,0,0,0|0,0,2]=4 584 B8R0.4 CSCOCCNC=O 06cab0f55d10d488e369b65237bc7019 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.4 CSCOCCOC=O 6b8870cbaaae325b360a7cd8be5fab08 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.4 N#CCCCNCC=O d854d0cd92fb97dc75a49fe1b07d6ea0 [0,2,0,0,0,0|1,0,1]=4 587 B8R0.4 N#CCCCOCC=O 5021bfa282317572b50730c05559236b [0,2,0,0,0,0|1,0,1]=4 588 B8R0.4 N#CCCNCCC=O 9cc2d29cdddc221cdc2d9562c603ab42 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.4 N#CCCOCCC=O 7ec41fdd2ff1ba3ed3a0b9e19f3d2454 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.4 NOCCNCCC=O a28664bdd7f1423388d38847fe6fa46f [0,2,0,0,0,0|1,0,1]=4 591 B8R0.4 O=C/C=C/COCC=O 01dab094aad874d8c465dab629dd0e4d [0,2,0,0,0,0|1,0,1]=4 592 B8R0.4 O=C/C=C/COCCF 8b3ecdcae3ced2a7cbe5cc5356a25a84 [0,2,0,0,0,0|0,0,2]=4 593 B8R0.4 O=C/C=C/COCCS c79988ae7800ad8f8ff2a528a56e3d57 [0,2,0,0,0,0|0,0,2]=4 594 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [0,2,0,0,0,0|0,0,2]=4 595 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [0,2,0,0,0,0|0,0,2]=4 596 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [0,2,0,0,0,0|0,0,2]=4 597 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [0,2,0,0,0,0|0,0,2]=4 598 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,2,0,0,0,0|0,0,2]=4 599 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [0,2,0,0,0,0|0,0,2]=4 600 B8R0.4 O=CCCCOCC=O a3d7179e2fd1cae25f7f53e552046696 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [0,2,0,0,0,0|0,0,2]=4 602 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [0,2,0,0,0,0|0,0,2]=4 603 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,2,0,0,0,0|0,0,2]=4 604 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,2,0,0,0,0|0,0,2]=4 605 B8R0.4 O=CCCOCCC=O 9ddac43159e400089a6db60f04bc736c [0,2,0,0,0,0|1,0,1]=4 606 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [0,2,0,0,0,0|0,0,2]=4 607 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [0,2,0,0,0,0|0,0,2]=4 608 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,2,0,0,0,0|0,0,2]=4 609 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,2,0,0,0,0|0,0,2]=4 610 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,2,0,0,0,0|0,0,2]=4 611 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,2,0,0,0,0|0,0,2]=4 612 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,2,0,0,0,0|0,0,2]=4 613 B8R0.4 O=CCOCCOCF bfda5f83f4865dfb775a71a596865b83 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [0,2,0,0,0,0|0,0,2]=4 615 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,2,0,0,0,0|0,0,2]=4 616 B8R0.4 O=CNCCOCCF c8a5c0eacdcd1d316a424c4005d58ef9 [0,2,0,0,0,0|1,0,1]=4 617 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,2,0,0,0,0|1,0,1]=4 618 B8R0.4 O=CNCCOCCS fd3b3090b4eefe81cd9992494316f59f [0,2,0,0,0,0|1,0,1]=4 619 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.4 O=COCCOCCF 3ac9afe53341268fdfe07221ba11eb92 [0,2,0,0,0,0|1,0,1]=4 621 B8R0.4 O=COCCOCCS e57473f45057007c5c8548c766fce976 [0,2,0,0,0,0|1,0,1]=4 622 B8R0.6 C#CC(C)NCCC=O b9c5b6ba8cfb4703ce184973d7d00c34 [0,2,0,0,0,0|1,0,1]=4 623 B8R0.6 C#CC(C)OCCC=O b4f26efb44146120dac4c2f499518b75 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.6 C#C[C@@H](C)NCCC=O b812c862625c4e6478a179cd48b74fa0 [0,2,0,0,0,0|1,0,1]=4 625 B8R0.6 C#C[C@@H](C)OCCC=O 1b5d14ca063cbe7e9022b4c05ac12aee [0,2,0,0,0,0|1,0,1]=4 626 B8R0.6 C#C[C@H](C)NCCC=O 60f4e36e697fd4ebabd9745a90d09b82 [0,2,0,0,0,0|1,0,1]=4 627 B8R0.6 C#C[C@H](C)OCCC=O 69494d0b919c0bc0fbbc271ade219f3c [0,2,0,0,0,0|1,0,1]=4 628 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [0,2,0,0,0,0|0,0,2]=4 629 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [0,2,0,0,0,0|0,0,2]=4 630 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [0,2,0,0,0,0|0,0,2]=4 631 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [0,2,0,0,0,0|0,0,2]=4 632 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,2,0,0,0,0|1,0,1]=4 634 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,2,0,0,0,0|1,0,1]=4 635 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,2,0,0,0,0|1,0,1]=4 636 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.6 CC(C#N)CNCC=O 07dd87324302dc639b7e40a71a6d2b89 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.6 CC(C#N)COCC=O bdc1cb68eac2034044d1af91bed9168f [0,2,0,0,0,0|1,0,1]=4 640 B8R0.6 CC(C#N)NCCC=O 17f5eafdd4ffc04728989125a0e2f64a [0,2,0,0,0,0|1,0,1]=4 641 B8R0.6 CC(C#N)OCCC=O 99235743f38a0ed59261f8b08a8ebe83 [0,2,0,0,0,0|1,0,1]=4 642 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,2,0,0,0,0|1,0,1]=4 645 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,2,0,0,0,0|1,0,1]=4 646 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,2,0,0,0,0|1,0,1]=4 648 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,2,0,0,0,0|1,0,1]=4 649 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,2,0,0,0,0|1,0,1]=4 650 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.6 CC/C=C/CN(C)CC bc9391756a9e8870e2f8e1cea97c64ab [0,2,0,0,0,0|1,0,1]=4 652 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.6 CC=CCNC(C)C=O 91835a46141d208cf4a38dbda5acfa3b [0,2,0,0,0,0|0,0,2]=4 654 B8R0.6 CC=CCN[C@H](C)C=O 3de25320dcc5b60b7ab82c87a4cf69d7 [0,2,0,0,0,0|0,0,2]=4 655 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [0,2,0,0,0,0|0,0,2]=4 656 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [0,2,0,0,0,0|0,0,2]=4 657 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,2,0,0,0,0|0,0,1]=3 658 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,2,0,0,0,0|0,0,2]=4 659 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,2,0,0,0,0|0,0,2]=4 660 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,2,0,0,0,0|0,0,2]=4 661 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,2,0,0,0,0|0,0,2]=4 662 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,2,0,0,0,0|0,0,2]=4 663 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,2,0,0,0,0|0,0,2]=4 664 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,2,0,0,0,0|0,0,2]=4 665 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,2,0,0,0,0|0,0,2]=4 666 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,2,0,0,0,0|0,0,2]=4 667 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,2,0,0,0,0|0,0,2]=4 668 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,2,0,0,0,0|0,0,2]=4 669 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|1,0,1]=4 670 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,2,0,0,0,0|1,0,1]=4 672 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|1,0,1]=4 673 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|1,0,1]=4 674 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|1,0,1]=4 675 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|1,0,1]=4 676 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,2,0,0,0,0|0,0,2]=4 678 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,2,0,0,0,0|1,0,1]=4 680 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,2,0,0,0,0|1,0,1]=4 685 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,2,0,0,0,0|0,0,2]=4 687 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,2,0,0,0,0|0,0,2]=4 688 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,2,0,0,0,0|0,0,2]=4 689 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,2,0,0,0,0|0,0,2]=4 690 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,2,0,0,0,0|0,0,2]=4 691 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,2,0,0,0,0|0,0,2]=4 692 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,2,0,0,0,0|0,0,2]=4 693 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,2,0,0,0,0|1,0,1]=4 698 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,2,0,0,0,0|1,0,1]=4 699 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,2,0,0,0,0|1,0,1]=4 700 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,2,0,0,0,0|1,0,1]=4 701 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,2,0,0,0,0|1,0,1]=4 702 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,2,0,0,0,0|1,0,1]=4 703 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,2,0,0,0,0|1,0,1]=4 709 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|1,0,1]=4 715 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,2,0,0,0,0|1,0,1]=4 721 B8R0.6 O=CCNCC(Br)CBr f8b4628b874c00ea67f5b1ea31294bcb [0,2,0,0,0,0|1,0,1]=4 722 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,2,0,0,0,0|1,0,1]=4 723 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,2,0,0,0,0|1,0,1]=4 724 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,2,0,0,0,0|1,0,1]=4 727 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.6 O=CCOCC(Br)CBr aae332e0e58a483c7a378575c78ea8c6 [0,2,0,0,0,0|1,0,1]=4 729 B8R0.6 O=CCOCC(Cl)CCl 6c5deed46908ce8b01b3167bdc1c4832 [0,2,0,0,0,0|1,0,1]=4 730 B8R0.6 O=CCOCC(S)CS bd94fe95bf66dc42f5eb22995ef59c1b [0,2,0,0,0,0|1,0,1]=4 731 B8R0.7 C/C(=C/COCC=O)/Cl 1242a36c899156e7f2fba7315ce08cf0 [0,2,0,0,0,0|0,0,2]=4 732 B8R0.7 C/C(=C/COCC=O)/I aaa33a52c17768e2cade6c56d9089cb8 [0,2,0,0,0,0|0,0,2]=4 733 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,2,0,0,0,0|0,0,2]=4 734 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,2,0,0,0,0|0,0,2]=4 735 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,2,0,0,0,0|0,0,2]=4 736 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,2,0,0,0,0|0,0,2]=4 737 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,2,0,0,0,0|0,0,2]=4 738 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,2,0,0,0,0|0,0,2]=4 739 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,2,0,0,0,0|0,0,2]=4 740 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,2,0,0,0,0|0,0,2]=4 741 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,2,0,0,0,0|0,0,2]=4 742 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,2,0,0,0,0|0,0,2]=4 744 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,2,0,0,0,0|0,0,2]=4 745 B8R0.7 C=C(C)CCNCC=O 4c3ba9587f8532929abf485727b781bd [0,2,0,0,0,0|1,0,1]=4 746 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,2,0,0,0,0|1,0,1]=4 747 B8R0.7 C=C(C)CNCCC=O 311dfeb8205d8e8cbdd8287713a6c3e0 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.7 C=C(C)COCCC=O 42d5e99ccfec788cebe16494c41e8b9c [0,2,0,0,0,0|1,0,1]=4 749 B8R0.7 CC(=CCNCC=O)C 3064b3a277f78689989dd384c9ba4954 [0,2,0,0,0,0|0,0,2]=4 750 B8R0.7 CC(=CCOCC=O)C 4ab5a59373408a34b4481ca370ab3cf9 [0,2,0,0,0,0|0,0,2]=4 751 B8R0.7 CC(=CCOCC=O)I 2ac83cd845f1ff2fdd354fa23b1e9ba4 [0,2,0,0,0,0|0,0,2]=4 752 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|1,0,1]=4 753 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|1,0,1]=4 755 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|1,0,1]=4 756 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|1,0,1]=4 757 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,2,0,0,0,0|1,0,1]=4 758 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,2,0,0,0,0|1,0,1]=4 762 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,2,0,0,0,0|1,0,1]=4 764 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,2,0,0,0,0|1,0,1]=4 765 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,2,0,0,0,0|1,0,1]=4 767 B8R0.7 CC(C)/C=C/CNC#N 662a7772478329bbde8a528c9f4974cd [0,2,0,0,0,0|1,0,1]=4 768 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [0,2,0,0,0,0|0,0,2]=4 769 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,2,0,0,0,0|0,0,2]=4 770 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,2,0,0,0,0|0,0,2]=4 771 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,2,0,0,0,0|0,0,2]=4 772 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,2,0,0,0,0|0,0,2]=4 773 B8R0.7 CC(C)OC/C=C/C=O 4e4160efe718f5443229ce2fbcf01269 [0,2,0,0,0,0|0,0,2]=4 774 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [0,2,0,0,0,0|0,0,2]=4 775 B8R0.7 CC(C)OCCNC=O 9db582d0158adc28dc148f1bd6556868 [0,2,0,0,0,0|1,0,1]=4 776 B8R0.7 CC(C)OCCOC=O 1a56f018311ee77835abf65d4ff13081 [0,2,0,0,0,0|1,0,1]=4 777 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [0,2,0,0,0,0|0,0,2]=4 778 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,2,0,0,0,0|0,0,2]=4 779 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,2,0,0,0,0|0,0,2]=4 780 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [0,2,0,0,0,0|0,0,2]=4 781 B8R0.7 CC/C=C/COC(C)C d67b04cdb3ee857cf285217420b83c9a [0,2,0,0,0,0|1,0,1]=4 782 B8R0.7 CC/C=C\COC(C)C 1eaca156f92510db32152c3a8502c92d [0,2,0,0,0,0|1,0,1]=4 783 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,2,0,0,0,0|0,0,2]=4 784 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,2,0,0,0,0|0,0,2]=4 785 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,2,0,0,0,0|0,0,2]=4 786 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,2,0,0,0,0|0,0,2]=4 787 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,2,0,0,0,0|0,0,2]=4 788 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,2,0,0,0,0|0,0,2]=4 789 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,2,0,0,0,0|0,0,2]=4 790 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|0,0,2]=4 791 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,2,0,0,0,0|0,0,2]=4 792 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,2,0,0,0,0|0,0,2]=4 793 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,2,0,0,0,0|0,0,2]=4 794 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|0,0,2]=4 795 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,2,0,0,0,0|0,0,2]=4 796 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|0,0,2]=4 797 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,2,0,0,0,0|1,0,1]=4 799 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,2,0,0,0,0|0,0,2]=4 800 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,2,0,0,0,0|0,0,2]=4 801 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|0,0,2]=4 802 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,2,0,0,0,0|1,0,1]=4 803 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,2,0,0,0,0|1,0,1]=4 804 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,2,0,0,0,0|1,0,1]=4 805 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,2,0,0,0,0|1,0,1]=4 806 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,2,0,0,0,0|0,0,2]=4 807 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,2,0,0,0,0|0,0,2]=4 808 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,2,0,0,0,0|0,0,2]=4 809 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|0,0,2]=4 810 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,2,0,0,0,0|0,0,2]=4 812 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,2,0,0,0,0|0,0,2]=4 813 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,2,0,0,0,0|0,0,2]=4 814 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,2,0,0,0,0|0,0,2]=4 815 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,2,0,0,0,0|1,0,1]=4 816 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,2,0,0,0,0|1,0,1]=4 817 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,2,0,0,0,0|1,0,1]=4 818 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,2,0,0,0,0|1,0,1]=4 819 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,2,0,0,0,0|1,0,1]=4 821 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,2,0,0,0,0|1,0,1]=4 822 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,2,0,0,0,0|1,0,1]=4 823 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,2,0,0,0,0|1,0,1]=4 824 B8R0.7 CN(C)CCNCC=O 29f095735c40145ed9940de03c146b31 [0,2,0,0,0,0|1,0,1]=4 825 B8R0.7 CN(C)CCOCC=O f2f32f3186f4b25325b639bd2505a675 [0,2,0,0,0,0|1,0,1]=4 826 B8R0.7 CN(C)COCCC=O a90c5f93b3add179fffb905e406fd25f [0,2,0,0,0,0|1,0,1]=4 827 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|1,0,1]=4 828 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|1,0,1]=4 830 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,2,0,0,0,0|1,0,1]=4 831 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,2,0,0,0,0|1,0,1]=4 832 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,2,0,0,0,0|1,0,1]=4 834 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|1,0,1]=4 835 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,2,0,0,0,0|1,0,1]=4 837 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,2,0,0,0,0|1,0,1]=4 838 B8R0.7 CS(=O)CCNCC=O 8c3be09abac30b1ba1881382c982061c [0,2,0,0,0,0|1,0,1]=4 839 B8R0.7 CS(=O)CCOCC=O 29eecdac67755e86d2be2b2f45a9b6a4 [0,2,0,0,0,0|1,0,1]=4 840 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|1,0,1]=4 841 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,2,0,0,0,0|1,0,1]=4 842 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|1,0,1]=4 843 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|1,0,1]=4 844 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,2,0,0,0,0|1,0,1]=4 845 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,2,0,0,0,0|1,0,1]=4 847 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|1,0,1]=4 848 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|1,0,1]=4 849 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,2,0,0,0,0|1,0,1]=4 850 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,2,0,0,0,0|1,0,1]=4 851 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [0,2,0,0,0,0|0,0,2]=4 852 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,2,0,0,0,0|0,0,2]=4 853 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,2,0,0,0,0|0,0,2]=4 854 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [0,2,0,0,0,0|0,0,2]=4 855 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,2,0,0,0,0|0,0,2]=4 856 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,2,0,0,0,0|0,0,2]=4 857 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,2,0,0,0,0|1,0,1]=4 858 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,2,0,0,0,0|1,0,1]=4 859 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|1,0,1]=4 861 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,2,0,0,0,0|1,0,1]=4 862 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,2,0,0,0,0|1,0,1]=4 864 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,2,0,0,0,0|1,0,1]=4 865 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,2,0,0,0,0|1,0,1]=4 866 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|1,0,1]=4 867 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,2,0,0,0,0|1,0,1]=4 868 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,2,0,0,0,0|1,0,1]=4 870 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,2,0,0,0,0|1,0,1]=4 872 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,2,0,0,0,0|1,0,1]=4 873 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|1,0,1]=4 874 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,2,0,0,0,0|1,0,1]=4 875 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,2,0,0,0,0|1,0,1]=4 877 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|1,0,1]=4 880 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,2,0,0,0,0|1,0,1]=4 881 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.7 O=CCCNCC(F)F 00aa3292125883dcbd5abfb2aba15616 [0,2,0,0,0,0|1,0,1]=4 884 B8R0.7 O=CCCOCC(F)F 3e9e6e81048071f99b0010d81f0f3255 [0,2,0,0,0,0|1,0,1]=4 885 B8R0.7 O=CCNCCC(F)F 9d1172aa9d99b0c7e63054f3e9b872fa [0,2,0,0,0,0|1,0,1]=4 886 B8R0.7 O=CCOCCC(F)F f9017dd3628f25b685f6611fcf21a34d [0,2,0,0,0,0|1,0,1]=4 887 B8R0.3 C=CCC(=O)N(C)CC f1b04e365d34b887e43935a62308491d [0,2,0,0,0,0|2,0,0]=4 888 B8R0.3 C=CCN(C)C(=O)CC 3bb2f9eb0189cead2c974a4fe74c9568 [0,2,0,0,0,0|2,0,0]=4 889 B8R0.3 CCC(C)N(C)CC=O 842637d179d388d97d4751c027c4a536 [0,2,0,0,0,0|1,0,1]=4 890 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [0,2,0,0,0,0|1,0,1]=4 891 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [0,2,0,0,0,0|1,0,1]=4 892 B8R0.3 CCN(C)C(=O)CC=O b54fcccc9e3ee76ebae8e137ce96a008 [0,2,0,0,0,0|1,0,0]=3 893 B8R0.8 CC(C)C(C)NCC=O 7480596882376427695ab906c9a7bfb0 [0,2,0,0,0,0|1,0,1]=4 894 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.8 CC(C)N(C)CCC=O 35a1a35e01b1c9ac6c32f45a18f937cb [0,2,0,0,0,0|1,0,1]=4 896 B8R0.8 CC(C)[C@@H](C)NCC=O fe4cca6e9187eefae56d7c7e9b333cad [0,2,0,0,0,0|1,0,1]=4 897 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,2,0,0,0,0|1,0,1]=4 898 B8R0.8 CC(C)[C@H](C)NCC=O b91fe17b3c92a1482d1cf7254f00a408 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,2,0,0,0,0|1,0,1]=4 900 B8R0.8 CC(O)C(C)NCC=O e305fe128f0a78b8ad0315156373b87a [0,2,0,0,0,0|1,0,1]=4 901 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,2,0,0,0,0|1,0,1]=4 902 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|1,0,1]=4 903 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|1,0,1]=4 904 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|1,0,1]=4 905 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,2,0,0,0,0|1,0,1]=4 906 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|1,0,1]=4 907 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|1,0,1]=4 908 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|1,0,1]=4 909 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|1,0,1]=4 910 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|1,0,1]=4 911 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|1,0,1]=4 912 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|1,0,1]=4 913 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|1,0,1]=4 914 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,2,0,0,0,0|1,0,1]=4 915 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|1,0,1]=4 916 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|1,0,1]=4 918 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|1,0,1]=4 919 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|1,0,1]=4 920 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,2,0,0,0,0|1,0,1]=4 921 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,2,0,0,0,0|1,0,1]=4 922 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,2,0,0,0,0|1,0,1]=4 924 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|1,0,1]=4 925 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,2,0,0,0,0|1,0,1]=4 926 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|1,0,1]=4 927 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|1,0,1]=4 928 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|1,0,1]=4 929 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|1,0,1]=4 930 B8R0.9 C=C(Br)CNC(=O)CC c87421a176840d2907d7ee2f29f8c8b6 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,2,0,0,0,0|2,0,0]=4 932 B8R0.9 CC(=O)CNC(=O)CF 51fe56aa9d240d573ecbdb68032eba65 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.9 CC(=O)CNC(=O)CO d375a24b35361625580ca34c6266f702 [0,2,0,0,0,0|2,0,0]=4 934 B8R0.9 CC(=O)CNC(=O)CS 5d679f8f3bae9d6c5d53fb6156c809ab [0,2,0,0,0,0|2,0,0]=4 935 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,2,0,0,0,0|1,0,1]=4 936 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,2,0,0,0,0|1,0,1]=4 937 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,2,0,0,0,0|1,0,1]=4 938 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,2,0,0,0,0|1,0,1]=4 939 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [0,2,0,0,0,0|1,0,1]=4 940 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [0,2,0,0,0,0|1,0,1]=4 941 B8R0.9 CC(C=O)OC[C@@H](C)F 44348d98ecea104d30821f34423bd4e0 [0,2,0,0,0,0|1,0,1]=4 942 B8R0.9 CC(C=O)OC[C@H](C)F 9637178c90bdbe6a1061955c6d3c749b [0,2,0,0,0,0|1,0,1]=4 943 B8R0.9 CC(F)COC(C)C=O a88f9eb602b828f938892defccbfe947 [0,2,0,0,0,0|1,0,1]=4 944 B8R0.9 CC(F)CO[C@H](C)C=O ab2b879912e041805a15c42eb98ff36e [0,2,0,0,0,0|1,0,1]=4 945 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [0,2,0,0,0,0|1,0,1]=4 946 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [0,2,0,0,0,0|1,0,1]=4 947 B8R0.9 CC(S)COC(C)C=O 3be1d5c17e9ab7f7a6674fa02b1f8eb9 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.9 CC(S)CO[C@H](C)C=O 6171e06cfb5a5db48bbba1b7f4375842 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,2,0,0,0,0|1,0,0]=3 950 B8R0.9 CCC(=O)NCC(=O)N 07cfd3edf39ace2eb27c9b7f36ff92b5 [0,2,0,0,0,0|1,0,0]=3 951 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|1,0,1]=4 952 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|1,0,1]=4 953 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|1,0,1]=4 954 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|1,0,1]=4 955 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|1,0,1]=4 956 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|1,0,1]=4 957 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,2,0,0,0,0|1,0,1]=4 958 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,2,0,0,0,0|1,0,1]=4 959 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|1,0,1]=4 961 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|1,0,1]=4 964 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|1,0,1]=4 965 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|1,0,1]=4 967 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|1,0,1]=4 968 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.9 C[C@H](C=O)OC[C@@H](C)F 1f5893c2e9eac3fefa5fe404e93fe70a [0,2,0,0,0,0|1,0,1]=4 970 B8R0.9 C[C@H](F)CO[C@H](C)C=O 02995616d1e99566d5726c66b80d922d [0,2,0,0,0,0|1,0,1]=4 971 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [0,2,0,0,0,0|1,0,1]=4 972 B8R0.9 NC(=O)CNC(=O)CF db593d89e7670a005c774ca2f8374dfb [0,2,0,0,0,0|2,0,0]=4 973 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,2,0,0,0,0|2,0,0]=4 974 B8R0.9 NC(=O)CNC(=O)CS 6e683197f6fdcf4c8284917873578464 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.11 C#CC(CC)OCC=O 6fefb61edd2e8e2475e58f9b91cf6195 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.11 CCC(C#N)OCC=O 251eab7b5166001569a0759e3e518cd8 [0,2,0,0,0,0|1,0,1]=4 978 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,2,0,0,0,0|1,0,1]=4 979 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,2,0,0,0,0|1,0,1]=4 981 B8R0.11 CCCNC(C#N)C=O bb6eeeeb0f4e88a5ae86d21120ed4af3 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.11 CCCNC(C=O)C=O 61c64ea3c5c386d29c1c97169c33ddfe [0,2,0,0,0,0|1,0,1]=4 983 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.11 CCCOC(C=O)C=O 07af7786a553a96d7cd2f6465c693e9f [0,2,0,0,0,0|1,0,1]=4 985 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,2,0,0,0,0|1,0,1]=4 987 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,2,0,0,0,0|1,0,1]=4 988 B8R0.19 C=CC(C)NC(=O)CC 839432ec7d3f0e80c7881e3c8ea6f7fd [0,2,0,0,0,0|2,0,0]=4 989 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,2,0,0,0,0|1,0,1]=4 992 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,2,0,0,0,0|1,0,1]=4 996 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,2,0,0,0,0|1,0,1]=4 998 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.25 CCC(C)(C)NCC=O aa9ffe26ec7f03a9fb85bbb0f3a65039 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.25 CCOCC(C)(C)C=O afc3613500561350cd2dee2c25c83151 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.5 CC(C)CN(C)CC=O 59dafc928f01f7d2bba86fd3699f3b41 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.5 CC(O)CN(C)CC=O de7f5657d95f25cf3dc2f58b768af66b [0,2,0,0,0,0|1,0,1]=4 1005 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|1,0,1]=4 1007 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|1,0,1]=4 1010 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|1,0,1]=4 1011 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.5 C[C@H](O)CN(C)CC=O 1ad8d34f6cccdcc35daf414f3197a578 [0,2,0,0,0,0|1,0,1]=4 1015 B8R0.21 CC(C)(Br)COCC=O 0c1d7c5166ed98b5f925ae9d138c137a [0,2,0,0,0,0|1,0,1]=4 1016 B8R0.21 CC(C)(C)CNCC=O 3ad1cf51e607a6beac30c83baeb36c0f [0,2,0,0,0,0|1,0,1]=4 1017 B8R0.21 CC(C)(C)COCC=O 452032ec8ec1169c65301506a57f3400 [0,2,0,0,0,0|1,0,1]=4 1018 B8R0.21 CC(C)(C)NCCC=O 55ce68401173f98bc7370dc4d84bf683 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.21 CC(C)(F)COCC=O 96a4f5d42c2e2aa743757d961ea002d5 [0,2,0,0,0,0|1,0,1]=4 1020 B8R0.21 CC(C)(O)CNCC=O 0b6f9a66e3da10f9fae74e8313e10a67 [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.21 CC(C)(S)COCC=O 355fa4dd8d31fd881acfc2d6f070cec6 [0,2,0,0,0,0|1,0,1]=4 1022 B8R0.21 CC(F)(F)CNCC=O 5505656e38c31e6e13c2758ae512a321 [0,2,0,0,0,0|1,0,1]=4 1023 B8R0.21 CC(F)(F)COCC=O a6db49236bb9c0551f5dff8c96bf606b [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,2,0,0,0,0|1,0,1]=4 1025 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|1,0,1]=4 1027 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,2,0,0,0,0|1,0,1]=4 1038 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,2,0,0,0,0|1,0,1]=4 1041 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,2,0,0,0,0|1,0,1]=4 1042 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,2,0,0,0,0|1,0,1]=4 1043 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,2,0,0,0,0|1,0,1]=4 1044 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,2,0,0,0,0|1,0,1]=4 1049 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,2,0,0,0,0|1,0,1]=4 1053 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [1,0,0,1,0,0|1,0,1]=4 1054 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|1,0,1]=4 1055 B8R1.2 CCN1CC=CCC1 0dfc6382e2eb71bb203dc8f8c11fc3a7 [0,1,0,1,0,0|1,0,1]=4 1056 B8R1.2 FCN1CC=CCC1 401ca9aa2f450f72776a775dc9b905eb [0,1,0,1,0,0|1,0,1]=4 1057 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,1,0,0|0,0,0]=2 1058 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,1,0,0|1,0,1]=4 1059 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,1,0,0|1,0,1]=4 1060 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,1,0,0|1,0,1]=4 1061 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,1,0,0|1,0,1]=4 1062 B8R1.2 OCN1CC=CCC1 62ece6a5f9d8ed840fd2002de05e26aa [0,1,0,1,0,0|0,0,2]=4 1063 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [0,1,0,1,0,0|0,1,1]=4 1064 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [0,1,0,1,0,0|2,0,0]=4 1065 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [0,1,0,1,0,0|1,1,0]=4 1066 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [0,1,0,1,0,0|2,0,0]=4 1067 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [0,1,0,1,0,0|2,0,0]=4 1068 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,1,0,1,0,0|1,0,1]=4 1069 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [0,1,0,1,0,0|2,0,0]=4 1070 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [0,1,0,1,0,0|0,0,2]=4 1071 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [0,1,0,1,0,0|0,1,1]=4 1072 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [0,1,0,1,0,0|2,0,0]=4 1073 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,1,0,1,0,0|1,0,1]=4 1074 B8R1.8 O=CCN1CC=CC1 c78c62756437a2f5c6a0f43870adfa5c [0,1,0,1,0,0|0,0,2]=4 1075 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,1,0,1,0,0|1,0,1]=4 1076 B8R1.8 O=CNC1CC=CC1 19ecdde8cbf64eb0bd156ac46c4fa7d5 [0,1,0,1,0,0|0,0,2]=4 1077 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,1,0,1,0,0|0,0,2]=4 1078 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,1,0,1,0,0|1,0,1]=4 1079 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,1,0,1,0,0|1,0,1]=4 1080 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,1,0,1,0,0|1,0,1]=4 1081 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,1,0,1,0,0|1,0,1]=4 1082 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,1,0,1,0,0|0,0,2]=4 1083 B8R1.9 O=CCN[C@@H]1C[C@H]1F 1b30ed4a609cd2619bcd787e45fd7f37 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.9 O=CCN[C@H]1C[C@@H]1F a1495db808f21a1e52da1e1d9590d29a [0,1,0,1,0,0|1,0,1]=4 1085 B8R1.9 O=CCN[C@H]1C[C@H]1F 317579e6fc51976ad113a70571610a12 [0,1,0,1,0,0|1,0,1]=4 1086 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,1,0,1,0,0|0,0,2]=4 1087 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,1,0,1,0,0|0,0,2]=4 1088 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,1,0,1,0,0|1,0,1]=4 1089 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,1,0,1,0,0|0,0,2]=4 1090 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,1,0,1,0,0|1,0,1]=4 1091 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,1,0,1,0,0|1,0,1]=4 1092 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,1,0,1,0,0|0,0,2]=4 1093 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,1,0,1,0,0|1,0,1]=4 1094 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,1,0,1,0,0|1,0,1]=4 1095 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,1,0,1,0,0|1,0,1]=4 1096 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,1,0,0|0,0,2]=4 1097 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,1,0,1,0,0|1,0,1]=4 1098 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,1,0,0|0,0,2]=4 1099 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,1,0,0|0,0,2]=4 1100 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,1,0,1,0,0|0,0,2]=4 1101 B8R1.13 CC1OCC1NC=O f9b5eeed2f9956371d02a0585d89de6e [0,1,0,1,0,0|1,0,1]=4 1102 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,1,0,0|1,0,1]=4 1103 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|0,0,2]=4 1104 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,1,0,1,0,0|0,0,2]=4 1105 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,1,0,1,0,0|0,0,2]=4 1106 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,1,0,1,0,0|0,0,2]=4 1107 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,1,0,1,0,0|0,0,2]=4 1108 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [0,1,0,1,0,0|0,0,2]=4 1109 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [0,1,0,1,0,0|0,0,2]=4 1110 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [0,1,0,1,0,0|0,0,2]=4 1111 B8R1.36 O=CNCCN1CC1 188c39e271fc235da7afbcf399854612 [0,1,0,1,0,0|1,0,1]=4 1112 B8R1.38 CC(C=O)N1CCC1 b3b552e7b160cd5acb51c776f72f7634 [0,1,0,1,0,0|1,0,1]=4 1113 B8R1.38 C[C@H](C=O)N1CCC1 92650f4896a859e9500741deb7ae1705 [0,1,0,1,0,0|1,0,1]=4 1114 B8R1.40 CC(C=O)NC1CC1 691e0889ed251bf8aa7c3b68c5df0349 [0,1,0,1,0,0|1,0,1]=4 1115 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [0,1,0,1,0,0|1,0,1]=4 1116 B8R1.40 C[C@H](C=O)NC1CC1 b2dc22049a6d22620bf79363de94a32e [0,1,0,1,0,0|1,0,1]=4 1117 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [0,1,0,1,0,0|1,0,1]=4 1118 B8R1.41 CC1(CC1)NCC=O 789ed2365d3b2b60268410f6763ad79b [0,1,0,1,0,0|1,0,1]=4 1119 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.6 O=CCN1CC(C1)F 7167532f6af44ef8118ab6a0997eb38b [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.6 O=CCN1CC(C1)O 05c491e4c8809ba1f982b958ba6277d0 [0,1,0,1,0,0|1,0,1]=4 1122 B8R1.27 CC1(CN1CC=O)C 079c8663ebf5941900323baa2b372da1 [0,1,0,1,0,0|1,0,1]=4 1123 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|1,0,1]=4 1124 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|1,0,1]=4 1125 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,1,0,1,0,0|1,0,1]=4 1126 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,1,0,1,0,0|1,0,1]=4 1127 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,1,0,1,0,0|1,0,1]=4 1128 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,1,0,1,0,0|1,0,1]=4 1129 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|1,0,1]=4 1130 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,1,0,1,0,0|1,0,1]=4 1131 B8R1.37 CN(CC=O)C1CC1 da61bbfc7021687d89d59d54bd0f05ba [0,1,0,1,0,0|1,0,1]=4