0 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C#CCNCOC 731060b1cc2efa280089844c9f08cb4b [0,0,0,0,0,0|2,1,1]=4 7 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C#CCOCOC 8c9553a6f766e25bc5c8f801bbc89cc1 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C=CCCNC#N 7f6209637e037705b943b176b9fa9994 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,0,0,0,0|4,0,0]=4 20 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,0,0,0,0|3,0,0]=3 21 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,0,0,0,0,0|4,0,0]=4 24 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,0,0,0,0,0|4,0,0]=4 27 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,0,0,0,0|4,0,0]=4 28 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,0,0,0,0,0|4,0,0]=4 29 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,0,0,0,0,0|2,1,0]=3 34 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,0,0,0,0|2,0,0]=2 39 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,0,0,0,0|2,1,1]=4 52 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,0,0,0,0|2,1,1]=4 53 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,0,0,0,0|2,0,1]=3 54 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,0,0,0,0|3,0,1]=4 57 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,0,0,0,0|2,1,1]=4 59 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,0,0,0,0|2,1,1]=4 60 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,0,0,0,0|2,0,1]=3 61 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,0,0,0,0|2,1,1]=4 65 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,0,0,0,0|2,0,0]=2 71 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,0,0,0,0|3,0,1]=4 72 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,0,0,0,0|2,1,1]=4 73 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,0,0,0,0|2,1,1]=4 74 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,0,0,0,0|2,0,1]=3 75 B6R0.6 COCCNC#N c7f53ce2573b022a6239a28d1a5e471a [0,0,0,0,0,0|2,1,1]=4 76 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,0,0,0,0,0|1,1,0]=2 77 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [0,0,0,0,0,0|2,1,1]=4 78 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,0,0,0,0,0|1,1,2]=4 79 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [0,0,0,0,0,0|2,1,1]=4 80 B6R0.6 COCNCC#N d7534ed2d124b74839dfe7c51cb3eb01 [0,0,0,0,0,0|2,1,1]=4 81 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,0,0,0,0,0|2,1,1]=4 82 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,0,0,0,0,0|2,1,1]=4 83 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,0,0,0,0,0|2,1,1]=4 84 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,0,0,0,0,0|1,1,2]=4 85 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,0,0,0,0,0|1,2,1]=4 86 B6R0.6 COCOCC#N 764be25d1fe6d7509c53a5289ba9b4c6 [0,0,0,0,0,0|2,1,1]=4 87 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,0,0,0,0|1,1,0]=2 88 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,0,0,0,0,0|2,1,1]=4 89 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,0,0,0,0,0|1,2,1]=4 90 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [0,0,0,0,0,0|3,1,0]=4 91 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,0,0,0,0|1,0,0]=1 94 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,0,0,0,0,0|2,0,1]=3 95 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,0,0,0,0,0|1,0,2]=3 96 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,0,0,0,0,0|2,0,1]=3 97 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [0,0,0,0,0,0|2,0,1]=3 98 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,0,0,0,0,0|2,0,1]=3 99 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,0,0,0,0,0|2,0,1]=3 100 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,0,0,0,0,0|2,0,1]=3 101 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,0,0,0,0,0|1,0,2]=3 102 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,0,0,0,0,0|1,1,1]=3 103 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [0,0,0,0,0,0|2,0,1]=3 104 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,0,0,0,0,0|1,1,1]=3 106 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,0,0,0,0,0|3,0,0]=3 107 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,0,0,0,0,0|3,0,0]=3 109 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,0,0,0,0,0|2,1,0]=3 111 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,0,0,0,0,0|3,0,0]=3 112 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,0,0,0,0|3,0,0]=3 113 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,0,0,0,0|3,0,0]=3 114 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,0,0,0,0|3,0,0]=3 115 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,0,0,0,0|3,0,0]=3 116 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,0,0,0,0|3,0,0]=3 117 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,0,0,0,0|3,0,0]=3 118 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,0,0,0,0|3,0,0]=3 119 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,0,0,0,0|3,0,0]=3 121 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|2,0,1]=4 122 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|1,0,0]=2 125 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|1,0,2]=4 128 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|2,0,1]=4 129 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|1,1,1]=4 136 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,1,1]=4 139 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|1,1,1]=4 140 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,0,0,0,0,0|2,1,0]=4 141 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [1,0,0,0,0,0|2,0,1]=4 142 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,0,0,0,0,0|2,0,1]=4 145 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,0,0,0,0,0|2,0,1]=4 146 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [1,0,0,0,0,0|2,0,1]=4 147 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|2,0,0]=3 148 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|1,1,0]=3 151 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|1,0,0]=2 152 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,0,0,0,0,0|1,0,2]=4 153 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,1,0,0,0,0|1,0,1]=3 154 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,1,0,0,0,0|2,0,1]=4 155 B7R0.1 C#CCCCNCF ee80cfe129267471128699a35e8db818 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.1 C#CCCCNCO a9ed8c717b7ee1e1fd8d7809a5e484b3 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,1,0,0,0,0|1,1,1]=4 158 B7R0.1 C#CCCCOCF e2ca57ff624290ec22bd51b4b60747ec [0,1,0,0,0,0|1,1,1]=4 159 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,1,0,0,0,0|2,0,1]=4 160 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.1 C#CCCNCOC cf9396d670d650e4fa45a4ba8287b654 [0,1,0,0,0,0|1,1,1]=4 163 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [0,1,0,0,0,0|1,0,1]=3 164 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,1,0,0,0,0|2,0,1]=4 165 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,1,0,0,0,0|1,0,1]=3 166 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.1 C#CCCOCOC 36c066d41d26482ed5ee75d0afe8617c [0,1,0,0,0,0|1,1,1]=4 168 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,1,0,0,0,0|1,0,1]=3 171 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.1 C#CCNCCOC 997335a34ef003d48d244a0ddba27e07 [0,1,0,0,0,0|1,1,1]=4 173 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,1,0,0,0,0|1,0,1]=3 174 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,1,0,0,0,0|1,1,1]=4 178 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,0,0,0,0|1,1,1]=4 180 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,1,0,0,0,0|1,1,1]=4 181 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,0,0,0,0|2,0,1]=4 182 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,0,0,0,0|2,0,1]=4 184 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,1,0,0,0,0|1,1,1]=4 185 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,1,0,0,0,0|1,0,1]=3 186 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,1,0,0,0,0|1,0,1]=3 188 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,0,0,0,0|2,0,1]=4 189 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,1,0,0,0,0|1,1,1]=4 190 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,1,0,0,0,0|1,0,1]=3 191 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,1,0,0,0,0|3,0,0]=4 192 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,1,0,0,0,0|2,0,0]=3 197 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,0,0,0,0|1,1,0]=3 198 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,1,0,0,0,0|1,1,0]=3 199 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,1,0,0,0,0|3,0,0]=4 200 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,1,0,0,0,0|1,0,1]=3 202 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,0,0,0,0|3,0,0]=4 203 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,0,0,0,0|3,0,0]=4 207 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,0,0,0,0|1,1,0]=3 209 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,1,0,0,0,0|3,0,0]=4 211 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,1,0,0,0,0|2,0,1]=4 212 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,1,0,0,0,0|1,0,1]=3 213 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,0,0,0,0|2,0,0]=3 214 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,0,0,0,0|3,0,0]=4 216 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,1,0,0,0,0|1,1,0]=3 217 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,0,0,0,0|1,0,0]=2 218 B7R0.1 C=CCNCC#CC 6c02e2f05d85401245227efb2b09dc93 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,1,0,0,0,0|2,0,1]=4 220 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,1,0,0,0,0|3,0,0]=4 221 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,0,0,0,0|2,0,0]=3 222 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,0,0,0,0|3,0,0]=4 224 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,1,0,0,0,0|1,1,0]=3 225 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,1,0,0,0,0|2,1,0]=4 226 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,0,0,0,0|1,0,0]=2 227 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,1,0,0,0,0|2,0,1]=4 228 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,1,0,0,0,0|2,0,1]=4 229 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,1,0,0,0,0|2,0,1]=4 230 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,1,0,0,0,0|2,0,1]=4 231 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,1,0,0,0,0|3,0,0]=4 232 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,1,0,0,0,0|1,0,1]=3 233 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,0,0,0,0|2,0,0]=3 234 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,1,0,0,0,0|3,0,0]=4 235 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,1,0,0,0,0|3,0,0]=4 236 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,1,0,0,0,0|1,1,0]=3 237 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,1,0,0,0,0|1,0,0]=2 238 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,1,0,0,0,0|1,1,1]=4 239 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,1,0,0,0,0|3,0,0]=4 240 B7R0.1 C=COCCNCF 3ba58790b2f94dae0082c66f02d661b4 [0,1,0,0,0,0|3,0,0]=4 241 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [0,1,0,0,0,0|3,0,0]=4 242 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,1,0,0,0,0|2,1,0]=4 243 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [0,1,0,0,0,0|2,1,0]=4 244 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,1,0,0,0,0|1,0,1]=3 245 B7R0.1 CC#CCNCSC 41e4339950850a850e6af84422ffa207 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,1,0,0,0,0|1,0,1]=3 249 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,1,0,0,0,0|1,1,1]=4 251 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,1,0,0,0,0|1,0,1]=3 252 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,1,0,0,0,0|1,0,1]=3 253 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,1,0,0,0,0|1,1,1]=4 255 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,1,0,0,0,0|1,0,1]=3 256 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,1,0,0,0,0|2,0,1]=4 257 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,0,0,0,0|1,0,0]=2 258 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,0,0,0,0|1,1,1]=4 262 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,0,0,0,0|1,1,1]=4 263 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,0,0,0,0|1,0,0]=2 265 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,1,0,0,0,0|1,0,2]=4 270 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,1,0,0,0,0|1,1,1]=4 271 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,0,0,0,0|1,1,1]=4 272 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,1,0,0,0,0|2,0,1]=4 274 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,0,0,0,0|1,0,0]=2 275 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,0,0,0,0|2,0,1]=4 276 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,0,0,0,0|1,1,1]=4 278 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,0,0,0,0|1,1,1]=4 279 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,1,0,0,0,0|2,0,1]=4 281 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,0,0,0,0|1,0,2]=4 283 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,0,0,0,0|1,0,0]=2 285 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,0,0,0,0|2,0,1]=4 286 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,0,0,0,0|2,0,1]=4 287 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,0,0,0,0|1,0,2]=4 288 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,0,0,0,0|1,1,1]=4 289 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,0,0,0,0|1,1,1]=4 290 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,1,0,0,0,0|3,0,0]=4 291 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,0,0,0,0|1,0,1]=3 292 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,1,0,0,0,0|2,0,1]=4 293 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,1,0,0,0,0|2,0,1]=4 294 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,0,0,0,0|2,0,1]=4 296 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,0,0,0,0|1,0,0]=2 297 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,0,0,0,0|1,1,1]=4 299 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,0,0,0,0|1,1,1]=4 300 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,0,0,0,0|1,0,1]=3 301 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,1,0,0,0,0|2,0,1]=4 303 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,1,0,0,0,0|1,0,2]=4 304 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,1,0,0,0,0|1,1,1]=4 305 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,0,0,0,0|1,1,1]=4 306 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,1,0,0,0,0|1,0,1]=3 307 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,1,0,0,0,0|0,1,2]=4 309 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,1,0,0,0,0|1,1,1]=4 310 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,0,0,0,0|0,1,0]=2 311 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,0,0,0,0|1,1,1]=4 312 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,0,0,0,0|0,2,1]=4 313 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,0,0,0,0|1,1,1]=4 314 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,0,0,0,0|1,0,1]=3 315 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,1,0,0,0,0|1,1,0]=3 316 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,1,0,0,0,0|1,1,0]=3 317 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,1,0,0,0,0|2,0,1]=4 318 B7R0.1 CCSCCNC#N 146f8420c51eba76d3764a00770c7215 [0,1,0,0,0,0|2,0,1]=4 319 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,1,0,0,0,0|1,0,0]=2 320 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,1,0,0,0,0|1,0,2]=4 322 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,1,0,0,0,0|2,0,1]=4 323 B7R0.1 COCCCNC#N 0f6144afc64c8968181a8d95a7f06e48 [0,1,0,0,0,0|1,1,1]=4 324 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,1,0,0,0,0|0,1,0]=2 325 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,1,0,0,0,0|1,1,1]=4 326 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,1,0,0,0,0|0,1,2]=4 327 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,1,0,0,0,0|1,1,1]=4 328 B7R0.1 COCCNCC#N eb0c03abb6091d3cacb87bad68b043b8 [0,1,0,0,0,0|1,1,1]=4 329 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,0,0,0,0|0,1,0]=2 330 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,1,0,0,0,0|1,1,1]=4 331 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,1,0,0,0,0|1,1,1]=4 332 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,1,0,0,0,0|1,1,1]=4 333 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,1,0,0,0,0|0,1,2]=4 334 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,1,0,0,0,0|0,2,1]=4 335 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,1,0,0,0,0|2,1,0]=4 336 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,1,0,0,0,0|1,1,1]=4 338 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,0,0,0,0|0,1,0]=2 339 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,1,0,0,0,0|1,1,1]=4 340 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,1,0,0,0,0|0,2,1]=4 341 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,1,0,0,0,0|2,1,0]=4 342 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,1,0,0,0,0|2,0,0]=3 343 B7R0.1 COCNCCC#N cc2251ff8ea941c024cd02b8a471dad3 [0,1,0,0,0,0|1,1,1]=4 344 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,1,0,0,0,0|1,1,1]=4 345 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,1,0,0,0,0|0,1,2]=4 346 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,1,0,0,0,0|2,1,0]=4 347 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,1,0,0,0,0|2,0,0]=3 348 B7R0.1 COCOC/C=C/Cl 994ae41b4f65c0a98c067e16a7bbebbc [0,1,0,0,0,0|1,1,1]=4 349 B7R0.1 COCOC/C=C\Cl a8345f466233c47094d9b334a81e738d [0,1,0,0,0,0|1,1,1]=4 350 B7R0.1 COCOCC=CCl 9a66c372107792a1368a8939a87e14d7 [0,1,0,0,0,0|1,1,1]=4 351 B7R0.1 COCOCCC#N 27e16b974b5a8cc8e6db8589fb85ef21 [0,1,0,0,0,0|1,1,1]=4 352 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,1,0,0,0,0|0,1,0]=2 353 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,0,0,0,0|1,1,1]=4 354 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,0,0,0,0|0,2,1]=4 355 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [0,1,0,0,0,0|1,0,1]=3 357 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,0,0,0,0|0,0,0]=1 358 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,1,0,0,0,0|1,0,1]=3 359 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,1,0,0,0,0|0,0,2]=3 360 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,1,0,0,0,0|1,0,1]=3 361 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,1,0,0,0,0|1,0,1]=3 362 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,0,0,0,0|0,0,0]=1 363 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,1,0,0,0,0|1,0,1]=3 364 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,1,0,0,0,0|1,0,1]=3 365 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,1,0,0,0,0|1,0,1]=3 366 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,1,0,0,0,0|0,0,2]=3 367 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,1,0,0,0,0|0,1,1]=3 368 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,1,0,0,0,0|1,0,1]=3 370 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,0,0,0,0|0,0,0]=1 371 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,0,0,0,0|0,1,1]=3 373 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,1,0,0,0,0|2,0,0]=3 374 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [0,1,0,0,0,0|1,0,1]=3 375 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,1,0,0,0,0|1,0,1]=3 376 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,1,0,0,0,0|0,0,2]=3 377 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,1,0,0,0,0|2,0,0]=3 378 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.1 CSCOCC#CI 9f660a7c871ae23c41d42172fc52f0ba [0,1,0,0,0,0|1,0,2]=4 380 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,1,0,0,0,0|1,0,1]=3 381 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,1,0,0,0,0|1,0,1]=3 382 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,0,0,0,0|0,0,0]=1 383 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,1,0,0,0,0|1,0,1]=3 384 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,1,0,0,0,0|0,1,1]=3 385 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,1,0,0,0,0|1,1,1]=4 386 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,1,0,0,0,0|1,1,1]=4 388 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,1,0,0,0,0|0,2,1]=4 389 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,1,0,0,0,0|2,0,0]=3 390 B7R0.1 N#CCCCNCF cd2cde5f004bd6525b8fd85e485c94d8 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.1 N#CCCCNCO 5c0d2266f0898fe9160186844f3620ff [0,1,0,0,0,0|2,0,1]=4 392 B7R0.1 N#CCCCOCF 20aba03032603549301f549b721d3f57 [0,1,0,0,0,0|1,1,1]=4 393 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,1,0,0,0,0|2,0,0]=3 394 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,1,0,0,0,0|2,0,0]=3 395 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,1,0,0,0,0|1,0,1]=3 398 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,1,0,0,0,0|1,1,0]=3 399 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,1,0,0,0,0|0,1,2]=4 400 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,1,0,0,0,0|0,1,0]=2 401 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,0,0,0,0|2,0,0]=3 402 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,0,0,0,0|2,0,0]=3 403 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,0,0,0,0|2,0,0]=3 405 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,0,0,0,0|2,0,0]=3 406 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,1,0,0,0,0|2,0,0]=3 407 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,0,0,0,0|2,0,0]=3 408 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,0,0,0,0|2,0,0]=3 409 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,0,0,0,0|2,0,0]=3 410 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,0,0,0,0|2,0,0]=3 411 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.1 O=CCOCC#CI 93cf4705f161321abdff65ea9fb521f4 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,1,0,0,0,0|2,0,0]=3 415 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,1,0,0,0,0|2,0,0]=3 416 B7R0.1 O=CNCC#CCO de36c027e3f97477ee098e50b3b66fc9 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,1,0,0,0,0|2,0,0]=3 418 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,0,0,0,0|2,0,0]=3 419 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,1,0,0,0,0|2,0,0]=3 420 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,1,0,0,0,0|1,1,0]=3 421 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,1,0,0,0,0|1,1,0]=3 422 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,1,0,0,0,0|1,0,2]=4 423 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,1,0,0,0,0|1,0,2]=4 424 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,1,0,0,0,0|1,1,1]=4 426 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,1,0,0,0,0|2,0,1]=4 427 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,1,0,0,0,0|2,0,1]=4 428 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [0,1,0,0,0,0|2,0,1]=4 431 B7R0.3 C#CCNC(C)C=O 8a80a6d3188851c8aa12e1e598927010 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.3 C#CCN[C@H](C)C=O 8faab6e2c8060fcb11bf9cb31dde2a6b [0,1,0,0,0,0|2,0,1]=4 433 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,1,0,0,0,0|2,0,1]=4 435 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,1,0,0,0,0|2,0,1]=4 436 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,1,0,0,0,0|2,0,1]=4 437 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,1,0,0,0,0|2,0,1]=4 439 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,1,0,0,0,0|2,0,1]=4 440 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,1,0,0,0,0|2,0,1]=4 441 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,1,0,0,0,0|2,0,1]=4 442 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|2,0,1]=4 444 B7R0.3 C=C(C=O)OCOC fd2d010df8589efa2d493b57390022d2 [0,1,0,0,0,0|1,1,1]=4 445 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,0,0,0,0|3,0,0]=4 447 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,1,0,0,0,0|2,0,1]=4 448 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,1,0,0,0,0|2,1,0]=4 450 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,0,0,0,0|2,0,0]=3 451 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,0,0,0,0|2,0,1]=4 452 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,1,0,0,0,0|2,1,0]=4 454 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|2,0,0]=3 455 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,1,0,0,0,0|3,0,0]=4 460 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,1,0,0,0,0|3,0,0]=4 462 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,1,0,0,0,0|2,0,1]=4 463 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,1,0,0,0,0|3,0,0]=4 464 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,0,0,0,0|2,0,1]=4 467 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,0,0,0,0|3,0,0]=4 468 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,1,0,0,0,0|2,1,0]=4 469 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|2,0,0]=3 470 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,1,0,0,0,0|3,0,0]=4 471 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [0,1,0,0,0,0|3,0,0]=4 472 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,1,0,0,0,0|3,0,0]=4 473 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,1,0,0,0,0|3,0,0]=4 474 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,1,0,0,0,0|3,0,0]=4 475 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,0,0,0,0|3,0,0]=4 476 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,1,0,0,0,0|3,0,0]=4 481 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,1,0,0,0,0|3,0,0]=4 484 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,1,0,0,0,0|3,0,0]=4 485 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|2,0,1]=4 488 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,1,0,0,0,0|2,0,0]=3 489 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,0,0,0,0|2,0,0]=3 492 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|2,0,1]=4 493 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,0,0,0,0|2,0,0]=3 494 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,0,0,0,0|2,0,0]=3 495 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,0,0,0,0|2,0,0]=3 496 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,0,0,0,0|2,0,0]=3 497 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,1,0,0,0,0|2,0,0]=3 498 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,1,0,0,0,0|2,0,0]=3 500 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,1,0,0,0,0|2,0,0]=3 502 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|2,0,1]=4 503 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,1,0,0,0,0|2,0,0]=3 504 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,1,0,0,0,0|2,0,0]=3 505 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|2,0,1]=4 507 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,1,0,0,0,0|2,0,0]=3 508 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|2,0,1]=4 509 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [0,1,0,0,0,0|3,0,0]=4 510 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,0,0,0,0|3,0,0]=4 511 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,1,0,0,0,0|2,1,0]=4 512 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,1,0,0,0,0|2,0,1]=4 513 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,1,0,0,0,0|1,1,1]=4 514 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,1,0,0,0,0|1,1,0]=3 515 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,0,0,0,0|1,1,0]=3 516 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,0,0,0,0|1,1,0]=3 517 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,1,0,0,0,0|1,1,0]=3 518 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,1,0,0,0,0|1,1,0]=3 519 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,1,0,0,0,0|1,0,0]=2 520 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [0,1,0,0,0,0|2,0,1]=4 521 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,1,0,0,0,0|1,0,2]=4 522 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,1,0,0,0,0|1,0,2]=4 524 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,1,0,0,0,0|1,0,2]=4 525 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,1,0,0,0,0|1,0,2]=4 526 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|1,0,0]=2 527 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,1,0,0,0,0|1,1,1]=4 529 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,1,0,0,0,0|1,1,1]=4 530 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.3 C[C@H](C=O)NCC#N 9b1d30d7284bc89f6f0ba6960b607cac [0,1,0,0,0,0|3,0,0]=4 532 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,1,0,0,0,0|3,0,0]=4 534 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,1,0,0,0,0|3,0,0]=4 535 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,1,0,0,0,0|3,0,0]=4 538 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,1,0,0,0,0|3,0,0]=4 539 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,1,0,0,0,0|3,0,0]=4 541 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,1,0,0,0,0|3,0,0]=4 542 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,1,0,0,0,0|3,0,0]=4 543 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,1,0,0,0,0|3,0,0]=4 547 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,1,0,0,0,0|3,0,0]=4 548 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,1,0,0,0,0|2,0,1]=4 552 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,1,0,0,0,0|2,0,1]=4 553 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,1,0,0,0,0|2,0,1]=4 554 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,1,0,0,0,0|2,0,1]=4 555 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,1,0,0,0,0|2,0,1]=4 556 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,1,0,0,0,0|2,0,1]=4 557 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.4 C=C(Br)CNCC=O e2d5057e5415c014e4eba7dcda8d7077 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,0,0,0,0|3,0,0]=4 560 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [0,1,0,0,0,0|2,1,0]=4 561 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,1,0,0,0,0|2,0,0]=3 562 B7R0.4 C=C(Br)COCC=O 932c0edd4ecfcd86b1a7540357a0c61e [0,1,0,0,0,0|2,0,1]=4 563 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,0,0,0,0|3,0,0]=4 564 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,1,0,0,0,0|2,1,0]=4 565 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,1,0,0,0,0|2,0,0]=3 567 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,0,0,0,0|3,0,0]=4 568 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,0,0,0,0|3,0,0]=4 569 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,1,0,0,0,0|2,0,0]=3 570 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|3,0,0]=4 571 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,1,0,0,0,0|2,1,0]=4 572 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,1,0,0,0,0|2,0,0]=3 574 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|3,0,0]=4 575 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,1,0,0,0,0|2,1,0]=4 576 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,1,0,0,0,0|2,0,0]=3 577 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,0,0,0,0|3,0,0]=4 578 B7R0.4 C=C(Cl)COCC=O a46b3c2e85fcf61c0da6edc2f5657d08 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,1,0,0,0,0|2,1,0]=4 581 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,1,0,0,0,0|2,0,0]=3 582 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,0,0,0,0|3,0,0]=4 583 B7R0.4 C=C(F)COCC=O 991067569a0b8c59acfbfec7abe6c1dd [0,1,0,0,0,0|2,0,1]=4 584 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,0,0,0,0|3,0,0]=4 585 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,1,0,0,0,0|2,1,0]=4 586 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,1,0,0,0,0|2,0,0]=3 587 B7R0.4 C=C(I)COCC=O 9efc69fa4611219ea35bee8334c7e9a5 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,0,0,0,0|3,0,0]=4 589 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,1,0,0,0,0|2,1,0]=4 590 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,1,0,0,0,0|2,0,0]=3 591 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,1,0,0,0,0|3,0,0]=4 593 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,1,0,0,0,0|3,0,0]=4 594 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [0,1,0,0,0,0|3,0,0]=4 595 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,1,0,0,0,0|2,0,1]=4 596 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,1,0,0,0,0|3,0,0]=4 601 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,1,0,0,0,0|3,0,0]=4 602 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [0,1,0,0,0,0|3,0,0]=4 607 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [0,1,0,0,0,0|3,0,0]=4 608 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [0,1,0,0,0,0|3,0,0]=4 609 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [0,1,0,0,0,0|3,0,0]=4 611 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [0,1,0,0,0,0|2,0,1]=4 612 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,1,0,0,0,0|3,0,0]=4 614 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,0,0,0,0|3,0,0]=4 615 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,1,0,0,0,0|3,0,0]=4 616 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,0,0,0,0|2,0,0]=3 617 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|3,0,0]=4 618 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|3,0,0]=4 619 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|3,0,0]=4 620 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,1,0,0,0,0|3,0,0]=4 621 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,0,0,0,0|2,0,0]=3 622 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,0,0,0,0|3,0,0]=4 623 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,0,0,0,0|3,0,0]=4 624 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,1,0,0,0,0|3,0,0]=4 625 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,1,0,0,0,0|2,1,0]=4 628 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,1,0,0,0,0|2,0,0]=3 629 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,1,0,0,0,0|2,0,0]=3 630 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,1,0,0,0,0|2,0,0]=3 631 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,1,0,0,0,0|2,0,0]=3 632 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,1,0,0,0,0|2,0,0]=3 633 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,1,0,0,0,0|2,0,0]=3 634 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,0,0,0,0|2,0,1]=4 637 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|2,0,0]=3 639 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,0,0,0,0|2,0,0]=3 640 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,0,0,0,0|3,0,0]=4 642 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|2,0,0]=3 643 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,0,0,0,0|2,0,0]=3 644 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|2,0,0]=3 645 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,0,0,0,0|2,1,0]=4 646 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,1,0,0,0,0|3,0,0]=4 648 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,0,0,0,0|2,0,0]=3 649 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|2,0,0]=3 650 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,0,0,0,0|2,1,0]=4 651 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,0,0,0,0|3,0,0]=4 652 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|3,0,0]=4 653 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,0,0,0,0|2,0,0]=3 654 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,0,0,0,0|2,0,0]=3 655 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,0,0,0,0|3,0,0]=4 657 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,0,0,0,0|3,0,0]=4 658 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,0,0,0,0|3,0,0]=4 659 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,0,0,0,0|3,0,0]=4 660 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,1,0,0,0,0|1,1,0]=3 662 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,0,0,0,0|1,1,0]=3 663 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,1,0,0,0,0|1,1,0]=3 664 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|1,1,0]=3 665 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,0,0,0,0|1,1,0]=3 666 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,1,0,0,0,0|1,1,0]=3 667 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,0,0,0,0|1,1,0]=3 668 B7R0.4 COCOCC(=S)N ee294cd5168f479d523c3c4651082b74 [0,1,0,0,0,0|1,2,0]=4 669 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,1,0,0,0,0|2,1,0]=4 670 B7R0.4 COCOC[N+](=O)[O-] 54bbc30812908559dc136bad18aef36a [0,1,0,0,0,0|2,1,0]=4 671 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [0,1,0,0,0,0|1,0,1]=3 672 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,0,0,0,0|1,0,0]=2 673 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,1,0,0,0,0|2,0,1]=4 674 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,0,0,0,0|2,0,1]=4 675 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|1,0,0]=2 676 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|1,0,0]=2 677 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|1,0,0]=2 678 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.4 CSCNCC(F)F 7cb9fe23842b0dbd8a2ee023dae4c181 [0,1,0,0,0,0|2,0,1]=4 681 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,0,0,0,0|1,0,2]=4 682 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,0,0,0,0|1,0,2]=4 683 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|1,0,0]=2 684 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|1,0,0]=2 685 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|1,0,0]=2 686 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,1,0,0,0,0|1,1,0]=3 687 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,1,0,0,0,0|2,0,1]=4 688 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,1,0,0,0,0|1,1,1]=4 690 B7R0.4 CSCOCC(F)F f5224cd0f16a5565a48a0766b0edd0b9 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,1,0,0,0,0|2,0,0]=3 692 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,1,0,0,0,0|2,0,1]=4 693 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,1,0,0,0,0|2,0,0]=3 695 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,1,0,0,0,0|2,0,0]=3 696 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,1,0,0,0,0|2,0,0]=3 697 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,1,0,0,0,0|2,0,0]=3 698 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,1,0,0,0,0|2,0,0]=3 699 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,1,0,0,0,0|2,0,0]=3 700 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,1,0,0,0,0|3,0,0]=4 701 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,1,0,0,0,0|3,0,0]=4 702 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,1,0,0,0,0|3,0,0]=4 705 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,1,0,0,0,0|3,0,0]=4 706 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,1,0,0,0,0|3,0,0]=4 707 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,0,0,0,0|3,0,0]=4 708 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,0,0,0,0|3,0,0]=4 709 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,0,0,0,0|3,0,0]=4 710 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,1,0,0,0,0|3,0,0]=4 711 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,0,0,0,0|3,0,0]=4 713 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,0,0,0,0|3,0,0]=4 714 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|3,0,0]=4 715 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,0,0,0,0|3,0,0]=4 716 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,1,0,0,0,0|3,0,0]=4 717 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,0,0,0,0|3,0,0]=4 718 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,0,0,0,0|3,0,0]=4 719 B7R0.4 NC(=S)CCNC=O f6a23fd7dc0dc512f1366bbdac8ed6be [0,1,0,0,0,0|3,0,0]=4 720 B7R0.4 NC(=S)COCC=O df3e15a9d363d0003727879f2aca7634 [0,1,0,0,0,0|3,0,0]=4 721 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,0,0,0,0|3,0,0]=4 722 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|3,0,0]=4 723 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,0,0,0,0|3,0,0]=4 724 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,0,0,0,0|3,0,0]=4 725 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,0,0,0,0|3,0,0]=4 726 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,0,0,0,0|3,0,0]=4 727 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|3,0,0]=4 728 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,0,0,0,0|3,0,0]=4 729 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,0,0,0,0|3,0,0]=4 730 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,0,0,0,0|3,0,0]=4 731 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [0,1,0,0,0,0|3,0,0]=4 733 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,1,0,0,0,0|3,0,0]=4 734 B7R0.4 O=CCOCC(F)F e1093cd74239d1a778019e251c691d5f [0,1,0,0,0,0|3,0,0]=4 735 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [0,1,0,0,0,0|2,0,1]=4 736 B7R0.4 O=CNCCC(F)F 877595b7c20a3f088e215ffd3de33ece [0,1,0,0,0,0|3,0,0]=4 737 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [0,1,0,0,0,0|2,0,1]=4 738 B7R0.7 C#CCN(C)CC=O dff01d702c39ab67a4f96703b4d65557 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [0,1,0,0,0,0|2,0,1]=4 740 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,0,0,0,0|3,0,0]=4 741 B7R0.7 C=CCN(C)CC=O 0a0a0470779380dc482d888ec7270821 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,0,0,0,0|3,0,0]=4 743 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,1,0,0,0,0|2,1,0]=4 744 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,1,0,0,0,0|2,0,0]=3 745 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,0,0,0,0|3,0,0]=4 746 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,0,0,0,0|3,0,0]=4 747 B7R0.7 CC(CC#N)NC=O dfc1f8290024fbf8549fe517f54abe5f [0,1,0,0,0,0|3,0,0]=4 748 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,1,0,0,0,0|3,0,0]=4 749 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,1,0,0,0,0|2,0,0]=3 750 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,1,0,0,0,0|2,0,0]=3 751 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,1,0,0,0,0|2,0,0]=3 753 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,0,0,0,0|2,0,1]=4 754 B7R0.7 CN(CC#N)CC=O 12ba89d8d84c8f98fbf202698aed3177 [0,1,0,0,0,0|3,0,0]=4 755 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,1,0,0,0,0|3,0,0]=4 756 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,1,0,0,0,0|3,0,0]=4 757 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,1,0,0,0,0|1,1,0]=3 758 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,1,0,0,0,0|1,1,0]=3 759 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,1,0,0,0,0|1,1,0]=3 760 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,1,0,0,0,0|2,0,1]=4 763 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,0,0,0,0|1,0,2]=4 764 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,1,0,0,0,0|3,0,0]=4 765 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,1,0,0,0,0|3,0,0]=4 766 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,0,0,1,0,0|2,0,1]=4 767 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [0,0,0,1,0,0|2,0,1]=4 768 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,0,0,1,0,0|2,0,1]=4 769 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,0,0,1,0,0|1,0,0]=2 770 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,0,0,1,0,0|1,0,2]=4 771 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,0,0,1,0,0|2,0,0]=3 772 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,0,0,1,0,0|3,0,0]=4 773 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,0,0,1,0,0|2,0,1]=4 774 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [0,0,0,1,0,0|2,0,1]=4 775 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,0,0,1,0,0|2,0,1]=4 776 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,0,0,1,0,0|2,0,0]=3 777 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,0,0,1,0,0|1,1,0]=3 778 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,0,0,1,0,0|3,0,0]=4 779 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [0,0,0,1,0,0|3,0,0]=4 780 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,0,0,1,0,0|2,0,1]=4 781 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,0,0,1,0,0|2,0,1]=4 782 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,0,0,1,0,0|2,0,0]=3 783 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,0,0,1,0,0|2,0,0]=3 784 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,0,0,1,0,0|2,0,0]=3 785 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,1,0,0,0,0|1,0,1]=4 786 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [1,1,0,0,0,0|2,0,0]=4 787 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,1,0,0,0,0|2,0,0]=4 788 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [1,1,0,0,0,0|2,0,0]=4 789 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,1,0,0,0,0|2,0,0]=4 790 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [1,1,0,0,0,0|2,0,0]=4 791 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,1,0,0,0,0|1,1,0]=4 792 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [1,1,0,0,0,0|1,0,0]=3 793 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|1,0,0]=3 794 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [1,1,0,0,0,0|1,0,0]=3 795 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|1,0,1]=4 796 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,1,0,0,0,0|1,0,0]=3 797 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [1,1,0,0,0,0|1,0,0]=3 798 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [1,1,0,0,0,0|1,0,0]=3 799 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [1,1,0,0,0,0|2,0,0]=4 800 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|1,1,0]=4 801 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,1,0,0,0,0|1,1,0]=4 802 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,1,0,0,0,0|1,1,0]=4 803 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|2,0,0]=4 804 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,1,0,0,0,0|2,0,0]=4 805 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [1,1,0,0,0,0|1,0,1]=4 806 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 807 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|2,0,0]=4 808 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,1,0,0,0,0|2,0,0]=4 809 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,1,0,0,0,0|2,0,0]=4 810 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,1,0,0,0,0|2,0,0]=4 812 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|1,0,1]=4 813 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|2,0,0]=4 814 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,1,0]=4 815 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|2,0,0]=4 816 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|2,0,0]=4 817 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|2,0,0]=4 818 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|2,0,0]=4 819 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|1,1,0]=4 820 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|1,0,0]=3 821 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,1,0,0,0,0|1,0,0]=3 822 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,1,0,0,0,0|1,0,0]=3 823 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|1,0,0]=3 824 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,0]=3 825 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,0]=3 826 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|1,0,0]=3 827 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|1,0,0]=3 828 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|1,0,0]=3 829 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,0,0]=3 830 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,0]=3 831 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,1,0,0,0,0|1,1,0]=4 832 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 833 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|1,0,0]=3 835 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|1,0,0]=3 836 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,1,0,0,0,0|2,0,0]=4 837 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|1,1,0]=4 838 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|2,0,0]=4 839 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|2,0,0]=4 840 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|1,1,0]=4 841 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|2,0,0]=4 842 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [1,1,0,0,0,0|2,0,0]=4 843 B8R0.1 C#CCC(C)OCC=O 6f35cb4bf7bb16a3eee8311ce03cd4d2 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.1 C#CCC(C)OCSC bb02c72767ccac090c5896e4c57a1b30 [0,2,0,0,0,0|1,0,1]=4 845 B8R0.1 C#CCCN(C)CC=O abfe3994cf7670d80dbb5df8b8fa93fa [0,2,0,0,0,0|1,0,1]=4 846 B8R0.1 C#CCCN(C)CSC 387f7d72b77b68d9b2a22cbfaa13e322 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.1 C#CCN(C)CCC=O abee002607871288bd00a9ef0fa249c8 [0,2,0,0,0,0|1,0,1]=4 848 B8R0.1 C#CCN(C)CCSC 7e362c59a4f0090219a391dce19a4a21 [0,2,0,0,0,0|1,0,1]=4 849 B8R0.1 C#CCOC(C)CSC 2203e778a2c3e1c34211373f1ff4006d [0,2,0,0,0,0|1,0,1]=4 850 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [0,2,0,0,0,0|1,0,1]=4 851 B8R0.1 C/C=C/C(C)OCSC 7bd1b57eaf0e1c7256baeb02ffe2e648 [0,2,0,0,0,0|1,0,1]=4 852 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,2,0,0,0,0|1,1,0]=4 853 B8R0.1 C=CCC(C)COCF 1addc2f48251cfde760e48a173ade9f6 [0,2,0,0,0,0|1,1,0]=4 854 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [0,2,0,0,0,0|1,0,1]=4 855 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,2,0,0,0,0|2,0,0]=4 856 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,2,0,0,0,0|1,1,0]=4 857 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.1 C=CCC(O)CNC=O bd60316b28a4da54cc901c5bd26e442c [0,2,0,0,0,0|1,0,1]=4 859 B8R0.1 C=CCC(O)CNCC aa1682f0a7f6c65d6e9eb9dff4402815 [0,2,0,0,0,0|2,0,0]=4 860 B8R0.1 C=CCC(O)CNCF c0bdf6f8ca06080a80ef62d0a41a2190 [0,2,0,0,0,0|2,0,0]=4 861 B8R0.1 C=CCC(O)CNCO 204a1c2d99d2ab906e0c45b9fba04cd9 [0,2,0,0,0,0|2,0,0]=4 862 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,2,0,0,0,0|1,1,0]=4 863 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [0,2,0,0,0,0|1,1,0]=4 864 B8R0.1 C=CCCN(C)CC=O b6583e7bc93735d44a280421bb97021c [0,2,0,0,0,0|1,0,1]=4 865 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [0,2,0,0,0,0|2,0,0]=4 866 B8R0.1 C=CCCN(C)COC 3f390760d606763d10d3e6dd76b889ee [0,2,0,0,0,0|1,1,0]=4 867 B8R0.1 C=CCCN(C)CSC bcba3911193dd2dd65f054dc7e7e5d60 [0,2,0,0,0,0|1,0,0]=3 868 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,2,0,0,0,0|1,1,0]=4 869 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [0,2,0,0,0,0|1,1,0]=4 870 B8R0.1 C=CCN(C)CCC=O 342d88422510b840605a3009ff48b522 [0,2,0,0,0,0|1,0,1]=4 871 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.1 C=CCN(C)CCOC 35c6a7bb506c9bbb574bc4cf97ada70e [0,2,0,0,0,0|1,1,0]=4 873 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [0,2,0,0,0,0|1,0,0]=3 874 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,2,0,0,0,0|2,0,0]=4 875 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [0,2,0,0,0,0|1,1,0]=4 876 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,2,0,0,0,0|2,0,0]=4 877 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [0,2,0,0,0,0|1,1,0]=4 878 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [0,2,0,0,0,0|1,1,0]=4 879 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,2,0,0,0,0|2,0,0]=4 880 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,2,0,0,0,0|1,1,0]=4 881 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,2,0,0,0,0|1,0,0]=3 882 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,2,0,0,0,0|2,0,0]=4 883 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,2,0,0,0,0|1,1,0]=4 884 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,2,0,0,0,0|2,0,0]=4 885 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,2,0,0,0,0|1,1,0]=4 886 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,2,0,0,0,0|2,0,0]=4 888 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,2,0,0,0,0|1,1,0]=4 889 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,2,0,0,0,0|1,0,0]=3 890 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [0,2,0,0,0,0|1,0,1]=4 891 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,2,0,0,0,0|2,0,0]=4 892 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,2,0,0,0,0|1,1,0]=4 893 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,2,0,0,0,0|1,0,0]=3 894 B8R0.1 CC#CC(C)OCC=O 0936b2d98ed4cec8bffedc9581b11964 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.1 CC(CC#N)NCC=O 876ecee87e936959217fd59643b77cf7 [0,2,0,0,0,0|2,0,0]=4 896 B8R0.1 CC(CC#N)OCC=O 510ddb57839fab432176d9d3dc4d1852 [0,2,0,0,0,0|2,0,0]=4 897 B8R0.1 CC(CCCO)NC=O 15bbe5f218049b8debf6ff63d25de29f [0,2,0,0,0,0|2,0,0]=4 898 B8R0.1 CC(CCO)CNC=O 494f744824d462f62341eadad29d83d3 [0,2,0,0,0,0|2,0,0]=4 899 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,2,0,0,0,0|2,0,0]=4 900 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [0,2,0,0,0,0|1,0,1]=4 901 B8R0.1 CC=CC(C)OCSC 649acf68090c01608c547993a8bbff15 [0,2,0,0,0,0|1,0,1]=4 902 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,2,0,0,0,0|1,0,1]=4 903 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,2,0,0,0,0|1,0,0]=3 904 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,2,0,0,0,0|1,0,1]=4 905 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,2,0,0,0,0|1,0,0]=3 906 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,2,0,0,0,0|1,0,1]=4 907 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,2,0,0,0,0|1,0,0]=3 908 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,2,0,0,0,0|1,0,0]=3 909 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,2,0,0,0,0|1,0,0]=3 910 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,2,0,0,0,0|1,0,1]=4 911 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,2,0,0,0,0|1,0,0]=3 912 B8R0.1 CCCN(C)CCC=O cd4badc64192ce4c537889fd9678d594 [0,2,0,0,0,0|1,0,0]=3 913 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,2,0,0,0,0|1,0,1]=4 914 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,2,0,0,0,0|1,0,1]=4 915 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,2,0,0,0,0|1,0,1]=4 916 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,2,0,0,0,0|1,0,0]=3 917 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,2,0,0,0,0|1,0,1]=4 918 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,2,0,0,0,0|1,0,0]=3 919 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,2,0,0,0,0|1,0,1]=4 920 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,2,0,0,0,0|1,0,1]=4 922 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,2,0,0,0,0|1,1,0]=4 924 B8R0.1 CN(CC#N)CCC=O 82910c4293b6e33f66d0d331bb763af3 [0,2,0,0,0,0|2,0,0]=4 925 B8R0.1 CN(CC=O)CCC#N 2b7af8a14631e012502622d7a3c9dfed [0,2,0,0,0,0|2,0,0]=4 926 B8R0.1 CN(CC=O)CCCO e829ef1e39177735d96baabedb183026 [0,2,0,0,0,0|2,0,0]=4 927 B8R0.1 CN(CC=O)CCON e216ea3a47e02385fd3a2622ad7fa59d [0,2,0,0,0,0|1,1,0]=4 928 B8R0.1 CN(CCF)CCC=O 8931c69c0220d8a040f4b6d70039493e [0,2,0,0,0,0|2,0,0]=4 929 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,2,0,0,0,0|2,0,0]=4 930 B8R0.1 COCC(C)NCC=O 4baf3fe6a6d274e7ea1aec1466238275 [0,2,0,0,0,0|0,1,0]=3 931 B8R0.1 COCC(C)NCSC c65c691b291feca97768e9e081d9e61b [0,2,0,0,0,0|2,0,0]=4 932 B8R0.1 COCC(C)OCC=O a93d71aa3da594c97159b56ba29ff8f5 [0,2,0,0,0,0|0,1,0]=3 933 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,2,0,0,0,0|2,0,0]=4 934 B8R0.1 COCC(O)CNC=O dcf0e3098a4084e4af6a40d5ee812c91 [0,2,0,0,0,0|0,1,0]=3 935 B8R0.1 COCCN(C)CC=O c7dafc3b396de10656291e435de6410a [0,2,0,0,0,0|0,1,0]=3 936 B8R0.1 COCCN(C)CSC 5f13e0ff3c679461b2b1a419feb6e996 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.1 COCOC(C)CSC 67f2cecd3f83eeb485abb23e4115d530 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.1 COC[C@@H](C)NCC=O 4fb921a050a5f68cf2239a934ae891a7 [0,2,0,0,0,0|0,1,0]=3 940 B8R0.1 COC[C@@H](C)NCSC a373e5142c49c6b8358dc6f2a80e75c6 [0,2,0,0,0,0|2,0,0]=4 941 B8R0.1 COC[C@@H](C)OCC=O e4852e42aa1f253c2a0a1f8cacf1148b [0,2,0,0,0,0|0,1,0]=3 942 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.1 COC[C@@H](O)CNC=O 17b12184b93d1444bd3c1cfdf3acf27b [0,2,0,0,0,0|0,1,0]=3 944 B8R0.1 COC[C@H](C)NCC=O bc29ca8d06d84bc5177cf78e24d1b1b6 [0,2,0,0,0,0|0,1,0]=3 945 B8R0.1 COC[C@H](C)NCSC 32dd16ad91f658657131385e4dd12f54 [0,2,0,0,0,0|2,0,0]=4 946 B8R0.1 COC[C@H](C)OCC=O e3af86d71c642a75e0e78450bc9ecd56 [0,2,0,0,0,0|0,1,0]=3 947 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,2,0,0,0,0|2,0,0]=4 948 B8R0.1 CSCC(C)OCC#N 887eca56e5116979b16e1d6b269ff8e6 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,2,0,0,0,0|0,0,0]=2 950 B8R0.1 CSCC(C)OCCF a09a905ddb581f9ec7a4a8fc9c3b330c [0,2,0,0,0,0|1,0,1]=4 951 B8R0.1 CSCC(C)OCCS 87c78ed89e5ba05b837584ab98110c8a [0,2,0,0,0,0|0,1,1]=4 952 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,2,0,0,0,0|1,0,1]=4 953 B8R0.1 CSCCN(C)CC#N b20f36d40ca87cea9b936f7c4acdd072 [0,2,0,0,0,0|1,0,1]=4 954 B8R0.1 CSCCN(C)CC=O 89a7838ed9276e35ce7d12178b247609 [0,2,0,0,0,0|0,0,0]=2 955 B8R0.1 CSCCN(C)CCF 009b8e27e8e790d3ca2e81faf9ac0f0f [0,2,0,0,0,0|1,0,1]=4 956 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,2,0,0,0,0|0,0,2]=4 957 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,2,0,0,0,0|0,1,1]=4 958 B8R0.1 CSCCN(C)CSC 2fe8ec926878f90934ccdb2b3a5d1e07 [0,2,0,0,0,0|2,0,0]=4 959 B8R0.1 CSCN(C)CCC#N 7222ed3a90ee965752a7fc17af278f49 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,2,0,0,0,0|0,0,2]=4 961 B8R0.1 CSCN(C)CCON a0fc03321ed5624919ba05479c976d53 [0,2,0,0,0,0|2,0,0]=4 962 B8R0.1 CSCNC(C)CC#N 22af020219a2ac96693d2af01b236c68 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,2,0,0,0,0|0,0,2]=4 964 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,2,0,0,0,0|0,0,2]=4 965 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,2,0,0,0,0|0,0,2]=4 966 B8R0.1 CSCOC(C)CC#N 82258fbdf25b30f079772f67634d60a8 [0,2,0,0,0,0|1,0,1]=4 967 B8R0.1 CSCOC(C)CSC fd4788b9d6e38c9985f276fa19ca967e [0,2,0,0,0,0|2,0,0]=4 968 B8R0.1 CSCO[C@@H](C)CC#N c7dc0b9e4684d90333d3995116c058a6 [0,2,0,0,0,0|1,0,1]=4 969 B8R0.1 CSCO[C@H](C)CC#N ab2ed16860b4cad06a3cf0feae0c30a7 [0,2,0,0,0,0|1,0,1]=4 970 B8R0.1 C[C@@H](CC#N)OCC=O fbb86d03e87cb409bf21e60c3df05582 [0,2,0,0,0,0|2,0,0]=4 971 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,2,0,0,0,0|2,0,0]=4 972 B8R0.1 C[C@H](CC#N)OCC=O 5dee6ecc90844b5e78d82d86547d8772 [0,2,0,0,0,0|2,0,0]=4 973 B8R0.1 C[C@H](CCCO)NC=O 76787ce64f2b79059513d880ee57c0da [0,2,0,0,0,0|2,0,0]=4 974 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.4 C#CCCCCNC=O fab4e18c7200300872a81b2f8c434fc9 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.4 C#CCCCNCC=O 414eda3adfc1222b484fdc6699f74335 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.4 C#CCCCNCSC d1e7b7c6307a3a2fb9a77e08eeaa2e5c [0,2,0,0,0,0|1,0,1]=4 978 B8R0.4 C#CCCCOCC=O 2bd65d8b9d5cba6b9cf170827e92955f [0,2,0,0,0,0|1,0,1]=4 979 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.4 C#CCCNCCC=O bc9ca51a96083c72c5825d8142093fbc [0,2,0,0,0,0|1,0,1]=4 981 B8R0.4 C#CCCNCCSC 0ffb0f65d63792827dae550b83359c51 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.4 C#CCCOCCC=O 7ad6db0675809531b0be56beb69dc38e [0,2,0,0,0,0|1,0,1]=4 983 B8R0.4 C#CCCOCCSC 25dc589773d3fea7b865bb1dd21ccf91 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.4 C#CCNCCCC=C 7b26c6616ec148321d3d4ce1e87fbe89 [0,2,0,0,0,0|2,0,0]=4 985 B8R0.4 C#CCNCCCC=O db8630cf98ea651c43d6ca8234e0542b [0,2,0,0,0,0|1,0,0]=3 986 B8R0.4 C#CCNCCCSC 2b3cc08e7dbd0ca3e268d49f603a07e3 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.4 C#CCNCCSCC 40d98a57cb45f0e17ec5887c9f82cb7c [0,2,0,0,0,0|1,0,1]=4 988 B8R0.4 C#CCOCCCC=C 556d0cf131aedf00ec9b50a54ed64d0e [0,2,0,0,0,0|1,1,0]=4 989 B8R0.4 C#CCOCCCC=O b1ce2abc243e0e37befceddf354af1b6 [0,2,0,0,0,0|0,1,0]=3 990 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.4 C#CCOCCNC=O 43850eeec559621ffeaebea73d916f82 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.4 C#CCOCCOC=O 377001fa3c1ab01254e3078c71ef3ae2 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.4 C#CCOCCSCC a29fc9ef5965efb64b51b39cd1c894a4 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,2,0,0,0,0|1,1,0]=4 995 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [0,2,0,0,0,0|1,1,0]=4 996 B8R0.4 C/C=C/CCOCC=O 5db978802355adcac3a83b93d1859621 [0,2,0,0,0,0|1,0,0]=3 997 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,2,0,0,0,0|1,1,0]=4 999 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,2,0,0,0,0|1,0,0]=3 1000 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,2,0,0,0,0|1,1,0]=4 1002 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [0,2,0,0,0,0|1,0,0]=3 1003 B8R0.4 C/C=C/COCCC=O a43ce373801c50acebabd363747860bf [0,2,0,0,0,0|1,0,0]=3 1004 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,2,0,0,0,0|1,1,0]=4 1006 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,2,0,0,0,0|1,0,0]=3 1007 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,2,0,0,0,0|1,1,0]=4 1008 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [0,2,0,0,0,0|1,1,0]=4 1009 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,2,0,0,0,0|1,1,0]=4 1011 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [0,2,0,0,0,0|1,0,0]=3 1012 B8R0.4 C/C=C\COCCC=O c26106eb88bd1cd81d1af342374c2631 [0,2,0,0,0,0|1,0,0]=3 1013 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,2,0,0,0,0|1,1,0]=4 1015 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,2,0,0,0,0|1,0,0]=3 1016 B8R0.4 C=C=CCCOCC=O 7d1b287becd2562a9e8b56e216e91c79 [0,2,0,0,0,0|1,0,1]=4 1017 B8R0.4 C=C=CCCOCCC 9ed5c65e92b9c5d3410261fc24bf2400 [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.4 C=C=CCCOCOC e24b81246032baf9568f4ee87007f7e8 [0,2,0,0,0,0|1,1,0]=4 1019 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.4 C=CCCCCNC=O d1a18970ef82160dc43ff2316b351101 [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.4 C=CCCCCNCF 66d1b08c51ad91b8d794558a3082c457 [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,2,0,0,0,0|1,1,0]=4 1025 B8R0.4 C=CCCCCOCF 652425cff1f9489e7dc290eddd18987a [0,2,0,0,0,0|1,1,0]=4 1026 B8R0.4 C=CCCCNCC#N 2bf4426d43ec9f9f1def9c32c3027020 [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.4 C=CCCCNCC=C e27c0a4cbdfc3b6d6f5225d2c71dd9d7 [0,2,0,0,0,0|2,0,0]=4 1028 B8R0.4 C=CCCCNCC=O c6aa5d9295ee6884dda33ba20309e113 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.4 C=CCCCNCCBr 43c775c72da8acf09a20a8db6ce741dc [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.4 C=CCCCNCCF 5aae0c269d267d53802179e4cab94afb [0,2,0,0,0,0|2,0,0]=4 1032 B8R0.4 C=CCCCNCCI 441ba7fe4c9dcc0c4d21c4a2bd530b1a [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.4 C=CCCCNCCS 2ab638d6017ad22dc1c1beb467a58251 [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.4 C=CCCCNCOC 617d1097d149d47807c995b2155094d5 [0,2,0,0,0,0|1,1,0]=4 1036 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,2,0,0,0,0|1,0,0]=3 1037 B8R0.4 C=CCCCOCC#N 36a4f055e6fa3409a40c78c0ef4cc152 [0,2,0,0,0,0|1,1,0]=4 1038 B8R0.4 C=CCCCOCC=C ad263f502d3183145d3ed088a27f6019 [0,2,0,0,0,0|1,1,0]=4 1039 B8R0.4 C=CCCCOCC=O 2f101ef2b5e28437d61e44d8f0dff410 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,2,0,0,0,0|1,1,0]=4 1041 B8R0.4 C=CCCCOCCF 053da209f8e2fcf3d41519ae567dccd2 [0,2,0,0,0,0|1,1,0]=4 1042 B8R0.4 C=CCCCOCCS 230273a3bde125da52158385e7b68364 [0,2,0,0,0,0|1,1,0]=4 1043 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [0,2,0,0,0,0|1,1,0]=4 1044 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,2,0,0,0,0|1,0,0]=3 1045 B8R0.4 C=CCCNC/C=C/C 4ccb6d4a5466181c92f31da9f9d13f2f [0,2,0,0,0,0|2,0,0]=4 1046 B8R0.4 C=CCCNC/C=C\C 54a5f9c4187e71089766a41283a9f321 [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.4 C=CCCNCC#CC 7f8989a42da922606b9fcbe1f24f3f02 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.4 C=CCCNCC=CC d037edea77cb2ac74694bf9895dc0ab4 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.4 C=CCCNCCC=O dc8c76cf5e14247b5bfc6b4c26a93331 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,2,0,0,0,0|2,0,0]=4 1051 B8R0.4 C=CCCNCCCCl 2f80890407d24a4d727a764aa3314000 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.4 C=CCCNCCCF a727d01dc8aa52a771e9ef8cbecd1bb2 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.4 C=CCCNCCCS b5e2dc034d60fce9646b396f0e9d8f84 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,2,0,0,0,0|1,1,0]=4 1056 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,2,0,0,0,0|1,0,0]=3 1057 B8R0.4 C=CCCNCOCC 019c5c2eeb83b0d217acda6f874337c0 [0,2,0,0,0,0|1,1,0]=4 1058 B8R0.4 C=CCCNCSC#N 7e8d6f766636e593a1fc5435240819c2 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.4 C=CCCOC/C=C/C d631280c1763f785a03b3040cb129c16 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.4 C=CCCOC/C=C\C c3c90fac970442c1f88131a6471a2602 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.4 C=CCCOCC#CC 5f35d358b14517068ff00476952373eb [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.4 C=CCCOCC=CC c7a0ab3a74b3b6a037b51484209ea853 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.4 C=CCCOCCC=O ec149354374d31933709b7996ee520e0 [0,2,0,0,0,0|1,0,1]=4 1064 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.4 C=CCCOCCCF 3fad1ee7845cd193dab2bfc519ad2d31 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.4 C=CCCOCCCS 40f27123e6e7a95472850525bbd82a49 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,2,0,0,0,0|1,1,0]=4 1068 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,2,0,0,0,0|1,0,0]=3 1069 B8R0.4 C=CCCOCOCC b8653c6722f9d17f50ddc249f7a52472 [0,2,0,0,0,0|1,1,0]=4 1070 B8R0.4 C=CCCOCSC#N ae2b899dce19f655897ad8b233ea45f1 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,2,0,0,0,0|1,1,0]=4 1076 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,2,0,0,0,0|1,0,0]=3 1077 B8R0.4 C=CCNCCOCC 0140e609049b0aacf5d7bcd5e635cff9 [0,2,0,0,0,0|1,1,0]=4 1078 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [0,2,0,0,0,0|1,0,0]=3 1079 B8R0.4 C=CCOCC/C=C/C bc48ee2476d8663884dff4b3e0a900ad [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.4 C=CCOCCC#CC 09a234cfc55c2d71abbdd65f3f1bffaf [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.4 C=CCOCCCC=O 2fcafdb9cf3caf9087f3fbeee3f94cae [0,2,0,0,0,0|0,1,0]=3 1082 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,2,0,0,0,0|2,0,0]=4 1083 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [0,2,0,0,0,0|2,0,0]=4 1085 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [0,2,0,0,0,0|1,1,0]=4 1086 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,2,0,0,0,0|1,0,0]=3 1087 B8R0.4 C=CCOCCNC=O a13a712516002455a972a45148278cc0 [0,2,0,0,0,0|1,0,1]=4 1088 B8R0.4 C=CCOCCOC=O cc4c0fa320870fe6d6f693a921558628 [0,2,0,0,0,0|1,0,1]=4 1089 B8R0.4 C=CCOCCOCC f2504b53763d9ba810aab3f8ab9269df [0,2,0,0,0,0|1,1,0]=4 1090 B8R0.4 C=CCOCCOCF 06da768d0787925cdfed87b39ead52b1 [0,2,0,0,0,0|1,1,0]=4 1091 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,2,0,0,0,0|1,0,0]=3 1092 B8R0.4 C=COCCCNC=O c27d07096dad07383a216346b3809247 [0,2,0,0,0,0|0,1,1]=4 1093 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,2,0,0,0,0|2,0,0]=4 1094 B8R0.4 C=COCCCNCF e07e5c3e606b8ffc18f594f94beea595 [0,2,0,0,0,0|2,0,0]=4 1095 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [0,2,0,0,0,0|2,0,0]=4 1096 B8R0.4 C=COCCNCC=O 6f794f610f23ba9b548edd55eed414a5 [0,2,0,0,0,0|0,1,1]=4 1097 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,2,0,0,0,0|2,0,0]=4 1098 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [0,2,0,0,0,0|1,1,0]=4 1099 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,2,0,0,0,0|1,0,0]=3 1100 B8R0.4 C=COCCOCC=O 9bd7fdb79e0b225b83e40f269d14de8e [0,2,0,0,0,0|0,1,1]=4 1101 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.4 C=COCCOCOC 28985632a82f745364d35b6f4482f6c2 [0,2,0,0,0,0|1,1,0]=4 1103 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [0,2,0,0,0,0|1,0,0]=3 1104 B8R0.4 CC#CCCOCC=O 4c04347fb225e9caa89db4068f49522e [0,2,0,0,0,0|1,0,0]=3 1105 B8R0.4 CC#CCCOCSC 80b74f8165d1731d8886dd6019bd5d5a [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.4 CC#CCNCCC=O 695aaa08bc1098a9ad9b2ad16ca9a18d [0,2,0,0,0,0|1,0,0]=3 1107 B8R0.4 CC#CCNCCSC c78912118862da66915f570da9443650 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.4 CC#CCOCCC=O 12f959adc804eb71938fa75dc36ad2f6 [0,2,0,0,0,0|1,0,0]=3 1109 B8R0.4 CC#CCOCCSC 54026a423507e76e264159ea1eeff91a [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,2,0,0,0,0|1,1,0]=4 1115 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [0,2,0,0,0,0|1,1,0]=4 1116 B8R0.4 CC=CCNCCC=O 2a80025488f2160a303377e7638af432 [0,2,0,0,0,0|1,0,0]=3 1117 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,2,0,0,0,0|1,1,0]=4 1119 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [0,2,0,0,0,0|1,0,0]=3 1120 B8R0.4 CC=CCOCCC=O 11b79e80ce2ed0bdd15b0d17abab0682 [0,2,0,0,0,0|1,0,0]=3 1121 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,2,0,0,0,0|1,1,0]=4 1123 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,2,0,0,0,0|1,0,0]=3 1124 B8R0.4 CCC#CCOCC=O 99290f74ddb0278e9538fb31d6282bff [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,2,0,0,0,0|1,0,0]=3 1126 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,2,0,0,0,0|1,0,0]=3 1127 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,2,0,0,0,0|1,0,0]=3 1129 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [0,2,0,0,0,0|2,0,0]=4 1131 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [0,2,0,0,0,0|2,0,0]=4 1132 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,2,0,0,0,0|1,0,1]=4 1133 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,2,0,0,0,0|1,0,0]=3 1134 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,2,0,0,0,0|1,0,1]=4 1135 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [0,2,0,0,0,0|2,0,0]=4 1136 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [0,2,0,0,0,0|2,0,0]=4 1137 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [0,2,0,0,0,0|2,0,0]=4 1138 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,2,0,0,0,0|1,0,0]=3 1139 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,2,0,0,0,0|1,0,1]=4 1140 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,2,0,0,0,0|1,0,0]=3 1141 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,2,0,0,0,0|1,0,1]=4 1142 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,2,0,0,0,0|1,0,1]=4 1143 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,2,0,0,0,0|1,0,1]=4 1144 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,2,0,0,0,0|0,1,0]=3 1145 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,2,0,0,0,0|1,0,1]=4 1146 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,2,0,0,0,0|1,0,0]=3 1147 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,2,0,0,0,0|1,0,0]=3 1148 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,2,0,0,0,0|1,0,1]=4 1150 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,2,0,0,0,0|0,1,0]=3 1151 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,2,0,0,0,0|0,0,2]=4 1152 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [0,2,0,0,0,0|0,1,0]=3 1153 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,2,0,0,0,0|1,0,1]=4 1154 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,2,0,0,0,0|0,1,0]=3 1155 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,2,0,0,0,0|1,0,1]=4 1156 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [0,2,0,0,0,0|0,1,0]=3 1157 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,2,0,0,0,0|1,0,1]=4 1159 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [0,2,0,0,0,0|0,1,0]=3 1160 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.4 CCSCCCNC#N 408d6cc405f2608ea2ee21cd7eaf0917 [0,2,0,0,0,0|1,0,1]=4 1162 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,2,0,0,0,0|1,0,1]=4 1163 B8R0.4 CCSCCNCC#N 2eec74bf94384535450201d4fdc214fc [0,2,0,0,0,0|1,0,1]=4 1164 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,2,0,0,0,0|0,0,0]=2 1165 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [0,2,0,0,0,0|1,0,1]=4 1167 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [0,2,0,0,0,0|1,0,1]=4 1168 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,2,0,0,0,0|0,0,2]=4 1169 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [0,2,0,0,0,0|0,1,1]=4 1170 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,2,0,0,0,0|2,0,0]=4 1171 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [0,2,0,0,0,0|1,0,1]=4 1172 B8R0.4 CCSCCOCC#N 043c2069d87b0e87ef3782e40a36920e [0,2,0,0,0,0|1,0,1]=4 1173 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,2,0,0,0,0|0,0,0]=2 1174 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [0,2,0,0,0,0|1,0,1]=4 1175 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [0,2,0,0,0,0|0,1,1]=4 1176 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,2,0,0,0,0|2,0,0]=4 1177 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [0,2,0,0,0,0|1,0,1]=4 1178 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,2,0,0,0,0|0,1,0]=3 1179 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,2,0,0,0,0|0,1,0]=3 1180 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,2,0,0,0,0|0,0,2]=4 1181 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,2,0,0,0,0|0,1,0]=3 1182 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,2,0,0,0,0|0,0,2]=4 1183 B8R0.4 COCCNC/C=C/Cl a1b1d935e54ca0f86ec0bed852c610ac [0,2,0,0,0,0|1,1,0]=4 1184 B8R0.4 COCCNC/C=C\Cl c7a8e03128e72f79d2ed62c3464a8f60 [0,2,0,0,0,0|1,1,0]=4 1185 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [0,2,0,0,0,0|0,1,1]=4 1186 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,2,0,0,0,0|0,1,0]=3 1187 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,2,0,0,0,0|0,0,2]=4 1188 B8R0.4 COCCOC/C=C/Cl d36d34f68994eec49dbe330cbe20d2f5 [0,2,0,0,0,0|1,1,0]=4 1189 B8R0.4 COCCOC/C=C\Cl acf4247a6be926b91c5b4657cbe20d44 [0,2,0,0,0,0|1,1,0]=4 1190 B8R0.4 COCCOCC=CCl e41d815adaeb1ef91516917472352b4f [0,2,0,0,0,0|1,1,0]=4 1191 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,2,0,0,0,0|0,1,0]=3 1192 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,2,0,0,0,0|0,0,2]=4 1193 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [0,2,0,0,0,0|0,0,2]=4 1194 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [0,2,0,0,0,0|0,1,1]=4 1195 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [0,2,0,0,0,0|0,1,0]=3 1196 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [0,2,0,0,0,0|0,0,2]=4 1197 B8R0.4 COCOCCNC=O d2f3dc716da407412ea36aea7489896a [0,2,0,0,0,0|0,1,0]=3 1198 B8R0.4 COCOCCOC=O 773d5ab92f0785e20c35a5ecfa8aef71 [0,2,0,0,0,0|0,1,0]=3 1199 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,2,0,0,0,0|0,0,0]=2 1200 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,2,0,0,0,0|0,0,2]=4 1202 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,2,0,0,0,0|0,0,2]=4 1203 B8R0.4 CSCCCNCC#N 165f98d70570f4cd41fba0a703555e9a [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,2,0,0,0,0|0,0,0]=2 1205 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,2,0,0,0,0|1,0,1]=4 1208 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,2,0,0,0,0|0,0,2]=4 1209 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,2,0,0,0,0|0,1,1]=4 1210 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [0,2,0,0,0,0|0,1,1]=4 1211 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,2,0,0,0,0|0,0,0]=2 1213 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [0,2,0,0,0,0|0,1,1]=4 1215 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [0,2,0,0,0,0|0,1,1]=4 1216 B8R0.4 CSCCNC/C=C/Cl 823a1a5b76c19d884fb910b8f19886f1 [0,2,0,0,0,0|1,0,0]=3 1217 B8R0.4 CSCCNC/C=C\Cl f80b9aaf0cbd8ef0882811815e458c7f [0,2,0,0,0,0|1,0,0]=3 1218 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,2,0,0,0,0|0,0,1]=3 1219 B8R0.4 CSCCNCCC#N a0acae4cf5595d98d145d1c7ad0cdff1 [0,2,0,0,0,0|1,0,1]=4 1220 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,2,0,0,0,0|0,0,0]=2 1221 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,2,0,0,0,0|1,0,1]=4 1222 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,2,0,0,0,0|1,0,1]=4 1223 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,2,0,0,0,0|0,0,2]=4 1224 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,2,0,0,0,0|0,1,1]=4 1225 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,2,0,0,0,0|0,0,2]=4 1226 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,2,0,0,0,0|0,1,1]=4 1227 B8R0.4 CSCCNCSC#N f0b056db023fc660557be249e2da064f [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,2,0,0,0,0|1,0,0]=3 1229 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,2,0,0,0,0|1,0,0]=3 1230 B8R0.4 CSCCOCC#CI ce5d5ceed8257d05e5b9f55277bfa9e2 [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,2,0,0,0,0|1,0,0]=3 1232 B8R0.4 CSCCOCCC#N 8f26ba09caeb7d07b3d9a153be269494 [0,2,0,0,0,0|1,0,1]=4 1233 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,2,0,0,0,0|0,0,0]=2 1234 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,2,0,0,0,0|0,1,1]=4 1236 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [0,2,0,0,0,0|0,1,1]=4 1237 B8R0.4 CSCCOCSC#N b0e8097cd7171b01f502d6b2451628a9 [0,2,0,0,0,0|1,0,1]=4 1238 B8R0.4 CSCNCCCC#N cec4adb0696a70e08df2d4885f4d5d2e [0,2,0,0,0,0|1,0,1]=4 1239 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,2,0,0,0,0|0,0,2]=4 1241 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,2,0,0,0,0|0,1,1]=4 1242 B8R0.4 CSCOC/C=C/C=O 8214affd03209cc6c710ec092140e7af [0,2,0,0,0,0|0,0,1]=3 1243 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [0,2,0,0,0,0|1,0,1]=4 1244 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,2,0,0,0,0|0,0,0]=2 1245 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,2,0,0,0,0|1,0,1]=4 1246 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,2,0,0,0,0|0,1,1]=4 1247 B8R0.4 CSCOCCNC=O 06cab0f55d10d488e369b65237bc7019 [0,2,0,0,0,0|0,0,0]=2 1248 B8R0.4 CSCOCCOC=O 6b8870cbaaae325b360a7cd8be5fab08 [0,2,0,0,0,0|0,0,0]=2 1249 B8R0.4 N#CCCCCNC=O 3cd3800040138849f83fc8af50952e52 [0,2,0,0,0,0|1,0,1]=4 1250 B8R0.4 N#CCCCNCC=O d854d0cd92fb97dc75a49fe1b07d6ea0 [0,2,0,0,0,0|1,0,1]=4 1251 B8R0.4 N#CCCCOCC=O 5021bfa282317572b50730c05559236b [0,2,0,0,0,0|1,0,1]=4 1252 B8R0.4 N#CCCNCCC=O 9cc2d29cdddc221cdc2d9562c603ab42 [0,2,0,0,0,0|1,0,1]=4 1253 B8R0.4 N#CCCOCCC=O 7ec41fdd2ff1ba3ed3a0b9e19f3d2454 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.4 N#CCNCCCC=O 10d777fdcdfc9a0ea350c9cb897ad0ef [0,2,0,0,0,0|1,0,0]=3 1255 B8R0.4 N#CCOCCCC=O 5d03e3c86ae9653ce110fc1972a6bc02 [0,2,0,0,0,0|0,1,0]=3 1256 B8R0.4 N#CCOCCNC=O c1eb9361bb3c337ad9286b7ed3e446fb [0,2,0,0,0,0|1,1,0]=4 1257 B8R0.4 N#CCOCCOC=O 9d6003c9923a25956c14b6575f90e53d [0,2,0,0,0,0|1,1,0]=4 1258 B8R0.4 N#CNCCCCC=O cb223ce8e3f3f6933ad650f40cb8dd32 [0,2,0,0,0,0|1,0,1]=4 1259 B8R0.4 N#CNCCOCC=O 33954fb8e958682398fdbfaa365b3acc [0,2,0,0,0,0|1,0,1]=4 1260 B8R0.4 N#CSCOCCC=O 44fe2eb1b89b4c107c2a2147003b9ac6 [0,2,0,0,0,0|0,0,1]=3 1261 B8R0.4 NOCCNCCC=O a28664bdd7f1423388d38847fe6fa46f [0,2,0,0,0,0|1,1,0]=4 1262 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [0,2,0,0,0,0|0,1,0]=3 1263 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [0,2,0,0,0,0|1,0,0]=3 1264 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [0,2,0,0,0,0|1,0,0]=3 1265 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [0,2,0,0,0,0|1,0,0]=3 1266 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [0,2,0,0,0,0|1,0,0]=3 1268 B8R0.4 O=CCCCOCC=O a3d7179e2fd1cae25f7f53e552046696 [0,2,0,0,0,0|0,1,0]=3 1269 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [0,2,0,0,0,0|0,1,0]=3 1270 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [0,2,0,0,0,0|0,1,0]=3 1271 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,2,0,0,0,0|1,0,0]=3 1272 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,2,0,0,0,0|1,0,0]=3 1273 B8R0.4 O=CCCOC/C=C/Cl 70c37f441457e670a33016e6a6036aa9 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.4 O=CCCOC/C=C\Cl 3af673843e38cfced66b426ecc3a2dc0 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.4 O=CCCOCC#CI f564df6f805b4674340b4c68208fa93d [0,2,0,0,0,0|1,0,1]=4 1276 B8R0.4 O=CCCOCC=CCl b65a39c960d32bf6156b26db6de2c272 [0,2,0,0,0,0|1,0,1]=4 1277 B8R0.4 O=CCCOCCC=O 9ddac43159e400089a6db60f04bc736c [0,2,0,0,0,0|1,0,1]=4 1278 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [0,2,0,0,0,0|1,0,0]=3 1279 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [0,2,0,0,0,0|1,0,0]=3 1280 B8R0.4 O=CCNCC#CCO 199f09255f0b2c9afc23bd32d8751dc4 [0,2,0,0,0,0|1,0,1]=4 1281 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,2,0,0,0,0|1,0,0]=3 1282 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,2,0,0,0,0|1,0,0]=3 1283 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,2,0,0,0,0|1,0,0]=3 1284 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,2,0,0,0,0|1,0,0]=3 1285 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,2,0,0,0,0|1,0,0]=3 1286 B8R0.4 O=CCOCCNC=O 4e523542aa2070455adeed404aef53bd [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.4 O=CCOCCOC=O f05f0d0e8934b517680eca7957de44e9 [0,2,0,0,0,0|0,1,1]=4 1288 B8R0.4 O=CCOCCOCF bfda5f83f4865dfb775a71a596865b83 [0,2,0,0,0,0|0,1,0]=3 1289 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [0,2,0,0,0,0|1,0,0]=3 1290 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,2,0,0,0,0|1,0,0]=3 1291 B8R0.4 O=CNCCOCCF c8a5c0eacdcd1d316a424c4005d58ef9 [0,2,0,0,0,0|1,1,0]=4 1292 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,2,0,0,0,0|1,1,0]=4 1293 B8R0.4 O=CNCCOCCS fd3b3090b4eefe81cd9992494316f59f [0,2,0,0,0,0|1,1,0]=4 1294 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,2,0,0,0,0|1,0,0]=3 1295 B8R0.4 O=COCCOCCF 3ac9afe53341268fdfe07221ba11eb92 [0,2,0,0,0,0|1,1,0]=4 1296 B8R0.4 O=COCCOCCS e57473f45057007c5c8548c766fce976 [0,2,0,0,0,0|1,1,0]=4 1297 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,2,0,0,0,0|2,0,0]=4 1298 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,2,0,0,0,0|1,1,0]=4 1299 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,2,0,0,0,0|1,0,0]=3 1300 B8R0.6 C#CC(C)NCCC=O b9c5b6ba8cfb4703ce184973d7d00c34 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.6 C#CC(C)NCCSC a9e885edc9802bcd8adbff901d19adf3 [0,2,0,0,0,0|1,0,1]=4 1302 B8R0.6 C#CC(C)OCCC=O b4f26efb44146120dac4c2f499518b75 [0,2,0,0,0,0|1,0,1]=4 1303 B8R0.6 C#CC(C)OCCSC d6b22fe23f522e8f889574142a499004 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.6 C#CCCNC(C)C=O ea754782fa55ced8189bbcc7eaa92b40 [0,2,0,0,0,0|1,0,1]=4 1305 B8R0.6 C#CCCN[C@H](C)C=O eb1b7b635f9c185e8e4fe6309fe8ab77 [0,2,0,0,0,0|1,0,1]=4 1306 B8R0.6 C#CCCOC(C)C=O 6d0394650a52cdfe9e130a150fee6f84 [0,2,0,0,0,0|1,0,1]=4 1307 B8R0.6 C#CCCO[C@H](C)C=O ba4c2f460be01a31770f9ee439a60bc0 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.6 C#C[C@@H](C)NCCC=O b812c862625c4e6478a179cd48b74fa0 [0,2,0,0,0,0|1,0,1]=4 1309 B8R0.6 C#C[C@@H](C)NCCSC 5269dd065a92b6f33f86981441b3809c [0,2,0,0,0,0|1,0,1]=4 1310 B8R0.6 C#C[C@@H](C)OCCC=O 1b5d14ca063cbe7e9022b4c05ac12aee [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.6 C#C[C@@H](C)OCCSC e50a58f5ccae490d6355478f26a54946 [0,2,0,0,0,0|1,0,1]=4 1312 B8R0.6 C#C[C@H](C)NCCC=O 60f4e36e697fd4ebabd9745a90d09b82 [0,2,0,0,0,0|1,0,1]=4 1313 B8R0.6 C#C[C@H](C)NCCSC 0d3c502dd79f296e487f234497bf7252 [0,2,0,0,0,0|1,0,1]=4 1314 B8R0.6 C#C[C@H](C)OCCC=O 69494d0b919c0bc0fbbc271ade219f3c [0,2,0,0,0,0|1,0,1]=4 1315 B8R0.6 C#C[C@H](C)OCCSC 8d841c2dac211e510b6459052038b3d0 [0,2,0,0,0,0|1,0,1]=4 1316 B8R0.6 C/C(=C\I)/COCC=O d24ecd4e9d90b27c0cfbb39972f8ce8c [0,2,0,0,0,0|2,0,0]=4 1317 B8R0.6 C/C=C/COC(C)C=O fa131e4f23e9c9657b7f6224894d03d7 [0,2,0,0,0,0|1,0,1]=4 1318 B8R0.6 C/C=C/CO[C@H](C)C=O 72678772068428946892afa70dba2cac [0,2,0,0,0,0|1,0,1]=4 1319 B8R0.6 C/C=C\COC(C)C=O 0c0befa84e3b57906471d374030127b5 [0,2,0,0,0,0|1,0,1]=4 1320 B8R0.6 C/C=C\CO[C@H](C)C=O 8d26d4e9027cf2c34d2202ac82180bcf [0,2,0,0,0,0|1,0,1]=4 1321 B8R0.6 C=C(C#N)COCSC 9147fff9e78997dd96cbe8f892034e6c [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,2,0,0,0,0|1,0,1]=4 1323 B8R0.6 C=C(C=O)OCCOC 8adae63bd2505248918f320832a88b6d [0,2,0,0,0,0|0,1,1]=4 1324 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,2,0,0,0,0|0,0,1]=3 1325 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,2,0,0,0,0|1,1,0]=4 1327 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,2,0,0,0,0|1,0,0]=3 1328 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.6 C=CC(C)COCOC 36b22a073b85f5a3908a00fc993d396f [0,2,0,0,0,0|1,1,0]=4 1331 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,2,0,0,0,0|1,0,0]=3 1332 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,2,0,0,0,0|1,0,1]=4 1333 B8R0.6 C=CC(C)NCCCC d3c1bcd103c726a70c57dba401d7cda5 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.6 C=CC(C)NCCOC a710c3e2053d147ad52da620b12b4dba [0,2,0,0,0,0|1,1,0]=4 1335 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,2,0,0,0,0|1,0,0]=3 1336 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,2,0,0,0,0|1,0,1]=4 1337 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,2,0,0,0,0|1,1,0]=4 1339 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,2,0,0,0,0|1,0,0]=3 1340 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,2,0,0,0,0|1,1,0]=4 1343 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,2,0,0,0,0|1,0,0]=3 1344 B8R0.6 C=CCCCN(C)C=O d5e163454d96a5cac685f2316e8ed7d5 [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.6 C=CCCCN(C)CC 1bec5e770716bf844a25a95ad899a7c4 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.6 C=CCCCN(C)CF e6af2ce76076b26c6389083a0013f3c7 [0,2,0,0,0,0|2,0,0]=4 1347 B8R0.6 C=CCCCN(C)CO 60383a05b98647585562faefac549271 [0,2,0,0,0,0|2,0,0]=4 1348 B8R0.6 C=CCCNC(C)C=O 7dacb78bf89ffaf9ebc02f1a6b584ebc [0,2,0,0,0,0|1,0,1]=4 1349 B8R0.6 C=CCCNC(C)CC f885cbdaaa18710cec8775d0fc08c804 [0,2,0,0,0,0|2,0,0]=4 1350 B8R0.6 C=CCCN[C@@H](C)CC 999e8371ea0e07c999dbfb955513b106 [0,2,0,0,0,0|2,0,0]=4 1351 B8R0.6 C=CCCN[C@H](C)C=O dfd9cd749dbab5a4cf001a3d7fe8d25c [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.6 C=CCCN[C@H](C)CC 07aa1c8af6a68bcbd328411f213e0d5f [0,2,0,0,0,0|2,0,0]=4 1353 B8R0.6 C=CCCOC(C)C=O d89bf43d83f4e504ad136803d884ddc7 [0,2,0,0,0,0|1,0,1]=4 1354 B8R0.6 C=CCCOC(C)CC b8bb0fe92dd0d23b9879350a5841a976 [0,2,0,0,0,0|2,0,0]=4 1355 B8R0.6 C=CCCO[C@@H](C)CC 29dfa30bd98e5dbf9563047158a37aea [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.6 C=CCCO[C@H](C)C=O 37010ca691c058fe96201b55449e1382 [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.6 C=CCCO[C@H](C)CC 5cad605e23fae06ae0f8741c6fbdd602 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.6 C=CCNCC(C)CC 494ce94604ac38dadc94644e86d6a10d [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.6 C=CCNCC(O)CC 5db360d29daafe062d6edb9c4c1b2a38 [0,2,0,0,0,0|2,0,0]=4 1360 B8R0.6 C=CCNC[C@@H](C)CC 10564aa737f9984860d65735a5b1d4f7 [0,2,0,0,0,0|2,0,0]=4 1361 B8R0.6 C=CCNC[C@@H](C)OC b7562211711e7dd3c0c532f66c1ea725 [0,2,0,0,0,0|1,1,0]=4 1362 B8R0.6 C=CCNC[C@H](C)OC f2ade53da8dc35e9501abf5457bf836b [0,2,0,0,0,0|1,1,0]=4 1363 B8R0.6 C=CCNC[C@H](O)CC 8931fa143d036244108e7a41dc0ec5c3 [0,2,0,0,0,0|2,0,0]=4 1364 B8R0.6 C=CCOCC(C)CC 80dd01c33214aee04f213ff4b3d8b154 [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.6 C=CCOCC(C)OC 5e8d34ad1209ea0db8a9ab36af63874c [0,2,0,0,0,0|1,1,0]=4 1366 B8R0.6 C=CCOC[C@@H](C)CC 33cb2ec72dfd50721c249724597568dd [0,2,0,0,0,0|2,0,0]=4 1367 B8R0.6 C=CCOC[C@@H](C)OC 56af6ef64f40f572849a587c987a9fb6 [0,2,0,0,0,0|1,1,0]=4 1368 B8R0.6 C=CCOC[C@H](C)CC ea37bcd01cf18ce9e17869382a85446c [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.6 C=CCOC[C@H](C)OC 19fb47c1068b524cb2a6d3cb74d2934d [0,2,0,0,0,0|1,1,0]=4 1370 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,2,0,0,0,0|1,0,1]=4 1371 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,2,0,0,0,0|1,1,0]=4 1373 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,2,0,0,0,0|1,0,0]=3 1374 B8R0.6 CC#CCNC(C)C=O 4b8b4c123178bf58e665b4251ca19049 [0,2,0,0,0,0|1,0,1]=4 1375 B8R0.6 CC#CCN[C@H](C)C=O de225de6233dc8f61e5204f720b0b039 [0,2,0,0,0,0|1,0,1]=4 1376 B8R0.6 CC#CCOC(C)C=O a1880e6a10a5d94c6d9be3fdb203a2c9 [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.6 CC#CCO[C@H](C)C=O 287509814ddaffb6e15fc3724c4670ac [0,2,0,0,0,0|1,0,1]=4 1378 B8R0.6 CC(=CI)COCC=O 8c68d906ad094a22395e991c01c39108 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.6 CC(C#N)CNCC=O 07dd87324302dc639b7e40a71a6d2b89 [0,2,0,0,0,0|2,0,0]=4 1380 B8R0.6 CC(C#N)COCC=O bdc1cb68eac2034044d1af91bed9168f [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.6 CC(C#N)NCCC=O 17f5eafdd4ffc04728989125a0e2f64a [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.6 CC(C#N)OCCC=O 99235743f38a0ed59261f8b08a8ebe83 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.6 CC(C=O)NCCC#N 62c8c25c0f52310b2f0562a74f5a7c89 [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|2,0,0]=4 1386 B8R0.6 CC(C=O)NCCON 74e37fbd94732254048517739053fcdc [0,2,0,0,0,0|1,1,0]=4 1387 B8R0.6 CC(C=O)OCCC#N 7afeaf47c6151f74950b75e9bb192784 [0,2,0,0,0,0|2,0,0]=4 1388 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [0,2,0,0,0,0|2,0,0]=4 1389 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,2,0,0,0,0|2,0,0]=4 1391 B8R0.6 CC(C=O)OCSC#N 200db258243c63cb080901c324ba1d83 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.6 CC(CF)OCCC=O b17ff84b04efc05e93964ee25e1ae59e [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,2,0,0,0,0|2,0,0]=4 1395 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.6 CC(CS)OCCC=O b15e712b3203e46c10248532ab426545 [0,2,0,0,0,0|2,0,0]=4 1397 B8R0.6 CC=CCNC(C)C=O 91835a46141d208cf4a38dbda5acfa3b [0,2,0,0,0,0|1,0,1]=4 1398 B8R0.6 CC=CCN[C@H](C)C=O 3de25320dcc5b60b7ab82c87a4cf69d7 [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.6 CC=CCOC(C)C=O 3d8a3f728c7148d7fc326eca893206e0 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.6 CC=CCO[C@H](C)C=O a976498a0880bb231380bbb58cfae4a2 [0,2,0,0,0,0|1,0,1]=4 1401 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,2,0,0,0,0|1,0,1]=4 1402 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,2,0,0,0,0|1,1,0]=4 1403 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|1,0,0]=3 1404 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,2,0,0,0,0|1,1,0]=4 1405 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,2,0,0,0,0|1,0,0]=3 1406 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [0,2,0,0,0,0|1,0,0]=3 1407 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [0,2,0,0,0,0|1,0,0]=3 1408 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,2,0,0,0,0|1,0,1]=4 1409 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [0,2,0,0,0,0|1,0,0]=3 1410 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [0,2,0,0,0,0|1,0,0]=3 1412 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,2,0,0,0,0|1,0,1]=4 1413 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [0,2,0,0,0,0|1,0,0]=3 1414 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [0,2,0,0,0,0|1,0,0]=3 1416 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,2,0,0,0,0|1,0,0]=3 1418 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,2,0,0,0,0|1,0,1]=4 1419 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,2,0,0,0,0|2,0,0]=4 1420 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,2,0,0,0,0|2,0,0]=4 1421 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|2,0,0]=4 1422 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,2,0,0,0,0|2,0,0]=4 1423 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,2,0,0,0,0|1,0,0]=3 1424 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,2,0,0,0,0|1,0,0]=3 1425 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,2,0,0,0,0|1,0,0]=3 1426 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,2,0,0,0,0|1,0,0]=3 1427 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|2,0,0]=4 1429 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|2,0,0]=4 1434 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|2,0,0]=4 1435 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [0,2,0,0,0,0|1,0,0]=3 1436 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,2,0,0,0,0|2,0,0]=4 1439 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,2,0,0,0,0|2,0,0]=4 1440 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|2,0,0]=4 1441 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|2,0,0]=4 1442 B8R0.6 CCOCCN(C)C=O 150e28d8c1b8a1d219f5e81a871d89a8 [0,2,0,0,0,0|1,1,0]=4 1443 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,2,0,0,0,0|1,1,0]=4 1444 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [0,2,0,0,0,0|1,0,0]=3 1445 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,2,0,0,0,0|1,0,1]=4 1446 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [0,2,0,0,0,0|1,0,0]=3 1447 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,2,0,0,0,0|1,0,1]=4 1448 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [0,2,0,0,0,0|1,0,0]=3 1449 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [0,2,0,0,0,0|1,0,0]=3 1451 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [0,2,0,0,0,0|1,0,0]=3 1453 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [0,2,0,0,0,0|1,0,0]=3 1455 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,2,0,0,0,0|1,0,1]=4 1456 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [0,2,0,0,0,0|1,0,0]=3 1457 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,2,0,0,0,0|1,0,1]=4 1458 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [0,2,0,0,0,0|1,0,0]=3 1459 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,2,0,0,0,0|1,0,1]=4 1460 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,2,0,0,0,0|2,0,0]=4 1461 B8R0.6 CN(C=O)CCOCF b61b4c84711e2254b5e31ade4625ff15 [0,2,0,0,0,0|1,1,0]=4 1462 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,2,0,0,0,0|1,1,0]=4 1465 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,2,0,0,0,0|1,0,0]=3 1466 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,2,0,0,0,0|1,0,1]=4 1467 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,2,0,0,0,0|1,1,0]=4 1468 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,2,0,0,0,0|1,0,0]=3 1469 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,2,0,0,0,0|0,1,1]=4 1470 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,2,0,0,0,0|0,1,1]=4 1471 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|1,0,0]=3 1472 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,2,0,0,0,0|0,1,1]=4 1473 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|1,0,0]=3 1474 B8R0.6 COC(C)COCC=O d60b36a618df9b4241244f9566ecdc5f [0,2,0,0,0,0|0,1,0]=3 1475 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.6 COCCCN(C)C=O 2dd2589e4563c98a7952d017ac8fb720 [0,2,0,0,0,0|0,1,0]=3 1477 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,2,0,0,0,0|0,1,1]=4 1478 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,2,0,0,0,0|1,1,0]=4 1479 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|1,1,0]=4 1480 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,2,0,0,0,0|1,1,0]=4 1481 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,2,0,0,0,0|0,1,0]=3 1482 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,2,0,0,0,0|0,1,0]=3 1483 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,2,0,0,0,0|0,1,0]=3 1484 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,2,0,0,0,0|0,1,0]=3 1485 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,2,0,0,0,0|1,1,0]=4 1486 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,2,0,0,0,0|1,1,0]=4 1487 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,2,0,0,0,0|1,1,0]=4 1488 B8R0.6 CO[C@@H](C)CNCC=O 2b4a7e30da32bc7234bd11589f11e153 [0,2,0,0,0,0|0,1,0]=3 1489 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.6 CO[C@@H](C)COCC=O 07ee3a6b4ceb80665f98c8f198456fc5 [0,2,0,0,0,0|0,1,0]=3 1491 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.6 CO[C@H](C)CNCC=O 7ca0dc6a01650113664fa48ed0e0ea51 [0,2,0,0,0,0|0,1,0]=3 1493 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.6 CO[C@H](C)COCC=O 8da8ed3e6726a83c5f05e475965abd23 [0,2,0,0,0,0|0,1,0]=3 1495 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,2,0,0,0,0|0,0,1]=3 1497 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,2,0,0,0,0|1,0,0]=3 1498 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,2,0,0,0,0|1,0,0]=3 1500 B8R0.6 CSCCNC(C)C#N 2ed55382ecc3c3447e2d791df391239f [0,2,0,0,0,0|1,0,1]=4 1501 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,2,0,0,0,0|0,0,0]=2 1502 B8R0.6 CSCCNC(C)CO eb710b0198f2b39e52336e903ad250ef [0,2,0,0,0,0|0,0,2]=4 1503 B8R0.6 CSCCN[C@@H](C)CO cfc28bd1fda6abe13c274ff1bd20f592 [0,2,0,0,0,0|0,0,2]=4 1504 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,2,0,0,0,0|0,0,0]=2 1505 B8R0.6 CSCCN[C@H](C)CO c317f5fd9170c648d9158d4d47f133a4 [0,2,0,0,0,0|0,0,2]=4 1506 B8R0.6 CSCCOC(C)C#N c5ba914c2c140691a18365318003996d [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,2,0,0,0,0|0,0,0]=2 1508 B8R0.6 CSCCOC(C)CF cfea21c2c3a8ac30e164d25c20f02c33 [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.6 CSCCOC(C)CS 8386082942f103927006a77e294cb463 [0,2,0,0,0,0|0,1,1]=4 1510 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,2,0,0,0,0|0,0,0]=2 1511 B8R0.6 CSCCO[C@H](C)CS c98ed2c9a664a9fb40a680980ae3c969 [0,2,0,0,0,0|0,1,1]=4 1512 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,2,0,0,0,0|1,0,0]=3 1513 B8R0.6 CSCNCC(Br)CBr 1439490bfbdc41c573128d2904ce5399 [0,2,0,0,0,0|1,0,1]=4 1514 B8R0.6 CSCNCC(C)C#N 52622470c3be95a128136a3b7ffd45bd [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,2,0,0,0,0|0,0,2]=4 1516 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,2,0,0,0,0|0,0,2]=4 1517 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|0,0,2]=4 1518 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,2,0,0,0,0|0,0,2]=4 1519 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|0,0,2]=4 1520 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,2,0,0,0,0|0,0,2]=4 1521 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,2,0,0,0,0|0,0,2]=4 1522 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|0,0,2]=4 1523 B8R0.6 CSCOC/C(=C/I)/C e9882d9dbe135b55905a235735c7634e [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.6 CSCOCC(=CI)C 582e2560e7d9aae0a93b39559f473897 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.6 CSCOCC(Br)CBr a2fab75acbb791d2a16fcbb635320e10 [0,2,0,0,0,0|1,0,1]=4 1526 B8R0.6 CSCOCC(C)C#N 67eeea3ed659de1ff5a3a35cc23d3f02 [0,2,0,0,0,0|1,0,1]=4 1527 B8R0.6 CSCOCC(Cl)CCl 675e921c03947d0d7d6759cc9d92c669 [0,2,0,0,0,0|1,0,1]=4 1528 B8R0.6 CSCOCC(S)CS 274fc9d3a3e01ec8bbe80140e4745922 [0,2,0,0,0,0|0,1,1]=4 1529 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,2,0,0,0,0|2,0,0]=4 1531 B8R0.6 C[C@H](C=O)NCCC#N efcafa617aed5d65bd0b18abc94bad42 [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,2,0,0,0,0|2,0,0]=4 1533 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.6 C[C@H](C=O)NCCON 5f36436e9f2e76846c3319840ed43a3d [0,2,0,0,0,0|1,1,0]=4 1535 B8R0.6 C[C@H](C=O)OCCC#N 4acfd2696f9ab4623946b701bc5066cf [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.6 C[C@H](CS)OCCC=O 59b0d090dd51e3a701804a923bcfc9bf [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.6 O=CCNCC(Br)CBr f8b4628b874c00ea67f5b1ea31294bcb [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,2,0,0,0,0|2,0,0]=4 1547 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.6 O=CCOCC(Br)CBr aae332e0e58a483c7a378575c78ea8c6 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.6 O=CCOCC(Cl)CCl 6c5deed46908ce8b01b3167bdc1c4832 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.6 O=CCOCC(S)CS bd94fe95bf66dc42f5eb22995ef59c1b [0,2,0,0,0,0|2,0,0]=4 1552 B8R0.6 O=CNCCC(O)CO e7dc97883d31a0c7dd013812e3944a74 [0,2,0,0,0,0|2,0,0]=4 1553 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [0,2,0,0,0,0|1,0,1]=4 1554 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,2,0,0,0,0|1,0,1]=4 1555 B8R0.7 C#CCCNCC(=O)N 1f3003baf97abd2324b063149dfdad50 [0,2,0,0,0,0|1,0,1]=4 1556 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,2,0,0,0,0|1,0,1]=4 1557 B8R0.7 C#CCCOCC(=O)C d40f062f5d5b5dd437467b58ad4478ba [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.7 C#CCCOCC(=O)N 16832b99fecfae9a9433e7f121c1b73e [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,2,0,0,0,0|1,0,1]=4 1560 B8R0.7 C#CCNCCC(=O)C c404d0087dc2dc93430e30073cbb1872 [0,2,0,0,0,0|1,0,1]=4 1561 B8R0.7 C#CCNCCC(=O)N 93be733b56fc479909304b7711180789 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,2,0,0,0,0|1,0,1]=4 1564 B8R0.7 C#CCOCCC(=O)N 238988e372393a30996f8238ceea5a3a [0,2,0,0,0,0|1,0,1]=4 1565 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,2,0,0,0,0|1,0,1]=4 1566 B8R0.7 C/C(=C/COCC=O)/Cl 1242a36c899156e7f2fba7315ce08cf0 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.7 C/C(=C/COCC=O)/I aaa33a52c17768e2cade6c56d9089cb8 [0,2,0,0,0,0|1,0,1]=4 1568 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [0,2,0,0,0,0|1,0,1]=4 1569 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [0,2,0,0,0,0|1,0,1]=4 1570 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,2,0,0,0,0|1,0,1]=4 1571 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [0,2,0,0,0,0|1,0,1]=4 1572 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [0,2,0,0,0,0|1,0,1]=4 1573 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,2,0,0,0,0|1,0,1]=4 1574 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [0,2,0,0,0,0|1,0,1]=4 1575 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [0,2,0,0,0,0|1,0,1]=4 1576 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [0,2,0,0,0,0|1,0,1]=4 1579 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,2,0,0,0,0|1,0,1]=4 1580 B8R0.7 C=C(Br)CCOCC=O 0f5f503d09bd4779632a1a822b523b4c [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.7 C=C(Br)CCOCCC 724052c822c0bef7448f44a794bff992 [0,2,0,0,0,0|2,0,0]=4 1582 B8R0.7 C=C(Br)CCOCOC c1c84f126d3fd57a0b0e1be8314eb30f [0,2,0,0,0,0|1,1,0]=4 1583 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [0,2,0,0,0,0|1,0,0]=3 1584 B8R0.7 C=C(Br)CNCCC=O 9262aa07588fa4d32114b968c5756cf6 [0,2,0,0,0,0|1,0,1]=4 1585 B8R0.7 C=C(Br)CNCCCC 7c9c44e81bf00a83350435698bbd8321 [0,2,0,0,0,0|2,0,0]=4 1586 B8R0.7 C=C(Br)CNCCOC 2f37d09dfbde25a8329e0bab5cba9d06 [0,2,0,0,0,0|1,1,0]=4 1587 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,2,0,0,0,0|1,0,0]=3 1588 B8R0.7 C=C(Br)COCCC=O d9d24c8d595c5e5e0654bf555539a612 [0,2,0,0,0,0|1,0,1]=4 1589 B8R0.7 C=C(Br)COCCCC ec6d613824c971053aa03d22d6526bd3 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.7 C=C(Br)COCCOC 2da701a5c4237e918809768f71501c67 [0,2,0,0,0,0|1,1,0]=4 1591 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,2,0,0,0,0|1,0,0]=3 1592 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,2,0,0,0,0|1,1,0]=4 1593 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,2,0,0,0,0|1,1,0]=4 1594 B8R0.7 C=C(C)CCNCC=O 4c3ba9587f8532929abf485727b781bd [0,2,0,0,0,0|1,0,0]=3 1595 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,2,0,0,0,0|1,1,0]=4 1597 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,2,0,0,0,0|1,0,0]=3 1598 B8R0.7 C=C(C)CCOCC=O da9ea0e0498e99e55f19b3c9d4d5bcb1 [0,2,0,0,0,0|1,0,0]=3 1599 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,2,0,0,0,0|2,0,0]=4 1600 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,2,0,0,0,0|1,1,0]=4 1601 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,2,0,0,0,0|1,0,0]=3 1602 B8R0.7 C=C(C)CNCCC=O 311dfeb8205d8e8cbdd8287713a6c3e0 [0,2,0,0,0,0|1,0,0]=3 1603 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,2,0,0,0,0|2,0,0]=4 1604 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,2,0,0,0,0|1,1,0]=4 1605 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,2,0,0,0,0|1,0,0]=3 1606 B8R0.7 C=C(C)COCCC=O 42d5e99ccfec788cebe16494c41e8b9c [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,2,0,0,0,0|1,1,0]=4 1609 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,2,0,0,0,0|1,0,0]=3 1610 B8R0.7 C=C(Cl)CNCCCC 8cde48ce042cc357f299abd3d75de5f6 [0,2,0,0,0,0|2,0,0]=4 1611 B8R0.7 C=C(Cl)CNCCOC d2b942d0401395267b6bea2fb57d8d54 [0,2,0,0,0,0|1,1,0]=4 1612 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,2,0,0,0,0|1,0,0]=3 1613 B8R0.7 C=C(Cl)COCCC=O 1fe9cb45f38dd4024fe57237ae6896f9 [0,2,0,0,0,0|1,0,1]=4 1614 B8R0.7 C=C(Cl)COCCCC b9221f326393a29bb0b2b7fc0007ae8a [0,2,0,0,0,0|2,0,0]=4 1615 B8R0.7 C=C(Cl)COCCOC 9cc11464b40b31027021ebe38caf2a78 [0,2,0,0,0,0|1,1,0]=4 1616 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,2,0,0,0,0|1,0,0]=3 1617 B8R0.7 C=C(F)CNCCCC d50f3d468cf2542e6029912d15cd6fb8 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.7 C=C(F)CNCCOC dae00dbc2d8543adc1568efb181171e9 [0,2,0,0,0,0|1,1,0]=4 1619 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,2,0,0,0,0|1,0,0]=3 1620 B8R0.7 C=C(F)COCCC=O d8b3681d9e8faaf6bd415b04a36ea0f3 [0,2,0,0,0,0|1,0,1]=4 1621 B8R0.7 C=C(F)COCCCC 985eead93b4fa2eb0f6e6420dae41362 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.7 C=C(F)COCCOC 823e22cf931d1dcb421932f5eadd6cab [0,2,0,0,0,0|1,1,0]=4 1623 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,2,0,0,0,0|1,0,0]=3 1624 B8R0.7 C=C(I)COCCC=O b803366a875001f7e4c6f6f6d751e360 [0,2,0,0,0,0|1,0,1]=4 1625 B8R0.7 C=C(I)COCCCC ad06c21e680b3d0f2a946d2102fcc07e [0,2,0,0,0,0|2,0,0]=4 1626 B8R0.7 C=C(I)COCCOC 9ba8f616af692aab0102499d760cb0fd [0,2,0,0,0,0|1,1,0]=4 1627 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,2,0,0,0,0|1,0,0]=3 1628 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,2,0,0,0,0|1,0,1]=4 1629 B8R0.7 C=CCCCNC(C)C 894cae9fc935a78c0b067be4248ffc85 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.7 C=CCCCOC(C)C 44f540e8992dd6ebc85c497ca5bd3da7 [0,2,0,0,0,0|1,1,0]=4 1631 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [0,2,0,0,0,0|2,0,0]=4 1632 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,2,0,0,0,0|1,0,1]=4 1633 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,2,0,0,0,0|1,0,1]=4 1634 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,2,0,0,0,0|1,0,1]=4 1635 B8R0.7 C=CCCNCC(C)C 1982685da06926e0cc923f857859a0da [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [0,2,0,0,0,0|2,0,0]=4 1637 B8R0.7 C=CCCNCN(C)C eceb5ac379e24d8757be166f331f1f73 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [0,2,0,0,0,0|2,0,0]=4 1639 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [0,2,0,0,0,0|2,0,0]=4 1641 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,2,0,0,0,0|1,0,1]=4 1642 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [0,2,0,0,0,0|1,0,1]=4 1643 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,2,0,0,0,0|1,0,1]=4 1644 B8R0.7 C=CCCOCC(C)C f8f56569331f47ab6b85f26977d0706c [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.7 C=CCCOCC(C)F 35268cb4c3d8d39c50e552ba36723a50 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.7 C=CCCOCC(C)S 0b13fb2271dc81ae4874cca9b955c6d8 [0,2,0,0,0,0|2,0,0]=4 1647 B8R0.7 C=CCCOCN(C)C 5bd37421946c502614179aa125c68111 [0,2,0,0,0,0|2,0,0]=4 1648 B8R0.7 C=CCCOC[C@@H](C)F 33ed1a4a48834dadd0ef0c94077124ed [0,2,0,0,0,0|2,0,0]=4 1649 B8R0.7 C=CCCOC[C@H](C)F f03681ee0a33fbb7ce4605edeb70867a [0,2,0,0,0,0|2,0,0]=4 1650 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [0,2,0,0,0,0|2,0,0]=4 1651 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [0,2,0,0,0,0|1,0,1]=4 1652 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,2,0,0,0,0|1,0,1]=4 1653 B8R0.7 C=CCNCCC(C)C 02f8ade1f1fe2a42fcd16f311d553eac [0,2,0,0,0,0|2,0,0]=4 1654 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [0,2,0,0,0,0|2,0,0]=4 1655 B8R0.7 C=CCNCCN(C)C 1b3ce81826c26bea5ab385b244bc798b [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [0,2,0,0,0,0|1,0,1]=4 1657 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [0,2,0,0,0,0|2,0,0]=4 1660 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,2,0,0,0,0|1,0,1]=4 1661 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [0,2,0,0,0,0|1,0,1]=4 1662 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,2,0,0,0,0|1,0,1]=4 1663 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [0,2,0,0,0,0|2,0,0]=4 1664 B8R0.7 C=CCOCCN(C)C 396f0cb9f4d9139b3793f0355979ea47 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [0,2,0,0,0,0|1,0,1]=4 1666 B8R0.7 CC#CCNCC(=O)N 98e7dd49acfde0590b88c5c43e6a2d4e [0,2,0,0,0,0|1,0,1]=4 1667 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,2,0,0,0,0|1,0,1]=4 1668 B8R0.7 CC#CCOCC(=O)N ef79d1ce9d8ff13308dca4126378cdb3 [0,2,0,0,0,0|1,0,1]=4 1669 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,2,0,0,0,0|1,0,1]=4 1670 B8R0.7 CC(=CCNCC=O)C 3064b3a277f78689989dd384c9ba4954 [0,2,0,0,0,0|1,0,1]=4 1671 B8R0.7 CC(=CCOCC=O)C 4ab5a59373408a34b4481ca370ab3cf9 [0,2,0,0,0,0|1,0,1]=4 1672 B8R0.7 CC(=CCOCC=O)I 2ac83cd845f1ff2fdd354fa23b1e9ba4 [0,2,0,0,0,0|1,0,1]=4 1673 B8R0.7 CC(=O)CCCNC#N 8b7273c99af5c82cd0047226199ec8d9 [0,2,0,0,0,0|1,0,1]=4 1674 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,2,0,0,0,0|0,1,0]=3 1675 B8R0.7 CC(=O)CCNCC#N 769fb98f7c4af2806e1b1e6106e1fb3b [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|2,0,0]=4 1677 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|2,0,0]=4 1678 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,2,0,0,0,0|1,0,0]=3 1683 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,2,0,0,0,0|2,0,0]=4 1684 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,2,0,0,0,0|2,0,0]=4 1685 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,2,0,0,0,0|2,0,0]=4 1686 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,2,0,0,0,0|1,0,0]=3 1687 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|2,0,0]=4 1689 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.7 CC(=O)CNCSC#N a6d239233cf01f15bf55514d69c12a89 [0,2,0,0,0,0|1,0,1]=4 1691 B8R0.7 CC(=O)COCCC#N 124c12496a741677c11befadae46beff [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,2,0,0,0,0|1,0,0]=3 1693 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.7 CC(=O)COCSC#N 45722447bc4e749f07479fd95098068f [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [0,2,0,0,0,0|2,0,0]=4 1697 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,2,0,0,0,0|2,0,0]=4 1700 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [0,2,0,0,0,0|2,0,0]=4 1701 B8R0.7 CC(=O)NCCNCF db91b63aaf221a36f5f6ac9412eb39bb [0,2,0,0,0,0|2,0,0]=4 1702 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,2,0,0,0,0|2,0,0]=4 1703 B8R0.7 CC(=O)NCCOCF 64711f295825afc1aa99ebd9c8f8a648 [0,2,0,0,0,0|1,1,0]=4 1704 B8R0.7 CC(=O)NCOCC=O 310db67b0a81e8cdbbbd8479bed9a419 [0,2,0,0,0,0|2,0,0]=4 1705 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [0,2,0,0,0,0|1,1,0]=4 1706 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [0,2,0,0,0,0|1,0,0]=3 1707 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [0,2,0,0,0,0|1,0,0]=3 1708 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [0,2,0,0,0,0|1,0,0]=3 1709 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [0,2,0,0,0,0|1,0,0]=3 1710 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [0,2,0,0,0,0|1,0,0]=3 1711 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [0,2,0,0,0,0|0,1,0]=3 1712 B8R0.7 CC(C)OCCNC=O 9db582d0158adc28dc148f1bd6556868 [0,2,0,0,0,0|1,1,0]=4 1713 B8R0.7 CC(C)OCCOC=O 1a56f018311ee77835abf65d4ff13081 [0,2,0,0,0,0|1,1,0]=4 1714 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [0,2,0,0,0,0|1,0,0]=3 1715 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,2,0,0,0,0|1,0,0]=3 1716 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,2,0,0,0,0|1,0,0]=3 1717 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [0,2,0,0,0,0|1,0,0]=3 1718 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [0,2,0,0,0,0|1,0,1]=4 1719 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,2,0,0,0,0|1,0,1]=4 1720 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [0,2,0,0,0,0|1,0,1]=4 1721 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,2,0,0,0,0|1,0,1]=4 1722 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,2,0,0,0,0|1,0,0]=3 1723 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,2,0,0,0,0|1,0,0]=3 1724 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,2,0,0,0,0|1,0,0]=3 1725 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|1,0,0]=3 1726 B8R0.7 CCCCNC[N+](=O)[O-] b37a4d591c4d5c287e1ebe6ace96f684 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,2,0,0,0,0|1,0,0]=3 1728 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,2,0,0,0,0|1,0,0]=3 1729 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,2,0,0,0,0|1,0,0]=3 1730 B8R0.7 CCCCOCC(=S)N 66f00256fcd5080323facaf554f24131 [0,2,0,0,0,0|1,1,0]=4 1731 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.7 CCCCOC[N+](=O)[O-] 94b3f3bcc50279ace071168fd7298364 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|1,0,0]=3 1734 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,2,0,0,0,0|1,0,0]=3 1735 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|1,0,0]=3 1736 B8R0.7 CCCNCCC(=S)N 9bd19729128b21bf5f6ba43475b023e4 [0,2,0,0,0,0|1,1,0]=4 1737 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,2,0,0,0,0|2,0,0]=4 1740 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,2,0,0,0,0|2,0,0]=4 1741 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,2,0,0,0,0|1,0,0]=3 1742 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,2,0,0,0,0|1,0,0]=3 1743 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|1,0,0]=3 1744 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,2,0,0,0,0|2,0,0]=4 1745 B8R0.7 CCCOCC[N+](=O)[O-] 11f99b66cb4f802bc9ea03fcd4d8e421 [0,2,0,0,0,0|2,0,0]=4 1746 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,2,0,0,0,0|2,0,0]=4 1747 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,2,0,0,0,0|2,0,0]=4 1748 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,2,0,0,0,0|2,0,0]=4 1749 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,2,0,0,0,0|2,0,0]=4 1750 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,2,0,0,0,0|1,0,0]=3 1751 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|1,0,0]=3 1752 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,2,0,0,0,0|2,0,0]=4 1754 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,2,0,0,0,0|0,1,0]=3 1755 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,2,0,0,0,0|0,1,0]=3 1756 B8R0.7 CCOCCC[N+](=O)[O-] 71c6eb2b7e36ed7d09037020112f4423 [0,2,0,0,0,0|1,1,0]=4 1757 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,2,0,0,0,0|1,1,0]=4 1758 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,2,0,0,0,0|1,1,0]=4 1759 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,2,0,0,0,0|1,1,0]=4 1760 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,2,0,0,0,0|1,1,0]=4 1761 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,2,0,0,0,0|1,1,0]=4 1762 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,2,0,0,0,0|1,1,0]=4 1763 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,2,0,0,0,0|1,1,0]=4 1764 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,2,0,0,0,0|1,1,0]=4 1765 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,2,0,0,0,0|1,0,0]=3 1766 B8R0.7 CN(C)CCCNC=O 5a07256aa2b2dc2ccccdfecfcf5dd80b [0,2,0,0,0,0|1,0,0]=3 1767 B8R0.7 CN(C)CCNCC=O 29f095735c40145ed9940de03c146b31 [0,2,0,0,0,0|1,0,0]=3 1768 B8R0.7 CN(C)CCOCC=O f2f32f3186f4b25325b639bd2505a675 [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.7 CN(C)COCCC=O a90c5f93b3add179fffb905e406fd25f [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,2,0,0,0,0|0,1,0]=3 1771 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|0,1,0]=3 1772 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,2,0,0,0,0|0,1,0]=3 1773 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|0,1,0]=3 1774 B8R0.7 COCCNC[N+](=O)[O-] 6c9c36a0e0856616a148c80934d0b31f [0,2,0,0,0,0|1,1,0]=4 1775 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,2,0,0,0,0|0,1,0]=3 1776 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,2,0,0,0,0|0,1,0]=3 1777 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|0,1,0]=3 1778 B8R0.7 COCCOCC(=S)N f6b7727d398d2dd73460849d3902a55b [0,2,0,0,0,0|0,2,0]=4 1779 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,2,0,0,0,0|1,1,0]=4 1780 B8R0.7 COCCOC[N+](=O)[O-] 21fa290ed814068495c8c8fca5430a92 [0,2,0,0,0,0|1,1,0]=4 1781 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,2,0,0,0,0|0,1,0]=3 1782 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|0,1,0]=3 1783 B8R0.7 COCNCCC(=S)N dfaeaddb57f804fe439256ee90df51d4 [0,2,0,0,0,0|0,2,0]=4 1784 B8R0.7 COCNCCS(=O)C c1b03b36250a7d65845034eba40ff581 [0,2,0,0,0,0|1,1,0]=4 1785 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,2,0,0,0,0|1,1,0]=4 1786 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,2,0,0,0,0|0,1,0]=3 1787 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,2,0,0,0,0|0,1,0]=3 1788 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,2,0,0,0,0|0,1,0]=3 1789 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,2,0,0,0,0|1,1,0]=4 1790 B8R0.7 COCOCC[N+](=O)[O-] 512b5dfce6ca5c0e78383ac0e7ff10e2 [0,2,0,0,0,0|1,1,0]=4 1791 B8R0.7 COCOCNC(=O)C 312d16668782054e8a09863d487deec3 [0,2,0,0,0,0|1,1,0]=4 1792 B8R0.7 COCOCNC(=O)N 8c51aa8d583d0d6c2d56097b83e9eb7a [0,2,0,0,0,0|1,1,0]=4 1793 B8R0.7 COCOCOC(=O)C 54249d0e78c186a79ad9be3cc51e7aac [0,2,0,0,0,0|1,1,0]=4 1794 B8R0.7 COCOCSC(=O)N f4fd591d10edf01493f31a36cb5acea5 [0,2,0,0,0,0|1,1,0]=4 1795 B8R0.7 CS(=O)CCCNC=O ac978e4dec6c59820deb2d60499ba3b0 [0,2,0,0,0,0|0,0,1]=3 1796 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,2,0,0,0,0|2,0,0]=4 1797 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,2,0,0,0,0|2,0,0]=4 1798 B8R0.7 CS(=O)CCNCC=O 8c3be09abac30b1ba1881382c982061c [0,2,0,0,0,0|0,0,1]=3 1799 B8R0.7 CS(=O)CCOCC=O 29eecdac67755e86d2be2b2f45a9b6a4 [0,2,0,0,0,0|0,0,1]=3 1800 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,2,0,0,0,0|0,0,0]=2 1801 B8R0.7 CSCCCNC(C)C 6b279fd0ea31fe5ab25c2d7757b17983 [0,2,0,0,0,0|1,0,1]=4 1802 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [0,2,0,0,0,0|1,0,1]=4 1803 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|0,0,0]=2 1804 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,2,0,0,0,0|0,0,0]=2 1805 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|0,0,0]=2 1806 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,2,0,0,0,0|1,0,1]=4 1807 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,2,0,0,0,0|0,0,2]=4 1808 B8R0.7 CSCCNCC(F)F bcac50194a0f7b56b8f27f36d0f3ce16 [0,2,0,0,0,0|1,0,1]=4 1809 B8R0.7 CSCCNCN(C)C edda138cdc9bd8edfa25bc3427b1419d [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,2,0,0,0,0|0,0,2]=4 1811 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,2,0,0,0,0|0,0,2]=4 1812 B8R0.7 CSCCNC[N+](=O)[O-] 4e94b2e61054a620ea96c1c59120e88c [0,2,0,0,0,0|1,0,0]=3 1813 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|0,0,0]=2 1814 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,2,0,0,0,0|0,0,0]=2 1815 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,2,0,0,0,0|0,0,0]=2 1816 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,2,0,0,0,0|0,1,0]=3 1817 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,2,0,0,0,0|1,0,1]=4 1818 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,2,0,0,0,0|1,0,1]=4 1819 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,2,0,0,0,0|0,1,1]=4 1820 B8R0.7 CSCCOCC(F)F e98aee61b172b8e57c0b6dc807c6e22c [0,2,0,0,0,0|1,0,1]=4 1821 B8R0.7 CSCCOCN(C)C 9308692fd6962d1147703bf4247f7a7d [0,2,0,0,0,0|2,0,0]=4 1822 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,2,0,0,0,0|1,0,0]=3 1823 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,2,0,0,0,0|1,0,1]=4 1824 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,2,0,0,0,0|1,0,1]=4 1825 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,2,0,0,0,0|1,0,0]=3 1826 B8R0.7 CSCNCC=C(C)C bd33927766e98f2dd5dacc45b1e895e0 [0,2,0,0,0,0|1,0,1]=4 1827 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,2,0,0,0,0|0,0,0]=2 1828 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|0,0,0]=2 1829 B8R0.7 CSCNCCC(=S)N 07fc989e9e3a9aa655f41a9b936a37d9 [0,2,0,0,0,0|0,1,0]=3 1830 B8R0.7 CSCNCCC(C)C 1214140341214495e484e265d71b8d27 [0,2,0,0,0,0|1,0,1]=4 1831 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,2,0,0,0,0|0,0,2]=4 1832 B8R0.7 CSCNCCC(F)F 66a1efcff813c3e9ed1222e2a67e4868 [0,2,0,0,0,0|1,0,1]=4 1833 B8R0.7 CSCNCCN(C)C 9d3024d7eac1e67f9ded5bf630b1a615 [0,2,0,0,0,0|2,0,0]=4 1834 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,2,0,0,0,0|1,0,0]=3 1835 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,2,0,0,0,0|1,0,0]=3 1836 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,2,0,0,0,0|0,0,2]=4 1837 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,2,0,0,0,0|0,0,2]=4 1838 B8R0.7 CSCOC/C=C(/C)\Cl 8d77159a9471ed7fc5abfcaf1f063828 [0,2,0,0,0,0|1,0,1]=4 1839 B8R0.7 CSCOC/C=C(/C)\I f0fc199a9870d21b85403d2ccfe3954c [0,2,0,0,0,0|1,0,1]=4 1840 B8R0.7 CSCOCC=C(C)C 11fcffec5a5501fa1669666c27a89e75 [0,2,0,0,0,0|1,0,1]=4 1841 B8R0.7 CSCOCC=C(C)I 58f451f90704dfc8e77cfeb8f7eddabe [0,2,0,0,0,0|1,0,1]=4 1842 B8R0.7 CSCOCC=C(Cl)Cl a1b2e54995c24b4d0bd0e3cda8ef3970 [0,2,0,0,0,0|1,0,1]=4 1843 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|0,0,0]=2 1844 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,2,0,0,0,0|0,0,0]=2 1845 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,2,0,0,0,0|0,0,0]=2 1846 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [0,2,0,0,0,0|1,0,1]=4 1847 B8R0.7 CSCOCCC(F)F 83ce2dc8d7430cd45d5790e41750074e [0,2,0,0,0,0|1,0,1]=4 1848 B8R0.7 CSCOCCN(C)C 12c65a5bf6ef4fa41ce73a42c72404c0 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,2,0,0,0,0|1,0,0]=3 1850 B8R0.7 CSCOCC[N+](=O)[O-] a8e53e59529e1e59f22f7e8be399ce4a [0,2,0,0,0,0|1,0,0]=3 1851 B8R0.7 CSCOCNC(=O)C 30bfc52f57e4ed91a642bf8853a3d4bb [0,2,0,0,0,0|1,0,0]=3 1852 B8R0.7 CSCOCNC(=O)N e604504e4304b798bbdf3488c593e93f [0,2,0,0,0,0|1,0,0]=3 1853 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [0,2,0,0,0,0|1,0,0]=3 1854 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,2,0,0,0,0|1,0,0]=3 1855 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,2,0,0,0,0|1,0,0]=3 1856 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [0,2,0,0,0,0|1,0,0]=3 1857 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,2,0,0,0,0|1,0,0]=3 1858 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,2,0,0,0,0|1,0,0]=3 1859 B8R0.7 N#CCCNCC(=O)N 22baa5d30b3fc28c227dca0f335531a0 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.7 N#CCCOCC(=O)N b99ce03c0315cf66d8d4c6d4a3bf1d14 [0,2,0,0,0,0|2,0,0]=4 1862 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.7 N#CCNCCC(=O)N dc2c92addb1257280c2705d4f7fcbab5 [0,2,0,0,0,0|2,0,0]=4 1864 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.7 N#CCOCCC(=O)N 948f9d5fd94bc56f98e2861842051f65 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,2,0,0,0,0|2,0,0]=4 1867 B8R0.7 N#CNCCCC(=O)N ef227e040a3bcca70ffd623e61b2b8f8 [0,2,0,0,0,0|1,0,1]=4 1868 B8R0.7 N#CSCNCC(=O)N deb893d12a52a44332f8d4c7f0ff6e11 [0,2,0,0,0,0|1,0,1]=4 1869 B8R0.7 N#CSCOCC(=O)O f04eba213eb0e16424d9312cff8fec49 [0,2,0,0,0,0|1,0,1]=4 1870 B8R0.7 NC(=O)CCCNC=O 5a008bd91d929501df5e65e014bf8d35 [0,2,0,0,0,0|1,0,1]=4 1871 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,2,0,0,0,0|1,0,0]=3 1872 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,2,0,0,0,0|1,0,0]=3 1873 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,2,0,0,0,0|0,1,0]=3 1874 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,2,0,0,0,0|2,0,0]=4 1883 B8R0.7 NC(=O)CNCCC=O 388d425389a4b244bea589395eabcddd [0,2,0,0,0,0|2,0,0]=4 1884 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,2,0,0,0,0|2,0,0]=4 1885 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,2,0,0,0,0|2,0,0]=4 1886 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|2,0,0]=4 1887 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.7 NC(=O)COCCC=O a002e12bccccfe874b23b19106d1c078 [0,2,0,0,0,0|2,0,0]=4 1889 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.7 NC(=O)NCCOCF 6cf2e6129bf0181d6cd1339653610748 [0,2,0,0,0,0|1,1,0]=4 1892 B8R0.7 NC(=S)CCNCC=O 9f2567838bd63bb0e194913511ada410 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.7 NC(=S)COCCC=O 7fdbe31f4da9b7a3b902136d155d8b49 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.7 NOCCNCC(=O)N 992a9e03e4089afbd7c51b6a0a2fa2b4 [0,2,0,0,0,0|1,1,0]=4 1895 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,2,0,0,0,0|1,1,0]=4 1896 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,2,0,0,0,0|1,0,0]=3 1897 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,2,0,0,0,0|1,0,0]=3 1898 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.7 O=CCCNCC(F)F 00aa3292125883dcbd5abfb2aba15616 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.7 O=CCCOCC(F)F 3e9e6e81048071f99b0010d81f0f3255 [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.7 O=CCCOCS(=O)O 3a0ab0c4f21b2feafdd9aaf59c492e10 [0,2,0,0,0,0|1,0,1]=4 1916 B8R0.7 O=CCCOC[N+](=O)[O-] 3223a72bc659f0272da6b2180416df44 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.7 O=CCNCCC(F)F 9d1172aa9d99b0c7e63054f3e9b872fa [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [0,2,0,0,0,0|1,0,1]=4 1920 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.7 O=CCOCCC(F)F f9017dd3628f25b685f6611fcf21a34d [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.7 O=CCOCC[N+](=O)[O-] d7eae29eb2b8747d445d21a9359a32d3 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.7 O=CNCCOC(F)F d78391a3ba4fed18408178af617a8cd0 [0,2,0,0,0,0|1,1,0]=4 1924 B8R0.7 O=[N+]([O-])CCCOCF aab59e8912b4305041ba80532ecfdf2d [0,2,0,0,0,0|1,1,0]=4 1925 B8R0.3 CCC(C)C(C)NC=O 4790f87f99d2631c4d7242b87ea52752 [0,2,0,0,0,0|2,0,0]=4 1926 B8R0.3 CCC(C)N(C)CC=O 842637d179d388d97d4751c027c4a536 [0,2,0,0,0,0|2,0,0]=4 1927 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [0,2,0,0,0,0|2,0,0]=4 1928 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [0,2,0,0,0,0|2,0,0]=4 1929 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.8 CC(C)C(C)NCC=O 7480596882376427695ab906c9a7bfb0 [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,2,0,0,0,0|2,0,0]=4 1932 B8R0.8 CC(C)C(O)CNC=O 60e39351432db3e8d29156b9b9cbfea4 [0,2,0,0,0,0|2,0,0]=4 1933 B8R0.8 CC(C)N(C)CCC=O 35a1a35e01b1c9ac6c32f45a18f937cb [0,2,0,0,0,0|2,0,0]=4 1934 B8R0.8 CC(C)[C@@H](C)NCC=O fe4cca6e9187eefae56d7c7e9b333cad [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.8 CC(C)[C@H](C)NCC=O b91fe17b3c92a1482d1cf7254f00a408 [0,2,0,0,0,0|2,0,0]=4 1937 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.8 CC(CNC=O)N(C)C cf5b00de5b0d05aaa1417f75408e48c9 [0,2,0,0,0,0|2,0,0]=4 1939 B8R0.8 CC(O)C(C)NCC=O e305fe128f0a78b8ad0315156373b87a [0,2,0,0,0,0|2,0,0]=4 1940 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,2,0,0,0,0|2,0,0]=4 1941 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,2,0,0,0,0|2,0,0]=4 1942 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|2,0,0]=4 1943 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,2,0,0,0,0|2,0,0]=4 1946 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|2,0,0]=4 1947 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|2,0,0]=4 1948 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|2,0,0]=4 1950 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|2,0,0]=4 1952 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|2,0,0]=4 1953 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|2,0,0]=4 1954 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,2,0,0,0,0|2,0,0]=4 1955 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|2,0,0]=4 1956 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|2,0,0]=4 1957 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|2,0,0]=4 1958 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|2,0,0]=4 1959 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|2,0,0]=4 1960 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,2,0,0,0,0|2,0,0]=4 1961 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,2,0,0,0,0|2,0,0]=4 1962 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|2,0,0]=4 1963 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,2,0,0,0,0|2,0,0]=4 1964 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|2,0,0]=4 1968 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,2,0,0,0,0|1,1,0]=4 1971 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,2,0,0,0,0|1,1,0]=4 1972 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,2,0,0,0,0|1,1,0]=4 1973 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,2,0,0,0,0|1,1,0]=4 1974 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,2,0,0,0,0|1,1,0]=4 1975 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,2,0,0,0,0|1,1,0]=4 1976 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,2,0,0,0,0|1,1,0]=4 1977 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,2,0,0,0,0|1,1,0]=4 1978 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,2,0,0,0,0|1,1,0]=4 1979 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,2,0,0,0,0|1,1,0]=4 1980 B8R0.8 COCOC(F)C(=O)N 98a6ca63ec0ae5ce3f5f79ce7b3d2ebf [0,2,0,0,0,0|1,1,0]=4 1981 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,2,0,0,0,0|1,1,0]=4 1982 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,2,0,0,0,0|1,1,0]=4 1983 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,2,0,0,0,0|1,0,0]=3 1984 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,2,0,0,0,0|1,0,0]=3 1985 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,2,0,0,0,0|1,0,0]=3 1986 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,2,0,0,0,0|1,0,0]=3 1987 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,2,0,0,0,0|1,0,0]=3 1988 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,2,0,0,0,0|1,0,0]=3 1989 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,2,0,0,0,0|1,0,0]=3 1990 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,2,0,0,0,0|1,0,0]=3 1991 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,2,0,0,0,0|1,0,0]=3 1992 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,2,0,0,0,0|1,0,0]=3 1993 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,2,0,0,0,0|1,0,0]=3 1994 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,2,0,0,0,0|1,0,0]=3 1995 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,2,0,0,0,0|1,0,0]=3 1996 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,2,0,0,0,0|1,0,0]=3 1997 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,2,0,0,0,0|1,0,0]=3 1998 B8R0.9 C=C(C)CNC(C)C=O 6864833eef64092545ed538d146d6b7a [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.9 C=C(C)CN[C@H](C)C=O 869deecf92e107378a085fd913f387a7 [0,2,0,0,0,0|2,0,0]=4 2000 B8R0.9 C=C(C)COC(C)C=O 9a3c8d62bdd90bdd5827ca99b4ce4ab3 [0,2,0,0,0,0|2,0,0]=4 2001 B8R0.9 C=C(C)CO[C@H](C)C=O 9a4354173e487f7f7b1622a2df7e3a75 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,2,0,0,0,0|2,0,0]=4 2011 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [0,2,0,0,0,0|2,0,0]=4 2013 B8R0.9 CC(C=O)OCN(C)C 4dc03f8644dc120ddbe18940ad718344 [0,2,0,0,0,0|2,0,0]=4 2014 B8R0.9 CC(C=O)OC[C@@H](C)F 44348d98ecea104d30821f34423bd4e0 [0,2,0,0,0,0|2,0,0]=4 2015 B8R0.9 CC(C=O)OC[C@H](C)F 9637178c90bdbe6a1061955c6d3c749b [0,2,0,0,0,0|2,0,0]=4 2016 B8R0.9 CC(F)COC(C)C=O a88f9eb602b828f938892defccbfe947 [0,2,0,0,0,0|2,0,0]=4 2017 B8R0.9 CC(F)CO[C@H](C)C=O ab2b879912e041805a15c42eb98ff36e [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [0,2,0,0,0,0|2,0,0]=4 2020 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.9 CC(S)COC(C)C=O 3be1d5c17e9ab7f7a6674fa02b1f8eb9 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.9 CC(S)CO[C@H](C)C=O 6171e06cfb5a5db48bbba1b7f4375842 [0,2,0,0,0,0|2,0,0]=4 2023 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|2,0,0]=4 2026 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|2,0,0]=4 2027 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|2,0,0]=4 2041 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|2,0,0]=4 2042 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|2,0,0]=4 2043 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.9 CN(C)CCN(C)C=O b34edb31e570d3653e5ff795502442ff [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,2,0,0,0,0|1,1,0]=4 2046 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,2,0,0,0,0|1,1,0]=4 2047 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [0,2,0,0,0,0|2,0,0]=4 2048 B8R0.9 C[C@H](C=O)OC[C@@H](C)F 1f5893c2e9eac3fefa5fe404e93fe70a [0,2,0,0,0,0|2,0,0]=4 2049 B8R0.9 C[C@H](F)CO[C@H](C)C=O 02995616d1e99566d5726c66b80d922d [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.11 C#CC(C=C)OCSC 5ac63bed14acf9d4302d27508fd8b8c6 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.11 C#CC(CC)OCC=O 6fefb61edd2e8e2475e58f9b91cf6195 [0,2,0,0,0,0|2,0,0]=4 2053 B8R0.11 C=CC(C=C)OCSC 26192961af28ce70a8cc356e931c2a5b [0,2,0,0,0,0|2,0,0]=4 2054 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.11 C=CC(CC)OCSC 8ad41cd97e56cb5ea78fa59e1c98869b [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.11 C=C[C@@H](CO)NCSC de61dd601a1d75bc767e90a7378569d3 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.11 CCC(C#N)OCC=O 251eab7b5166001569a0759e3e518cd8 [0,2,0,0,0,0|2,0,0]=4 2058 B8R0.11 CCC(C=O)OCOC fda93f4e64fa70de9b1ea0e38d5ee013 [0,2,0,0,0,0|1,1,0]=4 2059 B8R0.11 CCC(CC)CNC=O 0da79cf943d9a8666a9700a2e2e9d7c2 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.11 CCC(CC)NCC=O 66280cf687d8bf89fcc5bb7b86c23426 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.11 CCC(CC)OCC=O f1bfaa22ce246d2b20a4566127462c21 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.11 CCC(CO)CNC=O c5363c7642167dc42bef36aeb0412d90 [0,2,0,0,0,0|2,0,0]=4 2063 B8R0.11 CCC(CO)NCC=O 36b8c180c423d05a287bbf37daf06e14 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,2,0,0,0,0|2,0,0]=4 2065 B8R0.11 CCCNC(C#N)C=O bb6eeeeb0f4e88a5ae86d21120ed4af3 [0,2,0,0,0,0|2,0,0]=4 2066 B8R0.11 CCCNC(C=O)C=O 61c64ea3c5c386d29c1c97169c33ddfe [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,2,0,0,0,0|2,0,0]=4 2068 B8R0.11 CCCOC(C=O)C=O 07af7786a553a96d7cd2f6465c693e9f [0,2,0,0,0,0|2,0,0]=4 2069 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,2,0,0,0,0|1,1,0]=4 2071 B8R0.11 CC[C@@H](CO)NCC=O 10f83f8629097d9496f09b4be9046d3f [0,2,0,0,0,0|2,0,0]=4 2072 B8R0.11 CC[C@H](CO)NCC=O e160cd29fcd44c5f7399de9cf9ca258f [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.11 COC(CNC=O)OC 0c38a158842ed7f3880c5c5bbd35734f [0,2,0,0,0,0|1,1,0]=4 2074 B8R0.11 COCOC(C=O)C=O aa3f30c65a64948503232416341946a8 [0,2,0,0,0,0|1,1,0]=4 2075 B8R0.11 CO[C@@H](CO)CNC=O 8a7cda371cd7c58b3d3d3a1f3b98c540 [0,2,0,0,0,0|1,1,0]=4 2076 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,2,0,0,0,0|2,0,0]=4 2079 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.19 CCC(O)CN(C)C=O a5ca11d122e7bb722666ea345a9e6e66 [0,2,0,0,0,0|2,0,0]=4 2081 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,2,0,0,0,0|2,0,0]=4 2082 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,2,0,0,0,0|2,0,0]=4 2084 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,2,0,0,0,0|2,0,0]=4 2087 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,2,0,0,0,0|2,0,0]=4 2088 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,2,0,0,0,0|2,0,0]=4 2089 B8R0.25 CCC(C)(C)CNC=O bfe9719bdf7704885d6bfbc86c30f02f [0,2,0,0,0,0|2,0,0]=4 2090 B8R0.25 CCC(C)(C)NCC=O aa9ffe26ec7f03a9fb85bbb0f3a65039 [0,2,0,0,0,0|2,0,0]=4 2091 B8R0.25 CCC(C)(O)CNC=O 9e4389f6bd3420fa20ce5c3bc35a06da [0,2,0,0,0,0|2,0,0]=4 2092 B8R0.25 CCOCC(C)(C)C=O afc3613500561350cd2dee2c25c83151 [0,2,0,0,0,0|2,0,0]=4 2093 B8R0.25 COC(C)(C)CNC=O accad4ec9dde386589aca608b0787b60 [0,2,0,0,0,0|1,1,0]=4 2094 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.5 CC(C)CN(C)CC=O 59dafc928f01f7d2bba86fd3699f3b41 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.5 CC(CN(C)C)NC=O 0421ece4ecef12595309d8230b303423 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.5 CC(O)CC(C)NC=O 76dc14d6eeea3df57c426497eec6d958 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.5 CC(O)CN(C)CC=O de7f5657d95f25cf3dc2f58b768af66b [0,2,0,0,0,0|2,0,0]=4 2099 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|2,0,0]=4 2100 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|2,0,0]=4 2101 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|2,0,0]=4 2102 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|2,0,0]=4 2103 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|2,0,0]=4 2104 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|2,0,0]=4 2105 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|2,0,0]=4 2107 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|2,0,0]=4 2108 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|2,0,0]=4 2109 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,2,0,0,0,0|1,1,0]=4 2111 B8R0.5 COCN(C)CC(=O)N 883b5fd21ac0fa4c080e391aedf41537 [0,2,0,0,0,0|1,1,0]=4 2112 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,2,0,0,0,0|1,1,0]=4 2113 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,2,0,0,0,0|1,1,0]=4 2114 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,2,0,0,0,0|1,1,0]=4 2115 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,2,0,0,0,0|1,0,0]=3 2116 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,2,0,0,0,0|1,0,0]=3 2117 B8R0.5 C[C@@H](CN(C)C)NC=O c7c79254df6def27ef135d659a9a7575 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.5 C[C@H](CN(C)C)NC=O 5141e7462b522924fc32f48778373e41 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.5 C[C@H](O)CN(C)CC=O 1ad8d34f6cccdcc35daf414f3197a578 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.21 CC(C)(Br)COCC=O 0c1d7c5166ed98b5f925ae9d138c137a [0,2,0,0,0,0|2,0,0]=4 2121 B8R0.21 CC(C)(C)CCNC=O 10d181a0403fdc263c049f7950d09c8a [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.21 CC(C)(C)CNCC=O 3ad1cf51e607a6beac30c83baeb36c0f [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.21 CC(C)(C)COCC=O 452032ec8ec1169c65301506a57f3400 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.21 CC(C)(C)NCCC=O 55ce68401173f98bc7370dc4d84bf683 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.21 CC(C)(F)CCNC=O 580d97cb09a7af4eedc84d8d9c23039e [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.21 CC(C)(F)COCC=O 96a4f5d42c2e2aa743757d961ea002d5 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.21 CC(C)(O)CCNC=O 8086b4eda3a3ff1c39b6ec114b66fce7 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.21 CC(C)(O)CNCC=O 0b6f9a66e3da10f9fae74e8313e10a67 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.21 CC(C)(S)COCC=O 355fa4dd8d31fd881acfc2d6f070cec6 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.21 CC(F)(F)CNCC=O 5505656e38c31e6e13c2758ae512a321 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.21 CC(F)(F)COCC=O a6db49236bb9c0551f5dff8c96bf606b [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.21 CS(=O)(=O)CCNC=O 76c43e69d929bcf166b68b79b93ac3fc [0,2,0,0,0,0|1,0,1]=4 2133 B8R0.21 CSCNCS(=O)(=O)O 62363713e894550100cea6b057608371 [0,2,0,0,0,0|2,0,0]=4 2134 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [0,2,0,0,0,0|2,0,0]=4 2137 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,2,0,0,0,0|2,0,0]=4 2138 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [0,2,0,0,0,0|2,0,0]=4 2139 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [0,2,0,0,0,0|2,0,0]=4 2140 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.28 CC(=O)NCCS(=O)C f793348c68f8cf140d26df72f9958533 [0,2,0,0,0,0|1,0,1]=4 2158 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|2,0,0]=4 2162 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,2,0,0,0,0|2,0,0]=4 2166 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,2,0,0,0,0|2,0,0]=4 2167 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,2,0,0,0,0|2,0,0]=4 2169 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,2,0,0,0,0|2,0,0]=4 2170 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,2,0,0,0,0|2,0,0]=4 2171 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,2,0,0,0,0|2,0,0]=4 2177 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,2,0,0,0,0|2,0,0]=4 2181 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.22 C=CCN(C#N)CSC 5a8cdc653c4183daeaa4c53007816e86 [0,2,0,0,0,0|2,0,0]=4 2187 B8R0.22 CCC(COC)NC=O 53905710bc62d6f533f443331f56e2bc [0,2,0,0,0,0|1,1,0]=4 2188 B8R0.22 CCCC(CO)NC=O 41f5afc0296d6847bc820d8afc2b5787 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,2,0,0,0,0|2,0,0]=4 2190 B8R0.22 CCC[C@@H](CO)NC=O 3c94a70b3970ecaf12f548b2138bdede [0,2,0,0,0,0|2,0,0]=4 2191 B8R0.22 CCC[C@H](CO)NC=O 930af0e5fd8674584b8a8514e2d4657f [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.22 COCC(CO)NC=O 7cb927b980bd90d760ca02f17ab63be0 [0,2,0,0,0,0|1,1,0]=4 2193 B8R0.22 CSCC(CO)NC=O dbcc07b4bda20d44a07ec89880e75884 [0,2,0,0,0,0|1,0,0]=3 2194 B8R0.30 COCC(C)(C)NC=O bc842487dd6105675988088f36c24b44 [0,2,0,0,0,0|1,1,0]=4 2195 B8R0.30 CSCC(C)(C)NC=O 6a2b278b615a8d3027c03a5b693d9473 [0,2,0,0,0,0|1,0,0]=3 2196 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [1,0,0,1,0,0|1,0,0]=3 2197 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|1,0,0]=3 2198 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,1,0,1,0,0|1,0,1]=4 2199 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,1,0,1,0,0|1,0,1]=4 2200 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,1,0,0|1,0,1]=4 2201 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,1,0,0|0,1,0]=3 2202 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,1,0,0|0,0,0]=2 2203 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,1,0,0|1,1,0]=4 2204 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,1,0,0|1,0,0]=3 2205 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,1,0,0|0,0,2]=4 2206 B8R1.8 C#CCN1CCSC1 a2598ea4e9dc91a277db96029979054c [0,1,0,1,0,0|1,0,1]=4 2207 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,1,0,1,0,0|1,0,0]=3 2208 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,1,0,1,0,0|1,0,1]=4 2209 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,1,0,1,0,0|1,0,1]=4 2210 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,1,0,1,0,0|1,1,0]=4 2211 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,1,0,1,0,0|1,0,1]=4 2212 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,1,0,1,0,0|1,0,1]=4 2213 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,1,0,1,0,0|1,0,1]=4 2214 B8R1.8 COCN1CCSC1 1354a17cb52202250a85ab8a0568af11 [0,1,0,1,0,0|2,0,0]=4 2215 B8R1.8 CSCN1CC=CC1 bf24d8e5e82ec3c30bb01a4e9def2061 [0,1,0,1,0,0|1,0,1]=4 2216 B8R1.8 CSCN1CCSC1 9d3e3abde80ce9a8a19b07ba88ce837b [0,1,0,1,0,0|2,0,0]=4 2217 B8R1.8 FCCN1CCSC1 6af16dfa6898a2480480632ee8bf7317 [0,1,0,1,0,0|1,0,1]=4 2218 B8R1.8 FCNC1CCSC1 37f1dd3a90121407b902e1f5d50fa4ed [0,1,0,1,0,0|1,0,1]=4 2219 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,1,0,1,0,0|1,1,0]=4 2220 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,1,0,1,0,0|1,0,1]=4 2221 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,1,0,1,0,0|1,0,1]=4 2222 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,1,0,1,0,0|1,0,1]=4 2223 B8R1.8 N#CCN1CCSC1 01cfcb44ad21c4f3af06ec93ded0b82d [0,1,0,1,0,0|1,0,1]=4 2224 B8R1.8 O=CCN1CC=CC1 c78c62756437a2f5c6a0f43870adfa5c [0,1,0,1,0,0|1,0,1]=4 2225 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,1,0,1,0,0|0,0,0]=2 2226 B8R1.8 O=CNC1CC=CC1 19ecdde8cbf64eb0bd156ac46c4fa7d5 [0,1,0,1,0,0|1,0,1]=4 2227 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,1,0,1,0,0|1,0,0]=3 2228 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,1,0,1,0,0|0,1,0]=3 2229 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,1,0,1,0,0|0,0,0]=2 2230 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,1,0,1,0,0|0,1,0]=3 2231 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,1,0,1,0,0|0,1,0]=3 2232 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,1,0,1,0,0|0,0,2]=4 2233 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,1,0,1,0,0|0,0,2]=4 2234 B8R1.8 SCCN1CCSC1 f1d337fb2e1392cc6e55ab3e453d1142 [0,1,0,1,0,0|0,1,1]=4 2235 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,1,0,1,0,0|1,1,0]=4 2236 B8R1.9 C=C1CC1COCF 2ec32cf386c3f6aa6cd63403e7b0f2a1 [0,1,0,1,0,0|1,1,0]=4 2237 B8R1.9 C=CCNC1CC1C b0ff888915c2d21b161d67161a001a2b [0,1,0,1,0,0|2,0,0]=4 2238 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [0,1,0,1,0,0|1,0,0]=3 2239 B8R1.9 CSCNC1CC1C e4fd3f89886322c39de9fa962cb3d0cb [0,1,0,1,0,0|1,0,1]=4 2240 B8R1.9 CSCN[C@@H]1C[C@H]1F 91b7b35ad04803309a91dafcb82ce8cb [0,1,0,1,0,0|1,0,1]=4 2241 B8R1.9 CSCN[C@H]1C[C@@H]1F df5673e2b6cdf29d2dc7fcc660d6debd [0,1,0,1,0,0|1,0,1]=4 2242 B8R1.9 CSCN[C@H]1C[C@H]1F 2aa88f56e487ff9ed3d9c7df5a721b8c [0,1,0,1,0,0|1,0,1]=4 2243 B8R1.9 O=CCN[C@@H]1C[C@H]1F 1b30ed4a609cd2619bcd787e45fd7f37 [0,1,0,1,0,0|2,0,0]=4 2244 B8R1.9 O=CCN[C@H]1C[C@@H]1F a1495db808f21a1e52da1e1d9590d29a [0,1,0,1,0,0|2,0,0]=4 2245 B8R1.9 O=CCN[C@H]1C[C@H]1F 317579e6fc51976ad113a70571610a12 [0,1,0,1,0,0|2,0,0]=4 2246 B8R1.10 C#CCOC1CSC1 dff1b983e1987eecf3f1c8335d44b9db [0,1,0,1,0,0|1,0,1]=4 2247 B8R1.10 C=CCCN1CCC1 90ae1a1b6d98a52229ff5334995e0ff1 [0,1,0,1,0,0|2,0,0]=4 2248 B8R1.10 C=CCNC1CCC1 f7b1e125826a8d6464115b8b7cff4769 [0,1,0,1,0,0|2,0,0]=4 2249 B8R1.10 C=CCNC1COC1 71e6907bac04313c632066cdd8a7e800 [0,1,0,1,0,0|1,1,0]=4 2250 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,1,0,1,0,0|2,0,0]=4 2251 B8R1.10 C=CCOC1COC1 2069a7755978e3f7b09e83a42998a20a [0,1,0,1,0,0|1,1,0]=4 2252 B8R1.10 C=CCOC1CSC1 f9945720f7cf937be161007b8184ef93 [0,1,0,1,0,0|1,0,0]=3 2253 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [0,1,0,1,0,0|1,0,1]=4 2254 B8R1.10 CCOCC1CSC1 e23c247dcc48d2cce0b10a2474f2de8e [0,1,0,1,0,0|1,0,1]=4 2255 B8R1.10 COCOC1CSC1 3a7023cfcbeb3915a31ea625c2263553 [0,1,0,1,0,0|2,0,0]=4 2256 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,1,0,1,0,0|1,0,1]=4 2257 B8R1.10 CSCNC1CCC1 c72115a2c84945505d84748916218b75 [0,1,0,1,0,0|1,0,1]=4 2258 B8R1.10 CSCNC1COC1 11a5c4a214a3b9569eae8602545a91f2 [0,1,0,1,0,0|2,0,0]=4 2259 B8R1.10 CSCOC1CCC1 9e9206e1e63ba2bb085e78defc972ddf [0,1,0,1,0,0|1,0,1]=4 2260 B8R1.10 CSCOC1COC1 bad826ea3fce66d58dedf86028baf9c9 [0,1,0,1,0,0|2,0,0]=4 2261 B8R1.10 CSCOC1CSC1 ba54f3d1f51182eabdc1c4c807c54025 [0,1,0,1,0,0|2,0,0]=4 2262 B8R1.10 FCCOC1CSC1 123c343bbb74be4a63e52d10d794a076 [0,1,0,1,0,0|1,0,1]=4 2263 B8R1.10 FCOCC1CSC1 78bf129cdaf664ee3dd13bd310751f7d [0,1,0,1,0,0|1,0,1]=4 2264 B8R1.10 N#CCOC1CSC1 bb1a80cc9ad418be8555da6c1fde635b [0,1,0,1,0,0|1,0,1]=4 2265 B8R1.10 O=CCCN1CCC1 8fc22dace4a53f5fd2e5bf24e18f5eea [0,1,0,1,0,0|1,0,0]=3 2266 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,1,0,1,0,0|1,0,0]=3 2267 B8R1.10 O=CCNC1COC1 1d6ece322c89f3d7cc823190a32662af [0,1,0,1,0,0|0,1,0]=3 2268 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,1,0,1,0,0|1,0,0]=3 2269 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,1,0,1,0,0|0,1,0]=3 2270 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,1,0,1,0,0|0,0,0]=2 2271 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,1,0,1,0,0|1,0,0]=3 2272 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,1,0,1,0,0|1,1,0]=4 2273 B8R1.10 O=CNCC1COC1 d484a9f6109f51ef1467473a4d9493ff [0,1,0,1,0,0|0,1,0]=3 2274 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,1,0,1,0,0|1,1,0]=4 2275 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,1,0,1,0,0|1,1,0]=4 2276 B8R1.10 SCCOC1CSC1 7d5c0251f0ddff991dd09bbf90450b75 [0,1,0,1,0,0|0,1,1]=4 2277 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,1,0,0|1,0,0]=3 2278 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,1,0,1,0,0|1,0,0]=3 2279 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,1,0,0|1,0,0]=3 2280 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,1,0,0|1,0,0]=3 2281 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,1,0,1,0,0|2,0,0]=4 2282 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,1,0,1,0,0|1,0,0]=3 2283 B8R1.12 O=CN1CCC1CO edd971460a08454ceeb6be017da9f618 [0,1,0,1,0,0|2,0,0]=4 2284 B8R1.12 O=CN1CC[C@@H]1CO ce19f0bce3454d05cb7c121458132ef7 [0,1,0,1,0,0|2,0,0]=4 2285 B8R1.12 O=CN1CC[C@H]1CO e22630134adf9d5eaa8ff5bdd2c4924a [0,1,0,1,0,0|2,0,0]=4 2286 B8R1.13 CC1OCC1NC=O f9b5eeed2f9956371d02a0585d89de6e [0,1,0,1,0,0|1,1,0]=4 2287 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,1,0,0|2,0,0]=4 2288 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|0,1,0]=3 2289 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,1,0,1,0,0|1,0,0]=3 2290 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,1,0,1,0,0|1,0,0]=3 2291 B8R1.13 N#CNC1CCC1=O 6fef62f5b6597e2c0a9f8080852ec84e [0,1,0,1,0,0|1,0,1]=4 2292 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,1,0,1,0,0|0,1,0]=3 2293 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,1,0,1,0,0|2,0,0]=4 2294 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,1,0,1,0,0|2,0,0]=4 2295 B8R1.13 O=CNC1CCC1F e99322470d72654c68e8cc3b0db230df [0,1,0,1,0,0|2,0,0]=4 2296 B8R1.13 O=CNC1CCC1O 77e73a0cb4e5ad431641f250066379fd [0,1,0,1,0,0|2,0,0]=4 2297 B8R1.13 O=CN[C@@H]1CC[C@@H]1O 9be330af07ef7a68a61722f62097919e [0,1,0,1,0,0|2,0,0]=4 2298 B8R1.13 O=CN[C@@H]1CC[C@H]1O a74500781f0881ab291899b8727dffc0 [0,1,0,1,0,0|2,0,0]=4 2299 B8R1.13 O=CN[C@H]1CC[C@@H]1O f6c564b97b260290e49358d20aaec1a0 [0,1,0,1,0,0|2,0,0]=4 2300 B8R1.13 O=CN[C@H]1CC[C@H]1O 126bd3309ad6ca2ddfb41ff376dce6e2 [0,1,0,1,0,0|2,0,0]=4 2301 B8R1.17 CO[C@H]1C[C@H]1NC=O 1b79bd8913fb3b88422ac4c515f2fdfc [0,1,0,1,0,0|0,1,0]=3 2302 B8R1.17 N#CNC1CC1C=O e7a395fa867919643746888c9e72409f [0,1,0,1,0,0|1,0,1]=4 2303 B8R1.17 O=CN[C@@H]1C[C@H]1CO 10a8417564f04103fe2c352e0df4f7b1 [0,1,0,1,0,0|2,0,0]=4 2304 B8R1.17 O=CN[C@H]1C[C@@H]1CO fcec26220579a84c0c9bdf6d03f8b348 [0,1,0,1,0,0|2,0,0]=4 2305 B8R1.17 O=CN[C@H]1C[C@H]1CO ea8cc98580a13b71ee31b79f516fe4f2 [0,1,0,1,0,0|2,0,0]=4 2306 B8R1.36 C=CCCNC1CC1 b8af55f20970d1f1dc53b7e019b02470 [0,1,0,1,0,0|2,0,0]=4 2307 B8R1.36 C=CCCOC1CC1 622d5e6791ce97e84bbc7a97a3048372 [0,1,0,1,0,0|2,0,0]=4 2308 B8R1.36 C=CCNCC1CC1 d574a4997f534ed53b974c2012f0d8e6 [0,1,0,1,0,0|2,0,0]=4 2309 B8R1.36 C=CCOCC1CC1 f479c640d2485abdcaf0be1cb3ece5ee [0,1,0,1,0,0|2,0,0]=4 2310 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,1,0,1,0,0|1,0,1]=4 2311 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,1,0,1,0,0|1,0,1]=4 2312 B8R1.36 CSCNCC1CC1 e820dcd23892d88756ec200e8c7e2a66 [0,1,0,1,0,0|1,0,1]=4 2313 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [0,1,0,1,0,0|1,0,1]=4 2314 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [0,1,0,1,0,0|1,0,0]=3 2315 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [0,1,0,1,0,0|1,0,0]=3 2316 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [0,1,0,1,0,0|1,0,0]=3 2317 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [0,1,0,1,0,0|1,0,0]=3 2318 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [0,1,0,1,0,0|1,0,0]=3 2319 B8R1.36 O=CNCCN1CC1 188c39e271fc235da7afbcf399854612 [0,1,0,1,0,0|2,0,0]=4 2320 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,1,0,1,0,0|2,0,0]=4 2321 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,1,0,1,0,0|2,0,0]=4 2322 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [0,1,0,1,0,0|2,0,0]=4 2323 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [0,1,0,1,0,0|2,0,0]=4 2324 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [0,1,0,1,0,0|2,0,0]=4 2325 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [0,1,0,1,0,0|2,0,0]=4 2326 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [0,1,0,1,0,0|2,0,0]=4 2327 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [0,1,0,1,0,0|2,0,0]=4 2328 B8R1.38 CC(C=O)N1CCC1 b3b552e7b160cd5acb51c776f72f7634 [0,1,0,1,0,0|2,0,0]=4 2329 B8R1.38 CN(C=O)C1COC1 7c9579a57c4ff25a2f8e7414113d1969 [0,1,0,1,0,0|1,1,0]=4 2330 B8R1.38 C[C@H](C=O)N1CCC1 92650f4896a859e9500741deb7ae1705 [0,1,0,1,0,0|2,0,0]=4 2331 B8R1.40 CC(C=O)NC1CC1 691e0889ed251bf8aa7c3b68c5df0349 [0,1,0,1,0,0|2,0,0]=4 2332 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [0,1,0,1,0,0|2,0,0]=4 2333 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [0,1,0,1,0,0|2,0,0]=4 2334 B8R1.40 C[C@H](C=O)NC1CC1 b2dc22049a6d22620bf79363de94a32e [0,1,0,1,0,0|2,0,0]=4 2335 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [0,1,0,1,0,0|2,0,0]=4 2336 B8R1.41 CC1(CC1)NCC=O 789ed2365d3b2b60268410f6763ad79b [0,1,0,1,0,0|2,0,0]=4 2337 B8R1.41 O=CNCC1(CC1)F 871b8e362c3da0fdce3d8e0abaca9a31 [0,1,0,1,0,0|2,0,0]=4 2338 B8R1.41 O=CNCC1(CC1)O 026bf04773c1cd53998b7f56de6bf467 [0,1,0,1,0,0|2,0,0]=4 2339 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [0,1,0,1,0,0|2,0,0]=4 2340 B8R1.47 COC1CN(C1)C=O 6ae02e7371cb34231d2c8b7c1761233f [0,1,0,1,0,0|1,1,0]=4 2341 B8R1.47 CSC1CN(C1)C=O 3e599a49c3beebe60d5d28a097e005b4 [0,1,0,1,0,0|1,0,0]=3 2342 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,1,0,0|2,0,0]=4 2343 B8R1.6 CN1CC(C1)NC=O 2bb9fe7b14eef0f45302baaf417a686a [0,1,0,1,0,0|2,0,0]=4 2344 B8R1.6 O=CCN1CC(C1)F 7167532f6af44ef8118ab6a0997eb38b [0,1,0,1,0,0|2,0,0]=4 2345 B8R1.6 O=CCN1CC(C1)O 05c491e4c8809ba1f982b958ba6277d0 [0,1,0,1,0,0|2,0,0]=4 2346 B8R1.6 O=CNC1CC(C1)O 0f0e219872cea0d90b55ea99cc9bac7d [0,1,0,1,0,0|2,0,0]=4 2347 B8R1.6 O=CN[C@H]1C[C@@H](C1)O 997cc39f2c608872229bb298dcf4a06f [0,1,0,1,0,0|2,0,0]=4 2348 B8R1.6 O=CN[C@H]1C[C@H](C1)O 66b7baee91e54b401401d333ec9a6247 [0,1,0,1,0,0|2,0,0]=4 2349 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,1,0,1,0,0|1,0,0]=3 2350 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,1,0,1,0,0|2,0,0]=4 2351 B8R1.27 CC1(CC1NC=O)C 1eba7b19977ef6314debf1d7d2b38b51 [0,1,0,1,0,0|2,0,0]=4 2352 B8R1.27 CC1(CN1CC=O)C 079c8663ebf5941900323baa2b372da1 [0,1,0,1,0,0|2,0,0]=4 2353 B8R1.27 CC1(C[C@@H]1NC=O)C 4c0edb90401b625188d015207fc18655 [0,1,0,1,0,0|2,0,0]=4 2354 B8R1.27 CC1(C[C@H]1NC=O)C ccea647979ee4862d824980bf0f41c3e [0,1,0,1,0,0|2,0,0]=4 2355 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,1,0,0|2,0,0]=4 2356 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,1,0,1,0,0|1,1,0]=4 2357 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|2,0,0]=4 2358 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|2,0,0]=4 2359 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,1,0,1,0,0|2,0,0]=4 2360 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,1,0,1,0,0|2,0,0]=4 2361 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,1,0,1,0,0|2,0,0]=4 2362 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,1,0,1,0,0|2,0,0]=4 2363 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,1,0,1,0,0|2,0,0]=4 2364 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|2,0,0]=4 2365 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,1,0,1,0,0|2,0,0]=4 2366 B8R1.16 CC1CC(N1C=O)C 68c6aa262d7808ae64f1cc90fbae1b29 [0,1,0,1,0,0|2,0,0]=4 2367 B8R1.16 C[C@@H]1C[C@@H](N1C=O)C 860cbeb088034e7b4fcbfe6227656475 [0,1,0,1,0,0|2,0,0]=4 2368 B8R1.16 C[C@@H]1C[C@H](N1C=O)C a942dc7508eed2df043adb56af93c0ca [0,1,0,1,0,0|2,0,0]=4 2369 B8R1.16 C[C@H]1C[C@@H](N1C=O)C e7d0a04d7866353e7bd9f9d9825a0417 [0,1,0,1,0,0|2,0,0]=4 2370 B8R1.37 CN(CC=O)C1CC1 da61bbfc7021687d89d59d54bd0f05ba [0,1,0,1,0,0|2,0,0]=4 2371 B8R1.37 C[C@@H](NC=O)C1CC1 6df7776a8a6084e948c30aaa6bcc8106 [0,1,0,1,0,0|2,0,0]=4 2372 B8R1.37 C[C@H](NC=O)C1CC1 a44318147b26c551e56d43565edc198d [0,1,0,1,0,0|2,0,0]=4 2373 B8R1.66 CC1(CCC1)NC=O c4f5dcbe0c8abcae670d3c633c591542 [0,1,0,1,0,0|2,0,0]=4 2374 B8R1.66 CC1(CSC1)NC=O ac457225714b1c6c4a8f7f67f00588e6 [0,1,0,1,0,0|1,0,0]=3