0 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCNCF bfc0c02c7c41c8e1c322ec2ca3617d4b [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCNCO f58b07d7d9bd44c0ad51ba7b834634f8 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCCOCF e5402a79d25f6b3b1ad2455faba59ce3 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C#CCNCCBr ccd519e4e57e01a23fbf243cb150f841 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C#CCNCCF ec678ba5f3a75a9139f485060c9fcb1f [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 C#CCNCCI dd31821af2502a2e5f32f9d52e751526 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 C#CCNCCO 124dd796c248fbe494ff9cd7edce009d [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 C#CCNCCS 46750995e1363421f0e6d401dbd0285f [0,0,0,0,0,0|2,1,1]=4 11 B6R0.6 C#CCNCOC 731060b1cc2efa280089844c9f08cb4b [0,0,0,0,0,0|2,1,1]=4 12 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C#CCOCCF c62af05f9a9be4d9caeeb1a076d989b5 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCOCCS cdf5f7a6749fed2dbb996236fcf00c58 [0,0,0,0,0,0|2,1,1]=4 16 B6R0.6 C#CCOCOC 8c9553a6f766e25bc5c8f801bbc89cc1 [0,0,0,0,0,0|2,1,1]=4 17 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [0,0,0,0,0,0|3,0,1]=4 22 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,0,0,0,0|3,0,1]=4 26 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,0,0,0,0,0|3,0,1]=4 28 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,0,0,0,0|2,0,1]=3 32 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,0,0,0,0,0|2,1,1]=4 33 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,0,0,0,0,0|2,1,1]=4 36 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,0,0,0,0,0|2,1,1]=4 37 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 CC#CCNCF d261a03a247a2bed60b290348bc27dc3 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 CC#CCNCO 34948e879985eaf79856b03117770558 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 CC#CCOCF 48d683a32721d3bca47297be0791e472 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,0,0,0,0|2,0,2]=4 49 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,0,0,0,0|3,0,0]=3 53 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,0,0,0,0|3,0,0]=3 57 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,0,0,0,0|2,1,0]=3 62 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,0,0,0,0|2,1,0]=3 63 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,0,0,0,0|3,0,1]=4 65 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,0,0,0,0|3,0,0]=3 67 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,0,0,0,0|3,0,0]=3 68 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,0,0,0,0|2,1,0]=3 69 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,0,0,0,0|2,1,0]=3 70 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,0,0,0,0|2,0,0]=2 71 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,0,0,0,0|3,0,1]=4 72 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,0,0,0,0|3,0,0]=3 73 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,0,0,0,0|2,1,0]=3 75 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,0,0,0,0|3,1,0]=4 76 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,0,0,0,0|2,0,0]=2 77 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,0,0,0,0|2,0,2]=4 79 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,0,0,0,0|3,0,0]=3 80 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,0,0,0,0|2,1,0]=3 81 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,0,0,0,0|2,1,0]=3 82 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,0,0,0,0|2,0,0]=2 83 B6R0.6 COCCNC#N c7f53ce2573b022a6239a28d1a5e471a [0,0,0,0,0,0|2,1,1]=4 84 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,0,0,0,0,0|1,1,2]=4 85 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [0,0,0,0,0,0|2,1,0]=3 86 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,0,0,0,0,0|1,1,0]=2 87 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [0,0,0,0,0,0|2,1,0]=3 88 B6R0.6 COCNCC#N d7534ed2d124b74839dfe7c51cb3eb01 [0,0,0,0,0,0|2,1,1]=4 89 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,0,0,0,0,0|2,1,0]=3 90 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,0,0,0,0,0|2,1,0]=3 91 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,0,0,0,0,0|2,1,0]=3 92 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,0,0,0,0,0|1,1,0]=2 93 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,0,0,0,0,0|1,2,0]=3 94 B6R0.6 COCOCC#N 764be25d1fe6d7509c53a5289ba9b4c6 [0,0,0,0,0,0|2,1,1]=4 95 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,0,0,0,0|1,1,2]=4 96 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,0,0,0,0,0|2,1,0]=3 97 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,0,0,0,0,0|1,2,0]=3 98 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [0,0,0,0,0,0|3,1,0]=4 99 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,0,0,0,0|1,0,2]=3 102 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,0,0,0,0,0|1,0,0]=1 104 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [0,0,0,0,0,0|2,0,1]=3 106 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,0,0,0,0,0|2,0,0]=2 107 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,0,0,0,0,0|2,0,0]=2 108 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,0,0,0,0,0|2,0,0]=2 109 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,0,0,0,0,0|1,0,0]=1 110 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,0,0,0,0,0|1,1,0]=2 111 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,0,0,0,0,0|2,0,0]=2 113 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,0,0,0,0,0|1,1,0]=2 114 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,0,0,0,0,0|4,0,0]=4 115 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [0,0,0,0,0,0|4,0,0]=4 116 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [0,0,0,0,0,0|3,1,0]=4 119 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [0,0,0,0,0,0|4,0,0]=4 120 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [0,0,0,0,0,0|3,1,0]=4 121 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [0,0,0,0,0,0|4,0,0]=4 122 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,0,0,0,0,0|3,1,0]=4 123 B6R0.6 N#CCCNCF ad2bd287dcd35fb96f7e3b50872150dd [0,0,0,0,0,0|4,0,0]=4 124 B6R0.6 N#CCCNCO f13d0ed253562d12e073016f87b36d51 [0,0,0,0,0,0|3,0,0]=3 125 B6R0.6 N#CCCOCF ad9f2d4c11e9f2620e210c80fa91c9b0 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.6 N#CCNCCBr 0446408ac67472c3f117afedda925721 [0,0,0,0,0,0|4,0,0]=4 127 B6R0.6 N#CCNCCF 0fe01b7623bdbba61bc54c723f18d11d [0,0,0,0,0,0|4,0,0]=4 128 B6R0.6 N#CCNCCI c8669caeb20984eb6f57893dbdc4deb7 [0,0,0,0,0,0|4,0,0]=4 129 B6R0.6 N#CCNCCO 02ac8da78bc91b463ae8a1a8af800d30 [0,0,0,0,0,0|3,0,0]=3 130 B6R0.6 N#CCNCCS 201b825e41b67b3a3f0d1ddd78e09500 [0,0,0,0,0,0|3,1,0]=4 131 B6R0.6 N#CCOCCF a1053cc79ef9f30ddeb27ec16b94a5ba [0,0,0,0,0,0|4,0,0]=4 132 B6R0.6 N#CCOCCS 0fd93ad5ad6ac5ec81f01766264bbfba [0,0,0,0,0,0|3,1,0]=4 133 B6R0.6 N#CNCCCF bafce70d703899503344865cbdf8b642 [0,0,0,0,0,0|4,0,0]=4 134 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.6 N#CNCCCS 779323b21cf6943c3dc6826112ae19e6 [0,0,0,0,0,0|3,1,0]=4 136 B6R0.6 NOCCNCF 1c79587092c061e11e836d9fef4b4b74 [0,0,0,0,0,0|3,1,0]=4 137 B6R0.6 NOCCNCO 0cc9440611ac9dd9d9295e962a3dd39a [0,0,0,0,0,0|2,1,0]=3 138 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,0,0,0,0,0|4,0,0]=4 139 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,0,0,0,0|4,0,0]=4 140 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,0,0,0,0|4,0,0]=4 141 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,0,0,0,0|4,0,0]=4 142 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,0,0,0,0|3,0,0]=3 143 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,0,0,0,0|3,1,0]=4 144 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,0,0,0,0|4,0,0]=4 145 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,0,0,0,0|3,1,0]=4 146 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,0,0,0,0,0|4,0,0]=4 147 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,0,0,0,0|3,0,0]=3 148 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [0,0,0,0,0,0|3,0,0]=3 149 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [0,0,0,0,0,0|3,0,0]=3 151 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [0,0,0,0,0,0|3,0,0]=3 152 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [0,0,0,0,0,0|3,0,0]=3 153 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [0,0,0,0,0,0|3,0,0]=3 154 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [0,0,0,0,0,0|3,0,0]=3 155 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [0,0,0,0,0,0|3,0,0]=3 156 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [0,0,0,0,0,0|3,1,0]=4 157 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [0,0,0,0,0,0|3,1,0]=4 158 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [0,0,0,0,0,0|3,1,0]=4 159 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [0,0,0,0,0,0|3,1,0]=4 160 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [1,0,0,0,0,0|1,0,2]=4 162 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|1,0,2]=4 165 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|1,0,0]=2 168 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|2,0,0]=3 169 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|2,0,0]=3 174 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|1,0,0]=2 175 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|1,1,0]=3 176 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,0,0]=3 178 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,1,0]=3 179 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|1,1,0]=3 180 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,0,0,0,0,0|2,1,0]=4 181 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [1,0,0,0,0,0|2,0,1]=4 182 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,0,0,0,0,0|3,0,0]=4 183 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,0,0,0,0,0|3,0,0]=4 186 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,0,0,0,0,0|2,0,0]=3 187 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [1,0,0,0,0,0|2,0,1]=4 191 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|1,1,1]=4 192 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|1,0,2]=4 193 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,0,0,0,0,0|2,0,0]=3 194 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,0,0,0,0,0|1,1,0]=3 195 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,0,0,0,0,0|2,0,0]=3 196 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,0,0,0,0,0|2,0,0]=3 197 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,0,0,0,0,0|2,0,0]=3 198 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,0,0,0,0,0|1,0,0]=2 199 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,1,0,0,0,0|2,0,1]=4 200 B7R0.1 C#CCCCNCF ee80cfe129267471128699a35e8db818 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.1 C#CCCCNCO a9ed8c717b7ee1e1fd8d7809a5e484b3 [0,1,0,0,0,0|1,0,1]=3 202 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,1,0,0,0,0|1,1,1]=4 203 B7R0.1 C#CCCCOCF e2ca57ff624290ec22bd51b4b60747ec [0,1,0,0,0,0|1,1,1]=4 204 B7R0.1 C#CCCNCCBr 2c308029fae4f5312dbe405df3cf13f6 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.1 C#CCCNCCF 4f5f193a02d8fdf7dd67ec2f2011b686 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.1 C#CCCNCCI 6ee11ccbad19459df259d42cb58f5ef6 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.1 C#CCCNCCO 3bc2f77fd57a27fb406b56574c907f90 [0,1,0,0,0,0|1,0,1]=3 209 B7R0.1 C#CCCNCCS 2844ea5783fe3646d976561013aace98 [0,1,0,0,0,0|1,1,1]=4 210 B7R0.1 C#CCCNCOC cf9396d670d650e4fa45a4ba8287b654 [0,1,0,0,0,0|1,1,1]=4 211 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [0,1,0,0,0,0|1,0,1]=3 212 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.1 C#CCCOCCF cad37c818c142f7d736f92359c1451d0 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.1 C#CCCOCCS f5dfe7ea8cd7100b3a222a3ec7f9a19c [0,1,0,0,0,0|1,1,1]=4 215 B7R0.1 C#CCCOCOC 36c066d41d26482ed5ee75d0afe8617c [0,1,0,0,0,0|1,1,1]=4 216 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,1,0,0,0,0|1,0,1]=3 217 B7R0.1 C#CCNCCCC 2174997efa32a525ba69ce874ecd5c71 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.1 C#CCNCCCCl 5c9c271bcb88c7f56d489e4a793e8621 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.1 C#CCNCCCF 279bd861169915910381757eeb364012 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.1 C#CCNCCCS c1f69a0bf63fe9081ded0a29bd679e0b [0,1,0,0,0,0|1,1,1]=4 222 B7R0.1 C#CCNCCOC 997335a34ef003d48d244a0ddba27e07 [0,1,0,0,0,0|1,1,1]=4 223 B7R0.1 C#CCNCCON d1e911a0283c111df1143d241156a037 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,1,0,0,0,0|1,0,1]=3 225 B7R0.1 C#CCOCCCC ed4cfee8b145d86b8dc8812185cb69d7 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.1 C#CCOCCCF 8e4a498daaa3abb486cffe02f0d9ca7f [0,1,0,0,0,0|2,0,1]=4 227 B7R0.1 C#CCOCCCS d2780b6c136095e09224f9173c87e1a2 [0,1,0,0,0,0|1,1,1]=4 228 B7R0.1 C#CCOCCOC ab714bdf8184b88d0365ec20253b9510 [0,1,0,0,0,0|1,1,1]=4 229 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,1,0,0,0,0|1,0,1]=3 230 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,0,0,0,0|2,0,1]=4 231 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,1,0,0,0,0|2,0,1]=4 233 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,1,0,0,0,0|1,0,1]=3 237 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,1,0,0,0,0|1,1,1]=4 238 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,1,0,0,0,0|1,1,1]=4 241 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,1,0,0,0,0|1,0,2]=4 243 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,1,0,0,0,0|1,0,1]=3 248 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,1,0,0,0,0|1,1,1]=4 249 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,1,0,0,0,0|2,0,1]=4 251 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,1,0,0,0,0|1,1,1]=4 252 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,1,0,0,0,0|2,0,1]=4 253 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,1,0,0,0,0|1,0,1]=3 257 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,0,0,0,0|1,1,1]=4 258 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,1,0,0,0,0|1,1,1]=4 259 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,0,0,0,0|2,0,1]=4 260 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,0,0,0,0|1,0,1]=3 264 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,0,0,0,0|1,1,1]=4 265 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,0,0,0,0|1,1,1]=4 266 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,0,0,0,0|2,0,1]=4 268 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,0,0,0,0|1,1,1]=4 270 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,1,0,0,0,0|1,1,1]=4 271 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,0,0,0,0|2,0,1]=4 273 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,0,0,0,0|1,0,1]=3 275 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,1,0,0,0,0|1,1,1]=4 276 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,0,0,0,0|1,0,1]=3 278 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,1,0,0,0,0|2,0,1]=4 280 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,1,0,0,0,0|1,1,1]=4 281 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,1,0,0,0,0|1,1,1]=4 282 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,1,0,0,0,0|1,0,1]=3 283 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [0,1,0,0,0,0|1,1,1]=4 284 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.1 CC#CCCOCF 4dd70dd8fd8335ae75c095064dddb38e [0,1,0,0,0,0|2,0,1]=4 286 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.1 CC#CCNCCF 01d48c161e79f77f95ae22b22084d06a [0,1,0,0,0,0|2,0,1]=4 288 B7R0.1 CC#CCNCCO 2843afe4d746cf0fa7225c6f04363618 [0,1,0,0,0,0|1,0,1]=3 289 B7R0.1 CC#CCNCCS 902f9c9631e817d5cba87698e69fda34 [0,1,0,0,0,0|1,1,1]=4 290 B7R0.1 CC#CCNCOC 042e745fd5ae3e3c4d0e3df28f36462d [0,1,0,0,0,0|2,0,1]=4 291 B7R0.1 CC#CCNCSC 41e4339950850a850e6af84422ffa207 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,1,0,0,0,0|2,0,1]=4 293 B7R0.1 CC#CCOCCF 740691fb43c87d7c36d122faabbd0af1 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.1 CC#CCOCCS d741f417902af4e709d92de885608290 [0,1,0,0,0,0|1,1,1]=4 295 B7R0.1 CC#CCOCOC fdc903f30b2a7cefcf2b0a9cb74d111f [0,1,0,0,0,0|2,0,1]=4 296 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,1,0,0,0,0|2,0,1]=4 299 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,1,0,0,0,0|1,0,1]=3 300 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,1,0,0,0,0|1,1,1]=4 301 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,1,0,0,0,0|2,0,1]=4 305 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,1,0,0,0,0|1,1,1]=4 306 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.1 CCCCCNC#N 3741c8bad86bab083bc5d0a30e6bddc8 [0,1,0,0,0,0|2,0,1]=4 309 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,0,0,0,0|1,0,2]=4 310 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,0,0,0,0|1,0,0]=2 313 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,0,0,0,0|1,1,0]=3 314 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,0,0,0,0|1,1,0]=3 315 B7R0.1 CCCCNCC#N 076f54c0f29c99fe6d3ed9b29d359907 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,0,0,0,0|1,0,2]=4 317 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,1,0,0,0,0|2,0,0]=3 318 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,1,0,0,0,0|1,0,0]=2 322 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,1,0,0,0,0|1,1,0]=3 323 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,0,0,0,0|1,1,0]=3 324 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.1 CCCCOCC#N dc85f7fa683b49a24bf8a0a97aaed99b [0,1,0,0,0,0|2,0,1]=4 326 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,0,0,0,0|1,0,2]=4 327 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,0,0,0,0|2,0,0]=3 328 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,0,0,0,0|1,1,0]=3 330 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,0,0,0,0|1,1,0]=3 331 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,0,0,0,0|1,0,0]=2 332 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,0,0,0,0|1,0,2]=4 335 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,0,0,0,0|2,0,0]=3 336 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,0,0,0,0|2,0,0]=3 337 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,0,0,0,0|1,0,0]=2 338 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,0,0,0,0|1,1,0]=3 339 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,0,0,0,0|1,1,0]=3 340 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,1,0,0,0,0|2,0,0]=3 341 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,0,0,0,0|1,0,0]=2 342 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,1,0,0,0,0|2,1,0]=4 343 B7R0.1 CCCNCSC#N 13544467129ba8b8d400327b8930a043 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,0,0,0,0|2,0,1]=4 345 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,0,0,0,0|1,0,2]=4 346 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,0,0,0,0|2,0,0]=3 347 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,0,0,0,0|1,1,0]=3 348 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,0,0,0,0|1,1,0]=3 349 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,0,0,0,0|1,0,0]=2 350 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,1,0,0,0,0|2,1,0]=4 351 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.1 CCNCC#CCO 2a230a707d45398877d952a6edd37a82 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,1,0,0,0,0|2,0,0]=3 355 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,1,0,0,0,0|1,0,0]=2 356 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,1,0,0,0,0|1,1,0]=3 357 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,0,0,0,0|1,1,0]=3 358 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,1,0,0,0,0|1,0,0]=2 359 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,1,0,0,0,0|2,1,0]=4 360 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,1,0,0,0,0|2,0,0]=3 361 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,1,0,0,0,0|1,1,1]=4 362 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,0,0,0,0|0,1,2]=4 363 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,0,0,0,0|1,1,0]=3 364 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,0,0,0,0|0,2,0]=3 365 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,0,0,0,0|1,1,0]=3 366 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,0,0,0,0|1,0,0]=2 367 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,1,0,0,0,0|2,1,0]=4 368 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,1,0,0,0,0|1,1,0]=3 369 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,1,0,0,0,0|2,1,0]=4 370 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,1,0,0,0,0|2,1,0]=4 371 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,1,0,0,0,0|2,0,0]=3 372 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,1,0,0,0,0|2,1,0]=4 373 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,1,0,0,0,0|2,1,0]=4 374 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,1,0,0,0,0|2,1,0]=4 375 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,1,0,0,0,0|1,1,0]=3 376 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,1,0,0,0,0|1,2,0]=4 377 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,1,0,0,0,0|1,2,0]=4 378 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,1,0,0,0,0|2,1,0]=4 379 B7R0.1 CCSCCNC#N 146f8420c51eba76d3764a00770c7215 [0,1,0,0,0,0|2,0,1]=4 380 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,1,0,0,0,0|1,0,2]=4 381 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,1,0,0,0,0|2,0,0]=3 382 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,1,0,0,0,0|1,0,0]=2 383 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,1,0,0,0,0|2,0,0]=3 384 B7R0.1 COCCCNC#N 0f6144afc64c8968181a8d95a7f06e48 [0,1,0,0,0,0|1,1,1]=4 385 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,1,0,0,0,0|0,1,2]=4 386 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,1,0,0,0,0|1,1,0]=3 387 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,1,0,0,0,0|0,1,0]=2 388 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,1,0,0,0,0|1,1,0]=3 389 B7R0.1 COCCNCC#N eb0c03abb6091d3cacb87bad68b043b8 [0,1,0,0,0,0|1,1,1]=4 390 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,0,0,0,0|0,1,2]=4 391 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,1,0,0,0,0|1,1,0]=3 392 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,1,0,0,0,0|1,1,0]=3 393 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,1,0,0,0,0|1,1,0]=3 394 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,1,0,0,0,0|0,1,0]=2 395 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,1,0,0,0,0|0,2,0]=3 396 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,1,0,0,0,0|1,1,0]=3 397 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,1,0,0,0,0|1,0,0]=2 398 B7R0.1 COCCOCC#N b90956fc2162334882ae018cf0cd9999 [0,1,0,0,0,0|1,1,1]=4 399 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,0,0,0,0|0,1,2]=4 400 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,1,0,0,0,0|1,1,0]=3 401 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,1,0,0,0,0|0,2,0]=3 402 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,1,0,0,0,0|1,1,0]=3 403 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,1,0,0,0,0|1,0,0]=2 404 B7R0.1 COCNCCC#N cc2251ff8ea941c024cd02b8a471dad3 [0,1,0,0,0,0|1,1,1]=4 405 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,1,0,0,0,0|1,1,0]=3 406 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,1,0,0,0,0|0,1,0]=2 407 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,1,0,0,0,0|1,1,0]=3 408 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,1,0,0,0,0|1,0,0]=2 409 B7R0.1 COCOCCC#N 27e16b974b5a8cc8e6db8589fb85ef21 [0,1,0,0,0,0|1,1,1]=4 410 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,1,0,0,0,0|0,1,2]=4 411 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,0,0,0,0|1,1,0]=3 412 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,0,0,0,0|0,2,0]=3 413 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,1,0,0,0,0|1,0,0]=2 414 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,0,0,0,0|0,0,2]=3 416 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,1,0,0,0,0|1,0,0]=2 417 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,1,0,0,0,0|0,0,0]=1 418 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,1,0,0,0,0|1,0,0]=2 419 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,1,0,0,0,0|1,0,1]=3 420 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,0,0,0,0|0,0,2]=3 421 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,1,0,0,0,0|1,0,0]=2 422 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,1,0,0,0,0|1,0,0]=2 423 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,1,0,0,0,0|1,0,0]=2 424 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,1,0,0,0,0|0,0,0]=1 425 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,1,0,0,0,0|0,1,0]=2 426 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,1,0,0,0,0|1,1,0]=3 427 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,1,0,0,0,0|1,0,1]=3 428 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,0,0,0,0|0,0,2]=3 429 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,0,0,0,0|1,0,0]=2 430 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,0,0,0,0|0,1,0]=2 431 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,1,0,0,0,0|1,1,0]=3 432 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [0,1,0,0,0,0|1,0,1]=3 433 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,1,0,0,0,0|1,0,0]=2 434 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,1,0,0,0,0|0,0,0]=1 435 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,1,0,0,0,0|1,0,0]=2 436 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,1,0,0,0,0|1,0,2]=4 437 B7R0.1 CSCOCC#CI 9f660a7c871ae23c41d42172fc52f0ba [0,1,0,0,0,0|1,0,2]=4 438 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,1,0,0,0,0|1,0,2]=4 439 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,1,0,0,0,0|1,0,1]=3 440 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,0,0,0,0|0,0,2]=3 441 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,1,0,0,0,0|1,0,0]=2 442 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,1,0,0,0,0|0,1,0]=2 443 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [0,1,0,0,0,0|1,1,0]=3 444 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,1,0,0,0,0|3,0,0]=4 446 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,1,0,0,0,0|3,0,0]=4 447 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,1,0,0,0,0|2,1,0]=4 448 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,1,0,0,0,0|2,1,0]=4 450 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,1,0,0,0,0|3,0,0]=4 451 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,1,0,0,0,0|2,1,0]=4 452 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,1,0,0,0,0|2,1,0]=4 453 B7R0.1 FCNCCCCCl 1f62d148cf28827af64f05ab47d8a0d1 [0,1,0,0,0,0|2,0,0]=3 454 B7R0.1 FCNCCCCS 20de7e7c5ad02c9ab73f0feca6604233 [0,1,0,0,0,0|1,1,0]=3 455 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [0,1,0,0,0,0|0,2,0]=3 456 B7R0.1 N#CCCCNCF cd2cde5f004bd6525b8fd85e485c94d8 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.1 N#CCCCNCO 5c0d2266f0898fe9160186844f3620ff [0,1,0,0,0,0|2,0,0]=3 458 B7R0.1 N#CCCCOCF 20aba03032603549301f549b721d3f57 [0,1,0,0,0,0|1,1,1]=4 459 B7R0.1 N#CCCNCCBr 766e1679a78d579ddb7bc856cb5a929d [0,1,0,0,0,0|3,0,0]=4 460 B7R0.1 N#CCCNCCF bc7b3dfb7edae9ab7c7366b4782defc9 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.1 N#CCCNCCI 0d66de89ca12501e3829bfb29e984d68 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.1 N#CCCNCCO 1637f5afa2121e3ef5b132c03408ea0f [0,1,0,0,0,0|2,0,0]=3 463 B7R0.1 N#CCCNCCS 4e7ddebfb5f62ddd7b7f24b7ab183b45 [0,1,0,0,0,0|2,1,0]=4 464 B7R0.1 N#CCCOCCF c2245ac04b4ed21d4611d8407215019c [0,1,0,0,0,0|3,0,0]=4 465 B7R0.1 N#CCCOCCS 5da7e76cd18cac10a7d2e2086ebead76 [0,1,0,0,0,0|2,1,0]=4 466 B7R0.1 N#CCNCCCCl 32c8ddf5121a62d37792f26f283a5412 [0,1,0,0,0,0|3,0,0]=4 467 B7R0.1 N#CCNCCCF e866cd5c080968efadf88b59dc1a8a68 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,1,0,0,0,0|2,0,0]=3 469 B7R0.1 N#CCNCCCS abeed03b2458f68a81ef6d1caa8a7822 [0,1,0,0,0,0|2,1,0]=4 470 B7R0.1 N#CCNCCON 85c6cd38021212987ae83c163c21a6f3 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.1 N#CCOCCCF 0987b6cf0dc97782d95acca8f31d2cc8 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.1 N#CCOCCCS 3c2defd9fab2628e3af6d6b3cfddb262 [0,1,0,0,0,0|2,1,0]=4 473 B7R0.1 N#CNCCCCF 293aa64c3e1b35abd5e5acc5aa0ddc2f [0,1,0,0,0,0|2,0,1]=4 474 B7R0.1 N#CNCCCCO 5d8d2e101890ae37736cc18e998548c9 [0,1,0,0,0,0|1,0,1]=3 475 B7R0.1 N#CSCNCCBr b235194bda45447e9c7afe08c0f7f05b [0,1,0,0,0,0|2,0,1]=4 476 B7R0.1 N#CSCNCCF 4eb6d90bc72897897875da74ea9b54c0 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.1 N#CSCNCCI 513d55425b277eaeea5926e945b3c12a [0,1,0,0,0,0|2,0,1]=4 478 B7R0.1 N#CSCNCCO b95d82e4e133cdda33fed131bb7848cc [0,1,0,0,0,0|1,0,1]=3 479 B7R0.1 N#CSCNCCS a134ce0bb61bb187001bcf6e95ef6dd6 [0,1,0,0,0,0|1,1,1]=4 480 B7R0.1 N#CSCOCCS 3f9597c7627792bcf069de1941f8503e [0,1,0,0,0,0|1,1,1]=4 481 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,1,0,0,0,0|2,1,0]=4 483 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,1,0,0,0,0|1,1,0]=3 484 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,1,0,0,0,0|1,2,0]=4 485 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,1,0,0,0,0|2,0,1]=4 486 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,1,0,0,0,0|0,1,2]=4 487 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,0,0,0,0|3,0,0]=4 488 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,0,0,0,0|3,0,0]=4 489 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,0,0,0,0|3,0,0]=4 490 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,0,0,0,0|2,1,0]=4 492 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,0,0,0,0|2,1,0]=4 494 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,0,0,0,0|2,0,0]=3 496 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,1,0,0,0,0|2,1,0]=4 498 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,0,0,0,0|1,0,1]=3 500 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,1,0,0,0,0|1,1,1]=4 501 B7R0.1 OCC#CCNCF 9fb3443bbdb8ee3646af5fd610840a46 [0,1,0,0,0,0|1,0,2]=4 502 B7R0.1 OCC#CCNCO 38cf5d81a397c328b8b6b8c290d3dc06 [0,1,0,0,0,0|1,0,2]=4 503 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,1,0,0,0,0|1,0,0]=2 504 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,1,0,0,0,0|1,0,0]=2 505 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,1,0,0,0,0|2,0,0]=3 508 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,1,0,0,0,0|2,0,1]=4 511 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,1,0,0,0,0|2,0,1]=4 512 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,1,0,0,0,0|2,0,0]=3 513 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,1,0,0,0,0|2,0,0]=3 514 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,1,0,0,0,0|2,0,0]=3 515 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,1,0,0,0,0|2,0,0]=3 516 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,1,0,0,0,0|1,1,0]=3 517 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,1,0,0,0,0|2,1,0]=4 518 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,1,0,0,0,0|2,1,0]=4 519 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,1,0,0,0,0|2,1,0]=4 520 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,1,0,0,0,0|2,1,0]=4 521 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,1,0,0,0,0|2,1,0]=4 522 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,1,0,0,0,0|2,0,1]=4 524 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,1,0,0,0,0|2,0,1]=4 525 B7R0.3 C#CCCN(C)CO 3456b7202c86ce20c9db5825f2600d97 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.3 C#CCNC(C)CO e217aadc6ae2184f287cc75033468347 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.3 C#CCN[C@@H](C)CO be23745c4a1394ef26cd9ad9ba61e848 [0,1,0,0,0,0|2,0,1]=4 528 B7R0.3 C#CCN[C@H](C)CO d868e6c27f5fba5003a802e374564049 [0,1,0,0,0,0|2,0,1]=4 529 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [0,1,0,0,0,0|2,0,1]=4 530 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,1,0,0,0,0|2,0,1]=4 531 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [0,1,0,0,0,0|2,0,1]=4 533 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,1,0,0,0,0|2,0,1]=4 534 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,1,0,0,0,0|2,0,1]=4 535 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,1,0,0,0,0|2,0,1]=4 536 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|2,0,1]=4 538 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,1,0,0,0,0|2,0,1]=4 539 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [0,1,0,0,0,0|2,0,1]=4 540 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,1,0,0,0,0|2,0,1]=4 541 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,1,0,0,0,0|2,0,1]=4 543 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|2,0,1]=4 544 B7R0.3 CC(C#N)CNCO cdcd1d8e558d8fe031d84eda06590263 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,0,0,0,0|3,0,0]=4 547 B7R0.3 CC(CO)CNC#N f081c9853066c36f1feb71f0d0ee5f22 [0,1,0,0,0,0|3,0,0]=4 548 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,1,0,0,0,0|3,0,0]=4 550 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,1,0,0,0,0|3,0,0]=4 551 B7R0.3 CC(CO)NCC#N c15c6c891d1b54cfdcadaff4df95022a [0,1,0,0,0,0|3,0,0]=4 552 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,1,0,0,0,0|3,0,0]=4 553 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,1,0,0,0,0|3,0,0]=4 557 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,1,0,0,0,0|3,0,0]=4 558 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|2,0,1]=4 559 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,1,0,0,0,0|3,0,0]=4 560 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,0,0,0,0|2,0,0]=3 561 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,1,0,0,0,0|3,0,0]=4 562 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,1,0,0,0,0|3,0,0]=4 563 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,1,0,0,0,0|3,0,0]=4 564 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,1,0,0,0,0|3,0,0]=4 565 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,1,0,0,0,0|2,1,0]=4 567 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,1,0,0,0,0|2,1,0]=4 568 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|2,0,0]=3 569 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,0,0,0,0|3,0,0]=4 570 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,0,0,0,0|2,1,0]=4 571 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,0,0,0,0|2,1,0]=4 572 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,1,0,0,0,0|3,0,0]=4 574 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,1,0,0,0,0|2,0,0]=3 575 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,0,0,0,0|3,0,0]=4 576 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,1,0,0,0,0|3,0,0]=4 577 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,1,0,0,0,0|2,0,0]=3 578 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|2,0,1]=4 579 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,1,0,0,0,0|2,0,0]=3 581 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,1,0,0,0,0|2,0,0]=3 583 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,1,0,0,0,0|2,0,0]=3 585 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|3,0,0]=4 586 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,0,0,0,0|3,0,0]=4 587 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,0,0,0,0|2,1,0]=4 588 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|3,0,0]=4 589 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|3,0,0]=4 590 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,0,0,0,0|2,1,0]=4 591 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,1,0,0,0,0|3,0,0]=4 592 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,0,0,0,0|2,0,0]=3 593 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,1,0,0,0,0|2,1,0]=4 594 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,1,0,0,0,0|2,1,0]=4 595 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,0,0,0,0|2,0,0]=3 596 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,1,0,0,0,0|3,0,0]=4 597 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,0,0,0,0|3,0,0]=4 598 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,1,0,0,0,0|2,0,0]=3 599 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,1,0,0,0,0|2,0,0]=3 600 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,1,0,0,0,0|2,0,0]=3 602 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,0,0,0,0|3,0,0]=4 603 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,1,0,0,0,0|2,1,0]=4 604 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,1,0,0,0,0|2,0,0]=3 605 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,1,0,0,0,0|2,0,0]=3 606 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,1,0,0,0,0|2,0,0]=3 607 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,1,0,0,0,0|2,1,0]=4 608 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,1,0,0,0,0|2,0,0]=3 609 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,1,0,0,0,0|2,0,0]=3 611 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,1,0,0,0,0|3,0,0]=4 612 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,0,0,0,0|3,0,0]=4 613 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,1,0,0,0,0|2,1,0]=4 614 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,1,0,0,0,0|3,0,0]=4 615 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,1,0,0,0,0|2,1,0]=4 616 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,0,0,0,0|3,0,0]=4 617 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,1,0,0,0,0|2,1,0]=4 618 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,1,0,0,0,0|2,1,0]=4 620 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,1,0,0,0,0|3,0,0]=4 621 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,1,0,0,0,0|3,0,0]=4 622 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,0,0,0,0|2,0,0]=3 623 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,1,0,0,0,0|2,1,0]=4 624 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,1,0,0,0,0|2,1,0]=4 625 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|2,0,0]=3 626 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,0,0,0,0|2,1,0]=4 628 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,0,0,0,0|2,1,0]=4 629 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|2,0,0]=3 630 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,1,0,0,0,0|3,0,0]=4 631 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,1,0,0,0,0|3,0,0]=4 633 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,0,0,0,0|2,0,0]=3 634 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,1,0,0,0,0|3,0,0]=4 635 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,1,0,0,0,0|3,0,0]=4 636 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,0,0,0,0|2,0,0]=3 637 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,1,0,0,0,0|2,1,0]=4 638 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,1,0,0,0,0|2,1,0]=4 639 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|2,0,0]=3 640 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,0,0,0,0|2,1,0]=4 642 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,0,0,0,0|2,1,0]=4 643 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,0,0,0,0|3,0,0]=4 645 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,1,0,0,0,0|3,0,0]=4 646 B7R0.3 CN(CO)CCC#N e77ebb921e94a58b4ab05bdb73cc9833 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,1,0,0,0,0|3,0,0]=4 648 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,1,0,0,0,0|2,1,0]=4 649 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,0,0,0,0|2,0,1]=4 650 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,0,0,0,0|1,1,1]=4 651 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,1,0,0,0,0|2,1,0]=4 652 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [0,1,0,0,0,0|2,1,0]=4 653 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,1,0,0,0,0|1,1,0]=3 654 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,1,0,0,0,0|1,1,0]=3 655 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,1,0,0,0,0|1,1,0]=3 656 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,1,0,0,0,0|1,1,0]=3 657 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,1,0,0,0,0|2,1,0]=4 658 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,1,0,0,0,0|2,1,0]=4 659 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,1,0,0,0,0|1,1,0]=3 660 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,1,0,0,0,0|2,1,0]=4 661 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,1,0,0,0,0|2,1,0]=4 662 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,1,0,0,0,0|1,1,0]=3 663 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,1,0,0,0,0|2,1,0]=4 664 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,1,0,0,0,0|1,0,2]=4 665 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,1,0,0,0,0|1,0,0]=2 667 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,1,0,0,0,0|1,0,0]=2 669 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,1,0,0,0,0|1,0,0]=2 670 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,1,0,0,0,0|1,0,0]=2 671 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|1,0,2]=4 672 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,1,0,0,0,0|2,0,0]=3 673 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,1,0,0,0,0|1,1,0]=3 674 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,1,0,0,0,0|1,1,0]=3 675 B7R0.3 C[C@@H](CO)CNC#N 7a344dd06ac74d3463a9149daec39991 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.3 C[C@@H](CO)NCC#N d8554bf09d9bf0f3b9c5c96f6682e84c [0,1,0,0,0,0|3,0,0]=4 677 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,1,0,0,0,0|3,0,0]=4 679 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,1,0,0,0,0|3,0,0]=4 680 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,1,0,0,0,0|3,0,0]=4 681 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,1,0,0,0,0|3,0,0]=4 682 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,0,0,0,0|3,0,0]=4 684 B7R0.3 C[C@H](CO)CNC#N 2a6f52445ff6cd319e157e5dd9f01c27 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,1,0,0,0,0|3,0,0]=4 686 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,1,0,0,0,0|3,0,0]=4 687 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,1,0,0,0,0|3,0,0]=4 688 B7R0.3 C[C@H](CO)NCC#N eeac0d90e9037dcf16f1babdaf474c04 [0,1,0,0,0,0|3,0,0]=4 689 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,1,0,0,0,0|3,0,0]=4 690 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,1,0,0,0,0|3,0,0]=4 692 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.3 N#CNCC(O)CO 1bc8ac75294ec9680f3f383005d7a739 [0,1,0,0,0,0|3,0,0]=4 696 B7R0.3 N#CNC[C@@H](O)CO 427d3d4c3a35033fd0691c96b7b53cef [0,1,0,0,0,0|3,0,0]=4 697 B7R0.3 N#CNC[C@H](O)CO f528dbe2b23bcf1aa03a29e9a45ba7f4 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,1,0,0,0,0|3,0,0]=4 700 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,1,0,0,0,0|3,0,0]=4 701 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,1,0,0,0,0|3,0,0]=4 702 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,1,0,0,0,0|3,0,0]=4 703 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,1,0,0,0,0|3,0,0]=4 704 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,1,0,0,0,0|3,0,0]=4 705 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,1,0,0,0,0|3,0,0]=4 706 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,1,0,0,0,0|3,0,0]=4 707 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,1,0,0,0,0|3,0,0]=4 708 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,1,0,0,0,0|3,0,0]=4 709 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,1,0,0,0,0|3,0,0]=4 710 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,1,0,0,0,0|3,0,0]=4 711 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,1,0,0,0,0|3,0,0]=4 713 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,1,0,0,0,0|3,0,0]=4 714 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,1,0,0,0,0|3,0,0]=4 715 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,1,0,0,0,0|3,0,0]=4 716 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,1,0,0,0,0|3,0,0]=4 717 B7R0.4 C#CCNCC(C)O f4d872dd00b0a2e0a49423bedd0911d9 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.4 C#CCNC[C@@H](C)O 48ca2cffdb002fd4c5435c3cab817ac3 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.4 C#CCNC[C@H](C)O 3540d80288db26ec22a5ecfb25fe8093 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,1,0,0,0,0|2,0,1]=4 723 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,0,0,0,0|3,0,0]=4 724 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,1,0,0,0,0|3,0,0]=4 725 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,1,0,0,0,0|2,0,0]=3 726 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,0,0,0,0|3,0,0]=4 727 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,0,0,0,0|3,0,0]=4 728 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,0,0,0,0|3,0,0]=4 729 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|3,0,0]=4 730 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,0,0,0,0|3,0,0]=4 731 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,0,0,0,0|2,0,0]=3 733 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,0,0,0,0|2,1,0]=4 734 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,1,0,0,0,0|2,0,1]=4 735 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|3,0,0]=4 736 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,1,0,0,0,0|3,0,0]=4 737 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,1,0,0,0,0|2,1,0]=4 738 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,1,0,0,0,0|2,0,1]=4 740 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,1,0,0,0,0|2,0,1]=4 745 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,1,0,0,0,0|2,0,1]=4 746 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,1,0,0,0,0|2,0,1]=4 747 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,1,0,0,0,0|2,0,1]=4 748 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,0,0,0,0|3,0,0]=4 749 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|3,0,0]=4 750 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|2,0,0]=3 751 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|2,1,0]=4 752 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,0,0,0,0|3,0,0]=4 753 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,0,0,0,0|2,1,0]=4 754 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,0,0,0,0|3,0,0]=4 755 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,0,0,0,0|2,0,0]=3 756 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [0,1,0,0,0,0|3,0,0]=4 757 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,1,0,0,0,0|2,0,0]=3 758 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [0,1,0,0,0,0|3,0,0]=4 760 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [0,1,0,0,0,0|3,0,0]=4 761 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [0,1,0,0,0,0|3,0,0]=4 762 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,1,0,0,0,0|2,0,0]=3 763 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [0,1,0,0,0,0|2,1,0]=4 764 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,1,0,0,0,0|3,0,0]=4 765 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,1,0,0,0,0|2,1,0]=4 766 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [0,1,0,0,0,0|3,0,0]=4 767 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,1,0,0,0,0|2,0,0]=3 768 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,1,0,0,0,0|3,0,0]=4 769 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,1,0,0,0,0|2,1,0]=4 770 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,1,0,0,0,0|3,0,0]=4 771 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,1,0,0,0,0|2,1,0]=4 772 B7R0.4 CC(O)CCNC#N f9e561d086833240e2e332e197eda42d [0,1,0,0,0,0|3,0,0]=4 773 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,1,0,0,0,0|3,0,0]=4 774 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,1,0,0,0,0|3,0,0]=4 775 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,1,0,0,0,0|2,0,0]=3 776 B7R0.4 CC(O)CNCC#N c277ed23b2388d99b8c551bcc91bf2d2 [0,1,0,0,0,0|3,0,0]=4 777 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,1,0,0,0,0|3,0,0]=4 778 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,1,0,0,0,0|3,0,0]=4 779 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,1,0,0,0,0|3,0,0]=4 780 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,1,0,0,0,0|3,0,0]=4 781 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,1,0,0,0,0|2,0,0]=3 782 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,1,0,0,0,0|2,1,0]=4 783 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,1,0,0,0,0|3,0,0]=4 784 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,1,0,0,0,0|2,1,0]=4 785 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,0,0,0,0|3,0,0]=4 786 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,1,0,0,0,0|3,0,0]=4 787 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,0,0,0,0|3,0,0]=4 788 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|3,0,0]=4 789 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|2,0,1]=4 790 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,0,0,0,0|3,0,0]=4 791 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,1,0,0,0,0|3,0,0]=4 793 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,0,0,0,0|3,0,0]=4 794 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|2,0,0]=3 795 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|3,0,0]=4 797 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|2,0,1]=4 798 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,0,0,0,0|3,0,0]=4 799 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,0,0,0,0|3,0,0]=4 800 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,0,0,0,0|2,1,0]=4 801 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,1,0,0,0,0|3,0,0]=4 802 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,1,0,0,0,0|3,0,0]=4 803 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|3,0,0]=4 804 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,0,0,0,0|3,0,0]=4 805 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,0,0,0,0|3,0,0]=4 806 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|2,0,1]=4 807 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,1,0,0,0,0|3,0,0]=4 808 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,0,0,0,0|2,0,0]=3 809 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [0,1,0,0,0,0|3,0,0]=4 810 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [0,1,0,0,0,0|3,0,0]=4 811 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|3,0,0]=4 813 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,0,0,0,0|2,0,0]=3 814 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,0,0,0,0|2,0,0]=3 815 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,0,0,0,0|3,0,0]=4 816 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|2,0,1]=4 817 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,0,0,0,0|3,0,0]=4 818 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,1,0,0,0,0|3,0,0]=4 819 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,1,0,0,0,0|3,0,0]=4 820 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,0,0,0,0|2,0,1]=4 821 B7R0.4 CN(C)CCNCF 8abb5f18b6c751325863f35aed3a39ad [0,1,0,0,0,0|3,0,0]=4 822 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [0,1,0,0,0,0|2,0,0]=3 823 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,1,0,0,0,0|3,0,0]=4 824 B7R0.4 CN(C)CNCCBr bd43fb5c0b7d8350d95a0dd2df69b9c3 [0,1,0,0,0,0|3,0,0]=4 825 B7R0.4 CN(C)CNCCF f5668af030ba7c2b059920244d608c58 [0,1,0,0,0,0|3,0,0]=4 826 B7R0.4 CN(C)CNCCI a5f2dc9c9c831c2cee3580ea090d436e [0,1,0,0,0,0|3,0,0]=4 827 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [0,1,0,0,0,0|2,0,0]=3 828 B7R0.4 CN(C)CNCCS b45f88ad22a418d68a24233da6b56ca9 [0,1,0,0,0,0|2,1,0]=4 829 B7R0.4 CN(C)COCCF 62f55da4c28b5a6853579355e2be444c [0,1,0,0,0,0|3,0,0]=4 830 B7R0.4 CN(C)COCCS a425fbb521a3fbcb18e120f8fcba5ba5 [0,1,0,0,0,0|2,1,0]=4 831 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,1,0,0,0,0|2,1,0]=4 832 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,1,0,0,0,0|2,1,0]=4 833 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|1,1,1]=4 834 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,1,0,0,0,0|2,1,0]=4 835 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,1,0,0,0,0|1,1,0]=3 836 B7R0.4 COCNCC(F)F 7ac3b930a04e1976065f1508912ca121 [0,1,0,0,0,0|2,1,0]=4 837 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,1,0,0,0,0|1,1,0]=3 838 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,1,0,0,0,0|1,1,0]=3 839 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,0,0,0,0|1,1,1]=4 840 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,1,0,0,0,0|2,1,0]=4 841 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,1,0,0,0,0|2,1,0]=4 842 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,1,0,0,0,0|1,2,0]=4 843 B7R0.4 COCOCC(F)F f3ba6ff0889af417f90d77fc2d38e726 [0,1,0,0,0,0|2,1,0]=4 844 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,1,0,0,0,0|2,1,0]=4 845 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,1,0,0,0,0|2,1,0]=4 846 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,1,0,0,0,0|2,1,0]=4 847 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,1,0,0,0,0|2,0,1]=4 848 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,1,0,0,0,0|1,0,1]=3 849 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,1,0,0,0,0|2,0,1]=4 850 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,0,0,0,0|1,0,2]=4 851 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,0,0,0,0|2,0,0]=3 853 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|1,0,2]=4 854 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|1,0,2]=4 855 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|1,0,1]=3 856 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,1,0,0,0,0|2,0,0]=3 857 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,0,0,0,0|1,0,0]=2 858 B7R0.4 CSCNCC(F)F 7cb9fe23842b0dbd8a2ee023dae4c181 [0,1,0,0,0,0|2,0,0]=3 859 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,0,0,0,0|1,0,0]=2 860 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,0,0,0,0|1,0,0]=2 861 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|1,0,2]=4 862 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|1,0,2]=4 863 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|1,0,1]=3 864 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,1,0,0,0,0|1,1,1]=4 865 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,1,0,0,0,0|2,0,0]=3 866 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,1,0,0,0,0|2,0,0]=3 867 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,1,0,0,0,0|1,1,0]=3 868 B7R0.4 CSCOCC(F)F f5224cd0f16a5565a48a0766b0edd0b9 [0,1,0,0,0,0|2,0,0]=3 869 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,1,0,0,0,0|2,0,0]=3 870 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,1,0,0,0,0|2,0,0]=3 871 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,1,0,0,0,0|2,0,0]=3 872 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,1,0,0,0,0|3,0,0]=4 873 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,1,0,0,0,0|2,1,0]=4 874 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,1,0,0,0,0|3,0,0]=4 875 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,1,0,0,0,0|3,0,0]=4 876 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,1,0,0,0,0|2,0,0]=3 877 B7R0.4 C[C@@H](O)CNCC#N 7bfb086c42a4594c4cffb6ccfda3da8f [0,1,0,0,0,0|3,0,0]=4 878 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,1,0,0,0,0|3,0,0]=4 879 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,1,0,0,0,0|3,0,0]=4 880 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,1,0,0,0,0|3,0,0]=4 881 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,1,0,0,0,0|3,0,0]=4 882 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,1,0,0,0,0|2,0,0]=3 883 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,1,0,0,0,0|2,1,0]=4 884 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,1,0,0,0,0|3,0,0]=4 885 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,1,0,0,0,0|2,1,0]=4 886 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,1,0,0,0,0|3,0,0]=4 887 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,1,0,0,0,0|3,0,0]=4 888 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,1,0,0,0,0|2,0,0]=3 889 B7R0.4 C[C@H](O)CNCC#N 1a04464fa2dc47027bc54412001f6fce [0,1,0,0,0,0|3,0,0]=4 890 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,1,0,0,0,0|3,0,0]=4 891 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,1,0,0,0,0|3,0,0]=4 892 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,1,0,0,0,0|3,0,0]=4 893 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,1,0,0,0,0|3,0,0]=4 894 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,1,0,0,0,0|2,0,0]=3 895 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,1,0,0,0,0|2,1,0]=4 896 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,0,0,0,0|3,0,0]=4 897 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|3,0,0]=4 898 B7R0.4 NC(=S)CCNCO b1a1fcd18ad0532e4bcb643182feba55 [0,1,0,0,0,0|3,0,0]=4 899 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|3,0,0]=4 900 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|3,0,0]=4 901 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,1,0,0,0,0|2,0,1]=4 902 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [0,1,0,0,0,0|3,0,0]=4 903 B7R0.4 OCCNCC(F)F 024302a0340b34702e94d843b11797e0 [0,1,0,0,0,0|3,0,0]=4 904 B7R0.4 OCNCCC(F)F 6ab11325c4893be6b016d91b3c022661 [0,1,0,0,0,0|3,0,0]=4 905 B7R0.7 C#CCN(C)CCO 2ad3b74ccac932faf05fc96ebabb73e8 [0,1,0,0,0,0|2,0,1]=4 906 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [0,1,0,0,0,0|2,0,1]=4 907 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,1,0,0,0,0|2,0,1]=4 908 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,1,0,0,0,0|2,0,1]=4 909 B7R0.7 CC(CC#N)NCO 285fc00c27a8813f2c741df2c2c44678 [0,1,0,0,0,0|3,0,0]=4 910 B7R0.7 CC(CCO)NC#N e70b82d41e1ede507c7c5722bde31959 [0,1,0,0,0,0|3,0,0]=4 911 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,1,0,0,0,0|3,0,0]=4 912 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,1,0,0,0,0|3,0,0]=4 913 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,1,0,0,0,0|3,0,0]=4 914 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,0,0,0,0|3,0,0]=4 915 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,1,0,0,0,0|3,0,0]=4 916 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|2,0,0]=3 917 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,0,0,0,0|3,0,0]=4 918 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,1,0,0,0,0|3,0,0]=4 919 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,0,0,0,0|3,0,0]=4 920 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,1,0,0,0,0|3,0,0]=4 921 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,0,0,0,0|2,0,0]=3 922 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,1,0,0,0,0|2,1,0]=4 923 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,1,0,0,0,0|2,1,0]=4 924 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,0,0,0,0|2,0,0]=3 925 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,0,0,0,0|3,0,0]=4 926 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,0,0,0,0|3,0,0]=4 928 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,1,0,0,0,0|3,0,0]=4 929 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|2,0,0]=3 930 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,0,0,0,0|3,0,0]=4 931 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,0,0,0,0|2,0,0]=3 933 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,1,0,0,0,0|2,1,0]=4 934 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,0,0,0,0|2,0,0]=3 935 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,1,0,0,0,0|2,1,0]=4 936 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,1,0,0,0,0|2,1,0]=4 938 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,1,0,0,0,0|2,1,0]=4 939 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,0,0,0,0|2,0,0]=3 940 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,1,0,0,0,0|2,1,0]=4 941 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,1,0,0,0,0|2,1,0]=4 942 B7R0.7 CN(CC#N)CCO da549d8b05a367d96c2eb82090c24747 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,1,0,0,0,0|3,0,0]=4 945 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,1,0,0,0,0|3,0,0]=4 947 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,1,0,0,0,0|2,1,0]=4 948 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,1,0,0,0,0|1,1,0]=3 949 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,1,0,0,0,0|2,1,0]=4 950 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,1,0,0,0,0|2,1,0]=4 951 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,1,0,0,0,0|1,1,0]=3 952 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,1,0,0,0,0|2,1,0]=4 953 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,1,0,0,0,0|1,1,0]=3 954 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,1,0,0,0,0|2,1,0]=4 955 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,1,0,0,0,0|2,1,0]=4 956 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,1,0,0,0,0|1,1,0]=3 957 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,1,0,0,0,0|2,1,0]=4 958 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,1,0,0,0,0|2,0,0]=3 959 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [0,1,0,0,0,0|2,0,1]=4 960 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,1,0,0,0,0|2,0,0]=3 961 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,0,0,0,0|1,0,0]=2 962 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,1,0,0,0,0|3,0,0]=4 963 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,1,0,0,0,0|3,0,0]=4 967 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,1,0,0,0,0|3,0,0]=4 968 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,0,0,1,0,0|2,0,0]=3 969 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [0,0,0,1,0,0|2,0,0]=3 970 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,0,0,1,0,0|1,0,2]=4 971 B7R1.1 OCN1CC=CC1 7ff6422db20fb244739472dbcdc32e4d [0,0,0,1,0,0|2,0,1]=4 972 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,0,0,1,0,0|1,0,0]=2 973 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,0,0,1,0,0|3,0,0]=4 974 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,0,0,1,0,0|2,0,0]=3 975 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,0,0,1,0,0|3,0,0]=4 976 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,0,0,1,0,0|3,0,0]=4 977 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,0,0,1,0,0|3,0,0]=4 978 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,0,0,1,0,0|3,0,0]=4 979 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,0,0,1,0,0|3,0,0]=4 980 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,0,0,1,0,0|3,0,0]=4 981 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,0,0,1,0,0|3,0,0]=4 982 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,0,1,0,0|3,0,0]=4 983 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,0,0,1,0,0|3,0,0]=4 984 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,0,0,1,0,0|2,1,0]=4 985 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,0,0,1,0,0|3,0,0]=4 986 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,0,0,1,0,0|2,1,0]=4 987 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,0,0,1,0,0|2,0,0]=3 988 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [0,0,0,1,0,0|2,1,0]=4 989 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [0,0,0,1,0,0|2,0,0]=3 990 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [0,0,0,1,0,0|3,0,0]=4 991 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,0,0,1,0,0|3,0,0]=4 992 B7R1.6 FCNC1COC1 0688b607086181c74c3be657cc5d310c [0,0,0,1,0,0|2,1,0]=4 993 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,0,0,1,0,0|3,0,0]=4 994 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,0,0,1,0,0|2,1,0]=4 995 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,0,0,1,0,0|2,0,0]=3 996 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,0,0,1,0,0|2,0,0]=3 997 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,0,0,1,0,0|2,0,0]=3 998 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [0,0,0,1,0,0|1,1,0]=3 999 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [0,0,0,1,0,0|2,1,0]=4 1000 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [0,0,0,1,0,0|3,0,0]=4 1001 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,0,0,1,0,0|3,0,0]=4 1002 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,0,0,1,0,0|3,0,0]=4 1003 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [0,0,0,1,0,0|3,0,0]=4 1004 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,0,0,1,0,0|3,0,0]=4 1005 B7R1.7 COCNC1CC1 2800df33eaeca479e7ad5159beea729f [0,0,0,1,0,0|2,1,0]=4 1006 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,0,0,1,0,0|2,1,0]=4 1007 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,0,0,1,0,0|2,0,0]=3 1008 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,0,0,1,0,0|2,0,0]=3 1009 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [0,0,0,1,0,0|3,0,0]=4 1010 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,0,0,1,0,0|3,0,0]=4 1011 B7R1.7 FCNCC1CC1 1cae99c489890b890b87d2c58a6eb8c9 [0,0,0,1,0,0|3,0,0]=4 1012 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [0,0,0,1,0,0|3,0,0]=4 1013 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [0,0,0,1,0,0|3,0,0]=4 1014 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,0,0,1,0,0|2,0,0]=3 1015 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,0,0,1,0,0|2,0,0]=3 1016 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [0,0,0,1,0,0|2,1,0]=4 1017 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,0,0,1,0,0|2,1,0]=4 1018 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [1,1,0,0,0,0|2,0,0]=4 1019 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,1,0,0,0,0|1,1,0]=4 1020 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [1,1,0,0,0,0|2,0,0]=4 1021 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [1,1,0,0,0,0|2,0,0]=4 1022 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,1,0,0,0,0|1,0,0]=3 1023 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,1,0,0,0,0|2,0,0]=4 1024 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|2,0,0]=4 1025 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [1,1,0,0,0,0|2,0,0]=4 1026 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,0]=3 1027 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,1,0,0,0,0|2,0,0]=4 1028 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|1,0,0]=3 1029 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|1,1,0]=4 1030 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [1,1,0,0,0,0|1,1,0]=4 1031 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|1,0,0]=3 1032 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,1,0,0,0,0|2,0,0]=4 1033 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,1,0,0,0,0|1,0,0]=3 1034 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,1,0,0,0,0|2,0,0]=4 1035 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,1,0,0,0,0|1,0,0]=3 1036 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,1,0,0,0,0|2,0,0]=4 1037 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,1,0,0,0,0|1,0,0]=3 1038 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,1,0,0,0,0|1,1,0]=4 1041 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,1,0,0,0,0|2,0,0]=4 1042 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,1,0,0,0,0|2,0,0]=4 1043 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,1,0,0,0,0|1,1,0]=4 1044 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [1,1,0,0,0,0|2,0,0]=4 1045 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,1,0,0,0,0|1,0,0]=3 1046 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,1,0,0,0,0|2,0,0]=4 1047 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [1,1,0,0,0,0|2,0,0]=4 1048 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,1,0,0,0,0|1,0,0]=3 1049 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,1,0,0,0,0|2,0,0]=4 1050 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|2,0,0]=4 1051 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [1,1,0,0,0,0|2,0,0]=4 1052 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|1,1,0]=4 1053 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [1,1,0,0,0,0|2,0,0]=4 1054 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,1,0,0,0,0|1,1,0]=4 1055 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [1,1,0,0,0,0|2,0,0]=4 1056 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,1,0,0,0,0|1,1,0]=4 1057 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [1,1,0,0,0,0|2,0,0]=4 1058 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 1059 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|1,0,1]=4 1060 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|2,0,0]=4 1061 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,0,1]=4 1062 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|1,0,1]=4 1063 B6R0.4 CC(C)CNCF 8978b44d87fa42438515590def89eb79 [1,1,0,0,0,0|2,0,0]=4 1064 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|1,0,0]=3 1065 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,1,0,0,0,0|2,0,0]=4 1066 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|2,0,0]=4 1067 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|2,0,0]=4 1068 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|2,0,0]=4 1069 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|1,0,0]=3 1070 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|1,1,0]=4 1071 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|2,0,0]=4 1072 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|1,1,0]=4 1073 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [1,1,0,0,0,0|2,0,0]=4 1074 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,1,0,0,0,0|2,0,0]=4 1075 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|1,0,0]=3 1076 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [1,1,0,0,0,0|2,0,0]=4 1077 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|2,0,0]=4 1078 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|2,0,0]=4 1079 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|2,0,0]=4 1080 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|2,0,0]=4 1081 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|1,0,1]=4 1082 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|2,0,0]=4 1083 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|1,0,0]=3 1084 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [1,1,0,0,0,0|2,0,0]=4 1085 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|1,0,0]=3 1086 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|1,0,0]=3 1087 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|2,0,0]=4 1088 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,1]=4 1089 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|2,0,0]=4 1090 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|2,0,0]=4 1091 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|1,1,0]=4 1092 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [1,1,0,0,0,0|2,0,0]=4 1093 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 1094 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|2,0,0]=4 1095 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|2,0,0]=4 1096 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,1,0,0,0,0|1,1,0]=4 1097 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|1,0,0]=3 1098 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [1,1,0,0,0,0|2,0,0]=4 1099 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,1,0,0,0,0|2,0,0]=4 1100 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|1,0,0]=3 1101 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [1,1,0,0,0,0|2,0,0]=4 1102 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,1,0,0,0,0|2,0,0]=4 1103 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|1,0,0]=3 1104 B6R0.4 OCNCC(F)F 3ed4ca35ec506c3014c6127dbef8f462 [1,1,0,0,0,0|2,0,0]=4 1105 B8R0.1 C#CCC(C)OCSC bb02c72767ccac090c5896e4c57a1b30 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.1 C#CCCN(C)CCO d38ec686e5dff8e1d1cf71f95d251c7f [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.1 C#CCCN(C)CSC 387f7d72b77b68d9b2a22cbfaa13e322 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.1 C#CCN(C)CCCO 5b9c49f1d9726493e8dde1cc49cf4baf [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.1 C#CCN(C)CCSC 7e362c59a4f0090219a391dce19a4a21 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.1 C#CCNC(C)CCO f7e073f92be085cee88300803c26e8b5 [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.1 C#CCN[C@@H](C)CCO 08d69793342b67602e72b79419d5eb86 [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.1 C#CCN[C@H](C)CCO 5382a8cd24ffd0aadc352a9d09f8da09 [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.1 C#CCOC(C)CSC 2203e778a2c3e1c34211373f1ff4006d [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.1 C/C=C/CN(C)CCO 42c3b6faec9960c36a879d013004e77f [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.1 C/C=C\CN(C)CCO fb53deedd56c2eb2eab09a348d1b1a65 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.1 C=CCC(O)CNCO 204a1c2d99d2ab906e0c45b9fba04cd9 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.1 C=CCCN(C)CCO a8587c6e38b527df9a13ce4861c303de [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.1 C=CCCN(C)CSC bcba3911193dd2dd65f054dc7e7e5d60 [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.1 C=CCN(C)CCCO 9b92752ecae5d7c0bd7bb52b6f94bdc6 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [0,2,0,0,0,0|1,0,1]=4 1122 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,2,0,0,0,0|1,0,1]=4 1127 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.1 CC(CC#N)NCCO 9430fe99375abb92519cc8020b9f3d15 [0,2,0,0,0,0|2,0,0]=4 1129 B8R0.1 CC(CCCO)NC#N 23653f2d6d38cd98e4be9db92858f203 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.1 CC(CCCO)NC=O 15bbe5f218049b8debf6ff63d25de29f [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.1 CC(CCCO)NCF b241aebd82c44bc910db1b371b5b76bf [0,2,0,0,0,0|1,0,0]=3 1132 B8R0.1 CC(CCCO)NCO 409c6d583f7d914d396566d61e0bf62f [0,2,0,0,0,0|1,0,0]=3 1133 B8R0.1 CC(CCO)CNC=O 494f744824d462f62341eadad29d83d3 [0,2,0,0,0,0|1,0,1]=4 1134 B8R0.1 CC(CCO)CNCF c3decab050bcf8b829d230dbfdc8cb9c [0,2,0,0,0,0|1,0,0]=3 1135 B8R0.1 CC(CCO)CNCO 54a9f5ea99ff6dabd8f90f35e8fcdb0d [0,2,0,0,0,0|1,0,0]=3 1136 B8R0.1 CC(CCO)NCC#N 6e0ef6af73ae57c000968f02ae6a3fd7 [0,2,0,0,0,0|2,0,0]=4 1137 B8R0.1 CC(CCO)NCC=O be4773d58a64f79dc63b248791979cf7 [0,2,0,0,0,0|2,0,0]=4 1138 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,2,0,0,0,0|2,0,0]=4 1139 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,2,0,0,0,0|2,0,0]=4 1140 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,2,0,0,0,0|2,0,0]=4 1141 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,2,0,0,0,0|2,0,0]=4 1142 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,2,0,0,0,0|2,0,0]=4 1143 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,2,0,0,0,0|1,0,1]=4 1144 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,2,0,0,0,0|1,0,1]=4 1145 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,2,0,0,0,0|1,1,0]=4 1146 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,2,0,0,0,0|1,1,0]=4 1147 B8R0.1 CCCC(C)NCCBr 753adf372612d932eb167d3c6c6a7373 [0,2,0,0,0,0|2,0,0]=4 1148 B8R0.1 CCCC(C)NCCF 561290ca4cbab4d4179520d904990ead [0,2,0,0,0,0|2,0,0]=4 1149 B8R0.1 CCCC(C)NCCI 853631fdd24c7675889f7c8342411ed2 [0,2,0,0,0,0|2,0,0]=4 1150 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,2,0,0,0,0|1,0,0]=3 1151 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,2,0,0,0,0|1,1,0]=4 1152 B8R0.1 CCCC(C)NCOC 7593556ba3b3358786240e76b9dc1cde [0,2,0,0,0,0|1,1,0]=4 1153 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,2,0,0,0,0|1,0,0]=3 1154 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,2,0,0,0,0|2,0,0]=4 1155 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,2,0,0,0,0|1,1,0]=4 1156 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,2,0,0,0,0|1,1,0]=4 1157 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,2,0,0,0,0|1,0,0]=3 1158 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,2,0,0,0,0|2,0,0]=4 1159 B8R0.1 CCCC(O)CNCF 9e922850e385a2cbcd148cdd0ed96f6f [0,2,0,0,0,0|2,0,0]=4 1160 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,2,0,0,0,0|1,0,0]=3 1161 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,2,0,0,0,0|2,0,0]=4 1162 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,2,0,0,0,0|2,0,0]=4 1163 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,2,0,0,0,0|1,0,0]=3 1164 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,2,0,0,0,0|1,1,0]=4 1165 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,2,0,0,0,0|1,1,0]=4 1166 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,2,0,0,0,0|2,0,0]=4 1167 B8R0.1 CCCCN(C)CCF dea221ed9395f7cb1e71d7be0afd021b [0,2,0,0,0,0|2,0,0]=4 1168 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,2,0,0,0,0|1,0,0]=3 1169 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,2,0,0,0,0|1,1,0]=4 1170 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,2,0,0,0,0|1,1,0]=4 1171 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,2,0,0,0,0|1,0,0]=3 1172 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,2,0,0,0,0|2,0,0]=4 1173 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,2,0,0,0,0|2,0,0]=4 1174 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,2,0,0,0,0|1,0,0]=3 1175 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,2,0,0,0,0|1,1,0]=4 1176 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,2,0,0,0,0|1,1,0]=4 1177 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,2,0,0,0,0|1,1,0]=4 1178 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,2,0,0,0,0|1,1,0]=4 1179 B8R0.1 CCCN(C)CCCF 59925d2d70ed2cd32e04f065de645944 [0,2,0,0,0,0|2,0,0]=4 1180 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,2,0,0,0,0|1,0,0]=3 1181 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,2,0,0,0,0|1,1,0]=4 1182 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,2,0,0,0,0|1,1,0]=4 1183 B8R0.1 CCCN(C)CCON ddea99dfcac5cbaa7bc869b004f79f3a [0,2,0,0,0,0|2,0,0]=4 1184 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,2,0,0,0,0|1,0,0]=3 1185 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,2,0,0,0,0|2,0,0]=4 1188 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,2,0,0,0,0|1,0,0]=3 1189 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,2,0,0,0,0|1,1,0]=4 1190 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,2,0,0,0,0|2,0,0]=4 1191 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,2,0,0,0,0|1,0,0]=3 1192 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,2,0,0,0,0|1,1,0]=4 1193 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,2,0,0,0,0|1,0,0]=3 1194 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,2,0,0,0,0|1,1,0]=4 1195 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,2,0,0,0,0|2,0,0]=4 1196 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,2,0,0,0,0|1,1,0]=4 1197 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,2,0,0,0,0|1,0,0]=3 1198 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,2,0,0,0,0|1,1,0]=4 1200 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,2,0,0,0,0|2,0,0]=4 1201 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,2,0,0,0,0|1,1,0]=4 1202 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,2,0,0,0,0|2,0,0]=4 1203 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,2,0,0,0,0|1,1,0]=4 1204 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,2,0,0,0,0|1,1,0]=4 1205 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,2,0,0,0,0|1,0,0]=3 1206 B8R0.1 CCC[C@H](C)NCCF ad34b2e1bc15d73c299f2f9233e9fc6d [0,2,0,0,0,0|2,0,0]=4 1207 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,2,0,0,0,0|1,0,0]=3 1208 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,2,0,0,0,0|1,1,0]=4 1209 B8R0.1 CCC[C@H](C)NCOC e6035597a8eb8fe082f6fe480c7fc30b [0,2,0,0,0,0|1,1,0]=4 1210 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,2,0,0,0,0|1,0,0]=3 1211 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,2,0,0,0,0|1,1,0]=4 1213 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,2,0,0,0,0|1,1,0]=4 1214 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,2,0,0,0,0|1,0,0]=3 1215 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,2,0,0,0,0|1,0,0]=3 1216 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,2,0,0,0,0|1,0,0]=3 1217 B8R0.1 CCNCC(O)COC f6b0536e22df73e563264ad1928c3a48 [0,2,0,0,0,0|1,1,0]=4 1218 B8R0.1 CCNC[C@H](O)COC 5c0728270cf850017ded59cb547c9167 [0,2,0,0,0,0|1,1,0]=4 1219 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,2,0,0,0,0|1,0,0]=3 1220 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,2,0,0,0,0|1,1,0]=4 1221 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,2,0,0,0,0|1,0,0]=3 1222 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,2,0,0,0,0|1,1,0]=4 1223 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,2,0,0,0,0|1,1,0]=4 1224 B8R0.1 CN(CC#N)CCCO 6814a9fa5f7b1278df1ab564e6ace4ed [0,2,0,0,0,0|2,0,0]=4 1225 B8R0.1 CN(CC=O)CCCO e829ef1e39177735d96baabedb183026 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.1 CN(CCF)CCCO 405cb1812406dc732acbd5ca2bf8d85c [0,2,0,0,0,0|2,0,0]=4 1227 B8R0.1 CN(CCO)CCC#N 754707f265676c2444acffa7118e0084 [0,2,0,0,0,0|2,0,0]=4 1228 B8R0.1 CN(CCO)CCC=O 69df82d3bd6c841b00970a1b6a8a928f [0,2,0,0,0,0|2,0,0]=4 1229 B8R0.1 CN(CCO)CCCF 65d67af691e399f2e636a5d6ace9b963 [0,2,0,0,0,0|2,0,0]=4 1230 B8R0.1 CN(CCO)CCCO 36d713c03dc08766341246f14e07bda2 [0,2,0,0,0,0|2,0,0]=4 1231 B8R0.1 CN(CCO)CCCS cd935c5917603f4566a0a99c54ed3ddc [0,2,0,0,0,0|2,0,0]=4 1232 B8R0.1 CN(CCO)CCON 874878a8bbc253fff48e199d7410c1e4 [0,2,0,0,0,0|1,1,0]=4 1233 B8R0.1 CN(CCO)CSC#N d65c86327ef24f8a1da6a0f83759a0c7 [0,2,0,0,0,0|1,0,1]=4 1234 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,2,0,0,0,0|2,0,0]=4 1235 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,2,0,0,0,0|0,1,1]=4 1236 B8R0.1 COCC(C)COCF e897d0b734ee4ae2a4e0fcf0c31d6f85 [0,2,0,0,0,0|1,1,0]=4 1237 B8R0.1 COCC(C)NCCBr 7e7899007a79744e746e34b0e88edf2b [0,2,0,0,0,0|1,1,0]=4 1238 B8R0.1 COCC(C)NCCF 557cdfba1af62f98bed1b41c8dc60606 [0,2,0,0,0,0|1,1,0]=4 1239 B8R0.1 COCC(C)NCCI d72e8ee75c83d066d0a0f78aee871581 [0,2,0,0,0,0|1,1,0]=4 1240 B8R0.1 COCC(C)NCCO 50121ba26215b782d2891c1068ffac80 [0,2,0,0,0,0|0,1,0]=3 1241 B8R0.1 COCC(C)NCCS 0c48b5ac3fb6b83a7c07cb573cbf905d [0,2,0,0,0,0|0,2,0]=4 1242 B8R0.1 COCC(C)NCSC c65c691b291feca97768e9e081d9e61b [0,2,0,0,0,0|1,0,0]=3 1243 B8R0.1 COCC(C)OCCF 4d25fe5841fbbc0958bbed68d66d45cd [0,2,0,0,0,0|1,1,0]=4 1244 B8R0.1 COCC(C)OCCS dc09b0fb0753a53299a8d871512bc6a2 [0,2,0,0,0,0|0,2,0]=4 1245 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,2,0,0,0,0|1,0,0]=3 1246 B8R0.1 COCC(O)CNCF 5cfa84f0ff6c40cb2b8a0fa54a3cff12 [0,2,0,0,0,0|1,1,0]=4 1247 B8R0.1 COCC(O)CNCO e2f3cdf26236b8274acc1874eb0ec186 [0,2,0,0,0,0|0,1,0]=3 1248 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,2,0,0,0,0|1,1,0]=4 1249 B8R0.1 COCCN(C)CCF 134bac4413d89851de3a0eb8339bb0d3 [0,2,0,0,0,0|1,1,0]=4 1250 B8R0.1 COCCN(C)CCO 26130ceb4ad7565e446b20c581648752 [0,2,0,0,0,0|0,1,0]=3 1251 B8R0.1 COCCN(C)CCS 83f03283cbacd33730b90834828ac225 [0,2,0,0,0,0|0,2,0]=4 1252 B8R0.1 COCCN(C)COC 988caaf7b0acbc240227baa170a3504a [0,2,0,0,0,0|1,1,0]=4 1253 B8R0.1 COCCN(C)CSC 5f13e0ff3c679461b2b1a419feb6e996 [0,2,0,0,0,0|1,0,0]=3 1254 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,2,0,0,0,0|0,1,0]=3 1255 B8R0.1 COCN(C)CCON af7f1fce2b5bf3670d996ae10ca8a166 [0,2,0,0,0,0|1,1,0]=4 1256 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,2,0,0,0,0|1,0,0]=3 1257 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,2,0,0,0,0|0,1,0]=3 1258 B8R0.1 COCNC(C)COC 250e9396c28d5b4d35b8d6778a33f28b [0,2,0,0,0,0|1,1,0]=4 1259 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,2,0,0,0,0|0,1,0]=3 1260 B8R0.1 COCN[C@@H](C)COC 28e1e39ec4c3a6c7735e0e01086ca38a [0,2,0,0,0,0|1,1,0]=4 1261 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,2,0,0,0,0|0,1,0]=3 1262 B8R0.1 COCN[C@H](C)COC a708542bac98d3d1489ba8503cb4c50d [0,2,0,0,0,0|1,1,0]=4 1263 B8R0.1 COCOC(C)COC 7dd669d6ea2494b3523f618492ce68f2 [0,2,0,0,0,0|1,1,0]=4 1264 B8R0.1 COCOC(C)CSC 67f2cecd3f83eeb485abb23e4115d530 [0,2,0,0,0,0|1,0,0]=3 1265 B8R0.1 COCO[C@@H](C)COC 8b24e85ea2d85b99e5e5d22ec5bd1a47 [0,2,0,0,0,0|1,1,0]=4 1266 B8R0.1 COCO[C@H](C)COC 3aa38d1467a3f8a477b83b1e15d1f395 [0,2,0,0,0,0|1,1,0]=4 1267 B8R0.1 COC[C@@H](C)NCCF 42cfad7510b920e2cbb6795ba35d53ec [0,2,0,0,0,0|1,1,0]=4 1268 B8R0.1 COC[C@@H](C)NCCO b9e85493d099197a11d2edf7d0650981 [0,2,0,0,0,0|0,1,0]=3 1269 B8R0.1 COC[C@@H](C)NCCS c1a0ef2c1db0eafdfbae83e6b2ab6150 [0,2,0,0,0,0|0,2,0]=4 1270 B8R0.1 COC[C@@H](C)NCSC a373e5142c49c6b8358dc6f2a80e75c6 [0,2,0,0,0,0|1,0,0]=3 1271 B8R0.1 COC[C@@H](C)OCCF c6f35b3504e96433ddf50584161123c4 [0,2,0,0,0,0|1,1,0]=4 1272 B8R0.1 COC[C@@H](C)OCCS 97c93538d74314c75d1f95b22f9ee5ea [0,2,0,0,0,0|0,2,0]=4 1273 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,2,0,0,0,0|1,0,0]=3 1274 B8R0.1 COC[C@@H](O)CNCF 1b681a54076a64abc79849f5498a0a67 [0,2,0,0,0,0|1,1,0]=4 1275 B8R0.1 COC[C@@H](O)CNCO 326134c725e2877382224239fb68963f [0,2,0,0,0,0|0,1,0]=3 1276 B8R0.1 COC[C@H](C)COCF 984e8e8ac9c3550500a6fa92e66ed37a [0,2,0,0,0,0|1,1,0]=4 1277 B8R0.1 COC[C@H](C)NCCF 557ce4da8f4fb038d07789d43c01e324 [0,2,0,0,0,0|1,1,0]=4 1278 B8R0.1 COC[C@H](C)NCCO d2e33cba22598bc0a84da0258db0aed7 [0,2,0,0,0,0|0,1,0]=3 1279 B8R0.1 COC[C@H](C)NCCS 7dadc5772c9df6151c25bf104059e3fe [0,2,0,0,0,0|0,2,0]=4 1280 B8R0.1 COC[C@H](C)NCSC 32dd16ad91f658657131385e4dd12f54 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.1 COC[C@H](C)OCCF 5868f63f2ae9b3c9cc835061e035dd23 [0,2,0,0,0,0|1,1,0]=4 1282 B8R0.1 COC[C@H](C)OCCS 7322d1c93dd5ab6f4b1a0e283db4fa99 [0,2,0,0,0,0|0,2,0]=4 1283 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,2,0,0,0,0|1,0,0]=3 1284 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,2,0,0,0,0|1,0,1]=4 1285 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,2,0,0,0,0|1,0,1]=4 1286 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,2,0,0,0,0|0,0,1]=3 1288 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,2,0,0,0,0|0,1,1]=4 1289 B8R0.1 CSCC(C)OCC#N 887eca56e5116979b16e1d6b269ff8e6 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.1 CSCC(C)OCC=O d521716379b16767717aab19be915c57 [0,2,0,0,0,0|0,0,2]=4 1291 B8R0.1 CSCC(C)OCCF a09a905ddb581f9ec7a4a8fc9c3b330c [0,2,0,0,0,0|1,0,0]=3 1292 B8R0.1 CSCC(C)OCCS 87c78ed89e5ba05b837584ab98110c8a [0,2,0,0,0,0|0,1,0]=3 1293 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,2,0,0,0,0|1,0,0]=3 1294 B8R0.1 CSCCN(C)CC#N b20f36d40ca87cea9b936f7c4acdd072 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.1 CSCCN(C)CC=O 89a7838ed9276e35ce7d12178b247609 [0,2,0,0,0,0|0,0,2]=4 1296 B8R0.1 CSCCN(C)CCF 009b8e27e8e790d3ca2e81faf9ac0f0f [0,2,0,0,0,0|1,0,0]=3 1297 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,2,0,0,0,0|0,0,0]=2 1298 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,2,0,0,0,0|0,1,0]=3 1299 B8R0.1 CSCCN(C)CSC 2fe8ec926878f90934ccdb2b3a5d1e07 [0,2,0,0,0,0|1,1,0]=4 1300 B8R0.1 CSCN(C)CCC#N 7222ed3a90ee965752a7fc17af278f49 [0,2,0,0,0,0|1,0,1]=4 1301 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,2,0,0,0,0|0,0,0]=2 1302 B8R0.1 CSCN(C)CCON a0fc03321ed5624919ba05479c976d53 [0,2,0,0,0,0|1,0,0]=3 1303 B8R0.1 CSCNC(C)CC#N 22af020219a2ac96693d2af01b236c68 [0,2,0,0,0,0|1,0,1]=4 1304 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,2,0,0,0,0|0,0,0]=2 1305 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,2,0,0,0,0|0,0,0]=2 1306 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,2,0,0,0,0|0,0,0]=2 1307 B8R0.1 CSCOC(C)CC#N 82258fbdf25b30f079772f67634d60a8 [0,2,0,0,0,0|1,0,1]=4 1308 B8R0.1 CSCOC(C)CSC fd4788b9d6e38c9985f276fa19ca967e [0,2,0,0,0,0|1,1,0]=4 1309 B8R0.1 CSCO[C@@H](C)CC#N c7dc0b9e4684d90333d3995116c058a6 [0,2,0,0,0,0|1,0,1]=4 1310 B8R0.1 CSCO[C@H](C)CC#N ab2ed16860b4cad06a3cf0feae0c30a7 [0,2,0,0,0,0|1,0,1]=4 1311 B8R0.1 C[C@@H](CCO)NCC#N d318beb02accd53060d3f2bb9cc72f1d [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.1 C[C@@H](CCO)NCC=O b740e215ba752232b945e9f7d9202d2b [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.1 C[C@H](CCCO)NC=O 76787ce64f2b79059513d880ee57c0da [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.1 C[C@H](CCCO)NCF 739629949299962ce494801aa452596e [0,2,0,0,0,0|1,0,0]=3 1318 B8R0.1 C[C@H](CCCO)NCO 344fc929e55b0072ca3709d4cee8b54f [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.1 C[C@H](CCO)NCC#N f467e222e55f000b0a451522cac91204 [0,2,0,0,0,0|2,0,0]=4 1320 B8R0.1 C[C@H](CCO)NCC=O 8e0d0c9fecd308d7ccaf47b7123c3880 [0,2,0,0,0,0|2,0,0]=4 1321 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,2,0,0,0,0|2,0,0]=4 1323 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.1 N#CNC[C@@H](O)CCO af048cb880f8af718274eadae305973b [0,2,0,0,0,0|1,0,1]=4 1325 B8R0.4 C#CCCCCNCC 3fcf9ac93459248fb13bcf29c085c540 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.4 C#CCCCCNCF b96c01af913607615db56209d5dc1d37 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.4 C#CCCCCNCO 713332b53916ce2116df67b917d68308 [0,2,0,0,0,0|1,0,1]=4 1328 B8R0.4 C#CCCCCOCC 289e2b02f0139725ae39a923782166d5 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.4 C#CCCCCOCF 457192db2975f5222596594c36c54591 [0,2,0,0,0,0|1,0,1]=4 1330 B8R0.4 C#CCCCNCCC 5741edfb5fc37a0fd94ab80872f199ae [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.4 C#CCCCNCCO 749d8851342805764acc32afca683de9 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.4 C#CCCCNCOC df8adc2217c14747dfcdd9a13847d361 [0,2,0,0,0,0|1,0,1]=4 1333 B8R0.4 C#CCCCNCSC d1e7b7c6307a3a2fb9a77e08eeaa2e5c [0,2,0,0,0,0|1,0,0]=3 1334 B8R0.4 C#CCCCOCCC f6e548e043c266c18f3f2bc45e2b26e7 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.4 C#CCCCOCOC 396f346cd0a5757504fe3ce81de20dd4 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [0,2,0,0,0,0|1,0,0]=3 1337 B8R0.4 C#CCCNCCCC d822834a6bb9f412f2c9985f130cc8f3 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.4 C#CCCNCCCO 74bbabadd82ed586e64e71b666d35898 [0,2,0,0,0,0|1,0,1]=4 1339 B8R0.4 C#CCCNCCOC 08e62ace3404cee3ceba4678d3bff0ce [0,2,0,0,0,0|1,0,1]=4 1340 B8R0.4 C#CCCNCCON e4a2963c3729b7804b0d98ecba8018dc [0,2,0,0,0,0|1,0,1]=4 1341 B8R0.4 C#CCCNCCSC 0ffb0f65d63792827dae550b83359c51 [0,2,0,0,0,0|1,0,0]=3 1342 B8R0.4 C#CCCOCCCC 85c008a45b6353cea119cc5cda149ac2 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.4 C#CCCOCCOC 919a96412a1e4c793962b40a0d4bf31c [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.4 C#CCCOCCSC 25dc589773d3fea7b865bb1dd21ccf91 [0,2,0,0,0,0|1,0,0]=3 1345 B8R0.4 C#CCNCCCCC 6449ee4961bcec0a8b702070fb728670 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.4 C#CCNCCCCCl 1867391de6a5cc12e424dfa7fc80d769 [0,2,0,0,0,0|2,0,0]=4 1347 B8R0.4 C#CCNCCCCF 8d110c0b63d8cfee55435be016f2978a [0,2,0,0,0,0|2,0,0]=4 1348 B8R0.4 C#CCNCCCCO d42948e5f929eb2d4664076420e784e7 [0,2,0,0,0,0|1,0,0]=3 1349 B8R0.4 C#CCNCCCCS e344ac9edb6704accea8693b87a436bf [0,2,0,0,0,0|1,1,0]=4 1350 B8R0.4 C#CCNCCCOC ca16b081835a976ee67cb17341561d04 [0,2,0,0,0,0|1,0,1]=4 1351 B8R0.4 C#CCNCCCSC 2b3cc08e7dbd0ca3e268d49f603a07e3 [0,2,0,0,0,0|1,0,0]=3 1352 B8R0.4 C#CCNCCSCC 40d98a57cb45f0e17ec5887c9f82cb7c [0,2,0,0,0,0|1,0,1]=4 1353 B8R0.4 C#CCOCCCCC b060b391600b8a6b8af1e059657888e9 [0,2,0,0,0,0|1,1,0]=4 1354 B8R0.4 C#CCOCCCCF d625dd293087f9d297711b05eb7cb7f1 [0,2,0,0,0,0|1,1,0]=4 1355 B8R0.4 C#CCOCCCCS 08ffc40040f2b4e6c271a58c4d52d007 [0,2,0,0,0,0|0,2,0]=4 1356 B8R0.4 C#CCOCCCOC 30a8118957e99c5f37b721ef3e72eebb [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [0,2,0,0,0,0|1,0,0]=3 1358 B8R0.4 C#CCOCCNCO c7c2e9b8b0748c7f411185387df08f81 [0,2,0,0,0,0|1,0,1]=4 1359 B8R0.4 C#CCOCCSCC a29fc9ef5965efb64b51b39cd1c894a4 [0,2,0,0,0,0|1,0,1]=4 1360 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,2,0,0,0,0|1,0,1]=4 1361 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,2,0,0,0,0|2,0,0]=4 1363 B8R0.4 C/C=C/CCOCCF 1c459844ed5e19e9affe0f4ec9396afe [0,2,0,0,0,0|2,0,0]=4 1364 B8R0.4 C/C=C/CCOCCS e0f8b3598541264c88a5709e56116110 [0,2,0,0,0,0|1,1,0]=4 1365 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,2,0,0,0,0|1,0,1]=4 1366 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,2,0,0,0,0|1,0,1]=4 1367 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.4 C/C=C/CNCCCCl 03ba0747791691f90dfc81ef7ba2974e [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,2,0,0,0,0|1,0,0]=3 1370 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,2,0,0,0,0|1,0,1]=4 1371 B8R0.4 C/C=C/CNCCON 79737eab41f3bc36cd4a5b8364278811 [0,2,0,0,0,0|1,0,1]=4 1372 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [0,2,0,0,0,0|1,0,1]=4 1373 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,2,0,0,0,0|2,0,0]=4 1374 B8R0.4 C/C=C/COCCCF e8b66bfe85d6e28ae035ab00fcee9995 [0,2,0,0,0,0|2,0,0]=4 1375 B8R0.4 C/C=C/COCCCS a0fc1de5b11f9d0613f0ee9c6305a110 [0,2,0,0,0,0|1,1,0]=4 1376 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,2,0,0,0,0|1,0,1]=4 1378 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,2,0,0,0,0|1,0,1]=4 1379 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.4 C/C=C\CNCCCCl 3f4156c1c818ac8938afc4c777ade544 [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,2,0,0,0,0|1,0,0]=3 1383 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,2,0,0,0,0|1,0,1]=4 1384 B8R0.4 C/C=C\CNCCON 4fa0dc470c681851fa457e5a616dfedc [0,2,0,0,0,0|1,0,1]=4 1385 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [0,2,0,0,0,0|1,0,1]=4 1386 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,2,0,0,0,0|2,0,0]=4 1387 B8R0.4 C/C=C\COCCCF bd16a5f69481739098b25c0b9e7951a1 [0,2,0,0,0,0|2,0,0]=4 1388 B8R0.4 C/C=C\COCCCS e488e71b73205058cac2a8d332fe154b [0,2,0,0,0,0|1,1,0]=4 1389 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,2,0,0,0,0|1,0,1]=4 1390 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,2,0,0,0,0|1,0,1]=4 1391 B8R0.4 C=C=CCCOCSC c4ece8fa09205945e5a934f8cda688d9 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.4 C=CCCCCNCF 66d1b08c51ad91b8d794558a3082c457 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.4 C=CCCCCNCO 0b537372ef9331045a9745fddf549658 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,2,0,0,0,0|1,0,1]=4 1396 B8R0.4 C=CCCCCOCF 652425cff1f9489e7dc290eddd18987a [0,2,0,0,0,0|1,0,1]=4 1397 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.4 C=CCCCNCOC 617d1097d149d47807c995b2155094d5 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,2,0,0,0,0|1,0,0]=3 1401 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.4 C=CCCCOCOC 1dd3d998493040ba8df98fd517ea651d [0,2,0,0,0,0|1,0,1]=4 1403 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,2,0,0,0,0|1,0,0]=3 1404 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,2,0,0,0,0|1,0,1]=4 1406 B8R0.4 C=CCCNCCOC d3b2c39d815d8d99aea063862b21fe54 [0,2,0,0,0,0|1,0,1]=4 1407 B8R0.4 C=CCCNCCON 0de366875d2a68398e2cc136cda7011f [0,2,0,0,0,0|1,0,1]=4 1408 B8R0.4 C=CCCNCCSC edc60d95e6e1f18c1ede12af162c8143 [0,2,0,0,0,0|1,0,0]=3 1409 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,2,0,0,0,0|2,0,0]=4 1410 B8R0.4 C=CCCOCCOC 022351562bd5b75ccdae2ce8a7420e05 [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,2,0,0,0,0|1,0,0]=3 1412 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,2,0,0,0,0|2,0,0]=4 1413 B8R0.4 C=CCNCCCCCl 7aa8200102028ee39ddc7037de8d12db [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.4 C=CCNCCCCO 14862b294c4ab4be3b007c7c745e5432 [0,2,0,0,0,0|1,0,0]=3 1415 B8R0.4 C=CCNCCCCS 48716fb5cc0bbebca36df7c37e5da77d [0,2,0,0,0,0|1,1,0]=4 1416 B8R0.4 C=CCNCCCOC 923ce876ed91c87e8cbdf04842c12511 [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,2,0,0,0,0|1,0,0]=3 1418 B8R0.4 C=CCNCCSCC 608250712d81357a0c1b58128fe908dc [0,2,0,0,0,0|1,0,1]=4 1419 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,2,0,0,0,0|1,1,0]=4 1420 B8R0.4 C=CCOCCCCF 3ed7f37d0c490b735d4b7f46fe9299e9 [0,2,0,0,0,0|1,1,0]=4 1421 B8R0.4 C=CCOCCCCS 5ee463a1daba4f9e9a9624695a91cccc [0,2,0,0,0,0|0,2,0]=4 1422 B8R0.4 C=CCOCCCOC 6cdd1cb4e7f2bc1ad50092d2e92d5ed9 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,2,0,0,0,0|1,0,0]=3 1424 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,2,0,0,0,0|1,0,1]=4 1425 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,2,0,0,0,0|2,0,0]=4 1426 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [0,2,0,0,0,0|0,1,1]=4 1427 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [0,2,0,0,0,0|0,1,1]=4 1429 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [0,2,0,0,0,0|1,1,0]=4 1430 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,2,0,0,0,0|1,0,0]=3 1431 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.4 C=COCCOCOC 28985632a82f745364d35b6f4482f6c2 [0,2,0,0,0,0|1,1,0]=4 1433 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [0,2,0,0,0,0|1,0,0]=3 1434 B8R0.4 CC#CCCCOCC 05ec48180aea60ed674503bef15a5f38 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.4 CC#CCCCOCF 9e8ac33f54101809a3527ca3fb456bc4 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.4 CC#CCCOCCC 387cb960b2fced33dd26ab6a4fb5ee8c [0,2,0,0,0,0|2,0,0]=4 1437 B8R0.4 CC#CCCOCCF 52e5cd47e03dfbc66a39c899899d8e30 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.4 CC#CCCOCCS 4cf8bba0fcd3046d820f2419963771c0 [0,2,0,0,0,0|1,1,0]=4 1439 B8R0.4 CC#CCCOCOC 2fafef77642fc7756947cbc16368bb4d [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.4 CC#CCCOCSC 80b74f8165d1731d8886dd6019bd5d5a [0,2,0,0,0,0|1,0,1]=4 1441 B8R0.4 CC#CCNCCCC 92172ffefbb6c9e292f504492bf5dd32 [0,2,0,0,0,0|2,0,0]=4 1442 B8R0.4 CC#CCNCCCF bbacbc20b48ed325c385be6367e1c9cb [0,2,0,0,0,0|2,0,0]=4 1443 B8R0.4 CC#CCNCCCO 8452183b079d4b534410007ad00acc65 [0,2,0,0,0,0|1,0,0]=3 1444 B8R0.4 CC#CCNCCCS 5ea831b666869c8022415f011ef5462e [0,2,0,0,0,0|1,1,0]=4 1445 B8R0.4 CC#CCNCCOC 5b68d2255ff34ae1d6775f32457991d1 [0,2,0,0,0,0|1,0,1]=4 1446 B8R0.4 CC#CCNCCSC c78912118862da66915f570da9443650 [0,2,0,0,0,0|1,0,1]=4 1447 B8R0.4 CC#CCOCCCC 7f94de9642ccae29ed5e6282618d3bd1 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.4 CC#CCOCCCF 66740b3f5a5c5bbda9149f08d2d363f4 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.4 CC#CCOCCCS 9c7b28b6a7561f1c7d649b8a67b7c2da [0,2,0,0,0,0|1,1,0]=4 1450 B8R0.4 CC#CCOCCOC 55d9b367dd7e839d8e76e87c05504b58 [0,2,0,0,0,0|1,0,1]=4 1451 B8R0.4 CC#CCOCCSC 54026a423507e76e264159ea1eeff91a [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.4 CC/C=C/CNCCO 141b854b7ea740721874c3a88dd89e50 [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,2,0,0,0,0|1,0,1]=4 1455 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,2,0,0,0,0|1,0,1]=4 1456 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [0,2,0,0,0,0|1,0,1]=4 1457 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.4 CC=CCNCCCF b3c3f7a07d4c683b1310ea54eec73a0a [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,2,0,0,0,0|1,0,0]=3 1460 B8R0.4 CC=CCNCCCS 66bf4e52cf6c2fcd14ea89881803176b [0,2,0,0,0,0|1,1,0]=4 1461 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,2,0,0,0,0|1,0,1]=4 1462 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,2,0,0,0,0|2,0,0]=4 1464 B8R0.4 CC=CCOCCCF 51c4241747d1b03bd1ba385ed0abcd34 [0,2,0,0,0,0|2,0,0]=4 1465 B8R0.4 CC=CCOCCCS 9af21dfd25baf7f30dbe6942aafa9961 [0,2,0,0,0,0|1,1,0]=4 1466 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,2,0,0,0,0|1,0,1]=4 1467 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,2,0,0,0,0|1,0,1]=4 1468 B8R0.4 CCC#CCNCCO 342f8f12192ac298790b8242f1648c24 [0,2,0,0,0,0|1,0,1]=4 1469 B8R0.4 CCC#CCOCSC 57e6e566d9289fb60b2bd043f3fdc016 [0,2,0,0,0,0|1,0,1]=4 1470 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,2,0,0,0,0|1,0,1]=4 1472 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,2,0,0,0,0|2,0,0]=4 1473 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,2,0,0,0,0|2,0,0]=4 1474 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,2,0,0,0,0|1,0,0]=3 1475 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,2,0,0,0,0|1,0,0]=3 1476 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,2,0,0,0,0|1,0,0]=3 1477 B8R0.4 CCCCCNCC#N 0c9f40f537b6e3cc81cf454315cbd283 [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,2,0,0,0,0|1,0,1]=4 1479 B8R0.4 CCCCCNCCBr 089f5434d612eac8e3264fb2af68de09 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.4 CCCCCNCCC e1899f21e9e3263889e806dca2898495 [0,2,0,0,0,0|2,0,0]=4 1481 B8R0.4 CCCCCNCCF 08736e9d031b962149008af4dbbae1ec [0,2,0,0,0,0|2,0,0]=4 1482 B8R0.4 CCCCCNCCI 451535c8d9a592fc4903d9a80bb5e070 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,2,0,0,0,0|1,0,0]=3 1484 B8R0.4 CCCCCNCCS 8d24f5c417bfd50b34a0c81d07c624ad [0,2,0,0,0,0|1,1,0]=4 1485 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,2,0,0,0,0|1,0,0]=3 1486 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,2,0,0,0,0|1,0,0]=3 1487 B8R0.4 CCCCCOCC#N 000a9d63180c20d434c83376e668a582 [0,2,0,0,0,0|1,1,0]=4 1488 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,2,0,0,0,0|1,0,1]=4 1489 B8R0.4 CCCCCOCCC c08adbc8512009f4d669d9cfc0c3fe67 [0,2,0,0,0,0|1,1,0]=4 1490 B8R0.4 CCCCCOCCF b565148eef0c482ff0e6a7dc3e323e46 [0,2,0,0,0,0|1,1,0]=4 1491 B8R0.4 CCCCCOCCS c4cd0a419631483dc8c725004b7f7323 [0,2,0,0,0,0|1,1,0]=4 1492 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,2,0,0,0,0|1,0,0]=3 1493 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,2,0,0,0,0|1,0,0]=3 1494 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,2,0,0,0,0|1,0,1]=4 1495 B8R0.4 CCCCNCCC#N 21edaa6d14ae0b8b41d896f5ebbcc463 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,2,0,0,0,0|1,0,1]=4 1497 B8R0.4 CCCCNCCCC 83f5cde9216aaf13647a8beda79dab35 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.4 CCCCNCCCCl 0f00c3c3f44f250cab48b92e5412d8a7 [0,2,0,0,0,0|2,0,0]=4 1499 B8R0.4 CCCCNCCCF c8a2e79bdb0d1cc8343903c43e081085 [0,2,0,0,0,0|2,0,0]=4 1500 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,2,0,0,0,0|1,0,0]=3 1501 B8R0.4 CCCCNCCCS ebec18e8f39c6ffc0f0fe747a0704631 [0,2,0,0,0,0|1,1,0]=4 1502 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,2,0,0,0,0|1,0,0]=3 1503 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,2,0,0,0,0|1,0,0]=3 1504 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,2,0,0,0,0|1,0,0]=3 1505 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,2,0,0,0,0|1,1,0]=4 1506 B8R0.4 CCCCNCSC#N dfeda221abed111486763f2fd74e4e88 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.4 CCCCOCCC#N d96485889b3a21063dcc51f113b3be83 [0,2,0,0,0,0|2,0,0]=4 1508 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.4 CCCCOCCCC a5b0ef99667fb81b30d5c592594cbe40 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.4 CCCCOCCCF 45b018660e48781496e6d186d7b4c5cd [0,2,0,0,0,0|2,0,0]=4 1511 B8R0.4 CCCCOCCCS 0d2d1055462c2504dc523af75dd3766f [0,2,0,0,0,0|1,1,0]=4 1512 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,2,0,0,0,0|1,0,0]=3 1513 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,2,0,0,0,0|1,0,0]=3 1514 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [0,2,0,0,0,0|1,1,0]=4 1515 B8R0.4 CCCCOCSC#N 9c7075f55dbeb3f0f43910abd503e0d9 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.4 CCCNCC#CCO f4ac2da6fda4ff130e25482d383253d7 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.4 CCCNCCCC#N 0e4bb5c930d4405af9112d69df156b92 [0,2,0,0,0,0|2,0,0]=4 1518 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.4 CCCNCCCCCl 86d3fabc966fee554ec309bcdb6a6f42 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.4 CCCNCCCCF f801e13fe9947adffb3521a5945c4de9 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,2,0,0,0,0|1,0,0]=3 1522 B8R0.4 CCCNCCCCS e81cbea71a1d34af60d6fe3b38b1645e [0,2,0,0,0,0|1,1,0]=4 1523 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,2,0,0,0,0|1,0,0]=3 1524 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,2,0,0,0,0|1,0,0]=3 1525 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,2,0,0,0,0|1,1,0]=4 1526 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,2,0,0,0,0|1,0,0]=3 1527 B8R0.4 CCCOCCCC#N b3a2f594f5ca80ef3759bc59478543ea [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.4 CCCOCCCCF 4b4695bfbe072018bc890c8e6fdbfb83 [0,2,0,0,0,0|1,1,0]=4 1530 B8R0.4 CCCOCCCCS 0885ae66405cbad0900445dfe2d6de97 [0,2,0,0,0,0|0,2,0]=4 1531 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,2,0,0,0,0|1,0,0]=3 1532 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,2,0,0,0,0|1,0,0]=3 1533 B8R0.4 CCCOCCNCC 3ad8014459df89d50716c0dd5d41fb69 [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.4 CCCOCCNCF a9319f07478697381a5dccdb718d2320 [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,2,0,0,0,0|1,0,0]=3 1536 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,2,0,0,0,0|1,1,0]=4 1538 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,2,0,0,0,0|1,1,0]=4 1539 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,2,0,0,0,0|1,0,0]=3 1540 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,2,0,0,0,0|1,1,0]=4 1541 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,2,0,0,0,0|1,1,0]=4 1542 B8R0.4 CCNCCCCC#N 9e15e29ecbde2ec66e303cda1d143969 [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.4 CCNCCCCCCl d0609d1c7cda7ae2e8395ed8f09a6278 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,2,0,0,0,0|1,0,0]=3 1545 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,2,0,0,0,0|1,0,0]=3 1546 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,2,0,0,0,0|1,0,0]=3 1547 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,2,0,0,0,0|1,1,0]=4 1548 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [0,2,0,0,0,0|1,0,0]=3 1549 B8R0.4 CCNCCOCCS c3388bd6ae086c9b8dbf3a86d3508eb7 [0,2,0,0,0,0|1,1,0]=4 1550 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,2,0,0,0,0|1,0,0]=3 1551 B8R0.4 CCOCCCCC#N a89281f5bb95502482baedf76edf677f [0,2,0,0,0,0|1,1,0]=4 1552 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,2,0,0,0,0|0,1,1]=4 1553 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,2,0,0,0,0|0,1,0]=3 1554 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,2,0,0,0,0|0,0,0]=2 1555 B8R0.4 CCOCCCNCF c6a11378b9c44a817d79d2cae799cfcb [0,2,0,0,0,0|1,1,0]=4 1556 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,2,0,0,0,0|0,1,0]=3 1557 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,2,0,0,0,0|1,1,0]=4 1558 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,2,0,0,0,0|1,1,0]=4 1559 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,2,0,0,0,0|1,0,0]=3 1560 B8R0.4 CCOCCNCCBr 24d90c4b8e1e41e3d5a0a74399711bae [0,2,0,0,0,0|1,1,0]=4 1561 B8R0.4 CCOCCNCCF 0faef7540a48aa944230e6a301e4788b [0,2,0,0,0,0|1,1,0]=4 1562 B8R0.4 CCOCCNCCI f65e8675fe2e8893dceda2bbe3a9ec63 [0,2,0,0,0,0|1,1,0]=4 1563 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [0,2,0,0,0,0|0,1,0]=3 1564 B8R0.4 CCOCCNCCS ae3728d23412f412d31284f71a900d8b [0,2,0,0,0,0|0,2,0]=4 1565 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [0,2,0,0,0,0|1,1,0]=4 1566 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,2,0,0,0,0|1,0,0]=3 1567 B8R0.4 CCOCCOCCF de5dbf96542777ab66f236cc8c494a50 [0,2,0,0,0,0|1,1,0]=4 1568 B8R0.4 CCOCCOCCS 5aba6681f29eaa409e556a8d2831c051 [0,2,0,0,0,0|0,2,0]=4 1569 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [0,2,0,0,0,0|1,1,0]=4 1570 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [0,2,0,0,0,0|1,0,0]=3 1571 B8R0.4 CCOCNCCCCl 1846db9f15f7a8a85185f6bc4bad5303 [0,2,0,0,0,0|1,1,0]=4 1572 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [0,2,0,0,0,0|0,1,0]=3 1573 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [0,2,0,0,0,0|1,1,0]=4 1574 B8R0.4 CCOCNCCON 072d82705d35da15718af35238f91212 [0,2,0,0,0,0|1,1,0]=4 1575 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,2,0,0,0,0|1,0,0]=3 1576 B8R0.4 CCOCOCCCF 46d1dba63f6b597718627da78c4b8925 [0,2,0,0,0,0|1,1,0]=4 1577 B8R0.4 CCOCOCCCS 1394d614946e314ee48b201c438f266a [0,2,0,0,0,0|0,2,0]=4 1578 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [0,2,0,0,0,0|1,1,0]=4 1579 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [0,2,0,0,0,0|1,0,0]=3 1580 B8R0.4 CCSCCCNC#N 408d6cc405f2608ea2ee21cd7eaf0917 [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,2,0,0,0,0|1,0,0]=3 1582 B8R0.4 CCSCCNCC#N 2eec74bf94384535450201d4fdc214fc [0,2,0,0,0,0|1,0,1]=4 1583 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,2,0,0,0,0|0,0,2]=4 1584 B8R0.4 CCSCCNCCBr 18b371a3486fd29f983a244b8bfde3ea [0,2,0,0,0,0|1,0,0]=3 1585 B8R0.4 CCSCCNCCF 9d56908f4347d09f35dac4f68fcb0a75 [0,2,0,0,0,0|1,0,0]=3 1586 B8R0.4 CCSCCNCCI c3abc0a1de4318bb31881bc9af37ddb1 [0,2,0,0,0,0|1,0,0]=3 1587 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,2,0,0,0,0|0,0,0]=2 1588 B8R0.4 CCSCCNCCS d51bc62ea90e48fddf90b4539df61591 [0,2,0,0,0,0|0,1,0]=3 1589 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,2,0,0,0,0|1,0,0]=3 1590 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [0,2,0,0,0,0|1,0,0]=3 1591 B8R0.4 CCSCCOCC#N 043c2069d87b0e87ef3782e40a36920e [0,2,0,0,0,0|1,0,1]=4 1592 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,2,0,0,0,0|0,0,2]=4 1593 B8R0.4 CCSCCOCCF 3152acc3bf34398cc3029a904de2d9cf [0,2,0,0,0,0|1,0,0]=3 1594 B8R0.4 CCSCCOCCS b961b22c97ebb3dca7d6d173dec4f531 [0,2,0,0,0,0|0,1,0]=3 1595 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,2,0,0,0,0|1,0,0]=3 1596 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [0,2,0,0,0,0|1,0,0]=3 1597 B8R0.4 COCCCCNC#N 70fc41cf1abf143f82bd4ce3f422312e [0,2,0,0,0,0|1,0,1]=4 1598 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,2,0,0,0,0|0,1,1]=4 1599 B8R0.4 COCCCCNCF 02b595b8665bf6ad2985079f7ac0aeb1 [0,2,0,0,0,0|1,0,0]=3 1600 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,2,0,0,0,0|0,1,0]=3 1601 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,2,0,0,0,0|0,1,0]=3 1602 B8R0.4 COCCCNCC#N b242d64b876a0e1fe93c595a985aa41d [0,2,0,0,0,0|1,1,0]=4 1603 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,2,0,0,0,0|0,1,1]=4 1604 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [0,2,0,0,0,0|1,1,0]=4 1605 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [0,2,0,0,0,0|1,1,0]=4 1606 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [0,2,0,0,0,0|1,1,0]=4 1607 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [0,2,0,0,0,0|0,1,0]=3 1608 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [0,2,0,0,0,0|0,2,0]=4 1609 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [0,2,0,0,0,0|0,1,0]=3 1610 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,2,0,0,0,0|0,0,0]=2 1611 B8R0.4 COCCCOCC#N c35b3ae55d827aab3d6100ded7bddf6e [0,2,0,0,0,0|1,1,0]=4 1612 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,2,0,0,0,0|0,1,1]=4 1613 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [0,2,0,0,0,0|1,1,0]=4 1614 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [0,2,0,0,0,0|0,2,0]=4 1615 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [0,2,0,0,0,0|0,1,0]=3 1616 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,2,0,0,0,0|0,0,0]=2 1617 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [0,2,0,0,0,0|0,1,1]=4 1618 B8R0.4 COCCNCCC#N 43c289c2d252e238557ad5e314db3266 [0,2,0,0,0,0|1,1,0]=4 1619 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,2,0,0,0,0|0,1,1]=4 1620 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [0,2,0,0,0,0|1,1,0]=4 1621 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [0,2,0,0,0,0|1,1,0]=4 1622 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [0,2,0,0,0,0|0,1,0]=3 1623 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [0,2,0,0,0,0|0,2,0]=4 1624 B8R0.4 COCCNCCOC 7f69cc5c3d87f83720e2be24902d0af0 [0,2,0,0,0,0|0,1,0]=3 1625 B8R0.4 COCCNCCON 89199e813abd4798288aaf694ec385ef [0,2,0,0,0,0|0,1,0]=3 1626 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,2,0,0,0,0|0,0,0]=2 1627 B8R0.4 COCCNCSC#N 3af3112c618a462a3aa7fb45a5a875ab [0,2,0,0,0,0|1,0,1]=4 1628 B8R0.4 COCCOCCC#N a4844b9487eb0ea1ec50ff13a58eb0d7 [0,2,0,0,0,0|1,1,0]=4 1629 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,2,0,0,0,0|0,1,1]=4 1630 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [0,2,0,0,0,0|1,1,0]=4 1631 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [0,2,0,0,0,0|0,2,0]=4 1632 B8R0.4 COCCOCCOC b3f4861d575f20a0b2a5fdeb65250e49 [0,2,0,0,0,0|0,1,0]=3 1633 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,2,0,0,0,0|0,0,0]=2 1634 B8R0.4 COCCOCSC#N 17c26747055857d064604beb2499c21f [0,2,0,0,0,0|1,0,1]=4 1635 B8R0.4 COCNCC#CCO 1307cbbebcf0bb45ced93cb0a3c8703f [0,2,0,0,0,0|0,1,1]=4 1636 B8R0.4 COCNCCCC#N a4e0dc89a60cde7048c2048a868d6f57 [0,2,0,0,0,0|1,1,0]=4 1637 B8R0.4 COCNCCCCCl d47b66156d6f192dfb73b80cd35af2c2 [0,2,0,0,0,0|1,1,0]=4 1638 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [0,2,0,0,0,0|0,1,0]=3 1639 B8R0.4 COCNCCCCS a2c1ef24130e97b681aa9ad1afee8274 [0,2,0,0,0,0|0,2,0]=4 1640 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [0,2,0,0,0,0|0,0,0]=2 1641 B8R0.4 COCOCCCC#N a7262b670e7dbcbdbd1c28ecab6c39f1 [0,2,0,0,0,0|1,1,0]=4 1642 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [0,2,0,0,0,0|0,1,1]=4 1643 B8R0.4 COCOCCCCF 439027e7cee7c83bc2a5d7479ed3ff0e [0,2,0,0,0,0|1,1,0]=4 1644 B8R0.4 COCOCCCCS 6711c3ede78b89314526970b63403a62 [0,2,0,0,0,0|0,2,0]=4 1645 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [0,2,0,0,0,0|0,0,0]=2 1646 B8R0.4 COCOCCOC=O 773d5ab92f0785e20c35a5ecfa8aef71 [0,2,0,0,0,0|1,1,0]=4 1647 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,2,0,0,0,0|0,0,1]=3 1648 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,2,0,0,0,0|1,0,0]=3 1649 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,2,0,0,0,0|0,0,0]=2 1650 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,2,0,0,0,0|0,0,0]=2 1651 B8R0.4 CSCCCNCC#N 165f98d70570f4cd41fba0a703555e9a [0,2,0,0,0,0|1,0,0]=3 1652 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,2,0,0,0,0|0,0,1]=3 1653 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,2,0,0,0,0|1,0,0]=3 1654 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,2,0,0,0,0|1,0,0]=3 1655 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,2,0,0,0,0|1,0,0]=3 1656 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,2,0,0,0,0|0,0,0]=2 1657 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,2,0,0,0,0|0,1,0]=3 1658 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [0,2,0,0,0,0|0,1,0]=3 1659 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [0,2,0,0,0,0|1,0,0]=3 1660 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,2,0,0,0,0|0,0,1]=3 1661 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [0,2,0,0,0,0|1,0,0]=3 1662 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [0,2,0,0,0,0|0,1,0]=3 1663 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [0,2,0,0,0,0|0,1,0]=3 1664 B8R0.4 CSCCNC/C=C/Cl 823a1a5b76c19d884fb910b8f19886f1 [0,2,0,0,0,0|1,0,1]=4 1665 B8R0.4 CSCCNC/C=C\Cl f80b9aaf0cbd8ef0882811815e458c7f [0,2,0,0,0,0|1,0,1]=4 1666 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,2,0,0,0,0|0,0,1]=3 1667 B8R0.4 CSCCNCCC#N a0acae4cf5595d98d145d1c7ad0cdff1 [0,2,0,0,0,0|1,0,0]=3 1668 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,2,0,0,0,0|0,0,1]=3 1669 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,2,0,0,0,0|1,0,0]=3 1670 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,2,0,0,0,0|1,0,0]=3 1671 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,2,0,0,0,0|0,0,0]=2 1672 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,2,0,0,0,0|0,1,0]=3 1673 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,2,0,0,0,0|0,0,0]=2 1674 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,2,0,0,0,0|0,1,0]=3 1675 B8R0.4 CSCCNCSC#N f0b056db023fc660557be249e2da064f [0,2,0,0,0,0|1,0,1]=4 1676 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,2,0,0,0,0|1,0,1]=4 1677 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.4 CSCCOCC#CI ce5d5ceed8257d05e5b9f55277bfa9e2 [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.4 CSCCOCCC#N 8f26ba09caeb7d07b3d9a153be269494 [0,2,0,0,0,0|1,0,0]=3 1681 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,2,0,0,0,0|0,0,1]=3 1682 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,2,0,0,0,0|1,0,0]=3 1683 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,2,0,0,0,0|0,1,0]=3 1684 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [0,2,0,0,0,0|0,1,0]=3 1685 B8R0.4 CSCCOCSC#N b0e8097cd7171b01f502d6b2451628a9 [0,2,0,0,0,0|1,0,1]=4 1686 B8R0.4 CSCNCC#CCO 347ca15394a1030780fd8e985473fea6 [0,2,0,0,0,0|0,0,1]=3 1687 B8R0.4 CSCNCCCC#N cec4adb0696a70e08df2d4885f4d5d2e [0,2,0,0,0,0|1,0,0]=3 1688 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,2,0,0,0,0|1,0,0]=3 1689 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,2,0,0,0,0|0,0,0]=2 1690 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,2,0,0,0,0|0,1,0]=3 1691 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [0,2,0,0,0,0|1,0,0]=3 1692 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,2,0,0,0,0|0,0,1]=3 1693 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,2,0,0,0,0|1,0,0]=3 1694 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,2,0,0,0,0|0,1,0]=3 1695 B8R0.4 CSCOCCNC=O 06cab0f55d10d488e369b65237bc7019 [0,2,0,0,0,0|0,0,2]=4 1696 B8R0.4 CSCOCCOC=O 6b8870cbaaae325b360a7cd8be5fab08 [0,2,0,0,0,0|1,0,0]=3 1697 B8R0.4 FCCCCNCCBr 1bc9dcab92a1f12330accfd2e72e14d6 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.4 FCCCCNCCF b075693ceddaf7fa11043e144c2816af [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.4 FCCCCNCCI ae7ed6aebf6c4a1c34a09e82d047c2a9 [0,2,0,0,0,0|2,0,0]=4 1700 B8R0.4 FCCCCNCCS 816bb59d91997d2c1bc92b7c0f6e366d [0,2,0,0,0,0|1,1,0]=4 1701 B8R0.4 FCCCCOCCF 17e41dc14ab54f79884ac156b3d1ba74 [0,2,0,0,0,0|1,1,0]=4 1702 B8R0.4 FCCCCOCCS e510e523279ca95973ccf48144b1bca7 [0,2,0,0,0,0|1,1,0]=4 1703 B8R0.4 FCCCNCCCCl 61f0c1078fb9a5f585e48809f4300baf [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.4 FCCCOCCCF e373f4a6b2c7dc09eddb397d23d9d066 [0,2,0,0,0,0|2,0,0]=4 1705 B8R0.4 FCCCOCCCS a95e3eb0421bef7333721cdcdbd3bc4b [0,2,0,0,0,0|1,1,0]=4 1706 B8R0.4 FCCNCCCCCl 1975b8307faa11448c1bdf8992af87f1 [0,2,0,0,0,0|2,0,0]=4 1707 B8R0.4 FCCNCCCCS 8ed200c082c73abc8837abac0f9d569b [0,2,0,0,0,0|1,1,0]=4 1708 B8R0.4 FCCOCCCCS bc8da81f510b1c1aea4df0919b9f364c [0,2,0,0,0,0|0,2,0]=4 1709 B8R0.4 FCCOCCOCF 50faf2dad833fe3e63e98bde9468a2dc [0,2,0,0,0,0|1,1,0]=4 1710 B8R0.4 FCNCCCCCCl bd9b55a0e75ce920cf8d77e10ce4c39a [0,2,0,0,0,0|2,0,0]=4 1711 B8R0.4 FCNCCOCCS 81c3ea799373ab4388a0e02673ec8aa3 [0,2,0,0,0,0|1,1,0]=4 1712 B8R0.4 FCOCCOCCS 116791f236e7274b8239c1c779308cdb [0,2,0,0,0,0|0,2,0]=4 1713 B8R0.4 N#CCCCCNCF 6d94339be60e3e5f16f4a0b369d0ecce [0,2,0,0,0,0|2,0,0]=4 1714 B8R0.4 N#CCCCCNCO b6c56dbe4ec4be1fb74a7aa3f8c9d63c [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.4 N#CCCCCOCF 0b8465fad70127acaab8ad0d6668ac0e [0,2,0,0,0,0|1,1,0]=4 1716 B8R0.4 N#CCCCNCCO 1dbf1dfb1c947fbab873cfb67d68498d [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.4 N#CCCNCCCO 03e45c8fdb4434cec08ca61a1346d851 [0,2,0,0,0,0|1,0,1]=4 1718 B8R0.4 N#CCCNCCON ee3f7fafc8b503c92931d54bd5b3c449 [0,2,0,0,0,0|2,0,0]=4 1719 B8R0.4 N#CCNCCCCCl 64cffd22659d076d8e5ed89a536f0a7b [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.4 N#CCNCCCCF 420862cb0c46a5448983ec0b9086a8df [0,2,0,0,0,0|2,0,0]=4 1721 B8R0.4 N#CCNCCCCO b77909d4a72cb9821a3b38b67388a721 [0,2,0,0,0,0|1,0,0]=3 1722 B8R0.4 N#CCNCCCCS 95731551881dc28826199a6fba4c13fc [0,2,0,0,0,0|1,1,0]=4 1723 B8R0.4 N#CCOCCCCF fbb8b2b491f4e2209beccd9a28f015a6 [0,2,0,0,0,0|1,1,0]=4 1724 B8R0.4 N#CCOCCCCS a9c7636b0cd5c413edef62b885d60b8e [0,2,0,0,0,0|0,2,0]=4 1725 B8R0.4 N#CNCCCCCO d583c9789e660923ecc814b67aac885f [0,2,0,0,0,0|1,0,1]=4 1726 B8R0.4 N#CNCCCCON b793d36884ddee4c643e18115d0b7415 [0,2,0,0,0,0|1,0,1]=4 1727 B8R0.4 N#CNCCOCCO 09ed6ab0a5e3f4dd0b56b1cf2a8512d3 [0,2,0,0,0,0|1,0,1]=4 1728 B8R0.4 N#CSCNCCCCl ee91c0771ff6d97536464c489dce5168 [0,2,0,0,0,0|1,0,1]=4 1729 B8R0.4 N#CSCNCCCO 41750ab34f77d5f6c86c0554fc769e7d [0,2,0,0,0,0|0,0,1]=3 1730 B8R0.4 N#CSCNCCON e28c180f5663b215335099b01ad08e88 [0,2,0,0,0,0|1,0,1]=4 1731 B8R0.4 N#CSCOCCCF 6b6b4227b78422140f87257cec2f2f41 [0,2,0,0,0,0|1,0,1]=4 1732 B8R0.4 N#CSCOCCCS 9cc0dd1c1cfcd9c525da793d1486525a [0,2,0,0,0,0|0,1,1]=4 1733 B8R0.4 NOCCNCCC=O a28664bdd7f1423388d38847fe6fa46f [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.4 NOCCNCCCF 8483cad025896473acdf0dcb905aa8c1 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.4 NOCCNCCCO 774001fb7b569048dbf3827ed251d91b [0,2,0,0,0,0|1,1,0]=4 1736 B8R0.4 NOCCNCCCS 472fcce172ae40137cb5077898e16ed7 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [0,2,0,0,0,0|1,0,1]=4 1738 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [0,2,0,0,0,0|0,1,1]=4 1739 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,2,0,0,0,0|1,0,1]=4 1740 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,2,0,0,0,0|1,0,1]=4 1741 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,2,0,0,0,0|2,0,0]=4 1742 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,2,0,0,0,0|1,0,0]=3 1743 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,2,0,0,0,0|1,1,0]=4 1744 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,2,0,0,0,0|1,1,0]=4 1745 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,2,0,0,0,0|0,2,0]=4 1746 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,2,0,0,0,0|1,0,1]=4 1747 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,2,0,0,0,0|1,0,1]=4 1748 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,2,0,0,0,0|1,0,1]=4 1749 B8R0.4 OCC#CCNCCO a38918e0210fa7aaa13e77b17dff5be4 [0,2,0,0,0,0|1,0,1]=4 1750 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,2,0,0,0,0|1,0,0]=3 1751 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,2,0,0,0,0|1,0,0]=3 1752 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [0,2,0,0,0,0|1,0,0]=3 1753 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [0,2,0,0,0,0|1,0,0]=3 1754 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [0,2,0,0,0,0|1,0,0]=3 1755 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [0,2,0,0,0,0|1,0,0]=3 1756 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [0,2,0,0,0,0|1,0,0]=3 1757 B8R0.4 OCCCNC/C=C/Cl a17a1b53f58468b152bb7bf06941b0c6 [0,2,0,0,0,0|1,0,1]=4 1758 B8R0.4 OCCCNC/C=C\Cl 523d4e539a4b22a363005ae021d9b8b4 [0,2,0,0,0,0|1,0,1]=4 1759 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [0,2,0,0,0,0|1,0,0]=3 1760 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [0,2,0,0,0,0|1,0,0]=3 1761 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [0,2,0,0,0,0|1,0,0]=3 1762 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [0,2,0,0,0,0|1,0,0]=3 1763 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [0,2,0,0,0,0|1,0,0]=3 1764 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [0,2,0,0,0,0|1,0,0]=3 1765 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [0,2,0,0,0,0|1,0,0]=3 1766 B8R0.4 OCCOCCNCF 1688f9d4b94d3d27a20aedeebca8507f [0,2,0,0,0,0|1,0,0]=3 1767 B8R0.4 OCCOCCNCO b8376885fd98d838d1a745a28251ecc5 [0,2,0,0,0,0|1,0,0]=3 1768 B8R0.4 OCCSCCNCF cb5b3cf00adab2a34aa5e895e0a9f1fa [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.4 OCCSCCNCO 3980bb589c09e1402dc3f13ea70bae04 [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.4 OCNCCOCCS 571ee11f0d3575a556c292dd6fae310f [0,2,0,0,0,0|1,1,0]=4 1772 B8R0.4 SCCCCNCCS bbc20384e5a691b033ac2653063e3ebf [0,2,0,0,0,0|1,1,0]=4 1773 B8R0.4 SCCCCOCCS 99ee8ef0ab9592fe877786d3b31651be [0,2,0,0,0,0|0,2,0]=4 1774 B8R0.4 SCCCNCCCCl 6fdfe443a1562b7aec0e4a4555e2e602 [0,2,0,0,0,0|1,1,0]=4 1775 B8R0.4 SCCCOCCCS b365a2c2ba6de0483f721999d9724a99 [0,2,0,0,0,0|1,1,0]=4 1776 B8R0.4 SCCNCCCCCl 74b3cd616c7f88cf9fb2283763fb5c22 [0,2,0,0,0,0|1,1,0]=4 1777 B8R0.6 C#CC(C)NCCCO 5695008b6e686f1d3515ae64dcbfd5e3 [0,2,0,0,0,0|1,0,1]=4 1778 B8R0.6 C#CC(C)NCCSC a9e885edc9802bcd8adbff901d19adf3 [0,2,0,0,0,0|1,0,1]=4 1779 B8R0.6 C#CC(C)OCCSC d6b22fe23f522e8f889574142a499004 [0,2,0,0,0,0|1,0,1]=4 1780 B8R0.6 C#CCCNC(C)CO bd125bcf60acb00eb012e341efeceee1 [0,2,0,0,0,0|1,0,1]=4 1781 B8R0.6 C#CCCN[C@@H](C)CO f40c5290647210dbcdd01337c55b86f9 [0,2,0,0,0,0|1,0,1]=4 1782 B8R0.6 C#CCCN[C@H](C)CO 92603e7476a039c3558c8e59f681d91c [0,2,0,0,0,0|1,0,1]=4 1783 B8R0.6 C#CCNCC(C)CO 4dafaea07cd1d2c4fd8d1eef01bb163c [0,2,0,0,0,0|1,0,1]=4 1784 B8R0.6 C#CCNCC(F)CO 453be563e0dbcd8a776eac87d10fe0c3 [0,2,0,0,0,0|1,0,1]=4 1785 B8R0.6 C#CCNCC(O)CO 5dfeb2103cac40b3fae052d83a04ac8b [0,2,0,0,0,0|1,0,1]=4 1786 B8R0.6 C#CCNC[C@@H](C)CO be172572d975451509ddd0021c65cb13 [0,2,0,0,0,0|1,0,1]=4 1787 B8R0.6 C#CCNC[C@@H](F)CO 4a69202386c75d7365fa38be38875fa8 [0,2,0,0,0,0|1,0,1]=4 1788 B8R0.6 C#CCNC[C@@H](O)CO 59b1c076b9e6e3b25fadb15e582e86c0 [0,2,0,0,0,0|1,0,1]=4 1789 B8R0.6 C#CCNC[C@H](C)CO 81b9352d99df0103677975ec9eadacc5 [0,2,0,0,0,0|1,0,1]=4 1790 B8R0.6 C#CCNC[C@H](F)CO f815a417a0251d4e9f1f510b153c5059 [0,2,0,0,0,0|1,0,1]=4 1791 B8R0.6 C#CCNC[C@H](O)CO 5f58959add7828b94445afd40544e1aa [0,2,0,0,0,0|1,0,1]=4 1792 B8R0.6 C#CCOCC(O)CO 7a8d30b1a8389e8b4b076524cba23b01 [0,2,0,0,0,0|1,0,1]=4 1793 B8R0.6 C#CCOC[C@@H](O)CO e823c0e446eb476ca3e17e46d76de45c [0,2,0,0,0,0|1,0,1]=4 1794 B8R0.6 C#CCOC[C@H](O)CO 19e14d2ac6468201bac6a94c6780bd8d [0,2,0,0,0,0|1,0,1]=4 1795 B8R0.6 C#C[C@@H](C)NCCCO 7cfbf49d28ccc61526b3275daf51ec17 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.6 C#C[C@@H](C)NCCSC 5269dd065a92b6f33f86981441b3809c [0,2,0,0,0,0|1,0,1]=4 1797 B8R0.6 C#C[C@@H](C)OCCSC e50a58f5ccae490d6355478f26a54946 [0,2,0,0,0,0|1,0,1]=4 1798 B8R0.6 C#C[C@H](C)NCCCO 634aff1d670f6154e19400816c693df3 [0,2,0,0,0,0|1,0,1]=4 1799 B8R0.6 C#C[C@H](C)NCCSC 0d3c502dd79f296e487f234497bf7252 [0,2,0,0,0,0|1,0,1]=4 1800 B8R0.6 C#C[C@H](C)OCCSC 8d841c2dac211e510b6459052038b3d0 [0,2,0,0,0,0|1,0,1]=4 1801 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [0,2,0,0,0,0|1,0,1]=4 1802 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [0,2,0,0,0,0|1,0,1]=4 1803 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [0,2,0,0,0,0|1,0,1]=4 1804 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [0,2,0,0,0,0|1,0,1]=4 1805 B8R0.6 C/C=C\CN[C@@H](C)CO 1658aa06967e9cc30f7dd209c8879a92 [0,2,0,0,0,0|1,0,1]=4 1806 B8R0.6 C/C=C\CN[C@H](C)CO e751366bb6353bf65b49aa5f12cb2d06 [0,2,0,0,0,0|1,0,1]=4 1807 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,2,0,0,0,0|1,0,1]=4 1808 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,2,0,0,0,0|0,1,1]=4 1809 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,2,0,0,0,0|1,0,1]=4 1810 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,2,0,0,0,0|2,0,0]=4 1811 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,2,0,0,0,0|1,0,1]=4 1812 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,2,0,0,0,0|1,0,1]=4 1813 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,2,0,0,0,0|1,0,1]=4 1814 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,2,0,0,0,0|1,0,1]=4 1815 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,2,0,0,0,0|1,0,1]=4 1817 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,2,0,0,0,0|1,1,0]=4 1818 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,2,0,0,0,0|1,0,0]=3 1819 B8R0.6 C=CCCCN(C)CO 60383a05b98647585562faefac549271 [0,2,0,0,0,0|1,0,1]=4 1820 B8R0.6 C=CCCNC(C)CO 4c19367b66c3870cb1b9b059820dfae4 [0,2,0,0,0,0|1,0,1]=4 1821 B8R0.6 C=CCCN[C@@H](C)CO bd75d5ba5552ec3b4468e50c48f577dc [0,2,0,0,0,0|1,0,1]=4 1822 B8R0.6 C=CCCN[C@H](C)CO dcb6aa26546bb9950f8526419d01344b [0,2,0,0,0,0|1,0,1]=4 1823 B8R0.6 C=CCNCC(C)CO 0349751dd72119d1ec86991336485e44 [0,2,0,0,0,0|1,0,1]=4 1824 B8R0.6 C=CCNCC(F)CO 3273093c24bd04a1388c4be3f055a1bd [0,2,0,0,0,0|1,0,1]=4 1825 B8R0.6 C=CCNCC(O)CO 12d9c7ed6f0bf5fa1ee3b1fd1316b921 [0,2,0,0,0,0|1,0,1]=4 1826 B8R0.6 C=CCNC[C@@H](F)CO dafaeca7b3733d0b2d5cbf1a0965d5be [0,2,0,0,0,0|1,0,1]=4 1827 B8R0.6 C=CCNC[C@@H](O)CO d201d03248462fb29c2769fa551c9908 [0,2,0,0,0,0|1,0,1]=4 1828 B8R0.6 C=CCNC[C@H](C)CO 83df800fa1fe19eaa9c32210c081717f [0,2,0,0,0,0|1,0,1]=4 1829 B8R0.6 C=CCNC[C@H](F)CO ca8ee44d16ad2f6912e3c6ad8291cb79 [0,2,0,0,0,0|1,0,1]=4 1830 B8R0.6 C=CCNC[C@H](O)CO 16898f67ff229b2336da87db45ab0890 [0,2,0,0,0,0|1,0,1]=4 1831 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,2,0,0,0,0|1,0,1]=4 1832 B8R0.6 CC#CCNC(C)CO 23e225c7d8666e7cd9fab71c3c02027b [0,2,0,0,0,0|1,0,1]=4 1833 B8R0.6 CC#CCN[C@@H](C)CO 1068d83bc36bbc672c0603497ce936ec [0,2,0,0,0,0|1,0,1]=4 1834 B8R0.6 CC#CCN[C@H](C)CO 2fcdc2f813137919a6a940204b2c29f8 [0,2,0,0,0,0|1,0,1]=4 1835 B8R0.6 CC(C#N)CNCCO ea131cb3d4d88a2d04b70b20cedb1fa6 [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.6 CC(C#N)NCCCO af1424d1b810eaf76a219a918f4f4c17 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|2,0,0]=4 1838 B8R0.6 CC(CO)CCNC#N 479963c583d3a8dddb3bb9a8e267fd9e [0,2,0,0,0,0|1,0,1]=4 1839 B8R0.6 CC(CO)CCNC=O 39cb296f33f08cf60badb1105cd0e264 [0,2,0,0,0,0|1,0,1]=4 1840 B8R0.6 CC(CO)CCNCF 0ad022df943d764ef145e0f8d30541a7 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.6 CC(CO)CCNCO 4f74fd9c430ee94cbd99d6a6caafb46e [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.6 CC(CO)CNCC#N 19191138a32c85497460d7014800e5aa [0,2,0,0,0,0|2,0,0]=4 1843 B8R0.6 CC(CO)CNCC=O 18b721b702015f9166f9e0a533c4ee44 [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.6 CC(CO)CNCCBr d121d103935777f751c1c7b6b5f9b62f [0,2,0,0,0,0|2,0,0]=4 1845 B8R0.6 CC(CO)CNCCF 88c6f1091bf9f5c91a3f9be8331f0eb2 [0,2,0,0,0,0|2,0,0]=4 1846 B8R0.6 CC(CO)CNCCI 8370d8f29561179547fc3444e79dfad7 [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.6 CC(CO)CNCCO 999d507f7ca6cc28527d7a2703f569b7 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.6 CC(CO)CNCCS afcdeaa8fef3530e70b1f054b0bb82c1 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.6 CC(CO)NCCC#N 599351de4645639bced86f46d0a39d56 [0,2,0,0,0,0|2,0,0]=4 1850 B8R0.6 CC(CO)NCCC=O 2a49eedaae162f27c224c004e49e642c [0,2,0,0,0,0|2,0,0]=4 1851 B8R0.6 CC(CO)NCCCCl 445654afe332a8f4e48709b338e385a8 [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.6 CC(CO)NCCCF 628689b624b32c3b4fdc5cadc93b28b3 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.6 CC(CO)NCCCO 499b6197ac53017ec71cd3e4679adfdc [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.6 CC(CO)NCCCS 3c0f32602249770b39d3cf2b86ad6dd2 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.6 CC(CO)NCCON 2d87d48dbc6882830ae343f7f3a8c35b [0,2,0,0,0,0|1,1,0]=4 1856 B8R0.6 CC(CO)NCSC#N 9e39b8a55ab909eb81fdf1d7d5e138af [0,2,0,0,0,0|1,0,1]=4 1857 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [0,2,0,0,0,0|1,0,1]=4 1858 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [0,2,0,0,0,0|1,0,1]=4 1859 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [0,2,0,0,0,0|1,0,1]=4 1860 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|1,0,1]=4 1861 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|1,0,1]=4 1862 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|1,0,1]=4 1863 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,2,0,0,0,0|1,0,1]=4 1864 B8R0.6 CCC(C)CCNCF f015aff687b1ff0add996f7f0d7f62f2 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,2,0,0,0,0|1,0,0]=3 1866 B8R0.6 CCC(C)CCOCF ad49fb93dbc6e5096875ca8b33e35d2e [0,2,0,0,0,0|1,1,0]=4 1867 B8R0.6 CCC(C)CNCCBr f2c1acb694015090e62b525b7fcc63c1 [0,2,0,0,0,0|2,0,0]=4 1868 B8R0.6 CCC(C)CNCCF 2769db0f6fb5ed4083dc6fe23af3689f [0,2,0,0,0,0|2,0,0]=4 1869 B8R0.6 CCC(C)CNCCI 3d06760a9b56f4c07583e19b707193ff [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,2,0,0,0,0|1,0,0]=3 1871 B8R0.6 CCC(C)CNCCS 5c126473eb834dd2e643033d1f0f9ac2 [0,2,0,0,0,0|1,1,0]=4 1872 B8R0.6 CCC(C)CNCOC 13c5f2ed1d7a15909177c430e4e9ec33 [0,2,0,0,0,0|1,1,0]=4 1873 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,2,0,0,0,0|1,0,0]=3 1874 B8R0.6 CCC(C)COCCF 234df3c7bd373782f0b57a992ab93926 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.6 CCC(C)COCCS 16a35ab92232b38df6f41f25daef241c [0,2,0,0,0,0|1,1,0]=4 1876 B8R0.6 CCC(C)COCOC 6dd199421c9efff2fe4c863bf565046e [0,2,0,0,0,0|1,1,0]=4 1877 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,2,0,0,0,0|1,0,0]=3 1878 B8R0.6 CCC(C)NCCCCl 3c30fde6c5168ee70cde18df169dc1ce [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.6 CCC(C)NCCCF 67c9382accd96be051c233c106bd6818 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,2,0,0,0,0|1,0,0]=3 1881 B8R0.6 CCC(C)NCCCS 305cc88eaf0bb6e07e1ce30e503bc156 [0,2,0,0,0,0|1,1,0]=4 1882 B8R0.6 CCC(C)NCCOC c25488696c4e2089a7e730cde3ffad4c [0,2,0,0,0,0|1,1,0]=4 1883 B8R0.6 CCC(C)NCCON 6395e58d539f3295d755078dcbfef5b5 [0,2,0,0,0,0|2,0,0]=4 1884 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,2,0,0,0,0|1,0,0]=3 1885 B8R0.6 CCC(C)OCCCF 7608266ccc7b050cb1109bc78c6b6506 [0,2,0,0,0,0|2,0,0]=4 1886 B8R0.6 CCC(C)OCCCS 59569899c7c7ea5a22586613c30dc74b [0,2,0,0,0,0|1,1,0]=4 1887 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,2,0,0,0,0|1,1,0]=4 1888 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,2,0,0,0,0|1,0,0]=3 1889 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,2,0,0,0,0|1,0,0]=3 1893 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,2,0,0,0,0|1,1,0]=4 1894 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,2,0,0,0,0|1,1,0]=4 1895 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,2,0,0,0,0|1,0,0]=3 1896 B8R0.6 CCC(S)CCOCF fd9f97763905898c36d44cc90e7d0d91 [0,2,0,0,0,0|1,1,0]=4 1897 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.6 CCCCCN(C)CF 8024733ae25e28b26397cb54377f95de [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,2,0,0,0,0|1,0,0]=3 1901 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|1,0,1]=4 1902 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,2,0,0,0,0|1,0,0]=3 1904 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,2,0,0,0,0|1,0,0]=3 1906 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,2,0,0,0,0|1,0,0]=3 1908 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.6 CCCCOC(C)CF a8ece2c1a6b1bbd17ac97ecec5d3d5f9 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.6 CCCCOC(C)CS ae59cde7367219dda072a597238ebf81 [0,2,0,0,0,0|1,1,0]=4 1911 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.6 CCCCO[C@H](C)CS 4909bf9ebce22969b4138fac2a65fc31 [0,2,0,0,0,0|1,1,0]=4 1914 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,1]=4 1915 B8R0.6 CCCNCC(Br)CBr d2a5ecd1bc3d122593813288dad63c81 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,2,0,0,0,0|1,0,0]=3 1918 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,2,0,0,0,0|1,1,0]=4 1919 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,2,0,0,0,0|1,0,0]=3 1920 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,2,0,0,0,0|1,0,0]=3 1923 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,2,0,0,0,0|1,0,0]=3 1925 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,2,0,0,0,0|1,1,0]=4 1926 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,2,0,0,0,0|1,0,0]=3 1927 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,2,0,0,0,0|1,0,0]=3 1928 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,2,0,0,0,0|2,0,0]=4 1929 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,2,0,0,0,0|1,0,0]=3 1930 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,2,0,0,0,0|1,1,0]=4 1931 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,2,0,0,0,0|1,0,0]=3 1932 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,2,0,0,0,0|2,0,0]=4 1933 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,2,0,0,0,0|1,0,0]=3 1934 B8R0.6 CCCOCC(Br)CBr 9f1724a351782abba439136f5d6e69ae [0,2,0,0,0,0|2,0,0]=4 1935 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,2,0,0,0,0|2,0,0]=4 1936 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,2,0,0,0,0|1,1,0]=4 1937 B8R0.6 CCCOCC(Cl)CCl c7ce8d11365429ed620b78ba0ffd1b9b [0,2,0,0,0,0|2,0,0]=4 1938 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.6 CCCOCC(S)CS 813ac28dc006bde4dc5199312c0bbd6f [0,2,0,0,0,0|1,1,0]=4 1940 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,2,0,0,0,0|2,0,0]=4 1941 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,2,0,0,0,0|1,1,0]=4 1942 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,2,0,0,0,0|1,0,0]=3 1943 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,2,0,0,0,0|1,1,0]=4 1945 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,2,0,0,0,0|1,0,0]=3 1946 B8R0.6 CCN(C)CCCCF 9cba963fe29e0e981772352c51d7f232 [0,2,0,0,0,0|2,0,0]=4 1947 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,2,0,0,0,0|1,0,0]=3 1948 B8R0.6 CCN(C)CCCOC 9daef8ee27bac836bae693fac9c07495 [0,2,0,0,0,0|1,1,0]=4 1949 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,2,0,0,0,0|1,0,0]=3 1950 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,2,0,0,0,0|1,0,0]=3 1952 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,2,0,0,0,0|1,0,0]=3 1953 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,2,0,0,0,0|1,1,0]=4 1955 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,2,0,0,0,0|1,1,0]=4 1956 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,2,0,0,0,0|1,1,0]=4 1957 B8R0.6 CCOCCN(C)CO b65808a1feae7a64adfe4a5fe7b8d2d1 [0,2,0,0,0,0|1,1,0]=4 1958 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,2,0,0,0,0|1,1,0]=4 1959 B8R0.6 CCOCNC(C)CO 5ebcdf59239cfcc35f4b7f61ea4515b6 [0,2,0,0,0,0|1,1,0]=4 1960 B8R0.6 CCOCN[C@@H](C)CO 3158c0d2f8da9a26d663d5ea0a2a9bf3 [0,2,0,0,0,0|1,1,0]=4 1961 B8R0.6 CCOCN[C@H](C)CO 4ab6995009caf0fe7f374102e397ab9f [0,2,0,0,0,0|1,1,0]=4 1962 B8R0.6 CCSCCN(C)CC 077f8ad0cd3fd5bb632eef062cc525ef [0,2,0,0,0,0|2,0,0]=4 1963 B8R0.6 CC[C@@H](C)CNCCBr 97d367e508fd39dc3ddcec44a8683cec [0,2,0,0,0,0|2,0,0]=4 1964 B8R0.6 CC[C@@H](C)CNCCF 371b9b1c5529111d353d598e0b5660cb [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.6 CC[C@@H](C)CNCCI 32d54f8cdc3ec06753f18e3bb05477b7 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,2,0,0,0,0|1,0,0]=3 1967 B8R0.6 CC[C@@H](C)CNCCS e87b39ea520a94f7427ff9e1f94a277c [0,2,0,0,0,0|1,1,0]=4 1968 B8R0.6 CC[C@@H](C)COCCF e20d781119f6b53ffb68ed6751ccaab2 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.6 CC[C@@H](C)COCCS 234dff13be40377c551514da0380e41f [0,2,0,0,0,0|1,1,0]=4 1970 B8R0.6 CC[C@@H](C)COCOC a052b0577e11ad1f5f6decbf2a414fe8 [0,2,0,0,0,0|1,1,0]=4 1971 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,2,0,0,0,0|1,0,0]=3 1972 B8R0.6 CC[C@@H](C)NCCCF 5505371a202bfecabfd929226673cd4e [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,2,0,0,0,0|1,0,0]=3 1974 B8R0.6 CC[C@@H](C)NCCCS d018b350a4f6c69980561293a6f52a5a [0,2,0,0,0,0|1,1,0]=4 1975 B8R0.6 CC[C@@H](C)NCCOC 9bc6267f1aec0efa010d02896e34635b [0,2,0,0,0,0|1,1,0]=4 1976 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,2,0,0,0,0|1,0,0]=3 1977 B8R0.6 CC[C@@H](C)OCCCF 7b91ef4d02ffce6366f05b07d4bc01d9 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.6 CC[C@@H](C)OCCCS 6c6c2f22fccb8037a5b6c2c37163f959 [0,2,0,0,0,0|1,1,0]=4 1979 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,2,0,0,0,0|1,1,0]=4 1980 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,2,0,0,0,0|1,0,0]=3 1981 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,2,0,0,0,0|1,0,0]=3 1983 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,2,0,0,0,0|1,1,0]=4 1984 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,2,0,0,0,0|1,1,0]=4 1985 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,2,0,0,0,0|1,0,0]=3 1986 B8R0.6 CC[C@H](C)CCOCF 4b30d5d94bbbb4fdbcf22cabd2f557ea [0,2,0,0,0,0|1,1,0]=4 1987 B8R0.6 CC[C@H](C)CNCCBr 2e85ca9af829ee3543f995580cf76d82 [0,2,0,0,0,0|2,0,0]=4 1988 B8R0.6 CC[C@H](C)CNCCF fd752c7a6560f165a21d0e39ed53ebde [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.6 CC[C@H](C)CNCCI 26f262acafd0f04ce8a19af0b38e24de [0,2,0,0,0,0|2,0,0]=4 1990 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,2,0,0,0,0|1,0,0]=3 1991 B8R0.6 CC[C@H](C)CNCCS 8becd07c6bd7a230f4fc120a932c3696 [0,2,0,0,0,0|1,1,0]=4 1992 B8R0.6 CC[C@H](C)CNCOC 8d958d2c5c153e54d7b348639f09f01f [0,2,0,0,0,0|1,1,0]=4 1993 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,2,0,0,0,0|1,0,0]=3 1994 B8R0.6 CC[C@H](C)COCCF a3b7b17681d654662c51b9200aeead3e [0,2,0,0,0,0|2,0,0]=4 1995 B8R0.6 CC[C@H](C)COCCS 6e8b2990a3d1b06c800b4386782cc666 [0,2,0,0,0,0|1,1,0]=4 1996 B8R0.6 CC[C@H](C)COCOC c9deb84f6c5c3c42953d4555c52f366b [0,2,0,0,0,0|1,1,0]=4 1997 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,2,0,0,0,0|1,0,0]=3 1998 B8R0.6 CC[C@H](C)NCCCF d08d092d569ce6563951c753af4fb97c [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,2,0,0,0,0|1,0,0]=3 2000 B8R0.6 CC[C@H](C)NCCCS cdf23c371c67ce79e2901b4af058d9c9 [0,2,0,0,0,0|1,1,0]=4 2001 B8R0.6 CC[C@H](C)NCCOC 38a5269e53cebe3176cb690b2be4e7fa [0,2,0,0,0,0|1,1,0]=4 2002 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,2,0,0,0,0|1,0,0]=3 2003 B8R0.6 CC[C@H](C)OCCCF b238d2d8b5858677f211108a6f007a3e [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.6 CC[C@H](C)OCCCS a5391396126af079b7e941809a4b6adf [0,2,0,0,0,0|1,1,0]=4 2005 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,2,0,0,0,0|1,1,0]=4 2006 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,2,0,0,0,0|1,0,0]=3 2007 B8R0.6 CN(C=O)CCCCO 7f619f7f07602d0a1e936e8e17f35450 [0,2,0,0,0,0|1,0,0]=3 2008 B8R0.6 CN(CF)CCCCO 9cdee7e6fc3462a89ee4c09b4bdf06be [0,2,0,0,0,0|1,0,0]=3 2009 B8R0.6 CN(CO)CCCCO 95b34bd6810255fa2c6a80302969d8a4 [0,2,0,0,0,0|1,0,0]=3 2010 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,2,0,0,0,0|1,0,1]=4 2011 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|1,0,1]=4 2012 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,2,0,0,0,0|0,1,1]=4 2013 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|0,1,1]=4 2014 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|1,0,1]=4 2015 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|1,0,1]=4 2016 B8R0.6 COC(C)CCOCF beae3c76f3600c0e0ecf07e49acce172 [0,2,0,0,0,0|1,1,0]=4 2017 B8R0.6 COC(C)CNCCBr 343df0611702d315f20ba2f6e4b5d89e [0,2,0,0,0,0|1,1,0]=4 2018 B8R0.6 COC(C)CNCCF 10866d4849ed6a7df5091f46a6ea088f [0,2,0,0,0,0|1,1,0]=4 2019 B8R0.6 COC(C)CNCCI 8fad70571733b4fba11deb0bfcd773f8 [0,2,0,0,0,0|1,1,0]=4 2020 B8R0.6 COC(C)CNCCO 0f8da2fe020173b495a919bb7366dd98 [0,2,0,0,0,0|0,1,0]=3 2021 B8R0.6 COC(C)CNCCS f3b08876a57f08b549aea7a7a64ef627 [0,2,0,0,0,0|0,2,0]=4 2022 B8R0.6 COC(C)COCCF 5159862ff77079abf873c153601e6960 [0,2,0,0,0,0|1,1,0]=4 2023 B8R0.6 COC(C)COCCS 01eabf4ff56744b1f00192cd8f7d9372 [0,2,0,0,0,0|0,2,0]=4 2024 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,2,0,0,0,0|1,0,0]=3 2025 B8R0.6 COCCCN(C)CF 809b4fbf380227623615d7b59369fa34 [0,2,0,0,0,0|1,1,0]=4 2026 B8R0.6 COCCCN(C)CO a3856969af6f9c73d1fa163ffb103625 [0,2,0,0,0,0|0,1,0]=3 2027 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|0,1,1]=4 2028 B8R0.6 COCCNC(C)CO c390190648710b9656729f61660a1ea2 [0,2,0,0,0,0|0,1,0]=3 2029 B8R0.6 COCCN[C@@H](C)CO 31e33a95d7a54296089a78a2eec17cfa [0,2,0,0,0,0|0,1,0]=3 2030 B8R0.6 COCCN[C@H](C)CO 4149e644494b54610597168cd93a21bb [0,2,0,0,0,0|0,1,0]=3 2031 B8R0.6 COCCOC(C)CF a2156770e90e7393f057d64d5cc2608d [0,2,0,0,0,0|1,1,0]=4 2032 B8R0.6 COCCOC(C)CS ea4c32bfc0f4d77a145474fd16da19d5 [0,2,0,0,0,0|0,2,0]=4 2033 B8R0.6 COCCO[C@H](C)CS df8f906fe7e4e6345d305aaf2f4edd82 [0,2,0,0,0,0|0,2,0]=4 2034 B8R0.6 COCNCC(Br)CBr bb07cbacf8f1923dcc501507157248d9 [0,2,0,0,0,0|1,1,0]=4 2035 B8R0.6 COCNCC(C)CO 7a2e0eee430810ea3ea4debc59a5516e [0,2,0,0,0,0|0,1,0]=3 2036 B8R0.6 COCNCC(F)CO 3b1571ec76f3509c5f9d5c0eabd29d20 [0,2,0,0,0,0|0,1,0]=3 2037 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,2,0,0,0,0|0,1,0]=3 2038 B8R0.6 COCNC[C@@H](C)OC 8719badde24da218495728acf9da382d [0,2,0,0,0,0|1,1,0]=4 2039 B8R0.6 COCNC[C@@H](F)CO 24a7cd7c4d9540dc5eb1cd6d821cecec [0,2,0,0,0,0|0,1,0]=3 2040 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,2,0,0,0,0|0,1,0]=3 2041 B8R0.6 COCNC[C@H](C)CO 231f84dac728a289d40b3e3a902f7d0a [0,2,0,0,0,0|0,1,0]=3 2042 B8R0.6 COCNC[C@H](C)OC 0a6541aa22390aaad41f3e5d8953386c [0,2,0,0,0,0|1,1,0]=4 2043 B8R0.6 COCNC[C@H](F)CO cc52652202198b860d51d84128ce61f2 [0,2,0,0,0,0|0,1,0]=3 2044 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,2,0,0,0,0|0,1,0]=3 2045 B8R0.6 COCOCC(Br)CBr 87c9b631d9527a8c8bd637dd60d6b5f9 [0,2,0,0,0,0|1,1,0]=4 2046 B8R0.6 COCOCC(C)OC c05c58edc019f9219269006f32e8e653 [0,2,0,0,0,0|1,1,0]=4 2047 B8R0.6 COCOCC(Cl)CCl 35f58c0bec46ec0e2422d96a75526980 [0,2,0,0,0,0|1,1,0]=4 2048 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,2,0,0,0,0|0,1,0]=3 2049 B8R0.6 COCOCC(S)CS f17f16d80987cd04bdc68a88a7723551 [0,2,0,0,0,0|0,2,0]=4 2050 B8R0.6 COCOC[C@@H](C)OC de9e91a19b19de64061abe48af26aa5f [0,2,0,0,0,0|1,1,0]=4 2051 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,2,0,0,0,0|0,1,0]=3 2052 B8R0.6 COCOC[C@H](C)OC ad233134d7aadab353a6532bf99fe148 [0,2,0,0,0,0|1,1,0]=4 2053 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,2,0,0,0,0|0,1,0]=3 2054 B8R0.6 CO[C@@H](C)CNCCBr 575520c7f8c5474ebd1a904f097eda0b [0,2,0,0,0,0|1,1,0]=4 2055 B8R0.6 CO[C@@H](C)CNCCF aee6edb2eb80cfeeadac0acf7e33fac1 [0,2,0,0,0,0|1,1,0]=4 2056 B8R0.6 CO[C@@H](C)CNCCI b65ec83d63f1e1893ea7f614e7bae64a [0,2,0,0,0,0|1,1,0]=4 2057 B8R0.6 CO[C@@H](C)CNCCO bdc5af120e21fed0e9f5ff90640d6138 [0,2,0,0,0,0|0,1,0]=3 2058 B8R0.6 CO[C@@H](C)CNCCS a5e9464e04656120c787441fd79c0eab [0,2,0,0,0,0|0,2,0]=4 2059 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,2,0,0,0,0|1,0,0]=3 2060 B8R0.6 CO[C@@H](C)COCCF 9de32b5c20f229d509647aa46de5af21 [0,2,0,0,0,0|1,1,0]=4 2061 B8R0.6 CO[C@@H](C)COCCS ba23216a89cb693c1a306650cc6ad1f9 [0,2,0,0,0,0|0,2,0]=4 2062 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,2,0,0,0,0|1,0,0]=3 2063 B8R0.6 CO[C@H](C)CNCCBr 569141d3b7c9c39130902631da0de609 [0,2,0,0,0,0|1,1,0]=4 2064 B8R0.6 CO[C@H](C)CNCCF 1d79eaee53d341a8b7c0bca1964a4b8b [0,2,0,0,0,0|1,1,0]=4 2065 B8R0.6 CO[C@H](C)CNCCI ef50295858d4acfee43909b511e6075c [0,2,0,0,0,0|1,1,0]=4 2066 B8R0.6 CO[C@H](C)CNCCO eb0d14126ad888b1d3378c286328a08a [0,2,0,0,0,0|0,1,0]=3 2067 B8R0.6 CO[C@H](C)CNCCS aba97d35ef4ac3709331e9b6c733191d [0,2,0,0,0,0|0,2,0]=4 2068 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,2,0,0,0,0|1,0,0]=3 2069 B8R0.6 CO[C@H](C)COCCF 331b775553b628c61f60475d9f4716e1 [0,2,0,0,0,0|1,1,0]=4 2070 B8R0.6 CO[C@H](C)COCCS a0b19a1c6390e25349d6d4b4dc06403c [0,2,0,0,0,0|0,2,0]=4 2071 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,2,0,0,0,0|1,0,0]=3 2072 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,2,0,0,0,0|1,0,1]=4 2073 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|0,0,1]=3 2074 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,2,0,0,0,0|0,1,1]=4 2075 B8R0.6 CSCCNC(C)C#N 2ed55382ecc3c3447e2d791df391239f [0,2,0,0,0,0|1,0,1]=4 2076 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,2,0,0,0,0|0,0,2]=4 2077 B8R0.6 CSCCNC(C)CO eb710b0198f2b39e52336e903ad250ef [0,2,0,0,0,0|0,0,0]=2 2078 B8R0.6 CSCCN[C@@H](C)CO cfc28bd1fda6abe13c274ff1bd20f592 [0,2,0,0,0,0|0,0,0]=2 2079 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,2,0,0,0,0|0,0,2]=4 2080 B8R0.6 CSCCN[C@H](C)CO c317f5fd9170c648d9158d4d47f133a4 [0,2,0,0,0,0|0,0,0]=2 2081 B8R0.6 CSCCOC(C)C#N c5ba914c2c140691a18365318003996d [0,2,0,0,0,0|1,0,1]=4 2082 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,2,0,0,0,0|0,0,2]=4 2083 B8R0.6 CSCCOC(C)CF cfea21c2c3a8ac30e164d25c20f02c33 [0,2,0,0,0,0|1,0,0]=3 2084 B8R0.6 CSCCOC(C)CS 8386082942f103927006a77e294cb463 [0,2,0,0,0,0|0,1,0]=3 2085 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,2,0,0,0,0|0,0,2]=4 2086 B8R0.6 CSCCO[C@H](C)CS c98ed2c9a664a9fb40a680980ae3c969 [0,2,0,0,0,0|0,1,0]=3 2087 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,2,0,0,0,0|1,0,1]=4 2088 B8R0.6 CSCNCC(Br)CBr 1439490bfbdc41c573128d2904ce5399 [0,2,0,0,0,0|1,0,0]=3 2089 B8R0.6 CSCNCC(C)C#N 52622470c3be95a128136a3b7ffd45bd [0,2,0,0,0,0|1,0,1]=4 2090 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,2,0,0,0,0|0,0,0]=2 2091 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,2,0,0,0,0|0,0,0]=2 2092 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|0,0,0]=2 2093 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,2,0,0,0,0|0,0,0]=2 2094 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|0,0,0]=2 2095 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,2,0,0,0,0|0,0,0]=2 2096 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,2,0,0,0,0|0,0,0]=2 2097 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|0,0,0]=2 2098 B8R0.6 CSCOCC(Br)CBr a2fab75acbb791d2a16fcbb635320e10 [0,2,0,0,0,0|1,0,0]=3 2099 B8R0.6 CSCOCC(C)C#N 67eeea3ed659de1ff5a3a35cc23d3f02 [0,2,0,0,0,0|1,0,1]=4 2100 B8R0.6 CSCOCC(Cl)CCl 675e921c03947d0d7d6759cc9d92c669 [0,2,0,0,0,0|1,0,0]=3 2101 B8R0.6 CSCOCC(S)CS 274fc9d3a3e01ec8bbe80140e4745922 [0,2,0,0,0,0|0,1,0]=3 2102 B8R0.6 C[C@@H](CO)CCNC=O 3feffe28caaaf0dbda7fb0990299be3b [0,2,0,0,0,0|1,0,1]=4 2103 B8R0.6 C[C@@H](CO)CCNCF 3210926d329af58818ccb69287cbc51b [0,2,0,0,0,0|1,0,0]=3 2104 B8R0.6 C[C@@H](CO)CCNCO ff87c146d1d5bb26efd73e902a99fe58 [0,2,0,0,0,0|1,0,0]=3 2105 B8R0.6 C[C@@H](CO)CNCC#N cbecb262eff2984e76112ee332cdac03 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.6 C[C@@H](CO)CNCCBr d50c5d51afa5943537be1cc5a65b13a8 [0,2,0,0,0,0|2,0,0]=4 2107 B8R0.6 C[C@@H](CO)CNCCF 3c604134a748abd2f2f86e254315e04a [0,2,0,0,0,0|2,0,0]=4 2108 B8R0.6 C[C@@H](CO)CNCCI dede1b94588103839adb40049889bb5d [0,2,0,0,0,0|2,0,0]=4 2109 B8R0.6 C[C@@H](CO)CNCCO 9af5b268cdbbb48fe80cc31700cfc4a2 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.6 C[C@@H](CO)CNCCS 83b8105b81b35043285dd51f7cdbc743 [0,2,0,0,0,0|2,0,0]=4 2111 B8R0.6 C[C@@H](CO)NCCC#N 9b47ca7037a39fa2cb70b95347a732ad [0,2,0,0,0,0|2,0,0]=4 2112 B8R0.6 C[C@@H](CO)NCCC=O 608fd81196e1155374938b5ce9be9d11 [0,2,0,0,0,0|2,0,0]=4 2113 B8R0.6 C[C@@H](CO)NCCCCl a6ec4ecbbee7732eecc2142389b09ab9 [0,2,0,0,0,0|2,0,0]=4 2114 B8R0.6 C[C@@H](CO)NCCCF 31cf9f118cf1a14935561884c7390a5c [0,2,0,0,0,0|2,0,0]=4 2115 B8R0.6 C[C@@H](CO)NCCCO 6461b70f844a39969873e06a3571a000 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.6 C[C@@H](CO)NCCCS 1a9d4e91723411ccd622ff9972062908 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.6 C[C@@H](CO)NCCON b86e4490bea9c251fcfbdabf7ccd65e7 [0,2,0,0,0,0|1,1,0]=4 2118 B8R0.6 C[C@@H](CO)NCSC#N 83544a3505f0b8b564ee52f1e18893ea [0,2,0,0,0,0|1,0,1]=4 2119 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|2,0,0]=4 2120 B8R0.6 C[C@H](CO)CNCC#N 8b1b453678b0d39e0d5732bd3afd782e [0,2,0,0,0,0|2,0,0]=4 2121 B8R0.6 C[C@H](CO)CNCC=O ce3576180443b7d133df7f39370d8756 [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.6 C[C@H](CO)CNCCBr 4b0b7fe680b6c331915fa2277d8376d4 [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.6 C[C@H](CO)CNCCF e9a6aeb3654dc0602a6d1f17983b36d4 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.6 C[C@H](CO)CNCCI b4abad2c74077a8495cda50f2e51cd04 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.6 C[C@H](CO)CNCCO b2b4657fd14e0249f6aeb2840e730b6b [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.6 C[C@H](CO)CNCCS be5c40b1ea1bff877fe6e3aade52274e [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.6 C[C@H](CO)NCCC#N c416f9db40fb35291b905d89100c1a10 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.6 C[C@H](CO)NCCC=O c6b2b9a5a05147f280b25371b2bca5f0 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.6 C[C@H](CO)NCCCCl 0659f39184bb25db88c7e15cb4100ad3 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.6 C[C@H](CO)NCCCF 4d6f15b96ddc97660fdd9cec9ddf4d83 [0,2,0,0,0,0|2,0,0]=4 2131 B8R0.6 C[C@H](CO)NCCCO 0891af69e95a2685b6435db9477f8286 [0,2,0,0,0,0|2,0,0]=4 2132 B8R0.6 C[C@H](CO)NCCCS 37fda87e44e17ab9f7aa84f9ecc716ff [0,2,0,0,0,0|2,0,0]=4 2133 B8R0.6 C[C@H](CO)NCCON 9e9795d5252b395a47b49b9a4ae93e12 [0,2,0,0,0,0|1,1,0]=4 2134 B8R0.6 C[C@H](CO)NCSC#N c9bf05db51553f8dfdc814c923e3093e [0,2,0,0,0,0|1,0,1]=4 2135 B8R0.6 N#CCNCC(F)CO c88ae4556e88c02100c375527445d808 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.6 N#CCNCC(O)CO ad46fc0dfc8ef316defba249dd5fb686 [0,2,0,0,0,0|2,0,0]=4 2137 B8R0.6 N#CCNC[C@@H](F)CO b9cb9e33454c3f06bdf4da7e455b694d [0,2,0,0,0,0|2,0,0]=4 2138 B8R0.6 N#CCNC[C@@H](O)CO 6fd8f4a4e8ea3814d3d07aaec448a5b7 [0,2,0,0,0,0|2,0,0]=4 2139 B8R0.6 N#CCNC[C@H](F)CO c8c57e08777c9e0b49918254eaee878c [0,2,0,0,0,0|2,0,0]=4 2140 B8R0.6 N#CCNC[C@H](O)CO c22ed8f83fb0bc964fcedfeb01c49381 [0,2,0,0,0,0|2,0,0]=4 2141 B8R0.6 N#CCOCC(O)CO b3b22fcca695269b0db2a330b9c3babe [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.6 N#CCOC[C@@H](O)CO 11730865a433a6601519569a795a8da1 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.6 N#CCOC[C@H](O)CO 95f0b5edb14795dd9007d43e3cea65d0 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|2,0,0]=4 2147 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|2,0,0]=4 2148 B8R0.6 O=CCNCC(F)CO 46d395441643b8391343b1608d225a77 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.6 O=CCNCC(O)CO fda7899aa326db8479a7cf6ed9ff5496 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.6 O=CCNC[C@@H](F)CO 5e18cd98a50b003516d72cc51ca3a1a4 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.6 O=CCNC[C@@H](O)CO cfa882ca9454e8329a6128be9a5cb6e1 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.6 O=CCNC[C@H](F)CO daaf806b3ec268a7d82f89fcafa4ccb5 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.6 O=CCNC[C@H](O)CO 7ac55096fec47b7cc6006cf27ed82417 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.6 O=CNCCC(O)CO e7dc97883d31a0c7dd013812e3944a74 [0,2,0,0,0,0|1,0,1]=4 2155 B8R0.6 OCC(F)CNCCF 47b25da389d463b01b79a9fdcc81a66d [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.6 OCC(F)CNCCS 08d2169dfc97c42d68c7254ebcc0d01e [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.6 OCC(O)CCNCF 6ae225196f47d62edfde75946a275dce [0,2,0,0,0,0|1,0,0]=3 2158 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,2,0,0,0,0|2,0,0]=4 2162 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,2,0,0,0,0|2,0,0]=4 2164 B8R0.6 OCCNCC(Br)CBr b5ebf233541fc75829e07f045114bc88 [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.6 OCCNCC(F)CO c49eba70ba235443a64b3fdb137219cd [0,2,0,0,0,0|2,0,0]=4 2166 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,2,0,0,0,0|2,0,0]=4 2167 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.6 OCCNC[C@@H](F)CO f0a8569733061565e77df74ca5d97b0a [0,2,0,0,0,0|2,0,0]=4 2169 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,2,0,0,0,0|2,0,0]=4 2170 B8R0.6 OCCNC[C@H](F)CO 97f3758f135f3ad80a6e4096fcc72261 [0,2,0,0,0,0|2,0,0]=4 2171 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,2,0,0,0,0|2,0,0]=4 2172 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,2,0,0,0,0|1,0,0]=3 2173 B8R0.6 OC[C@@H](F)CNCCF 71fdee11ded3c4308f379d61e33e03eb [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.6 OC[C@@H](F)CNCCS 05424800e1306ed275f6467a9d4080a1 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,2,0,0,0,0|2,0,0]=4 2177 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,2,0,0,0,0|2,0,0]=4 2180 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,2,0,0,0,0|2,0,0]=4 2181 B8R0.6 OC[C@H](F)CNCCF bbf8bd99395ca1e217b9e444b50f1808 [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.6 OC[C@H](F)CNCCS 034ceb360b46caf7d721809f49ad431a [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,2,0,0,0,0|2,0,0]=4 2187 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,2,0,0,0,0|2,0,0]=4 2188 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.7 C#CCCNCC(C)O 450df4b466845ab16a8023c6c8a1abb8 [0,2,0,0,0,0|1,0,1]=4 2190 B8R0.7 C#CCCNC[C@@H](C)O 6a7d217dec6552161d289050b209ddaa [0,2,0,0,0,0|1,0,1]=4 2191 B8R0.7 C#CCCNC[C@H](C)O 062bcd7e93df504ee56c8e19e7153d09 [0,2,0,0,0,0|1,0,1]=4 2192 B8R0.7 C#CCNCCC(C)O 82c98b254385bb322da160907d65ecd9 [0,2,0,0,0,0|1,0,1]=4 2193 B8R0.7 C#CCNCC[C@@H](C)O 0fa02f77629f17beb07e4bd6eb60821d [0,2,0,0,0,0|1,0,1]=4 2194 B8R0.7 C#CCNCC[C@H](C)O a3b8ab56f85174b419bff3ab36fb6802 [0,2,0,0,0,0|1,0,1]=4 2195 B8R0.7 C/C(=C/CNCCO)/I e7788fa36159fd206e0a3b27854cfd27 [0,2,0,0,0,0|1,0,1]=4 2196 B8R0.7 C/C(=C\CNCCO)/Cl 49bb7565d9837c47c95956eb00cdffbb [0,2,0,0,0,0|1,0,1]=4 2197 B8R0.7 C/C=C/CNCC(C)O 706b7ee4e3f651c4ef21af8a02fff587 [0,2,0,0,0,0|1,0,1]=4 2198 B8R0.7 C/C=C/CNC[C@@H](C)O 9cc88730a7b6c5f02a9d2f5e6f67c4e4 [0,2,0,0,0,0|1,0,1]=4 2199 B8R0.7 C/C=C/CNC[C@H](C)O 1acf4707ce0333163ff659136cf2b6da [0,2,0,0,0,0|1,0,1]=4 2200 B8R0.7 C/C=C\CNCC(C)O 4872f4c901dc8cc56679a0801ea5fa82 [0,2,0,0,0,0|1,0,1]=4 2201 B8R0.7 C/C=C\CNC[C@@H](C)O 8a926f9e7738c9540aa2a6d2f41bc645 [0,2,0,0,0,0|1,0,1]=4 2202 B8R0.7 C/C=C\CNC[C@H](C)O adad592ebec3ffb5ca56dd53da3fb565 [0,2,0,0,0,0|1,0,1]=4 2203 B8R0.7 C=C(Br)CCOCSC dc07dbda02c200711970a954014d26e1 [0,2,0,0,0,0|1,0,1]=4 2204 B8R0.7 C=C(Br)CNCCCO 9593077d2863d607f3d2693354ee7a70 [0,2,0,0,0,0|1,0,1]=4 2205 B8R0.7 C=C(Br)CNCCSC 5b1a1ae0f5347cb228c1a769729a44d5 [0,2,0,0,0,0|1,0,1]=4 2206 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,2,0,0,0,0|1,0,1]=4 2207 B8R0.7 C=C(C)CCCOCC 36ef5adff872f4dda81f11eae3241c37 [0,2,0,0,0,0|2,0,0]=4 2208 B8R0.7 C=C(C)CCCOCF 76264cef51d14a00e40692a03297067c [0,2,0,0,0,0|2,0,0]=4 2209 B8R0.7 C=C(C)CCNCCBr 7ced6d8c6e32bc1f876500890047cded [0,2,0,0,0,0|2,0,0]=4 2210 B8R0.7 C=C(C)CCNCCC 4d1900f680cbfef6ffe5a77e2294dd65 [0,2,0,0,0,0|2,0,0]=4 2211 B8R0.7 C=C(C)CCNCCF 8569016bcb7348aaa45008d66f5f6a2c [0,2,0,0,0,0|2,0,0]=4 2212 B8R0.7 C=C(C)CCNCCI d20ef749df3249ef9aaad80f778516f3 [0,2,0,0,0,0|2,0,0]=4 2213 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,2,0,0,0,0|1,0,0]=3 2214 B8R0.7 C=C(C)CCNCCS 2f2e2170dcd696655a54f1153dbc50c6 [0,2,0,0,0,0|1,1,0]=4 2215 B8R0.7 C=C(C)CCNCOC 7be90491ee700292d0e2b62ea3c5d946 [0,2,0,0,0,0|2,0,0]=4 2216 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,2,0,0,0,0|1,0,1]=4 2217 B8R0.7 C=C(C)CCOCCC 845281f0f16ba18f3aad20093af18d36 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.7 C=C(C)CCOCCF cad086a36984e044fb55164106973801 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.7 C=C(C)CCOCCS c14b0067a06142591fd279d6fe25eb06 [0,2,0,0,0,0|1,1,0]=4 2220 B8R0.7 C=C(C)CCOCOC 2d580783ee3d7b7a5ba6e90b0c9cd47a [0,2,0,0,0,0|2,0,0]=4 2221 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,2,0,0,0,0|1,0,1]=4 2222 B8R0.7 C=C(C)CNCCCC 47f5fb139675fc765be0663116650609 [0,2,0,0,0,0|2,0,0]=4 2223 B8R0.7 C=C(C)CNCCCCl 846c99a3b9539c7d1bf408b5c7720df3 [0,2,0,0,0,0|2,0,0]=4 2224 B8R0.7 C=C(C)CNCCCF beb220b1f62c61215fe4088c375ae748 [0,2,0,0,0,0|2,0,0]=4 2225 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,2,0,0,0,0|1,0,0]=3 2226 B8R0.7 C=C(C)CNCCCS 0a6e65af8417b99414a8ba398cfdd355 [0,2,0,0,0,0|1,1,0]=4 2227 B8R0.7 C=C(C)CNCCOC 9d11af89280f819077ad9c1b1c3e595f [0,2,0,0,0,0|2,0,0]=4 2228 B8R0.7 C=C(C)CNCCON 9c6b8a562452fc0bf302ecc1ca1cf54d [0,2,0,0,0,0|2,0,0]=4 2229 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,2,0,0,0,0|1,0,1]=4 2230 B8R0.7 C=C(C)COCCCC 260d3670dc084e87502d9a9ffe570e3c [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.7 C=C(C)COCCCF d7bfb5949c51972c3e54f6e8bca91cae [0,2,0,0,0,0|2,0,0]=4 2232 B8R0.7 C=C(C)COCCCS ce1f8ade88868e163cf874f2fb32694a [0,2,0,0,0,0|1,1,0]=4 2233 B8R0.7 C=C(C)COCCOC 4c97b3aa85916d5020a98673772e2c8a [0,2,0,0,0,0|2,0,0]=4 2234 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,2,0,0,0,0|1,0,1]=4 2235 B8R0.7 C=C(Cl)CNCCCO 3beb85068c88a196e26a5ca82d7fe904 [0,2,0,0,0,0|1,0,1]=4 2236 B8R0.7 C=C(Cl)CNCCSC 510ed02e52d250f4e3877597d05cc565 [0,2,0,0,0,0|1,0,1]=4 2237 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,2,0,0,0,0|1,0,1]=4 2238 B8R0.7 C=C(F)CNCCCO 72f99c7c070c8ad65be7786b4c8e1816 [0,2,0,0,0,0|1,0,1]=4 2239 B8R0.7 C=C(F)CNCCSC d0c31b69c02ec918e82a738748803c26 [0,2,0,0,0,0|1,0,1]=4 2240 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,2,0,0,0,0|1,0,1]=4 2241 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,2,0,0,0,0|1,0,1]=4 2242 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [0,2,0,0,0,0|1,0,1]=4 2243 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [0,2,0,0,0,0|1,0,1]=4 2244 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [0,2,0,0,0,0|1,0,1]=4 2245 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [0,2,0,0,0,0|1,0,1]=4 2246 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [0,2,0,0,0,0|1,0,1]=4 2247 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [0,2,0,0,0,0|1,0,1]=4 2248 B8R0.7 CC#CCNCC(C)O c753d14cd59903900334c20a9cf477a8 [0,2,0,0,0,0|1,0,1]=4 2249 B8R0.7 CC#CCNC[C@@H](C)O a2c919e7a256e9def9f260c4bebc6ef1 [0,2,0,0,0,0|1,0,1]=4 2250 B8R0.7 CC#CCNC[C@H](C)O 7b3b674161b5e3b015d7d33194233d57 [0,2,0,0,0,0|1,0,1]=4 2251 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,2,0,0,0,0|1,0,1]=4 2252 B8R0.7 CC(=CCNCCO)Cl 2ee9ba9ff7c8b9d705daa10c68d79bd1 [0,2,0,0,0,0|1,0,1]=4 2253 B8R0.7 CC(=CCNCCO)I 9067fd97739f8e67fe2797cc7f12cf31 [0,2,0,0,0,0|1,0,1]=4 2254 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,2,0,0,0,0|2,0,0]=4 2255 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|2,0,0]=4 2256 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|2,0,0]=4 2258 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|1,0,0]=3 2259 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|1,1,0]=4 2260 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,2,0,0,0,0|2,0,0]=4 2261 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,2,0,0,0,0|1,1,0]=4 2262 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,2,0,0,0,0|2,0,0]=4 2263 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|1,0,0]=3 2264 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,2,0,0,0,0|1,1,0]=4 2265 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,2,0,0,0,0|2,0,0]=4 2266 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,2,0,0,0,0|1,1,0]=4 2267 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,2,0,0,0,0|1,0,0]=3 2269 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,2,0,0,0,0|1,1,0]=4 2270 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,2,0,0,0,0|2,0,0]=4 2271 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,2,0,0,0,0|1,1,0]=4 2272 B8R0.7 CC(C)CCCNCF db99dd2fc56150b995ab6795ced65117 [0,2,0,0,0,0|2,0,0]=4 2273 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,2,0,0,0,0|1,0,0]=3 2274 B8R0.7 CC(C)CCCOCF 074ff3c76c900e9b0ff85e608ffe9d01 [0,2,0,0,0,0|1,1,0]=4 2275 B8R0.7 CC(C)CCNCCBr 63072d1bb0b37e13e4137a2658df5d3f [0,2,0,0,0,0|2,0,0]=4 2276 B8R0.7 CC(C)CCNCCF fa88e798a35cb724c574c6d9beb4e026 [0,2,0,0,0,0|2,0,0]=4 2277 B8R0.7 CC(C)CCNCCI 23da00c7d0e9607a32f436f0aa75fc42 [0,2,0,0,0,0|2,0,0]=4 2278 B8R0.7 CC(C)CCNCCO 8808dbc8c43d3215658a37aae8c42922 [0,2,0,0,0,0|1,0,0]=3 2279 B8R0.7 CC(C)CCNCCS f6fd9c0c9c1c8fd19eba108b534a9da0 [0,2,0,0,0,0|1,1,0]=4 2280 B8R0.7 CC(C)CCOCCF 8c34c8e85518cf7592e3f685afefb143 [0,2,0,0,0,0|2,0,0]=4 2281 B8R0.7 CC(C)CCOCCS 32244445bbb2f48b4effe9772a2a7a0f [0,2,0,0,0,0|1,1,0]=4 2282 B8R0.7 CC(C)CNCCCCl 83551d904dbd627980ba793c1942d0e5 [0,2,0,0,0,0|2,0,0]=4 2283 B8R0.7 CC(C)CNCCCF e685da6699f44994d973febb9b810867 [0,2,0,0,0,0|2,0,0]=4 2284 B8R0.7 CC(C)CNCCCO 1cd6cdd205d9b8765f3eafc45298521d [0,2,0,0,0,0|1,0,0]=3 2285 B8R0.7 CC(C)CNCCCS 240b44f5bc44a9ca7d752febf9653f98 [0,2,0,0,0,0|1,1,0]=4 2286 B8R0.7 CC(C)CNCCON 8e91a62e1bb43e3a5c1b835333643145 [0,2,0,0,0,0|2,0,0]=4 2287 B8R0.7 CC(C)COCCCF 47b3e7003392b7e4d6af83ce49e8ae15 [0,2,0,0,0,0|2,0,0]=4 2288 B8R0.7 CC(C)COCCCS 4a6bc2e192e2a8c81d6a0173f59ed2af [0,2,0,0,0,0|1,1,0]=4 2289 B8R0.7 CC(C)NCCCCCl 760ce504f04b0a2c192a1d1765dbdc9f [0,2,0,0,0,0|2,0,0]=4 2290 B8R0.7 CC(C)NCCCCO cac322fa4c207db5bec318c0141a5615 [0,2,0,0,0,0|1,0,0]=3 2291 B8R0.7 CC(C)NCCCCS 974c6621180d0a894c4f21e582cd2063 [0,2,0,0,0,0|1,1,0]=4 2292 B8R0.7 CC(C)OCCCCF f9388f7924de81152ad266bc0e0fb91b [0,2,0,0,0,0|1,1,0]=4 2293 B8R0.7 CC(C)OCCCCS 7024b4637fc758d50ee27d269b165a7f [0,2,0,0,0,0|0,2,0]=4 2294 B8R0.7 CC(C)OCCNCO 0aee07ff538edc4e8f422683fa1e35c0 [0,2,0,0,0,0|1,1,0]=4 2295 B8R0.7 CC(C)OCNCCO 7914ffab43828f446a5354dacb24e6a5 [0,2,0,0,0,0|1,1,0]=4 2296 B8R0.7 CC(C)SCCOCF fe2b33f3d051c1c3a0d1ff442e87fd19 [0,2,0,0,0,0|2,0,0]=4 2297 B8R0.7 CC(F)COCCCF 38263380a67c44c16346ab110c4b14ed [0,2,0,0,0,0|2,0,0]=4 2298 B8R0.7 CC(F)COCCCS fe888356fa7666952d363a84eef052cb [0,2,0,0,0,0|1,1,0]=4 2299 B8R0.7 CC(O)CCCNC#N f5204db338ac95f905fdf8c02ea602e4 [0,2,0,0,0,0|1,0,1]=4 2300 B8R0.7 CC(O)CCNCC#N 8839b15c450319cdc3d23d65a5edf4ef [0,2,0,0,0,0|2,0,0]=4 2301 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [0,2,0,0,0,0|2,0,0]=4 2302 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,2,0,0,0,0|2,0,0]=4 2303 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,2,0,0,0,0|2,0,0]=4 2304 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,2,0,0,0,0|2,0,0]=4 2305 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,2,0,0,0,0|1,0,0]=3 2306 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,2,0,0,0,0|1,1,0]=4 2307 B8R0.7 CC(O)CNCCC#N 10f7926ab58dfa7eba7767fe01cc5073 [0,2,0,0,0,0|2,0,0]=4 2308 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [0,2,0,0,0,0|2,0,0]=4 2309 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,2,0,0,0,0|1,0,0]=3 2312 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,2,0,0,0,0|1,1,0]=4 2313 B8R0.7 CC(O)CNCCON b1f97ecb062790a9ea413ad85e71fa34 [0,2,0,0,0,0|1,1,0]=4 2314 B8R0.7 CC(O)CNCSC#N f6252be2264e0465a66168012c94236a [0,2,0,0,0,0|1,0,1]=4 2315 B8R0.7 CC(S)COCCCF 1229d17f0ba7624aa77ee6d4b579a426 [0,2,0,0,0,0|2,0,0]=4 2316 B8R0.7 CC(S)COCCCS 94410c03f092028f1e752124b10b39f6 [0,2,0,0,0,0|1,1,0]=4 2317 B8R0.7 CC=CCNCC(C)O 3355a6f27ac95da3103ef606509bbc54 [0,2,0,0,0,0|1,0,1]=4 2318 B8R0.7 CC=CCNC[C@@H](C)O bb14a2a5b0f2f934973f50d6088143bf [0,2,0,0,0,0|1,0,1]=4 2319 B8R0.7 CC=CCNC[C@H](C)O a80e401a4fa769c8d578a7424ece8141 [0,2,0,0,0,0|1,0,1]=4 2320 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,2,0,0,0,0|2,0,0]=4 2321 B8R0.7 CCCCCNC(C)C fecd5fbc16956a143ac8609a2bd9e0c3 [0,2,0,0,0,0|2,0,0]=4 2322 B8R0.7 CCCCCOC(C)C d4e915467a92d9554e0d3ccd108d1b4d [0,2,0,0,0,0|1,1,0]=4 2323 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,2,0,0,0,0|2,0,0]=4 2324 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|1,0,1]=4 2325 B8R0.7 CCCCNCC(C)C 14e08612915cf77b2fa2c2f94f61132b [0,2,0,0,0,0|2,0,0]=4 2326 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,2,0,0,0,0|1,0,0]=3 2327 B8R0.7 CCCCNCC(F)F 59c1dd31b1633b5881723b5df4d70221 [0,2,0,0,0,0|2,0,0]=4 2328 B8R0.7 CCCCNCN(C)C e1ce7e7ec8d6dee5ae81d311d66afe96 [0,2,0,0,0,0|2,0,0]=4 2329 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,2,0,0,0,0|1,0,0]=3 2330 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,2,0,0,0,0|1,0,0]=3 2331 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,2,0,0,0,0|1,0,1]=4 2333 B8R0.7 CCCCOCC(C)C 68b7612d0f936ebbf9a831b7d6c778be [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.7 CCCCOCC(C)F b61cc2ea745ef93460e21e251f057d4d [0,2,0,0,0,0|2,0,0]=4 2335 B8R0.7 CCCCOCC(C)S 0d43463b5fb693fda0dbccdcbbdd2ce0 [0,2,0,0,0,0|1,1,0]=4 2336 B8R0.7 CCCCOCC(F)F aaeb3cfc8ecfd31ba743b6647a74b0e1 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.7 CCCCOCN(C)C 3598f39145ccde2eee87aa91337fcbb4 [0,2,0,0,0,0|2,0,0]=4 2338 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,2,0,0,0,0|2,0,0]=4 2339 B8R0.7 CCCCOC[C@@H](C)F 395daf95e36b203ab6e7a7c03c8e4490 [0,2,0,0,0,0|2,0,0]=4 2340 B8R0.7 CCCCOC[C@H](C)F 26014bea3230facd252589a2fc4ef47c [0,2,0,0,0,0|2,0,0]=4 2341 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|2,0,0]=4 2342 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|1,0,1]=4 2343 B8R0.7 CCCNCCC(C)C 76a9f83b0ca62c4bc3c8277b05f628fa [0,2,0,0,0,0|2,0,0]=4 2344 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,2,0,0,0,0|1,0,0]=3 2345 B8R0.7 CCCNCCC(F)F 06bc8dd7195781c8fa8e64160537904c [0,2,0,0,0,0|2,0,0]=4 2346 B8R0.7 CCCNCCN(C)C 1fd7d9835f7eceefef0e4025a05690fb [0,2,0,0,0,0|2,0,0]=4 2347 B8R0.7 CCCNCCS(=O)C 8907fe98197a1b6e79d094b2d7a6d4a5 [0,2,0,0,0,0|1,0,1]=4 2348 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,2,0,0,0,0|1,0,0]=3 2350 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,2,0,0,0,0|1,0,0]=3 2351 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,2,0,0,0,0|2,0,0]=4 2352 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|1,0,1]=4 2353 B8R0.7 CCCOCCC(C)C 2eab4c15e86c20ee350695e4727673e2 [0,2,0,0,0,0|2,0,0]=4 2354 B8R0.7 CCCOCCC(F)F c238cb362dacb265d2fe0fdc1ac7cda2 [0,2,0,0,0,0|2,0,0]=4 2355 B8R0.7 CCCOCCN(C)C 79c8f5d530bd776f1befe5ca1224c45c [0,2,0,0,0,0|2,0,0]=4 2356 B8R0.7 CCCOCCS(=O)C 2c35684313aa0effe020f10a0837e485 [0,2,0,0,0,0|1,0,1]=4 2357 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|1,0,1]=4 2358 B8R0.7 CCNCCCC(C)C 6e52cb7d352b50eb30e238c582f22475 [0,2,0,0,0,0|2,0,0]=4 2359 B8R0.7 CCNCCCN(C)C 90ee4ab5b9e6c4ea77050abf169d2a99 [0,2,0,0,0,0|2,0,0]=4 2360 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,2,0,0,0,0|1,0,1]=4 2361 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,2,0,0,0,0|2,0,0]=4 2362 B8R0.7 CCOCCCC(C)C e68811d021b73c585b1339be7097acd9 [0,2,0,0,0,0|1,1,0]=4 2363 B8R0.7 CCOCCCN(C)C aea7d760e9c8771a1ef45b93a8f9f7c3 [0,2,0,0,0,0|2,0,0]=4 2364 B8R0.7 CCOCCSC(C)C fc1d80ca91bdae801b2ab4f91b2f88f6 [0,2,0,0,0,0|2,0,0]=4 2365 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,2,0,0,0,0|1,1,0]=4 2366 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,2,0,0,0,0|1,1,0]=4 2367 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,2,0,0,0,0|1,1,0]=4 2368 B8R0.7 CCSCCNC(C)C e8c172a8efb77b85e768a4192a22b53f [0,2,0,0,0,0|2,0,0]=4 2369 B8R0.7 CCSCCOC(C)C d8b7a1fba7566c3744049605e758719d [0,2,0,0,0,0|2,0,0]=4 2370 B8R0.7 CN(C)CCCNCF 4af6e6f5991e9c2e29bf40d91ff5c783 [0,2,0,0,0,0|2,0,0]=4 2371 B8R0.7 CN(C)CCCNCO bba07796e33ce14f4f33585f8e1a5167 [0,2,0,0,0,0|1,0,0]=3 2372 B8R0.7 CN(C)CCCOCF e6c41a4c09447eb358c0df629d362620 [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.7 CN(C)CCNCCBr e1a9b9d2021e24944c250dcb33425c3d [0,2,0,0,0,0|2,0,0]=4 2374 B8R0.7 CN(C)CCNCCF 53d242c2c8c27a60d998a2e9442d9c16 [0,2,0,0,0,0|2,0,0]=4 2375 B8R0.7 CN(C)CCNCCI cd40e95d3d8878bc7b1fc404d53d668a [0,2,0,0,0,0|2,0,0]=4 2376 B8R0.7 CN(C)CCNCCO 623d782539049a31626f7dc9eeb58e94 [0,2,0,0,0,0|1,0,0]=3 2377 B8R0.7 CN(C)CCNCCS 0719f9e4969ae8c005c228aa7ae9d6e8 [0,2,0,0,0,0|1,1,0]=4 2378 B8R0.7 CN(C)CCOCCF 777752e6a0beb4735bc253c792967a5a [0,2,0,0,0,0|2,0,0]=4 2379 B8R0.7 CN(C)CCOCCS 7dd441118b9732033165bff75cec585b [0,2,0,0,0,0|1,1,0]=4 2380 B8R0.7 CN(C)CNCCCCl 64b8435a0bc0392e5a6b5d6854800afb [0,2,0,0,0,0|2,0,0]=4 2381 B8R0.7 CN(C)CNCCCO b9383588f6977f4de542d2f93d3da9b2 [0,2,0,0,0,0|1,0,0]=3 2382 B8R0.7 CN(C)CNCCON 579ab5550bbbadfab0382c3ba1366604 [0,2,0,0,0,0|2,0,0]=4 2383 B8R0.7 CN(C)COCCCF d066bb473d1bdee94a6093b8c856254c [0,2,0,0,0,0|2,0,0]=4 2384 B8R0.7 CN(C)COCCCS 72871a562f1c74c01219900a6237cd65 [0,2,0,0,0,0|1,1,0]=4 2385 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,2,0,0,0,0|2,0,0]=4 2386 B8R0.7 COCCCNC(C)C c96e3047c8ced8f316486e1c2cd3b324 [0,2,0,0,0,0|1,1,0]=4 2387 B8R0.7 COCCCOC(C)C 5684bb8a7ac01785c80283a1f20a9ef4 [0,2,0,0,0,0|1,1,0]=4 2388 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|2,0,0]=4 2389 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|0,1,1]=4 2390 B8R0.7 COCCNCC(C)C 0f93e00b6918ab89e337016dce5ddb5a [0,2,0,0,0,0|1,1,0]=4 2391 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,2,0,0,0,0|0,1,0]=3 2392 B8R0.7 COCCNCC(F)F 25469da334f8c271bf22d9774256f939 [0,2,0,0,0,0|1,1,0]=4 2393 B8R0.7 COCCNCN(C)C d22b8820b5c2650f403e7a2e25fc8aed [0,2,0,0,0,0|2,0,0]=4 2394 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,2,0,0,0,0|0,1,0]=3 2395 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,2,0,0,0,0|0,1,0]=3 2396 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,2,0,0,0,0|2,0,0]=4 2397 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|0,1,1]=4 2398 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [0,2,0,0,0,0|1,1,0]=4 2399 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [0,2,0,0,0,0|1,1,0]=4 2400 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [0,2,0,0,0,0|0,2,0]=4 2401 B8R0.7 COCCOCC(F)F bfb3aef41338718e9933cdd37f72b0d7 [0,2,0,0,0,0|1,1,0]=4 2402 B8R0.7 COCCOCN(C)C 5f430e22d7d61b20b5ef9532a0187c14 [0,2,0,0,0,0|2,0,0]=4 2403 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,2,0,0,0,0|1,1,0]=4 2404 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [0,2,0,0,0,0|1,1,0]=4 2405 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [0,2,0,0,0,0|1,1,0]=4 2406 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|0,1,1]=4 2407 B8R0.7 COCNCCC(C)C d504197e2de2477c0ef95d33ccdc019c [0,2,0,0,0,0|1,1,0]=4 2408 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,2,0,0,0,0|0,1,0]=3 2409 B8R0.7 COCNCCC(F)F 7ed57bde4e0e6e2f4e2e0b5fe590aa39 [0,2,0,0,0,0|1,1,0]=4 2410 B8R0.7 COCNCCN(C)C 7f4cf720f28b1d7b9a94e939905f0b67 [0,2,0,0,0,0|2,0,0]=4 2411 B8R0.7 COCNCCS(=O)C c1b03b36250a7d65845034eba40ff581 [0,2,0,0,0,0|1,0,1]=4 2412 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,2,0,0,0,0|1,1,0]=4 2413 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,2,0,0,0,0|0,1,0]=3 2414 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,2,0,0,0,0|0,1,0]=3 2415 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,2,0,0,0,0|2,0,0]=4 2416 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,2,0,0,0,0|0,1,1]=4 2417 B8R0.7 COCOCCC(C)C bcaaca22e174aa65ea31c88fa163f2b9 [0,2,0,0,0,0|1,1,0]=4 2418 B8R0.7 COCOCCC(F)F a1868dc0e7653329043c1f7862dbd8b8 [0,2,0,0,0,0|1,1,0]=4 2419 B8R0.7 COCOCCN(C)C 8bd0804b3ca98a562e1fae9ec45423b6 [0,2,0,0,0,0|2,0,0]=4 2420 B8R0.7 COCOCCS(=O)C 5c514c40760f28852b9a3cba0a2dcded [0,2,0,0,0,0|1,0,1]=4 2421 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,2,0,0,0,0|1,0,1]=4 2422 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,2,0,0,0,0|0,0,1]=3 2423 B8R0.7 CS(=O)CCNCCBr 65a2b15dd6aa44ab4cdd342d230b704b [0,2,0,0,0,0|1,0,1]=4 2424 B8R0.7 CS(=O)CCNCCF cbee396aafd868112d9d9f046e829220 [0,2,0,0,0,0|1,0,1]=4 2425 B8R0.7 CS(=O)CCNCCI 629ce25a6db322c2ba9dda0f6a58fe44 [0,2,0,0,0,0|1,0,1]=4 2426 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,2,0,0,0,0|0,0,1]=3 2427 B8R0.7 CS(=O)CCNCCS 49818c7057088eae67f281721402a222 [0,2,0,0,0,0|0,1,1]=4 2428 B8R0.7 CS(=O)CCOCCF fdaadfc676436847a62c0e42bb0f6865 [0,2,0,0,0,0|1,0,1]=4 2429 B8R0.7 CS(=O)CCOCCS 189076507e3322af2f6154476fa0f988 [0,2,0,0,0,0|0,1,1]=4 2430 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,2,0,0,0,0|0,0,2]=4 2431 B8R0.7 CSCCCNC(C)C 6b279fd0ea31fe5ab25c2d7757b17983 [0,2,0,0,0,0|1,0,0]=3 2432 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [0,2,0,0,0,0|1,0,0]=3 2433 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|0,0,2]=4 2434 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,2,0,0,0,0|0,0,2]=4 2435 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|0,0,1]=3 2436 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,2,0,0,0,0|1,0,0]=3 2437 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,2,0,0,0,0|0,0,0]=2 2438 B8R0.7 CSCCNCC(F)F bcac50194a0f7b56b8f27f36d0f3ce16 [0,2,0,0,0,0|1,0,0]=3 2439 B8R0.7 CSCCNCN(C)C edda138cdc9bd8edfa25bc3427b1419d [0,2,0,0,0,0|2,0,0]=4 2440 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,2,0,0,0,0|0,0,0]=2 2441 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,2,0,0,0,0|0,0,0]=2 2442 B8R0.7 CSCCNC[N+](=O)[O-] 4e94b2e61054a620ea96c1c59120e88c [0,2,0,0,0,0|1,0,1]=4 2443 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|0,0,2]=4 2444 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,2,0,0,0,0|0,0,2]=4 2445 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,2,0,0,0,0|0,0,1]=3 2446 B8R0.7 CSCCOCC(=S)N 8e53e76a280366e5d6cfa827b0973738 [0,2,0,0,0,0|0,1,1]=4 2447 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,2,0,0,0,0|1,0,0]=3 2448 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,2,0,0,0,0|1,0,0]=3 2449 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,2,0,0,0,0|0,1,0]=3 2450 B8R0.7 CSCCOCC(F)F e98aee61b172b8e57c0b6dc807c6e22c [0,2,0,0,0,0|1,0,0]=3 2451 B8R0.7 CSCCOCN(C)C 9308692fd6962d1147703bf4247f7a7d [0,2,0,0,0,0|2,0,0]=4 2452 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,2,0,0,0,0|1,0,0]=3 2453 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,2,0,0,0,0|1,0,0]=3 2454 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,2,0,0,0,0|1,0,0]=3 2455 B8R0.7 CSCCOC[N+](=O)[O-] 2bf267c3fb5b82c38f2e976f242beca6 [0,2,0,0,0,0|1,0,1]=4 2456 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,2,0,0,0,0|0,0,2]=4 2457 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|0,0,1]=3 2458 B8R0.7 CSCNCCC(=S)N 07fc989e9e3a9aa655f41a9b936a37d9 [0,2,0,0,0,0|0,1,1]=4 2459 B8R0.7 CSCNCCC(C)C 1214140341214495e484e265d71b8d27 [0,2,0,0,0,0|1,0,0]=3 2460 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,2,0,0,0,0|0,0,0]=2 2461 B8R0.7 CSCNCCC(F)F 66a1efcff813c3e9ed1222e2a67e4868 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.7 CSCNCCN(C)C 9d3024d7eac1e67f9ded5bf630b1a615 [0,2,0,0,0,0|2,0,0]=4 2463 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,2,0,0,0,0|1,0,1]=4 2464 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,2,0,0,0,0|1,0,0]=3 2465 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,2,0,0,0,0|0,0,0]=2 2466 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,2,0,0,0,0|0,0,0]=2 2467 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|0,0,2]=4 2468 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,2,0,0,0,0|0,0,2]=4 2469 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,2,0,0,0,0|0,0,1]=3 2470 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [0,2,0,0,0,0|1,0,0]=3 2471 B8R0.7 CSCOCCC(F)F 83ce2dc8d7430cd45d5790e41750074e [0,2,0,0,0,0|1,0,0]=3 2472 B8R0.7 CSCOCCN(C)C 12c65a5bf6ef4fa41ce73a42c72404c0 [0,2,0,0,0,0|2,0,0]=4 2473 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,2,0,0,0,0|1,0,1]=4 2474 B8R0.7 CSCOCC[N+](=O)[O-] a8e53e59529e1e59f22f7e8be399ce4a [0,2,0,0,0,0|1,0,1]=4 2475 B8R0.7 C[C@@H](F)COCCCF 8805caf11ad5173a48da127f306cfd46 [0,2,0,0,0,0|2,0,0]=4 2476 B8R0.7 C[C@@H](F)COCCCS 52a73dcf003de152a94ea23565833dab [0,2,0,0,0,0|1,1,0]=4 2477 B8R0.7 C[C@@H](O)CCNCC#N 07f11473eb282800c579759c12b8e195 [0,2,0,0,0,0|2,0,0]=4 2478 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [0,2,0,0,0,0|2,0,0]=4 2479 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,2,0,0,0,0|2,0,0]=4 2480 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,2,0,0,0,0|1,0,0]=3 2481 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,2,0,0,0,0|1,1,0]=4 2482 B8R0.7 C[C@@H](O)CNCCC#N 76d157afd1ee48e36135e012257d2afd [0,2,0,0,0,0|2,0,0]=4 2483 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [0,2,0,0,0,0|2,0,0]=4 2484 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,2,0,0,0,0|2,0,0]=4 2485 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,2,0,0,0,0|2,0,0]=4 2486 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,2,0,0,0,0|1,0,0]=3 2487 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,2,0,0,0,0|1,1,0]=4 2488 B8R0.7 C[C@@H](O)CNCCON cf5735b15a5d6d2ceccc8de528ff0d1e [0,2,0,0,0,0|1,1,0]=4 2489 B8R0.7 C[C@@H](O)CNCSC#N 593b4da14aa2593ff12b51b6bb21f2f5 [0,2,0,0,0,0|1,0,1]=4 2490 B8R0.7 C[C@H](F)COCCCF 1d700dd3528aa4704e235d13af34ba12 [0,2,0,0,0,0|2,0,0]=4 2491 B8R0.7 C[C@H](F)COCCCS 5c5cb3ef07f9bf5feab54c6a3593d0af [0,2,0,0,0,0|1,1,0]=4 2492 B8R0.7 C[C@H](O)CCNCC#N 444927f01db5dfbb8e82899248cdd74a [0,2,0,0,0,0|2,0,0]=4 2493 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [0,2,0,0,0,0|2,0,0]=4 2494 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,2,0,0,0,0|2,0,0]=4 2495 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,2,0,0,0,0|1,0,0]=3 2496 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,2,0,0,0,0|1,1,0]=4 2497 B8R0.7 C[C@H](O)CNCCC#N f9295a02cf77f70c51159fea1fcb5e9e [0,2,0,0,0,0|2,0,0]=4 2498 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [0,2,0,0,0,0|2,0,0]=4 2499 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,2,0,0,0,0|2,0,0]=4 2500 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,2,0,0,0,0|2,0,0]=4 2501 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,2,0,0,0,0|1,0,0]=3 2502 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,2,0,0,0,0|1,1,0]=4 2503 B8R0.7 C[C@H](O)CNCCON 0c3e84561343164f8035aff04b6f605b [0,2,0,0,0,0|1,1,0]=4 2504 B8R0.7 C[C@H](O)CNCSC#N 409e481da31d395249db002f28c4aaf0 [0,2,0,0,0,0|1,0,1]=4 2505 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,2,0,0,0,0|2,0,0]=4 2506 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|2,0,0]=4 2507 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|2,0,0]=4 2508 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,2,0,0,0,0|1,0,1]=4 2509 B8R0.7 NC(=S)CCNCCO 0bf63ce335ba1738d3e60f4bb45b5800 [0,2,0,0,0,0|2,0,0]=4 2510 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,2,0,0,0,0|1,0,1]=4 2511 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,2,0,0,0,0|1,0,1]=4 2512 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|2,0,0]=4 2514 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,2,0,0,0,0|1,0,1]=4 2515 B8R0.7 O=[N+]([O-])CNCCCO 699823c2bacae1528b933bc0154f67ed [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.7 OCCCNCC(F)F f30d0f1fb00ca8a3ad6293d94c8c9e69 [0,2,0,0,0,0|2,0,0]=4 2517 B8R0.7 OCCNCCC(F)F 2e9e569a16779ff0e140f1a1670838df [0,2,0,0,0,0|2,0,0]=4 2518 B8R0.7 OCNCCOC(F)F f00d09b261a6099e14b892ef4367603b [0,2,0,0,0,0|1,1,0]=4 2519 B8R0.3 CCC(C)C(C)NCO 277f53ad262119755b7dcc96cccca676 [0,2,0,0,0,0|2,0,0]=4 2520 B8R0.3 CCC(C)N(C)CCO ce9dc1d5d90d70d93850fd69ffcd5f10 [0,2,0,0,0,0|2,0,0]=4 2521 B8R0.3 CCC(C)N(C)CSC c030143eb8397d3f16edf3acc369c78b [0,2,0,0,0,0|2,0,0]=4 2522 B8R0.3 CCCN(C)C(C)CO 8beda8059033dea1a0c2a56f23876ffd [0,2,0,0,0,0|2,0,0]=4 2523 B8R0.3 CCCN(C)[C@@H](C)CO ea309c3d5effa1e0573b19703dee4a64 [0,2,0,0,0,0|2,0,0]=4 2524 B8R0.3 CCCN(C)[C@H](C)CO db553edf061f0eb78c1b59d7ccaebc82 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.3 CCN(C)C(C)CCO 147ef76c8fa4150e2aaf31d64798013d [0,2,0,0,0,0|2,0,0]=4 2526 B8R0.3 CCN(C)[C@@H](C)CCO 24ac5e527b3f4820ff3091cd834d29a1 [0,2,0,0,0,0|2,0,0]=4 2527 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,2,0,0,0,0|2,0,0]=4 2528 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,2,0,0,0,0|2,0,0]=4 2529 B8R0.8 CC(C)C(C)NCCO 1619d105daf7c51230c4b6257a710c36 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.8 CC(C)C(O)CNCO f409a810f32d0de494f8d587b41b69c6 [0,2,0,0,0,0|2,0,0]=4 2531 B8R0.8 CC(C)N(C)CCCO e3fdd0b9c377308db32c72e64584dc65 [0,2,0,0,0,0|2,0,0]=4 2532 B8R0.8 CC(C)[C@@H](C)NCCO 93e06873f6ef60f625c37b13a6ebb5e9 [0,2,0,0,0,0|2,0,0]=4 2533 B8R0.8 CC(C)[C@H](C)NCCO 4837ecbe37600d9a357778ac43fef7f9 [0,2,0,0,0,0|2,0,0]=4 2534 B8R0.8 CC(CNCO)N(C)C 755f69d44539e6f74e0cd806d3be351f [0,2,0,0,0,0|2,0,0]=4 2535 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.8 COCNC(C)C(C)O d7e5822464b4c17df026f3154a34adc6 [0,2,0,0,0,0|1,1,0]=4 2538 B8R0.8 CSCCN(C)C(C)C 8ad12d4699cfc51ee74e0cbfb73cd06c [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,2,0,0,0,0|1,0,1]=4 2540 B8R0.8 CSCNC(C)C(C)C 51acb59e1f0fbf5f5b25df1165f572ec [0,2,0,0,0,0|2,0,0]=4 2541 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,2,0,0,0,0|1,0,0]=3 2542 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,2,0,0,0,0|1,0,1]=4 2543 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,2,0,0,0,0|1,0,1]=4 2544 B8R0.8 CSCN[C@@H](C)C(C)C 4ab9b679ebc9a80bf01bcaae89dc4661 [0,2,0,0,0,0|2,0,0]=4 2545 B8R0.8 CSCN[C@@H](C)C(F)F 83c88621ace9701c7897d2d3b9464bb7 [0,2,0,0,0,0|2,0,0]=4 2546 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,2,0,0,0,0|1,0,1]=4 2547 B8R0.8 CSCN[C@H](C)C(C)C 2d29b2303be9f4b27e85050f3501c685 [0,2,0,0,0,0|2,0,0]=4 2548 B8R0.8 CSCN[C@H](C)C(F)F 80f9fd687c7d06174660cfb3f92e261e [0,2,0,0,0,0|2,0,0]=4 2549 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,2,0,0,0,0|1,0,1]=4 2550 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,2,0,0,0,0|2,0,0]=4 2551 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,2,0,0,0,0|1,1,0]=4 2552 B8R0.8 CSCOC(C)C(F)F 949f90cd0968956994add172503883ce [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,2,0,0,0,0|1,0,1]=4 2554 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,2,0,0,0,0|1,0,1]=4 2556 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.9 C=C(C)CNC(C)CO 5159a8bb82cabf2648e9cdde51d9f87d [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.9 C=C(C)CN[C@@H](C)CO f4d1778cd45c27cf148f0822304507c8 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.9 C=C(C)CN[C@H](C)CO f1c10bccf9821522bb3892f2794d0864 [0,2,0,0,0,0|2,0,0]=4 2560 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|2,0,0]=4 2562 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|2,0,0]=4 2563 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,2,0,0,0,0|2,0,0]=4 2564 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,2,0,0,0,0|2,0,0]=4 2565 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,2,0,0,0,0|2,0,0]=4 2566 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,2,0,0,0,0|2,0,0]=4 2571 B8R0.9 CC(C)CCN(C)CO f141a62767fa31ad71a19f797e7ee8f2 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,2,0,0,0,0|2,0,0]=4 2574 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,2,0,0,0,0|2,0,0]=4 2575 B8R0.9 CC(C)NCC(F)CO 57945639b2aa5eadc3925f215efa7d75 [0,2,0,0,0,0|2,0,0]=4 2576 B8R0.9 CC(C)NCC(O)CO c4c4b95ef9e7e99b58507370307de3cd [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.9 CC(C)NC[C@@H](F)CO f5fc97f4a19a821fbb0f5991a2377115 [0,2,0,0,0,0|2,0,0]=4 2578 B8R0.9 CC(C)NC[C@@H](O)CO 4ed7ffd88ee5a4ec2e5ace2cbcdac84e [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.9 CC(C)NC[C@H](C)CO e9adf2a77c54dea0e47e774e7144a50c [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.9 CC(C)NC[C@H](F)CO 80e5cd77bb3f635b441bec4926980c30 [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.9 CC(C)NC[C@H](O)CO a6cbe2fe699ae5eae98d67fbc9aac7de [0,2,0,0,0,0|2,0,0]=4 2582 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,2,0,0,0,0|2,0,0]=4 2583 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.9 CC(CO)CNC(C)C 8a23f9be65dcc9a39c28dfdb6031b0d4 [0,2,0,0,0,0|2,0,0]=4 2586 B8R0.9 CC(CO)NCN(C)C 9f334c9a32600ad6ec37d22a14ae3c93 [0,2,0,0,0,0|2,0,0]=4 2587 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,2,0,0,0,0|2,0,0]=4 2588 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,2,0,0,0,0|2,0,0]=4 2589 B8R0.9 CC(O)CCN(C)CO 7a6421ea4c5ed918115902892e0fc97b [0,2,0,0,0,0|2,0,0]=4 2590 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,2,0,0,0,0|2,0,0]=4 2591 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,2,0,0,0,0|2,0,0]=4 2592 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,2,0,0,0,0|2,0,0]=4 2593 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,2,0,0,0,0|2,0,0]=4 2594 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,2,0,0,0,0|2,0,0]=4 2595 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,2,0,0,0,0|2,0,0]=4 2596 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,2,0,0,0,0|2,0,0]=4 2597 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,2,0,0,0,0|2,0,0]=4 2598 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,2,0,0,0,0|2,0,0]=4 2599 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,2,0,0,0,0|2,0,0]=4 2600 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,2,0,0,0,0|2,0,0]=4 2601 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,2,0,0,0,0|2,0,0]=4 2602 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,2,0,0,0,0|2,0,0]=4 2603 B8R0.9 CN(C)CCN(C)CO e75cff476fd73ad16c0517be91573d05 [0,2,0,0,0,0|2,0,0]=4 2604 B8R0.9 C[C@@H](CO)NCN(C)C 760502b538f2077bccfcc9e3d0290502 [0,2,0,0,0,0|2,0,0]=4 2605 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,2,0,0,0,0|2,0,0]=4 2606 B8R0.9 C[C@H](CO)NCN(C)C ac64443f3863360bbcaabbdf1fd1065c [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,2,0,0,0,0|2,0,0]=4 2608 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,2,0,0,0,0|2,0,0]=4 2609 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,2,0,0,0,0|2,0,0]=4 2610 B8R0.11 C#CC(CC)OCSC 69fee0a503f5d1671da5e803f1ed055b [0,2,0,0,0,0|2,0,0]=4 2611 B8R0.11 C=CC(CC)OCSC 8ad41cd97e56cb5ea78fa59e1c98869b [0,2,0,0,0,0|2,0,0]=4 2612 B8R0.11 C=C[C@@H](CO)NCCC dbf80c876fbb8dcf06535205d9e2b255 [0,2,0,0,0,0|2,0,0]=4 2613 B8R0.11 C=C[C@@H](CO)NCOC 0153530615bf1a82e20beea532a20ae7 [0,2,0,0,0,0|1,1,0]=4 2614 B8R0.11 C=C[C@@H](CO)NCSC de61dd601a1d75bc767e90a7378569d3 [0,2,0,0,0,0|1,0,0]=3 2615 B8R0.11 CCC(C#N)OCSC 868b23f07c7ea37c26366fd60dbf5893 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.11 CCC(C=O)NCCO 0ef6baa986478af3845ad64b43273775 [0,2,0,0,0,0|2,0,0]=4 2617 B8R0.11 CCC(CC)CNCO 746179f5a7319763357ecc4319ef1d4e [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.11 CCC(CC)NCCO d58b1c58f28bba46367e63f966f1872f [0,2,0,0,0,0|2,0,0]=4 2619 B8R0.11 CCC(CC)NCSC 412d616fd9e136d45ac690b333033eef [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.11 CCC(CC)OCSC 79d5063cdd78d3f93ab595b49d440cce [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.11 CCC(CO)CNCO f4ead70b83a1d6129f159796f4ac9db5 [0,2,0,0,0,0|2,0,0]=4 2622 B8R0.11 CCC(CO)NCCO ed32f9961dc32ce448cdbe7b92adb26a [0,2,0,0,0,0|2,0,0]=4 2623 B8R0.11 CCC(CO)NCOC 078c186580d45ea274fa3409f76c15af [0,2,0,0,0,0|1,1,0]=4 2624 B8R0.11 CCC(CO)NCSC b861a5a5b392c8da7211f9f9dd9d339c [0,2,0,0,0,0|1,0,0]=3 2625 B8R0.11 CCCCN(CC)CO 357cfc04e742bfe2a111c827fc08c91d [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.11 CCCNC(CC)CO 18fc997e699e711c2231a1e18c184815 [0,2,0,0,0,0|2,0,0]=4 2627 B8R0.11 CCCNC(CO)CO 00a487eecd6e21acf35e21d6fc5bcc45 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.11 CCCN[C@@H](CC)CO f14436f2737b9dbc3051d6d9b364b94f [0,2,0,0,0,0|2,0,0]=4 2629 B8R0.11 CCCN[C@H](CC)CO 81a649534946bc6ce248c71efca3ef7e [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.11 CCCOC(CO)CO 3fab4738851b0062dfd9d64d8b9970f3 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.11 CCN(C=O)CCCO 1400c17018da6a8c616cf48985189e21 [0,2,0,0,0,0|2,0,0]=4 2632 B8R0.11 CCN(CC)CCCO 42a98906d6288c2f3b8e1f496b44c79c [0,2,0,0,0,0|2,0,0]=4 2633 B8R0.11 CCN(CF)CCCO c21bda18136a85af5aca8b69c4fd8697 [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.11 CCN(CO)CCCO d64066af2c2ce0c75da14a6fbb0a40e0 [0,2,0,0,0,0|2,0,0]=4 2635 B8R0.11 CCN(CO)CCOC 21368dea798e2d58da0fd51deda6c863 [0,2,0,0,0,0|1,1,0]=4 2636 B8R0.11 CCNCC(CC)CO af6af2e10d8202238ef5944a294c025c [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.11 CCNCC(CO)CO 78f9a8f41e658c533084dd84cea09cea [0,2,0,0,0,0|2,0,0]=4 2638 B8R0.11 CCNC[C@H](CO)OC f1b838e35b3971f2096ee819dd16e94f [0,2,0,0,0,0|2,0,0]=4 2639 B8R0.11 CC[C@@H](CO)NCCO 7b93a39872b6551b532bd6e8bbd5ec65 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.11 CC[C@@H](CO)NCOC 075733316857782eaefc2e837dcaf4c5 [0,2,0,0,0,0|1,1,0]=4 2641 B8R0.11 CC[C@@H](CO)NCSC b0087d0db4955c611258d5b10128f64d [0,2,0,0,0,0|1,0,0]=3 2642 B8R0.11 CC[C@H](CO)NCCO e3d68c99acf76f3a4f2f6310cbcd4548 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.11 CC[C@H](CO)NCOC e9adf39b09e53830acc8bb086083b6e5 [0,2,0,0,0,0|1,1,0]=4 2644 B8R0.11 CC[C@H](CO)NCSC 5a01ade357a562b1b9ae7501c2058894 [0,2,0,0,0,0|1,0,0]=3 2645 B8R0.11 COC(CNCO)OC 2fb56a2e7a21dba07ae226f06d05e8a9 [0,2,0,0,0,0|1,1,0]=4 2646 B8R0.11 COCNC(CO)CO 87487448b1adadad875f1e626032842d [0,2,0,0,0,0|1,1,0]=4 2647 B8R0.11 COCOC(CO)CO 14669455d611233fb18ec88b31560cf9 [0,2,0,0,0,0|1,1,0]=4 2648 B8R0.11 CO[C@@H](CO)CNCO d79d307765ac209b795ed9fd93cd025d [0,2,0,0,0,0|1,1,0]=4 2649 B8R0.11 CSCNC(CO)CO 57cb58e3ffa4a002e0e62812eb771820 [0,2,0,0,0,0|1,0,0]=3 2650 B8R0.11 CSCOC(CBr)CBr 5f43e86058b1eb92798ed688c4c878b7 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.11 CSCOC(CCl)CBr 6d19b2f3b857f2205ba1c040394cbc8c [0,2,0,0,0,0|2,0,0]=4 2652 B8R0.11 CSCOC(CCl)CCl 0f0307e463c8bd46eae6ffd13e9d7818 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.11 CSCOC(CF)CF 6460566dbf59952c0902693c26f73e5a [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.11 CSCO[C@@H](CCl)CI bf9839c2caa1e6a91afcc8f16ef7b68b [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.11 CSCO[C@H](CCl)CI 3af9dc1704bd9c0dd948b68515646ef3 [0,2,0,0,0,0|2,0,0]=4 2656 B8R0.19 CCC(C)NC(C)CO 39c372ea4cef1456332b0e4a891f2be4 [0,2,0,0,0,0|2,0,0]=4 2657 B8R0.19 CCC(C)N[C@@H](C)CO 03a0460ae5de8db8276fc6c4f3d9cea4 [0,2,0,0,0,0|2,0,0]=4 2658 B8R0.19 CCC(C)N[C@H](C)CO 9839a5c86ff60244cdc275d1b4d9331f [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.19 CCC(O)CN(C)CO 54fe76ed8fcd6451ff39e55c2b1e0de7 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.19 CCN(C)CC(C)CO 57aed0ddb41a49ac36f9f8539801655e [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.19 CCN(C)CC(O)CO 1d1312ada3c341da8de27cc3789abca2 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.19 CCN(C)C[C@@H](C)CO ddade9d6e3ba337d6b393a00c773647d [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.19 CCN(C)C[C@@H](O)CO e64e4131d671816539b2429b245cd316 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.19 CCN(C)C[C@H](C)CO 0a9476f9cc602f73744eac4366c36b7c [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.19 CCN(C)C[C@H](O)CO f45fa40fd7de9da18f9df806f59986f2 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.19 CC[C@@H](C)NC(C)CO 18ed6fc25b8c14c4191fbfb8a29f3353 [0,2,0,0,0,0|2,0,0]=4 2667 B8R0.19 CC[C@@H](C)N[C@@H](C)CO 007782dc3ac7f491d3f6b8d8f3339b58 [0,2,0,0,0,0|2,0,0]=4 2668 B8R0.19 CC[C@@H](C)N[C@H](C)CO b5aae793b89cbba911f055e04d55acb2 [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.19 CC[C@H](C)NC(C)CO 3726c8f35150bd5080044acffa8a570c [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.19 CC[C@H](C)N[C@@H](C)CO 762e9a16ea4b3bc73b0f3048e55d1b5d [0,2,0,0,0,0|2,0,0]=4 2671 B8R0.19 CC[C@H](C)N[C@H](C)CO 3fb6e84edfa80d94f40bae64bba9a957 [0,2,0,0,0,0|2,0,0]=4 2672 B8R0.25 CCC(C)(C)CNCO 293da36f33b9b0d04d9976fe69f4f5b0 [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.25 CCC(C)(C)NCCO 1fa36b153325fd426754ac4f6e4f58df [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.25 CCC(C)(C)NCSC 5f8bb1208a809fe2f43ece73d050260c [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.25 CCC(C)(O)CNCO 9530219d75896d748ec189a8c2b5a9d7 [0,2,0,0,0,0|2,0,0]=4 2676 B8R0.25 CCCNC(C)(C)CO c96a4e510c92aa5860ad36e87296bdd6 [0,2,0,0,0,0|2,0,0]=4 2677 B8R0.25 CCNCC(C)(C)CO bbeaca4ba81ce071724a83e21aca8027 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.25 CCNCC(F)(F)CO 80507197384783550828cb1e2a3dc324 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.25 COC(C)(C)CNCO ca38a3f4c7d16b30bb1ac467e5ca4e6e [0,2,0,0,0,0|1,1,0]=4 2680 B8R0.25 COCNC(C)(C)CO d8501271b6bc29f8f048d3bed9d13fd8 [0,2,0,0,0,0|1,1,0]=4 2681 B8R0.25 CSCNC(C)(C)CF 5f55fd173f1a77123ce7b9af3caeb879 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.25 CSCNC(C)(C)CO d001c37ada39e1af4a47ed8cddcc07fe [0,2,0,0,0,0|1,0,0]=3 2683 B8R0.5 C=C(C)CN(C)CCO 3d91c7b5e7811a5d832abe616ae4a280 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.5 CC(C)CC(C)NCO fda8b77345a43971581a5fdf198496ed [0,2,0,0,0,0|2,0,0]=4 2688 B8R0.5 CC(C)CN(C)CCO 88c09d521cd5d8864d09de40f53a5749 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.5 CC(C)NC(C)CCO 9e72e2294640a5a5bdd47c8c15fa6ebc [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.5 CC(C)N[C@@H](C)CCO f00801b59b355a8660dff24ba4f60f20 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.5 CC(C)N[C@H](C)CCO 17f4d157c114d55502ca3004b5471931 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.5 CC(CN(C)C)NCO 86317f4a1c7ddfe5ccc0d892a8d8baa8 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.5 CC(O)CC(C)NCO a3e3cf347616fa2466ad965e211d77eb [0,2,0,0,0,0|2,0,0]=4 2694 B8R0.5 CC(O)CN(C)CCO b8c93809fd363b893059df214df9a71f [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,2,0,0,0,0|2,0,0]=4 2697 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,2,0,0,0,0|2,0,0]=4 2699 B8R0.5 CN(C)CN(C)CCO 4e6dcd4d772c57dbd049efe6a2664d25 [0,2,0,0,0,0|2,0,0]=4 2700 B8R0.5 COCN(C)CC(C)O 236ef8cf66ea95220e886cd11f898eee [0,2,0,0,0,0|1,1,0]=4 2701 B8R0.5 COCN(C)C[C@H](C)O d0cec2a0e9e49d3fd200a1f1b3460073 [0,2,0,0,0,0|1,1,0]=4 2702 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,2,0,0,0,0|2,0,0]=4 2703 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,2,0,0,0,0|1,0,1]=4 2704 B8R0.5 CSCN(C)CC(C)C b4880058f7b62851863b99827752cd7e [0,2,0,0,0,0|2,0,0]=4 2705 B8R0.5 CSCN(C)CC(C)O 19b09d20f60ba10a7233c42a0094d940 [0,2,0,0,0,0|1,0,0]=3 2706 B8R0.5 CSCN(C)CC(F)F 7f7c64aca4d5137005fdb3baf93076ed [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.5 CSCN(C)C[C@H](C)O a1cd0a54d282bd0dcdd24b2e9143dd2d [0,2,0,0,0,0|1,0,0]=3 2708 B8R0.5 C[C@@H](CN(C)C)NCO 483617ff20000e2595aa9dc0be74f33e [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.5 C[C@@H](O)CN(C)CCO b2075f300e9096bf9f56060a06fe5fff [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.5 C[C@H](CN(C)C)NCO 568346fcb0e59c831142035b0fe67d54 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.5 C[C@H](O)CN(C)CCO 3ac89c90dc792061538bdb13c697b5b7 [0,2,0,0,0,0|2,0,0]=4 2712 B8R0.21 CC(C)(C)CCNCO b014078006b71f2e4b73e840c55a1d90 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.21 CC(C)(C)CNCCO 1969be2a44e089e2071e08e64ddba8c7 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.21 CC(C)(C)NCCCO b161af4e0b232ec3e3dd48a4f93f64fd [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.21 CC(C)(F)CCNCO a9cf27bfe354541c80e743501f86a62f [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.21 CC(C)(F)CNCCO 3ffdcadd4c4375266f1503c3a0acf28f [0,2,0,0,0,0|2,0,0]=4 2717 B8R0.21 CC(C)(O)CCNCO 2b9aaa913a62fa11814823541928ac4b [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.21 CC(C)(O)CNCCO 01ce85d4a372c912a8dbff055728e440 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.21 CC(F)(F)CNCCO 070c06b0a13ad169dd96db3d5478c556 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.21 CCCNCC(C)(C)O 18de978f243abf958b8fb4be676e0386 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.21 CCCOCC(C)(C)O 1864f457114911e4333323706aaf3c13 [0,2,0,0,0,0|2,0,0]=4 2722 B8R0.21 CCNCCC(C)(C)O 7d616527998e37b4e6709c30ce776bec [0,2,0,0,0,0|2,0,0]=4 2723 B8R0.21 COCNCC(C)(C)O b0fcf19c1ed04c9dde7445a33a78a5d2 [0,2,0,0,0,0|1,1,0]=4 2724 B8R0.21 COCOCC(C)(C)O 0b796b43c3359db91756302629b5b25c [0,2,0,0,0,0|1,1,0]=4 2725 B8R0.21 CS(=O)(=O)CCNCO b53310cc6080ccc7285ed5ee3722bc9c [0,2,0,0,0,0|1,0,1]=4 2726 B8R0.21 CS(=O)(=O)CNCCO 3c300d30080477580dd724dbedfe07e5 [0,2,0,0,0,0|1,0,1]=4 2727 B8R0.21 CSCCNC(C)(C)C 73c3f6545406df670de5f8baeac9e0c3 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.21 CSCNCC(C)(C)C 9957b5133d348cb505544a33bdacff11 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.21 CSCNCC(C)(C)O 2958c74c1780f4b78ffaf2dfd4f45e6a [0,2,0,0,0,0|1,0,0]=3 2730 B8R0.21 CSCNCC(C)(F)F 16719129023ae8f7328d89ef02779fb0 [0,2,0,0,0,0|2,0,0]=4 2731 B8R0.21 CSCNCC(F)(F)F 8feb493ed0d1c88c1b16dca6add1ab5c [0,2,0,0,0,0|2,0,0]=4 2732 B8R0.21 CSCNCS(=O)(=O)O 62363713e894550100cea6b057608371 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.21 CSCOCC(C)(C)Br dd6cf3d5d90fba65b6081a6ea347690a [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.21 CSCOCC(C)(C)C f7ac26bc8e0c637cb81c5346ce445a3e [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.21 CSCOCC(C)(C)F de768007140390ebdc9de9d45c75f3db [0,2,0,0,0,0|2,0,0]=4 2736 B8R0.21 CSCOCC(C)(C)S acba3136d2d5a9e375722d36d49cacbc [0,2,0,0,0,0|1,1,0]=4 2737 B8R0.21 CSCOCC(C)(F)F bfb0c657181c110d127e010578345451 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.21 CSCOCC(F)(F)Br dbe16d5436edc24c3526f5e34ee1b447 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.21 CSCOCC(F)(F)Cl 5837dad2c9c04383cc258e041052fe90 [0,2,0,0,0,0|2,0,0]=4 2740 B8R0.21 CSCOCC(F)(F)F e6613dc809083e1d776dd5760b09228a [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.28 C=C(C)CNCC(C)O 2b714059ab9907260e6aaccb52d1cb14 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.28 C=C(C)CNC[C@@H](C)O c594a1781a89398e4ea1a6fed43fc869 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.28 C=C(C)CNC[C@H](C)O a78b3c91bc5afc2963451088f5a91de2 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,2,0,0,0,0|2,0,0]=4 2748 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.28 CC(O)CNCN(C)C 7ab35b459b0e2a8c24cce369c7516e65 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,2,0,0,0,0|2,0,0]=4 2760 B8R0.28 C[C@@H](O)CNCN(C)C a621fba5932a5a91195f957cafc83517 [0,2,0,0,0,0|2,0,0]=4 2761 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.28 C[C@H](O)CNCN(C)C 71021cc17fa239f6175ca48c6a3f76ca [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.22 CCC(COC)NCO 03d8d7a13e240bda53cab404bafe37f7 [0,2,0,0,0,0|1,1,0]=4 2766 B8R0.22 CCC(CSC)OCF 2ad6205708c499d48b4ee5a13ffd89a9 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.22 CCCC(CO)NCO 9c3e40eec7a20c9c6bcd4b99ddb42413 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,2,0,0,0,0|2,0,0]=4 2769 B8R0.22 CCCN(CC)CCO e12c7b9084df978bc76507edd9bb317c [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.22 CCCN(CC)CSC a60d359435bfdd67a351c0f62c52b47e [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.22 CCCN(CF)CCO 947883a1ea303d435cd0024eececcb8b [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.22 CCCN(CO)CCO a9884a3b6c19ddd60ead7c1eabb3daee [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.22 CCC[C@@H](CO)NCO 4ac90204e4f97fc46e69b3f0ded63d81 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.22 CCC[C@H](CO)NCO e0683eee624d27f46b1a3348d30863a7 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.22 CCN(CCCl)CSC 8af628d9a85c62aef5c9ddfacd0c615a [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.22 CCN(CCO)COC 9099b2b31751a5605feb95e73a2364ea [0,2,0,0,0,0|1,1,0]=4 2777 B8R0.22 CCN(CCO)CSC d9bbcc3a3af0972fcb21cbffca60ef32 [0,2,0,0,0,0|1,0,0]=3 2778 B8R0.22 CCNC(CO)CCO 236b212c9afd3f6159230d9b4b9c0ea7 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.22 CCNC(CO)CSC 0e65411c385155047d82063e7040c80c [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.22 CCN[C@@H](CO)CCO e7b1ee3f6445a52557c502ec712e1ce8 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.22 COCC(CO)NCO fc6e63a9cec1042f4433d6dda8eb6964 [0,2,0,0,0,0|1,1,0]=4 2783 B8R0.22 COCN(CO)CCO f016aeda88273f0f69c7e5f063648888 [0,2,0,0,0,0|1,1,0]=4 2784 B8R0.22 CSCC(CO)NCF 3d5e3c45f9203688f4e26b2885f32781 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.22 CSCC(CO)NCO 3ce3f1f18db1b957b0c9389cd9867fbe [0,2,0,0,0,0|1,0,0]=3 2786 B8R0.22 CSCN(CO)CCO 24a609e113686e60d11c563abe1a7dde [0,2,0,0,0,0|1,0,0]=3 2787 B8R0.30 CCNC(C)(C)CCO fda6997d311c221bbc76b59309e8c52f [0,2,0,0,0,0|2,0,0]=4 2788 B8R0.30 CCNC(C)(C)CSC 884b2acbe33f548d9bec97c31366f486 [0,2,0,0,0,0|2,0,0]=4 2789 B8R0.30 COCC(C)(C)NCO ba7c6bbb7fadd2b9312952d951f1d2cd [0,2,0,0,0,0|1,1,0]=4 2790 B8R0.30 CSCC(C)(C)NCF fa695559e2b47d9ac128d27789974c45 [0,2,0,0,0,0|2,0,0]=4 2791 B8R0.30 CSCC(C)(C)NCO fd869fba8b41d45f68ca9540b6b641d1 [0,2,0,0,0,0|1,0,0]=3 2792 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [1,0,0,1,0,0|2,0,0]=4 2793 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [1,0,0,1,0,0|2,0,0]=4 2794 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [1,0,0,1,0,0|2,0,0]=4 2795 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [1,0,0,1,0,0|2,0,0]=4 2796 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [1,0,0,1,0,0|1,0,0]=3 2797 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,1,0,0|2,0,0]=4 2798 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [1,0,0,1,0,0|2,0,0]=4 2799 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [1,0,0,1,0,0|1,0,0]=3 2800 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,1,0,1,0,0|1,1,0]=4 2801 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,1,0,1,0,0|1,0,0]=3 2802 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,1,0,1,0,0|2,0,0]=4 2803 B8R1.2 FCN1CCCOC1 0813b9bdd7e109f7922171400e48b2a2 [0,1,0,1,0,0|1,1,0]=4 2804 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,1,0,1,0,0|1,0,0]=3 2805 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [0,1,0,1,0,0|2,0,0]=4 2806 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,1,0,0|0,0,2]=4 2807 B8R1.2 OCN1CC=CCC1 62ece6a5f9d8ed840fd2002de05e26aa [0,1,0,1,0,0|1,0,1]=4 2808 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,1,0,1,0,0|0,1,0]=3 2809 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,1,0,0|0,0,0]=2 2810 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,1,0,1,0,0|1,1,0]=4 2811 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,1,0,0|1,0,0]=3 2812 B8R1.8 C#CCN1CCSC1 a2598ea4e9dc91a277db96029979054c [0,1,0,1,0,0|1,0,1]=4 2813 B8R1.8 C=CCN1CCSC1 c7bae508a3ddd5996edad585492313e9 [0,1,0,1,0,0|1,0,1]=4 2814 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,1,0,1,0,0|1,0,0]=3 2815 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,1,0,1,0,0|2,0,0]=4 2816 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [0,1,0,1,0,0|1,1,0]=4 2817 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,1,0,1,0,0|1,0,0]=3 2818 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [0,1,0,1,0,0|1,1,0]=4 2819 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [0,1,0,1,0,0|1,1,0]=4 2820 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,1,0,1,0,0|1,1,0]=4 2821 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,1,0,1,0,0|0,1,0]=3 2822 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,1,0,1,0,0|1,1,0]=4 2823 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,1,0,1,0,0|1,0,0]=3 2824 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,1,0,1,0,0|1,1,0]=4 2825 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,1,0,1,0,0|1,0,0]=3 2826 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,1,0,1,0,0|1,1,0]=4 2827 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,1,0,1,0,0|1,0,0]=3 2828 B8R1.8 COCN1CCSC1 1354a17cb52202250a85ab8a0568af11 [0,1,0,1,0,0|1,0,0]=3 2829 B8R1.8 CSCN1CCSC1 9d3e3abde80ce9a8a19b07ba88ce837b [0,1,0,1,0,0|1,1,0]=4 2830 B8R1.8 FCCN1CCSC1 6af16dfa6898a2480480632ee8bf7317 [0,1,0,1,0,0|1,0,0]=3 2831 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,1,0,1,0,0|2,0,0]=4 2832 B8R1.8 FCNC1CCOC1 a39d054903b3f548b90847329214b8ab [0,1,0,1,0,0|1,1,0]=4 2833 B8R1.8 FCNC1CCSC1 37f1dd3a90121407b902e1f5d50fa4ed [0,1,0,1,0,0|1,0,0]=3 2834 B8R1.8 FCN[C@@H]1CCOC1 5f04ee51c4442d1ca2ee55d57aa504e1 [0,1,0,1,0,0|1,1,0]=4 2835 B8R1.8 FCN[C@H]1CCOC1 e91a7f0f41a61470c7c47303204e6353 [0,1,0,1,0,0|1,1,0]=4 2836 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,1,0,1,0,0|1,1,0]=4 2837 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,1,0,1,0,0|0,1,0]=3 2838 B8R1.8 FCOC1CCOC1 dd266c2430124fff3fce691c18e28234 [0,1,0,1,0,0|1,1,0]=4 2839 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,1,0,1,0,0|1,0,0]=3 2840 B8R1.8 FCO[C@@H]1CCOC1 2f0a74cb641694e38feb66e5e3e7011f [0,1,0,1,0,0|1,1,0]=4 2841 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,1,0,1,0,0|1,0,0]=3 2842 B8R1.8 FCO[C@H]1CCOC1 60d51a47377d177f8c280d0a99b59886 [0,1,0,1,0,0|1,1,0]=4 2843 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,1,0,1,0,0|1,0,0]=3 2844 B8R1.8 N#CCN1CCSC1 01cfcb44ad21c4f3af06ec93ded0b82d [0,1,0,1,0,0|1,0,1]=4 2845 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,1,0,1,0,0|0,0,2]=4 2846 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,1,0,1,0,0|0,0,2]=4 2847 B8R1.8 OCCN1CC=CC1 d8348ec800744cd0d63d462c0c3539da [0,1,0,1,0,0|1,0,1]=4 2848 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,1,0,1,0,0|0,0,0]=2 2849 B8R1.8 OCNC1CC=CC1 9c22df50844f066c11f1cd68877452aa [0,1,0,1,0,0|1,0,1]=4 2850 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,1,0,1,0,0|1,0,0]=3 2851 B8R1.8 OCNC1CCOC1 2fc8497bfce18cddcd2256e4a71178b1 [0,1,0,1,0,0|0,1,0]=3 2852 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,1,0,1,0,0|0,0,0]=2 2853 B8R1.8 OCN[C@@H]1CCOC1 6debdc226aca736be6aa7594d0bc0c90 [0,1,0,1,0,0|0,1,0]=3 2854 B8R1.8 OCN[C@H]1CCOC1 30751a1a06fdde461d2f17b22a6d40ea [0,1,0,1,0,0|0,1,0]=3 2855 B8R1.8 SCCN1CCSC1 f1d337fb2e1392cc6e55ab3e453d1142 [0,1,0,1,0,0|0,1,0]=3 2856 B8R1.9 CC1CC1COCF 0efb070ccdbaf1808a5f5a5c1bb3e217 [0,1,0,1,0,0|1,1,0]=4 2857 B8R1.9 CC1CC1NCCF 57d7955f9979d26743bea83a1db70e87 [0,1,0,1,0,0|2,0,0]=4 2858 B8R1.9 CC1CC1NCCO 4cde00481925a0824f1034e8ce0d4ec3 [0,1,0,1,0,0|1,0,0]=3 2859 B8R1.9 CC1CC1NCCS 0657ee02a4d9bc437769337d347aaeb2 [0,1,0,1,0,0|1,1,0]=4 2860 B8R1.9 CCCNC1CC1C 0a698bf1fb13624ef2e48e54bc092aff [0,1,0,1,0,0|2,0,0]=4 2861 B8R1.9 CCCN[C@@H]1C[C@H]1F 07aa43c95c9d08f0ae29dc5e4bcc3889 [0,1,0,1,0,0|2,0,0]=4 2862 B8R1.9 CCCN[C@H]1C[C@@H]1F 55532eeca14849d15f8451fb735a56a4 [0,1,0,1,0,0|2,0,0]=4 2863 B8R1.9 CCCN[C@H]1C[C@H]1F 945c58902ae8fb488078f3a1433cf7d9 [0,1,0,1,0,0|2,0,0]=4 2864 B8R1.9 CCOCC1CC1C a1ad259ec9fec6cbcfa8781679544c1d [0,1,0,1,0,0|1,1,0]=4 2865 B8R1.9 CCOC[C@@H]1C[C@@H]1C 4ce6bf2d2de734fe8f28315de3f63974 [0,1,0,1,0,0|1,1,0]=4 2866 B8R1.9 CCOC[C@@H]1C[C@@H]1F db758449eba7d2e7e36821e031da9137 [0,1,0,1,0,0|1,1,0]=4 2867 B8R1.9 CCOC[C@@H]1C[C@H]1C f1e8faba0bc503df2acdbd86da05c1cd [0,1,0,1,0,0|1,1,0]=4 2868 B8R1.9 CCOC[C@@H]1C[C@H]1F a4da9189be2096295421277fd4558e25 [0,1,0,1,0,0|1,1,0]=4 2869 B8R1.9 CCOC[C@H]1C[C@@H]1C d0e5d8760a155c6ca9b44bd743e35a53 [0,1,0,1,0,0|1,1,0]=4 2870 B8R1.9 CCOC[C@H]1C[C@@H]1F 5f54e7028448009590800dc65a5252c0 [0,1,0,1,0,0|1,1,0]=4 2871 B8R1.9 CCOC[C@H]1C[C@H]1F a0dc68094174f3a27ca99829c0ae9c07 [0,1,0,1,0,0|1,1,0]=4 2872 B8R1.9 COCNC1CC1C 1f5a0b6a67ea05da3e3d4fd88db9ba21 [0,1,0,1,0,0|1,1,0]=4 2873 B8R1.9 COCN[C@@H]1C[C@H]1F fcc54d8dd9f625e4fe8aef57c3b6046f [0,1,0,1,0,0|1,1,0]=4 2874 B8R1.9 COCN[C@H]1C[C@@H]1F 5874a7de4199405961288575ee08a9cb [0,1,0,1,0,0|1,1,0]=4 2875 B8R1.9 COCN[C@H]1C[C@H]1F 890ab8f0df5e3c7651e0402e3a13bcde [0,1,0,1,0,0|1,1,0]=4 2876 B8R1.9 CSCNC1CC1C e4fd3f89886322c39de9fa962cb3d0cb [0,1,0,1,0,0|1,0,0]=3 2877 B8R1.9 CSCN[C@@H]1C[C@H]1F 91b7b35ad04803309a91dafcb82ce8cb [0,1,0,1,0,0|1,0,0]=3 2878 B8R1.9 CSCN[C@H]1C[C@@H]1F df5673e2b6cdf29d2dc7fcc660d6debd [0,1,0,1,0,0|1,0,0]=3 2879 B8R1.9 CSCN[C@H]1C[C@H]1F 2aa88f56e487ff9ed3d9c7df5a721b8c [0,1,0,1,0,0|1,0,0]=3 2880 B8R1.9 C[C@@H]1C[C@H]1COCF 129ba0ab352aefcfce2349cccfe0fa1e [0,1,0,1,0,0|1,1,0]=4 2881 B8R1.9 C[C@H]1C[C@@H]1COCF 308b12cf24ad8c00d69839382d63f20d [0,1,0,1,0,0|1,1,0]=4 2882 B8R1.9 C[C@H]1C[C@H]1COCF 579e56ca8b8650dc1966dcbdfcaad8aa [0,1,0,1,0,0|1,1,0]=4 2883 B8R1.9 FCOC[C@@H]1C[C@@H]1F 0407ab6f991b7e94bfce6226aef678e5 [0,1,0,1,0,0|1,1,0]=4 2884 B8R1.9 FCOC[C@@H]1C[C@H]1F 2accbb7b1d0e5e80ffd0084e0e225306 [0,1,0,1,0,0|1,1,0]=4 2885 B8R1.9 FCOC[C@H]1C[C@@H]1F 4bafd5238b4b6a05d449cbbdd490887e [0,1,0,1,0,0|1,1,0]=4 2886 B8R1.9 FCOC[C@H]1C[C@H]1F e527e118b03d2c56169c72ad3cdde0fb [0,1,0,1,0,0|1,1,0]=4 2887 B8R1.9 OCCN[C@@H]1C[C@H]1F 1b75a1b15b85c71d1ae7189da4b08d35 [0,1,0,1,0,0|2,0,0]=4 2888 B8R1.9 OCCN[C@H]1C[C@@H]1F fff94f1987a2782cf968b7db00149a76 [0,1,0,1,0,0|2,0,0]=4 2889 B8R1.9 OCCN[C@H]1C[C@H]1F 706ee184d6680808da5b282894b8be7e [0,1,0,1,0,0|2,0,0]=4 2890 B8R1.10 BrCCNC1CCC1 40e6a4ec294e1a7c79a2d09d5945c1e7 [0,1,0,1,0,0|2,0,0]=4 2891 B8R1.10 BrCCNC1COC1 e819fa89fbdd7706f7137c2c1d4fb318 [0,1,0,1,0,0|1,1,0]=4 2892 B8R1.10 C#CCOC1CSC1 dff1b983e1987eecf3f1c8335d44b9db [0,1,0,1,0,0|1,0,1]=4 2893 B8R1.10 C=CCOC1CSC1 f9945720f7cf937be161007b8184ef93 [0,1,0,1,0,0|1,0,1]=4 2894 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,1,0,1,0,0|2,0,0]=4 2895 B8R1.10 CCCNC1CCC1 0d5b8030ddd2a1e07521f601d888db58 [0,1,0,1,0,0|2,0,0]=4 2896 B8R1.10 CCCNC1COC1 921f8c35ddc25c301dc3c1bb5c0fe6b6 [0,1,0,1,0,0|1,1,0]=4 2897 B8R1.10 CCCOC1CCC1 56704029ca064ce456cbec81788df6b2 [0,1,0,1,0,0|2,0,0]=4 2898 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [0,1,0,1,0,0|1,1,0]=4 2899 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [0,1,0,1,0,0|1,0,0]=3 2900 B8R1.10 CCNCC1CCC1 51789aa8cde681373936f52aa711708a [0,1,0,1,0,0|2,0,0]=4 2901 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,1,0,1,0,0|1,0,0]=3 2902 B8R1.10 CCNCC1COC1 c663ad802a406e195607fd1aba5b3023 [0,1,0,1,0,0|1,1,0]=4 2903 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,1,0,1,0,0|1,0,0]=3 2904 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,1,0,1,0,0|1,0,0]=3 2905 B8R1.10 CCOCC1CCC1 d50b1f59edc7cd2c85ebc568d9e5d0da [0,1,0,1,0,0|1,1,0]=4 2906 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,1,0,1,0,0|0,1,0]=3 2907 B8R1.10 CCOCC1COC1 621a8da02f0fe0ab29cada8705175bfc [0,1,0,1,0,0|1,1,0]=4 2908 B8R1.10 CCOCC1CSC1 e23c247dcc48d2cce0b10a2474f2de8e [0,1,0,1,0,0|1,0,0]=3 2909 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,1,0,1,0,0|0,1,0]=3 2910 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,1,0,1,0,0|0,1,0]=3 2911 B8R1.10 COCCN1CCC1 e94ebefbab355261b351bf6278fb2861 [0,1,0,1,0,0|1,1,0]=4 2912 B8R1.10 COCNC1CCC1 117c4caa9cf90143b3e779bab3a43ebb [0,1,0,1,0,0|1,1,0]=4 2913 B8R1.10 COCNC1COC1 d1b8f3d05f54447b7a16ecdb39023e03 [0,1,0,1,0,0|1,1,0]=4 2914 B8R1.10 COCOC1CCC1 815d450af25718aa938c6c87b5efb59c [0,1,0,1,0,0|1,1,0]=4 2915 B8R1.10 COCOC1COC1 dca1577aca787c788198a19e21821fd0 [0,1,0,1,0,0|1,1,0]=4 2916 B8R1.10 COCOC1CSC1 3a7023cfcbeb3915a31ea625c2263553 [0,1,0,1,0,0|1,0,0]=3 2917 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,1,0,1,0,0|1,0,0]=3 2918 B8R1.10 CSCNC1CCC1 c72115a2c84945505d84748916218b75 [0,1,0,1,0,0|1,0,0]=3 2919 B8R1.10 CSCNC1COC1 11a5c4a214a3b9569eae8602545a91f2 [0,1,0,1,0,0|1,0,0]=3 2920 B8R1.10 CSCOC1CCC1 9e9206e1e63ba2bb085e78defc972ddf [0,1,0,1,0,0|1,0,0]=3 2921 B8R1.10 CSCOC1COC1 bad826ea3fce66d58dedf86028baf9c9 [0,1,0,1,0,0|1,0,0]=3 2922 B8R1.10 CSCOC1CSC1 ba54f3d1f51182eabdc1c4c807c54025 [0,1,0,1,0,0|1,1,0]=4 2923 B8R1.10 FCCCN1CCC1 ce9883ed98348c3043ca281e3aae0921 [0,1,0,1,0,0|2,0,0]=4 2924 B8R1.10 FCCNC1CCC1 6c50c71efa524262d161e2ffe19ec3cd [0,1,0,1,0,0|2,0,0]=4 2925 B8R1.10 FCCNC1COC1 6499ce7b9c8a53e086a39250474eb9ea [0,1,0,1,0,0|1,1,0]=4 2926 B8R1.10 FCCOC1CCC1 75a2bd44685d508f7ff51a0a88fb2201 [0,1,0,1,0,0|2,0,0]=4 2927 B8R1.10 FCCOC1COC1 995b392a63523384b4aa63fcc36fa91b [0,1,0,1,0,0|1,1,0]=4 2928 B8R1.10 FCCOC1CSC1 123c343bbb74be4a63e52d10d794a076 [0,1,0,1,0,0|1,0,0]=3 2929 B8R1.10 FCNCC1CCC1 c3544a1b5d74b5435fdba66fb0047311 [0,1,0,1,0,0|2,0,0]=4 2930 B8R1.10 FCNCC1CCO1 8a7b70390361153407991f19d28b8f0e [0,1,0,1,0,0|1,0,0]=3 2931 B8R1.10 FCNCC1COC1 95dc87725ef844a8c90cf7154f94dae0 [0,1,0,1,0,0|1,1,0]=4 2932 B8R1.10 FCNC[C@@H]1CCO1 1f782474e7be23704762359160df4f7b [0,1,0,1,0,0|1,0,0]=3 2933 B8R1.10 FCNC[C@H]1CCO1 28bf090b6360c4605c078dd8002cbc9f [0,1,0,1,0,0|1,0,0]=3 2934 B8R1.10 FCOCC1CCC1 84fe76da6760c3f505ffe7ca74fa4c75 [0,1,0,1,0,0|1,1,0]=4 2935 B8R1.10 FCOCC1CCO1 c27fe081bf2dfc17ce2bf4e621c4fc43 [0,1,0,1,0,0|0,1,0]=3 2936 B8R1.10 FCOCC1COC1 d7303fc56fcc822ca8d65f66a31d16ec [0,1,0,1,0,0|1,1,0]=4 2937 B8R1.10 FCOCC1CSC1 78bf129cdaf664ee3dd13bd310751f7d [0,1,0,1,0,0|1,0,0]=3 2938 B8R1.10 FCOC[C@@H]1CCO1 fcfe2cd8646a0e463eaddec5bfa63be3 [0,1,0,1,0,0|0,1,0]=3 2939 B8R1.10 FCOC[C@H]1CCO1 94e16fdf17b70d6847760c0547fca05b [0,1,0,1,0,0|0,1,0]=3 2940 B8R1.10 ICCNC1CCC1 5d0888592d88c5c69c12e0ffd001bfa9 [0,1,0,1,0,0|2,0,0]=4 2941 B8R1.10 ICCNC1COC1 5daf1005f9c8b9ad6358fe1f3d036c33 [0,1,0,1,0,0|1,1,0]=4 2942 B8R1.10 N#CCOC1CSC1 bb1a80cc9ad418be8555da6c1fde635b [0,1,0,1,0,0|1,0,1]=4 2943 B8R1.10 N#CNCC1CCO1 6b467d126f125aa1ccebe2b591938a2c [0,1,0,1,0,0|1,0,1]=4 2944 B8R1.10 N#CNC[C@@H]1CCO1 8d6704fbf4736601c486f694f74cc8f3 [0,1,0,1,0,0|1,0,1]=4 2945 B8R1.10 N#CNC[C@H]1CCO1 433809d80be1409d24ea20cb2bc92ba0 [0,1,0,1,0,0|1,0,1]=4 2946 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,1,0,1,0,0|0,0,2]=4 2947 B8R1.10 O=CNCC1CCO1 1b9d337743db60b895698b8aaa786ab4 [0,1,0,1,0,0|1,0,1]=4 2948 B8R1.10 O=CNC[C@@H]1CCO1 fadf694024bd0fc6277f2beb85e4b394 [0,1,0,1,0,0|1,0,1]=4 2949 B8R1.10 O=CNC[C@H]1CCO1 26d38116a4b219b0d68fd14a2b690dd1 [0,1,0,1,0,0|1,0,1]=4 2950 B8R1.10 OCCCN1CCC1 9c6f6bdabd0b2602126e7a24b406e0df [0,1,0,1,0,0|1,0,0]=3 2951 B8R1.10 OCCNC1CCC1 5fc98dae4c4d961193ac3b840bca29d5 [0,1,0,1,0,0|1,0,0]=3 2952 B8R1.10 OCCNC1COC1 25b9e126063b76a062533df6c23b3bac [0,1,0,1,0,0|0,1,0]=3 2953 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,1,0,1,0,0|1,0,0]=3 2954 B8R1.10 OCNCC1CCO1 7a110527d20698bde50f934bce3d4932 [0,1,0,1,0,0|1,0,0]=3 2955 B8R1.10 OCNCC1COC1 b6ea0579e38e73b8e62c548d46a16ff0 [0,1,0,1,0,0|0,1,0]=3 2956 B8R1.10 OCNC[C@@H]1CCO1 b20041b30672ace5c27bbb9dda06cfc8 [0,1,0,1,0,0|1,0,0]=3 2957 B8R1.10 OCNC[C@H]1CCO1 fcef914adea36da0d3a6586531fd1531 [0,1,0,1,0,0|1,0,0]=3 2958 B8R1.10 SCCCN1CCC1 9eb969adee9e410d06ebfdbf71b456b3 [0,1,0,1,0,0|1,1,0]=4 2959 B8R1.10 SCCNC1CCC1 2f562baf7d7b93979ca67ee9013e4780 [0,1,0,1,0,0|1,1,0]=4 2960 B8R1.10 SCCNC1COC1 9d55a8d5ae9bcd777f3c119a345d9f60 [0,1,0,1,0,0|0,2,0]=4 2961 B8R1.10 SCCOC1CCC1 1482898a71989edc1d995899e2c14489 [0,1,0,1,0,0|1,1,0]=4 2962 B8R1.10 SCCOC1COC1 8049da4b9b89f43d801afa2183455262 [0,1,0,1,0,0|0,2,0]=4 2963 B8R1.10 SCCOC1CSC1 7d5c0251f0ddff991dd09bbf90450b75 [0,1,0,1,0,0|0,1,0]=3 2964 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,1,0,1,0,0|2,0,0]=4 2965 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,1,0,1,0,0|1,0,0]=3 2966 B8R1.11 CC1SCCN1CF 1a8381f1c2fe5a108b794e80a5ee4e38 [0,1,0,1,0,0|2,0,0]=4 2967 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,1,0,1,0,0|1,0,0]=3 2968 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,1,0,1,0,0|2,0,0]=4 2969 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,1,0,1,0,0|1,0,0]=3 2970 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,1,0,1,0,0|2,0,0]=4 2971 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,1,0,1,0,0|2,0,0]=4 2972 B8R1.11 CCN1CCSC1C 6a56b5c1b50abad68d5899af3448227e [0,1,0,1,0,0|2,0,0]=4 2973 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,1,0,1,0,0|2,0,0]=4 2974 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,1,0,1,0,0|1,0,0]=3 2975 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,1,0,1,0,0|2,0,0]=4 2976 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,1,0,1,0,0|1,0,0]=3 2977 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,1,0,1,0,0|1,0,1]=4 2978 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,1,0,1,0,0|1,0,0]=3 2979 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,1,0,1,0,0|1,0,0]=3 2980 B8R1.12 CCC1CCN1CC 821fbbe29ed1b9d1547efa94187e7e9f [0,1,0,1,0,0|2,0,0]=4 2981 B8R1.12 CCC1CCN1CF 2af23cf7c66aae8dbbf135025a194011 [0,1,0,1,0,0|2,0,0]=4 2982 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,1,0,1,0,0|1,0,0]=3 2983 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,1,0,1,0,0|1,0,0]=3 2984 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,1,0,1,0,0|1,0,0]=3 2985 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,1,0,1,0,0|1,0,0]=3 2986 B8R1.12 O=CN1CCC1CO edd971460a08454ceeb6be017da9f618 [0,1,0,1,0,0|1,0,1]=4 2987 B8R1.12 O=CN1CC[C@@H]1CO ce19f0bce3454d05cb7c121458132ef7 [0,1,0,1,0,0|1,0,1]=4 2988 B8R1.12 O=CN1CC[C@H]1CO e22630134adf9d5eaa8ff5bdd2c4924a [0,1,0,1,0,0|1,0,1]=4 2989 B8R1.12 OCC1CCN1CF 54c9da261877e12e7953220dc99ac886 [0,1,0,1,0,0|1,0,0]=3 2990 B8R1.12 OCC1CCN1CO 6f5999e2d6210a45899e16922fbbca8c [0,1,0,1,0,0|1,0,0]=3 2991 B8R1.12 OC[C@@H]1CCN1CF 3ace3005e70dcc5f7c624bd2ca1ff323 [0,1,0,1,0,0|1,0,0]=3 2992 B8R1.12 OC[C@@H]1CCN1CO a558872b42b196932e71111ad2bff9a1 [0,1,0,1,0,0|1,0,0]=3 2993 B8R1.12 OC[C@H]1CCN1CF ad8d3d64cf5f70e33b7fd74857a35e0d [0,1,0,1,0,0|1,0,0]=3 2994 B8R1.12 OC[C@H]1CCN1CO 340168ce4e6427066968812c13eb91da [0,1,0,1,0,0|1,0,0]=3 2995 B8R1.13 CC1OCC1NCO 9cfb96188a625e9112cbf03494a5058b [0,1,0,1,0,0|1,1,0]=4 2996 B8R1.13 CCNC1CCC1F 1ca365aa3a03dba2f96f4cadc68f780e [0,1,0,1,0,0|2,0,0]=4 2997 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,1,0,1,0,0|1,0,0]=3 2998 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,1,0,1,0,0|1,0,0]=3 2999 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,1,0,1,0,0|2,0,0]=4 3000 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,1,0,1,0,0|1,0,0]=3 3001 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,1,0,1,0,0|1,0,0]=3 3002 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,1,0,1,0,0|2,0,0]=4 3003 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,1,0,1,0,0|1,0,0]=3 3004 B8R1.13 C[C@@H]1CC[C@@H]1NCF 6b38eed80c01be6c9debc46a3a554bff [0,1,0,1,0,0|2,0,0]=4 3005 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,1,0,1,0,0|1,0,0]=3 3006 B8R1.13 C[C@@H]1CC[C@H]1NCF 942b8307f34c60e7d4ef1a19714a9740 [0,1,0,1,0,0|2,0,0]=4 3007 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,1,0,1,0,0|1,0,0]=3 3008 B8R1.13 FCNC1CCC1F 6dda86fa729780fa1cd722137107e926 [0,1,0,1,0,0|2,0,0]=4 3009 B8R1.13 O=CNC1CCC1O 77e73a0cb4e5ad431641f250066379fd [0,1,0,1,0,0|1,0,1]=4 3010 B8R1.13 O=CN[C@@H]1CC[C@@H]1O 9be330af07ef7a68a61722f62097919e [0,1,0,1,0,0|1,0,1]=4 3011 B8R1.13 O=CN[C@@H]1CC[C@H]1O a74500781f0881ab291899b8727dffc0 [0,1,0,1,0,0|1,0,1]=4 3012 B8R1.13 O=CN[C@H]1CC[C@@H]1O f6c564b97b260290e49358d20aaec1a0 [0,1,0,1,0,0|1,0,1]=4 3013 B8R1.13 O=CN[C@H]1CC[C@H]1O 126bd3309ad6ca2ddfb41ff376dce6e2 [0,1,0,1,0,0|1,0,1]=4 3014 B8R1.13 OC1CCC1NCF b320b59951a819bfc693c51a37952e97 [0,1,0,1,0,0|1,0,0]=3 3015 B8R1.13 OCNC1CCC1F ac2d6566e7c5b3bc373e327a47cf999c [0,1,0,1,0,0|2,0,0]=4 3016 B8R1.13 OCNC1CCC1O ee3d1ca48a3a8027104c31b638f55ef5 [0,1,0,1,0,0|1,0,0]=3 3017 B8R1.13 OCN[C@@H]1CC[C@@H]1O fc73bae007c62d0d044e9a1d9eb62eb2 [0,1,0,1,0,0|1,0,0]=3 3018 B8R1.13 OCN[C@@H]1CC[C@H]1O 06327c2896ffa6f771953b4ac9aab6b0 [0,1,0,1,0,0|1,0,0]=3 3019 B8R1.13 OCN[C@H]1CC[C@@H]1O 7e11d05646534378fc00e5b3d5382683 [0,1,0,1,0,0|1,0,0]=3 3020 B8R1.13 OCN[C@H]1CC[C@H]1O 6cb11bc302f667e46ffb6e15bc1b294f [0,1,0,1,0,0|1,0,0]=3 3021 B8R1.13 O[C@@H]1CC[C@@H]1NCF 437862ba8a6df6499db07eb305b6d757 [0,1,0,1,0,0|1,0,0]=3 3022 B8R1.13 O[C@@H]1CC[C@H]1NCF 83e31482881d268ada4c36f4b73cc8bb [0,1,0,1,0,0|1,0,0]=3 3023 B8R1.13 O[C@H]1CC[C@@H]1NCF 32b667547a5ff1b6f8a6aeb3abe14559 [0,1,0,1,0,0|1,0,0]=3 3024 B8R1.13 O[C@H]1CC[C@H]1NCF 29979674e8e1b6655ef0cde04d2ff86e [0,1,0,1,0,0|1,0,0]=3 3025 B8R1.17 CCN[C@@H]1C[C@@H]1OC ad259a5443520644deb60f8f52443384 [0,1,0,1,0,0|1,1,0]=4 3026 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,1,0,1,0,0|1,0,0]=3 3027 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,1,0,1,0,0|1,0,0]=3 3028 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,1,0,1,0,0|1,0,0]=3 3029 B8R1.17 CO[C@H]1C[C@H]1NCF 5d8618613244998f37dba317bf50caf5 [0,1,0,1,0,0|1,1,0]=4 3030 B8R1.17 CO[C@H]1C[C@H]1NCO 7ddd592a3e45b01591ca640a2662c329 [0,1,0,1,0,0|0,1,0]=3 3031 B8R1.17 O=CN[C@@H]1C[C@H]1CO 10a8417564f04103fe2c352e0df4f7b1 [0,1,0,1,0,0|1,0,1]=4 3032 B8R1.17 O=CN[C@H]1C[C@@H]1CO fcec26220579a84c0c9bdf6d03f8b348 [0,1,0,1,0,0|1,0,1]=4 3033 B8R1.17 O=CN[C@H]1C[C@H]1CO ea8cc98580a13b71ee31b79f516fe4f2 [0,1,0,1,0,0|1,0,1]=4 3034 B8R1.17 OCN[C@@H]1C[C@H]1CO dfd1f2f4720fb386f808224509a99e79 [0,1,0,1,0,0|1,0,0]=3 3035 B8R1.17 OCN[C@H]1C[C@@H]1CO b4600a15b77b7b63fe0eb5951c7ac675 [0,1,0,1,0,0|1,0,0]=3 3036 B8R1.17 OCN[C@H]1C[C@H]1CO f5d2f40975aadac98e3309989c876b60 [0,1,0,1,0,0|1,0,0]=3 3037 B8R1.17 OC[C@@H]1C[C@@H]1NCF 71b7419e2d0069d2259b2cbda31d9782 [0,1,0,1,0,0|1,0,0]=3 3038 B8R1.17 OC[C@@H]1C[C@H]1NCF 5322e39e84824b63d0219ad41257c201 [0,1,0,1,0,0|1,0,0]=3 3039 B8R1.17 OC[C@H]1C[C@@H]1NCF b78b807e5ee5859e1e9b98795078a748 [0,1,0,1,0,0|1,0,0]=3 3040 B8R1.36 BrCCNCC1CC1 c331883059e548cf448209226b9934fc [0,1,0,1,0,0|2,0,0]=4 3041 B8R1.36 CCCCNC1CC1 764bf1f8d84e4797d549516a157f8bac [0,1,0,1,0,0|2,0,0]=4 3042 B8R1.36 CCCCOC1CC1 b14c6fcb6c68d146170e866704fcb560 [0,1,0,1,0,0|2,0,0]=4 3043 B8R1.36 CCCNCC1CC1 f3b3545bffc9f73f028676bee3a097f9 [0,1,0,1,0,0|2,0,0]=4 3044 B8R1.36 CCCOCC1CC1 97e988fcebd27b4b9691b615e5b007d8 [0,1,0,1,0,0|2,0,0]=4 3045 B8R1.36 CCNCCC1CC1 c403e5d19efa9bd3bd9474a55fa91f77 [0,1,0,1,0,0|2,0,0]=4 3046 B8R1.36 CCOCCC1CC1 fc916bef9b2390c47f74a3ae85c46af3 [0,1,0,1,0,0|1,1,0]=4 3047 B8R1.36 COCCNC1CC1 c729e1cfce019cc13b46a8e9bfa7aec8 [0,1,0,1,0,0|1,1,0]=4 3048 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [0,1,0,1,0,0|1,1,0]=4 3049 B8R1.36 COCNCC1CC1 1be685a94e635adec61892268334adf0 [0,1,0,1,0,0|1,1,0]=4 3050 B8R1.36 COCOCC1CC1 f15c6edec1bc27e0534666e04c14e6be [0,1,0,1,0,0|1,1,0]=4 3051 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,1,0,1,0,0|1,0,0]=3 3052 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,1,0,1,0,0|1,0,0]=3 3053 B8R1.36 CSCNCC1CC1 e820dcd23892d88756ec200e8c7e2a66 [0,1,0,1,0,0|1,0,0]=3 3054 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [0,1,0,1,0,0|1,0,0]=3 3055 B8R1.36 ClCCCNC1CC1 fcdebdf08b4bbef8702139d487bccf3c [0,1,0,1,0,0|2,0,0]=4 3056 B8R1.36 FCCCNC1CC1 4329b3a22c74fcf1c83456d06be8011d [0,1,0,1,0,0|2,0,0]=4 3057 B8R1.36 FCCCOC1CC1 bb339c263ecd231d95ac2857b20ce9e1 [0,1,0,1,0,0|2,0,0]=4 3058 B8R1.36 FCCNCC1CC1 1888b06dced729cdb9c58bb39d973ecb [0,1,0,1,0,0|2,0,0]=4 3059 B8R1.36 FCCOCC1CC1 49eef687c32d9587000ea915a92c8879 [0,1,0,1,0,0|2,0,0]=4 3060 B8R1.36 FCNCCC1CC1 25ac1c91045f2fe5fb430e80f7912798 [0,1,0,1,0,0|2,0,0]=4 3061 B8R1.36 FCOCCC1CC1 05e4af345a0e47e30a799f36a5de9ee5 [0,1,0,1,0,0|1,1,0]=4 3062 B8R1.36 ICCNCC1CC1 aa781e34336a301ce6c4ab090308fa1f [0,1,0,1,0,0|2,0,0]=4 3063 B8R1.36 NOCCNC1CC1 9f8c2a121e0873d0e9dfff394ed4332a [0,1,0,1,0,0|2,0,0]=4 3064 B8R1.36 OCCCNC1CC1 09931d07909b5768c57fdc7cacffbc09 [0,1,0,1,0,0|1,0,0]=3 3065 B8R1.36 OCCNCC1CC1 e183fb3059537384ed4e22fe2e99ba8b [0,1,0,1,0,0|1,0,0]=3 3066 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,1,0,1,0,0|1,0,0]=3 3067 B8R1.36 OCNCCN1CC1 1e079d207f2aca4c808ddaac4239bf20 [0,1,0,1,0,0|2,0,0]=4 3068 B8R1.36 SCCCNC1CC1 ac16d26ee266b0421f9c1ad8179c0c06 [0,1,0,1,0,0|1,1,0]=4 3069 B8R1.36 SCCCOC1CC1 1939a9925ba22e18c2a17bb309b3e238 [0,1,0,1,0,0|1,1,0]=4 3070 B8R1.36 SCCNCC1CC1 5c0dd7dc74392e335e49dbe45b5c2923 [0,1,0,1,0,0|1,1,0]=4 3071 B8R1.36 SCCOCC1CC1 c7570effdfd289e3b528303f8e11797c [0,1,0,1,0,0|1,1,0]=4 3072 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [0,1,0,1,0,0|2,0,0]=4 3073 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,1,0,1,0,0|2,0,0]=4 3074 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,1,0,1,0,0|2,0,0]=4 3075 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,1,0,1,0,0|2,0,0]=4 3076 B8R1.1 CN1CCN(C1)CO 1a670e93a6e39360242dd3f33d05954a [0,1,0,1,0,0|2,0,0]=4 3077 B8R1.1 OCN1CCC(C1)F 4e1b0e865f35d9e88a723b21d468b144 [0,1,0,1,0,0|2,0,0]=4 3078 B8R1.1 OCN1CCC(C1)O 9bea44962414eb08c5c787d7845d9e4f [0,1,0,1,0,0|2,0,0]=4 3079 B8R1.1 OCN1CC[C@@H](C1)F 1b91c1daf3e9830d74760f5595516c6e [0,1,0,1,0,0|2,0,0]=4 3080 B8R1.1 OCN1CC[C@@H](C1)O 8cff2485084eb573b880545a5c7bb462 [0,1,0,1,0,0|2,0,0]=4 3081 B8R1.1 OCN1CC[C@H](C1)F e8d697abd953f38d763a1d8e7bf0a21d [0,1,0,1,0,0|2,0,0]=4 3082 B8R1.1 OCN1CC[C@H](C1)O 9a83745859226945baeca6641c8f0bfc [0,1,0,1,0,0|2,0,0]=4 3083 B8R1.38 CC(CO)N1CCC1 17406c9203d8e72d48f6ddab3efe5d12 [0,1,0,1,0,0|2,0,0]=4 3084 B8R1.38 CN(CO)C1CCC1 a870c0945f9b171d7c0b452eacea3131 [0,1,0,1,0,0|2,0,0]=4 3085 B8R1.38 CN(CO)C1COC1 1207e6612a2fb924727d09a78daa6d9c [0,1,0,1,0,0|1,1,0]=4 3086 B8R1.38 C[C@@H](CO)N1CCC1 a5183cd4689b71df517e19607edfa1f6 [0,1,0,1,0,0|2,0,0]=4 3087 B8R1.38 C[C@H](CO)N1CCC1 1eed403494a16ee2f239b1a58a50fdd6 [0,1,0,1,0,0|2,0,0]=4 3088 B8R1.40 CC(CO)NC1CC1 f6311cf67b6ba2204bab0dbb44a50bbc [0,1,0,1,0,0|2,0,0]=4 3089 B8R1.40 CN(CO)CC1CC1 72ad48a4f4008a698952e2e0f78177c8 [0,1,0,1,0,0|2,0,0]=4 3090 B8R1.40 C[C@@H](CO)NC1CC1 7e427586366729fe4f61e71114561a17 [0,1,0,1,0,0|2,0,0]=4 3091 B8R1.40 C[C@H](CO)NC1CC1 3cceec23b2cf4de9d69e8ea47c15666a [0,1,0,1,0,0|2,0,0]=4 3092 B8R1.41 CC1(CC1)NCCO 89f12072d3eaefb89baf0608eaf9d663 [0,1,0,1,0,0|2,0,0]=4 3093 B8R1.41 CSCNC1(CC1)C 73964c4d48b81bad084406dd5bcb923e [0,1,0,1,0,0|2,0,0]=4 3094 B8R1.41 OCNCC1(CC1)F 048baf79bc47d86f1d6e519b935e1d56 [0,1,0,1,0,0|2,0,0]=4 3095 B8R1.41 OCNCC1(CC1)O 2c45e982eaef97c122bf698e531212fd [0,1,0,1,0,0|2,0,0]=4 3096 B8R1.47 CCC1CN(C1)CO d209c6d733d5ef3743b0a26aae8f6e91 [0,1,0,1,0,0|2,0,0]=4 3097 B8R1.47 CCN1CC(C1)CO 56dc2e706ae8aa4ebe5fced484d83567 [0,1,0,1,0,0|2,0,0]=4 3098 B8R1.47 CCN1CC(C1)SC 8746f03668c7e744efe9613af29b4486 [0,1,0,1,0,0|2,0,0]=4 3099 B8R1.47 COC1CN(C1)CO a261377afd43c09341c2b7ee0e15aaa6 [0,1,0,1,0,0|1,1,0]=4 3100 B8R1.47 CSC1CN(C1)CF 3808995cd42a6875ed2d66d523d22694 [0,1,0,1,0,0|2,0,0]=4 3101 B8R1.47 CSC1CN(C1)CO b0c032e9b228ef64abf41d3555db6ca0 [0,1,0,1,0,0|1,0,0]=3 3102 B8R1.6 CCCN1CC(C1)O 6960d1c76fc6bee2104d2cc7da6d53cb [0,1,0,1,0,0|2,0,0]=4 3103 B8R1.6 CCNC1CC(C1)O ff109cf0f4e20ca9c93dd5c4ca790b90 [0,1,0,1,0,0|2,0,0]=4 3104 B8R1.6 CCN[C@H]1C[C@@H](C1)O ff7552bab4d1f2f4dc4f733d9dc54eaf [0,1,0,1,0,0|2,0,0]=4 3105 B8R1.6 CCN[C@H]1C[C@H](C1)O 951190e7ba8081e7d4167c17721dec43 [0,1,0,1,0,0|2,0,0]=4 3106 B8R1.6 CN1CC(C1)NCO e4df2a5982bee6ffb05b7b96bd153ed7 [0,1,0,1,0,0|2,0,0]=4 3107 B8R1.6 COCN1CC(C1)O 870d483689386ea7b8d72faa86d0b820 [0,1,0,1,0,0|1,1,0]=4 3108 B8R1.6 CSCN1CC(C1)F b043fd0ffd5d2de919a889b45a0538d3 [0,1,0,1,0,0|2,0,0]=4 3109 B8R1.6 CSCN1CC(C1)O 34910bc94db571d51ff7a8f74ad40fc5 [0,1,0,1,0,0|1,0,0]=3 3110 B8R1.6 OCCN1CC(C1)F d55063a3076749ca64ae7b6aacb275a7 [0,1,0,1,0,0|2,0,0]=4 3111 B8R1.6 OCCN1CC(C1)O 7988eb128069a838027fb79c231cc8f2 [0,1,0,1,0,0|2,0,0]=4 3112 B8R1.6 OCNC1CC(C1)F 470e62eaf21394df95355d7552f9f047 [0,1,0,1,0,0|2,0,0]=4 3113 B8R1.6 OCNC1CC(C1)O af58669ac51974a0a52e4df9402bf0e6 [0,1,0,1,0,0|2,0,0]=4 3114 B8R1.6 OCN[C@H]1C[C@@H](C1)F 1bfbadf9cfe5afdbb89938692be668d4 [0,1,0,1,0,0|2,0,0]=4 3115 B8R1.6 OCN[C@H]1C[C@@H](C1)O ee70df5d495ddbd6db837e3b423935f9 [0,1,0,1,0,0|2,0,0]=4 3116 B8R1.6 OCN[C@H]1C[C@H](C1)F fc646e17ee6ac80291aeec736d711d7a [0,1,0,1,0,0|2,0,0]=4 3117 B8R1.6 OCN[C@H]1C[C@H](C1)O 09c3bfb886303c215965bdd8bd917305 [0,1,0,1,0,0|2,0,0]=4 3118 B8R1.7 CC(C)N1CCSC1 cebe0382fd0e631f0755ac4b0a7eacba [0,1,0,1,0,0|2,0,0]=4 3119 B8R1.27 CC1(CC1NCO)C cb0b6f24609ddb35c244d59af169b5f2 [0,1,0,1,0,0|2,0,0]=4 3120 B8R1.27 CC1(CN1CCO)C 617d1ee8716018a9f67b571bc1788b25 [0,1,0,1,0,0|2,0,0]=4 3121 B8R1.27 CC1(C[C@@H]1NCO)C 8776160ae447ba4a0be869eb874c121e [0,1,0,1,0,0|2,0,0]=4 3122 B8R1.27 CC1(C[C@H]1NCO)C b1cd2ba6f353b0856ac6e67d6b285e85 [0,1,0,1,0,0|2,0,0]=4 3123 B8R1.27 CSCN1CC1(C)C 57f03b2466c1e0327e92c39a36035676 [0,1,0,1,0,0|2,0,0]=4 3124 B8R1.34 CC(C)OC1CSC1 0f80c8ae8ac6e64e127bfe2c23fbf2f7 [0,1,0,1,0,0|2,0,0]=4 3125 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [0,1,0,1,0,0|2,0,0]=4 3126 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [0,1,0,1,0,0|2,0,0]=4 3127 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [0,1,0,1,0,0|2,0,0]=4 3128 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,1,0,1,0,0|2,0,0]=4 3129 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,1,0,1,0,0|2,0,0]=4 3130 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,1,0,1,0,0|2,0,0]=4 3131 B8R1.16 CC1CC(N1CO)C 0d2cc050f7f7306033a09e6f9a4e942c [0,1,0,1,0,0|2,0,0]=4 3132 B8R1.16 C[C@@H]1C[C@@H](N1CO)C 18f7bbadc01c95286f3cf39c2fbf1570 [0,1,0,1,0,0|2,0,0]=4 3133 B8R1.16 C[C@@H]1C[C@H](N1CO)C 41ebbbcfbee3186005b95ab10e69c145 [0,1,0,1,0,0|2,0,0]=4 3134 B8R1.16 C[C@H]1C[C@@H](N1CO)C 2e0ec9fe5aa6c39451de63c0534f47eb [0,1,0,1,0,0|2,0,0]=4 3135 B8R1.37 CN(CCO)C1CC1 80457e02321af0fbdb8d8ff6f9046346 [0,1,0,1,0,0|2,0,0]=4 3136 B8R1.37 CSCN(C)C1CC1 4f2494c6a82611f9a13be950f026ca56 [0,1,0,1,0,0|2,0,0]=4 3137 B8R1.37 C[C@@H](NCO)C1CC1 a8252d7ff28f78efa26a1275681d8891 [0,1,0,1,0,0|2,0,0]=4 3138 B8R1.37 C[C@H](NCO)C1CC1 e2c3fe94ce0d8db741d7237664f9e7a1 [0,1,0,1,0,0|2,0,0]=4 3139 B8R1.66 CC1(CCC1)NCO d06b99ffd2f6c88e44c2e041543a74af [0,1,0,1,0,0|2,0,0]=4 3140 B8R1.66 CC1(COC1)NCO c969d42bea7dc0e9fa1c7171e42295e5 [0,1,0,1,0,0|1,1,0]=4 3141 B8R1.66 CC1(CSC1)NCF 9b37c0bc656a81ab69013e15ebb87030 [0,1,0,1,0,0|2,0,0]=4 3142 B8R1.66 CC1(CSC1)NCO 84a355a0116092d1ea980595b5e12001 [0,1,0,1,0,0|1,0,0]=3 3143 B8R1.66 CCNC1(CSC1)C a5c8dc1699d0f809c2f86f5627b96af0 [0,1,0,1,0,0|2,0,0]=4