0 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C#CCNCCO 124dd796c248fbe494ff9cd7edce009d [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,0,0,0,0|1,0,3]=4 13 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.6 CC#CCNCO 34948e879985eaf79856b03117770558 [0,0,0,0,0,0|1,0,3]=4 15 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [0,0,0,0,0,0|1,0,2]=3 18 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,0,0,0,0,0|1,0,2]=3 23 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,0,0,0,0|1,0,3]=4 27 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,0,0,0,0|1,1,1]=3 33 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,0,0,0,0|2,0,2]=4 36 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,0,0,0,0|1,0,3]=4 37 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,0,0,0,0|2,0,1]=3 38 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,0,0,0,0|1,1,1]=3 40 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,0,0,0,0,0|1,0,1]=2 45 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,0,0,0,0|1,0,3]=4 50 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,0,0,0,0,0|2,0,1]=3 51 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,0,0,0,0,0|1,1,1]=3 52 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,0,0,0,0|3,0,1]=4 54 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [0,0,0,0,0,0|2,0,2]=4 55 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,0,0,0,0,0|3,0,1]=4 58 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,0,0,0,0,0|2,0,1]=3 59 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,0,0,0,0,0|2,1,1]=4 60 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,0,0,0,0,0|3,0,1]=4 61 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,0,0,0,0,0|2,1,1]=4 62 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,0,0,0,0,0|2,0,2]=4 63 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,0,0,0,0,0|3,0,1]=4 64 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,0,0,0,0,0|3,0,1]=4 66 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,0,0,0,0,0|2,0,1]=3 67 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,0,0,0,0,0|2,1,1]=4 68 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,0,0,0,0,0|2,1,1]=4 70 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.6 FCCNCCBr c0dd83437a27180e7ee1639145895f8f [0,0,0,0,0,0|3,0,1]=4 72 B6R0.6 FCCNCCF 6bada8e319adf5ac09144c46a4ecaa71 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.6 FCCNCCI 6f97b887bfc0689337515f90a40660b8 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [0,0,0,0,0,0|2,1,1]=4 75 B6R0.6 FCCOCCF 834b8c77ba6896712d1d6af7c59dbfbc [0,0,0,0,0,0|3,0,1]=4 76 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [0,0,0,0,0,0|2,1,1]=4 77 B6R0.6 FCNCCCCl 44349a2e6a1b6f1dc0f8b9fd71ed7936 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [0,0,0,0,0,0|2,1,1]=4 79 B6R0.6 N#CCNCCO 02ac8da78bc91b463ae8a1a8af800d30 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.6 N#CNCCCO 25dc7b5f5ac7b192bc9c580017fb28a4 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,0,0,0,0|2,0,2]=4 83 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [0,0,0,0,0,0|2,0,1]=3 84 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [0,0,0,0,0,0|2,0,1]=3 86 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [0,0,0,0,0,0|2,0,1]=3 87 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [0,0,0,0,0,0|2,0,1]=3 88 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [0,0,0,0,0,0|2,0,1]=3 89 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [0,0,0,0,0,0|2,0,1]=3 90 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [0,0,0,0,0,0|2,0,2]=4 91 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [0,0,0,0,0,0|2,1,1]=4 92 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [0,0,0,0,0,0|2,1,1]=4 93 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [0,0,0,0,0,0|2,1,1]=4 94 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [0,0,0,0,0,0|2,1,1]=4 95 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|2,0,1]=4 96 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|3,0,0]=4 98 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|1,0,1]=3 102 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|2,0,1]=4 104 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|1,0,0]=2 108 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|1,1,0]=3 109 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|1,1,0]=3 112 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,0,0,0,0,0|3,0,0]=4 114 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,0,0,0,0,0|3,0,0]=4 117 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,0,0,0,0,0|2,1,0]=4 118 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,0,0,0,0,0|2,1,0]=4 119 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|3,0,0]=4 121 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|3,0,0]=4 122 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|2,0,0]=3 124 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|2,1,0]=4 125 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,0,0,0,0,0|2,0,0]=3 127 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.1 C#CCCCNCC 992d0e050b511d203d57e0da48d3e40a [0,1,0,0,0,0|2,0,1]=4 132 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.1 C#CCCNCCC 985891a1be5b6df9332ec92fc8ba9705 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.1 C#CCCNCCO 3bc2f77fd57a27fb406b56574c907f90 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.1 C#CCCOCCC eee2aa39c598bd16cdd3ed61f37ff696 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.1 C#CCNCCCO 34019e78f76c1559b140c0ea5596ecd8 [0,1,0,0,0,0|1,0,2]=4 137 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,0,0,0,0|1,0,2]=4 138 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,1,0,0,0,0|1,0,2]=4 140 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,1,0,0,0,0|0,0,2]=3 144 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,1,0,0,0,0|0,1,2]=4 145 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,1,0,0,0,0|0,1,2]=4 148 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,1,0,0,0,0|1,0,2]=4 149 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,1,0,0,0,0|1,0,2]=4 152 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,1,0,0,0,0|0,0,2]=3 154 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,1,0,0,0,0|0,1,2]=4 155 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,1,0,0,0,0|1,0,2]=4 157 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,1,0,0,0,0|0,1,2]=4 158 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,1,0,0,0,0|1,0,2]=4 159 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,0,0,0,0|2,0,1]=4 161 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,0,0,0,0|2,0,1]=4 164 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,0,0,0,0|1,0,2]=4 165 B7R0.1 CC#CCNCCO 2843afe4d746cf0fa7225c6f04363618 [0,1,0,0,0,0|0,0,3]=4 166 B7R0.1 CC/C=C/CNC#N f23fe182dd452d354a78f38e4f70e513 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [0,1,0,0,0,0|1,0,0]=2 169 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,1,0,0,0,0|1,0,0]=2 170 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [0,1,0,0,0,0|1,0,0]=2 171 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,1,0,0,0,0|1,0,2]=4 173 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,1,0,0,0,0|0,0,2]=3 174 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,1,0,0,0,0|0,1,2]=4 175 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,1,0,0,0,0|1,0,2]=4 178 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,1,0,0,0,0|0,1,2]=4 179 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.1 CCC#CCOCC 2380cee045d437f419c16dee1b838b64 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.1 CCC#CCOCF 6df71f2cb6d7ef4d5014d348e265b820 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,0,0,0,0|0,0,2]=3 185 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,0,0,0,0|1,0,2]=4 187 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [0,1,0,0,0,0|1,0,2]=4 190 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [0,1,0,0,0,0|0,0,2]=3 192 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [0,1,0,0,0,0|0,1,2]=4 193 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,0,0,0,0|1,0,2]=4 194 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,0,0,0,0|1,0,2]=4 196 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [0,1,0,0,0,0|1,0,2]=4 197 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [0,1,0,0,0,0|0,1,2]=4 198 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,0,0,0,0|1,0,2]=4 199 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.1 CCCNCCC#N e1599a2501e5939a529641f13b21e273 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,0,0,0,0|1,0,2]=4 203 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,0,0,0,0|1,0,2]=4 204 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,0,0,0,0|1,0,2]=4 205 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,0,0,0,0|0,0,2]=3 206 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,0,0,0,0|0,1,2]=4 207 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,0,0,0,0|1,0,1]=3 208 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [0,1,0,0,0,0|1,0,1]=3 209 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,0,0,0,0|1,1,1]=4 210 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.1 CCCOCCC#N 91c533a2e6a7807a614f40e6691a9c4f [0,1,0,0,0,0|2,0,1]=4 212 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,0,0,0,0|0,1,2]=4 215 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,0,0,0,0|1,0,1]=3 216 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,0,0,0,0|1,1,1]=4 217 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,1,0,0,0,0|2,0,1]=4 218 B7R0.1 CCNCC#CCO 2a230a707d45398877d952a6edd37a82 [0,1,0,0,0,0|0,0,3]=4 219 B7R0.1 CCNCCCC#N 3005d7a991c7154c0fa03cc1d0341956 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [0,1,0,0,0,0|1,0,2]=4 221 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [0,1,0,0,0,0|0,0,2]=3 222 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [0,1,0,0,0,0|0,1,2]=4 223 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,0,0,0,0|1,0,1]=3 224 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,1,0,0,0,0|1,1,1]=4 225 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,1,0,0,0,0|2,0,1]=4 228 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [0,1,0,0,0,0|2,0,1]=4 229 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,0,0,0,0|1,0,2]=4 230 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [0,1,0,0,0,0|1,0,2]=4 231 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [0,1,0,0,0,0|0,1,2]=4 232 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,0,0,0,0|1,0,1]=3 233 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,0,0,0,0|1,1,1]=4 234 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [0,1,0,0,0,0|1,0,1]=3 236 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [0,1,0,0,0,0|2,0,1]=4 237 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,1,0,0,0,0|2,0,1]=4 239 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [0,1,0,0,0,0|2,0,1]=4 240 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [0,1,0,0,0,0|2,0,1]=4 242 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [0,1,0,0,0,0|1,0,1]=3 243 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [0,1,0,0,0,0|1,1,1]=4 244 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [0,1,0,0,0,0|1,1,1]=4 245 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,1,0,0,0,0|2,0,1]=4 246 B7R0.1 CCSCCNCF 1cb006aeda44e1ad18efcb0d926eca75 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.1 CCSCCNCO d46776a8ac8e806badbf181dbecaf11f [0,1,0,0,0,0|1,0,1]=3 248 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [0,1,0,0,0,0|2,0,1]=4 249 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,1,0,0,0,0|2,0,1]=4 250 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,1,0,0,0,0|1,0,2]=4 251 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [0,1,0,0,0,0|2,0,1]=4 253 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [0,1,0,0,0,0|2,0,1]=4 255 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [0,1,0,0,0,0|1,0,1]=3 256 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [0,1,0,0,0,0|1,1,1]=4 257 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,1,0,0,0,0|2,0,1]=4 258 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [0,1,0,0,0,0|1,1,1]=4 261 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,1,0,0,0,0|2,0,1]=4 264 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,1,0,0,0,0|1,0,1]=3 265 B7R0.1 COCNCCON e818b1642f9d5633402b5da4d1790fea [0,1,0,0,0,0|2,0,1]=4 266 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,0,0,0,0|2,0,1]=4 267 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,0,0,0,0|1,1,1]=4 268 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,1,0,0,0,0|1,0,2]=4 269 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,1,0,0,0,0|2,0,1]=4 270 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,1,0,0,0,0|1,1,1]=4 274 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,0,0,0,0|1,1,1]=4 276 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,1,0,0,0,0|2,0,1]=4 277 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,1,0,0,0,0|1,0,1]=3 278 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,1,0,0,0,0|2,0,1]=4 279 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,1,0,0,0,0|2,0,1]=4 280 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,1,0,0,0,0|1,1,1]=4 281 B7R0.1 FCCCNCCBr 91600bc23ccdce017338e995a8c500e3 [0,1,0,0,0,0|2,0,1]=4 282 B7R0.1 FCCCNCCF 4d3919857ed95a42257c5d4363064175 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.1 FCCCNCCI 1b37e2336b8934153a10fbca0dcac08a [0,1,0,0,0,0|2,0,1]=4 284 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [0,1,0,0,0,0|1,1,1]=4 285 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [0,1,0,0,0,0|1,1,1]=4 287 B7R0.1 FCCNCCCCl 66a40627c901d99d34adccc931cea448 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [0,1,0,0,0,0|1,1,1]=4 289 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [0,1,0,0,0,0|1,1,1]=4 290 B7R0.1 N#CCCNCCO 1637f5afa2121e3ef5b132c03408ea0f [0,1,0,0,0,0|1,0,2]=4 291 B7R0.1 N#CCNCCCO 096b3fdf56b864457e81281fda450e8d [0,1,0,0,0,0|1,0,2]=4 292 B7R0.1 NOCCNCCF 9155179455f286a04fa8d7e0b1373ae4 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.1 NOCCNCCO 316ac866d29370b4f25aba7013bd8afb [0,1,0,0,0,0|2,0,1]=4 294 B7R0.1 NOCCNCCS 36a77034ae90d4309a8810f6f29ee88c [0,1,0,0,0,0|2,0,1]=4 295 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,1,0,0,0,0|1,0,2]=4 296 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,0,0,0,0|1,0,2]=4 298 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,0,0,0,0|1,0,2]=4 299 B7R0.1 OCC#CCNCO 38cf5d81a397c328b8b6b8c290d3dc06 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.1 OCCCCNCF 7e26da81cb202e81f9fa6935013ff164 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.1 OCCCCNCO 3308a62177334006d69e4e812a481bb1 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.1 OCCCNCCBr 298f76d93b4a56118785c24aabe36d03 [0,1,0,0,0,0|1,0,1]=3 303 B7R0.1 OCCCNCCF 160ffea2dd40155e84c24124da4d3bb5 [0,1,0,0,0,0|1,0,1]=3 304 B7R0.1 OCCCNCCI b0caa3b33126ba633de191e5b27be25d [0,1,0,0,0,0|1,0,1]=3 305 B7R0.1 OCCCNCCO b7e543e706324c7668084e51d2ac83f2 [0,1,0,0,0,0|1,0,1]=3 306 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [0,1,0,0,0,0|1,0,1]=3 307 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.1 OCCNCCCCl 10a4c88cfa54a10eeb2391e86b7e00e5 [0,1,0,0,0,0|1,0,1]=3 310 B7R0.1 OCCNCCCF 91fb92031bfde2e9db842bc4e4a8eee4 [0,1,0,0,0,0|1,0,1]=3 311 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [0,1,0,0,0,0|1,0,1]=3 312 B7R0.1 OCNCCCCCl ca8e2c827cdc1f4b61ee0f17daccc9f0 [0,1,0,0,0,0|1,0,2]=4 313 B7R0.1 OCNCCCCS 703d007b8ef355c907943572af1839f8 [0,1,0,0,0,0|1,0,2]=4 314 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [0,1,0,0,0,0|1,1,1]=4 315 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [0,1,0,0,0,0|1,1,1]=4 316 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [0,1,0,0,0,0|1,1,1]=4 317 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [0,1,0,0,0,0|1,1,1]=4 318 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [0,1,0,0,0,0|1,1,1]=4 319 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,1,0,0,0,0|2,0,1]=4 321 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|1,0,2]=4 322 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,1,0,0,0,0|2,0,1]=4 323 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,1,0,0,0,0|2,0,1]=4 324 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,1,0,0,0,0|2,0,1]=4 329 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,0,0,0,0|2,0,1]=4 330 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|2,0,0]=3 332 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|2,0,0]=3 333 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|1,0,0]=2 335 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|1,1,0]=3 336 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,1,0,0,0,0|1,0,2]=4 337 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,1,0,0,0,0|2,0,1]=4 339 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,1,0,0,0,0|1,0,1]=3 341 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,1,0,0,0,0|1,1,1]=4 342 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,1,0,0,0,0|2,0,1]=4 343 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,1,0,0,0,0|1,1,1]=4 344 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,1,0,0,0,0|1,0,2]=4 347 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|3,0,0]=4 349 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|1,0,2]=4 350 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,1,0,0,0,0|1,0,1]=3 353 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,1,0,0,0,0|1,0,1]=3 355 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,1,0,0,0,0|1,0,1]=3 357 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|2,0,1]=4 358 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,0,0,0,0|2,0,1]=4 359 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,0,0,0,0|1,1,1]=4 360 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|2,0,1]=4 361 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,0,0,0,0|1,1,1]=4 363 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,1,0,0,0,0|1,0,1]=3 365 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,1,0,0,0,0|1,1,1]=4 366 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,1,0,0,0,0|2,0,1]=4 367 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,1,0,0,0,0|1,0,1]=3 369 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,1,0,0,0,0|1,0,1]=3 370 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,1,0,0,0,0|1,0,1]=3 372 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,0,0,0,0|2,0,1]=4 373 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,1,0,0,0,0|1,0,1]=3 374 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,1,0,0,0,0|1,0,1]=3 375 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,1,0,0,0,0|1,0,1]=3 376 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,1,0,0,0,0|1,0,1]=3 377 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,1,0,0,0,0|1,0,1]=3 379 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,0,0,0,0|2,0,1]=4 380 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,1,0,0,0,0|2,0,1]=4 381 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,0,0,0,0|2,0,1]=4 382 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,1,0,0,0,0|1,1,1]=4 384 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,0,0,0,0|2,0,1]=4 385 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,1,0,0,0,0|2,0,1]=4 387 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,1,0,0,0,0|1,0,1]=3 388 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,1,0,0,0,0|1,1,1]=4 389 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,1,0,0,0,0|1,1,1]=4 391 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,1,0,0,0,0|1,0,2]=4 392 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,1,0,0,0,0|1,0,2]=4 393 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,1,0,0,0,0|1,0,1]=3 395 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,1,0,0,0,0|1,1,1]=4 396 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,1,0,0,0,0|1,1,1]=4 398 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,1,0,0,0,0|2,0,1]=4 399 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,0,0,0,0|2,0,1]=4 401 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,1,0,0,0,0|2,0,1]=4 405 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,1,0,0,0,0|2,0,1]=4 407 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,1,0,0,0,0|2,0,1]=4 409 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,1,0,0,0,0|2,0,1]=4 410 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,1,0,0,0,0|2,0,1]=4 411 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,1,0,0,0,0|2,0,1]=4 412 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,1,0,0,0,0|2,0,1]=4 414 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,1,0,0,0,0|2,0,1]=4 415 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,1,0,0,0,0|2,0,1]=4 416 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,1,0,0,0,0|2,0,1]=4 417 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|3,0,0]=4 421 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|3,0,0]=4 423 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|2,0,0]=3 424 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|2,1,0]=4 425 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|3,0,0]=4 426 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|3,0,0]=4 427 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|3,0,0]=4 428 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|2,1,0]=4 430 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|3,0,0]=4 431 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|3,0,0]=4 432 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|3,0,0]=4 433 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|2,0,0]=3 434 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|2,1,0]=4 435 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,1,0,0,0,0|2,0,1]=4 439 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,1,0,0,0,0|2,0,1]=4 441 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,1,0,0,0,0|2,0,1]=4 442 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,1,0,0,0,0|2,0,1]=4 443 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,1,0,0,0,0|2,0,1]=4 445 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,1,0,0,0,0|2,0,1]=4 446 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,1,0,0,0,0|2,0,1]=4 447 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,0,0,0,0|1,0,2]=4 449 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,1,0,0,0,0|1,0,2]=4 450 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|1,0,2]=4 451 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,0,0,0,0|1,0,2]=4 452 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,1,0,0,0,0|1,0,2]=4 453 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [0,1,0,0,0,0|2,0,1]=4 455 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [0,1,0,0,0,0|2,0,1]=4 456 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,1,0,0,0,0|1,0,1]=3 457 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [0,1,0,0,0,0|1,1,1]=4 458 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,1,0,0,0,0|2,0,1]=4 459 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,1,0,0,0,0|1,1,1]=4 460 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [0,1,0,0,0,0|2,0,1]=4 461 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,1,0,0,0,0|1,0,1]=3 462 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,1,0,0,0,0|2,0,1]=4 463 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,1,0,0,0,0|1,1,1]=4 464 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,1,0,0,0,0|1,1,1]=4 466 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,1,0,0,0,0|2,0,1]=4 467 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,1,0,0,0,0|1,0,2]=4 468 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,1,0,0,0,0|1,0,1]=3 472 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,1,0,0,0,0|1,1,1]=4 473 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,1,0,0,0,0|1,1,1]=4 475 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,1,0,0,0,0|2,0,1]=4 477 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|1,0,2]=4 478 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|1,0,1]=3 480 B7R0.4 CCCNCC(F)F 9022d4eca4bc1cbf6bdda2f9bb9ad264 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|1,0,1]=3 482 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|1,0,1]=3 483 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|1,0,2]=4 484 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,0,0,0,0|2,0,1]=4 485 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,0,0,0,0|2,0,1]=4 486 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,0,0,0,0|1,1,1]=4 487 B7R0.4 CCCOCC(F)F 74563999b35ef7496664c1330d891527 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,0,0,0,0|2,0,1]=4 490 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|1,0,2]=4 492 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,1,0,0,0,0|2,0,1]=4 493 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,0,0,0,0|1,0,1]=3 494 B7R0.4 CCNCCC(F)F 1930d2e5ffecbff29d9e715320f3d9d1 [0,1,0,0,0,0|2,0,1]=4 495 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|2,0,1]=4 496 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,0,0,0,0|1,0,1]=3 497 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,0,0,0,0|1,0,1]=3 498 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|1,0,2]=4 499 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,1,0,0,0,0|2,0,1]=4 503 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,0,0,0,0|2,0,1]=4 506 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,0,0,0,0|2,0,1]=4 508 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,1,0,0,0,0|2,0,1]=4 509 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,1,0,0,0,0|1,1,1]=4 510 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,1,0,0,0,0|2,0,1]=4 511 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,1,0,0,0,0|1,0,2]=4 512 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,1,0,0,0,0|2,0,1]=4 513 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,1,0,0,0,0|2,0,1]=4 514 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,1,0,0,0,0|2,0,1]=4 515 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,1,0,0,0,0|1,0,1]=3 516 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,1,0,0,0,0|1,1,1]=4 517 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,1,0,0,0,0|2,0,1]=4 518 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,1,0,0,0,0|1,1,1]=4 519 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,1,0,0,0,0|2,0,1]=4 520 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,1,0,0,0,0|1,0,2]=4 521 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,1,0,0,0,0|2,0,1]=4 522 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,1,0,0,0,0|2,0,1]=4 523 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,1,0,0,0,0|2,0,1]=4 524 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,1,0,0,0,0|1,0,1]=3 525 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,1,0,0,0,0|1,1,1]=4 526 B7R0.4 OCCNCC(F)F 024302a0340b34702e94d843b11797e0 [0,1,0,0,0,0|2,0,1]=4 527 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,1,0,0,0,0|2,0,1]=4 528 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,1,0,0,0,0|2,0,1]=4 529 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,1,0,0,0,0|2,0,1]=4 531 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,0,0,0,0|2,0,1]=4 532 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|1,0,2]=4 533 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,0,0,0,0|2,0,1]=4 534 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,0,0,0,0|2,0,1]=4 535 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,1,0,0,0,0|2,0,1]=4 536 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,1,0,0,0,0|1,0,1]=3 537 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,1,0,0,0,0|1,1,1]=4 538 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,0,0,0,0|2,0,1]=4 539 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,0,0,0,0|2,0,1]=4 540 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|1,0,2]=4 541 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,1,0,0,0,0|1,0,1]=3 543 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,1,0,0,0,0|1,0,1]=3 544 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,1,0,0,0,0|1,0,1]=3 545 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,1,0,0,0,0|2,0,1]=4 546 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,1,0,0,0,0|2,0,1]=4 547 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,1,0,0,0,0|2,0,1]=4 548 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,1,0,0,0,0|2,0,1]=4 549 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,0,0,0,0|2,0,1]=4 550 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,1,0,0,0,0|2,0,1]=4 552 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,1,0,0,0,0|2,0,1]=4 553 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,1,0,0,0,0|2,0,1]=4 554 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,1,0,0,0,0|2,0,1]=4 555 B7R1.1 OCN1CC=CC1 7ff6422db20fb244739472dbcdc32e4d [0,0,0,1,0,0|1,0,2]=4 556 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,0,0,1,0,0|2,0,1]=4 557 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,0,0,1,0,0|1,0,2]=4 558 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,0,0,1,0,0|2,0,1]=4 559 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,0,0,1,0,0|2,0,1]=4 560 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,0,0,1,0,0|2,0,1]=4 561 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,0,0,1,0,0|2,0,1]=4 562 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,0,1,0,0|2,0,1]=4 563 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,0,0,1,0,0|2,0,1]=4 564 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,0,0,1,0,0|2,0,1]=4 565 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [0,0,0,1,0,0|2,0,1]=4 566 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,0,0,1,0,0|1,0,1]=3 567 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,0,0,1,0,0|1,0,2]=4 568 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [0,0,0,1,0,0|1,1,1]=4 569 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [0,0,0,1,0,0|2,0,1]=4 570 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,0,0,1,0,0|2,0,1]=4 571 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,0,0,1,0,0|2,0,1]=4 572 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [0,0,0,1,0,0|2,0,1]=4 573 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,0,0,1,0,0|2,0,1]=4 574 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [0,0,0,1,0,0|2,0,1]=4 575 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,0,0,1,0,0|2,0,1]=4 576 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [0,0,0,1,0,0|2,0,1]=4 577 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,0,0,1,0,0|1,0,1]=3 578 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,0,0,1,0,0|1,0,2]=4 579 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [0,0,0,1,0,0|1,1,1]=4 580 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,0,0,1,0,0|1,1,1]=4 581 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [1,1,0,0,0,0|2,0,0]=4 584 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|1,0,1]=4 586 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|1,0,1]=4 587 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,1,0,0,0,0|2,0,0]=4 588 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,1,0,0,0,0|1,0,0]=3 589 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,1,0,0,0,0|1,1,0]=4 590 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,1,0,0,0,0|1,0,1]=4 591 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,1,0,0,0,0|1,0,0]=3 592 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,1,0,0,0,0|1,0,1]=4 593 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,1,0,0,0,0|1,0,0]=3 594 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,1,0,0,0,0|1,0,1]=4 597 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,1,0,0,0,0|1,1,0]=4 599 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,1,0,0,0,0|1,0,1]=4 600 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,1,0,0,0,0|1,1,0]=4 602 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [1,1,0,0,0,0|2,0,0]=4 605 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [1,1,0,0,0,0|2,0,0]=4 606 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [1,1,0,0,0,0|2,0,0]=4 607 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [1,1,0,0,0,0|2,0,0]=4 609 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [1,1,0,0,0,0|2,0,0]=4 610 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [1,1,0,0,0,0|2,0,0]=4 611 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [1,1,0,0,0,0|2,0,0]=4 612 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [1,1,0,0,0,0|2,0,0]=4 613 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|1,0,1]=4 614 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,0,1]=4 615 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|2,0,0]=4 616 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|2,0,0]=4 617 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|2,0,0]=4 618 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|1,0,0]=3 619 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|1,1,0]=4 620 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,1,0,0,0,0|1,0,1]=4 621 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,1,0,0,0,0|2,0,0]=4 622 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,1,0,0,0,0|2,0,0]=4 623 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,1,0,0,0,0|2,0,0]=4 624 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,1,0,0,0,0|1,0,0]=3 625 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,1,0,0,0,0|1,1,0]=4 626 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,1,0,0,0,0|2,0,0]=4 627 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,1,0,0,0,0|1,1,0]=4 628 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,1,0,0,0,0|2,0,0]=4 629 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,1,0,0,0,0|2,0,0]=4 630 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|1,0,1]=4 631 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|2,0,0]=4 632 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,1]=4 636 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|1,0,0]=3 637 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|1,0,0]=3 640 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,1]=4 641 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,0,1]=4 642 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|1,0,1]=4 643 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|1,0,1]=4 644 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 646 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|1,0,1]=4 647 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,1,0,0,0,0|2,0,0]=4 649 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,1,0,0,0,0|2,0,0]=4 650 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|1,0,1]=4 651 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,1,0,0,0,0|2,0,0]=4 652 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,1,0,0,0,0|2,0,0]=4 653 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|1,0,1]=4 654 B8R0.1 C#CCC(=O)NCCO 2552cbe45ed2acb76bf35f0ed2d399d1 [0,2,0,0,0,0|1,0,1]=4 655 B8R0.1 C#CCNC(=O)CCO 96fe99b94bbe3f359921b98b2650505f [0,2,0,0,0,0|1,0,1]=4 656 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,2,0,0,0,0|1,0,1]=4 657 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,2,0,0,0,0|1,0,1]=4 658 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,2,0,0,0,0|1,0,1]=4 659 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,2,0,0,0,0|1,0,1]=4 660 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,2,0,0,0,0|0,0,1]=3 661 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,2,0,0,0,0|0,1,1]=4 662 B8R0.1 C/C=C/CN(C)CCO 42c3b6faec9960c36a879d013004e77f [0,2,0,0,0,0|0,0,2]=4 663 B8R0.1 C/C=C\CN(C)CCO fb53deedd56c2eb2eab09a348d1b1a65 [0,2,0,0,0,0|0,0,2]=4 664 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.1 CC#CC(=O)NCCO f885362aa6b004ac92e1add94f791e9e [0,2,0,0,0,0|0,0,2]=4 666 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,2,0,0,0,0|1,0,1]=4 667 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,2,0,0,0,0|1,0,1]=4 668 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,2,0,0,0,0|1,0,1]=4 669 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,2,0,0,0,0|1,0,1]=4 670 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,2,0,0,0,0|1,0,1]=4 672 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,2,0,0,0,0|1,0,1]=4 673 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,2,0,0,0,0|1,0,1]=4 674 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,2,0,0,0,0|0,0,1]=3 675 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,2,0,0,0,0|0,1,1]=4 676 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,2,0,0,0,0|1,0,1]=4 677 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,2,0,0,0,0|0,1,1]=4 678 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,2,0,0,0,0|2,0,0]=4 680 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,2,0,0,0,0|0,0,2]=4 681 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,2,0,0,0,0|0,0,2]=4 682 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,2,0,0,0,0|0,0,2]=4 683 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,2,0,0,0,0|0,0,2]=4 684 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,2,0,0,0,0|0,0,2]=4 685 B8R0.1 CCCN(C)CCCO bcaba704baeaba819c24be99d4c792f1 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.1 CCCN(C)CCOC 3001c1572568a855669d478bf72bb14a [0,2,0,0,0,0|1,0,1]=4 687 B8R0.1 CCCN(C)CCON ddea99dfcac5cbaa7bc869b004f79f3a [0,2,0,0,0,0|1,0,1]=4 688 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,2,0,0,0,0|1,0,1]=4 690 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|0,0,1]=3 691 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,2,0,0,0,0|0,1,1]=4 692 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,2,0,0,0,0|2,0,0]=4 693 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,2,0,0,0,0|2,0,0]=4 694 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,2,0,0,0,0|0,0,2]=4 695 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,2,0,0,0,0|0,0,2]=4 697 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,2,0,0,0,0|1,0,1]=4 698 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,2,0,0,0,0|0,0,2]=4 699 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,2,0,0,0,0|1,0,1]=4 700 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,2,0,0,0,0|1,0,1]=4 701 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,2,0,0,0,0|1,0,1]=4 702 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,2,0,0,0,0|1,0,1]=4 703 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,2,0,0,0,0|0,0,2]=4 705 B8R0.1 CCNC(=O)CNCF 00b80b6827b81d8895e54234ac75d43c [0,2,0,0,0,0|2,0,0]=4 706 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [0,2,0,0,0,0|1,0,0]=3 707 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,2,0,0,0,0|2,0,0]=4 708 B8R0.1 CCNC(=O)COCF 07accf9dfadaaccc536f5c34a66ac1b1 [0,2,0,0,0,0|2,0,0]=4 709 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,2,0,0,0,0|0,0,2]=4 710 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,2,0,0,0,0|2,0,0]=4 711 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,2,0,0,0,0|0,0,2]=4 713 B8R0.1 CCNCC(O)COC f6b0536e22df73e563264ad1928c3a48 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.1 CCNC[C@H](O)COC 5c0728270cf850017ded59cb547c9167 [0,2,0,0,0,0|1,0,1]=4 715 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,2,0,0,0,0|0,0,2]=4 716 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,2,0,0,0,0|2,0,0]=4 717 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,2,0,0,0,0|1,0,0]=3 718 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,2,0,0,0,0|2,0,0]=4 719 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,2,0,0,0,0|1,0,1]=4 720 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,2,0,0,0,0|1,0,1]=4 721 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,2,0,0,0,0|2,0,0]=4 722 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,2,0,0,0,0|1,0,1]=4 723 B8R0.1 CN(CCF)CCCO 405cb1812406dc732acbd5ca2bf8d85c [0,2,0,0,0,0|1,0,1]=4 724 B8R0.1 CN(CCO)CCCF 65d67af691e399f2e636a5d6ace9b963 [0,2,0,0,0,0|1,0,1]=4 725 B8R0.1 CN(CCO)CCCO 36d713c03dc08766341246f14e07bda2 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.1 CN(CCO)CCCS cd935c5917603f4566a0a99c54ed3ddc [0,2,0,0,0,0|1,0,1]=4 727 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,2,0,0,0,0|1,0,1]=4 728 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,2,0,0,0,0|2,0,0]=4 729 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,2,0,0,0,0|2,0,0]=4 730 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,2,0,0,0,0|2,0,0]=4 731 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,2,0,0,0,0|1,0,0]=3 732 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,2,0,0,0,0|1,1,0]=4 733 B8R0.1 COCC(C)NCCO 50121ba26215b782d2891c1068ffac80 [0,2,0,0,0,0|1,0,1]=4 734 B8R0.1 COCCN(C)CCO 26130ceb4ad7565e446b20c581648752 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,2,0,0,0,0|1,0,1]=4 736 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,2,0,0,0,0|1,0,1]=4 737 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,2,0,0,0,0|1,0,1]=4 738 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,2,0,0,0,0|1,0,1]=4 739 B8R0.1 COC[C@@H](C)NCCO b9e85493d099197a11d2edf7d0650981 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.1 COC[C@H](C)NCCO d2e33cba22598bc0a84da0258db0aed7 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,2,0,0,0,0|2,0,0]=4 742 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,2,0,0,0,0|2,0,0]=4 744 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,2,0,0,0,0|1,0,0]=3 745 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,2,0,0,0,0|1,1,0]=4 746 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,2,0,0,0,0|1,0,1]=4 747 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,2,0,0,0,0|1,0,1]=4 748 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,2,0,0,0,0|1,0,1]=4 749 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,2,0,0,0,0|1,0,1]=4 750 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,2,0,0,0,0|1,0,1]=4 751 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,2,0,0,0,0|1,0,1]=4 752 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,2,0,0,0,0|1,0,1]=4 753 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,2,0,0,0,0|1,0,1]=4 754 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,2,0,0,0,0|1,0,1]=4 755 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,2,0,0,0,0|1,0,1]=4 756 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,2,0,0,0,0|1,0,1]=4 757 B8R0.1 N#CCC(=O)NCCO ebc737fc9565f0412dd7bc9620fd665d [0,2,0,0,0,0|1,0,1]=4 758 B8R0.1 N#CCNC(=O)CCO 4cb7ec4d29a04c5392c09b8643634927 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,2,0,0,0,0|2,0,0]=4 760 B8R0.1 O=C(/C=C/Br)NCCO 15955bec919debc233bf7c09714ca77c [0,2,0,0,0,0|1,0,1]=4 761 B8R0.1 O=C(/C=C/Cl)NCCO 746b019c1c312969fcfe4a4bd4cb4579 [0,2,0,0,0,0|1,0,1]=4 762 B8R0.1 O=C(/C=C/I)NCCO 142d9c49f9cc0e32e1fed19b995ab396 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.1 O=C(/C=C\Br)NCCO 1cab061b560f2876dbc372e6b44f9dce [0,2,0,0,0,0|1,0,1]=4 764 B8R0.1 O=C(/C=C\Cl)NCCO e1a128dd2917c20378b32e2a2ac6ef54 [0,2,0,0,0,0|1,0,1]=4 765 B8R0.1 O=C(/C=C\I)NCCO e6d4f50c53c480216a0d51f020c453d8 [0,2,0,0,0,0|1,0,1]=4 766 B8R0.1 O=C(C=CBr)NCCO 324fdbd6ef48f65c1473aa11dc2da9e6 [0,2,0,0,0,0|1,0,1]=4 767 B8R0.1 O=C(C=CI)NCCO 0bb4b2d1883c2de82b09efb252a154f7 [0,2,0,0,0,0|1,0,1]=4 768 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,2,0,0,0,0|2,0,0]=4 769 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,2,0,0,0,0|1,1,0]=4 773 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,2,0,0,0,0|1,0,0]=3 774 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,2,0,0,0,0|1,0,0]=3 776 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,2,0,0,0,0|1,0,0]=3 778 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,2,0,0,0,0|1,1,0]=4 779 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,2,0,0,0,0|1,1,0]=4 780 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,2,0,0,0,0|1,1,0]=4 781 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,2,0,0,0,0|1,1,0]=4 783 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,2,0,0,0,0|1,0,1]=4 784 B8R0.4 C#CCCCNCCO 749d8851342805764acc32afca683de9 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.4 C#CCCNCCCO 74bbabadd82ed586e64e71b666d35898 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.4 C#CCNC/C=C/CC 39df58767baf3afa772434ec9faffe76 [0,2,0,0,0,0|1,0,0]=3 787 B8R0.4 C#CCOC/C=C/CC 752a2e489daedd119549118eaee08738 [0,2,0,0,0,0|1,0,0]=3 788 B8R0.4 C#CCOC/C=C\CC 6f0fabfcf344804e4bf66fe21c15bf06 [0,2,0,0,0,0|1,0,0]=3 789 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [0,2,0,0,0,0|0,0,2]=4 790 B8R0.4 C/C=C/C=C/COCF 02510bc1e5437b525e5ca68e059cfda2 [0,2,0,0,0,0|0,0,2]=4 791 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,2,0,0,0,0|0,0,2]=4 792 B8R0.4 C/C=C/CCCOCF a981fceddad0dcf6ee5e0f278ed16a4d [0,2,0,0,0,0|0,0,2]=4 793 B8R0.4 C/C=C/CCOCOC 59f8f29dcf4eaa8fa9da1c5f14e4e383 [0,2,0,0,0,0|0,0,2]=4 794 B8R0.4 C/C=C/CNCCCO 534dbd3a195f77398c2b81facabd6eef [0,2,0,0,0,0|0,0,2]=4 795 B8R0.4 C/C=C/CNCCOC 3082ab6e9ace7c63c6f0a5148107963d [0,2,0,0,0,0|0,0,2]=4 796 B8R0.4 C/C=C/CNCCON 79737eab41f3bc36cd4a5b8364278811 [0,2,0,0,0,0|0,0,2]=4 797 B8R0.4 C/C=C/COCCOC 785eaeded120e80d80ee7e223c0ae30a [0,2,0,0,0,0|0,0,2]=4 798 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,2,0,0,0,0|0,0,2]=4 799 B8R0.4 C/C=C\CCCOCF 4eb5a6e68f7b187a36b2e84cab9ffcd8 [0,2,0,0,0,0|0,0,2]=4 800 B8R0.4 C/C=C\CNCCCO 2311985bdb3a9584f5d9b65cd3aa0d3e [0,2,0,0,0,0|0,0,2]=4 801 B8R0.4 C/C=C\CNCCOC 3292568499715e9b97935e8cc4ef79f5 [0,2,0,0,0,0|0,0,2]=4 802 B8R0.4 C/C=C\CNCCON 4fa0dc470c681851fa457e5a616dfedc [0,2,0,0,0,0|0,0,2]=4 803 B8R0.4 C/C=C\COCCOC 46e2d312cf2f14a6c2819161b290e14d [0,2,0,0,0,0|0,0,2]=4 804 B8R0.4 C=C/C=C/CCNCO cc62028f0291dc61382b8a1bf0b8ba53 [0,2,0,0,0,0|0,0,2]=4 805 B8R0.4 C=CCCCNCCO 8a1b35dc4f0997056aa8d06819d9c2fe [0,2,0,0,0,0|1,0,1]=4 806 B8R0.4 C=CCCNCCCO fe03ee5320fba7694ee66066e81064aa [0,2,0,0,0,0|1,0,1]=4 807 B8R0.4 C=CCOC/C=C/CC 6db13fd1e466efc2bd73c5af74f902bb [0,2,0,0,0,0|1,0,0]=3 808 B8R0.4 C=CCOC/C=C\CC ee88c154ab21aaf2a136d142bf31ff78 [0,2,0,0,0,0|1,0,0]=3 809 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,2,0,0,0,0|1,0,1]=4 810 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,2,0,0,0,0|1,0,1]=4 812 B8R0.4 CC#CCNCCCO 8452183b079d4b534410007ad00acc65 [0,2,0,0,0,0|1,0,1]=4 813 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [0,2,0,0,0,0|0,0,0]=2 814 B8R0.4 CC/C=C/CCOCF 016afc62275da200b50eda51355efb67 [0,2,0,0,0,0|0,0,0]=2 815 B8R0.4 CC/C=C/CNCC#N f5e125ee3d2e18e576d6599acbaf1be7 [0,2,0,0,0,0|1,0,0]=3 816 B8R0.4 CC/C=C/CNCCBr 1efd764ee57dc65be1c0b16587baa891 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [0,2,0,0,0,0|1,0,0]=3 818 B8R0.4 CC/C=C/CNCCF 941667b58ffa216efb1af53e94ad7152 [0,2,0,0,0,0|1,0,0]=3 819 B8R0.4 CC/C=C/CNCCI 6d6706276d9cacecb7dbbca8ea7b453a [0,2,0,0,0,0|1,0,0]=3 820 B8R0.4 CC/C=C/CNCCO 141b854b7ea740721874c3a88dd89e50 [0,2,0,0,0,0|0,0,0]=2 821 B8R0.4 CC/C=C/CNCCS 45052a68f5bdd8de4365f76aaf1ba3d0 [0,2,0,0,0,0|0,1,0]=3 822 B8R0.4 CC/C=C/COCC#N 02b76d5228b9f970d7bd7fa26edc79dc [0,2,0,0,0,0|1,0,0]=3 823 B8R0.4 CC/C=C/COCC=O 397bbf00664315773de6e24f33c3ac9b [0,2,0,0,0,0|0,0,1]=3 824 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [0,2,0,0,0,0|1,0,0]=3 825 B8R0.4 CC/C=C/COCCF 2a8967892fd524c5820478ef10bcc725 [0,2,0,0,0,0|1,0,0]=3 826 B8R0.4 CC/C=C/COCCS d6ad362599078ed5bc582011934d083a [0,2,0,0,0,0|0,1,0]=3 827 B8R0.4 CC/C=C/COCOC 3dfee6432437086c29231f9b1b3a76a8 [0,2,0,0,0,0|0,0,0]=2 828 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,2,0,0,0,0|0,1,0]=3 829 B8R0.4 CC/C=C\CCNC#N 596ee05200d62a327088b392de8df1f0 [0,2,0,0,0,0|1,0,0]=3 830 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [0,2,0,0,0,0|0,0,0]=2 831 B8R0.4 CC/C=C\CCOCF b8616b8f54d30d73f96ef217eba31f2c [0,2,0,0,0,0|0,0,0]=2 832 B8R0.4 CC/C=C\COCC#N 470c51425997c74c551e30f33c442d75 [0,2,0,0,0,0|1,0,0]=3 833 B8R0.4 CC/C=C\COCC=O 59f6dd0fa4df871899af277da158060d [0,2,0,0,0,0|0,0,1]=3 834 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [0,2,0,0,0,0|1,0,0]=3 835 B8R0.4 CC/C=C\COCCF 2b38e120135402cc20ee9ae0b698961a [0,2,0,0,0,0|1,0,0]=3 836 B8R0.4 CC/C=C\COCCS 811a9bd602c4f49de9eadd9afc91808f [0,2,0,0,0,0|0,1,0]=3 837 B8R0.4 CC/C=C\COCOC 2a89ae2104c37be23e4faf0d1930f1ff [0,2,0,0,0,0|0,0,0]=2 838 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,2,0,0,0,0|0,1,0]=3 839 B8R0.4 CC=C=CCCOCC 6bee7d8955b0da11354efc3ae62c1cea [0,2,0,0,0,0|0,0,2]=4 840 B8R0.4 CC=C=CCCOCF 8b700da1c475bea70200edec8f2a3178 [0,2,0,0,0,0|0,0,2]=4 841 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [0,2,0,0,0,0|0,0,2]=4 842 B8R0.4 CC=CC=CCOCF 1aa20a7eea5c51200b32b92fc0ce88f4 [0,2,0,0,0,0|0,0,2]=4 843 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,2,0,0,0,0|0,0,2]=4 844 B8R0.4 CC=CCCCOCF 59b4e2ebe4d85f107158d06d4feb598f [0,2,0,0,0,0|0,0,2]=4 845 B8R0.4 CC=CCNCCCO 9f4f022594f73907b6faf2ecbf4f70ca [0,2,0,0,0,0|0,0,2]=4 846 B8R0.4 CC=CCNCCOC 474a7e08f93cfe69139646cbfcbe7d9d [0,2,0,0,0,0|0,0,2]=4 847 B8R0.4 CC=CCOCCOC 8cd561eb1f10485c2b1ba8f850cffd6a [0,2,0,0,0,0|0,0,2]=4 848 B8R0.4 CCC#CCCOCC 4cce7b24b6fbc922deb63899ac441019 [0,2,0,0,0,0|0,0,2]=4 849 B8R0.4 CCC#CCCOCF 185ff7ec678da9103566f33052eeb3fe [0,2,0,0,0,0|0,0,2]=4 850 B8R0.4 CCC#CCNCCO 342f8f12192ac298790b8242f1648c24 [0,2,0,0,0,0|0,0,2]=4 851 B8R0.4 CCC#CCOCOC bd0f991f06ad8ff7ce35aa473b8a6860 [0,2,0,0,0,0|0,0,2]=4 852 B8R0.4 CCC/C=C/CNC#N 3fc7b3ae1f610d46cdd36aa175edd26f [0,2,0,0,0,0|1,0,1]=4 853 B8R0.4 CCC/C=C/COCC 194c2fe9a034aa9429bf8b431746f7e5 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.4 CCC/C=C/COCF 363b3dafb0c99a41f008be5dc0bd0a1d [0,2,0,0,0,0|1,0,0]=3 855 B8R0.4 CCC/C=C\CNC#N 24b87857166cbb6e43d838ab8de7c996 [0,2,0,0,0,0|1,0,1]=4 856 B8R0.4 CCC/C=C\COCC 6a1508b69f1117002ddef7a5ce847c5e [0,2,0,0,0,0|1,0,0]=3 857 B8R0.4 CCC/C=C\COCF 32dee642d588426359eb4e546e1f4c84 [0,2,0,0,0,0|1,0,0]=3 858 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,2,0,0,0,0|0,0,2]=4 859 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,2,0,0,0,0|0,0,2]=4 860 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,2,0,0,0,0|0,0,2]=4 861 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [0,2,0,0,0,0|0,0,2]=4 862 B8R0.4 CCCCCNCOC 39758a02c0fddd5394c0093195bca6be [0,2,0,0,0,0|0,0,2]=4 863 B8R0.4 CCCCCOCOC b5b3100512c55f3430f83e20b695c569 [0,2,0,0,0,0|0,0,2]=4 864 B8R0.4 CCCCNCCCO 49b3fdf08e01f17758987c7a7e8bba30 [0,2,0,0,0,0|0,0,2]=4 865 B8R0.4 CCCCNCCOC e55b55af56c3c637798ec9c85f7b8020 [0,2,0,0,0,0|0,0,2]=4 866 B8R0.4 CCCCNCCON dd65b96d468031dc7885056626818eac [0,2,0,0,0,0|0,0,2]=4 867 B8R0.4 CCCCOCCOC 6735cacff3b7f7ef1ac59b3af2d64f94 [0,2,0,0,0,0|0,0,2]=4 868 B8R0.4 CCCNCC#CCO f4ac2da6fda4ff130e25482d383253d7 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.4 CCCNCCCCO 101d8adf768a1371279ab06c67e1a854 [0,2,0,0,0,0|0,0,2]=4 870 B8R0.4 CCCNCCCOC 97e272a50a3dc43fab42b265af642693 [0,2,0,0,0,0|0,0,2]=4 871 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,2,0,0,0,0|1,0,1]=4 872 B8R0.4 CCCOCCCOC 8f84ed15eeef50c54bbb8786899dacf1 [0,2,0,0,0,0|0,0,2]=4 873 B8R0.4 CCCOCCNCO 8595bcbbbf5fd075137f627b7ec6b8b8 [0,2,0,0,0,0|0,0,2]=4 874 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,2,0,0,0,0|1,0,1]=4 875 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,2,0,0,0,0|1,0,1]=4 877 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,2,0,0,0,0|1,0,1]=4 878 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,2,0,0,0,0|1,0,1]=4 879 B8R0.4 CCNCCCCCO d908c3b79a6fe3de0920b09f17e57911 [0,2,0,0,0,0|0,0,2]=4 880 B8R0.4 CCNCCCCOC 2651322fa047b3732accc75cc3da11da [0,2,0,0,0,0|0,0,2]=4 881 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,2,0,0,0,0|1,0,1]=4 882 B8R0.4 CCNCCOCCO ab40f68d3f552d1a5970b56d1caa576b [0,2,0,0,0,0|0,0,2]=4 883 B8R0.4 CCNCCSCCO 0756ee7e2e7cb3b848634875dd09b614 [0,2,0,0,0,0|0,0,2]=4 884 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,2,0,0,0,0|0,0,2]=4 885 B8R0.4 CCOCCCNCO bfe6253cc19f5ad9b4c9906398627a21 [0,2,0,0,0,0|0,0,2]=4 886 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,2,0,0,0,0|1,0,1]=4 888 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,2,0,0,0,0|1,0,1]=4 889 B8R0.4 CCOCCNCCO d1a45d737dc86da6f39330718d51704a [0,2,0,0,0,0|0,0,2]=4 890 B8R0.4 CCOCCNCOC e16f65f06bc2b99b3d907b4d797a61e8 [0,2,0,0,0,0|1,0,1]=4 891 B8R0.4 CCOCCOCOC e6334ba77bd51e3629560bf63da6c369 [0,2,0,0,0,0|1,0,1]=4 892 B8R0.4 CCOCNCCCO 23eae121855a8a5e5052222178789d02 [0,2,0,0,0,0|0,0,2]=4 893 B8R0.4 CCOCNCCOC 37def935720b65fc87e703710aa404ee [0,2,0,0,0,0|1,0,1]=4 894 B8R0.4 CCOCNCCON 072d82705d35da15718af35238f91212 [0,2,0,0,0,0|1,0,1]=4 895 B8R0.4 CCOCOCCOC c7e233af0a5763c1e2ec98e8a015fd4e [0,2,0,0,0,0|1,0,1]=4 896 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,2,0,0,0,0|1,0,1]=4 897 B8R0.4 CCSCCNCCO 705a322c53733f80608fa2aca65490a0 [0,2,0,0,0,0|0,0,2]=4 898 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,2,0,0,0,0|1,0,1]=4 899 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,2,0,0,0,0|1,0,1]=4 900 B8R0.4 COCCCCNCO 51786f99381d54403ea46d9383ba40cc [0,2,0,0,0,0|0,0,2]=4 901 B8R0.4 COCCCNCCBr 5aa78c798a841e80d82d9e60431330c0 [0,2,0,0,0,0|1,0,1]=4 902 B8R0.4 COCCCNCCF 041e6994048488d22c955ac776af010f [0,2,0,0,0,0|1,0,1]=4 903 B8R0.4 COCCCNCCI 0186411caa2b9183db8f4098d308fa17 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.4 COCCCNCCO b882d8685487a56fc2c12e34e8e227c1 [0,2,0,0,0,0|0,0,2]=4 905 B8R0.4 COCCCNCCS 256755def3a3944e6faf39ebe1680a8e [0,2,0,0,0,0|1,0,1]=4 906 B8R0.4 COCCCNCOC 1f1875caa8620256569e5f1ae787d042 [0,2,0,0,0,0|1,0,1]=4 907 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,2,0,0,0,0|1,0,1]=4 908 B8R0.4 COCCCOCCF 4ffb019798fea01253e3983e39a3b217 [0,2,0,0,0,0|1,0,1]=4 909 B8R0.4 COCCCOCCS 034151073721ed7fced30d5c7d96809d [0,2,0,0,0,0|1,0,1]=4 910 B8R0.4 COCCCOCOC 92047848dd3f717a8d9bb57dfbd960e0 [0,2,0,0,0,0|1,0,1]=4 911 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,2,0,0,0,0|1,0,1]=4 912 B8R0.4 COCCNCCCCl 8ba52790533836faa6d427a3a5bb4ad8 [0,2,0,0,0,0|1,0,1]=4 913 B8R0.4 COCCNCCCF 850fc0a7b5ae0b2e275a1a55ec529615 [0,2,0,0,0,0|1,0,1]=4 914 B8R0.4 COCCNCCCO f3bbaa1e3688613cc916b70ff8bfcc57 [0,2,0,0,0,0|0,0,2]=4 915 B8R0.4 COCCNCCCS be316613b399b4ebb219164243e1782e [0,2,0,0,0,0|1,0,1]=4 916 B8R0.4 COCCNCCOC 7f69cc5c3d87f83720e2be24902d0af0 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.4 COCCNCCON 89199e813abd4798288aaf694ec385ef [0,2,0,0,0,0|1,0,1]=4 918 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,2,0,0,0,0|1,0,1]=4 919 B8R0.4 COCCOCCCF 651595a2ed17cf2d5400c65132f59bbb [0,2,0,0,0,0|1,0,1]=4 920 B8R0.4 COCCOCCCS 7f30d2700702c5fb0d3765382f49053b [0,2,0,0,0,0|1,0,1]=4 921 B8R0.4 COCCOCCOC b3f4861d575f20a0b2a5fdeb65250e49 [0,2,0,0,0,0|1,0,1]=4 922 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.4 COCNCCCCO ca8efaa5098c48b237959f5a1a115e02 [0,2,0,0,0,0|0,0,2]=4 924 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [0,2,0,0,0,0|1,0,1]=4 925 B8R0.4 COCOCC=CC#N f530ba679650551dd403459bb229f1b4 [0,2,0,0,0,0|1,0,1]=4 926 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,2,0,0,0,0|0,0,2]=4 927 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,2,0,0,0,0|0,0,2]=4 928 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,2,0,0,0,0|0,0,2]=4 929 B8R0.4 CSCCNCCON 429f16b13efc7d47f0a72891cf3ff27d [0,2,0,0,0,0|1,0,1]=4 930 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,2,0,0,0,0|0,0,2]=4 931 B8R0.4 N#CC=CCNCCO bd9c1ffb6f301116f96b17e961ddaa30 [0,2,0,0,0,0|1,0,1]=4 932 B8R0.4 N#CCCCNCCO 1dbf1dfb1c947fbab873cfb67d68498d [0,2,0,0,0,0|1,0,1]=4 933 B8R0.4 N#CCCNCCCO 03e45c8fdb4434cec08ca61a1346d851 [0,2,0,0,0,0|1,0,1]=4 934 B8R0.4 NOCCNCCCF 8483cad025896473acdf0dcb905aa8c1 [0,2,0,0,0,0|1,0,1]=4 935 B8R0.4 NOCCNCCCO 774001fb7b569048dbf3827ed251d91b [0,2,0,0,0,0|1,0,1]=4 936 B8R0.4 NOCCNCCCS 472fcce172ae40137cb5077898e16ed7 [0,2,0,0,0,0|1,0,1]=4 937 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,2,0,0,0,0|1,0,1]=4 938 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,2,0,0,0,0|1,0,1]=4 939 B8R0.4 OCCCCCNCF 25d56bc8c15e4c20f5a184f918113f82 [0,2,0,0,0,0|0,0,2]=4 940 B8R0.4 OCCCCCNCO 038987fbd20376da0184e7a2bb8e961a [0,2,0,0,0,0|0,0,2]=4 941 B8R0.4 OCCCCNCCBr b8272bf99e189e04880dcfd730231b2b [0,2,0,0,0,0|0,0,2]=4 942 B8R0.4 OCCCCNCCF 2daa62cc0028d64bc29fafcad94d748e [0,2,0,0,0,0|0,0,2]=4 943 B8R0.4 OCCCCNCCI cdb4dde329b0741952f850c2dd02d1b5 [0,2,0,0,0,0|0,0,2]=4 944 B8R0.4 OCCCCNCCO e72d5640c9e9814577fc90927ba3cf97 [0,2,0,0,0,0|0,0,2]=4 945 B8R0.4 OCCCCNCCS 5d16d6e12c3caf8d554ea26242ff4070 [0,2,0,0,0,0|0,0,2]=4 946 B8R0.4 OCCCNCCCCl 44f2130d0900b9b9a2e68588ed818b63 [0,2,0,0,0,0|0,0,2]=4 947 B8R0.4 OCCCNCCCF 201bb160220db94d82abc76c90013df3 [0,2,0,0,0,0|0,0,2]=4 948 B8R0.4 OCCCNCCCO edf3eb30c42c02706057aad3f4a6d1c1 [0,2,0,0,0,0|0,0,2]=4 949 B8R0.4 OCCCNCCCS 75a172a7fa3542a9588af5e5e0868eac [0,2,0,0,0,0|0,0,2]=4 950 B8R0.4 OCCNCCCCCl a1e2d068725a16b76d30dd03cf072ef5 [0,2,0,0,0,0|0,0,2]=4 951 B8R0.4 OCCNCCCCF 7519fd252ff10beaab56e21a65ca208e [0,2,0,0,0,0|0,0,2]=4 952 B8R0.4 OCCNCCCCS 27274de9e3a3d0b9a3b84ebefc58a4e3 [0,2,0,0,0,0|0,0,2]=4 953 B8R0.4 OCCOCCNCF 1688f9d4b94d3d27a20aedeebca8507f [0,2,0,0,0,0|1,0,1]=4 954 B8R0.4 OCCOCCNCO b8376885fd98d838d1a745a28251ecc5 [0,2,0,0,0,0|1,0,1]=4 955 B8R0.4 OCCSCCNCF cb5b3cf00adab2a34aa5e895e0a9f1fa [0,2,0,0,0,0|1,0,1]=4 956 B8R0.4 OCCSCCNCO 3980bb589c09e1402dc3f13ea70bae04 [0,2,0,0,0,0|1,0,1]=4 957 B8R0.4 OCNCCCCCCl e4dd2c6014a8adf50a81d9204a644674 [0,2,0,0,0,0|0,0,2]=4 958 B8R0.4 OCNCCOCCS 571ee11f0d3575a556c292dd6fae310f [0,2,0,0,0,0|1,0,1]=4 959 B8R0.6 C#CC(C)NCCCO 5695008b6e686f1d3515ae64dcbfd5e3 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.6 C#C[C@@H](C)NCCCO 7cfbf49d28ccc61526b3275daf51ec17 [0,2,0,0,0,0|1,0,1]=4 962 B8R0.6 C#C[C@H](C)NCCCO 634aff1d670f6154e19400816c693df3 [0,2,0,0,0,0|1,0,1]=4 963 B8R0.6 C/C=C/CNC(C)CO bba8dbf0fee5054bf9ab54d443af80dc [0,2,0,0,0,0|0,0,2]=4 964 B8R0.6 C/C=C/CN[C@@H](C)CO 4127afd17a311c964f405e8372c6f0d4 [0,2,0,0,0,0|0,0,2]=4 965 B8R0.6 C/C=C/CN[C@H](C)CO c540cc85f7406a345f35ef9a77d2db27 [0,2,0,0,0,0|0,0,2]=4 966 B8R0.6 C/C=C\CNC(C)CO 75d7903a04f50834b603e948e13b7d46 [0,2,0,0,0,0|0,0,2]=4 967 B8R0.6 C/C=C\CN[C@@H](C)CO 1658aa06967e9cc30f7dd209c8879a92 [0,2,0,0,0,0|0,0,2]=4 968 B8R0.6 C/C=C\CN[C@H](C)CO e751366bb6353bf65b49aa5f12cb2d06 [0,2,0,0,0,0|0,0,2]=4 969 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,2,0,0,0,0|1,0,1]=4 970 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,2,0,0,0,0|1,0,1]=4 971 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,2,0,0,0,0|1,0,1]=4 972 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,2,0,0,0,0|1,0,1]=4 973 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,2,0,0,0,0|0,0,1]=3 974 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,2,0,0,0,0|0,1,1]=4 975 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,2,0,0,0,0|0,1,1]=4 978 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,2,0,0,0,0|1,0,1]=4 979 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,2,0,0,0,0|1,0,1]=4 981 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,2,0,0,0,0|1,0,1]=4 983 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,2,0,0,0,0|2,0,0]=4 985 B8R0.6 CC(C#N)CNCCO ea131cb3d4d88a2d04b70b20cedb1fa6 [0,2,0,0,0,0|1,0,1]=4 986 B8R0.6 CC(C#N)NCCCO af1424d1b810eaf76a219a918f4f4c17 [0,2,0,0,0,0|1,0,1]=4 987 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.6 CC(CO)CNCCBr d121d103935777f751c1c7b6b5f9b62f [0,2,0,0,0,0|1,0,1]=4 989 B8R0.6 CC(CO)CNCCF 88c6f1091bf9f5c91a3f9be8331f0eb2 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.6 CC(CO)CNCCI 8370d8f29561179547fc3444e79dfad7 [0,2,0,0,0,0|1,0,1]=4 991 B8R0.6 CC(CO)CNCCO 999d507f7ca6cc28527d7a2703f569b7 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.6 CC(CO)CNCCS afcdeaa8fef3530e70b1f054b0bb82c1 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.6 CC(CO)NCCCCl 445654afe332a8f4e48709b338e385a8 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.6 CC(CO)NCCCF 628689b624b32c3b4fdc5cadc93b28b3 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.6 CC(CO)NCCCO 499b6197ac53017ec71cd3e4679adfdc [0,2,0,0,0,0|1,0,1]=4 996 B8R0.6 CC(CO)NCCCS 3c0f32602249770b39d3cf2b86ad6dd2 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.6 CC/C=C/CN(C)CC bc9391756a9e8870e2f8e1cea97c64ab [0,2,0,0,0,0|1,0,0]=3 998 B8R0.6 CC=CCNC(C)CO 62b395f84f12504c6319a268077bb022 [0,2,0,0,0,0|0,0,2]=4 999 B8R0.6 CC=CCN[C@@H](C)CO 86a56294cce9491c91b550c6e8d06d0a [0,2,0,0,0,0|0,0,2]=4 1000 B8R0.6 CC=CCN[C@H](C)CO e0fbc90cdd92c5e39134da5764e5dd8a [0,2,0,0,0,0|0,0,2]=4 1001 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|0,0,1]=3 1005 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,2,0,0,0,0|0,1,1]=4 1006 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,2,0,0,0,0|1,0,1]=4 1007 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,2,0,0,0,0|0,1,1]=4 1008 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,2,0,0,0,0|1,0,1]=4 1011 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|0,0,1]=3 1012 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,2,0,0,0,0|1,0,0]=3 1013 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,2,0,0,0,0|1,0,0]=3 1014 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,2,0,0,0,0|1,1,0]=4 1015 B8R0.6 CCC(C)CCNCO a717183e2753a65ce41087de67df43e3 [0,2,0,0,0,0|0,0,2]=4 1016 B8R0.6 CCC(C)CNCCO 155e71acafbdad94431c08477c016c1f [0,2,0,0,0,0|0,0,2]=4 1017 B8R0.6 CCC(C)NCCCO 3a0518777cbee3c7e45bb22e20c87d57 [0,2,0,0,0,0|0,0,2]=4 1018 B8R0.6 CCC(C)NCCOC c25488696c4e2089a7e730cde3ffad4c [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.6 CCC(C)NCCON 6395e58d539f3295d755078dcbfef5b5 [0,2,0,0,0,0|1,0,1]=4 1020 B8R0.6 CCC(C)OCCOC 0f412b4c400bcc343476480e66445e27 [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.6 CCCCCN(C)CO 702cd1b5f55dd49ef03de9639f750f5d [0,2,0,0,0,0|0,0,2]=4 1023 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.6 CCCCNC(C)CO a4efa04835aec462a506dc09510b7daa [0,2,0,0,0,0|0,0,2]=4 1025 B8R0.6 CCCCN[C@@H](C)CO d8f5c76ec16b14b85f3ea7c0c7c506ec [0,2,0,0,0,0|0,0,2]=4 1026 B8R0.6 CCCCN[C@H](C)CO 8c5ff7f1c65ebff164beb494dca30506 [0,2,0,0,0,0|0,0,2]=4 1027 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|1,0,1]=4 1028 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.6 CCCNCC(C)CO bada9382d7478daf22189069037ac93e [0,2,0,0,0,0|0,0,2]=4 1030 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.6 CCCNCC(F)CO 1fbd267406b42948814f2731c74a697d [0,2,0,0,0,0|0,0,2]=4 1032 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,2,0,0,0,0|0,0,2]=4 1035 B8R0.6 CCCNC[C@@H](C)CO e2e04f216e2cf7289ffbc090d47f4872 [0,2,0,0,0,0|0,0,2]=4 1036 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.6 CCCNC[C@@H](F)CO 2e4db86e61d98ce82db032e44095de49 [0,2,0,0,0,0|0,0,2]=4 1038 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,2,0,0,0,0|0,0,2]=4 1039 B8R0.6 CCCNC[C@H](C)CO defe9877a5fa0f3089777deffa950668 [0,2,0,0,0,0|0,0,2]=4 1040 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,2,0,0,0,0|1,0,1]=4 1041 B8R0.6 CCCNC[C@H](F)CO 3389b643e0aff855320122ad6471828f [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,2,0,0,0,0|1,0,1]=4 1043 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,2,0,0,0,0|0,0,2]=4 1047 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,2,0,0,0,0|0,0,2]=4 1049 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,2,0,0,0,0|0,0,2]=4 1051 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,2,0,0,0,0|0,0,2]=4 1052 B8R0.6 CCN(C)CCCOC 9daef8ee27bac836bae693fac9c07495 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.6 CCNCCC(C)CO ffe66682733dd9abfb03c881d931d81e [0,2,0,0,0,0|0,0,2]=4 1054 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,2,0,0,0,0|0,0,2]=4 1055 B8R0.6 CCNCC[C@@H](C)CO ffdff460ce93129e3bafc62c0c27431e [0,2,0,0,0,0|0,0,2]=4 1056 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.6 CCOCCN(C)CO b65808a1feae7a64adfe4a5fe7b8d2d1 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.6 CCOCNC(C)CO 5ebcdf59239cfcc35f4b7f61ea4515b6 [0,2,0,0,0,0|1,0,1]=4 1059 B8R0.6 CCOCN[C@@H](C)CO 3158c0d2f8da9a26d663d5ea0a2a9bf3 [0,2,0,0,0,0|1,0,1]=4 1060 B8R0.6 CCOCN[C@H](C)CO 4ab6995009caf0fe7f374102e397ab9f [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.6 CC[C@@H](C)CNCCO e1fd496afac14166a64ee9248481c552 [0,2,0,0,0,0|0,0,2]=4 1062 B8R0.6 CC[C@@H](C)NCCCO dc42ae2f8c45e28af7ed7e47c2ed7508 [0,2,0,0,0,0|0,0,2]=4 1063 B8R0.6 CC[C@@H](C)NCCOC 9bc6267f1aec0efa010d02896e34635b [0,2,0,0,0,0|1,0,1]=4 1064 B8R0.6 CC[C@@H](C)OCCOC db30ac2bff0c750a2289ad4cf8a04d34 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,2,0,0,0,0|0,0,2]=4 1066 B8R0.6 CC[C@H](C)CNCCO b6e69a08d3d39a8bf31c308cc288716e [0,2,0,0,0,0|0,0,2]=4 1067 B8R0.6 CC[C@H](C)NCCCO ecbac2a864467c7a08e0fe04708373c7 [0,2,0,0,0,0|0,0,2]=4 1068 B8R0.6 CC[C@H](C)NCCOC 38a5269e53cebe3176cb690b2be4e7fa [0,2,0,0,0,0|1,0,1]=4 1069 B8R0.6 CC[C@H](C)OCCOC fe75e9412a4cbec1e3be8b753803fef8 [0,2,0,0,0,0|1,0,1]=4 1070 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|1,0,1]=4 1072 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|1,0,1]=4 1074 B8R0.6 COC(C)CNCCO 0f8da2fe020173b495a919bb7366dd98 [0,2,0,0,0,0|1,0,1]=4 1075 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,2,0,0,0,0|2,0,0]=4 1078 B8R0.6 COCCNC(C)CO c390190648710b9656729f61660a1ea2 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.6 COCCN[C@@H](C)CO 31e33a95d7a54296089a78a2eec17cfa [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.6 COCCN[C@H](C)CO 4149e644494b54610597168cd93a21bb [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.6 COCNCC(C)CO 7a2e0eee430810ea3ea4debc59a5516e [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.6 COCNCC(F)CO 3b1571ec76f3509c5f9d5c0eabd29d20 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,2,0,0,0,0|1,0,1]=4 1084 B8R0.6 COCNC[C@@H](F)CO 24a7cd7c4d9540dc5eb1cd6d821cecec [0,2,0,0,0,0|1,0,1]=4 1085 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,2,0,0,0,0|1,0,1]=4 1086 B8R0.6 COCNC[C@H](C)CO 231f84dac728a289d40b3e3a902f7d0a [0,2,0,0,0,0|1,0,1]=4 1087 B8R0.6 COCNC[C@H](F)CO cc52652202198b860d51d84128ce61f2 [0,2,0,0,0,0|1,0,1]=4 1088 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,2,0,0,0,0|1,0,1]=4 1089 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,2,0,0,0,0|1,0,1]=4 1090 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,2,0,0,0,0|1,0,1]=4 1091 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,2,0,0,0,0|1,0,1]=4 1092 B8R0.6 CO[C@@H](C)CNCCO bdc5af120e21fed0e9f5ff90640d6138 [0,2,0,0,0,0|1,0,1]=4 1093 B8R0.6 CO[C@H](C)CNCCO eb0d14126ad888b1d3378c286328a08a [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.6 CSCCNC(C)CO eb710b0198f2b39e52336e903ad250ef [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.6 CSCCN[C@@H](C)CO cfc28bd1fda6abe13c274ff1bd20f592 [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.6 CSCCN[C@H](C)CO c317f5fd9170c648d9158d4d47f133a4 [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,2,0,0,0,0|1,0,1]=4 1098 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,2,0,0,0,0|1,0,1]=4 1099 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|1,0,1]=4 1100 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,2,0,0,0,0|1,0,1]=4 1101 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|1,0,1]=4 1102 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,2,0,0,0,0|1,0,1]=4 1103 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,2,0,0,0,0|1,0,1]=4 1104 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.6 C[C@@H](CO)CNCCBr d50c5d51afa5943537be1cc5a65b13a8 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.6 C[C@@H](CO)CNCCF 3c604134a748abd2f2f86e254315e04a [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.6 C[C@@H](CO)CNCCI dede1b94588103839adb40049889bb5d [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.6 C[C@@H](CO)CNCCO 9af5b268cdbbb48fe80cc31700cfc4a2 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.6 C[C@@H](CO)CNCCS 83b8105b81b35043285dd51f7cdbc743 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.6 C[C@@H](CO)NCCCCl a6ec4ecbbee7732eecc2142389b09ab9 [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.6 C[C@@H](CO)NCCCF 31cf9f118cf1a14935561884c7390a5c [0,2,0,0,0,0|1,0,1]=4 1112 B8R0.6 C[C@@H](CO)NCCCO 6461b70f844a39969873e06a3571a000 [0,2,0,0,0,0|1,0,1]=4 1113 B8R0.6 C[C@@H](CO)NCCCS 1a9d4e91723411ccd622ff9972062908 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.6 C[C@H](CO)CNCCBr 4b0b7fe680b6c331915fa2277d8376d4 [0,2,0,0,0,0|1,0,1]=4 1116 B8R0.6 C[C@H](CO)CNCCF e9a6aeb3654dc0602a6d1f17983b36d4 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.6 C[C@H](CO)CNCCI b4abad2c74077a8495cda50f2e51cd04 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.6 C[C@H](CO)CNCCO b2b4657fd14e0249f6aeb2840e730b6b [0,2,0,0,0,0|1,0,1]=4 1119 B8R0.6 C[C@H](CO)CNCCS be5c40b1ea1bff877fe6e3aade52274e [0,2,0,0,0,0|1,0,1]=4 1120 B8R0.6 C[C@H](CO)NCCCCl 0659f39184bb25db88c7e15cb4100ad3 [0,2,0,0,0,0|1,0,1]=4 1121 B8R0.6 C[C@H](CO)NCCCF 4d6f15b96ddc97660fdd9cec9ddf4d83 [0,2,0,0,0,0|1,0,1]=4 1122 B8R0.6 C[C@H](CO)NCCCO 0891af69e95a2685b6435db9477f8286 [0,2,0,0,0,0|1,0,1]=4 1123 B8R0.6 C[C@H](CO)NCCCS 37fda87e44e17ab9f7aa84f9ecc716ff [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.6 NOCCNC(=O)CF 46907fa58646111f9869cb76f3fa548d [0,2,0,0,0,0|2,0,0]=4 1125 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,2,0,0,0,0|2,0,0]=4 1126 B8R0.6 NOCCNC(=O)CS 0e95ecc1ba2742311363fa4125fb38fb [0,2,0,0,0,0|2,0,0]=4 1127 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|1,0,1]=4 1129 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|1,0,1]=4 1130 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|1,0,1]=4 1131 B8R0.6 OCC(F)CNCCF 47b25da389d463b01b79a9fdcc81a66d [0,2,0,0,0,0|1,0,1]=4 1132 B8R0.6 OCC(F)CNCCS 08d2169dfc97c42d68c7254ebcc0d01e [0,2,0,0,0,0|1,0,1]=4 1133 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,2,0,0,0,0|1,0,1]=4 1134 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,2,0,0,0,0|1,0,1]=4 1135 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,2,0,0,0,0|1,0,1]=4 1136 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,2,0,0,0,0|1,0,1]=4 1137 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,2,0,0,0,0|1,0,1]=4 1138 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,2,0,0,0,0|1,0,1]=4 1139 B8R0.6 OCCNCC(Br)CBr b5ebf233541fc75829e07f045114bc88 [0,2,0,0,0,0|1,0,1]=4 1140 B8R0.6 OCCNCC(F)CO c49eba70ba235443a64b3fdb137219cd [0,2,0,0,0,0|1,0,1]=4 1141 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,2,0,0,0,0|1,0,1]=4 1142 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,2,0,0,0,0|1,0,1]=4 1143 B8R0.6 OCCNC[C@@H](F)CO f0a8569733061565e77df74ca5d97b0a [0,2,0,0,0,0|1,0,1]=4 1144 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,2,0,0,0,0|1,0,1]=4 1145 B8R0.6 OCCNC[C@H](F)CO 97f3758f135f3ad80a6e4096fcc72261 [0,2,0,0,0,0|1,0,1]=4 1146 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,2,0,0,0,0|1,0,1]=4 1147 B8R0.6 OC[C@@H](F)CNCCF 71fdee11ded3c4308f379d61e33e03eb [0,2,0,0,0,0|1,0,1]=4 1148 B8R0.6 OC[C@@H](F)CNCCS 05424800e1306ed275f6467a9d4080a1 [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,2,0,0,0,0|1,0,1]=4 1150 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,2,0,0,0,0|1,0,1]=4 1151 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,2,0,0,0,0|1,0,1]=4 1152 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,2,0,0,0,0|1,0,1]=4 1153 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,2,0,0,0,0|1,0,1]=4 1154 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,2,0,0,0,0|1,0,1]=4 1155 B8R0.6 OC[C@H](F)CNCCF bbf8bd99395ca1e217b9e444b50f1808 [0,2,0,0,0,0|1,0,1]=4 1156 B8R0.6 OC[C@H](F)CNCCS 034ceb360b46caf7d721809f49ad431a [0,2,0,0,0,0|1,0,1]=4 1157 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,2,0,0,0,0|1,0,1]=4 1159 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,2,0,0,0,0|1,0,1]=4 1160 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,2,0,0,0,0|1,0,1]=4 1162 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,2,0,0,0,0|1,0,1]=4 1163 B8R0.7 C/C(=C/CNCCO)/I e7788fa36159fd206e0a3b27854cfd27 [0,2,0,0,0,0|0,0,2]=4 1164 B8R0.7 C/C(=C\CNCCO)/Cl 49bb7565d9837c47c95956eb00cdffbb [0,2,0,0,0,0|0,0,2]=4 1165 B8R0.7 C/C=C/CNCC(C)O 706b7ee4e3f651c4ef21af8a02fff587 [0,2,0,0,0,0|0,0,2]=4 1166 B8R0.7 C/C=C/CNC[C@@H](C)O 9cc88730a7b6c5f02a9d2f5e6f67c4e4 [0,2,0,0,0,0|0,0,2]=4 1167 B8R0.7 C/C=C/CNC[C@H](C)O 1acf4707ce0333163ff659136cf2b6da [0,2,0,0,0,0|0,0,2]=4 1168 B8R0.7 C/C=C\CNCC(C)O 4872f4c901dc8cc56679a0801ea5fa82 [0,2,0,0,0,0|0,0,2]=4 1169 B8R0.7 C/C=C\CNC[C@@H](C)O 8a926f9e7738c9540aa2a6d2f41bc645 [0,2,0,0,0,0|0,0,2]=4 1170 B8R0.7 C/C=C\CNC[C@H](C)O adad592ebec3ffb5ca56dd53da3fb565 [0,2,0,0,0,0|0,0,2]=4 1171 B8R0.7 C=C(C)CCNCCO 21920b0882725c69be4c5ff08469b5db [0,2,0,0,0,0|1,0,1]=4 1172 B8R0.7 C=C(C)CNCCCO 4c5bf90b2f32d3a4f10f165a15242432 [0,2,0,0,0,0|1,0,1]=4 1173 B8R0.7 CC(=CCNCCO)C 0feeda9211e49f7a10ebb18c907ce996 [0,2,0,0,0,0|0,0,2]=4 1174 B8R0.7 CC(=CCNCCO)Cl 2ee9ba9ff7c8b9d705daa10c68d79bd1 [0,2,0,0,0,0|0,0,2]=4 1175 B8R0.7 CC(=CCNCCO)I 9067fd97739f8e67fe2797cc7f12cf31 [0,2,0,0,0,0|0,0,2]=4 1176 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|1,0,1]=4 1177 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|1,0,1]=4 1178 B8R0.7 CC(C)/C=C/CNC#N 662a7772478329bbde8a528c9f4974cd [0,2,0,0,0,0|1,0,1]=4 1179 B8R0.7 CC(C)CCCNCO 9750317b56b896399a99f3a7f7a4e4a1 [0,2,0,0,0,0|0,0,2]=4 1180 B8R0.7 CC(C)CCNCCO 8808dbc8c43d3215658a37aae8c42922 [0,2,0,0,0,0|0,0,2]=4 1181 B8R0.7 CC(C)CNCCCO 1cd6cdd205d9b8765f3eafc45298521d [0,2,0,0,0,0|0,0,2]=4 1182 B8R0.7 CC(C)CNCCON 8e91a62e1bb43e3a5c1b835333643145 [0,2,0,0,0,0|1,0,1]=4 1183 B8R0.7 CC(C)NCCCCO cac322fa4c207db5bec318c0141a5615 [0,2,0,0,0,0|0,0,2]=4 1184 B8R0.7 CC(C)OCCNCO 0aee07ff538edc4e8f422683fa1e35c0 [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.7 CC(C)OCNCCO 7914ffab43828f446a5354dacb24e6a5 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.7 CC(O)CCNCCBr 5a93f7293e77ce97835ff01ebe452505 [0,2,0,0,0,0|1,0,1]=4 1187 B8R0.7 CC(O)CCNCCF ef84e9c91e955495b1b392657fd5821f [0,2,0,0,0,0|1,0,1]=4 1188 B8R0.7 CC(O)CCNCCI bfeeae8cdf0455d1c9cfd9eb984023c3 [0,2,0,0,0,0|1,0,1]=4 1189 B8R0.7 CC(O)CCNCCO 1a35051c97021be18870217e0a33c64e [0,2,0,0,0,0|0,0,2]=4 1190 B8R0.7 CC(O)CCNCCS 238e44838a362c90d19257797e15c958 [0,2,0,0,0,0|1,0,1]=4 1191 B8R0.7 CC(O)CNCCCCl 333628270b035381d7a3131b7004001c [0,2,0,0,0,0|1,0,1]=4 1192 B8R0.7 CC(O)CNCCCF 753f028cfacbeb87aa0832e03394d242 [0,2,0,0,0,0|1,0,1]=4 1193 B8R0.7 CC(O)CNCCCO fe4cf1fbd21f9c78c984e34870d2398d [0,2,0,0,0,0|0,0,2]=4 1194 B8R0.7 CC(O)CNCCCS 7a3702a079c3bcade1b24a337aa57ea3 [0,2,0,0,0,0|1,0,1]=4 1195 B8R0.7 CC(O)CNCCON b1f97ecb062790a9ea413ad85e71fa34 [0,2,0,0,0,0|1,0,1]=4 1196 B8R0.7 CC/C=C/COC(C)C d67b04cdb3ee857cf285217420b83c9a [0,2,0,0,0,0|1,0,0]=3 1197 B8R0.7 CC/C=C\COC(C)C 1eaca156f92510db32152c3a8502c92d [0,2,0,0,0,0|1,0,0]=3 1198 B8R0.7 CC=CCNCC(C)O 3355a6f27ac95da3103ef606509bbc54 [0,2,0,0,0,0|0,0,2]=4 1199 B8R0.7 CC=CCNC[C@@H](C)O bb14a2a5b0f2f934973f50d6088143bf [0,2,0,0,0,0|0,0,2]=4 1200 B8R0.7 CC=CCNC[C@H](C)O a80e401a4fa769c8d578a7424ece8141 [0,2,0,0,0,0|0,0,2]=4 1201 B8R0.7 CCCCNCC(C)O 931ffaa97d207c9fb7ebac0ec881f8e7 [0,2,0,0,0,0|0,0,2]=4 1202 B8R0.7 CCCCNC[C@@H](C)O 4edb0f48a9a733f4509d2f3b0321ae53 [0,2,0,0,0,0|0,0,2]=4 1203 B8R0.7 CCCCNC[C@H](C)O 57de7703f075876997013fb957b70c80 [0,2,0,0,0,0|0,0,2]=4 1204 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.7 CCCNCCC(C)O ccdd4aef6b342b7b92e15346bf177ff3 [0,2,0,0,0,0|0,0,2]=4 1206 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.7 CCCNCC[C@@H](C)O 96ed78371080616609e6a19f4bc6ef50 [0,2,0,0,0,0|0,0,2]=4 1208 B8R0.7 CCCNCC[C@H](C)O e223e4268330f6aea945d3b98613cfef [0,2,0,0,0,0|0,0,2]=4 1209 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|1,0,1]=4 1211 B8R0.7 CCOCNCC(C)O 24ccfaa7e75872cf26d496230fd15b21 [0,2,0,0,0,0|1,0,1]=4 1212 B8R0.7 CCOCNC[C@@H](C)O 75d9d187f353289c2c2a7694580ab35a [0,2,0,0,0,0|1,0,1]=4 1213 B8R0.7 CCOCNC[C@H](C)O 09d1233b9ac8e82ae19ef34daace6a79 [0,2,0,0,0,0|1,0,1]=4 1214 B8R0.7 CN(C)CCNCCO 623d782539049a31626f7dc9eeb58e94 [0,2,0,0,0,0|1,0,1]=4 1215 B8R0.7 CN(C)CNCCCO b9383588f6977f4de542d2f93d3da9b2 [0,2,0,0,0,0|1,0,1]=4 1216 B8R0.7 COCCCNC(C)C c96e3047c8ced8f316486e1c2cd3b324 [0,2,0,0,0,0|1,0,1]=4 1217 B8R0.7 COCCCOC(C)C 5684bb8a7ac01785c80283a1f20a9ef4 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.7 COCCNCC(C)C 0f93e00b6918ab89e337016dce5ddb5a [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.7 COCCNCC(C)O a6f4728eeff32ec4fcbf8e57ed616698 [0,2,0,0,0,0|1,0,1]=4 1220 B8R0.7 COCCNC[C@@H](C)O 4beb59a86c8864c163dcbb580623ab5e [0,2,0,0,0,0|1,0,1]=4 1221 B8R0.7 COCCNC[C@H](C)O a9c8878bb2cf027926f7305b99434175 [0,2,0,0,0,0|1,0,1]=4 1222 B8R0.7 COCCOCC(C)C d0e5035e5ad75d7667af2fe282c6f0ba [0,2,0,0,0,0|1,0,1]=4 1223 B8R0.7 COCCOCC(C)F 1ea288114b620c4cc60edddefbfb1519 [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.7 COCCOCC(C)S 47bc24d67a548bf8c3c221f967c74e10 [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.7 COCCOC[C@@H](C)F 618ae4185ff142f7f47a17f052759c0d [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.7 COCCOC[C@H](C)F a7127a4f8e91a396cf79f96f9636bc86 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.7 COCNCCC(C)O 639e1300d4061a93e5a3a9497a727f46 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.7 COCNCC[C@@H](C)O 123c5ef1cba87a9588fce251e247bddb [0,2,0,0,0,0|1,0,1]=4 1229 B8R0.7 COCNCC[C@H](C)O 5ef169a9cdf49589607767e5c3010b08 [0,2,0,0,0,0|1,0,1]=4 1230 B8R0.7 CS(=O)CCNCCO 93f7733e139b010e12660cb8139e909a [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,2,0,0,0,0|1,0,1]=4 1233 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,2,0,0,0,0|1,0,1]=4 1234 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,2,0,0,0,0|1,0,1]=4 1236 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,2,0,0,0,0|1,0,1]=4 1237 B8R0.7 C[C@@H](O)CCNCCF 00fb3246a5e0f0a40073adf4dd0f9c5c [0,2,0,0,0,0|1,0,1]=4 1238 B8R0.7 C[C@@H](O)CCNCCO f9220c0511756d4131431901bdca8f86 [0,2,0,0,0,0|0,0,2]=4 1239 B8R0.7 C[C@@H](O)CCNCCS 59e3ce95e9f830a111eb231010deea45 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.7 C[C@@H](O)CNCCCCl 5a9543c00533d909465726506f8ef18f [0,2,0,0,0,0|1,0,1]=4 1241 B8R0.7 C[C@@H](O)CNCCCF 643e67d7d3a28d1a865b989008a91394 [0,2,0,0,0,0|1,0,1]=4 1242 B8R0.7 C[C@@H](O)CNCCCO e8d0c49be9e4f764b9eb8137611b6561 [0,2,0,0,0,0|0,0,2]=4 1243 B8R0.7 C[C@@H](O)CNCCCS b776364a0a5c11e40b8ce2ccd6634a83 [0,2,0,0,0,0|1,0,1]=4 1244 B8R0.7 C[C@@H](O)CNCCON cf5735b15a5d6d2ceccc8de528ff0d1e [0,2,0,0,0,0|1,0,1]=4 1245 B8R0.7 C[C@H](O)CCNCCF aa34994106d76d285bfde4726af6850e [0,2,0,0,0,0|1,0,1]=4 1246 B8R0.7 C[C@H](O)CCNCCO b2ddda35e31f7463fd2502c2af77ff58 [0,2,0,0,0,0|0,0,2]=4 1247 B8R0.7 C[C@H](O)CCNCCS 086cc0a61842d6afaf2d8eb1da7a5b2d [0,2,0,0,0,0|1,0,1]=4 1248 B8R0.7 C[C@H](O)CNCCCCl f7dfc1410f499a1afe59ca2b5ed2048f [0,2,0,0,0,0|1,0,1]=4 1249 B8R0.7 C[C@H](O)CNCCCF 8bc48768a95eefd9754dfea6d5065444 [0,2,0,0,0,0|1,0,1]=4 1250 B8R0.7 C[C@H](O)CNCCCO 0f92a48ea3b315178512a9aaa009df0a [0,2,0,0,0,0|0,0,2]=4 1251 B8R0.7 C[C@H](O)CNCCCS e48e13187eb89118c3ba8c6bedda190f [0,2,0,0,0,0|1,0,1]=4 1252 B8R0.7 C[C@H](O)CNCCON 0c3e84561343164f8035aff04b6f605b [0,2,0,0,0,0|1,0,1]=4 1253 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [0,2,0,0,0,0|1,0,1]=4 1255 B8R0.7 OCCCNCC(F)F f30d0f1fb00ca8a3ad6293d94c8c9e69 [0,2,0,0,0,0|1,0,1]=4 1256 B8R0.7 OCCNCCC(F)F 2e9e569a16779ff0e140f1a1670838df [0,2,0,0,0,0|1,0,1]=4 1257 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,2,0,0,0,0|1,0,0]=3 1259 B8R0.3 CCC(C)N(C)CCO ce9dc1d5d90d70d93850fd69ffcd5f10 [0,2,0,0,0,0|1,0,1]=4 1260 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,2,0,0,0,0|2,0,0]=4 1261 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.3 CCCN(C)C(C)CO 8beda8059033dea1a0c2a56f23876ffd [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.3 CCCN(C)[C@@H](C)CO ea309c3d5effa1e0573b19703dee4a64 [0,2,0,0,0,0|1,0,1]=4 1264 B8R0.3 CCCN(C)[C@H](C)CO db553edf061f0eb78c1b59d7ccaebc82 [0,2,0,0,0,0|1,0,1]=4 1265 B8R0.3 CCN(C)C(=O)CCF e5a9ff21e8c2fcaad476896c3478fe71 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.3 CCN(C)C(=O)CCO a768fc1ddb9cd71dd31e098b1227291c [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.3 CCN(C)C(=O)CCS 9063f4e5b939dc91c720aeb631377d8b [0,2,0,0,0,0|1,1,0]=4 1268 B8R0.3 CCN(C)C(C)CCO 147ef76c8fa4150e2aaf31d64798013d [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.3 CCN(C)[C@@H](C)CCO 24ac5e527b3f4820ff3091cd834d29a1 [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.3 CN(CCO)C(=O)CF 8eee296041fdc56c535d63fb7b27b7a2 [0,2,0,0,0,0|2,0,0]=4 1271 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,2,0,0,0,0|2,0,0]=4 1272 B8R0.3 CN(CCO)C(=O)CS 797e71b888991b0f90a9d8c6273c3ef5 [0,2,0,0,0,0|2,0,0]=4 1273 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.8 CC(C)C(C)NCCO 1619d105daf7c51230c4b6257a710c36 [0,2,0,0,0,0|1,0,1]=4 1276 B8R0.8 CC(C)N(C)CCCO e3fdd0b9c377308db32c72e64584dc65 [0,2,0,0,0,0|1,0,1]=4 1277 B8R0.8 CC(C)[C@@H](C)NCCO 93e06873f6ef60f625c37b13a6ebb5e9 [0,2,0,0,0,0|1,0,1]=4 1278 B8R0.8 CC(C)[C@H](C)NCCO 4837ecbe37600d9a357778ac43fef7f9 [0,2,0,0,0,0|1,0,1]=4 1279 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,2,0,0,0,0|1,1,0]=4 1282 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,2,0,0,0,0|1,0,0]=3 1285 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,2,0,0,0,0|1,1,0]=4 1286 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,2,0,0,0,0|1,0,1]=4 1287 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,2,0,0,0,0|1,0,0]=3 1291 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,2,0,0,0,0|1,1,0]=4 1292 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,2,0,0,0,0|2,0,0]=4 1294 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,2,0,0,0,0|2,0,0]=4 1295 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,2,0,0,0,0|2,0,0]=4 1297 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,2,0,0,0,0|2,0,0]=4 1298 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,2,0,0,0,0|2,0,0]=4 1299 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,2,0,0,0,0|1,0,1]=4 1300 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,2,0,0,0,0|2,0,0]=4 1301 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,2,0,0,0,0|1,0,0]=3 1302 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,2,0,0,0,0|1,1,0]=4 1303 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,2,0,0,0,0|2,0,0]=4 1304 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,2,0,0,0,0|2,0,0]=4 1305 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,2,0,0,0,0|1,1,0]=4 1307 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,2,0,0,0,0|2,0,0]=4 1308 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,2,0,0,0,0|1,0,0]=3 1309 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,2,0,0,0,0|1,1,0]=4 1310 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,2,0,0,0,0|1,0,0]=3 1313 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,2,0,0,0,0|1,1,0]=4 1314 B8R0.8 O=C(NCCO)C(F)F 92d20ef55af2732384d70ce223367ad5 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.8 O=C(NCCO)C(O)O 98affbb0c0ffe6bee8332b346954c773 [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,2,0,0,0,0|1,0,1]=4 1317 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,2,0,0,0,0|1,0,1]=4 1318 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,2,0,0,0,0|1,0,1]=4 1319 B8R0.9 CC(C)NCC(F)CO 57945639b2aa5eadc3925f215efa7d75 [0,2,0,0,0,0|1,0,1]=4 1320 B8R0.9 CC(C)NCC(O)CO c4c4b95ef9e7e99b58507370307de3cd [0,2,0,0,0,0|1,0,1]=4 1321 B8R0.9 CC(C)NC[C@@H](F)CO f5fc97f4a19a821fbb0f5991a2377115 [0,2,0,0,0,0|1,0,1]=4 1322 B8R0.9 CC(C)NC[C@@H](O)CO 4ed7ffd88ee5a4ec2e5ace2cbcdac84e [0,2,0,0,0,0|1,0,1]=4 1323 B8R0.9 CC(C)NC[C@H](C)CO e9adf2a77c54dea0e47e774e7144a50c [0,2,0,0,0,0|1,0,1]=4 1324 B8R0.9 CC(C)NC[C@H](F)CO 80e5cd77bb3f635b441bec4926980c30 [0,2,0,0,0,0|1,0,1]=4 1325 B8R0.9 CC(C)NC[C@H](O)CO a6cbe2fe699ae5eae98d67fbc9aac7de [0,2,0,0,0,0|1,0,1]=4 1326 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,2,0,0,0,0|1,0,1]=4 1327 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,2,0,0,0,0|1,0,1]=4 1328 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,2,0,0,0,0|1,0,1]=4 1329 B8R0.9 CC(CO)CNC(C)C 8a23f9be65dcc9a39c28dfdb6031b0d4 [0,2,0,0,0,0|1,0,1]=4 1330 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,2,0,0,0,0|1,0,1]=4 1331 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,2,0,0,0,0|1,0,1]=4 1337 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,2,0,0,0,0|1,0,1]=4 1338 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,2,0,0,0,0|1,0,0]=3 1340 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,2,0,0,0,0|2,0,0]=4 1341 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,2,0,0,0,0|1,0,0]=3 1342 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,2,0,0,0,0|1,0,0]=3 1343 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,2,0,0,0,0|1,0,1]=4 1346 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,2,0,0,0,0|1,0,1]=4 1347 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,2,0,0,0,0|1,0,1]=4 1349 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,2,0,0,0,0|1,0,1]=4 1350 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,2,0,0,0,0|1,0,1]=4 1351 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,2,0,0,0,0|1,0,1]=4 1353 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,2,0,0,0,0|2,0,0]=4 1355 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,2,0,0,0,0|1,0,1]=4 1358 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,2,0,0,0,0|2,0,0]=4 1360 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,2,0,0,0,0|2,0,0]=4 1361 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,2,0,0,0,0|1,0,1]=4 1363 B8R0.11 C=C[C@@H](CO)NCCC dbf80c876fbb8dcf06535205d9e2b255 [0,2,0,0,0,0|1,0,1]=4 1364 B8R0.11 CCC(C=O)NCCO 0ef6baa986478af3845ad64b43273775 [0,2,0,0,0,0|1,0,1]=4 1365 B8R0.11 CCC(CC)NCCO d58b1c58f28bba46367e63f966f1872f [0,2,0,0,0,0|1,0,1]=4 1366 B8R0.11 CCC(CO)NCCO ed32f9961dc32ce448cdbe7b92adb26a [0,2,0,0,0,0|1,0,1]=4 1367 B8R0.11 CCCNC(CC)CO 18fc997e699e711c2231a1e18c184815 [0,2,0,0,0,0|1,0,1]=4 1368 B8R0.11 CCCNC(CO)CO 00a487eecd6e21acf35e21d6fc5bcc45 [0,2,0,0,0,0|1,0,1]=4 1369 B8R0.11 CCCN[C@@H](CC)CO f14436f2737b9dbc3051d6d9b364b94f [0,2,0,0,0,0|1,0,1]=4 1370 B8R0.11 CCCN[C@H](CC)CO 81a649534946bc6ce248c71efca3ef7e [0,2,0,0,0,0|1,0,1]=4 1371 B8R0.11 CCCOC(CO)CO 3fab4738851b0062dfd9d64d8b9970f3 [0,2,0,0,0,0|1,0,1]=4 1372 B8R0.11 CCN(C=O)CCCO 1400c17018da6a8c616cf48985189e21 [0,2,0,0,0,0|1,0,1]=4 1373 B8R0.11 CCN(CC)CCCO 42a98906d6288c2f3b8e1f496b44c79c [0,2,0,0,0,0|1,0,1]=4 1374 B8R0.11 CCN(CF)CCCO c21bda18136a85af5aca8b69c4fd8697 [0,2,0,0,0,0|1,0,1]=4 1375 B8R0.11 CCN(CO)CCCO d64066af2c2ce0c75da14a6fbb0a40e0 [0,2,0,0,0,0|1,0,1]=4 1376 B8R0.11 CCNCC(CC)CO af6af2e10d8202238ef5944a294c025c [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.11 CCNCC(CO)CO 78f9a8f41e658c533084dd84cea09cea [0,2,0,0,0,0|1,0,1]=4 1378 B8R0.11 CCNC[C@H](CO)OC f1b838e35b3971f2096ee819dd16e94f [0,2,0,0,0,0|1,0,1]=4 1379 B8R0.11 CC[C@@H](CO)NCCO 7b93a39872b6551b532bd6e8bbd5ec65 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.11 CC[C@H](CO)NCCO e3d68c99acf76f3a4f2f6310cbcd4548 [0,2,0,0,0,0|1,0,1]=4 1381 B8R0.19 CC(CO)NC(=O)CF ef2266eb5061b2bffbd30285b120264a [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.19 CC(CO)NC(=O)CS 4ca68b24b40823bba6f492cc34b6d41b [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,2,0,0,0,0|1,0,0]=3 1386 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,2,0,0,0,0|2,0,0]=4 1387 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,2,0,0,0,0|1,0,0]=3 1388 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,2,0,0,0,0|2,0,0]=4 1389 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,2,0,0,0,0|1,0,0]=3 1390 B8R0.19 CCC(C)NC(C)CO 39c372ea4cef1456332b0e4a891f2be4 [0,2,0,0,0,0|1,0,1]=4 1391 B8R0.19 CCC(C)N[C@@H](C)CO 03a0460ae5de8db8276fc6c4f3d9cea4 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.19 CCC(C)N[C@H](C)CO 9839a5c86ff60244cdc275d1b4d9331f [0,2,0,0,0,0|1,0,1]=4 1393 B8R0.19 CCN(C)CC(C)CO 57aed0ddb41a49ac36f9f8539801655e [0,2,0,0,0,0|1,0,1]=4 1394 B8R0.19 CCN(C)CC(O)CO 1d1312ada3c341da8de27cc3789abca2 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.19 CCN(C)C[C@@H](C)CO ddade9d6e3ba337d6b393a00c773647d [0,2,0,0,0,0|1,0,1]=4 1396 B8R0.19 CCN(C)C[C@@H](O)CO e64e4131d671816539b2429b245cd316 [0,2,0,0,0,0|1,0,1]=4 1397 B8R0.19 CCN(C)C[C@H](C)CO 0a9476f9cc602f73744eac4366c36b7c [0,2,0,0,0,0|1,0,1]=4 1398 B8R0.19 CCN(C)C[C@H](O)CO f45fa40fd7de9da18f9df806f59986f2 [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.19 CC[C@@H](C)NC(C)CO 18ed6fc25b8c14c4191fbfb8a29f3353 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.19 CC[C@@H](C)N[C@@H](C)CO 007782dc3ac7f491d3f6b8d8f3339b58 [0,2,0,0,0,0|1,0,1]=4 1401 B8R0.19 CC[C@@H](C)N[C@H](C)CO b5aae793b89cbba911f055e04d55acb2 [0,2,0,0,0,0|1,0,1]=4 1402 B8R0.19 CC[C@H](C)NC(C)CO 3726c8f35150bd5080044acffa8a570c [0,2,0,0,0,0|1,0,1]=4 1403 B8R0.19 CC[C@H](C)N[C@@H](C)CO 762e9a16ea4b3bc73b0f3048e55d1b5d [0,2,0,0,0,0|1,0,1]=4 1404 B8R0.19 CC[C@H](C)N[C@H](C)CO 3fb6e84edfa80d94f40bae64bba9a957 [0,2,0,0,0,0|1,0,1]=4 1405 B8R0.19 C[C@@H](CO)NC(=O)CF 2c1d0a1ab5fcd3bc348406e1eae8d857 [0,2,0,0,0,0|2,0,0]=4 1406 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.19 C[C@@H](CO)NC(=O)CS ecb25931c5ecf30a1072b0ef0c850951 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.19 C[C@H](CO)NC(=O)CF 47adba76c977441bf582f65bebd39947 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,2,0,0,0,0|2,0,0]=4 1410 B8R0.19 C[C@H](CO)NC(=O)CS ecf3d50d57e6bb41773d96b1c96ed61c [0,2,0,0,0,0|2,0,0]=4 1411 B8R0.25 CCC(C)(C)NCCO 1fa36b153325fd426754ac4f6e4f58df [0,2,0,0,0,0|1,0,1]=4 1412 B8R0.25 CCCNC(C)(C)CO c96a4e510c92aa5860ad36e87296bdd6 [0,2,0,0,0,0|1,0,1]=4 1413 B8R0.25 CCNCC(C)(C)CO bbeaca4ba81ce071724a83e21aca8027 [0,2,0,0,0,0|1,0,1]=4 1414 B8R0.25 CCNCC(F)(F)CO 80507197384783550828cb1e2a3dc324 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.5 CC(C)CN(C)CCO 88c09d521cd5d8864d09de40f53a5749 [0,2,0,0,0,0|1,0,1]=4 1416 B8R0.5 CC(C)NC(C)CCO 9e72e2294640a5a5bdd47c8c15fa6ebc [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.5 CC(C)N[C@@H](C)CCO f00801b59b355a8660dff24ba4f60f20 [0,2,0,0,0,0|1,0,1]=4 1418 B8R0.5 CC(C)N[C@H](C)CCO 17f4d157c114d55502ca3004b5471931 [0,2,0,0,0,0|1,0,1]=4 1419 B8R0.5 CC(O)CN(C)CCO b8c93809fd363b893059df214df9a71f [0,2,0,0,0,0|1,0,1]=4 1420 B8R0.5 CCCC(=S)OC(C)C 79ff90d7e7d68c5664ea5acd6b8154a5 [0,2,0,0,0,0|2,0,0]=4 1421 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,2,0,0,0,0|1,0,1]=4 1422 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,2,0,0,0,0|1,0,1]=4 1424 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,2,0,0,0,0|1,0,1]=4 1425 B8R0.5 C[C@@H](O)CN(C)CCO b2075f300e9096bf9f56060a06fe5fff [0,2,0,0,0,0|1,0,1]=4 1426 B8R0.5 C[C@H](O)CN(C)CCO 3ac89c90dc792061538bdb13c697b5b7 [0,2,0,0,0,0|1,0,1]=4 1427 B8R0.21 CC(C)(C)CNCCO 1969be2a44e089e2071e08e64ddba8c7 [0,2,0,0,0,0|1,0,1]=4 1428 B8R0.21 CC(C)(C)NCCCO b161af4e0b232ec3e3dd48a4f93f64fd [0,2,0,0,0,0|1,0,1]=4 1429 B8R0.21 CC(C)(F)CNCCO 3ffdcadd4c4375266f1503c3a0acf28f [0,2,0,0,0,0|1,0,1]=4 1430 B8R0.21 CC(C)(O)CNCCO 01ce85d4a372c912a8dbff055728e440 [0,2,0,0,0,0|1,0,1]=4 1431 B8R0.21 CC(F)(F)CNCCO 070c06b0a13ad169dd96db3d5478c556 [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.21 CCCNCC(C)(C)O 18de978f243abf958b8fb4be676e0386 [0,2,0,0,0,0|1,0,1]=4 1433 B8R0.21 CCCOCC(C)(C)O 1864f457114911e4333323706aaf3c13 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.21 CCNCCC(C)(C)O 7d616527998e37b4e6709c30ce776bec [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.28 CC(C)CNCC(C)O f8d531c214571702a8653351806334e8 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.28 CC(C)CNC[C@@H](C)O 4626559d474fbd5d133e353e8138e591 [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.28 CC(C)CNC[C@H](C)O 5c0fd92b864c5a52f9fd6fbeaf433485 [0,2,0,0,0,0|1,0,1]=4 1438 B8R0.28 CC(C)NCC[C@@H](C)O 22fd34c721310950afa2eb5fa7b9be25 [0,2,0,0,0,0|1,0,1]=4 1439 B8R0.28 CC(C)NCC[C@H](C)O 49b6367cd8f92ec1d9eb4f55dcad194e [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.28 CC(O)CCNC(C)C c17e7a58f1e2a686463daf8ba7d1a0e5 [0,2,0,0,0,0|1,0,1]=4 1441 B8R0.28 CC(O)CNCC(C)O 4a2a1f1df64d323049b6cc3bed5f7eec [0,2,0,0,0,0|1,0,1]=4 1442 B8R0.28 CC(O)CNC[C@@H](C)O a13654c0e0b2e8824a94b55cc885b895 [0,2,0,0,0,0|1,0,1]=4 1443 B8R0.28 CC(O)CNC[C@H](C)O bb487d5d5b847c9d75f817219d3b7658 [0,2,0,0,0,0|1,0,1]=4 1444 B8R0.28 C[C@@H](O)CNC[C@@H](C)O 16696c158ac89d0a205b741acfd241ab [0,2,0,0,0,0|1,0,1]=4 1445 B8R0.28 C[C@H](O)CNC[C@@H](C)O f1681b429c26c45959758bad686c97ff [0,2,0,0,0,0|1,0,1]=4 1446 B8R0.28 C[C@H](O)CNC[C@H](C)O bcf7a2c6e4dddb3906509a8f040e6475 [0,2,0,0,0,0|1,0,1]=4 1447 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,2,0,0,0,0|1,0,1]=4 1448 B8R0.22 CCCN(CC)CCO e12c7b9084df978bc76507edd9bb317c [0,2,0,0,0,0|1,0,1]=4 1449 B8R0.22 CCCN(CF)CCO 947883a1ea303d435cd0024eececcb8b [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.22 CCCN(CO)CCO a9884a3b6c19ddd60ead7c1eabb3daee [0,2,0,0,0,0|1,0,1]=4 1451 B8R0.22 CCNC(CO)CCO 236b212c9afd3f6159230d9b4b9c0ea7 [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.22 CCN[C@@H](CO)CCO e7b1ee3f6445a52557c502ec712e1ce8 [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.30 CCNC(C)(C)CCO fda6997d311c221bbc76b59309e8c52f [0,2,0,0,0,0|1,0,1]=4 1454 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [1,0,0,1,0,0|1,0,1]=4 1455 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [1,0,0,1,0,0|1,0,1]=4 1456 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [1,0,0,1,0,0|1,0,1]=4 1457 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,1,0,0|1,0,1]=4 1458 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [1,0,0,1,0,0|1,0,1]=4 1459 B8R1.2 CCN1CC=CCC1 0dfc6382e2eb71bb203dc8f8c11fc3a7 [0,1,0,1,0,0|1,0,0]=3 1460 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,1,0,1,0,0|1,0,1]=4 1461 B8R1.2 FCN1CC=CCC1 401ca9aa2f450f72776a775dc9b905eb [0,1,0,1,0,0|1,0,0]=3 1462 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,1,0,0|0,0,2]=4 1463 B8R1.2 OCN1CC=CCC1 62ece6a5f9d8ed840fd2002de05e26aa [0,1,0,1,0,0|0,0,0]=2 1464 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,1,0,1,0,0|1,0,1]=4 1465 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,1,0,0|1,0,1]=4 1466 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,1,0,1,0,0|1,0,1]=4 1467 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,1,0,0|1,0,1]=4 1468 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [0,1,0,1,0,0|1,0,1]=4 1469 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [0,1,0,1,0,0|1,0,1]=4 1470 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [0,1,0,1,0,0|1,0,1]=4 1471 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [0,1,0,1,0,0|1,0,1]=4 1472 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,1,0,1,0,0|1,0,0]=3 1473 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,1,0,1,0,0|0,0,2]=4 1474 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,1,0,1,0,0|1,0,1]=4 1475 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,1,0,1,0,0|1,0,1]=4 1476 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,1,0,1,0,0|1,0,1]=4 1477 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [0,1,0,1,0,0|0,0,2]=4 1478 B8R1.8 FCOC1C=CCC1 9fec25c0ebf5ce1b96c88649717611cf [0,1,0,1,0,0|1,0,0]=3 1479 B8R1.8 OCCN1CC=CC1 d8348ec800744cd0d63d462c0c3539da [0,1,0,1,0,0|0,0,2]=4 1480 B8R1.8 OCCN1CCSC1 67a404917dcee6f4aa03a761c726b678 [0,1,0,1,0,0|1,0,1]=4 1481 B8R1.8 OCNC1CC=CC1 9c22df50844f066c11f1cd68877452aa [0,1,0,1,0,0|0,0,2]=4 1482 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,1,0,1,0,0|0,0,2]=4 1483 B8R1.8 OCNC1CCOC1 2fc8497bfce18cddcd2256e4a71178b1 [0,1,0,1,0,0|1,0,1]=4 1484 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,1,0,1,0,0|1,0,1]=4 1485 B8R1.8 OCN[C@@H]1CCOC1 6debdc226aca736be6aa7594d0bc0c90 [0,1,0,1,0,0|1,0,1]=4 1486 B8R1.8 OCN[C@H]1CCOC1 30751a1a06fdde461d2f17b22a6d40ea [0,1,0,1,0,0|1,0,1]=4 1487 B8R1.9 CC1CC1NCCO 4cde00481925a0824f1034e8ce0d4ec3 [0,1,0,1,0,0|0,0,2]=4 1488 B8R1.9 OCCN[C@@H]1C[C@H]1F 1b75a1b15b85c71d1ae7189da4b08d35 [0,1,0,1,0,0|1,0,1]=4 1489 B8R1.9 OCCN[C@H]1C[C@@H]1F fff94f1987a2782cf968b7db00149a76 [0,1,0,1,0,0|1,0,1]=4 1490 B8R1.9 OCCN[C@H]1C[C@H]1F 706ee184d6680808da5b282894b8be7e [0,1,0,1,0,0|1,0,1]=4 1491 B8R1.10 CCCNC1COC1 921f8c35ddc25c301dc3c1bb5c0fe6b6 [0,1,0,1,0,0|1,0,1]=4 1492 B8R1.10 CCCOC1COC1 cec208fe33e8a6631cedc1d889971cbc [0,1,0,1,0,0|1,0,1]=4 1493 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,1,0,1,0,0|0,0,2]=4 1494 B8R1.10 CCNCC1COC1 c663ad802a406e195607fd1aba5b3023 [0,1,0,1,0,0|1,0,1]=4 1495 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,1,0,1,0,0|0,0,2]=4 1496 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,1,0,1,0,0|0,0,2]=4 1497 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,1,0,1,0,0|0,0,2]=4 1498 B8R1.10 CCOCC1COC1 621a8da02f0fe0ab29cada8705175bfc [0,1,0,1,0,0|1,0,1]=4 1499 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,1,0,1,0,0|0,0,2]=4 1500 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,1,0,1,0,0|0,0,2]=4 1501 B8R1.10 COCCN1CCC1 e94ebefbab355261b351bf6278fb2861 [0,1,0,1,0,0|1,0,1]=4 1502 B8R1.10 OCCCN1CCC1 9c6f6bdabd0b2602126e7a24b406e0df [0,1,0,1,0,0|0,0,2]=4 1503 B8R1.10 OCCNC1CCC1 5fc98dae4c4d961193ac3b840bca29d5 [0,1,0,1,0,0|0,0,2]=4 1504 B8R1.10 OCCNC1COC1 25b9e126063b76a062533df6c23b3bac [0,1,0,1,0,0|1,0,1]=4 1505 B8R1.10 OCNCC1CCC1 0c7f906c5d119c07af5d18a3e17be827 [0,1,0,1,0,0|0,0,2]=4 1506 B8R1.10 OCNCC1CCO1 7a110527d20698bde50f934bce3d4932 [0,1,0,1,0,0|1,0,1]=4 1507 B8R1.10 OCNC[C@@H]1CCO1 b20041b30672ace5c27bbb9dda06cfc8 [0,1,0,1,0,0|1,0,1]=4 1508 B8R1.10 OCNC[C@H]1CCO1 fcef914adea36da0d3a6586531fd1531 [0,1,0,1,0,0|1,0,1]=4 1509 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,1,0,1,0,0|0,0,2]=4 1510 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,1,0,1,0,0|1,0,1]=4 1511 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,1,0,1,0,0|0,0,2]=4 1512 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,1,0,1,0,0|0,0,2]=4 1513 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,1,0,1,0,0|0,0,2]=4 1514 B8R1.12 CCC1CCN1CO caf0ac1fced23c53f6877050d9fa7187 [0,1,0,1,0,0|0,0,2]=4 1515 B8R1.12 CCN1CCC1CO 4a86a7023e5eed3f4bee98bf807599f5 [0,1,0,1,0,0|0,0,2]=4 1516 B8R1.12 CCN1CC[C@@H]1CO 889ccfb257cad18d8dd60c85bff286ee [0,1,0,1,0,0|0,0,2]=4 1517 B8R1.12 CCN1CC[C@H]1CO 7975cca06fafca3d5a4bc8349f95250e [0,1,0,1,0,0|0,0,2]=4 1518 B8R1.13 CC1OCC1NCO 9cfb96188a625e9112cbf03494a5058b [0,1,0,1,0,0|1,0,1]=4 1519 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,1,0,1,0,0|0,0,2]=4 1520 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,1,0,1,0,0|0,0,2]=4 1521 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,1,0,1,0,0|0,0,2]=4 1522 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,1,0,1,0,0|0,0,2]=4 1523 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,1,0,1,0,0|0,0,2]=4 1524 B8R1.13 C[C@@H]1CC[C@@H]1NCO 2960d592a0e513b93c75efb384f4f549 [0,1,0,1,0,0|0,0,2]=4 1525 B8R1.13 C[C@@H]1CC[C@H]1NCO 451b99fc958d625f841e0dfd131356c8 [0,1,0,1,0,0|0,0,2]=4 1526 B8R1.17 CCN[C@@H]1C[C@@H]1OC ad259a5443520644deb60f8f52443384 [0,1,0,1,0,0|1,0,1]=4 1527 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,1,0,1,0,0|0,0,2]=4 1528 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,1,0,1,0,0|0,0,2]=4 1529 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,1,0,1,0,0|0,0,2]=4 1530 B8R1.36 COCCNC1CC1 c729e1cfce019cc13b46a8e9bfa7aec8 [0,1,0,1,0,0|1,0,1]=4 1531 B8R1.36 COCCOC1CC1 bd93b00ba0625a0a13902f72530e30b8 [0,1,0,1,0,0|1,0,1]=4 1532 B8R1.36 NOCCNC1CC1 9f8c2a121e0873d0e9dfff394ed4332a [0,1,0,1,0,0|1,0,1]=4 1533 B8R1.36 OCCCNC1CC1 09931d07909b5768c57fdc7cacffbc09 [0,1,0,1,0,0|0,0,2]=4 1534 B8R1.36 OCCNCC1CC1 e183fb3059537384ed4e22fe2e99ba8b [0,1,0,1,0,0|0,0,2]=4 1535 B8R1.36 OCNCCC1CC1 9ac5f3dcb18a653ec6a09bfee9d0670c [0,1,0,1,0,0|0,0,2]=4 1536 B8R1.36 OCNCCN1CC1 1e079d207f2aca4c808ddaac4239bf20 [0,1,0,1,0,0|1,0,1]=4 1537 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,1,0,1,0,0|1,0,1]=4 1538 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,1,0,1,0,0|1,0,1]=4 1539 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,1,0,1,0,0|1,0,1]=4 1540 B8R1.38 CC(CO)N1CCC1 17406c9203d8e72d48f6ddab3efe5d12 [0,1,0,1,0,0|1,0,1]=4 1541 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,1,0,1,0,0|2,0,0]=4 1542 B8R1.38 C[C@@H](CO)N1CCC1 a5183cd4689b71df517e19607edfa1f6 [0,1,0,1,0,0|1,0,1]=4 1543 B8R1.38 C[C@H](CO)N1CCC1 1eed403494a16ee2f239b1a58a50fdd6 [0,1,0,1,0,0|1,0,1]=4 1544 B8R1.40 CC(CO)NC1CC1 f6311cf67b6ba2204bab0dbb44a50bbc [0,1,0,1,0,0|1,0,1]=4 1545 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,1,0,1,0,0|2,0,0]=4 1546 B8R1.40 C[C@@H](CO)NC1CC1 7e427586366729fe4f61e71114561a17 [0,1,0,1,0,0|1,0,1]=4 1547 B8R1.40 C[C@H](CO)NC1CC1 3cceec23b2cf4de9d69e8ea47c15666a [0,1,0,1,0,0|1,0,1]=4 1548 B8R1.41 CC1(CC1)NCCO 89f12072d3eaefb89baf0608eaf9d663 [0,1,0,1,0,0|1,0,1]=4 1549 B8R1.47 CCN1CC(C1)CO 56dc2e706ae8aa4ebe5fced484d83567 [0,1,0,1,0,0|1,0,1]=4 1550 B8R1.6 CCCN1CC(C1)O 6960d1c76fc6bee2104d2cc7da6d53cb [0,1,0,1,0,0|1,0,1]=4 1551 B8R1.6 CCNC1CC(C1)O ff109cf0f4e20ca9c93dd5c4ca790b90 [0,1,0,1,0,0|1,0,1]=4 1552 B8R1.6 CCN[C@H]1C[C@@H](C1)O ff7552bab4d1f2f4dc4f733d9dc54eaf [0,1,0,1,0,0|1,0,1]=4 1553 B8R1.6 CCN[C@H]1C[C@H](C1)O 951190e7ba8081e7d4167c17721dec43 [0,1,0,1,0,0|1,0,1]=4 1554 B8R1.6 OCCN1CC(C1)F d55063a3076749ca64ae7b6aacb275a7 [0,1,0,1,0,0|1,0,1]=4 1555 B8R1.6 OCCN1CC(C1)O 7988eb128069a838027fb79c231cc8f2 [0,1,0,1,0,0|1,0,1]=4 1556 B8R1.27 CC1(CN1CCO)C 617d1ee8716018a9f67b571bc1788b25 [0,1,0,1,0,0|1,0,1]=4 1557 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [0,1,0,1,0,0|1,0,1]=4 1558 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [0,1,0,1,0,0|1,0,1]=4 1559 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [0,1,0,1,0,0|1,0,1]=4 1560 B8R1.35 CC(O)CNC1CC1 b9f250bd72bb55f49d088ac67e0cb3d1 [0,1,0,1,0,0|1,0,1]=4 1561 B8R1.35 C[C@@H](O)CNC1CC1 d465ff1ec8c8ef18904ed72be45bd6db [0,1,0,1,0,0|1,0,1]=4 1562 B8R1.35 C[C@H](O)CNC1CC1 689794ac138a6a9d1241373cb177f81d [0,1,0,1,0,0|1,0,1]=4 1563 B8R1.37 CN(CCO)C1CC1 80457e02321af0fbdb8d8ff6f9046346 [0,1,0,1,0,0|1,0,1]=4