0 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCNCOC 731060b1cc2efa280089844c9f08cb4b [0,0,0,0,0,0|2,1,1]=4 2 B6R0.6 C#CCNCSC 69915d57a8223b03b8361fb9c38f7a03 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,0,0,0,0,0|2,1,1]=4 4 B6R0.6 C#CCOCOC 8c9553a6f766e25bc5c8f801bbc89cc1 [0,0,0,0,0,0|1,2,1]=4 5 B6R0.6 C#CCOCSC 52002a13a3c2019ebe79ada1718575f3 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,0,0,0,0,0|1,2,1]=4 9 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,0,0,0,0,0|4,0,0]=4 14 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,0,0,0,0,0|2,1,0]=3 20 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,0,0,0,0,0|3,1,0]=4 22 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,0,0,0,0|3,1,0]=4 23 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,0,0,0,0,0|2,1,0]=3 24 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,0,0,0,0,0|3,1,0]=4 25 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,0,0,0,0,0|3,1,0]=4 26 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,0,0,0,0,0|1,2,0]=3 27 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,0,0,0,0,0|1,1,0]=2 28 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,0,0,0,0,0|3,1,0]=4 29 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,0,0,0,0,0|3,1,0]=4 31 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 COCNCC#N d7534ed2d124b74839dfe7c51cb3eb01 [0,0,0,0,0,0|3,1,0]=4 33 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [0,0,0,0,0,0|3,1,0]=4 34 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [0,0,0,0,0,0|3,1,0]=4 35 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [0,0,0,0,0,0|3,1,0]=4 36 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [0,0,0,0,0,0|3,1,0]=4 37 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [0,0,0,0,0,0|3,1,0]=4 38 B6R0.6 COCOCC#N 764be25d1fe6d7509c53a5289ba9b4c6 [0,0,0,0,0,0|2,2,0]=4 39 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,0,0,0,0|2,2,0]=4 40 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [0,0,0,0,0,0|2,2,0]=4 41 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [0,0,0,0,0,0|2,2,0]=4 42 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [0,0,0,0,0,0|0,3,0]=3 43 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [0,0,0,0,0,0|0,2,0]=2 44 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [0,0,0,0,0,0|4,0,0]=4 45 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.6 CSCNCC#N 078cbee6de3daa83b37e1cc1437722ce [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 CSCNCCBr bcad065c861badf94807934e6680f65f [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 CSCNCCF 80c1e887cd7ee5f3261a9c98dd841f62 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 CSCNCCI d531c5e507282acb11ff5d835981aa6c [0,0,0,0,0,0|3,0,0]=3 53 B6R0.6 CSCNCCO e6ff3afea97e31bf42a862cf845047cf [0,0,0,0,0,0|3,0,0]=3 54 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.6 CSCOCC#N 86a9322be62d2f60d6a769d9f5959c98 [0,0,0,0,0,0|2,1,0]=3 56 B6R0.6 CSCOCCF 79adbc24d28c875ba839b99727b1e512 [0,0,0,0,0,0|2,1,0]=3 57 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [0,0,0,0,0,0|2,1,0]=3 58 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|1,1,1]=4 60 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|2,1,0]=4 63 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|1,1,0]=3 64 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,1,0]=4 65 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|3,0,0]=4 69 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,1,0]=4 72 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,1,0]=4 73 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|2,1,0]=4 74 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|0,2,0]=3 75 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,0,0,0,0,0|1,2,0]=4 76 B5R0.2 CSCNC#N dd90c86c89ce5a99a45720112f2e07ec [1,0,0,0,0,0|2,0,1]=4 77 B7R0.1 C#CCCNCSC 24780502d7fb634d7ea44608e3cda9c1 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.1 C#CCCOCSC 7be39892afd4ef79dc2d978280d82788 [0,1,0,0,0,0|1,1,1]=4 79 B7R0.1 C#CCNCCSC 7293bf2b9aa9b78de8f9c249a2d32afe [0,1,0,0,0,0|2,0,1]=4 80 B7R0.1 C#CCOCCSC 435ea744643c84b597b66146e288d476 [0,1,0,0,0,0|1,1,1]=4 81 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,0,0,0,0|2,1,0]=4 83 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,1,0,0,0,0|1,2,0]=4 84 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,1,0,0,0,0|1,1,0]=3 85 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,0,0,0,0|2,1,0]=4 87 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,1,0,0,0,0|1,2,0]=4 88 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,1,0,0,0,0|1,1,0]=3 89 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,1,0,0,0,0|1,1,1]=4 93 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.1 CC#CCNCOC 042e745fd5ae3e3c4d0e3df28f36462d [0,1,0,0,0,0|2,1,0]=4 95 B7R0.1 CC#CCNCSC 41e4339950850a850e6af84422ffa207 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [0,1,0,0,0,0|2,1,0]=4 97 B7R0.1 CC#CCOCOC fdc903f30b2a7cefcf2b0a9cb74d111f [0,1,0,0,0,0|1,2,0]=4 98 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [0,1,0,0,0,0|1,1,0]=3 99 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,0,0,0,0|3,0,0]=4 100 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,1,0,0,0,0|2,1,0]=4 101 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,0,0,0,0|2,1,0]=4 103 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,1,0,0,0,0|1,2,0]=4 104 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,1,0,0,0,0|1,1,0]=3 105 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [0,1,0,0,0,0|2,1,0]=4 109 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [0,1,0,0,0,0|2,1,0]=4 110 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [0,1,0,0,0,0|2,1,0]=4 112 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [0,1,0,0,0,0|2,1,0]=4 114 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [0,1,0,0,0,0|1,2,0]=4 115 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [0,1,0,0,0,0|1,1,0]=3 116 B7R0.1 CCCNCCCCl 05aad0ada33ce1df42fe1d1576685bfa [0,1,0,0,0,0|3,0,0]=4 117 B7R0.1 CCCNCCCF 5d767cf9963f4f908c6ad9d2f041592c [0,1,0,0,0,0|3,0,0]=4 118 B7R0.1 CCCNCCCO 600eb878efec79e60bf3b2a8b60d23ae [0,1,0,0,0,0|3,0,0]=4 119 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [0,1,0,0,0,0|3,0,0]=4 120 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [0,1,0,0,0,0|2,1,0]=4 121 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [0,1,0,0,0,0|2,1,0]=4 123 B7R0.1 CCCNCSC#N 13544467129ba8b8d400327b8930a043 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [0,1,0,0,0,0|2,1,0]=4 125 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [0,1,0,0,0,0|2,1,0]=4 126 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [0,1,0,0,0,0|1,2,0]=4 127 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [0,1,0,0,0,0|1,1,0]=3 128 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [0,1,0,0,0,0|1,2,0]=4 129 B7R0.1 CCCOCSC#N 8be972fdc3f8d6a5b275bb3b76884793 [0,1,0,0,0,0|1,1,1]=4 130 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [0,1,0,0,0,0|2,1,0]=4 131 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [0,1,0,0,0,0|2,0,0]=3 132 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [0,1,0,0,0,0|1,2,0]=4 134 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [0,1,0,0,0,0|1,1,0]=3 135 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [0,1,0,0,0,0|3,0,0]=4 136 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [0,1,0,0,0,0|0,3,0]=4 137 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [0,1,0,0,0,0|2,1,0]=4 138 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [0,1,0,0,0,0|2,1,0]=4 139 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [0,1,0,0,0,0|1,2,0]=4 140 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [0,1,0,0,0,0|1,2,0]=4 141 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [0,1,0,0,0,0|1,1,0]=3 142 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [0,1,0,0,0,0|0,3,0]=4 143 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [0,1,0,0,0,0|0,2,0]=3 144 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [0,1,0,0,0,0|2,1,0]=4 145 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [0,1,0,0,0,0|2,1,0]=4 146 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [0,1,0,0,0,0|1,1,0]=3 147 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [0,1,0,0,0,0|1,2,0]=4 148 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [0,1,0,0,0,0|1,2,0]=4 149 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [0,1,0,0,0,0|0,2,0]=3 150 B7R0.1 COCOCSC#N 0c9b20ee0edf8e72d92feb1a92a51768 [0,1,0,0,0,0|0,2,1]=4 151 B7R0.1 CSCCCNC#N 29e7c3d9663c361da4f524d97528f957 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [0,1,0,0,0,0|2,0,0]=3 154 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [0,1,0,0,0,0|2,0,0]=3 155 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [0,1,0,0,0,0|1,1,0]=3 156 B7R0.1 CSCCNCC#N ca692066b238f6a34d0bef0e2933c568 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [0,1,0,0,0,0|3,0,0]=4 159 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [0,1,0,0,0,0|3,0,0]=4 160 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [0,1,0,0,0,0|3,0,0]=4 161 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [0,1,0,0,0,0|3,0,0]=4 163 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [0,1,0,0,0,0|1,0,0]=2 164 B7R0.1 CSCCOCC#N 60b29e5b38003acb06d04b0849bbc3aa [0,1,0,0,0,0|2,1,0]=4 165 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,0,0,0,0|2,1,0]=4 166 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [0,1,0,0,0,0|2,1,0]=4 167 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [0,1,0,0,0,0|2,1,0]=4 168 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [0,1,0,0,0,0|0,1,0]=2 169 B7R0.1 CSCNCCC#N eb7c18cf854451f5500c3dd1bd6398f5 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.1 CSCNCCCCl 51dabe46130ddcc5de8ce75223aaf6fb [0,1,0,0,0,0|2,0,0]=3 171 B7R0.1 CSCNCCCO f55eebe3b8375230b40b6450474c6b2b [0,1,0,0,0,0|2,0,0]=3 172 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [0,1,0,0,0,0|2,1,0]=4 173 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,1,0,0,0,0|1,1,1]=4 174 B7R0.1 CSCOCC#CI 9f660a7c871ae23c41d42172fc52f0ba [0,1,0,0,0,0|1,1,1]=4 175 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,1,0,0,0,0|1,1,1]=4 176 B7R0.1 CSCOCCC#N 49194787fe7da60bddbd554c64dc7b5a [0,1,0,0,0,0|1,1,1]=4 177 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,0,0,0,0|1,1,1]=4 178 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [0,1,0,0,0,0|1,1,0]=3 179 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [0,1,0,0,0,0|1,1,0]=3 180 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,1,0,0,0,0|2,0,1]=4 181 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,1,0,0,0,0|1,1,1]=4 182 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,1,0,0,0,0|2,0,1]=4 183 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,1,0,0,0,0|1,1,1]=4 184 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,1,0,0,0,0|2,0,1]=4 185 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,1,0,0,0,0|1,1,1]=4 186 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,0,0,0,0|2,0,1]=4 187 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|1,1,1]=4 188 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|1,1,1]=4 189 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,1,0,0,0,0|2,1,0]=4 190 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,1,0,0,0,0|2,0,0]=3 191 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,1,0,0,0,0|1,2,0]=4 192 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,1,0,0,0,0|1,1,0]=3 193 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|2,1,0]=4 197 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|2,1,0]=4 198 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|2,1,0]=4 199 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,1,0,0,0,0|2,1,0]=4 201 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,1,0,0,0,0|1,2,0]=4 203 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,1,0,0,0,0|1,1,0]=3 204 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,1,0,0,0,0|2,1,0]=4 205 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,1,0,0,0,0|2,0,0]=3 206 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,1,0,0,0,0|1,2,0]=4 207 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,1,0,0,0,0|1,1,0]=3 208 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,1,0,0,0,0|3,0,0]=4 211 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|2,1,0]=4 213 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,1,0,0,0,0|2,1,0]=4 214 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,1,0,0,0,0|2,1,0]=4 215 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,1,0,0,0,0|2,1,0]=4 216 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,1,0,0,0,0|1,1,1]=4 218 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,1,0,0,0,0|2,1,0]=4 220 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,1,0,0,0,0|2,0,0]=3 221 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|2,1,0]=4 222 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,1,0,0,0,0|1,2,0]=4 223 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,1,0,0,0,0|1,1,0]=3 224 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,1,0,0,0,0|1,1,1]=4 225 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,1,0,0,0,0|1,1,1]=4 226 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,1,0,0,0,0|1,1,1]=4 227 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|3,0,0]=4 230 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [0,1,0,0,0,0|3,0,0]=4 231 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|3,0,0]=4 232 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|2,1,0]=4 234 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,1,0,0,0,0|2,1,0]=4 235 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,1,0,0,0,0|2,1,0]=4 236 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,1,0,0,0,0|2,1,0]=4 237 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [0,1,0,0,0,0|2,1,0]=4 238 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,1,0,0,0,0|2,1,0]=4 239 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,1,0,0,0,0|2,1,0]=4 240 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,0,0,0,0|2,1,0]=4 241 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,1,0,0,0,0|2,1,0]=4 242 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,1,0,0,0,0|2,1,0]=4 243 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,1,0,0,0,0|2,1,0]=4 244 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,1,0,0,0,0|2,1,0]=4 245 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,0,0,0,0|1,2,0]=4 246 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,1,0,0,0,0|1,2,0]=4 247 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,1,0,0,0,0|1,2,0]=4 248 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,1,0,0,0,0|1,2,0]=4 249 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,1,0,0,0,0|1,2,0]=4 250 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,1,0,0,0,0|1,2,0]=4 251 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,1,0,0,0,0|1,2,0]=4 252 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,1,0,0,0,0|3,0,0]=4 255 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|3,0,0]=4 257 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.4 CSCNCC(F)F 7cb9fe23842b0dbd8a2ee023dae4c181 [0,1,0,0,0,0|3,0,0]=4 261 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,1,0,0,0,0|2,0,0]=3 262 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|1,1,0]=3 264 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|2,1,0]=4 265 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|2,1,0]=4 266 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,1,0,0,0,0|2,1,0]=4 267 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,1,0,0,0,0|1,1,0]=3 268 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,1,0,0,0,0|1,1,0]=3 269 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,1,0,0,0,0|1,1,0]=3 270 B7R0.4 CSCOCC(F)F f5224cd0f16a5565a48a0766b0edd0b9 [0,1,0,0,0,0|2,1,0]=4 271 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,1,0,0,0,0|1,1,1]=4 272 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,1,0,0,0,0|1,1,0]=3 273 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,1,0,0,0,0|1,1,0]=3 274 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [0,1,0,0,0,0|2,0,1]=4 275 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,1,0,0,0,0|2,0,1]=4 276 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,1,0,0,0,0|3,0,0]=4 277 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,1,0,0,0,0|2,1,0]=4 278 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,1,0,0,0,0|2,0,0]=3 279 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,1,0,0,0,0|3,0,0]=4 280 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,1,0,0,0,0|3,0,0]=4 283 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,0,0,1,0,0|3,0,0]=4 284 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,0,0,1,0,0|3,0,0]=4 286 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [0,0,0,1,0,0|2,1,0]=4 287 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,0,0,1,0,0|2,1,0]=4 290 B7R1.7 COCNC1CC1 2800df33eaeca479e7ad5159beea729f [0,0,0,1,0,0|2,1,0]=4 291 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,0,0,1,0,0|1,2,0]=4 292 B7R1.7 CSCNC1CC1 0c824667fb972af505e34e3d4012a12e [0,0,0,1,0,0|2,0,0]=3 293 B7R1.7 CSCOC1CC1 31d94a402b0c255e4d0b0577bbb73612 [0,0,0,1,0,0|1,1,0]=3 294 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,1,0,0,0,0|2,0,0]=4 295 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [1,1,0,0,0,0|1,1,0]=4 296 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|1,0,0]=3 297 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,1,0,0,0,0|2,0,0]=4 299 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,1,0,0,0,0|1,1,0]=4 301 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,1,0,0,0,0|1,1,0]=4 302 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,1,0,0,0,0|1,1,0]=4 303 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 304 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|1,1,0]=4 305 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,1,0]=4 307 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|2,0,0]=4 309 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|1,1,0]=4 313 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,1,0]=4 314 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|1,1,0]=4 315 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|1,1,0]=4 316 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|1,1,0]=4 317 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|1,1,0]=4 318 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,1,0,0,0,0|0,2,0]=4 319 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|0,1,0]=3 320 B8R0.1 C/C=C/C(C)OCSC 7bd1b57eaf0e1c7256baeb02ffe2e648 [0,2,0,0,0,0|1,1,0]=4 321 B8R0.1 CC#CC(C)OCSC 6963deff620e62d385872d8fba480a5f [0,2,0,0,0,0|1,1,0]=4 322 B8R0.1 CC=CC(C)OCSC 649acf68090c01608c547993a8bbff15 [0,2,0,0,0,0|1,1,0]=4 323 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,2,0,0,0,0|1,1,0]=4 324 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,2,0,0,0,0|2,0,0]=4 325 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,2,0,0,0,0|1,1,0]=4 326 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,2,0,0,0,0|2,0,0]=4 327 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,2,0,0,0,0|2,0,0]=4 328 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,2,0,0,0,0|1,1,0]=4 330 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,2,0,0,0,0|1,1,0]=4 331 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,2,0,0,0,0|1,1,0]=4 333 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,2,0,0,0,0|1,1,0]=4 334 B8R0.1 COCC(C)NCSC c65c691b291feca97768e9e081d9e61b [0,2,0,0,0,0|1,1,0]=4 335 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,2,0,0,0,0|0,2,0]=4 336 B8R0.1 COCCN(C)CSC 5f13e0ff3c679461b2b1a419feb6e996 [0,2,0,0,0,0|1,1,0]=4 337 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,2,0,0,0,0|1,1,0]=4 338 B8R0.1 COCOC(C)CSC 67f2cecd3f83eeb485abb23e4115d530 [0,2,0,0,0,0|0,2,0]=4 339 B8R0.1 COC[C@@H](C)NCSC a373e5142c49c6b8358dc6f2a80e75c6 [0,2,0,0,0,0|1,1,0]=4 340 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,2,0,0,0,0|0,2,0]=4 341 B8R0.1 COC[C@H](C)NCSC 32dd16ad91f658657131385e4dd12f54 [0,2,0,0,0,0|1,1,0]=4 342 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,2,0,0,0,0|0,2,0]=4 343 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,2,0,0,0,0|1,1,0]=4 344 B8R0.1 CSCCN(C)CSC 2fe8ec926878f90934ccdb2b3a5d1e07 [0,2,0,0,0,0|1,0,0]=3 345 B8R0.1 CSCN(C)CCCO 040c6dbe636b5c0fe8d86499104f8427 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,2,0,0,0,0|2,0,0]=4 347 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,2,0,0,0,0|2,0,0]=4 348 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.1 CSCOC(C)CSC fd4788b9d6e38c9985f276fa19ca967e [0,2,0,0,0,0|0,1,0]=3 350 B8R0.4 C#CCCCNCSC d1e7b7c6307a3a2fb9a77e08eeaa2e5c [0,2,0,0,0,0|2,0,0]=4 351 B8R0.4 C#CCCCOCSC ae525969ae73c6cf3e73e0df8becf565 [0,2,0,0,0,0|1,1,0]=4 352 B8R0.4 C#CCNCCCSC 2b3cc08e7dbd0ca3e268d49f603a07e3 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.4 C#CCOCCCSC c0dc8fd7c85c36ff30d96e54057fe426 [0,2,0,0,0,0|1,1,0]=4 354 B8R0.4 C/C=C/CCOCSC 6a0ae094543a86afd6da523cd0f1869d [0,2,0,0,0,0|1,1,0]=4 355 B8R0.4 C/C=C/CNCCSC 01a3d625f870207109c9c7b543ad0c2f [0,2,0,0,0,0|2,0,0]=4 356 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,2,0,0,0,0|1,1,0]=4 357 B8R0.4 C/C=C\CNCCSC b860ce8f423a896cb68f33ac1abfe292 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,2,0,0,0,0|1,1,0]=4 359 B8R0.4 C=CCCCNCSC 2d25245ea1d2bd3af11d66f6de12b1b9 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.4 C=CCCCOCSC 7dc13b8df2da34a1b6ef8defe10e2334 [0,2,0,0,0,0|1,1,0]=4 361 B8R0.4 C=CCNCCCSC 2d032fa75f30b2a66e30d570a29670d9 [0,2,0,0,0,0|2,0,0]=4 362 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,2,0,0,0,0|1,1,0]=4 363 B8R0.4 CC#CCCOCSC 80b74f8165d1731d8886dd6019bd5d5a [0,2,0,0,0,0|1,1,0]=4 364 B8R0.4 CC#CCNCCSC c78912118862da66915f570da9443650 [0,2,0,0,0,0|2,0,0]=4 365 B8R0.4 CC#CCOCCSC 54026a423507e76e264159ea1eeff91a [0,2,0,0,0,0|1,1,0]=4 366 B8R0.4 CC/C=C/COCSC 1086159b9849e85be4ddfca4b46797cc [0,2,0,0,0,0|1,1,0]=4 367 B8R0.4 CC/C=C\COCSC 912dba6b883a281f0d068064002183ce [0,2,0,0,0,0|1,1,0]=4 368 B8R0.4 CC=CCNCCSC 0622283f77c317bcb57152a39bdf501a [0,2,0,0,0,0|2,0,0]=4 369 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,2,0,0,0,0|1,1,0]=4 370 B8R0.4 CCC#CCOCSC 57e6e566d9289fb60b2bd043f3fdc016 [0,2,0,0,0,0|1,1,0]=4 371 B8R0.4 CCCCCNCSC a12f2c65341920caab6c80b675bb648f [0,2,0,0,0,0|2,0,0]=4 372 B8R0.4 CCCCCOCSC a7f8dc7f97f2742c2c3f78a6bcb15d4b [0,2,0,0,0,0|1,1,0]=4 373 B8R0.4 CCCCNCCSC 59b636301e9a63ee9269f9fefc2f0cbb [0,2,0,0,0,0|2,0,0]=4 374 B8R0.4 CCCCOCCSC 7ffec2766bbf61d3fb8039a26d074049 [0,2,0,0,0,0|1,1,0]=4 375 B8R0.4 CCCNCCCSC a1fb4fe81d031e7dcffdf0d0cda484e8 [0,2,0,0,0,0|2,0,0]=4 376 B8R0.4 CCCNCCSCC 145c32b87daf4b90eafd0f3078816379 [0,2,0,0,0,0|2,0,0]=4 377 B8R0.4 CCCOCCCSC 8c60126d0675ea04220b398e82d839b9 [0,2,0,0,0,0|1,1,0]=4 378 B8R0.4 CCCOCCSCC 64da344c31f9c5888d0de5ce68aa3904 [0,2,0,0,0,0|1,1,0]=4 379 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,2,0,0,0,0|1,1,0]=4 380 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,2,0,0,0,0|1,1,0]=4 381 B8R0.4 CCNCCCCSC 49c922b465a04d36e231bfa2a39a115f [0,2,0,0,0,0|2,0,0]=4 382 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,2,0,0,0,0|1,1,0]=4 383 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,2,0,0,0,0|1,1,0]=4 384 B8R0.4 CCOCCNCSC faf7d87d17bed0e69a82a0518e7badde [0,2,0,0,0,0|1,1,0]=4 385 B8R0.4 CCOCCOCSC 7ad27a18099c3a18c7e8e4cf515a46f8 [0,2,0,0,0,0|0,2,0]=4 386 B8R0.4 CCOCNCCSC 509d8fa68985dc90690e2d13fc7300ad [0,2,0,0,0,0|1,1,0]=4 387 B8R0.4 CCOCOCCSC 3f3114cecfa98dec8bb03a76fc9713ef [0,2,0,0,0,0|0,2,0]=4 388 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,2,0,0,0,0|1,1,0]=4 389 B8R0.4 CCSCCNCOC 51de30eb255acd65d33bfe9e93bc9f54 [0,2,0,0,0,0|1,1,0]=4 390 B8R0.4 CCSCCNCSC b0c46754255ec2c693a9e6adb052bc76 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.4 CCSCCOCOC 82ae2d32858c1bccbdb00354afa21801 [0,2,0,0,0,0|0,2,0]=4 392 B8R0.4 CCSCCOCSC c28324caa69bb59277d280a61ae231b9 [0,2,0,0,0,0|0,1,0]=3 393 B8R0.4 COCCCNCSC 34103b32fb2b435f93bb60eae590bae7 [0,2,0,0,0,0|1,1,0]=4 394 B8R0.4 COCCCOCSC 2202eb2dedd91ff1a10fe1f6f7568624 [0,2,0,0,0,0|0,2,0]=4 395 B8R0.4 COCCNCCSC 7d0bd0eb01a04e8d98cec69926dd8601 [0,2,0,0,0,0|1,1,0]=4 396 B8R0.4 COCCOCCSC 2ea3de8cee6b9690728878a6623f0d14 [0,2,0,0,0,0|0,2,0]=4 397 B8R0.4 COCNCCCSC dd08c33d09a480e39d47befa4ecf03be [0,2,0,0,0,0|1,1,0]=4 398 B8R0.4 COCOCCCSC 06d84955d844cdd7598946b8ec70b891 [0,2,0,0,0,0|0,2,0]=4 399 B8R0.4 CSCCCCNCF 4c4e5a07a28e7083039da3f830ae7f8b [0,2,0,0,0,0|2,0,0]=4 400 B8R0.4 CSCCCCNCO ae40ab4fa2d5d94966b509e075b958da [0,2,0,0,0,0|2,0,0]=4 401 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,2,0,0,0,0|1,1,0]=4 402 B8R0.4 CSCCCNCC#N 165f98d70570f4cd41fba0a703555e9a [0,2,0,0,0,0|2,0,0]=4 403 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.4 CSCCCNCCBr ec30ffe3efe83d19772fd6614be31bd8 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.4 CSCCCNCCF 6f018acead4e0a919452137a7c9a80a1 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.4 CSCCCNCCI 8c8c909e1474133444db1bac85a84a9a [0,2,0,0,0,0|2,0,0]=4 407 B8R0.4 CSCCCNCCO e9c80523ec93ea29d1d50e3a2efe78d7 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.4 CSCCCNCCS 8ce9f273694c24dbd57fe73a35b16b29 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.4 CSCCCNCSC 2e8eee202d05aa3bc152533086d2bdc9 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.4 CSCCCOCC#N 2fbd9bf4e4745921ff33d7c46874a328 [0,2,0,0,0,0|1,1,0]=4 411 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,2,0,0,0,0|1,1,0]=4 412 B8R0.4 CSCCCOCCF 05935ee408f5ed062eac02bc9adf2239 [0,2,0,0,0,0|1,1,0]=4 413 B8R0.4 CSCCCOCCS 65d497f29e41e59af616450de8429e8f [0,2,0,0,0,0|1,1,0]=4 414 B8R0.4 CSCCCOCSC 2c634a852737da83c464a5d2f75b1867 [0,2,0,0,0,0|0,1,0]=3 415 B8R0.4 CSCCNCCCCl 1f4101fe1ec24a54d0ea6acb8573e243 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.4 CSCCNCCCF f53acefc1edd8627e32fbf30143c90b6 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.4 CSCCNCCCO f6b1a735d91925126b38940200756072 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.4 CSCCNCCCS 5171e38a3e08bf443c2f699310fbb378 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.4 CSCCNCCSC 57345ae8e07bcb6fff27e2411c649483 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.4 CSCCNCSC#N f0b056db023fc660557be249e2da064f [0,2,0,0,0,0|1,0,1]=4 421 B8R0.4 CSCCOCCCF c4f56b1418ae54daefa5d31019c39624 [0,2,0,0,0,0|1,1,0]=4 422 B8R0.4 CSCCOCCCS e9c2f3d41d67f2884f7bb3c015eec079 [0,2,0,0,0,0|1,1,0]=4 423 B8R0.4 CSCCOCCSC 319db587b15ff2fca575f74e80b6b241 [0,2,0,0,0,0|0,1,0]=3 424 B8R0.4 CSCCOCSC#N b0e8097cd7171b01f502d6b2451628a9 [0,2,0,0,0,0|0,1,1]=4 425 B8R0.4 CSCNCC#CCO 347ca15394a1030780fd8e985473fea6 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.4 CSCNCCCC#N cec4adb0696a70e08df2d4885f4d5d2e [0,2,0,0,0,0|2,0,0]=4 427 B8R0.4 CSCNCCCCCl ef4dfe5dd6050805aa5f8da802adda02 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.4 CSCNCCCCO a8527b20316a926f95cc7546183714ca [0,2,0,0,0,0|2,0,0]=4 429 B8R0.4 CSCNCCCCS 6be46d2b0b77c91914b6412036e1731e [0,2,0,0,0,0|2,0,0]=4 430 B8R0.4 CSCOCCCC#N 12f87b6804b2073241cb6cdbc0b38137 [0,2,0,0,0,0|1,1,0]=4 431 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,2,0,0,0,0|1,1,0]=4 432 B8R0.4 CSCOCCCCF 02a4eb12d2b76c8014e2d98697a6f3b3 [0,2,0,0,0,0|1,1,0]=4 433 B8R0.4 CSCOCCCCS 973c96e0004f71ffadd877ed13fe3fbf [0,2,0,0,0,0|1,1,0]=4 434 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,2,0,0,0,0|1,1,0]=4 435 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,2,0,0,0,0|1,1,0]=4 436 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,2,0,0,0,0|2,0,0]=4 437 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,2,0,0,0,0|1,1,0]=4 438 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,2,0,0,0,0|2,0,0]=4 439 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,2,0,0,0,0|1,1,0]=4 440 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,2,0,0,0,0|2,0,0]=4 441 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,2,0,0,0,0|1,1,0]=4 443 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,2,0,0,0,0|1,1,0]=4 445 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,2,0,0,0,0|2,0,0]=4 446 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,2,0,0,0,0|1,1,0]=4 448 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,2,0,0,0,0|1,1,0]=4 450 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,2,0,0,0,0|1,1,0]=4 452 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|1,1,0]=4 453 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|0,2,0]=4 454 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,2,0,0,0,0|0,2,0]=4 455 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,2,0,0,0,0|1,1,0]=4 456 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,2,0,0,0,0|0,2,0]=4 457 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,2,0,0,0,0|1,1,0]=4 458 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,2,0,0,0,0|0,2,0]=4 459 B8R0.6 CSCNCC(Br)CBr 1439490bfbdc41c573128d2904ce5399 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.6 CSCNCC(C)C#N 52622470c3be95a128136a3b7ffd45bd [0,2,0,0,0,0|2,0,0]=4 461 B8R0.6 CSCNCC(C)CO 30d6810084fc22efb1676f23075f8fd5 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.6 CSCNCC(F)CO 7c8ae59ece6cccaad32a73bf245162dc [0,2,0,0,0,0|2,0,0]=4 463 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.6 CSCNC[C@@H](F)CO 945cfabea34ce3fc06a0f0438d225517 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|2,0,0]=4 466 B8R0.6 CSCNC[C@H](C)CO 76e60afc5906be27708da6c5f83715d2 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.6 CSCNC[C@H](F)CO a75eed4278b72ce58be4019b98472b0d [0,2,0,0,0,0|2,0,0]=4 468 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.6 CSCOC/C(=C/I)/C e9882d9dbe135b55905a235735c7634e [0,2,0,0,0,0|1,1,0]=4 470 B8R0.6 CSCOCC(=CI)C 582e2560e7d9aae0a93b39559f473897 [0,2,0,0,0,0|1,1,0]=4 471 B8R0.6 CSCOCC(Br)CBr a2fab75acbb791d2a16fcbb635320e10 [0,2,0,0,0,0|1,1,0]=4 472 B8R0.6 CSCOCC(C)C#N 67eeea3ed659de1ff5a3a35cc23d3f02 [0,2,0,0,0,0|1,1,0]=4 473 B8R0.6 CSCOCC(Cl)CCl 675e921c03947d0d7d6759cc9d92c669 [0,2,0,0,0,0|1,1,0]=4 474 B8R0.6 CSCOCC(S)CS 274fc9d3a3e01ec8bbe80140e4745922 [0,2,0,0,0,0|1,1,0]=4 475 B8R0.7 C=C(C)CCNCSC 0537b76f67ce88918e3939b8c0661738 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.7 C=C(C)CCOCSC 8b354d12fad36f04225eaa7c7e6282c1 [0,2,0,0,0,0|1,1,0]=4 477 B8R0.7 C=C(C)CNCCSC 3f20f05b0e16d23c2ebfc029ac4818f9 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,2,0,0,0,0|1,1,0]=4 479 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.7 CSCCCNC(C)C 6b279fd0ea31fe5ab25c2d7757b17983 [0,2,0,0,0,0|2,0,0]=4 481 B8R0.7 CSCCCOC(C)C f53d2336fb0f520dbcdbe91d0f6f8fb0 [0,2,0,0,0,0|1,1,0]=4 482 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|2,0,0]=4 483 B8R0.7 CSCCNCC(C)C 16d1e3af66ad99f6b4393c7a907a603c [0,2,0,0,0,0|2,0,0]=4 484 B8R0.7 CSCCNCC(C)O 684b1705ba2238f55a9db5f4eaf48d67 [0,2,0,0,0,0|2,0,0]=4 485 B8R0.7 CSCCNCN(C)C edda138cdc9bd8edfa25bc3427b1419d [0,2,0,0,0,0|2,0,0]=4 486 B8R0.7 CSCCNC[C@@H](C)O bc0fd1dc506166a7fd0edef563d937ce [0,2,0,0,0,0|2,0,0]=4 487 B8R0.7 CSCCNC[C@H](C)O db068fc33901ed1895a5d7d51bc4242d [0,2,0,0,0,0|2,0,0]=4 488 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|1,1,0]=4 489 B8R0.7 CSCCOCC(C)C 0d7a1f3f7a05c508cd670d9e86716796 [0,2,0,0,0,0|1,1,0]=4 490 B8R0.7 CSCCOCC(C)F 80f140badf9f25b22d70fb346f4d0883 [0,2,0,0,0,0|1,1,0]=4 491 B8R0.7 CSCCOCC(C)S 2f86d3f6e09192270304f09a6b263742 [0,2,0,0,0,0|1,1,0]=4 492 B8R0.7 CSCCOCN(C)C 9308692fd6962d1147703bf4247f7a7d [0,2,0,0,0,0|1,1,0]=4 493 B8R0.7 CSCCOC[C@@H](C)F 5ba4bde9293c7841a265783d6b74aa63 [0,2,0,0,0,0|1,1,0]=4 494 B8R0.7 CSCCOC[C@H](C)F ee0c773744b281d9a929624016cd27ef [0,2,0,0,0,0|1,1,0]=4 495 B8R0.7 CSCNCC=C(C)C bd33927766e98f2dd5dacc45b1e895e0 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.7 CSCNCCC(C)C 1214140341214495e484e265d71b8d27 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.7 CSCNCCC(C)O 8079af77e795db5c9b76b0339e48e07c [0,2,0,0,0,0|2,0,0]=4 498 B8R0.7 CSCNCCC(F)F 66a1efcff813c3e9ed1222e2a67e4868 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.7 CSCNCCN(C)C 9d3024d7eac1e67f9ded5bf630b1a615 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.7 CSCNCCS(=O)C 584a2850b756fa8cc87b9ef394dad8f0 [0,2,0,0,0,0|1,0,1]=4 501 B8R0.7 CSCNCC[C@@H](C)O 40afe2c009067bdceded9420a01d83c2 [0,2,0,0,0,0|2,0,0]=4 502 B8R0.7 CSCNCC[C@H](C)O f099555ead223e55238d1cd9c176fd2a [0,2,0,0,0,0|2,0,0]=4 503 B8R0.7 CSCOC/C=C(/C)\Cl 8d77159a9471ed7fc5abfcaf1f063828 [0,2,0,0,0,0|1,1,0]=4 504 B8R0.7 CSCOC/C=C(/C)\I f0fc199a9870d21b85403d2ccfe3954c [0,2,0,0,0,0|1,1,0]=4 505 B8R0.7 CSCOCC=C(C)C 11fcffec5a5501fa1669666c27a89e75 [0,2,0,0,0,0|1,1,0]=4 506 B8R0.7 CSCOCC=C(C)I 58f451f90704dfc8e77cfeb8f7eddabe [0,2,0,0,0,0|1,1,0]=4 507 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|1,1,0]=4 508 B8R0.7 CSCOCCC(C)C de4759993ae77e6152e45a8e6c1a8f14 [0,2,0,0,0,0|1,1,0]=4 509 B8R0.7 CSCOCCC(F)F 83ce2dc8d7430cd45d5790e41750074e [0,2,0,0,0,0|1,1,0]=4 510 B8R0.7 CSCOCCN(C)C 12c65a5bf6ef4fa41ce73a42c72404c0 [0,2,0,0,0,0|1,1,0]=4 511 B8R0.7 CSCOCCS(=O)C 36c06b13169a7a72e8a51ac6beeed9ff [0,2,0,0,0,0|0,1,1]=4 512 B8R0.7 CSCOCNC(=O)C 30bfc52f57e4ed91a642bf8853a3d4bb [0,2,0,0,0,0|1,1,0]=4 513 B8R0.3 CCC(C)N(C)CSC c030143eb8397d3f16edf3acc369c78b [0,2,0,0,0,0|2,0,0]=4 514 B8R0.8 CSCNC(C)C(C)C 51acb59e1f0fbf5f5b25df1165f572ec [0,2,0,0,0,0|2,0,0]=4 515 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,2,0,0,0,0|2,0,0]=4 516 B8R0.8 CSCN[C@@H](C)C(C)C 4ab9b679ebc9a80bf01bcaae89dc4661 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.8 CSCN[C@H](C)C(C)C 2d29b2303be9f4b27e85050f3501c685 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,2,0,0,0,0|1,1,0]=4 519 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,2,0,0,0,0|1,1,0]=4 520 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,2,0,0,0,0|1,1,0]=4 521 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,2,0,0,0,0|1,1,0]=4 522 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,2,0,0,0,0|1,1,0]=4 523 B8R0.11 C#CC(CC)OCSC 69fee0a503f5d1671da5e803f1ed055b [0,2,0,0,0,0|1,1,0]=4 524 B8R0.11 C=CC(CC)OCSC 8ad41cd97e56cb5ea78fa59e1c98869b [0,2,0,0,0,0|1,1,0]=4 525 B8R0.11 CCC(C#N)OCSC 868b23f07c7ea37c26366fd60dbf5893 [0,2,0,0,0,0|1,1,0]=4 526 B8R0.11 CCC(CC)NCSC 412d616fd9e136d45ac690b333033eef [0,2,0,0,0,0|2,0,0]=4 527 B8R0.11 CCC(CC)OCSC 79d5063cdd78d3f93ab595b49d440cce [0,2,0,0,0,0|1,1,0]=4 528 B8R0.11 CCC(CO)NCSC b861a5a5b392c8da7211f9f9dd9d339c [0,2,0,0,0,0|2,0,0]=4 529 B8R0.11 CC[C@@H](CO)NCSC b0087d0db4955c611258d5b10128f64d [0,2,0,0,0,0|2,0,0]=4 530 B8R0.11 CC[C@H](CO)NCSC 5a01ade357a562b1b9ae7501c2058894 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.25 CCC(C)(C)NCSC 5f8bb1208a809fe2f43ece73d050260c [0,2,0,0,0,0|2,0,0]=4 532 B8R0.5 CSCN(C)CC(C)C b4880058f7b62851863b99827752cd7e [0,2,0,0,0,0|2,0,0]=4 533 B8R0.5 CSCN(C)CC(C)O 19b09d20f60ba10a7233c42a0094d940 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.5 CSCN(C)C[C@H](C)O a1cd0a54d282bd0dcdd24b2e9143dd2d [0,2,0,0,0,0|2,0,0]=4 535 B8R0.21 CSCNCC(C)(C)C 9957b5133d348cb505544a33bdacff11 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.21 CSCNCC(C)(C)O 2958c74c1780f4b78ffaf2dfd4f45e6a [0,2,0,0,0,0|2,0,0]=4 537 B8R0.21 CSCNCC(C)(F)F 16719129023ae8f7328d89ef02779fb0 [0,2,0,0,0,0|2,0,0]=4 538 B8R0.21 CSCOCC(C)(C)Br dd6cf3d5d90fba65b6081a6ea347690a [0,2,0,0,0,0|1,1,0]=4 539 B8R0.21 CSCOCC(C)(C)C f7ac26bc8e0c637cb81c5346ce445a3e [0,2,0,0,0,0|1,1,0]=4 540 B8R0.21 CSCOCC(C)(C)F de768007140390ebdc9de9d45c75f3db [0,2,0,0,0,0|1,1,0]=4 541 B8R0.21 CSCOCC(C)(C)S acba3136d2d5a9e375722d36d49cacbc [0,2,0,0,0,0|1,1,0]=4 542 B8R0.21 CSCOCC(C)(F)F bfb0c657181c110d127e010578345451 [0,2,0,0,0,0|1,1,0]=4 543 B8R0.22 CCCN(CC)CSC a60d359435bfdd67a351c0f62c52b47e [0,2,0,0,0,0|2,0,0]=4 544 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [1,0,0,1,0,0|2,0,0]=4 545 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [1,0,0,1,0,0|1,1,0]=4 546 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [1,0,0,1,0,0|2,0,0]=4 547 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,1,0,1,0,0|2,0,0]=4 549 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,1,0,1,0,0|2,0,0]=4 552 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,1,0,1,0,0|1,1,0]=4 553 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,1,0,1,0,0|1,1,0]=4 554 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,1,0,1,0,0|1,1,0]=4 555 B8R1.8 COCN1CCSC1 1354a17cb52202250a85ab8a0568af11 [0,1,0,1,0,0|1,1,0]=4 556 B8R1.8 CSCN1CC=CC1 bf24d8e5e82ec3c30bb01a4e9def2061 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.8 CSCN1CCSC1 9d3e3abde80ce9a8a19b07ba88ce837b [0,1,0,1,0,0|1,0,0]=3 558 B8R1.8 FCNC1CCSC1 37f1dd3a90121407b902e1f5d50fa4ed [0,1,0,1,0,0|2,0,0]=4 559 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,1,0,1,0,0|1,1,0]=4 560 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,1,0,1,0,0|1,1,0]=4 561 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,1,0,1,0,0|1,1,0]=4 562 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.9 CSCNC1CC1C e4fd3f89886322c39de9fa962cb3d0cb [0,1,0,1,0,0|2,0,0]=4 564 B8R1.9 CSCN[C@@H]1C[C@H]1F 91b7b35ad04803309a91dafcb82ce8cb [0,1,0,1,0,0|2,0,0]=4 565 B8R1.9 CSCN[C@H]1C[C@@H]1F df5673e2b6cdf29d2dc7fcc660d6debd [0,1,0,1,0,0|2,0,0]=4 566 B8R1.9 CSCN[C@H]1C[C@H]1F 2aa88f56e487ff9ed3d9c7df5a721b8c [0,1,0,1,0,0|2,0,0]=4 567 B8R1.10 CCCOC1CSC1 10378f1ff5d1e14a6df527902f8b7380 [0,1,0,1,0,0|1,1,0]=4 568 B8R1.10 CCOCC1CSC1 e23c247dcc48d2cce0b10a2474f2de8e [0,1,0,1,0,0|1,1,0]=4 569 B8R1.10 COCOC1CSC1 3a7023cfcbeb3915a31ea625c2263553 [0,1,0,1,0,0|0,2,0]=4 570 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,1,0,1,0,0|2,0,0]=4 571 B8R1.10 CSCNC1CCC1 c72115a2c84945505d84748916218b75 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.10 CSCNC1COC1 11a5c4a214a3b9569eae8602545a91f2 [0,1,0,1,0,0|1,1,0]=4 573 B8R1.10 CSCOC1CCC1 9e9206e1e63ba2bb085e78defc972ddf [0,1,0,1,0,0|1,1,0]=4 574 B8R1.10 CSCOC1COC1 bad826ea3fce66d58dedf86028baf9c9 [0,1,0,1,0,0|0,2,0]=4 575 B8R1.10 CSCOC1CSC1 ba54f3d1f51182eabdc1c4c807c54025 [0,1,0,1,0,0|0,1,0]=3 576 B8R1.10 FCOCC1CSC1 78bf129cdaf664ee3dd13bd310751f7d [0,1,0,1,0,0|1,1,0]=4 577 B8R1.36 CSCCNC1CC1 15d6cc02cb27e4637b8a7b18bce36a80 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.36 CSCCOC1CC1 e0981e8f108a928e73043af2d2e56c46 [0,1,0,1,0,0|1,1,0]=4 579 B8R1.36 CSCNCC1CC1 e820dcd23892d88756ec200e8c7e2a66 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.36 CSCOCC1CC1 3d32bb66f1695fc62d4bc9b15027217a [0,1,0,1,0,0|1,1,0]=4 581 B8R1.41 CSCNC1(CC1)C 73964c4d48b81bad084406dd5bcb923e [0,1,0,1,0,0|2,0,0]=4 582 B8R1.6 CSCN1CC(C1)F b043fd0ffd5d2de919a889b45a0538d3 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.6 CSCN1CC(C1)O 34910bc94db571d51ff7a8f74ad40fc5 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.27 CSCN1CC1(C)C 57f03b2466c1e0327e92c39a36035676 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.37 CSCN(C)C1CC1 4f2494c6a82611f9a13be950f026ca56 [0,1,0,1,0,0|2,0,0]=4