0 B17R2.5678 CC(=O)c1ccccc1OCC2=CCCC2 031322a070c3a8588e9d37c49a1d6a01 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.5678 CC(=O)c1ccccc1OCc2ncc[nH]2 3c5dff726cbf855be0491ccc850aca50 [0,0,0,0,0,0|1,0,3]=4 2 B17R2.5678 CC(=O)c1ccccc1OCc2nnn[nH]2 a3f7ca55888f36a520a5d5f0b0126b4c [0,0,0,0,0,0|3,0,1]=4 3 B17R2.5678 CC(C)c1ccccc1CNc2ncc[nH]2 17afac6f20ee9645e7ca2773eade664d [0,0,0,0,0,0|2,0,2]=4 4 B17R2.5678 CC(C)c1ccccc1NCC2=CCCC2 37817d8569e5ae50f9c3625c75cc1503 [0,0,0,0,0,0|3,0,0]=3 5 B17R2.5678 CC(C)c1ccccc1NCC2CCCC2 4fb701fbf1878456d1472afda53c81d5 [0,0,0,0,0,0|3,0,1]=4 6 B17R2.5678 CC(C)c1ccccc1NCC2CCCO2 c785801ff02f6205abd932ee2a2a370c [0,0,0,0,0,0|3,0,1]=4 7 B17R2.5678 CC(C)c1ccccc1NCc2c[nH]nn2 8199924ad2214591193a197943d12bd6 [0,0,0,0,0,0|4,0,0]=4 8 B17R2.5678 CC(C)c1ccccc1NCc2ccc[nH]2 362d3a8df417e54787ee5fe89fdcb3b1 [0,0,0,0,0,0|2,0,2]=4 9 B17R2.5678 CC(C)c1ccccc1NCc2ccn[nH]2 eed7d10f487fda38a00672e952e49dea [0,0,0,0,0,0|3,0,1]=4 10 B17R2.5678 CC(C)c1ccccc1NCc2ccon2 52dfc39e0d0c027e70550862e9f63075 [0,0,0,0,0,0|3,0,1]=4 11 B17R2.5678 CC(C)c1ccccc1NCc2ccsn2 04f9e2498d21453c16de670cd675d24a [0,0,0,0,0,0|3,0,1]=4 12 B17R2.5678 CC(C)c1ccccc1NCc2cnc[nH]2 8685fac8c29b4cf0ac5a5b998938ee7a [0,0,0,0,0,0|3,0,1]=4 13 B17R2.5678 CC(C)c1ccccc1NCc2cocn2 1edd1e854c2f30699d83a7bed3c6bfd1 [0,0,0,0,0,0|3,0,1]=4 14 B17R2.5678 CC(C)c1ccccc1NCc2cscn2 7e82c553991529546b60e489a470562c [0,0,0,0,0,0|3,0,1]=4 15 B17R2.5678 CC(C)c1ccccc1NCc2ncc[nH]2 ba59da1d3242ff004ceb05bd34ffac8e [0,0,0,0,0,0|1,0,2]=3 16 B17R2.5678 CC(C)c1ccccc1NCc2ncco2 b4a537a1561756241304dae5fad981f6 [0,0,0,0,0,0|2,0,2]=4 17 B17R2.5678 CC(C)c1ccccc1NCc2nccs2 8ff0bdf08ece072d384805d1fb808840 [0,0,0,0,0,0|2,0,2]=4 18 B17R2.5678 CC(C)c1ccccc1NCc2ncn[nH]2 45556d7857d56fc3c350ed324a468a91 [0,0,0,0,0,0|2,0,1]=3 19 B17R2.5678 CC(C)c1ccccc1NCc2ncon2 3cc92331afe293a086d6944bfc9e93b3 [0,0,0,0,0,0|2,0,2]=4 20 B17R2.5678 CC(C)c1ccccc1NCc2nnco2 fcb2b20f0a1bfcaf56275345a0afb412 [0,0,0,0,0,0|3,0,1]=4 21 B17R2.5678 CC(C)c1ccccc1NCc2nnn[nH]2 44f059627c0abc44cfa884ab604681b5 [0,0,0,0,0,0|3,0,0]=3 22 B17R2.5678 CC(C)c1ccccc1OCC2CCCC2 95aa4905f1c41749ddf609ad64474b67 [0,0,0,0,0,0|2,0,1]=3 23 B17R2.5678 CC(C)c1ccccc1OCC2CCCO2 f49d279a26dcba1b9d953fa59ec250d0 [0,0,0,0,0,0|2,0,1]=3 24 B17R2.5678 CC(C)c1ccccc1OCC2CCOC2 87d3dfb1fdd4c97d10485798c198cfff [0,0,0,0,0,0|3,0,1]=4 25 B17R2.5678 CC(C)c1ccccc1OCc2ccco2 7bac6ee8909c40a0e5cd9401c831f20b [0,0,0,0,0,0|2,0,2]=4 26 B17R2.5678 CC(C)c1ccccc1OCc2cccs2 b8bbd92f678de53b2dbaa57d62ecb5c7 [0,0,0,0,0,0|2,0,2]=4 27 B17R2.5678 CC(C)c1ccccc1OCc2ccno2 887d505c51a37e0228b76112b5658534 [0,0,0,0,0,0|3,0,1]=4 28 B17R2.5678 CC(C)c1ccccc1OCc2ccon2 0b38babcf71bef9a04649f2ffc0b603b [0,0,0,0,0,0|2,0,1]=3 29 B17R2.5678 CC(C)c1ccccc1OCc2ccsc2 2a19b3706f38438c6d7c572251633adf [0,0,0,0,0,0|3,0,1]=4 30 B17R2.5678 CC(C)c1ccccc1OCc2cnoc2 99bd5714c148e548bb148e26a692e0d0 [0,0,0,0,0,0|4,0,0]=4 31 B17R2.5678 CC(C)c1ccccc1OCc2cocn2 229584e69d992375b2e6528cb1ef7650 [0,0,0,0,0,0|2,0,1]=3 32 B17R2.5678 CC(C)c1ccccc1OCc2cscn2 9ea01cfe94dbac52e3c47261061d9bd8 [0,0,0,0,0,0|2,0,1]=3 33 B17R2.5678 CC(C)c1ccccc1OCc2nc[nH]n2 534ca28581b4dbc0dc7251d8fc143791 [0,0,0,0,0,0|1,0,2]=3 34 B17R2.5678 CC(C)c1ccccc1OCc2ncc[nH]2 e6570b6cef1a2132077710920ab7fd3f [0,0,0,0,0,0|0,0,2]=2 35 B17R2.5678 CC(C)c1ccccc1OCc2ncco2 260aa4c71b1c064e8903faf30676a178 [0,0,0,0,0,0|1,0,2]=3 36 B17R2.5678 CC(C)c1ccccc1OCc2nccs2 dd9e3a76b41f980b4a912d58d1c7d787 [0,0,0,0,0,0|1,0,2]=3 37 B17R2.5678 CC(C)c1ccccc1OCc2ncno2 50a5a56ea182ca8dd97e10a526c4922b [0,0,0,0,0,0|2,0,1]=3 38 B17R2.5678 CC(C)c1ccccc1OCc2ncon2 0b3f2fd140dbc3629fafa7d8aa777535 [0,0,0,0,0,0|1,0,2]=3 39 B17R2.5678 CC(C)c1ccccc1OCc2nnco2 545e23f921e0cdd3a71f6534b4fbbbae [0,0,0,0,0,0|2,0,1]=3 40 B17R2.5678 CC(C)c1ccccc1OCn2nccn2 58ceda4483720a588efe8c48fd0595de [0,0,0,0,0,0|1,0,3]=4 41 B17R2.5678 CC(C)c1cccnc1NCC2=CCCC2 655e4351da07e8f8c14f2ed4a2335cde [0,0,0,0,0,0|4,0,0]=4 42 B17R2.5678 CC(C)c1cccnc1NCc2ncc[nH]2 91514ecb9f2b6cd9dcb58e1ef719f1cc [0,0,0,0,0,0|2,0,2]=4 43 B17R2.5678 CC(C)c1cccnc1NCc2ncn[nH]2 2430b050e4d0de4ab82cb6fd1f4dccb6 [0,0,0,0,0,0|3,0,1]=4 44 B17R2.5678 CC(C)c1cccnc1NCc2nnn[nH]2 fa698e5d75b1f02e8e93c5d656a152da [0,0,0,0,0,0|4,0,0]=4 45 B17R2.5678 CC(C)c1ccncc1NCC2=CCCC2 96491a6a51f0aaca942d7a872bda1530 [0,0,0,0,0,0|4,0,0]=4 46 B17R2.5678 CC(C)c1ccncc1NCc2ncc[nH]2 b18c5d2ed217c710c8ce3d85a01cbb46 [0,0,0,0,0,0|2,0,2]=4 47 B17R2.5678 CC(C)c1ccncc1NCc2nnn[nH]2 611002655fd3ffd0fa1cb4cd50ecef02 [0,0,0,0,0,0|4,0,0]=4 48 B17R2.5678 CC(C)c1cnccc1NCC2=CCCC2 10b22ce33d98760d30f8d10797f43e81 [0,0,0,0,0,0|4,0,0]=4 49 B17R2.5678 CC(C)c1cnccc1NCc2ncc[nH]2 2905ed768dab334d5b793d9aede447e6 [0,0,0,0,0,0|2,0,2]=4 50 B17R2.5678 CC(C)c1cnccc1NCc2nnn[nH]2 9d89fc2df28375a5b96ed33676e9724c [0,0,0,0,0,0|4,0,0]=4 51 B17R2.5678 CC(C)c1cnccc1OCC2=CCCC2 ab84fd9c72769009696615a2c2999a90 [0,0,0,0,0,0|3,0,0]=3 52 B17R2.5678 CC(C)c1cnccc1OCC2CCCC2 e29603efcc585bb0312910fb300edaaf [0,0,0,0,0,0|3,0,1]=4 53 B17R2.5678 CC(C)c1cnccc1OCC2CCCO2 d1ec33b3135c122fe99bf35f0302d204 [0,0,0,0,0,0|3,0,1]=4 54 B17R2.5678 CC(C)c1cnccc1OCc2ccon2 baea5014465403b59de1af224145d038 [0,0,0,0,0,0|3,0,1]=4 55 B17R2.5678 CC(C)c1cnccc1OCc2cocn2 44a1f0346e4551044bd0d9d967fa99b3 [0,0,0,0,0,0|3,0,1]=4 56 B17R2.5678 CC(C)c1cnccc1OCc2cscn2 814a7c71fa2b3342e969c5f2ebcc56c9 [0,0,0,0,0,0|3,0,1]=4 57 B17R2.5678 CC(C)c1cnccc1OCc2nc[nH]n2 b51e1c6daf8fca821181c1bb2308b39c [0,0,0,0,0,0|2,0,2]=4 58 B17R2.5678 CC(C)c1cnccc1OCc2ncc[nH]2 fdc02a8c17a0f24a124afbe7b5d71a76 [0,0,0,0,0,0|1,0,2]=3 59 B17R2.5678 CC(C)c1cnccc1OCc2ncco2 23e8b96b1d432e5c36e7173dd9517723 [0,0,0,0,0,0|2,0,2]=4 60 B17R2.5678 CC(C)c1cnccc1OCc2nccs2 91dfa749d4f0c4bdf542626fb4e6308b [0,0,0,0,0,0|2,0,2]=4 61 B17R2.5678 CC(C)c1cnccc1OCc2ncno2 3c67749dd04a27aa3b5b884b25de80d3 [0,0,0,0,0,0|3,0,1]=4 62 B17R2.5678 CC(C)c1cnccc1OCc2ncon2 0c71b988e01031eba19fa78735e1282e [0,0,0,0,0,0|2,0,2]=4 63 B17R2.5678 CC(C)c1cnccc1OCc2nnco2 fbe3382484864270d210a067c0cb9274 [0,0,0,0,0,0|3,0,1]=4 64 B17R2.5678 CC(C)c1cnccc1OCc2nnn[nH]2 c0da7d66a469a9bf762207bc578c3044 [0,0,0,0,0,0|3,0,0]=3 65 B17R2.5678 CC(C)c1ncccc1NCC2=CCCC2 d674aa5b20f74616033d1f4226fd5812 [0,0,0,0,0,0|4,0,0]=4 66 B17R2.5678 CC(C)c1ncccc1NCc2ncc[nH]2 9f2f7f20d8e63567ba7f211820daa057 [0,0,0,0,0,0|2,0,2]=4 67 B17R2.5678 CC(C)c1ncccc1NCc2ncn[nH]2 e25016f4827b097ef572ef7aaa8ba81d [0,0,0,0,0,0|3,0,1]=4 68 B17R2.5678 CC(C)c1ncccc1NCc2nnn[nH]2 3995f6d0af6be33228cfbf0e17acd0f5 [0,0,0,0,0,0|4,0,0]=4 69 B17R2.5678 CC(C)c1ncccc1OCC2=CCCC2 23e21d4f54d59c6eb8bb08ad3a116bfa [0,0,0,0,0,0|3,0,0]=3 70 B17R2.5678 CC(C)c1ncccc1OCC2CCCC2 cf1dca2376fb1660fe02dcdd911bed14 [0,0,0,0,0,0|3,0,1]=4 71 B17R2.5678 CC(C)c1ncccc1OCC2CCCO2 3607e4da25b676232fa5004cf4ee9371 [0,0,0,0,0,0|3,0,1]=4 72 B17R2.5678 CC(C)c1ncccc1OCc2ccon2 acba7ec55b267c694cf70816dd8e6da3 [0,0,0,0,0,0|3,0,1]=4 73 B17R2.5678 CC(C)c1ncccc1OCc2cnc[nH]2 4f6c94205b9fe2f1d5c3245a131a363e [0,0,0,0,0,0|3,0,1]=4 74 B17R2.5678 CC(C)c1ncccc1OCc2cocn2 7bb90e8cac314df71cdd3e4ab2dc4aea [0,0,0,0,0,0|3,0,1]=4 75 B17R2.5678 CC(C)c1ncccc1OCc2cscn2 6b5a93b78512780bc7a93bb237e4c7f0 [0,0,0,0,0,0|3,0,1]=4 76 B17R2.5678 CC(C)c1ncccc1OCc2nc[nH]n2 7c341b57fa1572f15f1992abf804e080 [0,0,0,0,0,0|2,0,2]=4 77 B17R2.5678 CC(C)c1ncccc1OCc2ncc[nH]2 672e6aeb7fc2e4f8d416e6b5e77ea17d [0,0,0,0,0,0|1,0,2]=3 78 B17R2.5678 CC(C)c1ncccc1OCc2ncco2 30555e6b7fd74f1c5cda0b37b684d626 [0,0,0,0,0,0|2,0,2]=4 79 B17R2.5678 CC(C)c1ncccc1OCc2nccs2 7ce3664995c775f708fd0af07e3e9530 [0,0,0,0,0,0|2,0,2]=4 80 B17R2.5678 CC(C)c1ncccc1OCc2ncno2 5d82bd237688bc1596456aea9f11b810 [0,0,0,0,0,0|3,0,1]=4 81 B17R2.5678 CC(C)c1ncccc1OCc2ncon2 2224a1f79c0164dd34e3b29b700d0feb [0,0,0,0,0,0|2,0,2]=4 82 B17R2.5678 CC(C)c1ncccc1OCc2nnco2 435977540751cd8292a0327753d4ce6d [0,0,0,0,0,0|3,0,1]=4 83 B17R2.5678 CC(C)c1ncccc1OCc2nnn[nH]2 462f1a265d50c68f7ed8a2a3833b749d [0,0,0,0,0,0|3,0,0]=3 84 B17R2.5678 CC(C)c1nccnc1OCC2=CCCC2 27f18012dfe0f989d93ec519c616d760 [0,0,0,0,0,0|4,0,0]=4 85 B17R2.5678 CC(C)c1nccnc1OCc2ncc[nH]2 f75e39d9c7c55524be4734e3969559f9 [0,0,0,0,0,0|2,0,2]=4 86 B17R2.5678 CC(C)c1nccnc1OCc2nnn[nH]2 b4c1ace23b7c3b96bcc059b73b66707b [0,0,0,0,0,0|4,0,0]=4 87 B17R2.5678 CC(O)c1ccccc1NCC2=CCCC2 d67bde4c66ceabe5519e0a3448effd24 [0,0,0,0,0,0|4,0,0]=4 88 B17R2.5678 CC(O)c1ccccc1NCc2ncc[nH]2 3df9cf289c7f5e4739609758ab94bc66 [0,0,0,0,0,0|2,0,2]=4 89 B17R2.5678 CC(O)c1ccccc1NCc2ncn[nH]2 0787cc445f038da81dfa4e1fe6f5acea [0,0,0,0,0,0|3,0,1]=4 90 B17R2.5678 CC(O)c1ccccc1NCc2nnn[nH]2 098908cbdee65882d66273668445d1b6 [0,0,0,0,0,0|4,0,0]=4 91 B17R2.5678 CN(C)c1ccccc1NCC2=CCCC2 4aff346626091c539c85f398c7150d4e [0,0,0,0,0,0|4,0,0]=4 92 B17R2.5678 CN(C)c1ccccc1NCc2ncc[nH]2 94283e365d54a27e7885cfe9ff9ba258 [0,0,0,0,0,0|2,0,2]=4 93 B17R2.5678 CN(C)c1ccccc1NCc2ncn[nH]2 eeabd77da2f58fd1d352ec66f4ba8c50 [0,0,0,0,0,0|3,0,1]=4 94 B17R2.5678 CN(C)c1ccccc1NCc2nnn[nH]2 fd01973bb65d3915d8788d720db874c5 [0,0,0,0,0,0|4,0,0]=4 95 B17R2.5678 CN(C)c1ccccc1OCC2CCCC2 c366211b734192aeeb629e3bcc2add7d [0,0,0,0,0,0|3,0,1]=4 96 B17R2.5678 CN(C)c1ccccc1OCC2CCCO2 87fb0eef0d500fa030ab318120c851a3 [0,0,0,0,0,0|3,0,1]=4 97 B17R2.5678 CN(C)c1ccccc1OCc2ccon2 0d674799ef62ffdeda95bca621107574 [0,0,0,0,0,0|3,0,1]=4 98 B17R2.5678 CN(C)c1ccccc1OCc2cocn2 2ced8a114e713f9e845ab240fd06ec9e [0,0,0,0,0,0|3,0,1]=4 99 B17R2.5678 CN(C)c1ccccc1OCc2cscn2 b750b31ce5c5937d1bbd77cd493d8f78 [0,0,0,0,0,0|3,0,1]=4 100 B17R2.5678 CN(C)c1ccccc1OCc2nc[nH]n2 5e42e6d07f3fa8fe3e7e23f9ebcabb54 [0,0,0,0,0,0|2,0,2]=4 101 B17R2.5678 CN(C)c1ccccc1OCc2ncc[nH]2 2e9fdf7ae94c7567d255f582706c1d4f [0,0,0,0,0,0|1,0,2]=3 102 B17R2.5678 CN(C)c1ccccc1OCc2ncco2 b8d5eef4360209a28d51a1598b10356b [0,0,0,0,0,0|2,0,2]=4 103 B17R2.5678 CN(C)c1ccccc1OCc2nccs2 943bf24f2b43df458fbd5c71b55bf4d2 [0,0,0,0,0,0|2,0,2]=4 104 B17R2.5678 CN(C)c1ccccc1OCc2ncno2 46ce720d1fb3c545eff9d30792ceb318 [0,0,0,0,0,0|3,0,1]=4 105 B17R2.5678 CN(C)c1ccccc1OCc2ncon2 81e24e363c281211b7103a033803cddd [0,0,0,0,0,0|2,0,2]=4 106 B17R2.5678 CN(C)c1ccccc1OCc2nnco2 5b9cff6ef3fd77edd247c4e645337be5 [0,0,0,0,0,0|3,0,1]=4 107 B17R2.5678 CN(C)c1ccccc1OCc2nnn[nH]2 47b576f03e57a0e5311ea5383b839932 [0,0,0,0,0,0|3,0,0]=3 108 B17R2.5678 CN(C)c1ncccc1OCC2=CCCC2 d4fbc3801e5641303e6cb1bf9ac5e09d [0,0,0,0,0,0|4,0,0]=4 109 B17R2.5678 CN(C)c1ncccc1OCc2ncc[nH]2 b7713d267b3a29e287cf8856fe9a8537 [0,0,0,0,0,0|2,0,2]=4 110 B17R2.5678 CN(C)c1ncccc1OCc2nnn[nH]2 a7c52da4f042867cf36ae38d439a2c9c [0,0,0,0,0,0|4,0,0]=4 111 B17R2.5678 CS(=O)c1ccccc1OCc2ncc[nH]2 d241e40c5308b8bd2a1bb421212ac9f1 [0,0,0,0,0,0|2,0,2]=4 112 B17R2.5678 CS(=O)c1ccccc1OCc2nnn[nH]2 da7cdf90f7c38b46f31f4a5715012e93 [0,0,0,0,0,0|4,0,0]=4 113 B17R2.5678 C[C@@H](O)c1ccccc1NCc2ncc[nH]2 fe932e1d0d991c3b62c7078732d61543 [0,0,0,0,0,0|2,0,2]=4 114 B17R2.5678 C[C@@H](O)c1ccccc1NCc2ncn[nH]2 69404b194c7533c3261ae73761173d92 [0,0,0,0,0,0|3,0,1]=4 115 B17R2.5678 C[C@@H](O)c1ccccc1NCc2nnn[nH]2 d6ad6c28e01e540b774f310421f6a072 [0,0,0,0,0,0|4,0,0]=4 116 B17R2.5678 C[C@H](O)c1ccccc1NCc2ncc[nH]2 3219e974b6272aae427e48eb29e5a93d [0,0,0,0,0,0|2,0,2]=4 117 B17R2.5678 C[C@H](O)c1ccccc1NCc2ncn[nH]2 17177473839ef0e2831e77c6bf8264b5 [0,0,0,0,0,0|3,0,1]=4 118 B17R2.5678 C[C@H](O)c1ccccc1NCc2nnn[nH]2 3516f053dd77f4054d87d8ec50a5436e [0,0,0,0,0,0|4,0,0]=4 119 B16R2.1480 CCc1ccccc1NCc2ncc[nH]2 896f27dd36af93a5f65b90c6ffc1ebaa [1,0,0,0,0,0|1,0,2]=4 120 B16R2.1480 CCc1ccccc1NCc2ncn[nH]2 be7ca79fb376861de985822009380d62 [1,0,0,0,0,0|2,0,1]=4 121 B16R2.1480 CCc1ccccc1NCc2nnn[nH]2 b1383e326fb5690b010d20a21f701910 [1,0,0,0,0,0|3,0,0]=4 122 B16R2.1480 CCc1ccccc1OCC2CCCC2 d523e74d4aa9e4555c74e42f30616bca [1,0,0,0,0,0|2,0,1]=4 123 B16R2.1480 CCc1ccccc1OCC2CCCO2 a5d6fc994bd22200a96ce747587b2a5d [1,0,0,0,0,0|2,0,1]=4 124 B16R2.1480 CCc1ccccc1OCc2ccon2 4cc2a1e370e08c8070e0ca3510d9742d [1,0,0,0,0,0|2,0,1]=4 125 B16R2.1480 CCc1ccccc1OCc2cocn2 e36caa177228fd045e7d90759d672224 [1,0,0,0,0,0|2,0,1]=4 126 B16R2.1480 CCc1ccccc1OCc2cscn2 da73e74910904fb40a7730d52530c223 [1,0,0,0,0,0|2,0,1]=4 127 B16R2.1480 CCc1ccccc1OCc2nc[nH]n2 30af4e19f9d5cef11421f67d062b5bf8 [1,0,0,0,0,0|1,0,2]=4 128 B16R2.1480 CCc1ccccc1OCc2ncc[nH]2 0fb431ce80ad729e59fbaf83d2e6c414 [1,0,0,0,0,0|0,0,2]=3 129 B16R2.1480 CCc1ccccc1OCc2ncco2 6d1f2ebd1aca3918b149a871d991b617 [1,0,0,0,0,0|1,0,2]=4 130 B16R2.1480 CCc1ccccc1OCc2nccs2 2f4a56dc119b7aee33041037cde86b92 [1,0,0,0,0,0|1,0,2]=4 131 B16R2.1480 CCc1ccccc1OCc2ncno2 3132d0dd5a1600d3b812f674c479d7eb [1,0,0,0,0,0|2,0,1]=4 132 B16R2.1480 CCc1ccccc1OCc2ncon2 44e24dbd4aef0b973e2e3ab079715d30 [1,0,0,0,0,0|1,0,2]=4 133 B16R2.1480 CCc1ccccc1OCc2nnco2 ccbda1f016c3e952607fc063767a4526 [1,0,0,0,0,0|2,0,1]=4 134 B16R2.1480 CCc1cccnc1OCC2=CCCC2 69c2299096723962a20cfefcfcabf722 [1,0,0,0,0,0|3,0,0]=4 135 B16R2.1480 CCc1cccnc1OCc2ncc[nH]2 262878b4cd34cae94fa14346d8492a25 [1,0,0,0,0,0|1,0,2]=4 136 B16R2.1480 CCc1cccnc1OCc2nnn[nH]2 cc397f2758b0b1f1d80356e61d5e2085 [1,0,0,0,0,0|3,0,0]=4 137 B16R2.1480 CCc1ccncc1OCc2ncc[nH]2 9377b5c80d57257b6b2843686059a5cf [1,0,0,0,0,0|1,0,2]=4 138 B16R2.1480 CCc1ccncc1OCc2nnn[nH]2 de60b851b92904a4789ebd80f6eb9dc0 [1,0,0,0,0,0|3,0,0]=4 139 B16R2.1480 CCc1ncccc1OCC2=CCCC2 9670be0baec5311ef2270afe4163932a [1,0,0,0,0,0|3,0,0]=4 140 B16R2.1480 CCc1ncccc1OCc2ncc[nH]2 52ea2816111df704243e7aa9b51763a7 [1,0,0,0,0,0|1,0,2]=4 141 B16R2.1480 CCc1ncccc1OCc2nnn[nH]2 aaf0730b48a72fd1ffba1aaeeb10f921 [1,0,0,0,0,0|3,0,0]=4 142 B16R2.1480 COc1ccccc1OCc2ncc[nH]2 776d234520e77711bf5bbc2d47b3dc69 [1,0,0,0,0,0|1,0,2]=4 143 B16R2.1480 CSc1ccccc1OCc2ncc[nH]2 2e029e00673884045fcf6e26867555b3 [1,0,0,0,0,0|1,0,2]=4 144 B16R2.1480 CSc1ccccc1OCc2nnn[nH]2 b75bf53bccf7079a906464d52fcd1987 [1,0,0,0,0,0|3,0,0]=4 145 B18R2.6202 CC(C)c1ccccc1NCc2nccn2C cb78755721d4be2e360245671d5d1070 [0,1,0,0,0,0|1,0,2]=4 146 B18R2.6202 CC(C)c1ccccc1NCc2ncnn2C 25f438fc41e6969f46b0840c17c33b29 [0,1,0,0,0,0|2,0,1]=4 147 B18R2.6202 CC(C)c1ccccc1NCc2nncn2C 7c708bfed41fa0e771b98148c9266f05 [0,1,0,0,0,0|2,0,1]=4 148 B18R2.6202 CC(C)c1ccccc1OCN2CCCC2=O e53667e638ce14e4d9876b6712c00197 [0,1,0,0,0,0|3,0,0]=4 149 B18R2.6202 CC(C)c1ccccc1OCc2ccnn2C 46616cd496e6af9e5f6e292efef141e2 [0,1,0,0,0,0|2,0,1]=4 150 B18R2.6202 CC(C)c1ccccc1OCc2nccn2C cbe69ef82a4e48fb5664977263f33aa5 [0,1,0,0,0,0|0,0,2]=3 151 B18R2.6202 CC(C)c1ccccc1OCc2nnsc2Cl 19a5b44d69f83f576a49c53c3251ab81 [0,1,0,0,0,0|3,0,0]=4 152 B18R2.6202 CC(C)c1cnccc1OCc2nccn2C 90d828267e01d03e03e7b693c918c73f [0,1,0,0,0,0|1,0,2]=4 153 B18R2.6202 CC(C)c1ncccc1OCc2nccn2C 0063e9a0a155070269cb350c1bf42ca2 [0,1,0,0,0,0|1,0,2]=4 154 B18R2.6202 CN(C)c1ccccc1OCc2nccn2C 660f49564de8550431eb100a0ddd4ea9 [0,1,0,0,0,0|1,0,2]=4 155 B18R2.6202 Cc1nonc1COc2ccccc2C(C)C 1ef57a252bfac5992850db70ecf6d286 [0,1,0,0,0,0|3,0,0]=4 156 B18R2.6202 Cc1ocnc1COc2ccccc2C(C)C 662cd18d9ba6d10d4dae568d160ccd77 [0,1,0,0,0,0|2,0,1]=4 157 B18R2.7149 CC(C)c1ccccc1N(C)Cc2ncc[nH]2 e1975c1ca45add0c15aec43f4753615f [0,1,0,0,0,0|1,0,2]=4 158 B18R2.7149 CC(C)c1ccccc1N(C)Cc2nnn[nH]2 38278c23c64ab63569f9732eae7552f3 [0,1,0,0,0,0|3,0,0]=4 159 B18R2.9495 CCC(C)c1ccccc1NCC2=CCCC2 7f35e10f6b0c2274c0e894da76ede869 [0,1,0,0,0,0|3,0,0]=4 160 B18R2.9495 CCC(C)c1ccccc1NCc2ncc[nH]2 ec3bc3025cb8078e38c35693cbeef885 [0,1,0,0,0,0|1,0,2]=4 161 B18R2.9495 CCC(C)c1ccccc1OCC2CCCC2 e95e393aa5a30638ac772f769c756e2e [0,1,0,0,0,0|2,0,1]=4 162 B18R2.9495 CCC(C)c1ccccc1OCC2CCCO2 53ebd780a368a8e5204e83d556689a9d [0,1,0,0,0,0|2,0,1]=4 163 B18R2.9495 CCC(C)c1ccccc1OCc2ccon2 e2b3609ae83c399c17c911c301b2af80 [0,1,0,0,0,0|2,0,1]=4 164 B18R2.9495 CCC(C)c1ccccc1OCc2cocn2 ea8e0aaa2bf74ce54a113b24f1d74ba1 [0,1,0,0,0,0|2,0,1]=4 165 B18R2.9495 CCC(C)c1ccccc1OCc2cscn2 58964aa7ee118abe005a64c13ce6f09f [0,1,0,0,0,0|2,0,1]=4 166 B18R2.9495 CCC(C)c1ccccc1OCc2nc[nH]n2 41fc7d2b63ffdeaddd33d58e543e2fd6 [0,1,0,0,0,0|1,0,2]=4 167 B18R2.9495 CCC(C)c1ccccc1OCc2ncc[nH]2 41c366da03cbb521983b95e4d3f5c4bd [0,1,0,0,0,0|0,0,2]=3 168 B18R2.9495 CCC(C)c1ccccc1OCc2ncco2 d2b2d6a140cf640a23e3acdcbe30f54f [0,1,0,0,0,0|1,0,2]=4 169 B18R2.9495 CCC(C)c1ccccc1OCc2nccs2 e899076fafb81c54ba11c75a905f5604 [0,1,0,0,0,0|1,0,2]=4 170 B18R2.9495 CCC(C)c1ccccc1OCc2ncno2 0c3cfe463ce661f2321fe04fe314d374 [0,1,0,0,0,0|2,0,1]=4 171 B18R2.9495 CCC(C)c1ccccc1OCc2ncon2 c8d216c2955d8fc69bbddf35b269ea76 [0,1,0,0,0,0|1,0,2]=4 172 B18R2.9495 COC(C)c1ccccc1NCC2=CCCC2 08263c4e193f4bb7b006bb282ed73aa6 [0,1,0,0,0,0|3,0,0]=4 173 B18R2.9495 COC(C)c1ccccc1NCc2ncc[nH]2 ba2bea5c955fc00eccc46dc0dd170093 [0,1,0,0,0,0|1,0,2]=4 174 B18R2.9495 COC(C)c1ccccc1NCc2nnn[nH]2 ed2b89f1a56fe962b8dc4ba360d2941c [0,1,0,0,0,0|3,0,0]=4 175 B18R2.14566 CC(C)(C)c1ccccc1NCC2=CCCC2 76170e080f770beeaae91375e654cc3f [0,1,0,0,0,0|3,0,0]=4 176 B18R2.14566 CC(C)(C)c1ccccc1NCc2ncc[nH]2 b3cff374e4df577b75bab27e1fd44ebd [0,1,0,0,0,0|1,0,2]=4 177 B18R2.14566 CC(C)(C)c1ccccc1NCc2ncn[nH]2 3118f09c147b6045916bc8e55ecb8f0d [0,1,0,0,0,0|2,0,1]=4 178 B18R2.14566 CC(C)(C)c1ccccc1NCc2nnn[nH]2 00c4513534e760d1045e3b7a1711c734 [0,1,0,0,0,0|3,0,0]=4 179 B18R2.14566 CC(C)(C)c1ccccc1OCC2=CCCC2 cf2eaa6e21fa87542e276badfe7eb37a [0,1,0,0,0,0|2,0,0]=3 180 B18R2.14566 CC(C)(C)c1ccccc1OCC2CCCC2 cdb1c19885e2527e296e0ca050879747 [0,1,0,0,0,0|2,0,1]=4 181 B18R2.14566 CC(C)(C)c1ccccc1OCC2CCCO2 b64a5bc71502690bd1db23fe0aae08ee [0,1,0,0,0,0|2,0,1]=4 182 B18R2.14566 CC(C)(C)c1ccccc1OCc2ccon2 6f87e7ac9222d8ddf70f2ef4f3686d3a [0,1,0,0,0,0|2,0,1]=4 183 B18R2.14566 CC(C)(C)c1ccccc1OCc2cnc[nH]2 76470271a72ed7dbe5d19c0ec3b32b1a [0,1,0,0,0,0|2,0,1]=4 184 B18R2.14566 CC(C)(C)c1ccccc1OCc2cocn2 ff642275b20dc475143d8918eacf5daf [0,1,0,0,0,0|2,0,1]=4 185 B18R2.14566 CC(C)(C)c1ccccc1OCc2cscn2 e3387d9d2e9284a65d5081e1e848e163 [0,1,0,0,0,0|2,0,1]=4 186 B18R2.14566 CC(C)(C)c1ccccc1OCc2nc[nH]n2 1a8ad185dfe15a8d40bea5cd802c4468 [0,1,0,0,0,0|1,0,2]=4 187 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncc[nH]2 16bb663a368117f5a2be3fa19d9c7a83 [0,1,0,0,0,0|0,0,2]=3 188 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncco2 885a5de195bf8cd4084194ca94e3af28 [0,1,0,0,0,0|1,0,2]=4 189 B18R2.14566 CC(C)(C)c1ccccc1OCc2nccs2 3b79b03c54b579d6f59fc805973e1b60 [0,1,0,0,0,0|1,0,2]=4 190 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncno2 1459f15ce8e914633a025411a776ae2f [0,1,0,0,0,0|2,0,1]=4 191 B18R2.14566 CC(C)(C)c1ccccc1OCc2ncon2 e217c03c4846932c2710654bfd944024 [0,1,0,0,0,0|1,0,2]=4 192 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnco2 bb6db0a5ea4a32af05a8c6ecededefcd [0,1,0,0,0,0|2,0,1]=4 193 B18R2.14566 CC(C)(C)c1ccccc1OCc2nnn[nH]2 ffa5c22ce1447d6ccf40d332fb885abd [0,1,0,0,0,0|2,0,0]=3 194 B18R2.14566 CC(C)(C)c1ncccc1OCC2=CCCC2 5483bc9a0e1d7836778a18cb5df90530 [0,1,0,0,0,0|3,0,0]=4 195 B18R2.14566 CC(C)(C)c1ncccc1OCc2ncc[nH]2 c0145bb003ed8d7b0a70bbad6b9c50bb [0,1,0,0,0,0|1,0,2]=4 196 B18R2.14566 CC(C)(C)c1ncccc1OCc2nnn[nH]2 ead2e64f75112dffb38f15497f809841 [0,1,0,0,0,0|3,0,0]=4 197 B18R2.14566 CC(C)(F)c1ccccc1NCc2ncc[nH]2 8da24aa0755c943f984b1309cdeca903 [0,1,0,0,0,0|1,0,2]=4 198 B18R2.14566 CC(C)(F)c1ccccc1NCc2ncn[nH]2 f6654e03439be2aafc73c5591503b5c1 [0,1,0,0,0,0|2,0,1]=4 199 B18R2.14566 CC(C)(F)c1ccccc1NCc2nnn[nH]2 b539ce9c23715b33f5b7402d57aae425 [0,1,0,0,0,0|3,0,0]=4 200 B18R2.14566 CC(C)(O)c1ccccc1NCC2=CCCC2 c265e160a8bdb3e4529b04ccadd14966 [0,1,0,0,0,0|3,0,0]=4 201 B18R2.14566 CC(C)(O)c1ccccc1NCc2ncc[nH]2 0e793ca2ea52b10735d8724196978bdd [0,1,0,0,0,0|1,0,2]=4 202 B18R2.14566 CC(C)(O)c1ccccc1NCc2ncn[nH]2 b903d336c0f11ad9eb509b2c873071cf [0,1,0,0,0,0|2,0,1]=4 203 B18R2.14566 CC(C)(O)c1ccccc1NCc2nnn[nH]2 0e2a6a09846bf5c7b0cccf9dbd84b8d7 [0,1,0,0,0,0|3,0,0]=4 204 B18R2.14566 CC(F)(F)c1ccccc1OCC2=CCCC2 658b67d52461667ededd739557324a33 [0,1,0,0,0,0|3,0,0]=4 205 B18R2.14566 CC(F)(F)c1ccccc1OCc2ncc[nH]2 ad5855e564b8926e2bbe5aefedab8ff2 [0,1,0,0,0,0|1,0,2]=4 206 B18R2.14566 CC(F)(F)c1ccccc1OCc2nnn[nH]2 54e525cbbdfdb9982a5952dc27fe143c [0,1,0,0,0,0|3,0,0]=4 207 B18R2.29411 CC(C)c1ccccc1OCC2CCC(=O)N2 bbca92e47b171a8b534e66705be46f21 [0,1,0,0,0,0|1,0,2]=4 208 B18R2.29411 CC(C)c1ccccc1OC[C@@H]2CCC(=O)N2 228c3bc3fdddde177d7422980808fac4 [0,1,0,0,0,0|1,0,2]=4 209 B18R2.29411 CC(C)c1ccccc1OC[C@H]2CCC(=O)N2 27ab3bd142f2861dcf02cc385d0bb50d [0,1,0,0,0,0|1,0,2]=4 210 B18R2.29411 CC(C)c1ccccc1OCc2cc(sn2)Br 07f511480271f3295c1fe819aa7123e0 [0,1,0,0,0,0|2,0,1]=4 211 B18R2.29411 CC(C)c1ccccc1OCc2ccn(n2)C 4aa4eb70bd1a98c7f33c6a8294af74f2 [0,1,0,0,0,0|2,0,1]=4 212 B18R2.29411 CC(C)c1ccccc1OCc2cnn(n2)C 5af48edb43b555905990322093197064 [0,1,0,0,0,0|3,0,0]=4 213 B18R2.29411 CC(C)c1ccccc1OCc2csc(n2)Br c53547821153115463ce2a8d95a3eb5b [0,1,0,0,0,0|2,0,1]=4 214 B18R2.29411 CC(C)c1ccccc1OCc2nc(cs2)Br f2e9b8053ef3611019e8c85f080e0880 [0,1,0,0,0,0|1,0,2]=4 215 B18R2.29411 CC(C)c1ccccc1OCc2nc(no2)Br 5c969aafdb6c48796ceb11271745c993 [0,1,0,0,0,0|2,0,1]=4 216 B18R2.29411 CC(C)c1ccccc1OCc2ncc(o2)Br f31aa4f9942d41816e1e5e3e734346ad [0,1,0,0,0,0|1,0,2]=4 217 B18R2.29411 CC(C)c1ccccc1OCc2ncc(s2)Br ec2e9ecfda58dbc31cda7700488fd26a [0,1,0,0,0,0|1,0,2]=4 218 B18R2.29411 CC(C)c1ccccc1OCc2ncc(s2)Cl 9faa2133e6ea4375fcef7b2ad63398f0 [0,1,0,0,0,0|1,0,2]=4 219 B18R2.29411 CC(C)c1ccccc1OCc2nnc(s2)Br 311358ab5d016f5ccec6c2d10ee57f53 [0,1,0,0,0,0|2,0,1]=4 220 B18R2.29411 CC(C)c1ccccc1OCc2nsc(n2)Cl 945bd506c4001267fd38cf74f64b3d0d [0,1,0,0,0,0|1,0,2]=4 221 B18R2.29411 CC(C)c1ncccc1OCc2n[nH]c(=O)[nH]2 f414ffa7142b855a658404e4562fef62 [0,1,0,0,0,0|2,0,1]=4 222 B18R2.29411 Cc1cc(no1)COc2ccccc2C(C)C f38caea6ad3a293b9261ff90acce299f [0,1,0,0,0,0|2,0,1]=4 223 B18R2.29411 Cc1cnc(o1)COc2ccccc2C(C)C 11d357e990537a9b1a97609637d78a8e [0,1,0,0,0,0|1,0,2]=4 224 B18R2.29411 Cc1csc(n1)COc2ccccc2C(C)C 5eeb69d4944a00e069a481570909a572 [0,1,0,0,0,0|1,0,2]=4 225 B18R2.29411 Cc1nc(no1)COc2ccccc2C(C)C 6cc0fe8e5ac248f4a4ec43fcf1794882 [0,1,0,0,0,0|1,0,2]=4 226 B18R2.29411 Cc1nnc(o1)COc2ccccc2C(C)C cd81a1cbd20dcb02071a87d1564fa627 [0,1,0,0,0,0|2,0,1]=4 227 B18R2.39218 CC(C)c1cccc(c1NCC2=CCCC2)Cl d74ace68e6eaba28a97992e1d84f699c [0,1,0,0,0,0|3,0,0]=4 228 B18R2.39218 CC(C)c1cccc(c1NCC2=CCCC2)F a1da17a1595f135749c56d7be63d3018 [0,1,0,0,0,0|3,0,0]=4 229 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Br 92f554988a283ee977427ae4b7f9fd74 [0,1,0,0,0,0|1,0,2]=4 230 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)Cl 47e7ea83f59659e2db944c09913ab660 [0,1,0,0,0,0|1,0,2]=4 231 B18R2.39218 CC(C)c1cccc(c1NCc2ncc[nH]2)F 8631bb78ad45066e3578685993ffac99 [0,1,0,0,0,0|1,0,2]=4 232 B18R2.39218 CC(C)c1cccc(c1OCC2CCCC2)Cl aecba710c4b11dc12fa8a3a6b83dd573 [0,1,0,0,0,0|2,0,1]=4 233 B18R2.39218 CC(C)c1cccc(c1OCC2CCCC2)I 22769c9215bfd275bfc3a841764af9c0 [0,1,0,0,0,0|2,0,1]=4 234 B18R2.39218 CC(C)c1cccc(c1OCC2CCCO2)Cl 90639f5e25f8a6e63f86477a8ceb7ad5 [0,1,0,0,0,0|2,0,1]=4 235 B18R2.39218 CC(C)c1cccc(c1OCC2CCCO2)I af71e9314cc4f9611cd9791907fd69a6 [0,1,0,0,0,0|2,0,1]=4 236 B18R2.39218 CC(C)c1cccc(c1OCc2ccon2)Br 662e70e0f790f85ec326640a76272de1 [0,1,0,0,0,0|2,0,1]=4 237 B18R2.39218 CC(C)c1cccc(c1OCc2ccon2)Cl 27852055b6e5ee3791da8bdeef991efe [0,1,0,0,0,0|2,0,1]=4 238 B18R2.39218 CC(C)c1cccc(c1OCc2ccon2)I 26b157835896962c3b11a20be68398d4 [0,1,0,0,0,0|2,0,1]=4 239 B18R2.39218 CC(C)c1cccc(c1OCc2cocn2)Br 2b102c2323a825162b1c1201be95deb6 [0,1,0,0,0,0|2,0,1]=4 240 B18R2.39218 CC(C)c1cccc(c1OCc2cocn2)Cl 57478a058493ed96d213102ab8e61603 [0,1,0,0,0,0|2,0,1]=4 241 B18R2.39218 CC(C)c1cccc(c1OCc2cocn2)I 8f60ff6d04895e9e4b4d617317d428d4 [0,1,0,0,0,0|2,0,1]=4 242 B18R2.39218 CC(C)c1cccc(c1OCc2cscn2)Br eab9f839cca382ac4d2130a464efab7e [0,1,0,0,0,0|2,0,1]=4 243 B18R2.39218 CC(C)c1cccc(c1OCc2cscn2)Cl cb0d9f6fb81b03accda612ad2503e6a9 [0,1,0,0,0,0|2,0,1]=4 244 B18R2.39218 CC(C)c1cccc(c1OCc2cscn2)I 3da14525eb7bf2538a607b53cd4cf509 [0,1,0,0,0,0|2,0,1]=4 245 B18R2.39218 CC(C)c1cccc(c1OCc2nc[nH]n2)Br 3c96668b0625f3ce002043cbd8d3b6ef [0,1,0,0,0,0|1,0,2]=4 246 B18R2.39218 CC(C)c1cccc(c1OCc2nc[nH]n2)Cl 71af218e9b02d40767eb16b80f32f89b [0,1,0,0,0,0|1,0,2]=4 247 B18R2.39218 CC(C)c1cccc(c1OCc2nc[nH]n2)I 4620a74f986f390ada897df3692889cc [0,1,0,0,0,0|1,0,2]=4 248 B18R2.39218 CC(C)c1cccc(c1OCc2ncc[nH]2)Br 673e56bac5da4ead8a7393077196dd60 [0,1,0,0,0,0|0,0,2]=3 249 B18R2.39218 CC(C)c1cccc(c1OCc2ncc[nH]2)Cl f82289d193b28aa8f500793ddeed94cf [0,1,0,0,0,0|0,0,2]=3 250 B18R2.39218 CC(C)c1cccc(c1OCc2ncc[nH]2)I 851bac29165cdcef278e1ead020bb124 [0,1,0,0,0,0|0,0,2]=3 251 B18R2.39218 CC(C)c1cccc(c1OCc2ncco2)Br 33a97740cc10f74bfb11411db59c0333 [0,1,0,0,0,0|1,0,2]=4 252 B18R2.39218 CC(C)c1cccc(c1OCc2ncco2)Cl da4333c3f9c96483d3452db0ba31912e [0,1,0,0,0,0|1,0,2]=4 253 B18R2.39218 CC(C)c1cccc(c1OCc2ncco2)I c3b5748b9249e4d5a84a6c668ccfd150 [0,1,0,0,0,0|1,0,2]=4 254 B18R2.39218 CC(C)c1cccc(c1OCc2nccs2)Br bbf299c4a6b8e5072c80bef2c5648449 [0,1,0,0,0,0|1,0,2]=4 255 B18R2.39218 CC(C)c1cccc(c1OCc2nccs2)Cl 1e30cfc2c1e36e6519a9882b3543baa7 [0,1,0,0,0,0|1,0,2]=4 256 B18R2.39218 CC(C)c1cccc(c1OCc2nccs2)I 7c6a5583f6c9411292612a1c363fe97c [0,1,0,0,0,0|1,0,2]=4 257 B18R2.39218 CC(C)c1cccc(c1OCc2ncno2)Br 379e50f8bd5ad3c9cff738fd45d2154a [0,1,0,0,0,0|2,0,1]=4 258 B18R2.39218 CC(C)c1cccc(c1OCc2ncno2)Cl b347662676ebe3aa6602bb0d7c8c4414 [0,1,0,0,0,0|2,0,1]=4 259 B18R2.39218 CC(C)c1cccc(c1OCc2ncno2)I 5478c668dfa8d8479c0c9f2f3dfb9d56 [0,1,0,0,0,0|2,0,1]=4 260 B18R2.39218 CC(C)c1cccc(c1OCc2ncon2)Br d621cb6f5989dce44e697bd4bf771964 [0,1,0,0,0,0|1,0,2]=4 261 B18R2.39218 CC(C)c1cccc(c1OCc2ncon2)Cl f6ef93371dbe07434a7ed2282bd64bc0 [0,1,0,0,0,0|1,0,2]=4 262 B18R2.39218 CC(C)c1cccc(c1OCc2ncon2)I 346ef127bb2421fbeebd66055e0409b1 [0,1,0,0,0,0|1,0,2]=4 263 B18R2.39218 CC(C)c1cccc(c1OCc2nnco2)Cl 81422fec5cfbefbf8ca119c75fc81051 [0,1,0,0,0,0|2,0,1]=4 264 B18R2.39218 CC(C)c1cccc(c1OCc2nnco2)I bbf73b121f90aeaf7b098f7fd525500e [0,1,0,0,0,0|2,0,1]=4 265 B18R2.39218 CC(C)c1cccc(c1OCc2nnn[nH]2)Cl 6b50f852cacbf32ff950644fa50c9bec [0,1,0,0,0,0|2,0,0]=3 266 B18R2.39218 Cc1cccc(c1NCC2=CCCC2)C(C)C 87ac1ed5494214a6a200dc09eaf85015 [0,1,0,0,0,0|3,0,0]=4 267 B18R2.39218 Cc1cccc(c1NCc2ncc[nH]2)C(C)C 2ec34eb89b573e3c9c0cd1e5c0b5e386 [0,1,0,0,0,0|1,0,2]=4 268 B18R2.39218 Cc1cccc(c1NCc2nnn[nH]2)C(C)C 3a104116206b5d9a3770d41ea72c7926 [0,1,0,0,0,0|3,0,0]=4 269 B18R2.39218 Cc1cccc(c1OCC2=CCCC2)C(C)C 765dd47ea1454977e1ba23149f0c71e8 [0,1,0,0,0,0|2,0,0]=3 270 B18R2.39218 Cc1cccc(c1OCC2CCCC2)C(C)C de61d51391717d1e6a77273f46fab06f [0,1,0,0,0,0|2,0,1]=4 271 B18R2.39218 Cc1cccc(c1OCC2CCCO2)C(C)C 2a278336fe0822680625ca58cf3804c6 [0,1,0,0,0,0|2,0,1]=4 272 B18R2.39218 Cc1cccc(c1OCc2ccon2)C(C)C 6dc7dc1b1158c8ac3a82bddb47074d2f [0,1,0,0,0,0|2,0,1]=4 273 B18R2.39218 Cc1cccc(c1OCc2cnc[nH]2)C(C)C 9ed7e6fc33d59a233f04865775f1bf73 [0,1,0,0,0,0|2,0,1]=4 274 B18R2.39218 Cc1cccc(c1OCc2cocn2)C(C)C 62200bb0cedd0db1b2f148fa837e82f0 [0,1,0,0,0,0|2,0,1]=4 275 B18R2.39218 Cc1cccc(c1OCc2cscn2)C(C)C b5acde8655c23b59c5d192f68a92c8a5 [0,1,0,0,0,0|2,0,1]=4 276 B18R2.39218 Cc1cccc(c1OCc2nc[nH]n2)C(C)C 12d9597b8b75be360e80cb9e46e761bb [0,1,0,0,0,0|1,0,2]=4 277 B18R2.39218 Cc1cccc(c1OCc2ncc[nH]2)C(C)C 07685b74341a7da4f649bac3cff79489 [0,1,0,0,0,0|0,0,2]=3 278 B18R2.39218 Cc1cccc(c1OCc2ncco2)C(C)C d730c84c155d0235d14240e8f39b5fa8 [0,1,0,0,0,0|1,0,2]=4 279 B18R2.39218 Cc1cccc(c1OCc2nccs2)C(C)C b684a1c8976b0285b5b1fda5b181624a [0,1,0,0,0,0|1,0,2]=4 280 B18R2.39218 Cc1cccc(c1OCc2ncno2)C(C)C cfc7fa1edb3db54c3b07f890de367e1a [0,1,0,0,0,0|2,0,1]=4 281 B18R2.39218 Cc1cccc(c1OCc2ncon2)C(C)C e59f4895d34cd888240f05c4e1d692ec [0,1,0,0,0,0|1,0,2]=4 282 B18R2.39218 Cc1cccc(c1OCc2nnco2)C(C)C 03fd19ae3058aaabf48c88adc8615e48 [0,1,0,0,0,0|2,0,1]=4 283 B18R2.39218 Cc1cccc(c1OCc2nnn[nH]2)C(C)C b68f56597b87dab024bafa5edebaeeef [0,1,0,0,0,0|2,0,0]=3 284 B18R2.65599 CC(C)c1c(cccc1OCC2=CCCC2)F 7f71450a4c6633763780495abce10636 [0,1,0,0,0,0|2,0,0]=3 285 B18R2.65599 CC(C)c1c(cccc1OCC2CCCC2)F 4cf28462efefc366da29814aac8eb86d [0,1,0,0,0,0|2,0,1]=4 286 B18R2.65599 CC(C)c1c(cccc1OCC2CCCO2)F 3381c70b71f160130b01f1658bfb303e [0,1,0,0,0,0|2,0,1]=4 287 B18R2.65599 CC(C)c1c(cccc1OCc2ccon2)F 0f901b746a1858854efef99ab8b6ef3a [0,1,0,0,0,0|2,0,1]=4 288 B18R2.65599 CC(C)c1c(cccc1OCc2cocn2)F 116b2a0a75daa94afbcfac105f8830be [0,1,0,0,0,0|2,0,1]=4 289 B18R2.65599 CC(C)c1c(cccc1OCc2cscn2)F 272276083eb0d95865da3f999858a052 [0,1,0,0,0,0|2,0,1]=4 290 B18R2.65599 CC(C)c1c(cccc1OCc2nc[nH]n2)F f6df0009223ecc3100fd1b9d8fe22e88 [0,1,0,0,0,0|1,0,2]=4 291 B18R2.65599 CC(C)c1c(cccc1OCc2ncc[nH]2)F 3dff24a42cd27929e3ac03314783d1bd [0,1,0,0,0,0|0,0,2]=3 292 B18R2.65599 CC(C)c1c(cccc1OCc2ncco2)F 8f0aa63e7c0adf1a558eb4f5668727b4 [0,1,0,0,0,0|1,0,2]=4 293 B18R2.65599 CC(C)c1c(cccc1OCc2nccs2)F 52a87d90acfbbf196b7010d3b86c229f [0,1,0,0,0,0|1,0,2]=4 294 B18R2.65599 CC(C)c1c(cccc1OCc2ncno2)F 514da9b3d77c2086ba2ff60db1fd76eb [0,1,0,0,0,0|2,0,1]=4 295 B18R2.65599 CC(C)c1c(cccc1OCc2ncon2)F 7d778ce889bebb9cd2fb70574f3a2bc1 [0,1,0,0,0,0|1,0,2]=4 296 B18R2.65599 CC(C)c1c(cccc1OCc2nnco2)F a45d60d3327a88b1d50c831049443beb [0,1,0,0,0,0|2,0,1]=4 297 B18R2.65599 CC(C)c1c(cccc1OCc2nnn[nH]2)F e83e15fcda1621bcb055251454a7c39a [0,1,0,0,0,0|2,0,0]=3 298 B18R2.66887 CC(C)c1cc(ccc1NCC2=CCCC2)F f068d339b4972a45393e5c0c93237ac4 [0,1,0,0,0,0|3,0,0]=4 299 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)Br 24bc464d5ec65a0c0d33942da3a5d313 [0,1,0,0,0,0|1,0,2]=4 300 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)F 79bb7113c70700b1d74d1ce57633b56f [0,1,0,0,0,0|1,0,2]=4 301 B18R2.66887 CC(C)c1cc(ccc1NCc2ncc[nH]2)O 9792edcc96a0dc56b81ca150e866072f [0,1,0,0,0,0|1,0,2]=4 302 B18R2.66887 CC(C)c1cc(ccc1NCc2ncn[nH]2)O 0f383af2d2ab6c7c64549c7b945d3e05 [0,1,0,0,0,0|2,0,1]=4 303 B18R2.66887 CC(C)c1cc(ccc1NCc2nnn[nH]2)F d13392416fe5439c8d3d7ef8dc693026 [0,1,0,0,0,0|3,0,0]=4 304 B18R2.66887 CC(C)c1cc(ccc1OCC2CCCC2)I eb66647a31285478789c2ea68b90e3c1 [0,1,0,0,0,0|2,0,1]=4 305 B18R2.66887 CC(C)c1cc(ccc1OCC2CCCO2)I 7deb0c59805aecf35dac353e445d682f [0,1,0,0,0,0|2,0,1]=4 306 B18R2.66887 CC(C)c1cc(ccc1OCc2ccon2)Br b8a00f914941e9ae0af97d7fa3bfe51e [0,1,0,0,0,0|2,0,1]=4 307 B18R2.66887 CC(C)c1cc(ccc1OCc2ccon2)Cl 7b6bf579cfaf447f248132a7a15a24e2 [0,1,0,0,0,0|2,0,1]=4 308 B18R2.66887 CC(C)c1cc(ccc1OCc2ccon2)I 9fcca384c871e77c490f5346d2049b1b [0,1,0,0,0,0|2,0,1]=4 309 B18R2.66887 CC(C)c1cc(ccc1OCc2cocn2)Br 3780cbe7b309000bec87ced0be0406f9 [0,1,0,0,0,0|2,0,1]=4 310 B18R2.66887 CC(C)c1cc(ccc1OCc2cocn2)Cl ec75cfcf7a9a2a9a5bea7316d992ae33 [0,1,0,0,0,0|2,0,1]=4 311 B18R2.66887 CC(C)c1cc(ccc1OCc2cocn2)I 20942b0e22057425a275bcd4f5756fac [0,1,0,0,0,0|2,0,1]=4 312 B18R2.66887 CC(C)c1cc(ccc1OCc2cscn2)Br fb75742c9cb4c2647af2a23de08fcabb [0,1,0,0,0,0|2,0,1]=4 313 B18R2.66887 CC(C)c1cc(ccc1OCc2cscn2)Cl 33cd5e4abed37419d832ff86c0f408ff [0,1,0,0,0,0|2,0,1]=4 314 B18R2.66887 CC(C)c1cc(ccc1OCc2cscn2)I 9cf646161f24a3027a209898bf9bea06 [0,1,0,0,0,0|2,0,1]=4 315 B18R2.66887 CC(C)c1cc(ccc1OCc2nc[nH]n2)Br 6d9246148cde4ba8ce60f3076b17db9d [0,1,0,0,0,0|1,0,2]=4 316 B18R2.66887 CC(C)c1cc(ccc1OCc2nc[nH]n2)Cl 7bcd679ccd6e55a3f0d07d371af44c0b [0,1,0,0,0,0|1,0,2]=4 317 B18R2.66887 CC(C)c1cc(ccc1OCc2nc[nH]n2)I c1d11599adeb3b783e6d01ba0f550c57 [0,1,0,0,0,0|1,0,2]=4 318 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Br 67dabbeb31a416ec3c40fe1b61762e32 [0,1,0,0,0,0|0,0,2]=3 319 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)Cl 8973bbb742aee798163d13bbd17f6c15 [0,1,0,0,0,0|0,0,2]=3 320 B18R2.66887 CC(C)c1cc(ccc1OCc2ncc[nH]2)I 02a4270571ea98f911ac3dec4ea03a65 [0,1,0,0,0,0|0,0,2]=3 321 B18R2.66887 CC(C)c1cc(ccc1OCc2ncco2)Br 6c32d26c741bda4201373b732bbfdba3 [0,1,0,0,0,0|1,0,2]=4 322 B18R2.66887 CC(C)c1cc(ccc1OCc2ncco2)Cl f10d1088819b806652279d06d4aca2f7 [0,1,0,0,0,0|1,0,2]=4 323 B18R2.66887 CC(C)c1cc(ccc1OCc2ncco2)I 05930acb4e92720549c3f4a28b9a6327 [0,1,0,0,0,0|1,0,2]=4 324 B18R2.66887 CC(C)c1cc(ccc1OCc2nccs2)Br 4a05f5d5aadbd28e0860e37f158d8c03 [0,1,0,0,0,0|1,0,2]=4 325 B18R2.66887 CC(C)c1cc(ccc1OCc2nccs2)Cl 4bcbcdaec87e1b117f93ba3ea3ca5f2d [0,1,0,0,0,0|1,0,2]=4 326 B18R2.66887 CC(C)c1cc(ccc1OCc2nccs2)I 80d9bf3dffedd1f819931c253fbba9c2 [0,1,0,0,0,0|1,0,2]=4 327 B18R2.66887 CC(C)c1cc(ccc1OCc2ncon2)Br a13302d2c05fc9883111f6fb5efa6066 [0,1,0,0,0,0|1,0,2]=4 328 B18R2.66887 CC(C)c1cc(ccc1OCc2ncon2)Cl c6e85e92d440f3695559e22586a107f3 [0,1,0,0,0,0|1,0,2]=4 329 B18R2.66887 CC(C)c1cc(ccc1OCc2ncon2)I 9a3f95959f071102baa9ce7483163550 [0,1,0,0,0,0|1,0,2]=4 330 B18R2.66887 CC(C)c1cc(ccc1OCc2nnco2)I 99121843fd5a9a795c0363b0c91c124a [0,1,0,0,0,0|2,0,1]=4 331 B18R2.66887 CC(C)c1cc(ccc1OCc2nnn[nH]2)I 9d20ad74c99330b58dff4decee6b60da [0,1,0,0,0,0|2,0,0]=3 332 B18R2.66887 CN(C)c1cc(ccc1OCc2ncc[nH]2)Cl c561812b76a8de54aa4c4b259a61aeae [0,1,0,0,0,0|1,0,2]=4 333 B18R2.66887 CN(C)c1cc(ccc1OCc2nnn[nH]2)Cl b3f6c4874225e15a234107be0ac36d10 [0,1,0,0,0,0|3,0,0]=4 334 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCC2CCCO2 c930b4488ead42b0db63ae96199cdaa3 [0,1,0,0,0,0|2,0,1]=4 335 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2ccon2 902f43f366a60b44ca4e72d97febab53 [0,1,0,0,0,0|2,0,1]=4 336 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2cocn2 5cfb3649eff6e32cb0716e5119860c79 [0,1,0,0,0,0|2,0,1]=4 337 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2cscn2 59ca19c4493dc46882217812aa53dc1f [0,1,0,0,0,0|2,0,1]=4 338 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2nc[nH]n2 fa777452b1aa239cd0dd974fb1f1e85d [0,1,0,0,0,0|1,0,2]=4 339 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2ncc[nH]2 2fe8d801f2438ccf6bcdfba6b426a014 [0,1,0,0,0,0|0,0,2]=3 340 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2ncco2 39863102e5f01b60a39451f7f18f8ca7 [0,1,0,0,0,0|1,0,2]=4 341 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2nccs2 ab9311e5b44d81be6c613a4d6ac07b7a [0,1,0,0,0,0|1,0,2]=4 342 B18R2.66887 Cc1ccc(c(c1)C(C)C)OCc2ncon2 3ce7407b2382da506974da0140c2c496 [0,1,0,0,0,0|1,0,2]=4 343 B18R2.67047 CC(C)c1ccc(cc1NCC2=CCCC2)Cl 5d65f905b17551a320905e44779f016a [0,1,0,0,0,0|3,0,0]=4 344 B18R2.67047 CC(C)c1ccc(cc1NCC2=CCCC2)F 95f543ae719fdd1cf89cf9f6628449d8 [0,1,0,0,0,0|3,0,0]=4 345 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)Br 805db8b5beb03b72f866034b031a7a91 [0,1,0,0,0,0|1,0,2]=4 346 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)Cl 382b9a1be952d13ca22373a21a9b3b9e [0,1,0,0,0,0|1,0,2]=4 347 B18R2.67047 CC(C)c1ccc(cc1NCc2ncc[nH]2)F 806e9562ff8447f295e2c0988b722be3 [0,1,0,0,0,0|1,0,2]=4 348 B18R2.67047 CC(C)c1ccc(cc1NCc2ncn[nH]2)F 59366bbd08a7be2036752f53077da8d6 [0,1,0,0,0,0|2,0,1]=4 349 B18R2.67047 CC(C)c1ccc(cc1NCc2nnn[nH]2)Cl 80eece6556871e65416575f95422a5d2 [0,1,0,0,0,0|3,0,0]=4 350 B18R2.67047 CC(C)c1ccc(cc1NCc2nnn[nH]2)F d6829a8b17422a1b695bc707e9e599fb [0,1,0,0,0,0|3,0,0]=4 351 B18R2.67047 CC(C)c1ccc(cc1OCC2CCCC2)Br 59b02801ded45be0817ed02ec6dff980 [0,1,0,0,0,0|2,0,1]=4 352 B18R2.67047 CC(C)c1ccc(cc1OCC2CCCO2)Br b7cb995df3269851ba649a0626a229a5 [0,1,0,0,0,0|2,0,1]=4 353 B18R2.67047 CC(C)c1ccc(cc1OCc2ccon2)Br 6255e2b097014a98d024eb305dbb55a9 [0,1,0,0,0,0|2,0,1]=4 354 B18R2.67047 CC(C)c1ccc(cc1OCc2cocn2)Br 7c82e30996424141bd30f6ba640a062c [0,1,0,0,0,0|2,0,1]=4 355 B18R2.67047 CC(C)c1ccc(cc1OCc2cscn2)Br a536c70aa68f0464f921e17ce7139a82 [0,1,0,0,0,0|2,0,1]=4 356 B18R2.67047 CC(C)c1ccc(cc1OCc2nc[nH]n2)Br fda830f219b61641559b8ca992db713c [0,1,0,0,0,0|1,0,2]=4 357 B18R2.67047 CC(C)c1ccc(cc1OCc2ncc[nH]2)Br 1c837160c78d236ee17dd74cc0f488f0 [0,1,0,0,0,0|0,0,2]=3 358 B18R2.67047 CC(C)c1ccc(cc1OCc2ncco2)Br e2887ea9ae9d51ec16a2314491e4178b [0,1,0,0,0,0|1,0,2]=4 359 B18R2.67047 CC(C)c1ccc(cc1OCc2nccs2)Br fc9c7d03245ee69e2c1c0119a60dd7c0 [0,1,0,0,0,0|1,0,2]=4 360 B18R2.67047 CC(C)c1ccc(cc1OCc2ncno2)Br 9cb5ead33817dea10a23fbf2bfef133b [0,1,0,0,0,0|2,0,1]=4 361 B18R2.67047 CC(C)c1ccc(cc1OCc2ncon2)Br 08943661e02ebdea2bbbfc4b2814fdcc [0,1,0,0,0,0|1,0,2]=4 362 B18R2.67047 CN(C)c1ccc(cc1OCc2ncc[nH]2)Cl 9439a1ec45a644ed6aef125cacbe8ae8 [0,1,0,0,0,0|1,0,2]=4 363 B18R2.67047 CN(C)c1ccc(cc1OCc2nnn[nH]2)Cl e411198f8a68fab1570d2f5a61e79c6b [0,1,0,0,0,0|3,0,0]=4 364 B18R2.67047 Cc1ccc(c(c1)NCC2=CCCC2)C(C)C 46d04a5087892026c47f5247b3362df9 [0,1,0,0,0,0|3,0,0]=4 365 B18R2.67047 Cc1ccc(c(c1)NCc2ncc[nH]2)C(C)C 74bc2b72e925b74835f9cc3225ab56b2 [0,1,0,0,0,0|1,0,2]=4 366 B18R2.67047 Cc1ccc(c(c1)NCc2ncn[nH]2)C(C)C e367a49a915cef117dbf4b18b9e647f9 [0,1,0,0,0,0|2,0,1]=4 367 B18R2.67047 Cc1ccc(c(c1)NCc2nnn[nH]2)C(C)C e637b780d6f22b33516a72eefab1f3b9 [0,1,0,0,0,0|3,0,0]=4 368 B18R2.67047 Cc1ccc(c(c1)OCC2CCCC2)C(C)C 1f72ac305e8bb494cd1082fd6cb4e006 [0,1,0,0,0,0|2,0,1]=4 369 B18R2.67047 Cc1ccc(c(c1)OCC2CCCO2)C(C)C 84b93916a8d9809369063213ea9837b9 [0,1,0,0,0,0|2,0,1]=4 370 B18R2.67047 Cc1ccc(c(c1)OCc2ccon2)C(C)C 12c46c749793b7e626975512f298aa39 [0,1,0,0,0,0|2,0,1]=4 371 B18R2.67047 Cc1ccc(c(c1)OCc2cocn2)C(C)C 768fd751768c775a97ff655e6483753b [0,1,0,0,0,0|2,0,1]=4 372 B18R2.67047 Cc1ccc(c(c1)OCc2cscn2)C(C)C 77b45bb89345a961921460566f342d4e [0,1,0,0,0,0|2,0,1]=4 373 B18R2.67047 Cc1ccc(c(c1)OCc2nc[nH]n2)C(C)C c8ee74c48cc006a0a1bc96c94a78d8a4 [0,1,0,0,0,0|1,0,2]=4 374 B18R2.67047 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)C c887f0712d583d5bd872e97d2d074994 [0,1,0,0,0,0|0,0,2]=3 375 B18R2.67047 Cc1ccc(c(c1)OCc2ncco2)C(C)C ec810ad3626ce71d881192d962d0e9f8 [0,1,0,0,0,0|1,0,2]=4 376 B18R2.67047 Cc1ccc(c(c1)OCc2nccs2)C(C)C c2054c245c2e9857b096623083d78ee6 [0,1,0,0,0,0|1,0,2]=4 377 B18R2.67047 Cc1ccc(c(c1)OCc2ncon2)C(C)C d618b79ba7fa55139e1a7a47f08aa2b8 [0,1,0,0,0,0|1,0,2]=4 378 B18R2.562147 CC(C)c1ccccc1OCC2(CCCC2)C a9245bf2d5918b5a792b171d7377dbc7 [0,1,0,0,0,0|2,0,1]=4 379 B18R2.562147 CC(C)c1ccccc1OCC2(CCCC2)F 4f2fcc95829018305fb4ffe4a6138fef [0,1,0,0,0,0|2,0,1]=4 380 B16R1.3900 C#CCNCCOc1ccccc1C(C)C 718c4758db92129c885289a1acc2230f [0,0,1,0,0,0|1,0,2]=4 381 B16R1.3900 CC(C)c1ccccc1OCCCCCF 3503695d0f88dbe4158b4f5bff95149f [0,0,1,0,0,0|2,0,1]=4 382 B16R1.3900 CC(C)c1ccccc1OCCNCC#N a498527f654fe6ec4e0c05088190518a [0,0,1,0,0,0|0,0,3]=4 383 B16R1.3900 CC(C)c1ccccc1OCCNCCBr 292701b6a75b898f8d501fdc9c5d77fc [0,0,1,0,0,0|1,0,1]=3 384 B16R1.3900 CC(C)c1ccccc1OCCNCCF 3a19114866e95b69e9ac88f4d7d4fba5 [0,0,1,0,0,0|1,0,1]=3 385 B16R1.3900 CC(C)c1ccccc1OCCNCCI c88a4e7906d566443262e642f7ae17ce [0,0,1,0,0,0|1,0,1]=3 386 B16R1.3900 CC(C)c1ccccc1OCCNCCO b3cace0062bd1ccf1472e0a6e148df1d [0,0,1,0,0,0|1,0,1]=3 387 B16R1.3900 CC(C)c1ccccc1OCCNCCS 909533eefb2641fa682eee347cd82c0f [0,0,1,0,0,0|1,0,1]=3 388 B16R1.3900 CC(C)c1ccccc1OCCOCCF f9c5c6cd15c59173da2290d575552040 [0,0,1,0,0,0|2,0,1]=4 389 B16R1.3900 CC(C)c1ccccc1OCCOCCS eec08339a2725c98b392222678dc8d10 [0,0,1,0,0,0|2,0,1]=4 390 B16R1.3900 CCC/C=C/CNc1ccccc1C(C)C e2423fd7377b5bcba536f6e3d6b645f8 [0,0,1,0,0,0|3,0,0]=4 391 B16R1.3900 CCC/C=C/COc1ccccc1C(C)C 72a89e65408bffde9fc19e693621ae13 [0,0,1,0,0,0|2,0,0]=3 392 B16R1.3900 CCC/C=C/COc1ccccc1N(C)C 80f0ef2625fe6f832cc719918e80819a [0,0,1,0,0,0|3,0,0]=4 393 B16R1.3900 CCC/C=C/COc1cccnc1C(C)C 957ce10d7358e7e0a4b2745b2deb929e [0,0,1,0,0,0|3,0,0]=4 394 B16R1.3900 CCC/C=C/COc1ccncc1C(C)C 62748dd4bb4bfffb9065acf9d4bcbe37 [0,0,1,0,0,0|3,0,0]=4 395 B16R1.3900 CCC/C=C\CNc1ccccc1C(C)C 35290ad4ff3802b98a32f3cca04314a4 [0,0,1,0,0,0|3,0,0]=4 396 B16R1.3900 CCC/C=C\COc1ccccc1C(C)C 00d6685886cdb8cab47104fd659928e2 [0,0,1,0,0,0|2,0,0]=3 397 B16R1.3900 CCC/C=C\COc1ccccc1N(C)C 1bbf3a7bc8669b0d97d03de69c9633f4 [0,0,1,0,0,0|3,0,0]=4 398 B16R1.3900 CCC/C=C\COc1cccnc1C(C)C edb3e84a53dd642cf4b1347c9b48fd1f [0,0,1,0,0,0|3,0,0]=4 399 B16R1.3900 CCC/C=C\COc1ccncc1C(C)C 93b913146fa2a64a8716374f63edc817 [0,0,1,0,0,0|3,0,0]=4 400 B16R1.3900 CCCCCCOc1ccccc1C(C)C 19f59b9251df4427a85d4a70cf50b210 [0,0,1,0,0,0|2,0,1]=4 401 B16R1.3900 CCCNCCOc1ccccc1C(C)C 637d9f9074eddc49ba8ae1cbe164d467 [0,0,1,0,0,0|1,0,1]=3 402 B16R1.3900 CCCOCCOc1ccccc1C(C)C e96bc0463f5cf7a068cb2b7c55bcd7b9 [0,0,1,0,0,0|2,0,1]=4 403 B16R1.4440 CCCC(=O)CNc1ccccc1C(C)C ad06f4d8d8ac98cc974847237a7b6ea6 [0,0,1,0,0,0|3,0,0]=4 404 B16R1.4440 CCCC(=O)COc1ccccc1N(C)C 1d28d2dfefc4b93615f8f8ca5a45d583 [0,0,1,0,0,0|3,0,0]=4 405 B16R1.4440 CCCC(=O)COc1cccnc1C(C)C 3207a030e1e67ead5423c6785d27d78e [0,0,1,0,0,0|3,0,0]=4 406 B16R1.4440 CCCC(C)COc1ccccc1C(C)C aeee420dc20d51859543ca1df530f7d5 [0,0,1,0,0,0|2,0,1]=4 407 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)C 743c0ed1e164d7bccc26067536c98d39 [0,0,1,0,0,0|2,0,0]=3 408 B16R1.4440 CCNC(=O)CNc1ccccc1C(C)O a7aa78bc7c9f0d3dffb32848f6a92456 [0,0,1,0,0,0|3,0,0]=4 409 B16R1.4440 CCNC(=O)CNc1ccccc1N(C)C 8bcfc8ba20482ec914d77ec66903d2c8 [0,0,1,0,0,0|3,0,0]=4 410 B16R1.4440 CCNC(=O)CNc1ccccc1[C@@H](C)O 123086c47164c32e7f999a1a0de14176 [0,0,1,0,0,0|3,0,0]=4 411 B16R1.4440 CCNC(=O)CNc1ccccc1[C@H](C)O b58ba40e67a45f924b039aa989ecef15 [0,0,1,0,0,0|3,0,0]=4 412 B16R1.4440 CCNC(=O)CNc1cccnc1C(C)C ce6dc840fe912fc2153f178e43c5db90 [0,0,1,0,0,0|3,0,0]=4 413 B16R1.4440 CCNC(=O)CNc1ccncc1C(C)C 88661b213ca185c85d874a6717f82c30 [0,0,1,0,0,0|3,0,0]=4 414 B16R1.4440 CCNC(=O)CNc1cnccc1C(C)C bdb656550661ded92d79d5abdac9359d [0,0,1,0,0,0|3,0,0]=4 415 B16R1.4440 CCNC(=O)CNc1ncccc1C(C)C b5964e94616d9dcb255552b2b4b3026d [0,0,1,0,0,0|3,0,0]=4 416 B16R1.4440 CCNC(=O)COc1ccccc1C(=O)C 8dae10f51fdefc2411c3240203930791 [0,0,1,0,0,0|2,0,1]=4 417 B16R1.4440 CCNC(=O)COc1ccccc1C(C)C 2a3433ebf8c19c2306b9c4ea52a7c31f [0,0,1,0,0,0|1,0,0]=2 418 B16R1.4440 CCNC(=O)COc1ccccc1N(C)C 698c3f06fdd73a82be52f7998b8b981f [0,0,1,0,0,0|2,0,0]=3 419 B16R1.4440 CCNC(=O)COc1ccccc1S(=O)C 5644533e1ee22f549a0936e7a471110b [0,0,1,0,0,0|3,0,0]=4 420 B16R1.4440 CCNC(=O)COc1cccnc1C(C)C bd93a857f0965b3034656a5ba73772f0 [0,0,1,0,0,0|2,0,0]=3 421 B16R1.4440 CCNC(=O)COc1cccnc1N(C)C 9843f583f0d4c987a9dde86bbbadd42d [0,0,1,0,0,0|3,0,0]=4 422 B16R1.4440 CCNC(=O)COc1ccncc1C(C)C 229dbe87b0d88ef26a8aebfd585b9958 [0,0,1,0,0,0|2,0,0]=3 423 B16R1.4440 CCNC(=O)COc1nccnc1C(C)C 086e28fdd0f3b4c890d708c4f0bbdeee [0,0,1,0,0,0|3,0,0]=4 424 B16R1.4440 CCOC(=O)CNc1ccccc1C(C)C d5b498d15162c7cb78df239aa55fc81c [0,0,1,0,0,0|3,0,0]=4 425 B16R1.4440 CCOC(=O)COc1ccccc1C(C)C f072f53a4560bcb969eb637abe3c393b [0,0,1,0,0,0|2,0,0]=3 426 B16R1.4440 CCOC(=O)COc1ccccc1N(C)C 807bb27927a2f2d58ff5a99e8a565904 [0,0,1,0,0,0|3,0,0]=4 427 B16R1.4440 CCOC(=O)COc1cccnc1C(C)C e5d77ac1e00a91c75660d596cad0582c [0,0,1,0,0,0|3,0,0]=4 428 B16R1.4440 CCOC(=O)COc1ccncc1C(C)C e197299f9ecfc72af36a86c9fad4f0fd [0,0,1,0,0,0|3,0,0]=4 429 B16R1.14339 COC(COc1ccccc1C(C)C)OC a0cf596adbf4f07a98b46e077eb6f5ff [0,0,1,0,0,0|2,0,1]=4 430 B18R3.36582 C1=C(CCC1)CNc2ccccc2C3CC3 8b03cc893887569bb70d91ffd7da7a64 [0,0,0,1,0,0|3,0,0]=4 431 B18R3.36582 C1=C(CCC1)COc2cccnc2C3CC3 c3e6fb7f6485930869f24bf9b6af3e05 [0,0,0,1,0,0|3,0,0]=4 432 B18R3.36582 c1ccc(c(c1)NCc2ncc[nH]2)C3CC3 7966a54d3e9ef31b99c6606ab72fe6fd [0,0,0,1,0,0|1,0,2]=4 433 B18R3.36582 c1ccc(c(c1)NCc2nnn[nH]2)C3CC3 499bcea8a06f2ef2cb1bba6a6221a644 [0,0,0,1,0,0|3,0,0]=4 434 B18R3.36582 c1ccc(c(c1)OCC2CCCC2)C3CC3 e609cca24d403b807223684be0e60131 [0,0,0,1,0,0|2,0,1]=4 435 B18R3.36582 c1ccc(c(c1)OCC2CCCO2)C3CC3 8051adeac0f302f7fc2522ae3de8259f [0,0,0,1,0,0|2,0,1]=4 436 B18R3.36582 c1ccc(c(c1)OCc2ccon2)C3CC3 f6d3df6cde6cf7448b3db7590f34aaee [0,0,0,1,0,0|2,0,1]=4 437 B18R3.36582 c1ccc(c(c1)OCc2cocn2)C3CC3 fef14298bea61b5130f579d3a8b50fa2 [0,0,0,1,0,0|2,0,1]=4 438 B18R3.36582 c1ccc(c(c1)OCc2cscn2)C3CC3 dc55844252ff9b68240517f33f570850 [0,0,0,1,0,0|2,0,1]=4 439 B18R3.36582 c1ccc(c(c1)OCc2nc[nH]n2)C3CC3 02b88a939b32c52d4669c876cc93be88 [0,0,0,1,0,0|1,0,2]=4 440 B18R3.36582 c1ccc(c(c1)OCc2ncc[nH]2)C3CC3 c4dd35669bee78b9c797f91f50f5d8d8 [0,0,0,1,0,0|0,0,2]=3 441 B18R3.36582 c1ccc(c(c1)OCc2ncco2)C3CC3 4a5fa29a9676879b8a69c5535e07b54b [0,0,0,1,0,0|1,0,2]=4 442 B18R3.36582 c1ccc(c(c1)OCc2nccs2)C3CC3 d0a4936403b04fc5e00149c045d70093 [0,0,0,1,0,0|1,0,2]=4 443 B18R3.36582 c1ccc(c(c1)OCc2ncno2)C3CC3 8fe9b8a688b33f46732e98b8afa6ba9c [0,0,0,1,0,0|2,0,1]=4 444 B18R3.36582 c1ccc(c(c1)OCc2ncon2)C3CC3 1cf41d3c26ada33cebbb33f87893e163 [0,0,0,1,0,0|1,0,2]=4 445 B18R3.36582 c1ccc(c(c1)OCc2nnco2)C3CC3 b3f47479f0b16077fff08b62650585c2 [0,0,0,1,0,0|2,0,1]=4 446 B18R3.36582 c1ccc(c(c1)OCc2nnn[nH]2)C3CC3 e4fc63f2defcbfe556d8b974cc6463c6 [0,0,0,1,0,0|2,0,0]=3 447 B18R3.36582 c1cnc(c(c1)OCc2ncc[nH]2)C3CC3 564c172df4585851e8b286c943bec7d3 [0,0,0,1,0,0|1,0,2]=4 448 B18R3.36582 c1cnc(c(c1)OCc2nnn[nH]2)C3CC3 7bc972f8f8aa65643c3053cb68757162 [0,0,0,1,0,0|3,0,0]=4 449 B18R3.618712 CC1CN(c2c1cccc2)Cc3ncc[nH]3 3fa430fc9ad138e6be3e71a931d4c457 [0,0,0,1,0,0|1,0,2]=4 450 B18R3.618712 CC1CN(c2c1cccc2)Cc3nnn[nH]3 42011a54569de46fc86a3eb97dbf216b [0,0,0,1,0,0|3,0,0]=4 451 B16R2.498 CC(C)c1ccccc1OC2CCCC2 f58d8251de7abeb03bf38a6a9b66e2ee [0,0,0,0,1,0|2,0,1]=4 452 B16R2.27531 CC(C)c1ccccc1NCC2CCC2 c41323e9ac60392c91723ae7da34ecf8 [0,0,0,0,1,0|2,0,1]=4 453 B16R2.27531 CC(C)c1ccccc1NCC2CCO2 9025a22faffe5d64dcc459cd57704ab8 [0,0,0,0,1,0|2,0,1]=4 454 B16R2.27531 CC(C)c1ccccc1NC[C@@H]2CCO2 72620f2ab756dfff8182c0609b2046bf [0,0,0,0,1,0|2,0,1]=4 455 B16R2.27531 CC(C)c1ccccc1NC[C@H]2CCO2 891fe62193ea07c93b1e5e835014632f [0,0,0,0,1,0|2,0,1]=4 456 B16R2.27531 CC(C)c1ccccc1OCC2CCC2 2c7340ff1a705a54fc989ac1dd75c38e [0,0,0,0,1,0|1,0,1]=3 457 B16R2.27531 CC(C)c1ccccc1OCC2CCO2 48900f7ee0a40c3b86e76e6d0b15bcb5 [0,0,0,0,1,0|1,0,1]=3 458 B16R2.27531 CC(C)c1ccccc1OCC2COC2 3c74076f3632fdcf80283853a3d09594 [0,0,0,0,1,0|2,0,1]=4 459 B16R2.27531 CC(C)c1ccccc1OC[C@@H]2CCO2 6d5a5a01816350b3ff8b06c70e80c9a0 [0,0,0,0,1,0|1,0,1]=3 460 B16R2.27531 CC(C)c1ccccc1OC[C@H]2CCO2 bf9a6e2b96ff6280d9d64c1f9c529a9f [0,0,0,0,1,0|1,0,1]=3 461 B16R2.27531 CC(C)c1cnccc1OCC2CCC2 df7f7d62e638061561863c95597e86b4 [0,0,0,0,1,0|2,0,1]=4 462 B16R2.27531 CC(C)c1cnccc1OCC2CCO2 9bad6ba339696aee51b44c47c2d59fa8 [0,0,0,0,1,0|2,0,1]=4 463 B16R2.27531 CC(C)c1cnccc1OC[C@@H]2CCO2 123fdc7d78c26e88b3b65da98bdba3e4 [0,0,0,0,1,0|2,0,1]=4 464 B16R2.27531 CC(C)c1cnccc1OC[C@H]2CCO2 7e622bb4000a032901cd05d74e4d7b3e [0,0,0,0,1,0|2,0,1]=4 465 B16R2.27531 CC(C)c1ncccc1OCC2CCC2 a6f18724b0178831393e033187392964 [0,0,0,0,1,0|2,0,1]=4 466 B16R2.27531 CC(C)c1ncccc1OCC2CCO2 5480f264780e7b2f519ac8e4b1682787 [0,0,0,0,1,0|2,0,1]=4 467 B16R2.27531 CC(C)c1ncccc1OC[C@@H]2CCO2 aa636661896dab96191f2b59f82be491 [0,0,0,0,1,0|2,0,1]=4 468 B16R2.27531 CC(C)c1ncccc1OC[C@H]2CCO2 46de5a4641679650265a409ab88b405d [0,0,0,0,1,0|2,0,1]=4 469 B16R2.27531 CN(C)c1ccccc1OCC2CCC2 12076603308e36e62feac01adc6aac0f [0,0,0,0,1,0|2,0,1]=4 470 B16R2.27531 CN(C)c1ccccc1OCC2CCO2 96b2984191a41d7f8d5354ba56bf7c0d [0,0,0,0,1,0|2,0,1]=4 471 B16R2.27531 CN(C)c1ccccc1OC[C@@H]2CCO2 0208ef0d7dc5cf11b8de2e25ca65ed4c [0,0,0,0,1,0|2,0,1]=4 472 B16R2.27531 CN(C)c1ccccc1OC[C@H]2CCO2 b912f1265d3d6322d30aff239a288520 [0,0,0,0,1,0|2,0,1]=4 473 B18R2.7138 CC(C)c1ccccc1NCC2=CCCCC2 d95b01ea6349c74becfe7909d5a15ef4 [0,0,0,0,0,1|3,0,0]=4 474 B18R2.7138 CC(C)c1ccccc1NCC2=CCOCC2 31e189125a5d485475c1ff160783f936 [0,0,0,0,0,1|3,0,0]=4 475 B18R2.7138 CC(C)c1ccccc1OCC2=CCOCC2 6d55093015ddc1dcdbecbf7fb6df625b [0,0,0,0,0,1|2,0,0]=3 476 B18R2.7138 CC(C)c1ccccc1OCC2CCCCC2 7b661a0d3a64099aac08f323c3e3f01b [0,0,0,0,0,1|2,0,1]=4 477 B18R2.7138 CC(C)c1ccccc1OCC2CCCCO2 83b40c744e60e79f951068866955685c [0,0,0,0,0,1|2,0,1]=4 478 B18R2.7138 CC(C)c1ccccc1OCC2CCCOC2 1ed3a889c985c909df9a06bf1bdedd74 [0,0,0,0,0,1|2,0,1]=4 479 B18R2.7138 CC(C)c1ccccc1OCC2CCOCC2 e0d2e04815c7dc366f8732d7ae8d7207 [0,0,0,0,0,1|2,0,1]=4 480 B18R2.7138 CC(C)c1ccccc1OCC2COCCO2 de647dfb5728f1ae17c3de79394ba9cc [0,0,0,0,0,1|2,0,1]=4 481 B18R2.7138 CC(C)c1ccccc1OCc2ccccn2 b4f4f77c500e15edc9792ac3e158bbbc [0,0,0,0,0,1|1,0,2]=4 482 B18R2.7138 CC(C)c1ccccc1OCc2cccnc2 03d74ce09eca32634be09a705fb3737b [0,0,0,0,0,1|1,0,2]=4 483 B18R2.7138 CC(C)c1ccccc1OCc2cccnn2 91464795472e425e55b59dba8f38d654 [0,0,0,0,0,1|1,0,2]=4 484 B18R2.7138 CC(C)c1ccccc1OCc2ccncn2 637a9d979c8f765f71d4753eb4ba30f4 [0,0,0,0,0,1|1,0,2]=4 485 B18R2.7138 CC(C)c1ccccc1OCc2cncnc2 541947fc911234d7597833c64bae8df6 [0,0,0,0,0,1|2,0,1]=4 486 B18R2.7138 CC(C)c1ccccc1OCc2ncccn2 f2579530d2a3286363f3d2b6986b9a4e [0,0,0,0,0,1|0,0,3]=4 487 B18R2.7138 CC(C)c1cnccc1OCC2=CCCCC2 3072424299bc8da450eef300a0894635 [0,0,0,0,0,1|3,0,0]=4 488 B18R2.7138 CC(C)c1cnccc1OCC2=CCOCC2 6e5721112a5a5ff12c94f90645eb017d [0,0,0,0,0,1|3,0,0]=4 489 B18R2.7138 CC(C)c1ncccc1OCC2=CCCCC2 79d6900fec4eadaf9515c1e6970a2215 [0,0,0,0,0,1|3,0,0]=4 490 B18R2.7138 CC(C)c1ncccc1OCC2=CCOCC2 8cfad380c5cdcd725b93ffd3398ef7ad [0,0,0,0,0,1|3,0,0]=4 491 B18R2.7145 CC(C)c1ccccc1CNCc2ncc[nH]2 307bd1db95182058f1d1826d6a8d4076 [0,0,0,0,0,1|1,0,2]=4 492 B18R2.7145 CC(C)c1ccccc1CNCc2ncn[nH]2 040c1f42acb691567fc9604bb2c06ab9 [0,0,0,0,0,1|2,0,1]=4 493 B18R2.7145 CC(C)c1ccccc1CNCc2nnn[nH]2 31e304fc689fa36933a179ff858087a5 [0,0,0,0,0,1|3,0,0]=4 494 B18R2.7145 CC(C)c1ccccc1COCC2CCCC2 ea8fa55679da2397c3b1e8990d70e8d1 [0,0,0,0,0,1|2,0,1]=4 495 B18R2.7145 CC(C)c1ccccc1COCC2CCCO2 daaa28fdd8e33532b803125d4580ceb3 [0,0,0,0,0,1|2,0,1]=4 496 B18R2.7145 CC(C)c1ccccc1COCC2CCCS2 08fb53d7c36586069caefacb09c80402 [0,0,0,0,0,1|2,0,1]=4 497 B18R2.7145 CC(C)c1ccccc1COCN2CCCC2 c4295fecb61f737d3ad25c0cd5008619 [0,0,0,0,0,1|3,0,0]=4 498 B18R2.7145 CC(C)c1ccccc1COC[C@@H]2CCCO2 564c378f0ae98bba8b67404f6febb94b [0,0,0,0,0,1|2,0,1]=4 499 B18R2.7145 CC(C)c1ccccc1COC[C@H]2CCCO2 927371695b52a6371fb021c6244bb1a6 [0,0,0,0,0,1|2,0,1]=4 500 B18R2.7145 CC(C)c1ccccc1COCc2ccc[nH]2 8ef156ce1c9defe3523e53f16adb66ee [0,0,0,0,0,1|1,0,2]=4 501 B18R2.7145 CC(C)c1ccccc1COCc2ccn[nH]2 675acc6dae9987af6632e6000db02b46 [0,0,0,0,0,1|2,0,1]=4 502 B18R2.7145 CC(C)c1ccccc1COCc2ccon2 86a93b274b69efd821a146bbac401c7e [0,0,0,0,0,1|2,0,1]=4 503 B18R2.7145 CC(C)c1ccccc1COCc2ccsn2 53b3509eb210b17306117142e849d1b4 [0,0,0,0,0,1|2,0,1]=4 504 B18R2.7145 CC(C)c1ccccc1COCc2cnc[nH]2 407dac954c598f97dfad4964e479537f [0,0,0,0,0,1|2,0,1]=4 505 B18R2.7145 CC(C)c1ccccc1COCc2cnn[nH]2 6d0a0a7ce4aaad436eaef8bdbd73cecf [0,0,0,0,0,1|3,0,0]=4 506 B18R2.7145 CC(C)c1ccccc1COCc2cnsn2 fb5a50c9c6b66cb822d99dde7b11eced [0,0,0,0,0,1|3,0,0]=4 507 B18R2.7145 CC(C)c1ccccc1COCc2cocn2 3ae2c22b93fae1dfb5cd27110bc72a80 [0,0,0,0,0,1|2,0,1]=4 508 B18R2.7145 CC(C)c1ccccc1COCc2cscn2 b216abeaa28196aa40f9db570a442e3f [0,0,0,0,0,1|2,0,1]=4 509 B18R2.7145 CC(C)c1ccccc1COCc2csnn2 0fdc933c923987edbe9f15d8ce448ee2 [0,0,0,0,0,1|3,0,0]=4 510 B18R2.7145 CC(C)c1ccccc1COCc2nc[nH]n2 b404ad6b8fa8a4026746aa58f971c16b [0,0,0,0,0,1|1,0,2]=4 511 B18R2.7145 CC(C)c1ccccc1COCc2ncc[nH]2 3ea01917955edd38e1658d5b8e1c73c7 [0,0,0,0,0,1|0,0,2]=3 512 B18R2.7145 CC(C)c1ccccc1COCc2ncco2 a9d5eab53d4a79ce7f79aa7e5c71bac2 [0,0,0,0,0,1|1,0,2]=4 513 B18R2.7145 CC(C)c1ccccc1COCc2nccs2 511ae901d4fef4933b6e8718e60131fd [0,0,0,0,0,1|1,0,2]=4 514 B18R2.7145 CC(C)c1ccccc1COCc2ncno2 5f355cd7dcd4ee473a172e03b681f44e [0,0,0,0,0,1|2,0,1]=4 515 B18R2.7145 CC(C)c1ccccc1COCc2ncns2 dd79269d71430a2006417739529f679a [0,0,0,0,0,1|2,0,1]=4 516 B18R2.7145 CC(C)c1ccccc1COCc2ncon2 8aa20023457f698b4eef8eecd449aca3 [0,0,0,0,0,1|1,0,2]=4 517 B18R2.7145 CC(C)c1ccccc1COCc2nn[nH]n2 9f271133014c7406a3db598c94f8c9b3 [0,0,0,0,0,1|2,0,1]=4 518 B18R2.7145 CC(C)c1ccccc1COCc2nnco2 ac3c2df898188ae2e318e975e57d3995 [0,0,0,0,0,1|2,0,1]=4 519 B18R2.7145 CC(C)c1ccccc1NCCc2ncc[nH]2 5ea663ffce61bd654907e519f922555b [0,0,0,0,0,1|1,0,2]=4 520 B18R2.7145 CC(C)c1ccccc1NCCc2nnn[nH]2 d6953c62305fcbcded91595cd093d3aa [0,0,0,0,0,1|3,0,0]=4 521 B18R2.7145 CC(C)c1ccccc1OCCC2CCCC2 40e15dc8bbb70c39df4275af47c6d359 [0,0,0,0,0,1|2,0,1]=4 522 B18R2.7145 CC(C)c1ccccc1OCCC2CCCO2 d0312fa01ddb27c55d988fd5b895db21 [0,0,0,0,0,1|2,0,1]=4 523 B18R2.7145 CC(C)c1ccccc1OCCN2CCCC2 e6f2280d6908fa084b08c36516ac0ba1 [0,0,0,0,0,1|3,0,0]=4 524 B18R2.7145 CC(C)c1ccccc1OCCc2c[nH]cn2 74ab68f610fa31ebaa0fc915b981840b [0,0,0,0,0,1|2,0,1]=4 525 B18R2.7145 CC(C)c1ccccc1OCCc2ccn[nH]2 eb6506211a6505cf654ca4d036b60ef9 [0,0,0,0,0,1|2,0,1]=4 526 B18R2.7145 CC(C)c1ccccc1OCCc2cscn2 8f04a0211a5ff6f66d04e1f76bcdd13b [0,0,0,0,0,1|2,0,1]=4 527 B18R2.7145 CC(C)c1ccccc1OCCc2ncon2 847ec1689b7b92c1548ae4e1a37cf75d [0,0,0,0,0,1|1,0,2]=4 528 B18R2.7145 CC(C)c1cccnc1COCc2ncc[nH]2 cd92f5722063963e89b0036c02583564 [0,0,0,0,0,1|1,0,2]=4 529 B18R2.7145 CC(C)c1ncccc1COCC2=CCCC2 1d57150f3702a028daca1ef0e042814e [0,0,0,0,0,1|3,0,0]=4 530 B18R2.7145 CC(C)c1ncccc1COCc2ncc[nH]2 ff270f30da9a46c45f4e03420b545f16 [0,0,0,0,0,1|1,0,2]=4 531 B18R2.7145 CC(C)c1ncccc1COCc2nnn[nH]2 6a3464b6168359f61ff9b1cddce53f9c [0,0,0,0,0,1|3,0,0]=4 532 B18R2.7145 CC(C)c1ncccc1OCCc2nnn[nH]2 bdbb0943f609b017aa99845cc42c4522 [0,0,0,0,0,1|3,0,0]=4 533 B18R2.7145 CN(C)c1ccccc1COCc2ncc[nH]2 c669621a89d82f0824b5f40c0dcee017 [0,0,0,0,0,1|1,0,2]=4 534 B18R2.9915 CC(C)Cc1ccccc1NCC2=CCCC2 d86446fb0aa1938194f5f6a2d4b8f254 [0,0,0,0,0,1|3,0,0]=4 535 B18R2.9915 CC(C)Cc1ccccc1NCc2ncc[nH]2 f22444668ea9dc0485312d3f633dc544 [0,0,0,0,0,1|1,0,2]=4 536 B18R2.9915 CC(C)Cc1ccccc1NCc2nnn[nH]2 1ab69ba12f6b8107a52f7c7d22edb0a1 [0,0,0,0,0,1|3,0,0]=4 537 B18R2.9915 CC(C)Nc1ccccc1OCC2CCCO2 824f0d6d347ca78a937c8ab7266ebf3e [0,0,0,0,0,1|2,0,1]=4 538 B18R2.9915 CC(C)Oc1ccccc1NCC2=CCCC2 d1488485c5f0f79eee991bae0ba88efb [0,0,0,0,0,1|3,0,0]=4 539 B18R2.9915 CC(C)Oc1ccccc1NCc2ncc[nH]2 fe97d4102fe0a6ef38fca303f8b694f4 [0,0,0,0,0,1|1,0,2]=4 540 B18R2.9915 CC(C)Oc1ccccc1NCc2ncn[nH]2 7305b98d2fabf8934ba17688a444756c [0,0,0,0,0,1|2,0,1]=4 541 B18R2.9915 CC(C)Oc1ccccc1NCc2nnn[nH]2 af7ddf6abc381a4845e706fd44fe331d [0,0,0,0,0,1|3,0,0]=4 542 B18R2.9915 CC(C)Oc1ccccc1OCC2CCCC2 c23e13be17eda7487324674178f64432 [0,0,0,0,0,1|2,0,1]=4 543 B18R2.9915 CC(C)Oc1ccccc1OCC2CCCO2 b5d956d87a1bc85c4acc0a7ea8de1c0c [0,0,0,0,0,1|2,0,1]=4 544 B18R2.9915 CC(C)Oc1ccccc1OCc2ccon2 de16ee087ed8082dd4d4f450211042c7 [0,0,0,0,0,1|2,0,1]=4 545 B18R2.9915 CC(C)Oc1ccccc1OCc2cocn2 bb700612db12d9f2d1c55012480349b3 [0,0,0,0,0,1|2,0,1]=4 546 B18R2.9915 CC(C)Oc1ccccc1OCc2cscn2 42c214d5d4a0c881daa70a21cc1a826d [0,0,0,0,0,1|2,0,1]=4 547 B18R2.9915 CC(C)Oc1ccccc1OCc2nc[nH]n2 7890fcd32159e95ead739fd2743b6e4b [0,0,0,0,0,1|1,0,2]=4 548 B18R2.9915 CC(C)Oc1ccccc1OCc2ncc[nH]2 d4f86372f7518d4bd20973209fdbb2b0 [0,0,0,0,0,1|0,0,2]=3 549 B18R2.9915 CC(C)Oc1ccccc1OCc2ncco2 62d2692af9a8e9dc22cfb5c11505e681 [0,0,0,0,0,1|1,0,2]=4 550 B18R2.9915 CC(C)Oc1ccccc1OCc2nccs2 6118965dfd7b1abb707345a9bf605b1c [0,0,0,0,0,1|1,0,2]=4 551 B18R2.9915 CC(C)Oc1ccccc1OCc2ncno2 0488bc98fa51d7a4c149b23fd587e94a [0,0,0,0,0,1|2,0,1]=4 552 B18R2.9915 CC(C)Oc1ccccc1OCc2ncon2 51dcbb9ce1ca7d7963a68a0d3ada397d [0,0,0,0,0,1|1,0,2]=4 553 B18R2.9915 CC(C)Oc1ccccc1OCc2nnco2 b2e43d09300df7b785573dd1d7650f8f [0,0,0,0,0,1|2,0,1]=4 554 B18R2.9915 CC(C)Oc1ncccc1OCC2=CCCC2 afb648df54e2a838273af35d1b006de1 [0,0,0,0,0,1|3,0,0]=4 555 B18R2.9915 CC(C)Oc1ncccc1OCc2ncc[nH]2 845a65f89a7b333464923b390458d208 [0,0,0,0,0,1|1,0,2]=4 556 B18R2.9915 CC(C)Oc1ncccc1OCc2nnn[nH]2 072a6d14a7d903cf4d7505faf7a5a5cc [0,0,0,0,0,1|3,0,0]=4 557 B18R2.9915 CC(C)Sc1ccccc1NCC2=CCCC2 8ec11ed5f639504aec5cd8a6665cbbd5 [0,0,0,0,0,1|3,0,0]=4 558 B18R2.9915 CC(C)Sc1ccccc1NCc2ncc[nH]2 17c27e240e2c58f9bfb0f93c63226049 [0,0,0,0,0,1|1,0,2]=4 559 B18R2.9915 CC(C)Sc1ccccc1NCc2ncn[nH]2 5a0e50a0f5c1425ed07bbd6d46ac5296 [0,0,0,0,0,1|2,0,1]=4 560 B18R2.9915 CC(C)Sc1ccccc1NCc2nnn[nH]2 ae6779938afd57bc4761b5409b2f4bd7 [0,0,0,0,0,1|3,0,0]=4 561 B18R2.9915 CN(C)Cc1ccccc1OCc2ncc[nH]2 7bae0a82af04e2b595e71c06518c77bc [0,0,0,0,0,1|1,0,2]=4 562 B15R1.241 CC(C)c1ccccc1OCCCCF f2bcadb4c2495fbcc05553407469abb3 [1,0,1,0,0,0|1,0,1]=4 563 B15R1.241 CC/C=C/CNc1ccccc1C(C)C 180ef2ed4ad2e2487b8ef57db34450ab [1,0,1,0,0,0|2,0,0]=4 564 B15R1.241 CC/C=C/COc1ccccc1C(C)C 1d5a63a1bfd9deb3c6c2411fb382678c [1,0,1,0,0,0|1,0,0]=3 565 B15R1.241 CC/C=C/COc1ccccc1N(C)C 8e6166623ac49a13aa55bc9654f61ad6 [1,0,1,0,0,0|2,0,0]=4 566 B15R1.241 CC/C=C/COc1cccnc1C(C)C 38fed94f21bb548b64cc861aecebf2d5 [1,0,1,0,0,0|2,0,0]=4 567 B15R1.241 CC/C=C/COc1ccncc1C(C)C b8fda7faba95d801f4bcb7df2abb0584 [1,0,1,0,0,0|2,0,0]=4 568 B15R1.241 CCCCCOc1ccccc1C(C)C 91d0032252d51b4abfd6a3621f8854f7 [1,0,1,0,0,0|1,0,1]=4 569 B15R1.241 CCOCCOc1ccccc1C(C)C cc4a46987b79ec15d0a797903f34efc3 [1,0,1,0,0,0|1,0,1]=4 570 B15R1.241 CCSCCOc1ccccc1C(C)C 4e1adf6f7c2a3ed22eef7dc36eeaa49d [1,0,1,0,0,0|1,0,1]=4 571 B15R1.1045 CCC/C=C/COc1ccccc1CC 3bf4ffd7f0b2a20b727e20dd9dfa6838 [1,0,1,0,0,0|2,0,0]=4 572 B15R1.1045 CCC/C=C\COc1ccccc1CC 3ffc4c573af2283104a5e0f547e6bf50 [1,0,1,0,0,0|2,0,0]=4 573 B15R1.1045 CCCNCCOc1ccccc1CC 8ece40f2d76d15d0fb390e8c61bcac90 [1,0,1,0,0,0|1,0,1]=4 574 B15R1.1045 CCc1ccccc1OCCNCCF 274013b30ea3a34a119e397fcd1737f5 [1,0,1,0,0,0|1,0,1]=4 575 B15R1.1045 CCc1ccccc1OCCNCCI e8a20b435f4bf6baa0c779728cc5a502 [1,0,1,0,0,0|1,0,1]=4 576 B15R1.1045 CCc1ccccc1OCCNCCO c925767a6611843f23509356488edeb5 [1,0,1,0,0,0|1,0,1]=4 577 B15R1.1045 CCc1ccccc1OCCNCCS 09f6f935201a421d66f7ed19915e67b9 [1,0,1,0,0,0|1,0,1]=4 578 B15R1.768 CCCC(=O)COc1ccccc1CC 3064692302ef4f1b1766f51873aef16b [1,0,1,0,0,0|2,0,0]=4 579 B15R1.768 CCNC(=O)CNc1ccccc1CC f322bd6e3f157012b9c2158e147bfc2c [1,0,1,0,0,0|2,0,0]=4 580 B15R1.768 CCNC(=O)COc1ccccc1CC d0e89b45a67109c10861e66992357892 [1,0,1,0,0,0|1,0,0]=3 581 B15R1.768 CCNC(=O)COc1ccccc1OC 62332143f4586b3cb3afb2f69cb592d2 [1,0,1,0,0,0|2,0,0]=4 582 B15R1.768 CCNC(=O)COc1ccccc1SC 0a3e172bb5e280896cae82dd443d4ad1 [1,0,1,0,0,0|2,0,0]=4 583 B15R1.768 CCNC(=O)COc1cccnc1CC 6c50c8e8de532a241903547e7f5aa811 [1,0,1,0,0,0|2,0,0]=4 584 B15R1.768 CCNC(=O)COc1cnccc1CC 95ffa1e88cabbf9628ea7af9697f7e87 [1,0,1,0,0,0|2,0,0]=4 585 B15R1.768 CCNC(=O)COc1ncccc1CC 80f71a0cfc2e0f355f8e5b3d501689db [1,0,1,0,0,0|2,0,0]=4 586 B15R1.768 CCOC(=O)COc1ccccc1CC f9f42253d73f55cab801f1da8bb4244b [1,0,1,0,0,0|2,0,0]=4 587 B15R1.1108 C=C(CC)COc1cccnc1C(C)C e6460c996de0ef66330d1fc1b10e58fd [1,0,1,0,0,0|2,0,0]=4 588 B15R1.1108 C=C(CC)COc1ccncc1C(C)C 5f5249eefbe8a6338b2f92b40aa3d869 [1,0,1,0,0,0|2,0,0]=4 589 B15R1.1108 C=C(COc1ccccc1C(C)C)OC 28431aeb75d7d9c2cbb3705df48f6d4f [1,0,1,0,0,0|1,0,1]=4 590 B15R1.1108 CCC(=O)CNc1ccccc1C(C)C 4724c941b9bdd75a3483b7479532090a [1,0,1,0,0,0|2,0,0]=4 591 B15R1.1108 CCC(=O)COc1ccccc1C(C)C 122d1fa2df5ffe94ed39a695d908a834 [1,0,1,0,0,0|1,0,0]=3 592 B15R1.1108 CCC(=O)COc1ccccc1N(C)C 4571766c2ec952d63ef28d5e064bc45f [1,0,1,0,0,0|2,0,0]=4 593 B15R1.1108 CCC(=O)COc1cccnc1C(C)C 7f42e11bc940b3c18d7d5091a2b68959 [1,0,1,0,0,0|2,0,0]=4 594 B15R1.1108 CCC(=O)COc1ccncc1C(C)C 963bc3f532ac6e42900ad2bf2fd0c901 [1,0,1,0,0,0|2,0,0]=4 595 B15R1.1108 CCC(C)COc1ccccc1C(C)C 271052d1d3192891211092f6c1423c56 [1,0,1,0,0,0|1,0,1]=4 596 B15R1.1108 CC[C@@H](C)COc1ccccc1C(C)C b57af9c351ffd8b56c4cb4eac71246c6 [1,0,1,0,0,0|1,0,1]=4 597 B15R1.1108 CC[C@H](C)COc1ccccc1C(C)C ecb66b6ebc11dbe79209bcc111818588 [1,0,1,0,0,0|1,0,1]=4 598 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C a7762254bfdf2e2d30367ed5e94dad99 [1,0,1,0,0,0|2,0,0]=4 599 B15R1.1108 CNC(=O)COc1ccccc1C(C)C fbaf6f128c5aba2f3265ced2f35ec8cb [1,0,1,0,0,0|1,0,0]=3 600 B15R1.1108 CNC(=O)COc1ccccc1N(C)C 00dafaf9f08433a4aa81a8dfd390e83f [1,0,1,0,0,0|2,0,0]=4 601 B15R1.1108 CNC(=O)COc1cccnc1C(C)C 16aa85ca633003c34763e85874817607 [1,0,1,0,0,0|2,0,0]=4 602 B15R1.1108 CNC(=O)COc1ccncc1C(C)C 3209b9bd9966555ddf60101eaada917d [1,0,1,0,0,0|2,0,0]=4 603 B15R1.1108 COC(=O)COc1ccccc1C(C)C f8017be6a88e82e22f9a3ab829780d2c [1,0,1,0,0,0|2,0,0]=4 604 B15R1.1108 COC(C)COc1ccccc1C(C)C 540665c0cf8ef575c761600c00e31f6e [1,0,1,0,0,0|1,0,1]=4 605 B15R1.1108 CO[C@@H](C)COc1ccccc1C(C)C 37b91a8f3ce43b6cc1802a234eda93e0 [1,0,1,0,0,0|1,0,1]=4 606 B15R1.1108 CO[C@H](C)COc1ccccc1C(C)C 9f081c868669581129ef0885f2636f63 [1,0,1,0,0,0|1,0,1]=4 607 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 a886078596f56d57aa70ed510edd6460 [2,0,0,0,0,0|0,0,2]=4 608 B17R1.1457 CCC/C=C/COc1ccc(cc1C(C)C)Br 723ac27e5f7e396ce7dfc845b67016d1 [0,1,1,0,0,0|2,0,0]=4 609 B17R1.1457 CCC/C=C/COc1ccc(cc1C(C)C)C 14861cd3dc6224cffd8735f3065d12d9 [0,1,1,0,0,0|2,0,0]=4 610 B17R1.1457 CCC/C=C/COc1ccc(cc1C(C)C)Cl effc8228dd05c1893bee21a63cf2ce92 [0,1,1,0,0,0|2,0,0]=4 611 B17R1.1457 CCC/C=C/COc1ccc(cc1C(C)C)I 35aa6ec7f615cadf77db36069b06a70c [0,1,1,0,0,0|2,0,0]=4 612 B17R1.1457 CCC/C=C\COc1ccc(cc1C(C)C)Br 02e09eb6b831412015122564422a2fdc [0,1,1,0,0,0|2,0,0]=4 613 B17R1.1457 CCC/C=C\COc1ccc(cc1C(C)C)C 8771e36683777e5162d8881fc1706623 [0,1,1,0,0,0|2,0,0]=4 614 B17R1.1457 CCC/C=C\COc1ccc(cc1C(C)C)Cl 6c00361a975073b715946093733da4f3 [0,1,1,0,0,0|2,0,0]=4 615 B17R1.1457 CCC/C=C\COc1ccc(cc1C(C)C)I 583abce9a26e597e87d463731ae27954 [0,1,1,0,0,0|2,0,0]=4 616 B17R1.4132 CCC/C=C/COc1cc(ccc1C(C)C)Br 59620daa29be41401ad3b2248b456bbc [0,1,1,0,0,0|2,0,0]=4 617 B17R1.4132 CCC/C=C/COc1cc(ccc1C(C)C)C 8b16a91def5ebf90d7be97a5cf7e273b [0,1,1,0,0,0|2,0,0]=4 618 B17R1.4132 CCC/C=C\COc1cc(ccc1C(C)C)Br 16eb5849617e863ac2fdb36cfa14565b [0,1,1,0,0,0|2,0,0]=4 619 B17R1.4132 CCC/C=C\COc1cc(ccc1C(C)C)C 31bcfdb625047e5822f86b8ac7cd783f [0,1,1,0,0,0|2,0,0]=4 620 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCF 3439c76eb946467ac2e4e90c0497e9c4 [0,1,1,0,0,0|1,0,1]=4 621 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCO 1c4c1d53a873ff2ffee730e005720b43 [0,1,1,0,0,0|1,0,1]=4 622 B17R1.4156 CC(C)(C)c1ccccc1OCCNCCS b90f569c29954fbd9fc54972ccbdd16e [0,1,1,0,0,0|1,0,1]=4 623 B17R1.4156 CCC/C=C/COc1ccccc1C(C)(C)C 0b9b1887869fa7d54b6a4fc227fb884e [0,1,1,0,0,0|2,0,0]=4 624 B17R1.4156 CCC/C=C\COc1ccccc1C(C)(C)C b38aeee358da8c61eebff02af0c05779 [0,1,1,0,0,0|2,0,0]=4 625 B17R1.4156 CCCNCCOc1ccccc1C(C)(C)C 1084c1468d5bf653eafc37746495e81c [0,1,1,0,0,0|1,0,1]=4 626 B17R1.4157 CCC/C=C/COc1ccccc1C(C)CC 6e11c95693016a9977eabf6e338fc149 [0,1,1,0,0,0|2,0,0]=4 627 B17R1.4157 CCC/C=C\COc1ccccc1C(C)CC fc5bb6ff65befc8a26fe1cc7b980854f [0,1,1,0,0,0|2,0,0]=4 628 B17R1.7901 C#CCCNCCOc1ccccc1C(C)C a246dbfba62b18544f7d9a42f7c3d957 [0,1,1,0,0,0|1,0,1]=4 629 B17R1.7901 C=CCCNCCOc1ccccc1C(C)C 604cbdab14794e1090ae1e967f512280 [0,1,1,0,0,0|1,0,1]=4 630 B17R1.7901 CC(C)c1ccccc1OCCNCCC#N 9c7361137f21bd5354bb839617b1dbe0 [0,1,1,0,0,0|0,0,2]=4 631 B17R1.7901 CC(C)c1ccccc1OCCNCCCCl f29becd618757d949adfcbb40cfea572 [0,1,1,0,0,0|1,0,1]=4 632 B17R1.7901 CC(C)c1ccccc1OCCNCCCO 25ee052031b84d63a7784d920d7cbb78 [0,1,1,0,0,0|1,0,1]=4 633 B17R1.7901 CC(C)c1ccccc1OCCNCCON a5cb90d4d4b732b5ad0db1a90378e81b [0,1,1,0,0,0|0,0,2]=4 634 B17R1.7901 CCC/C=C/COCc1ccccc1C(C)C 236f27ba5917f59fe6b10857591c51c5 [0,1,1,0,0,0|2,0,0]=4 635 B17R1.7901 CCC/C=C\COCc1ccccc1C(C)C c5ed5b3e858931b61c00ab73f6ac8d73 [0,1,1,0,0,0|2,0,0]=4 636 B17R1.7901 CCCC/C=C/COc1ccccc1C(C)C 5cb877ee98ba3eb2f3933dbc8df88f91 [0,1,1,0,0,0|2,0,0]=4 637 B17R1.7901 CCCC/C=C\COc1ccccc1C(C)C e9662dd9a76ca2ef5a1ba98cbe5dfcb5 [0,1,1,0,0,0|2,0,0]=4 638 B17R1.7901 CCCCNCCOc1ccccc1C(C)C d218dc6429983955f13e4feda1feae58 [0,1,1,0,0,0|1,0,1]=4 639 B17R1.7901 COCCNCCOc1ccccc1C(C)C 008f0a12b77f822dd1d8a5bf1ea6623e [0,1,1,0,0,0|1,0,1]=4 640 B17R1.7901 CSCCNCCOc1ccccc1C(C)C 4accb3e25334e71229cfad4e188b1768 [0,1,1,0,0,0|1,0,1]=4 641 B17R1.8911 C#CCNC(=O)COc1ccccc1C(C)C ee1578c9876a2ece5a5fd78add8fad8f [0,1,1,0,0,0|1,0,1]=4 642 B17R1.8911 C=CCNC(=O)COc1ccccc1C(C)C e38b999dfca1fb0746255b4ffb27fcb8 [0,1,1,0,0,0|1,0,1]=4 643 B17R1.8911 CC(C)c1ccccc1NCC(=O)NCCO 5b3532e7b2426370437006411c19004d [0,1,1,0,0,0|2,0,0]=4 644 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCC#N b7426e71b388d06c7a944e9d5e626a5f [0,1,1,0,0,0|0,0,2]=4 645 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCF 432783bb590dd587d2226c28edc16443 [0,1,1,0,0,0|1,0,0]=3 646 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCI 634d207c4f800d8912517b62f2e30c10 [0,1,1,0,0,0|1,0,0]=3 647 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCO 832fa29d3b932065892c53a84c42c58b [0,1,1,0,0,0|1,0,0]=3 648 B17R1.8911 CC(C)c1ccccc1OCC(=O)NCCS d63b60c610d4abf00aaa3c8c36dd9777 [0,1,1,0,0,0|1,0,0]=3 649 B17R1.8911 CCCNC(=O)CNc1ccccc1C(C)C a49e28a26ba2bd01dd882c5fcfe34bd6 [0,1,1,0,0,0|2,0,0]=4 650 B17R1.8911 CCCNC(=O)COc1ccccc1C(C)C 36d8eacb4b7acc702869b30adbf0a193 [0,1,1,0,0,0|1,0,0]=3 651 B17R1.8911 CCCNC(=O)COc1ccccc1N(C)C 03ffebdf9d18b7af582451786a993f17 [0,1,1,0,0,0|2,0,0]=4 652 B17R1.8911 CCCNC(=O)COc1cccnc1C(C)C 8ed29c3cd970013014c523ccc75dd66d [0,1,1,0,0,0|2,0,0]=4 653 B17R1.8911 CCCNC(=O)COc1ccncc1C(C)C bc851969dda0cb14ce6b682d0355e986 [0,1,1,0,0,0|2,0,0]=4 654 B17R1.8911 CCCOC(=O)COc1ccccc1C(C)C 2534825bc0eb3e9a3148b0cf34c880dc [0,1,1,0,0,0|2,0,0]=4 655 B17R1.8968 CC(CNCCBr)Oc1ccccc1C(C)C ce57f2752e4fb31150a91873439c4964 [0,1,1,0,0,0|1,0,1]=4 656 B17R1.8968 CC(CNCCF)Oc1ccccc1C(C)C 0d651812d9c235885770a49dd862d863 [0,1,1,0,0,0|1,0,1]=4 657 B17R1.8968 CC(CNCCI)Oc1ccccc1C(C)C 84ddfd75bc78bfe76d721fb415e5efca [0,1,1,0,0,0|1,0,1]=4 658 B17R1.8968 CC(CNCCO)Oc1ccccc1C(C)C 251b06d784dfaacd43ac89b638aed656 [0,1,1,0,0,0|1,0,1]=4 659 B17R1.8968 CC(CNCCS)Oc1ccccc1C(C)C 4d1af84099790813f151ee1ed1aa9c03 [0,1,1,0,0,0|1,0,1]=4 660 B17R1.8968 CCCNCC(C)Oc1ccccc1C(C)C 2ea8c968cddb30b31f441f567ad29099 [0,1,1,0,0,0|1,0,1]=4 661 B17R1.16398 CC(C)CNCCOc1ccccc1C(C)C b59b4f0f55b6d0d4f2e6284ec1b29b9c [0,1,1,0,0,0|1,0,1]=4 662 B17R1.16398 CC(C)c1ccccc1OCCNCC(F)F c3766062f56f3a91e3b769239e5182d4 [0,1,1,0,0,0|1,0,1]=4 663 B17R1.16398 CC(C)c1ccccc1OCCNC[C@@H](C)O c7921c82fdce1cd873e7fa5b6860d4f9 [0,1,1,0,0,0|1,0,1]=4 664 B17R1.16398 CC(C)c1ccccc1OCCNC[C@H](C)O 28775d8eb5c1ea091b03bf3d25eabae1 [0,1,1,0,0,0|1,0,1]=4 665 B17R1.16398 CC(O)CNCCOc1ccccc1C(C)C 1afc161e6f5bf85e98cc5b4615286552 [0,1,1,0,0,0|1,0,1]=4 666 B17R1.19168 CC(C)c1ccccc1OCCN(C)CCF eb8606f0e9a1d8054e0aed5dd0157fa6 [0,1,1,0,0,0|1,0,1]=4 667 B17R1.19168 CC(C)c1ccccc1OCCN(C)CCO 07a27b44d0ee7cec0bbd91726370914d [0,1,1,0,0,0|1,0,1]=4 668 B17R1.19168 CCCN(C)CCOc1ccccc1C(C)C f01c72cedf2624619f980bc3fc7bee8d [0,1,1,0,0,0|1,0,1]=4 669 B17R1.24156 CC(C)c1ccccc1OCCN[C@@H](C)CO 85bb571b8f336c376653d2d32c5e0eab [0,1,1,0,0,0|1,0,1]=4 670 B17R1.24156 CC(C)c1ccccc1OCCN[C@H](C)CO a00d417ef1c64ec0778e259669d4edad [0,1,1,0,0,0|1,0,1]=4 671 B17R1.24156 CC(CO)NCCOc1ccccc1C(C)C 09b307caf963699ae3f1d6057286ce03 [0,1,1,0,0,0|1,0,1]=4 672 B17R1.24156 CCC(C)NCCOc1ccccc1C(C)C 4cee67c3475627d0bf38e64de31d1b54 [0,1,1,0,0,0|1,0,1]=4 673 B17R1.24156 CC[C@@H](C)NCCOc1ccccc1C(C)C 5d5479407723833f38ee122734d3238f [0,1,1,0,0,0|1,0,1]=4 674 B17R1.24156 CC[C@H](C)NCCOc1ccccc1C(C)C a2fc87e0c72521f3ad13645d026b265e [0,1,1,0,0,0|1,0,1]=4 675 B17R1.25058 CCC/C=C/COc1c(cccc1C(C)C)Br d56d00ef79519717b3cb667230eef0df [0,1,1,0,0,0|2,0,0]=4 676 B17R1.25058 CCC/C=C/COc1c(cccc1C(C)C)C e7cdfa5fdecfbab7f9bd766a6ba9cedf [0,1,1,0,0,0|2,0,0]=4 677 B17R1.25058 CCC/C=C/COc1c(cccc1C(C)C)Cl 2b4093e72d254ae73944daaa81f3b008 [0,1,1,0,0,0|2,0,0]=4 678 B17R1.25058 CCC/C=C/COc1c(cccc1C(C)C)I d342a32dfbfedb1470d335a68cceb992 [0,1,1,0,0,0|2,0,0]=4 679 B17R1.25058 CCC/C=C\COc1c(cccc1C(C)C)Br 925b530c3f4fe5558739bd88510b2d7f [0,1,1,0,0,0|2,0,0]=4 680 B17R1.25058 CCC/C=C\COc1c(cccc1C(C)C)C 1eae5ea54c89b3e09f19e028ce46f4b9 [0,1,1,0,0,0|2,0,0]=4 681 B17R1.25058 CCC/C=C\COc1c(cccc1C(C)C)Cl b68f9c4c3c597be15c26b3ea057a0310 [0,1,1,0,0,0|2,0,0]=4 682 B17R1.25058 CCC/C=C\COc1c(cccc1C(C)C)I b2ef7ae0ef0615bbccb56d03c87115eb [0,1,1,0,0,0|2,0,0]=4 683 B17R1.25716 CCC/C=C/COc1cccc(c1C(C)C)F 3e676f32b0e4b2076a5356a0a40ef9a8 [0,1,1,0,0,0|2,0,0]=4 684 B17R1.25716 CCC/C=C\COc1cccc(c1C(C)C)F 30b37e94f4aea73e2ac2ac05f0ecef19 [0,1,1,0,0,0|2,0,0]=4 685 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)Br 6fb790af1718078d9c545ca530094645 [0,1,1,0,0,0|2,0,0]=4 686 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)F 680054ffa238127761b81cd3076e90e0 [0,1,1,0,0,0|2,0,0]=4 687 B17R1.964 CCNC(=O)CNc1ccc(cc1C(C)C)O 29abd430547e0306c8d7592d26d212f9 [0,1,1,0,0,0|2,0,0]=4 688 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)C)Br 177922484f586c23515a53832b86bf33 [0,1,1,0,0,0|1,0,0]=3 689 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)C)C 7006c9d679f4ad546df2cf585a85d833 [0,1,1,0,0,0|1,0,0]=3 690 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)C)Cl 01ada0885e01b293e82a39975cd189d8 [0,1,1,0,0,0|1,0,0]=3 691 B17R1.964 CCNC(=O)COc1ccc(cc1C(C)C)I 9ebfc70ba740b100465fe60fe6856b76 [0,1,1,0,0,0|1,0,0]=3 692 B17R1.964 CCNC(=O)COc1ccc(cc1N(C)C)Cl 6cefbf69014f17adfd5c700840ff0942 [0,1,1,0,0,0|2,0,0]=4 693 B17R1.964 CCOC(=O)COc1ccc(cc1C(C)C)Br 29b5bd2f39a3e6125980568c6e4e98de [0,1,1,0,0,0|2,0,0]=4 694 B17R1.964 CCOC(=O)COc1ccc(cc1C(C)C)C 0c1eab6bd92979f1b37a1d917fb5a4e3 [0,1,1,0,0,0|2,0,0]=4 695 B17R1.964 CCOC(=O)COc1ccc(cc1C(C)C)Cl 0576b6fdccb0d5b47085d42d53dc896d [0,1,1,0,0,0|2,0,0]=4 696 B17R1.964 CCOC(=O)COc1ccc(cc1C(C)C)I 61bbd38938b0605cfb4101cc498095b6 [0,1,1,0,0,0|2,0,0]=4 697 B17R1.4596 CCNC(=O)CN(C)c1ccccc1C(C)C b1487e03a202b1a982baa07a155dcdb7 [0,1,1,0,0,0|2,0,0]=4 698 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)Br 042df49c817c65590047a2ef86175b79 [0,1,1,0,0,0|2,0,0]=4 699 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)C 001da42b46e802015d9181585f139e05 [0,1,1,0,0,0|2,0,0]=4 700 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)Cl c41a299a9e87b31706e2279800c60e28 [0,1,1,0,0,0|2,0,0]=4 701 B17R1.4839 CCNC(=O)CNc1cc(ccc1C(C)C)F bfa929fa3aa0c4e49fd92989b27c526f [0,1,1,0,0,0|2,0,0]=4 702 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)Br 55abc415566b3d4ce4c5f17841af2dd3 [0,1,1,0,0,0|1,0,0]=3 703 B17R1.4839 CCNC(=O)COc1cc(ccc1C(C)C)C 0df9f9d411e3af9045c43ff2ef893019 [0,1,1,0,0,0|1,0,0]=3 704 B17R1.4839 CCNC(=O)COc1cc(ccc1N(C)C)Cl 98360baa00a8f0b3bff44a18dff3ce10 [0,1,1,0,0,0|2,0,0]=4 705 B17R1.4839 CCOC(=O)COc1cc(ccc1C(C)C)Br 34a2d00d085a5d57545b98397c9ac695 [0,1,1,0,0,0|2,0,0]=4 706 B17R1.4839 CCOC(=O)COc1cc(ccc1C(C)C)C 26142e3b181654c859742cabaff38949 [0,1,1,0,0,0|2,0,0]=4 707 B17R1.4857 CCCC(=O)COc1ccccc1C(C)(C)C 73f47909d797b2665ad99f8d3c52fd02 [0,1,1,0,0,0|2,0,0]=4 708 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)C 9cb3e93b01d20297d7e70e7a96e57ef4 [0,1,1,0,0,0|2,0,0]=4 709 B17R1.4857 CCNC(=O)CNc1ccccc1C(C)(C)O cb25cc13926fe79a7aed9b0894c0eb27 [0,1,1,0,0,0|2,0,0]=4 710 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(C)C bcb8f0c770356e727a30413de515e76c [0,1,1,0,0,0|1,0,0]=3 711 B17R1.4857 CCNC(=O)COc1ccccc1C(C)(F)F dc0f30dda4d6908daddb5591d2752622 [0,1,1,0,0,0|2,0,0]=4 712 B17R1.4857 CCNC(=O)COc1cccnc1C(C)(C)C 87fafbc19fbf6bfb1753b241e1d255a3 [0,1,1,0,0,0|2,0,0]=4 713 B17R1.4857 CCOC(=O)COc1ccccc1C(C)(C)C 7e288d2d485c5f0afee8ee990f7fa520 [0,1,1,0,0,0|2,0,0]=4 714 B17R1.4858 CCNC(=O)CNc1ccccc1C(C)CC 08e92f2b5c141166d81b1d8d093b9162 [0,1,1,0,0,0|2,0,0]=4 715 B17R1.4858 CCNC(=O)CNc1ccccc1C(C)OC 13c8b985e8b6fa7e29dbd9ef3134e99b [0,1,1,0,0,0|2,0,0]=4 716 B17R1.4858 CCNC(=O)COc1ccccc1C(C)CC 6e77bff6cf05c1d2010d77fc5f6e63f8 [0,1,1,0,0,0|1,0,0]=3 717 B17R1.4858 CCOC(=O)COc1ccccc1C(C)CC 8c9c2db97e47e8f32222e4495d7c7d53 [0,1,1,0,0,0|2,0,0]=4 718 B17R1.5694 CCNC(=O)C(C)Nc1ccccc1C(C)C 021b0f9e52072627a5f66d77887c327b [0,1,1,0,0,0|2,0,0]=4 719 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1C(C)C 13f599f8d86785c31436b3faf03f3681 [0,1,1,0,0,0|1,0,0]=3 720 B17R1.5694 CCNC(=O)C(C)Oc1ccccc1N(C)C 19ca9b1796981254a55de003d7d78b0e [0,1,1,0,0,0|2,0,0]=4 721 B17R1.5694 CCNC(=O)C(C)Oc1cccnc1C(C)C 1fdc7bef6415e84fbc0f012833e26d62 [0,1,1,0,0,0|2,0,0]=4 722 B17R1.5694 CCNC(=O)C(C)Oc1ccncc1C(C)C 9e66ff68abf27aba6073f8aa7f978480 [0,1,1,0,0,0|2,0,0]=4 723 B17R1.5694 CCNC(=O)[C@H](C)Nc1ccccc1C(C)C bc12f13840d7279fcf5186934f1b8ca3 [0,1,1,0,0,0|2,0,0]=4 724 B17R1.5694 CCOC(=O)C(F)Oc1ccccc1C(C)C 7eddc80139e6c55032aa02bd550eb09a [0,1,1,0,0,0|2,0,0]=4 725 B17R1.21229 CCCC(=O)COc1cccc(c1C(C)C)F 5693f41dc3af15501a093f490a86d649 [0,1,1,0,0,0|2,0,0]=4 726 B17R1.21229 CCNC(=O)COc1cccc(c1C(C)C)F d9e0086a7f7e2836fc16f0a691519c87 [0,1,1,0,0,0|1,0,0]=3 727 B17R1.21229 CCOC(=O)COc1cccc(c1C(C)C)F c4d4353970cee2190ad270be6a8bc6e8 [0,1,1,0,0,0|2,0,0]=4 728 B17R1.25033 CCN(C)C(=O)CNc1ccccc1C(C)C 2bc46a1b0d9fc558eec55ad4a843e136 [0,1,1,0,0,0|2,0,0]=4 729 B17R1.25033 CCN(C)C(=O)COc1ccccc1C(C)C b58b495e17bb0bf0e8fb9e6b5be9db15 [0,1,1,0,0,0|1,0,0]=3 730 B17R1.25033 CCN(C)C(=O)COc1cccnc1C(C)C 5d4053aeda1558ebcd3c4fbb29150bba [0,1,1,0,0,0|2,0,0]=4 731 B17R1.25033 CCN(C)C(=O)COc1ccncc1C(C)C 608303c6f4acaa83648aaa743783a483 [0,1,1,0,0,0|2,0,0]=4 732 B17R1.26416 CC(C)CC(=O)COc1ccccc1C(C)C 8091bd9b4545bbb9bba2c6160c40a715 [0,1,1,0,0,0|2,0,0]=4 733 B17R1.26416 CC(C)NC(=O)CNc1ccccc1C(C)C 4ca0fcdfc69b8209e1f4bf0c423d50c3 [0,1,1,0,0,0|2,0,0]=4 734 B17R1.26416 CC(C)NC(=O)COc1ccccc1C(C)C c678f9e866700598ca69fad57cbd9897 [0,1,1,0,0,0|1,0,0]=3 735 B17R1.26416 CC(C)NC(=O)COc1ccccc1N(C)C ed312096c9230712ad364c1aed8b86e8 [0,1,1,0,0,0|2,0,0]=4 736 B17R1.26416 CC(C)NC(=O)COc1cccnc1C(C)C 5667f59cf56ee0bd5091895814f2e61a [0,1,1,0,0,0|2,0,0]=4 737 B17R1.26416 CC(C)NC(=O)COc1ccncc1C(C)C 2fac862fd9d3ae71ccd7e2a3034b12d1 [0,1,1,0,0,0|2,0,0]=4 738 B17R1.26416 CC(C)OC(=O)COc1ccccc1C(C)C 9b0f1e347e1219740cc18525a3ac15b2 [0,1,1,0,0,0|2,0,0]=4 739 B17R1.125670 CCCC(=O)COc1c(cccc1C(C)C)C bf2dd48ac35aaf206a7dbd7305d0ec84 [0,1,1,0,0,0|2,0,0]=4 740 B17R1.125670 CCCC(=O)COc1c(cccc1C(C)C)Cl 0fe7dd3feafdc55a45e9a8620f3e7ac3 [0,1,1,0,0,0|2,0,0]=4 741 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Br 7c589987d6b54720f7fef3581bfad3bb [0,1,1,0,0,0|2,0,0]=4 742 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)C 4f3b128ba0b19add856254cb4b85509a [0,1,1,0,0,0|2,0,0]=4 743 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)Cl 9804104c580f89a4cdbf629541363f27 [0,1,1,0,0,0|2,0,0]=4 744 B17R1.125670 CCNC(=O)CNc1c(cccc1C(C)C)F 42bfeded8d87537fedec727ecb2d5a18 [0,1,1,0,0,0|2,0,0]=4 745 B17R1.125670 CCNC(=O)COc1c(cccc1C(C)C)Br 868d22c139e2532aa5e35bd969db7b37 [0,1,1,0,0,0|1,0,0]=3 746 B17R1.125670 CCNC(=O)COc1c(cccc1C(C)C)C 29eb319002671a2b852ebf150e0f3189 [0,1,1,0,0,0|1,0,0]=3 747 B17R1.125670 CCNC(=O)COc1c(cccc1C(C)C)Cl 326e3cdd66e13c6d270ef647595c87e3 [0,1,1,0,0,0|1,0,0]=3 748 B17R1.125670 CCNC(=O)COc1c(cccc1C(C)C)I 1d23a220380a6712c0fd1e0462ef4d9e [0,1,1,0,0,0|1,0,0]=3 749 B17R1.125670 CCOC(=O)COc1c(cccc1C(C)C)Br 5d68ec8182d1b4bb08f3d254e55e8781 [0,1,1,0,0,0|2,0,0]=4 750 B17R1.125670 CCOC(=O)COc1c(cccc1C(C)C)C 823f27c976df31702a43be0cb921efcd [0,1,1,0,0,0|2,0,0]=4 751 B17R1.125670 CCOC(=O)COc1c(cccc1C(C)C)Cl 5c807d28d7c4731e6b1afed486f99900 [0,1,1,0,0,0|2,0,0]=4 752 B17R1.125670 CCOC(=O)COc1c(cccc1C(C)C)I bd75f087271ea31479282137fb995601 [0,1,1,0,0,0|2,0,0]=4 753 B17R2.2750 CCc1ccccc1OCc2nccn2C ff1a85017573acb9f74dfe920b061ace [1,1,0,0,0,0|0,0,2]=4 754 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 f9b90ee02c55c6541a0ae8e94397e969 [1,1,0,0,0,0|0,0,2]=4 755 B17R2.4343 CCOc1ccccc1OCc2ncc[nH]2 1db81aafaf221b4ccedef5456ec8c97f [1,1,0,0,0,0|0,0,2]=4 756 B17R2.4343 CCSc1ccccc1OCc2ncc[nH]2 302d0bcb8dfccc3164775dfeb9cbbf8f [1,1,0,0,0,0|0,0,2]=4 757 B17R2.4343 CCSc1ccccc1OCc2nnn[nH]2 10e600fdfe3606553dc84b24661a286b [1,1,0,0,0,0|2,0,0]=4 758 B17R2.4343 COCc1ccccc1OCc2ncc[nH]2 b55adc42f0dec21ac7c87a35b124d918 [1,1,0,0,0,0|0,0,2]=4 759 B17R2.4343 COCc1ccccc1OCc2nnn[nH]2 bc48cd6982bfca8589930f0d097d811c [1,1,0,0,0,0|2,0,0]=4 760 B17R2.4343 CSCc1ccccc1OCc2ncc[nH]2 74245ad955e5f731b8437243be1d036f [1,1,0,0,0,0|0,0,2]=4 761 B17R2.9549 CCc1ccc(cc1OCc2ncc[nH]2)Br 477bb29dadf80f614e180877d219b4b7 [1,1,0,0,0,0|0,0,2]=4 762 B17R2.9549 CCc1ccc(cc1OCc2ncc[nH]2)C fed8be356e0d1df7a1768950a8a6356a [1,1,0,0,0,0|0,0,2]=4 763 B17R2.9549 CCc1ccc(cc1OCc2nnn[nH]2)C 933b7d9eb7fa82756375073d813af40f [1,1,0,0,0,0|2,0,0]=4 764 B17R2.10450 CCc1cc(ccc1OCC2=CCCC2)Cl 246f518b0f0a0ef1655475cacaf62dd5 [1,1,0,0,0,0|2,0,0]=4 765 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)Br 63a3a5de061e6d2f3c12b4421d5b65b8 [1,1,0,0,0,0|0,0,2]=4 766 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)C 8bebdfd976f5aa41531c50005ef90b6d [1,1,0,0,0,0|0,0,2]=4 767 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)Cl 6f2f4bdba61fdb5f6b303c6da5560e99 [1,1,0,0,0,0|0,0,2]=4 768 B17R2.10450 CCc1cc(ccc1OCc2ncc[nH]2)F 46fcbdfc9e3cce3fa948cf2650025dbc [1,1,0,0,0,0|0,0,2]=4 769 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)C 353c18e5eda23da314ad1c0572587f37 [1,1,0,0,0,0|2,0,0]=4 770 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)Cl 7673f333cafb09a34c76092a7fa13a41 [1,1,0,0,0,0|2,0,0]=4 771 B17R2.10450 CCc1cc(ccc1OCc2nnn[nH]2)F 99522321776dde7467b64c841941a6fd [1,1,0,0,0,0|2,0,0]=4 772 B17R2.16287 CCc1c(cccc1OCc2ncc[nH]2)Cl 7486fa715209781a0b5124e60052a7db [1,1,0,0,0,0|0,0,2]=4 773 B17R2.71328 CCc1cccc(c1OCC2=CCCC2)C 911378657628de9fa857793023fac50d [1,1,0,0,0,0|2,0,0]=4 774 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)Br aad8b04edcdf7118a8a0e2aabe339af4 [1,1,0,0,0,0|0,0,2]=4 775 B17R2.71328 CCc1cccc(c1OCc2ncc[nH]2)C f139fd0d7514fbed71a9435ea21e1fcb [1,1,0,0,0,0|0,0,2]=4 776 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)Br 4b86d7d4f8b50b18825baf47fd2fd0fe [1,1,0,0,0,0|2,0,0]=4 777 B17R2.71328 CCc1cccc(c1OCc2nnn[nH]2)C 6467861a4f6677675f2e3e730a55ec24 [1,1,0,0,0,0|2,0,0]=4 778 B17R2.25851 CC(C)c1ccccc1OCC2CC(=O)N2 8daf5bc8821e44fda94b97f3e9d40c67 [0,1,0,0,1,0|0,0,2]=4 779 B17R2.25851 CC1CC(C1)COc2ccccc2C(C)C 6ae32f33b03b66a0b0bd256d6e6ea502 [0,1,0,0,1,0|1,0,1]=4 780 B17R2.58610 CCC(C)c1ccccc1OCC2CCC2 d3cea02d2e2f8fcf1cc6534a03a6537d [0,1,0,0,1,0|1,0,1]=4 781 B17R2.58610 CCC(C)c1ccccc1OCC2CCO2 db41d4a37524bcf48cb4e7652ca8a349 [0,1,0,0,1,0|1,0,1]=4 782 B17R2.58610 CCC(C)c1ccccc1OC[C@@H]2CCO2 73e1341c460c05ede109a4edb0e519e4 [0,1,0,0,1,0|1,0,1]=4 783 B17R2.58610 CCC(C)c1ccccc1OC[C@H]2CCO2 4540d28305e62ab2f167e94a58bda851 [0,1,0,0,1,0|1,0,1]=4 784 B17R2.90753 CC(C)(C)c1ccccc1OCC2CCC2 92277548f509c924e10d8cad26960756 [0,1,0,0,1,0|1,0,1]=4 785 B17R2.90753 CC(C)(C)c1ccccc1OCC2CCO2 b0cb07d865dba14efa15948a7d057ed1 [0,1,0,0,1,0|1,0,1]=4 786 B17R2.90753 CC(C)(C)c1ccccc1OC[C@@H]2CCO2 d2e36b20e1eba4a8fdfda2c4f7713564 [0,1,0,0,1,0|1,0,1]=4 787 B17R2.90753 CC(C)(C)c1ccccc1OC[C@H]2CCO2 31733fba21b34b88d211310a7ff5832f [0,1,0,0,1,0|1,0,1]=4 788 B17R2.157358 CC(C)c1ccc(cc1OCC2CCC2)Br f0a15014446f7b50969eaad57b93382b [0,1,0,0,1,0|1,0,1]=4 789 B17R2.157358 Cc1ccc(c(c1)OCC2CCC2)C(C)C 9be27d67403c96ab7b86e1def87dadbf [0,1,0,0,1,0|1,0,1]=4 790 B17R2.157358 Cc1ccc(c(c1)OCC2CCO2)C(C)C bfd896ed5740eeace0206e437effd249 [0,1,0,0,1,0|1,0,1]=4 791 B17R2.157358 Cc1ccc(c(c1)OC[C@@H]2CCO2)C(C)C ca76ca180b0d6a0174c4e0180077ac00 [0,1,0,0,1,0|1,0,1]=4 792 B17R2.157358 Cc1ccc(c(c1)OC[C@H]2CCO2)C(C)C c74b906b28fa6908701a49e2293a5cf2 [0,1,0,0,1,0|1,0,1]=4 793 B17R2.273748 CC(C)c1c(cccc1OCC2CCC2)F 134cff177493a19a70eb254d9f2a4b19 [0,1,0,0,1,0|1,0,1]=4 794 B17R2.273748 CC(C)c1c(cccc1OCC2CCO2)F b4a960605232b8a74586436fc72099d1 [0,1,0,0,1,0|1,0,1]=4 795 B17R2.273748 CC(C)c1c(cccc1OC[C@@H]2CCO2)F 41e43212b46e7be84194d7dfb9c2917a [0,1,0,0,1,0|1,0,1]=4 796 B17R2.273748 CC(C)c1c(cccc1OC[C@H]2CCO2)F 0d85df54eac2ff9e77aade87f102cd4a [0,1,0,0,1,0|1,0,1]=4 797 B17R2.273924 CC(C)c1cccc(c1OCC2CCC2)Cl 521dcd208a32aaed1d8557a6e47faf7a [0,1,0,0,1,0|1,0,1]=4 798 B17R2.273924 CC(C)c1cccc(c1OCC2CCC2)I 9c97ada7dd2c2d5597a2b5ad165ecafb [0,1,0,0,1,0|1,0,1]=4 799 B17R2.273924 CC(C)c1cccc(c1OCC2CCO2)Cl 1e52ebc5e6dc569490737928dd84dfc5 [0,1,0,0,1,0|1,0,1]=4 800 B17R2.273924 CC(C)c1cccc(c1OCC2CCO2)I 08aa20e1af9954d57746e4c91cb2db30 [0,1,0,0,1,0|1,0,1]=4 801 B17R2.273924 CC(C)c1cccc(c1OC[C@@H]2CCO2)Cl 207accbbe28b1d379ce2da0af8686600 [0,1,0,0,1,0|1,0,1]=4 802 B17R2.273924 CC(C)c1cccc(c1OC[C@@H]2CCO2)I 3b7696d9f0ac3a3999ae7503a5667d4f [0,1,0,0,1,0|1,0,1]=4 803 B17R2.273924 CC(C)c1cccc(c1OC[C@H]2CCO2)Cl e46f3848fbe2c7c0611b28dc1f8e8b9e [0,1,0,0,1,0|1,0,1]=4 804 B17R2.273924 CC(C)c1cccc(c1OC[C@H]2CCO2)I 277abbb7f2f8be197ae8af52f4a3c29a [0,1,0,0,1,0|1,0,1]=4 805 B17R2.273924 Cc1cccc(c1OCC2CCC2)C(C)C cc68496722e197c4967b6779507b4740 [0,1,0,0,1,0|1,0,1]=4 806 B17R2.273924 Cc1cccc(c1OCC2CCO2)C(C)C 481fa79ae427f6b889e46284dc0b0056 [0,1,0,0,1,0|1,0,1]=4 807 B17R2.273924 Cc1cccc(c1OC[C@@H]2CCO2)C(C)C a668c2c7faabb988d0c6e28630047571 [0,1,0,0,1,0|1,0,1]=4 808 B17R2.273924 Cc1cccc(c1OC[C@H]2CCO2)C(C)C b15afb25c022729fe945e3836bf32cdf [0,1,0,0,1,0|1,0,1]=4 809 B17R2.277314 CC(C)c1cc(ccc1OCC2CCC2)I 05618196362a4a36db767e5a1fd81dfb [0,1,0,0,1,0|1,0,1]=4 810 B17R2.277314 CC(C)c1cc(ccc1OCC2CCO2)Cl 5ea46b24333243088a2905fb953e98ad [0,1,0,0,1,0|1,0,1]=4 811 B17R2.277314 CC(C)c1cc(ccc1OCC2CCO2)I c994f35aee8c1d643bc45027f9eed620 [0,1,0,0,1,0|1,0,1]=4 812 B17R2.277314 CC(C)c1cc(ccc1OC[C@@H]2CCO2)Cl 8a748b6f5f6302b95db334da70f7ce2c [0,1,0,0,1,0|1,0,1]=4 813 B17R2.277314 CC(C)c1cc(ccc1OC[C@@H]2CCO2)I d57d3d305fd8d2e2a694aa869a7efeb0 [0,1,0,0,1,0|1,0,1]=4 814 B17R2.277314 CC(C)c1cc(ccc1OC[C@H]2CCO2)Cl 77d50fe4f7390a2ceb0b55f734c3a680 [0,1,0,0,1,0|1,0,1]=4 815 B17R2.277314 CC(C)c1cc(ccc1OC[C@H]2CCO2)I c9bdc1541a02c82bccc29e738acf5604 [0,1,0,0,1,0|1,0,1]=4 816 B17R2.277314 Cc1ccc(c(c1)C(C)C)OCC2CCC2 8ffdf8d66ccfe49a0f98504ed9fd0fe9 [0,1,0,0,1,0|1,0,1]=4 817 B17R2.277314 Cc1ccc(c(c1)C(C)C)OCC2CCO2 39f9bd35cbee6faa6142daba1f427ed9 [0,1,0,0,1,0|1,0,1]=4 818 B17R2.277314 Cc1ccc(c(c1)C(C)C)OC[C@@H]2CCO2 eea40619bb5c161e7b8f6050709fecb0 [0,1,0,0,1,0|1,0,1]=4 819 B17R2.277314 Cc1ccc(c(c1)C(C)C)OC[C@H]2CCO2 91cc5e439326bf5b5c1bc1e2327348ad [0,1,0,0,1,0|1,0,1]=4 820 B17R2.293048 CC(C)c1ccccc1OCC2(CCC2)C 8677be352f4cbb3a7d7a0c644554ead5 [0,1,0,0,1,0|1,0,1]=4 821 B19R2.12753 CCC(C)c1ccccc1OCC2=CCOCC2 337278c2f91e944135852c4853db4297 [0,1,0,0,0,1|2,0,0]=4 822 B19R2.20616 CC(C)(C)c1ccccc1OCC2=CCCCC2 82de2dfced4b5c7e81cbc4cd1c500532 [0,1,0,0,0,1|2,0,0]=4 823 B19R2.20616 CC(C)(C)c1ccccc1OCC2=CCOCC2 61a8d2b9f7e61f1ac0a1a31d560232ee [0,1,0,0,0,1|2,0,0]=4 824 B19R2.62089 CC(C)c1cccc(c1OCC2=CCOCC2)Cl 681cc8c90c5bdaac5fd1479da8ae7155 [0,1,0,0,0,1|2,0,0]=4 825 B19R2.62089 Cc1cccc(c1OCC2=CCCCC2)C(C)C 9ebe96c05b75a19ea20fe75b000975b6 [0,1,0,0,0,1|2,0,0]=4 826 B19R2.62089 Cc1cccc(c1OCC2=CCOCC2)C(C)C 920b6052c0fe44a3a179bb0f2b7a1908 [0,1,0,0,0,1|2,0,0]=4 827 B19R2.62092 CC(C)c1c(cccc1OCC2=CCCCC2)F 37610f6e90e80d98321e423e20b035bb [0,1,0,0,0,1|2,0,0]=4 828 B19R2.62092 CC(C)c1c(cccc1OCC2=CCOCC2)F 03becfbf2f3b9a05ebd292eba1355d27 [0,1,0,0,0,1|2,0,0]=4 829 B19R2.103477 CC(C)c1cc(ccc1OCC2=CCOCC2)Cl bcd08b587706a08aa0364e074f445605 [0,1,0,0,0,1|2,0,0]=4 830 B19R2.103477 CC(C)c1cc(ccc1OCC2=CCOCC2)I 86b1c51cf48b51434b6eb88678c20759 [0,1,0,0,0,1|2,0,0]=4 831 B19R2.8834 CC(C)c1ccccc1COC(C)c2ncc[nH]2 a242940b836284f5a9cbda642a563b03 [0,1,0,0,0,1|0,0,2]=4 832 B19R2.20620 CC(C)(C)c1ccccc1OCCc2nnn[nH]2 1424520383485629c35da7f94408a842 [0,1,0,0,0,1|2,0,0]=4 833 B19R2.45066 CC(C)c1ccccc1COCc2nc(=S)[nH][nH]2 152aca6db0c37d6098f590b6f9316ca5 [0,1,0,0,0,1|1,0,1]=4 834 B19R2.45066 CC(C)c1ccccc1COCc2nc(n[nH]2)Br 0d3d1f2657f45bca19eb5881f232d0a3 [0,1,0,0,0,1|1,0,1]=4 835 B19R2.45066 Cc1c[nH]c(n1)COCc2ccccc2C(C)C b27776bf141e4c4444eb433aae050a58 [0,1,0,0,0,1|0,0,2]=4 836 B19R2.45066 Cc1n[nH]c(n1)COCc2ccccc2C(C)C 2ae9938e8244a28b82d9f106258586c4 [0,1,0,0,0,1|1,0,1]=4 837 B19R2.61576 CC(C)c1ccccc1COCC2=CCCC2=O e031d4f9aaccecf3fb5e597d21c4b3f2 [0,1,0,0,0,1|2,0,0]=4 838 B19R2.61576 CC(C)c1ccccc1COCC2CCCN2C 1b9d75753f1c4177473586ae467b5fa5 [0,1,0,0,0,1|1,0,1]=4 839 B19R2.61576 CC(C)c1ccccc1COC[C@@H]2CCCN2C 4d1c81e00cb0025e44ac06d2738cbab1 [0,1,0,0,0,1|1,0,1]=4 840 B19R2.61576 CC(C)c1ccccc1COC[C@H]2CCCN2C 903a900d2605ea8113535bac48c11bb7 [0,1,0,0,0,1|1,0,1]=4 841 B19R2.61576 CC(C)c1ccccc1COCc2nccn2C 212a9fdfe1ad48f0c528fd242374c767 [0,1,0,0,0,1|0,0,2]=4 842 B19R2.61576 CC(C)c1ccccc1COCc2ncnn2C 3ba1476b3762f339f64a75b1731f41b6 [0,1,0,0,0,1|1,0,1]=4 843 B19R2.61576 CC(C)c1ccccc1COCc2nncn2C d04af70b63a3e904621884d564b536a9 [0,1,0,0,0,1|1,0,1]=4 844 B19R2.61576 CC(C)c1ccccc1COCc2nnnn2C 1e2d1018a8e84aab83721e11317f0635 [0,1,0,0,0,1|2,0,0]=4 845 B19R2.61576 CC(C)c1ccccc1OCCC2CCCN2C 5bedf86523417fd446d50b16a11ac3a1 [0,1,0,0,0,1|1,0,1]=4 846 B19R2.101421 Cc1cccc(c1OCCc2nnn[nH]2)C(C)C ba71c41466aafde3f776e857ff47cdf2 [0,1,0,0,0,1|2,0,0]=4 847 B19R2.103191 CC(C)c1cc(ccc1COCc2ncc[nH]2)Br b54a3d658d735fff48be8c0561259c40 [0,1,0,0,0,1|0,0,2]=4 848 B19R2.111163 CC(C)c1ccccc1C(C)OCC2=CCCC2 f03e6d05634ed0ee4a3550a3b90a82cf [0,1,0,0,0,1|2,0,0]=4 849 B19R2.111163 CC(C)c1ccccc1C(C)OCc2ncc[nH]2 1d38ea50f2018e60be9c5006a9671b2c [0,1,0,0,0,1|0,0,2]=4 850 B19R2.7419 CC(C)Oc1ccccc1OCc2nccn2C 52014e30ad37c5c3c2606dec7c5d79c5 [0,1,0,0,0,1|0,0,2]=4 851 B19R2.62011 CC(C)Oc1cccc(c1OCC2=CCCC2)F 560a330b65e4436c43f48e03cd0214f7 [0,1,0,0,0,1|2,0,0]=4 852 B19R2.62011 CC(C)Oc1cccc(c1OCc2ncc[nH]2)F 3f0f543e4a725cc646af3d4d9694fff7 [0,1,0,0,0,1|0,0,2]=4 853 B19R2.62011 CC(C)Oc1cccc(c1OCc2nnn[nH]2)F cb016ec749605d0dfa91cbdf4df157f8 [0,1,0,0,0,1|2,0,0]=4 854 B19R2.101394 CC(C)Oc1c(cccc1OCC2=CCCC2)F 5ff1951b03f91d39d421dc3a579729cc [0,1,0,0,0,1|2,0,0]=4 855 B19R2.101394 CC(C)Oc1c(cccc1OCc2ncc[nH]2)F 3c9079e6d5577b7469d2c11008b74e19 [0,1,0,0,0,1|0,0,2]=4 856 B19R2.101394 CC(C)Oc1c(cccc1OCc2nnn[nH]2)F 9f25ea8af9b0043f0d8802d434418126 [0,1,0,0,0,1|2,0,0]=4 857 B19R2.103386 CC(C)Oc1cc(ccc1OCC2=CCCC2)Cl c52780ce82dde725742658e8a67620d4 [0,1,0,0,0,1|2,0,0]=4 858 B19R2.103386 CC(C)Oc1cc(ccc1OCC2=CCCC2)F e12cd415c8f7e1759576e20b73a26665 [0,1,0,0,0,1|2,0,0]=4 859 B19R2.103386 CC(C)Oc1cc(ccc1OCc2ncc[nH]2)Cl fe444aa7fe7eb7b4b7481bb6251c8009 [0,1,0,0,0,1|0,0,2]=4 860 B19R2.103386 CC(C)Oc1cc(ccc1OCc2ncc[nH]2)F 4588332378bf6b4d8ce88627b066ef25 [0,1,0,0,0,1|0,0,2]=4 861 B19R2.103386 CC(C)Oc1cc(ccc1OCc2nnn[nH]2)Cl d4476bdb8a5164cbd69f30c1c5b08d48 [0,1,0,0,0,1|2,0,0]=4 862 B19R2.103386 CC(C)Oc1cc(ccc1OCc2nnn[nH]2)F 6cfd3008dd6e2ae18d70966fcb97bcb0 [0,1,0,0,0,1|2,0,0]=4 863 B19R2.103386 Cc1ccc(c(c1)OC(C)C)OCC2=CCCC2 003f3a5546c9214bbad646c355737bc4 [0,1,0,0,0,1|2,0,0]=4 864 B19R2.103386 Cc1ccc(c(c1)OC(C)C)OCc2ncc[nH]2 cbc5774dec97189172f89ac23cef4277 [0,1,0,0,0,1|0,0,2]=4 865 B19R2.103386 Cc1ccc(c(c1)OC(C)C)OCc2nnn[nH]2 b46f7c12e4d0f354064888fe62156bf5 [0,1,0,0,0,1|2,0,0]=4 866 B19R2.103465 CC(C)Oc1ccc(cc1OCC2=CCCC2)F f64b3e735f83c4dd4cdb800715b9e3fb [0,1,0,0,0,1|2,0,0]=4 867 B19R2.103465 CC(C)Oc1ccc(cc1OCc2ncc[nH]2)F 7f3a2257aacf3d435e8680c8a3c9d897 [0,1,0,0,0,1|0,0,2]=4 868 B19R2.103465 CC(C)Oc1ccc(cc1OCc2nnn[nH]2)F f6465d21648ae4377846d67d5f509ead [0,1,0,0,0,1|2,0,0]=4 869 B19R2.257126 CC(C)(C)Oc1ccccc1OCc2ncc[nH]2 ca97d14908b37dbd7ecd7e4f7ef64fca [0,1,0,0,0,1|0,0,2]=4 870 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCC2=CCCC2 6ecb4d2deda63795ece99b5e5f00e3c8 [0,1,0,0,0,1|2,0,0]=4 871 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCc2ncc[nH]2 a0a9bfa6bbe70e7bf36bfa27b3b05284 [0,1,0,0,0,1|0,0,2]=4 872 B19R2.64185 CC(C)c1cccc(=O)c(c1)OCc2nnn[nH]2 24cbcd7e281aa8ac1f20b5c626899729 [0,1,0,0,0,1|2,0,0]=4 873 B19R2.7420 Cn1ccnc1COc2ccccc2C(C)(C)C 2b2b10bef819f4106a9e656092a9f6e3 [0,2,0,0,0,0|0,0,2]=4 874 B19R2.12787 CCC(C)c1ccccc1OCc2nccn2C 308cc13c193c37b634a3e03ed0faac43 [0,2,0,0,0,0|0,0,2]=4 875 B19R2.61572 CC(C)c1c(cccc1OCc2nccn2C)F d1a693d6e94e45e0c97f204cb524cfbe [0,2,0,0,0,0|0,0,2]=4 876 B19R2.95041 CC(C)c1cccc(c1OCc2nccn2C)Br 0e04902ba17e6415fe9b5ba7fc68fbaa [0,2,0,0,0,0|0,0,2]=4 877 B19R2.95041 CC(C)c1cccc(c1OCc2nccn2C)Cl a4b5ebe2d076aaad0a2384099841f714 [0,2,0,0,0,0|0,0,2]=4 878 B19R2.95041 CC(C)c1cccc(c1OCc2nccn2C)I 62bf74bc748c22bf3b061a6219203535 [0,2,0,0,0,0|0,0,2]=4 879 B19R2.95041 Cc1cccc(c1OCc2nccn2C)C(C)C b94ac93af81274e729c99652b5169725 [0,2,0,0,0,0|0,0,2]=4 880 B19R2.103467 CC(C)c1ccc(cc1OCc2nccn2C)Br 4929858663b896e39ddf91bee35cb62c [0,2,0,0,0,0|0,0,2]=4 881 B19R2.103467 Cc1ccc(c(c1)OCc2nccn2C)C(C)C f4a7bdc879ee5d7afd4cb167bb942711 [0,2,0,0,0,0|0,0,2]=4 882 B19R2.103491 CC(C)c1cc(ccc1OCc2nccn2C)Br 0656ced8b8f5d710d975867dc70cc8d4 [0,2,0,0,0,0|0,0,2]=4 883 B19R2.103491 CC(C)c1cc(ccc1OCc2nccn2C)Cl 4a5d66244ce042e2d1edaf2f830fb339 [0,2,0,0,0,0|0,0,2]=4 884 B19R2.103491 CC(C)c1cc(ccc1OCc2nccn2C)I b6c0f77f2395fefaaeade28e347d53c4 [0,2,0,0,0,0|0,0,2]=4 885 B19R2.103491 Cc1ccc(c(c1)C(C)C)OCc2nccn2C ed8b9ddeb088c3dccbd20df292a2d12b [0,2,0,0,0,0|0,0,2]=4 886 B19R2.7066 CCC(C)(C)c1ccccc1OCC2=CCCC2 af117991ebf2168e0e38c00d01c6b6cc [0,2,0,0,0,0|2,0,0]=4 887 B19R2.7066 CCC(C)(C)c1ccccc1OCc2ncc[nH]2 6fd7f454211d209c57919d7c9e132f5c [0,2,0,0,0,0|0,0,2]=4 888 B19R2.7066 CCC(C)(C)c1ccccc1OCc2nnn[nH]2 7b19b060ea93c2f53f4a9587319fc2f6 [0,2,0,0,0,0|2,0,0]=4 889 B19R2.8587 COC(OC)c1ccccc1OCc2ncc[nH]2 a4f7924b750f12e2615b456ee5e82205 [0,2,0,0,0,0|0,0,2]=4 890 B19R2.1333974 CCC(C)c1cccc(c1OCc2ncc[nH]2)Br 3e326025bba87457b176aad899534505 [0,2,0,0,0,0|0,0,2]=4 891 B19R2.44946 CC(C)(C)c1ccccc1OCc2n[nH]c(=O)[nH]2 3679edbf047f59fca87bef2a23576f8d [0,2,0,0,0,0|1,0,1]=4 892 B19R2.62010 CC(C)(C)c1cccc(c1OCC2=CCCC2)Cl 781ad0433d67070a4efe89ba22ea6b85 [0,2,0,0,0,0|2,0,0]=4 893 B19R2.62010 CC(C)(C)c1cccc(c1OCc2ncc[nH]2)Br e3113e215cbf8445e4f9d06953ac28ee [0,2,0,0,0,0|0,0,2]=4 894 B19R2.62010 CC(C)(C)c1cccc(c1OCc2ncc[nH]2)Cl aaa8d38df5131da487b81ba5bf0a0191 [0,2,0,0,0,0|0,0,2]=4 895 B19R2.62010 CC(C)(C)c1cccc(c1OCc2ncc[nH]2)F c18e79ae97615483ee92fd194ecbca45 [0,2,0,0,0,0|0,0,2]=4 896 B19R2.62010 CC(C)(C)c1cccc(c1OCc2nnn[nH]2)Br e191d5092268f7ac3bde5b1a9b5c408b [0,2,0,0,0,0|2,0,0]=4 897 B19R2.62010 CC(C)(C)c1cccc(c1OCc2nnn[nH]2)Cl 2726e642ebcfeb69693854d92c864531 [0,2,0,0,0,0|2,0,0]=4 898 B19R2.62010 CC(C)(C)c1cccc(c1OCc2nnn[nH]2)F 0982109c741bc503e720d8b2f8a9c4ef [0,2,0,0,0,0|2,0,0]=4 899 B19R2.62010 Cc1cccc(c1OCC2=CCCC2)C(C)(C)C c335f2417c1ec575e1cb2401d6d5545d [0,2,0,0,0,0|2,0,0]=4 900 B19R2.62010 Cc1cccc(c1OCc2ncc[nH]2)C(C)(C)C 0aeac08a7b02e3aea942d6f930abdffb [0,2,0,0,0,0|0,0,2]=4 901 B19R2.62010 Cc1cccc(c1OCc2nnn[nH]2)C(C)(C)C 646d99946bde10a92b69c26121e7aa4a [0,2,0,0,0,0|2,0,0]=4 902 B19R2.103346 CC(C)(C)c1cc(ccc1OCC2=CCCC2)Cl 676bc54d02f3d5e11a3388cefa11bba6 [0,2,0,0,0,0|2,0,0]=4 903 B19R2.103346 CC(C)(C)c1cc(ccc1OCC2=CCCC2)F 05ee7124d181af34eab8987bf19a2995 [0,2,0,0,0,0|2,0,0]=4 904 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)Br 1f2191567843a676b73cb1389634c5d4 [0,2,0,0,0,0|0,0,2]=4 905 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)Cl a87dee231b0257cb0b2c5d3d6d5f96a8 [0,2,0,0,0,0|0,0,2]=4 906 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)F 283687aea84e30437a38984482a65d56 [0,2,0,0,0,0|0,0,2]=4 907 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2ncc[nH]2)I 8b0f4e2b3f9bcd38a62932cd94493dac [0,2,0,0,0,0|0,0,2]=4 908 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)Br 08950efb89fa2e3c11f7fc3084d36687 [0,2,0,0,0,0|2,0,0]=4 909 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)Cl 4bc08dbb646aa891f3ec7234ceb329e9 [0,2,0,0,0,0|2,0,0]=4 910 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)F 5fc0edba93e73f16565df7ec857539e6 [0,2,0,0,0,0|2,0,0]=4 911 B19R2.103346 CC(C)(C)c1cc(ccc1OCc2nnn[nH]2)I c4776d5b3f120b29951e5b11062a1669 [0,2,0,0,0,0|2,0,0]=4 912 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCc2ncc[nH]2 a12ec68f40af2c600b435c93c59201d6 [0,2,0,0,0,0|0,0,2]=4 913 B19R2.103346 Cc1ccc(c(c1)C(C)(C)C)OCc2nnn[nH]2 42076c0a15f663af8d0745c59463938d [0,2,0,0,0,0|2,0,0]=4 914 B19R2.103463 Cc1ccc(c(c1)OCc2ncc[nH]2)C(C)(C)C e541a086b5232a269f5c0145fb86f7f2 [0,2,0,0,0,0|0,0,2]=4 915 B19R2.103463 Cc1ccc(c(c1)OCc2nnn[nH]2)C(C)(C)C 2f7e9a6a491d55d9f40337c7b0dc1e84 [0,2,0,0,0,0|2,0,0]=4 916 B19R2.190801 CC(C)c1cccc(c1OCC2=CCCC2)C=O bdcf0dff927f546089c5bfeb0d8b7d87 [0,2,0,0,0,0|2,0,0]=4 917 B19R2.190801 CC(C)c1cccc(c1OCc2ncc[nH]2)C=O 912a9df048013301b9fa2e1b043773e7 [0,2,0,0,0,0|0,0,2]=4 918 B19R2.190801 CC(C)c1cccc(c1OCc2nnn[nH]2)C=O f776c2fc55cee1bb0c0bf3ca13ea84b4 [0,2,0,0,0,0|2,0,0]=4 919 B19R2.229122 CC(C)c1cc(cc(c1OCc2ncc[nH]2)I)Br d45aaf68f34bf0cd1f52c7aad170c469 [0,2,0,0,0,0|0,0,2]=4 920 B19R2.497805 Cc1ccc(c(c1Br)OCc2ncc[nH]2)C(C)C 28ff7d8a778da167b32cf079cba73176 [0,2,0,0,0,0|0,0,2]=4 921 B19R2.497805 Cc1ccc(c(c1Br)OCc2nnn[nH]2)C(C)C c81120f60864a1f4395febac8736f3e1 [0,2,0,0,0,0|2,0,0]=4 922 B19R2.190797 CC(C)c1c(cccc1OCc2ncc[nH]2)C#N c4058ee39370d4561fcbdd50d9f9dd31 [0,2,0,0,0,0|0,0,2]=4 923 B19R2.102876 Cc1cc(c(cc1Br)C(C)C)OCc2ncc[nH]2 c4a7be3df0ef46669e461e1c0f0128d2 [0,2,0,0,0,0|0,0,2]=4 924 B19R2.102876 Cc1cc(c(cc1Cl)C(C)C)OCc2ncc[nH]2 6ab33f8825e45787eccfdf29a346e788 [0,2,0,0,0,0|0,0,2]=4 925 B19R2.195451 CC(C)c1cc(ccc1OCC2=CCCC2)C#N 84b09c03a6e97861f196795246c7a2c2 [0,2,0,0,0,0|2,0,0]=4 926 B19R2.195451 CC(C)c1cc(ccc1OCC2=CCCC2)C=O f71eb87454c7d381e0b4bb806aac50de [0,2,0,0,0,0|2,0,0]=4 927 B19R2.195451 CC(C)c1cc(ccc1OCc2ncc[nH]2)C#N 764a62dfc7199b5feb5aed5678b18cd5 [0,2,0,0,0,0|0,0,2]=4 928 B19R2.195451 CC(C)c1cc(ccc1OCc2ncc[nH]2)C=O 4c74f88fa6b70c992865546b3b9214b7 [0,2,0,0,0,0|0,0,2]=4 929 B19R2.195451 COc1ccc(c(c1)C(C)C)OCC2=CCCC2 6f969b0b488f6d578a437f6de88889a2 [0,2,0,0,0,0|2,0,0]=4 930 B19R2.195451 COc1ccc(c(c1)C(C)C)OCc2ncc[nH]2 1b5a0847ad0695ac7ffea846d24ca190 [0,2,0,0,0,0|0,0,2]=4 931 B19R2.195451 COc1ccc(c(c1)C(C)C)OCc2nnn[nH]2 1cce98416b405eff227a23718cd98149 [0,2,0,0,0,0|2,0,0]=4 932 B17R2.5618 CC(C)c1ccccc1OC2C=CCCC2 6e4cab1eadca44938bb75771bb912553 [0,0,1,1,0,0|2,0,0]=4 933 B17R2.45243 CC(C)c1ccccc1OCCNC2CC2 7fd86b910ca292818782db3525b6bee2 [0,0,1,1,0,0|1,0,1]=4 934 B17R2.73767 CCC/C=C/COc1ccccc1C2CC2 facb27a90ce9bfdd4a3ce01f5fa95a0b [0,0,1,1,0,0|2,0,0]=4 935 B17R2.73767 CCC/C=C\COc1ccccc1C2CC2 b4420160814d111f10b49945bf02b404 [0,0,1,1,0,0|2,0,0]=4 936 B17R2.293058 CC(C)c1ccccc1OCCN2CCC2 189057d6a6908f44e26e6a7e596f8c55 [0,0,1,1,0,0|1,0,1]=4 937 B17R2.45242 CC(C)c1ccccc1OCC(=O)C2CC2 01c8604c338256f2d5afbf55369cf235 [0,0,1,1,0,0|2,0,0]=4 938 B17R2.49523 CCNC(=O)CN1CC(c2c1cccc2)C a35faf8e8d388e3e0e0d3e88b39ef466 [0,0,1,1,0,0|2,0,0]=4 939 B17R2.49594 CCCC(=O)COc1ccccc1C2CC2 1d7daadf87910247500bf1db4a0703dd [0,0,1,1,0,0|2,0,0]=4 940 B17R2.49594 CCNC(=O)CNc1ccccc1C2CC2 afe0693ccbbfcc9276181a1332aea15d [0,0,1,1,0,0|2,0,0]=4 941 B17R2.49594 CCNC(=O)COc1ccccc1C2CC2 ff8d797b783352a7a77f34115d4ab26f [0,0,1,1,0,0|1,0,0]=3 942 B17R2.49594 CCNC(=O)COc1cccnc1C2CC2 47dcc3c0fdf711814572e3804a91f290 [0,0,1,1,0,0|2,0,0]=4 943 B17R2.49594 CCOC(=O)COc1ccccc1C2CC2 6e9d786caf2cefadb545a1df2199ace1 [0,0,1,1,0,0|2,0,0]=4 944 B17R3.128124 c1ccc(c(c1)OCC2CCC2)C3CC3 35f984b90e3abe0cc3cd5dd2ae8d0a59 [0,0,0,1,1,0|1,0,1]=4 945 B17R3.128124 c1ccc(c(c1)OCC2CCO2)C3CC3 df006dd4fb6938ebaa20305294b465ef [0,0,0,1,1,0|1,0,1]=4 946 B17R3.128124 c1ccc(c(c1)OC[C@@H]2CCO2)C3CC3 e2b967ae188278b41adea54952cf118f [0,0,0,1,1,0|1,0,1]=4 947 B17R3.128124 c1ccc(c(c1)OC[C@H]2CCO2)C3CC3 27b888e54de7fc4e4ef8fa37e63baea4 [0,0,0,1,1,0|1,0,1]=4 948 B19R3.19217 C1=C(CCOC1)COc2ccccc2C3CC3 d2667cc7c3d05a07e8358f4497ae1cae [0,0,0,1,0,1|2,0,0]=4 949 B19R3.62427 c1ccc(c(c1)COCc2ncc[nH]2)C3CC3 f2327be9a3930d4bd8f404de3e82eb84 [0,0,0,1,0,1|0,0,2]=4 950 B19R3.62427 c1ccc(c(c1)OCCc2nnn[nH]2)C3CC3 738e5f2f6ebbb1953e7f6e7b27eb5f96 [0,0,0,1,0,1|2,0,0]=4 951 B19R3.8812 Cn1ccnc1COc2ccccc2C3CC3 b700b0022ba7652bc996bc203bafaed2 [0,1,0,1,0,0|0,0,2]=4 952 B19R3.62398 c1ccc(c(c1)OCc2ncc[nH]2)C3CCC3 4f1b5abc7e895eb318d888a0a07969c9 [0,1,0,1,0,0|0,0,2]=4 953 B19R3.62398 c1ccc(c(c1)OCc2nnn[nH]2)C3CCC3 914860ea4bd76edaf14c7c28b457721a [0,1,0,1,0,0|2,0,0]=4 954 B19R3.327209 Brc1cccc(c1OCc2ncc[nH]2)C3CC3 92fc1ee6d990a46ac6ceecda1e4d0597 [0,1,0,1,0,0|0,0,2]=4 955 B19R3.327209 Brc1cccc(c1OCc2nnn[nH]2)C3CC3 9296d6826347aae34c9051d24f068823 [0,1,0,1,0,0|2,0,0]=4 956 B19R3.327209 Cc1cccc(c1OCC2=CCCC2)C3CC3 caf9a25063f63fce9cbe2093bbdbcc71 [0,1,0,1,0,0|2,0,0]=4 957 B19R3.327209 Cc1cccc(c1OCc2ncc[nH]2)C3CC3 ed986ed5c0aa16ece6d882867231484e [0,1,0,1,0,0|0,0,2]=4 958 B19R3.327209 Cc1cccc(c1OCc2nnn[nH]2)C3CC3 07c9dce9c4d9c76f7421ac730c01e2af [0,1,0,1,0,0|2,0,0]=4 959 B19R3.327209 Fc1cccc(c1OCc2ncc[nH]2)C3CC3 18f75660f4bcb7ec3f9fabb3ba22e4d3 [0,1,0,1,0,0|0,0,2]=4 960 B19R3.327209 Fc1cccc(c1OCc2nnn[nH]2)C3CC3 05ebf59d557bf6bd0a8af8c2b213c2fd [0,1,0,1,0,0|2,0,0]=4 961 B19R3.182531 Fc1cccc(c1C2CC2)OCc3ncc[nH]3 b5a1db11c01a7665806aec60995d323b [0,1,0,1,0,0|0,0,2]=4 962 B19R3.182531 Fc1cccc(c1C2CC2)OCc3nnn[nH]3 33713a240990cf591cfeb5e76175a4bd [0,1,0,1,0,0|2,0,0]=4 963 B19R3.60243 Brc1ccc(c(c1)C2CC2)OCC3=CCCC3 ef384e46be2a8bac634064883e99ac85 [0,1,0,1,0,0|2,0,0]=4 964 B19R3.60243 Brc1ccc(c(c1)C2CC2)OCc3ncc[nH]3 7e4fd0a960960c8f9376b4d28b00c70d [0,1,0,1,0,0|0,0,2]=4 965 B19R3.60243 Fc1ccc(c(c1)C2CC2)OCC3=CCCC3 656b1466d04880d9a2262244c037f5ea [0,1,0,1,0,0|2,0,0]=4 966 B19R3.60243 Fc1ccc(c(c1)C2CC2)OCc3ncc[nH]3 a02cbe1e5ec850f2b5da324dd2bf5682 [0,1,0,1,0,0|0,0,2]=4 967 B19R3.60243 Fc1ccc(c(c1)C2CC2)OCc3nnn[nH]3 9d67e4e1910772e04fd5e6169f8d739f [0,1,0,1,0,0|2,0,0]=4 968 B19R3.541241 Fc1ccc(c(c1)OCc2ncc[nH]2)C3CC3 3ad0a5ec085c055b572a685ea319c3a3 [0,1,0,1,0,0|0,0,2]=4 969 B19R3.541241 Fc1ccc(c(c1)OCc2nnn[nH]2)C3CC3 912ebc258f5f1c8f8f0a0763ac1d2c6a [0,1,0,1,0,0|2,0,0]=4 970 B15R2.4953 CCc1ccccc1OCC2CCC2 f7d46dab06edfaba5b727a9f3db1d539 [1,0,0,0,1,0|1,0,1]=4 971 B15R2.4953 CCc1ccccc1OCC2CCO2 d49e75baa1da9d5d32c027d5428d4bb0 [1,0,0,0,1,0|1,0,1]=4 972 B15R2.4953 CCc1ccccc1OC[C@@H]2CCO2 b82805a22d225f3d0b9dbe38192fea71 [1,0,0,0,1,0|1,0,1]=4 973 B15R2.4953 CCc1ccccc1OC[C@H]2CCO2 cbf1fcb8bdea02d4227eb595a200e89d [1,0,0,0,1,0|1,0,1]=4 974 B15R2.1221 CC(C)c1ccccc1c2ncc[nH]2 718622510e29c1caf6fb135b514277d0 [0,0,0,0,2,0|0,0,2]=4 975 B15R2.16320 CC(C)c1ccccc1CN2CCC2 95f450f7bc30ec2d4a766e544efa9a01 [0,0,0,0,2,0|2,0,0]=4 976 B15R2.16319 CC(C)c1ccccc1NCC2CC2 dd45e0ce3124451bf52ea481c99e6642 [0,0,0,0,2,0|1,0,1]=4 977 B15R2.16319 CC(C)c1ccccc1OCC2CC2 cdb5a26d1da1c85f9e9e31fc63e7b298 [0,0,0,0,2,0|0,0,1]=3 978 B15R2.16319 CC(C)c1cnccc1OCC2CC2 cc84144999375e63ecdd6d48245ba2ef [0,0,0,0,2,0|1,0,1]=4 979 B15R2.16319 CC(C)c1ncccc1OCC2CC2 8e8e0d78e8a0a7c21155e9e3491c08ed [0,0,0,0,2,0|1,0,1]=4 980 B15R2.16319 CN(C)c1ccccc1OCC2CC2 020882bdc9ba8eaeff9f1fd94bf13387 [0,0,0,0,2,0|1,0,1]=4 981 B17R1.4154 CC(C)Oc1ccccc1OCCNCCBr 163330631d4f64b7b67c46e5dc1ffbb6 [0,0,1,0,0,1|1,0,1]=4 982 B17R1.4154 CC(C)Oc1ccccc1OCCNCCF 0bef1e6c9591ac15697bae1afd8e7812 [0,0,1,0,0,1|1,0,1]=4 983 B17R1.4154 CC(C)Oc1ccccc1OCCNCCI 204fdd95e1f0bdc0176379b6ba6946ba [0,0,1,0,0,1|1,0,1]=4 984 B17R1.4154 CC(C)Oc1ccccc1OCCNCCO 0748b318e4f475a7129d5ac9bb741808 [0,0,1,0,0,1|1,0,1]=4 985 B17R1.4154 CC(C)Oc1ccccc1OCCNCCS 3b7d1f55b0e7a6207512fd120c4c114d [0,0,1,0,0,1|1,0,1]=4 986 B17R1.4154 CCC/C=C/COc1ccccc1OC(C)C 241c53e0d1b72dd6b01e1cc899acb87a [0,0,1,0,0,1|2,0,0]=4 987 B17R1.4154 CCC/C=C\COc1ccccc1OC(C)C 9f3dfde03979638373f1d34b15196719 [0,0,1,0,0,1|2,0,0]=4 988 B17R1.4154 CCCNCCOc1ccccc1OC(C)C 38f1e8a585293d4742b91c89cc475e8a [0,0,1,0,0,1|1,0,1]=4 989 B17R1.4856 CCCC(=O)COc1ccccc1OC(C)C d2b866914f937d4de484037bfa5c875b [0,0,1,0,0,1|2,0,0]=4 990 B17R1.4856 CCNC(=O)CNc1ccccc1CC(C)C 078c3ce3b172eac30a06105991a88c51 [0,0,1,0,0,1|2,0,0]=4 991 B17R1.4856 CCNC(=O)CNc1ccccc1OC(C)C 12de74cfa32ce289b286365bcba53668 [0,0,1,0,0,1|2,0,0]=4 992 B17R1.4856 CCNC(=O)CNc1ccccc1SC(C)C 8061ca9219fa7dceed39ac07b0fc65c6 [0,0,1,0,0,1|2,0,0]=4 993 B17R1.4856 CCNC(=O)COc1ccccc1CN(C)C 6addabaf8f739ed578511c624f4bb7b9 [0,0,1,0,0,1|2,0,0]=4 994 B17R1.4856 CCNC(=O)COc1ccccc1OC(C)C ea143a63fff18e34298c42621ae29497 [0,0,1,0,0,1|1,0,0]=3 995 B17R1.4856 CCNC(=O)COc1cccnc1OC(C)C c604dab3d7e74a33900e28564a8f3812 [0,0,1,0,0,1|2,0,0]=4 996 B17R1.4856 CCOC(=O)COc1ccccc1OC(C)C adcf6b389e0b26b6bc7618da5b6ae95b [0,0,1,0,0,1|2,0,0]=4 997 B17R2.262 CCc1ccccc1OCC2=CCOCC2 784fd202da3fdebe98d4d49364c51e39 [1,0,0,0,0,1|2,0,0]=4 998 B17R2.2739 CCc1ccccc1COCc2ncc[nH]2 d0029a7329c6f2a573bb0bd051e8829c [1,0,0,0,0,1|0,0,2]=4 999 B17R2.5660 CC(C)c1cccc(c1)OCC2=CCCC2 4d07482c2488df1342fbbfbddf4dceeb [0,0,0,0,1,1|2,0,0]=4 1000 B17R2.5660 CC(C)c1cccc(c1)OCc2ncc[nH]2 0c3bc58a38f6ebe3bfe7ba3c3e6ff41b [0,0,0,0,1,1|0,0,2]=4 1001 B17R2.5660 CC(C)c1cccc(c1)OCc2nnn[nH]2 83512d1d8a5921cfdbe28503e358269d [0,0,0,0,1,1|2,0,0]=4 1002 B17R2.5660 CC(C)c1cccc(n1)OCC2=CCCC2 26ed7259a4733714efa0e0b7637bff86 [0,0,0,0,1,1|2,0,0]=4 1003 B17R2.5660 CC(C)c1cccc(n1)OCc2ncc[nH]2 a9dc0e0dfad63d85395953a7246c797e [0,0,0,0,1,1|0,0,2]=4 1004 B17R2.5660 CC(C)c1cccc(n1)OCc2nnn[nH]2 0d4875fc306fa6b604bf813772accab0 [0,0,0,0,1,1|2,0,0]=4 1005 B17R2.60657 CC(C)Oc1ccccc1OCC2CCC2 bc44a6dcf5bc01182700a5e88aa146b3 [0,0,0,0,1,1|1,0,1]=4 1006 B17R2.60657 CC(C)Oc1ccccc1OCC2CCO2 dcd72c756eb5644ef837db21fda4d8e0 [0,0,0,0,1,1|1,0,1]=4 1007 B17R2.60657 CC(C)Oc1ccccc1OC[C@@H]2CCO2 bb8018d3aad0e7e541959a9a034b496f [0,0,0,0,1,1|1,0,1]=4 1008 B17R2.60657 CC(C)Oc1ccccc1OC[C@H]2CCO2 2f83ad5b5310f877215984b8016e71f8 [0,0,0,0,1,1|1,0,1]=4 1009 B19R2.8826 CC(C)c1ccccc1COCC2=CCCCC2 acb9e28b861d2b432cb7fcbe58f53cdc [0,0,0,0,0,2|2,0,0]=4 1010 B19R2.8826 CC(C)c1ccccc1COCC2=CCCCO2 0c820a80e9178621f1135097159907eb [0,0,0,0,0,2|2,0,0]=4 1011 B19R2.8826 CC(C)c1ccccc1COCC2=CCCOC2 a1f11cc5386db47f892f31bd2ed52800 [0,0,0,0,0,2|2,0,0]=4 1012 B19R2.8826 CC(C)c1ccccc1COCC2=CCOCC2 d008e4b709f7a225d4ec4322b389426a [0,0,0,0,0,2|2,0,0]=4 1013 B19R2.13525 CC(C)Oc1ccccc1OCC2=CCOCC2 ce6282892290adf2673377ec1525d3cf [0,0,0,0,0,2|2,0,0]=4 1014 B19R2.8835 CC(C)c1ccccc1COCC=C2CCCC2 36f83fad99e117642ca2e51442db02d5 [0,0,0,0,0,2|2,0,0]=4 1015 B19R2.8835 CC(C)c1ccccc1COCCc2ncc[nH]2 ad27f656b3814fdb8aed0131e7c39e8e [0,0,0,0,0,2|0,0,2]=4 1016 B19R2.8835 CC(C)c1ccccc1OCCNc2ncc[nH]2 64a9a917db8cbd6fb6d9dc20dedb9d3c [0,0,0,0,0,2|0,0,2]=4 1017 B19R2.13534 CC(C)Oc1ccccc1COCc2ncc[nH]2 c7c6a3c790e207b75ffb1f5a3585863a [0,0,0,0,0,2|0,0,2]=4 1018 B19R2.111493 CC(C)COc1ccccc1OCc2ncc[nH]2 6a04a963d044b12a702b39d8d8dba2c2 [0,0,0,0,0,2|0,0,2]=4