0 B23R3.4212093 CC(C)(C)OCCNC1CCCc2c1[nH]c3c2cccc3 666185513b76198d123ec2e930a32df1 [0,0,1,0,0,0|2,0,0]=3 1 B23R3.4212093 CC(C)(C)OCCOC1CCCc2c1[nH]c3c2cccc3 3be1390d02946ba86fe82fcbe761bdf2 [0,0,1,0,0,0|2,0,0]=3 2 B23R3.4212093 CC(C)(C)SCCNC1CCCc2c1[nH]c3c2cccc3 41af053fecc22d26033361f003af7104 [0,0,1,0,0,0|2,1,0]=4 3 B23R3.4212093 CC(C)(C)SCCOC1CCCc2c1[nH]c3c2cccc3 fde68d5b4e08d402ef3f135d679cc1fc [0,0,1,0,0,0|2,1,0]=4 4 B23R3.10172403 CC1(CC(CCO1)CNCCC2COc3c2cccc3)C bdda9a53f147fdae3e52cbcf5c46d3a5 [0,0,1,0,0,0|1,0,2]=4 5 B23R3.10172403 CC1(CC(CCO1)CNCCN2CCc3c2cccc3)C 3c4b373264094d54963ce475a6073986 [0,0,1,0,0,0|2,0,1]=4 6 B23R3.10172403 CC1(CC(CCO1)CNCCc2c[nH]c3c2cccc3)C 598b89988fb83964aa1c3e94e7f09d32 [0,0,1,0,0,0|0,0,0]=1 7 B23R3.10172403 CC1(CC(CCO1)CNCCc2c[nH]c3c2cccn3)C 577903a1894183bc396fb301f8d0e8d2 [0,0,1,0,0,0|1,0,0]=2 8 B23R3.10172403 CC1(CC(CCO1)CNCCc2c[nH]c3c2nccc3)C b02b1baf83c2e1cd1db0d28c577811db [0,0,1,0,0,0|1,0,0]=2 9 B23R3.10172403 CC1(CC(CCO1)CNCCc2coc3c2cccc3)C 028e9fbd74c93bbf36d2e429e5564dcd [0,0,1,0,0,0|1,0,0]=2 10 B23R3.10172403 CC1(CC(CCO1)CNCCc2nnc3n2cccc3)C 6e905349520116e404ec2bc1035a3c85 [0,0,1,0,0,0|2,0,1]=4 11 B23R3.10172403 CC1(CC(CCO1)CNCCc2noc3c2cccc3)C 132c9694cacdf03d24758d68f077407b [0,0,1,0,0,0|2,0,0]=3 12 B23R3.10172403 CC1(CC(CCO1)CNCCn2ccc3c2cccc3)C 0d09e2feca7cd5c549db94dcc28ff717 [0,0,1,0,0,0|2,0,0]=3 13 B23R3.10172403 CC1(CC(CCO1)CNCCn2cnc3c2cccc3)C 2771e3cc92f4e698ec4e0e303a37a1d8 [0,0,1,0,0,0|1,0,1]=3 14 B23R3.10172403 CC1(CC(CCO1)CNCCn2nnc3c2cccc3)C 900f4369f5a67f3c584aa169f18aa6c5 [0,0,1,0,0,0|2,0,1]=4 15 B23R3.10172403 CC1(CC(CCO1)COCCc2c[nH]c3c2cccc3)C 13b44235b4fdb7cf2a3dec33ee61143a [0,0,1,0,0,0|1,0,0]=2 16 B23R3.10172403 CC1(CC(CCO1)COCCc2c[nH]c3c2cccn3)C 22676b32df1e8c42aa5022eb8b69fcd9 [0,0,1,0,0,0|2,0,0]=3 17 B23R3.10172403 CC1(CC(CCO1)COCCc2cnc3n2cccc3)C e28be1c8ba9dd951898a3d78abdc2c02 [0,0,1,0,0,0|2,0,1]=4 18 B23R3.10172403 CC1(CC(CCO1)COCCc2coc3c2cccc3)C 8bae8c3aef1e35f914bb748befb18dba [0,0,1,0,0,0|2,0,0]=3 19 B23R3.10172403 CC1(CC(CCO1)COCCc2noc3c2cccc3)C 384d65fffaf76d2895e21c811d7be0e4 [0,0,1,0,0,0|3,0,0]=4 20 B23R3.10172403 CC1(CC(CCO1)COCCn2ccc3c2cccc3)C a6c7e4d72b62d2ea67ad88df55f2f666 [0,0,1,0,0,0|3,0,0]=4 21 B23R3.10172403 CC1(CC(CCO1)COCCn2cnc3c2cccc3)C 82ed961ad09b2931276be7ab96dcecca [0,0,1,0,0,0|2,0,1]=4 22 B23R3.10172403 CC1(CC(CCO1)NCCCc2c[nH]c3c2cccc3)C f73dab09d614082d49da76b173bb59b4 [0,0,1,0,0,0|2,0,0]=3 23 B23R3.10172403 CC1(CC(CCO1)OCCCc2c[nH]c3c2cccc3)C beea03dbdceaff943c0adf5b8821f6e6 [0,0,1,0,0,0|2,0,0]=3 24 B23R3.10172403 FC1(CCCC(C1)CNCCc2c[nH]c3c2cccc3)F 3134c1314dabb09b462ab6e4dc1857d7 [0,0,1,0,0,0|3,0,0]=4 25 B23R3.20552933 CC(C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 00c481c721389d19d676986032981c07 [0,0,1,0,0,0|2,0,0]=3 26 B23R3.20552933 CC(O)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 9415e0a6707ed9fe23dc4a11286d988d [0,0,1,0,0,0|3,0,0]=4 27 B23R3.20552933 CN(C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 a7f55e72eb1b3530ca3f8ef9aba85ca2 [0,0,1,0,0,0|3,0,0]=4 28 B23R3.20552933 C[C@H](O)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 1aae1899ada0398ae1cabd474dec343c [0,0,1,0,0,0|3,0,0]=4 29 B23R4.11950700 CC1(CC(CCO1)N2CCn3c2nc4c3cccc4)C a0e096c398ebd8950a45cc223d79ece7 [0,0,0,0,1,0|2,0,1]=4 30 B25R4.25049902 CC1(CC(CCO1)NC2CCCc3c2[nH]c4c3cccc4)C 87bfa6b1b9231911828b5055236c8199 [0,0,0,0,0,1|1,0,0]=2 31 B25R4.25049902 CC1(CC(CCO1)OC2CCCc3c2[nH]c4c3cccc4)C 8ccbe73b9f26caff8f30ef097d69ff79 [0,0,0,0,0,1|1,0,0]=2 32 B22R3.70974 CC1(CC(CCO1)Nc2[nH]c3ccccc3c2CO)C d8afccdeb07f408848355f9b71c2b5c3 [1,0,1,0,0,0|2,0,0]=4 33 B22R3.70974 CC1(C[C@@H](CCO1)Nc2[nH]c3ccccc3c2CO)C 4ba600ffcba2572eea03197a75dd6c4a [1,0,1,0,0,0|2,0,0]=4 34 B22R3.70974 CC1(C[C@H](CCO1)Nc2[nH]c3ccccc3c2CO)C 54b827518e2858cd2bb1190108b055e2 [1,0,1,0,0,0|2,0,0]=4 35 B22R3.129495904 CCN(c1nc2ccccc2[nH]1)C3CCOC(C3)(C)C 8692143e3652856ed5129af4af65261e [1,0,1,0,0,0|2,0,0]=4 36 B22R3.579319 COC(C)(C)CNC1CCCc2c1[nH]c3c2cccc3 aa5b42729e87df8e6daf19abaf44c636 [1,0,1,0,0,0|2,0,0]=4 37 B22R3.774031 CC(C)OCCNC1CCCc2c1[nH]c3c2cccc3 a8f3afc863620875e412c52a071d159d [1,0,1,0,0,0|2,0,0]=4 38 B22R3.774031 CC(C)OCCOC1CCCc2c1[nH]c3c2cccc3 fc7d5e9d3ddea17ac3f55b9c3b9e4764 [1,0,1,0,0,0|2,0,0]=4 39 B22R3.11591 CC1CCCC(C1)CNCCc2c[nH]c3c2cccc3 42ad28df23df0bf60ab61e721bf44a44 [1,0,1,0,0,0|1,0,0]=3 40 B22R3.11591 CC1CCCC(C1)CNCCc2c[nH]c3c2cccn3 09e79533eef7ff34e433b9e3f96a2dd0 [1,0,1,0,0,0|2,0,0]=4 41 B22R3.11591 CC1CCCC(C1)COCCc2c[nH]c3c2cccc3 b799d790ebaf30502f0cf037e304a0d8 [1,0,1,0,0,0|2,0,0]=4 42 B22R3.11591 OC1CCCC(C1)CNCCc2c[nH]c3c2cccc3 4768eaf1fbfff58328de16ade5f689d0 [1,0,1,0,0,0|2,0,0]=4 43 B22R3.11591 O[C@@H]1CCC[C@@H](C1)CNCCc2c[nH]c3c2cccc3 2353230b2fe3595930037ef8c271d8c4 [1,0,1,0,0,0|2,0,0]=4 44 B22R3.13080999 CCCN(CCO)C1CCCc2c1[nH]c3c2cccc3 2ee31a381ab80557631e55fc9669b071 [1,0,1,0,0,0|2,0,0]=4 45 B24R3.23960096 CC(C)(C)OCCNC1CCCc2c1[nH]c3c2cccc3Cl 7375a053fdaeb31e7570baf4612612b2 [0,1,1,0,0,0|2,0,0]=4 46 B24R3.1591637919 CC(C)(C)OCCNC1CCCc2c1[nH]c3c2cc(cc3)F d208b087aae016a8c803cc61ecc72088 [0,1,1,0,0,0|2,0,0]=4 47 B24R3.67100 CN(CCn1ccc2c1cccc2)CC3CCOC(C3)(C)C 77bdbbd5e2de89c51b3b23223eb621b4 [0,1,1,0,0,0|2,0,0]=4 48 B24R3.448488 CC(COCC1CCOC(C1)(C)C)c2c[nH]c3c2cccc3 3c01ae6a3e704873af62777e7c00a033 [0,1,1,0,0,0|1,0,0]=3 49 B24R3.448488 CC1(CC(CCO1)CNCC(=O)c2c[nH]c3c2cccc3)C 745e33ca2c25ae59f4da2076b5047e05 [0,1,1,0,0,0|0,0,1]=3 50 B24R3.448488 CC1(CC(CCO1)CNCC(=O)c2c[nH]c3c2cccn3)C 23e716d186a79aacfceb6ad230a9b549 [0,1,1,0,0,0|1,0,1]=4 51 B24R3.448488 CC1(CC(CCO1)CNCC(=O)c2coc3c2cccc3)C 95b955e4d8c8b341b84272b29da1f242 [0,1,1,0,0,0|1,0,1]=4 52 B24R3.448488 CC1(CC(CCO1)CNCC(=O)c2csc3c2cccc3)C 966bfd6995ee96540088f7f06c94807c [0,1,1,0,0,0|1,0,1]=4 53 B24R3.448488 CC1(CC(CCO1)COCC(=O)c2c[nH]c3c2cccc3)C d8c10e0688c590521edf03857bb48960 [0,1,1,0,0,0|1,0,1]=4 54 B24R3.448488 C[C@@H](COCC1CCOC(C1)(C)C)c2c[nH]c3c2cccc3 9cc9fae32ce1b4e99f82728ed877852d [0,1,1,0,0,0|1,0,0]=3 55 B24R3.448488 C[C@H](COCC1CCOC(C1)(C)C)c2c[nH]c3c2cccc3 04945bb3b0019557fb41a08d06f6fcad [0,1,1,0,0,0|1,0,0]=3 56 B24R3.1994218 CC1(CN(CCO1)C(=O)NCCc2c[nH]c3c2cccc3)C c19c0c7a839ea3ea264dccd6b760cbc8 [0,1,1,0,0,0|1,0,1]=4 57 B24R3.1994218 CC1(CN(CCO1)C(=S)NCCc2c[nH]c3c2cccc3)C 03932a0319655d8d8d5eef61a39c2880 [0,1,1,0,0,0|1,0,1]=4 58 B24R3.2434735 CC1(CC(CCO1)CNCCc2c[nH]c3c2ccc(c3)Br)C 7ce470de919beeedff69d3be8c97dbe8 [0,1,1,0,0,0|0,0,0]=2 59 B24R3.2434735 CC1(CC(CCO1)CNCCc2c[nH]c3c2ccc(c3)Cl)C 561bac1102c74900c04def0a7b030783 [0,1,1,0,0,0|0,0,0]=2 60 B24R3.2434735 CC1(CC(CCO1)CNCCc2c[nH]c3c2ccc(c3)F)C 7d04468ed72c507711a8e43f9d35e74d [0,1,1,0,0,0|0,0,0]=2 61 B24R3.2434735 CC1(CC(CCO1)COCCc2c[nH]c3c2ccc(c3)Br)C b1594c156bd906a94d8b2d2331c3873f [0,1,1,0,0,0|1,0,0]=3 62 B24R3.2434735 Cc1ccn2c(cnc2c1)CCNCC3CCOC(C3)(C)C 768f29b55e0aace26104f1143017ef44 [0,1,1,0,0,0|1,0,1]=4 63 B24R3.3205611 CC1(CC(CCO1)CNCCn2c(=O)[nH]c3c2cccc3)C 9dc2d55b4e6dd84a4878d1598e50e536 [0,1,1,0,0,0|1,0,0]=3 64 B24R3.3205611 CC1(CC(CCO1)COCCC2C(=O)Nc3c2cccc3)C 46b57a59b8a2420f2c55da9929b44903 [0,1,1,0,0,0|1,0,1]=4 65 B24R3.3205611 CC1(CC(CCO1)COCCn2c(=O)[nH]c3c2cccc3)C acd9cfddacff0d33c456dd3edac6ff31 [0,1,1,0,0,0|2,0,0]=4 66 B24R3.3205611 Cc1[nH]c2ccccc2c1CCNCC3CCOC(C3)(C)C 038ccd89c519282a530109b38d4cc795 [0,1,1,0,0,0|0,0,0]=2 67 B24R3.15379059 CC1(CC(CCO1)CNCCc2c[nH]c3c2cc(cc3)Br)C c5731cb89704de2e40ce1a42bab42297 [0,1,1,0,0,0|0,0,0]=2 68 B24R3.15379059 CC1(CC(CCO1)CNCCc2c[nH]c3c2cc(cc3)Cl)C a856822ca2e4c7db2b25f2bf3ef0fbc4 [0,1,1,0,0,0|0,0,0]=2 69 B24R3.15379059 CC1(CC(CCO1)CNCCc2c[nH]c3c2cc(cc3)F)C a3de5fe982c8f98f2be7db7aa7a667e3 [0,1,1,0,0,0|0,0,0]=2 70 B24R3.15379059 CC1(CC(CCO1)CNCCc2csc3c2cc(cc3)Cl)C 6ce874fb1baa2caf6b5cc5576bcf3996 [0,1,1,0,0,0|1,0,0]=3 71 B24R3.15379059 CC1(CC(CCO1)COCCc2c[nH]c3c2cc(cc3)Br)C db6feaebeb792fe56a66c6e46e83b528 [0,1,1,0,0,0|1,0,0]=3 72 B24R3.15379059 CC1(CC(CCO1)COCCc2c[nH]c3c2cc(cc3)Cl)C 16bf3d7157e25a44ffbbb20d60788283 [0,1,1,0,0,0|1,0,0]=3 73 B24R3.15379059 CC1(CC(CCO1)COCCc2c[nH]c3c2cc(cc3)F)C 9c548e227f5ba0e6feb982fed5e8db31 [0,1,1,0,0,0|1,0,0]=3 74 B24R3.15379059 CC1(CC(CCO1)NCCCc2c[nH]c3c2cc(cc3)Br)C 1114742265bce67a20c17f26ce21e9e6 [0,1,1,0,0,0|2,0,0]=4 75 B24R3.15379059 CC1(CC(CCO1)NCCCc2c[nH]c3c2cc(cc3)Cl)C f9da5203f1c90b9170c92a5a989e4f23 [0,1,1,0,0,0|2,0,0]=4 76 B24R3.15379059 CC1(CC(CCO1)OCCCc2c[nH]c3c2cc(cc3)Br)C 1f46ac8af7b8b649c08b0ec910b16deb [0,1,1,0,0,0|2,0,0]=4 77 B24R3.15379059 CC1(CC(CCO1)OCCCc2c[nH]c3c2cc(cc3)F)C fd8a1ceb590a6c4be8a015630fd31842 [0,1,1,0,0,0|2,0,0]=4 78 B24R3.15379059 Cc1ccc2[nH]cc(c2c1)CCCNC3CCOC(C3)(C)C 11b1e411cbc61383573c7c635c0ea4af [0,1,1,0,0,0|2,0,0]=4 79 B24R3.15379059 Cc1ccc2[nH]cc(c2c1)CCNCC3CCOC(C3)(C)C 6c9060a5ec1a8f8f42b5658f24443f2a [0,1,1,0,0,0|0,0,0]=2 80 B24R3.23920886 Cc1cccc2c1[nH]cc2CCNCC3CCOC(C3)(C)C 1ae483fd366e15cde9b8bec269517896 [0,1,1,0,0,0|0,0,0]=2 81 B24R3.23966315 CC1(CC(CCO1)CNCCc2c[nH]c3c2c(ccc3)Cl)C ee976a3f44a66c557fbaf9f2cfa2bf0e [0,1,1,0,0,0|0,0,0]=2 82 B24R3.23966315 CC1(CC(CCO1)COCCc2c[nH]c3c2c(ccc3)Br)C b297a8c958bcc99901f4a0d2bc9231e0 [0,1,1,0,0,0|1,0,0]=3 83 B24R3.53963763 Cn1cc(c2c1cccc2)CCCNC3CCOC(C3)(C)C 4f05c6717ce3fef9dc0db7ddfa3b91db [0,1,1,0,0,0|2,0,0]=4 84 B24R3.53963763 Cn1cc(c2c1cccc2)CCNCC3CCOC(C3)(C)C 91ffded4e81ca7e55a49f7d0e17f0b6b [0,1,1,0,0,0|0,0,0]=2 85 B24R3.53963763 Cn1cc(c2c1cccc2)CCOCC3CCOC(C3)(C)C 71580f7df42c14a23aff10b63ae0d888 [0,1,1,0,0,0|1,0,0]=3 86 B24R3.106965812 CC(Cc1c[nH]c2c1cccc2)OCC3CCOC(C3)(C)C bf6b0929a755492f592dae6d3cb3cd7f [0,1,1,0,0,0|1,0,0]=3 87 B24R3.106965812 CC(Cn1ccc2c1cccc2)NCC3CCOC(C3)(C)C 2ed9fe0a271e8d9ee3de1cedeba5ccf3 [0,1,1,0,0,0|2,0,0]=4 88 B24R3.106965812 CC1(CC(CCO1)CNC(=O)Cc2coc3c2cccc3)C b361a40bbcf1c16c4ab01334c080c00d [0,1,1,0,0,0|1,0,1]=4 89 B24R3.106965812 CC1(CC(CCO1)CNC(=O)Cc2csc3c2cccc3)C b0de8862dd1e8cb9612e82297799467c [0,1,1,0,0,0|1,0,1]=4 90 B24R3.106965812 CC1(CC(CCO1)CNC(=O)Nc2c[nH]c3c2cccc3)C d1c39c0903c1a8f1c1f830e12877b031 [0,1,1,0,0,0|1,0,1]=4 91 B24R3.106965812 CC1(CC(CCO1)CNC(=S)Nc2c[nH]c3c2cccc3)C 471744a9af3953bc7db8eb6da7aefbc7 [0,1,1,0,0,0|1,0,1]=4 92 B24R3.144008587 CC1(CCCC(C1)(C)CNCCc2c[nH]c3c2cccn3)C c15aa1056c4d54760d662df4fa3cf337 [0,1,1,0,0,0|2,0,0]=4 93 B24R3.51008108 CC(C)(C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 00c2f8bf7c8e9e35305bed79e00ce58c [0,1,1,0,0,0|2,0,0]=4 94 B24R3.51008108 CC(C)(F)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 a8011d906483a7314c29e8521ba47d7a [0,1,1,0,0,0|2,0,0]=4 95 B24R3.51008108 CC(C)(O)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 5484eae3b60052eee2f0fd4c5fffbb3b [0,1,1,0,0,0|2,0,0]=4 96 B24R3.266397233 CC(CO)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 025b4c36f3329281c2f6b7496f65415a [0,1,1,0,0,0|2,0,0]=4 97 B24R3.266397233 CCC(C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 c595888423e4dc5abb9b4f6b1195929a [0,1,1,0,0,0|2,0,0]=4 98 B24R3.266397233 CC[C@@H](C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 1b209d69ac395103c64672dd8e73843d [0,1,1,0,0,0|2,0,0]=4 99 B24R3.266397233 CC[C@H](C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 d98b100c995c4c8fdf8221b8621779a0 [0,1,1,0,0,0|2,0,0]=4 100 B24R3.266397233 COC(C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 91b590fcabdc1f16fb8f112e480ec3df [0,1,1,0,0,0|2,0,0]=4 101 B24R3.266397233 CO[C@@H](C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 a2f7cc909820cdc13b369646a833abb2 [0,1,1,0,0,0|2,0,0]=4 102 B24R3.266397233 CO[C@H](C)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 407d27129ecb79b003449c3cddf8227e [0,1,1,0,0,0|2,0,0]=4 103 B24R3.266397233 C[C@@H](CO)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 8b14ed3347860fc64b48dff6af6dfe7f [0,1,1,0,0,0|2,0,0]=4 104 B24R3.266397233 C[C@H](CO)CN(CCO)C1CCCc2c1[nH]c3c2cccc3 2236b06cfacd5b4d2ec9b5ae01bc7730 [0,1,1,0,0,0|2,0,0]=4 105 B26R4.24204147 CC1(CC(CCO1)NC2CCCc3c2[nH]c4c3cccc4Cl)C ddcb0fc19df9b2304fc1b3abdeff1011 [0,1,0,0,0,1|1,0,0]=3 106 B26R4.376834730 CC1(CC(CCO1)NC2CCCc3c2[nH]c4c3cc(cc4)F)C 88859f87951f0239bd68c0e056a9ff36 [0,1,0,0,0,1|1,0,0]=3 107 B22R2.5833845 CC1(CC(CCO1)CNCCC(=O)c2ccccc2F)C 6c4740296c85c5a6fd0193d980474360 [0,0,2,0,0,0|2,0,0]=4 108 B22R2.2761 CC(C)(O)CCCCCNCCc1c[nH]c2c1cccc2 893b6f257996fa1c5e0b80ad5af1427a [0,0,2,0,0,0|2,0,0]=4 109 B24R4.179973348 CC1(CC(CCO1)CN2CCn3c2nc4c3cccc4)C 099a5146639998fc1e05edc538c1e463 [0,0,1,1,0,0|1,0,1]=4 110 B24R4.43428937 OCCN(CC1CC1)C2CCCc3c2[nH]c4c3cccc4 3e7c8760f5720eeeb1b0799c8ef0b8cf [0,0,1,1,0,0|2,0,0]=4 111 B22R3.3228451 CC(C)(C)CCNC1CCCc2c1[nH]c3c2cccc3 f393ac187e3998cd32fe778edfa03a04 [0,0,1,0,1,0|2,0,0]=4 112 B22R3.3228451 CC(C)(C)CCOC1CCCc2c1[nH]c3c2cccc3 c74a4cd68dd48096c7f590336836ba35 [0,0,1,0,1,0|2,0,0]=4 113 B22R3.6737143 CC1(OCCC1CNCCc2c[nH]c3c2cccn3)C 0d3d7d47d0804ff4d9ef43cdca936be0 [0,0,1,0,1,0|1,0,0]=3 114 B22R3.6737143 CC1(OCCC1CNCCc2noc3c2cccc3)C 4ded1e44b90078e07839b4dc9fb0ba3d [0,0,1,0,1,0|2,0,0]=4 115 B22R3.6737143 CC1(OCCC1CNCCn2ccc3c2cccc3)C d936aa53ec076e1817305a0c51d7bc12 [0,0,1,0,1,0|2,0,0]=4 116 B22R3.6737143 CC1(OCCC1CNCCn2cnc3c2cccc3)C 2d0c0a9542babdd4d32dff2863a1add1 [0,0,1,0,1,0|1,0,1]=4 117 B22R3.6737143 CC1(OCCC1COCCc2c[nH]c3c2cccn3)C 1d914896d9923d506a538885e1736082 [0,0,1,0,1,0|2,0,0]=4 118 B22R3.6741500 CC1(CC(CO1)CNCCc2c[nH]c3c2cccc3)C c41bca5e9bab6ac68ba4d806bd51ecea [0,0,1,0,1,0|0,0,0]=2 119 B22R3.6741500 CC1(CC(CO1)CNCCc2c[nH]c3c2cccn3)C 7db270db23c4f3cb7785bc86056671ee [0,0,1,0,1,0|1,0,0]=3 120 B22R3.6741500 CC1(CC(CO1)CNCCc2noc3c2cccc3)C e1ddc37e281ffa50c5bfbd570aebe78e [0,0,1,0,1,0|2,0,0]=4 121 B22R3.6741500 CC1(CC(CO1)CNCCn2ccc3c2cccc3)C c2bec70bba6100ab7129503bd8d2b2c5 [0,0,1,0,1,0|2,0,0]=4 122 B22R3.6741500 CC1(CC(CO1)CNCCn2cnc3c2cccc3)C 9cafa5d25fa03a628555b34745b0fd75 [0,0,1,0,1,0|1,0,1]=4 123 B22R3.6741500 CC1(CC(CO1)COCCc2c[nH]c3c2cccc3)C c74a77490f5e4442e8673085fda3bc04 [0,0,1,0,1,0|1,0,0]=3 124 B22R3.6741500 CC1(CC(CO1)COCCc2c[nH]c3c2cccn3)C 07995560e2d8de6e37c125054bf7715e [0,0,1,0,1,0|2,0,0]=4 125 B22R3.6741500 CC1(CCC(C1)COCCc2c[nH]c3c2cccc3)C 3da9d1eac599e04b27b1dac942ca2c1a [0,0,1,0,1,0|1,0,0]=3 126 B22R3.6741500 CC1(CCC(C1)COCCc2c[nH]c3c2cccn3)C 8414267a6391e741956ca0b908e26698 [0,0,1,0,1,0|2,0,0]=4 127 B22R3.6741500 CC1(CCC(C1)NCCCc2c[nH]c3c2cccc3)C 5353b3f0f42e19848f29887147a614be [0,0,1,0,1,0|2,0,0]=4 128 B22R3.6741500 CC1(CCC(C1)OCCCc2c[nH]c3c2cccc3)C ee2bd74b656d3e5a42eb1a397ab50cf8 [0,0,1,0,1,0|2,0,0]=4 129 B22R3.6741500 CC1(CCC(O1)CNCCc2c[nH]c3c2cccc3)C fa67b2afb50d4e60c5044d1428472177 [0,0,1,0,1,0|1,0,0]=3 130 B22R3.6741500 CC1(CCC(O1)CNCCc2c[nH]c3c2cccn3)C 3c03ac014349c922d1e46a6cf151ec4c [0,0,1,0,1,0|2,0,0]=4 131 B22R3.6741500 CC1(CC[C@@H](O1)CNCCc2c[nH]c3c2cccc3)C 56e755f6c5026f85c9d5abea05d2cfc3 [0,0,1,0,1,0|1,0,0]=3 132 B22R3.6741500 CC1(CC[C@@H](O1)CNCCc2c[nH]c3c2cccn3)C 12bd4d9be759ee3d6b2f56d5eadb1531 [0,0,1,0,1,0|2,0,0]=4 133 B22R3.6741500 FC1(CCC(C1)CNCCc2c[nH]c3c2cccc3)F c4df996871d6e632f19926afa81858d8 [0,0,1,0,1,0|2,0,0]=4 134 B22R3.6743967 CC1(CC(CCO1)CNCc2[nH]nc3c2cccc3)C 9cbfe570892191b192130eff6728ef56 [0,0,1,0,1,0|1,0,1]=4 135 B22R3.6743967 CC1(CC(CCO1)CNCc2c[nH]c3c2cccc3)C 13277c627376580072bc7dab5197c6ca [0,0,1,0,1,0|0,0,0]=2 136 B22R3.6743967 CC1(CC(CCO1)CNCc2c[nH]c3c2cccn3)C 56b36d7bc33e601a4f412f29833509ee [0,0,1,0,1,0|1,0,0]=3 137 B22R3.6743967 CC1(CC(CCO1)CNCc2cnc3n2cccc3)C 8d91b7389aadcff42578bfce6efc88d6 [0,0,1,0,1,0|1,0,1]=4 138 B22R3.6743967 CC1(CC(CCO1)CNCc2cnn3c2cccc3)C 260cdeda4a5128316c123f82568c2db0 [0,0,1,0,1,0|1,0,1]=4 139 B22R3.6743967 CC1(CC(CCO1)CNCc2coc3c2cccc3)C a20c847c7a8b7f5507e8e260f873a2bf [0,0,1,0,1,0|1,0,0]=3 140 B22R3.6743967 CC1(CC(CCO1)CNCc2csc3c2cccc3)C 822a84c42f7053058b506b9d5f1a1fc7 [0,0,1,0,1,0|1,0,0]=3 141 B22R3.6743967 CC1(CC(CCO1)CNCc2n[nH]c3c2cccn3)C 4a1d8ffb778deacac3c8902870672827 [0,0,1,0,1,0|2,0,0]=4 142 B22R3.6743967 CC1(CC(CCO1)CNCc2noc3c2cccc3)C 6c14bbc467ea9e6749c6d81409f3eb48 [0,0,1,0,1,0|2,0,0]=4 143 B22R3.6743967 CC1(CC(CCO1)COCc2c[nH]c3c2cccc3)C 64f380d8118d1a7cc0aedf11f242381b [0,0,1,0,1,0|1,0,0]=3 144 B22R3.6743967 CC1(CC(CCO1)COCc2c[nH]c3c2cccn3)C 7f4fd03482e3e11bb0c1cc8bae7750de [0,0,1,0,1,0|2,0,0]=4 145 B22R3.6743967 CC1(CC(CCO1)COCc2coc3c2cccc3)C cbd06b4e6251bdfcef9605ff80470f88 [0,0,1,0,1,0|2,0,0]=4 146 B22R3.6743967 CC1(CC(CCO1)COCc2csc3c2cccc3)C f861c87f4362a848e235a6df25e56715 [0,0,1,0,1,0|2,0,0]=4 147 B22R3.6743967 CC1(CC(CCO1)COCc2n[nH]c3c2cccc3)C 160353a18eabe729e97fe66794b9746d [0,0,1,0,1,0|2,0,0]=4 148 B22R3.6743967 CC1(CC(CCO1)NCCc2c[nH]c3c2cccc3)C 08020ab03439a96e277a9d3683a4d7b9 [0,0,1,0,1,0|0,0,0]=2 149 B22R3.6743967 CC1(CC(CCO1)NCCc2c[nH]c3c2cccn3)C f7eec088922bc2f0486199eb553564b0 [0,0,1,0,1,0|1,0,0]=3 150 B22R3.6743967 CC1(CC(CCO1)NCCc2c[nH]c3c2nccc3)C 12fa696c2e14b214113906e6f92acd4a [0,0,1,0,1,0|1,0,0]=3 151 B22R3.6743967 CC1(CC(CCO1)NCCc2coc3c2cccc3)C 796a6dd12c778ee8902f16573a71cc08 [0,0,1,0,1,0|1,0,0]=3 152 B22R3.6743967 CC1(CC(CCO1)NCCc2noc3c2cccc3)C 00855b6d466eda825683bfe25aa5a44a [0,0,1,0,1,0|2,0,0]=4 153 B22R3.6743967 CC1(CC(CCO1)NCCn2ccc3c2cccc3)C 6ed93e5b49c16537a6e1485a13d8cf8d [0,0,1,0,1,0|2,0,0]=4 154 B22R3.6743967 CC1(CC(CCO1)NCCn2cnc3c2cccc3)C 2ff67dbfdf3e48aa9c3360e0c197f9be [0,0,1,0,1,0|1,0,1]=4 155 B22R3.6743967 CC1(CC(CCO1)OCCc2c[nH]c3c2cccc3)C 02af14b518b3204052d0b1db6525475b [0,0,1,0,1,0|1,0,0]=3 156 B22R3.6743967 CC1(CC(CCO1)OCCc2c[nH]c3c2cccn3)C 63e5665a768bf28ef82222c57b0aa045 [0,0,1,0,1,0|2,0,0]=4 157 B22R3.6743967 CC1(CC(CCO1)OCCc2coc3c2cccc3)C 16ac48dcc97f0244418298c9887be3cf [0,0,1,0,1,0|2,0,0]=4 158 B22R3.6743967 CC1(CCCC(C1)NCCc2c[nH]c3c2cccn3)C 517c66c9cf32a6f62f4b4bfcd17ecd89 [0,0,1,0,1,0|2,0,0]=4 159 B22R3.6743967 CC1(CCC[C@@H](C1)NCCc2c[nH]c3c2cccn3)C 11b203994be85745c9b94e2d49150f2c [0,0,1,0,1,0|2,0,0]=4 160 B22R3.6743967 CC1(CCC[C@H](C1)NCCc2c[nH]c3c2cccn3)C ff205719ad6cb53f69005e93aca40ab1 [0,0,1,0,1,0|2,0,0]=4 161 B22R3.6743967 CC1(C[C@@H](CCO1)NCCc2c[nH]c3c2cccc3)C 87e0baa138a82a90c69511b86fe35f3a [0,0,1,0,1,0|0,0,0]=2 162 B22R3.6743967 CC1(C[C@@H](CCO1)NCCc2c[nH]c3c2cccn3)C b98a2f550cff0a6dcdda74dc1b75f14f [0,0,1,0,1,0|1,0,0]=3 163 B22R3.6743967 CC1(C[C@@H](CCO1)NCCc2noc3c2cccc3)C 738bb4524b5e3fcbb59bd1d1eb1f3edb [0,0,1,0,1,0|2,0,0]=4 164 B22R3.6743967 CC1(C[C@@H](CCO1)NCCn2ccc3c2cccc3)C a2190eeab1d01b8581deee6488429a6d [0,0,1,0,1,0|2,0,0]=4 165 B22R3.6743967 CC1(C[C@@H](CCO1)NCCn2cnc3c2cccc3)C c923f95510dad30cc37a145b375090f3 [0,0,1,0,1,0|1,0,1]=4 166 B22R3.6743967 CC1(C[C@@H](CCO1)OCCc2c[nH]c3c2cccc3)C a5a76017cae96a12100560f0dba3814e [0,0,1,0,1,0|1,0,0]=3 167 B22R3.6743967 CC1(C[C@@H](CCO1)OCCc2c[nH]c3c2cccn3)C e4beca8d937a35f08c930572091275c9 [0,0,1,0,1,0|2,0,0]=4 168 B22R3.6743967 CC1(C[C@H](CCO1)NCCc2c[nH]c3c2cccc3)C ad74379c0cbae600fca94fb7457f9658 [0,0,1,0,1,0|0,0,0]=2 169 B22R3.6743967 CC1(C[C@H](CCO1)NCCc2c[nH]c3c2cccn3)C 20727cdca7540e374dcae77311551aac [0,0,1,0,1,0|1,0,0]=3 170 B22R3.6743967 CC1(C[C@H](CCO1)NCCc2noc3c2cccc3)C b42897f3a9caaa9fa581caab1fe8e0f4 [0,0,1,0,1,0|2,0,0]=4 171 B22R3.6743967 CC1(C[C@H](CCO1)NCCn2ccc3c2cccc3)C a518ffbba7b094b895154c311d551d7b [0,0,1,0,1,0|2,0,0]=4 172 B22R3.6743967 CC1(C[C@H](CCO1)NCCn2cnc3c2cccc3)C f36d05db32201738dfb9d323db37d485 [0,0,1,0,1,0|1,0,1]=4 173 B24R3.5572939 CC(C)(C)SCCCNC1CCCc2c1[nH]c3c2cccc3 41da4c0d14211309a5042e6a422014a2 [0,0,1,0,0,1|1,1,0]=4 174 B24R3.5572939 CC(C)(C)SCCCOC1CCCc2c1[nH]c3c2cccc3 bf4cd577346b4a7fb016a329bd08d70e [0,0,1,0,0,1|1,1,0]=4 175 B24R3.14799058 CC1(CC(CCO1)CNCCc2cccc3c2cccc3)C d61720796827cee7156ccd68ed0c7ef8 [0,0,1,0,0,1|1,0,0]=3 176 B24R3.14799058 CC1(CC(CCO1)COCCc2cccc3c2cccc3)C 825de5fe0b83799375e7441725ac04f0 [0,0,1,0,0,1|2,0,0]=4 177 B24R3.14928315 CC1(CC(CCO1)CNCCc2ccc3ccccc3c2)C 4739fe5cfe829df220d63d5b00659f27 [0,0,1,0,0,1|1,0,0]=3 178 B24R3.14928315 CC1(CC(CCO1)CNCCc2ccc3ccccc3n2)C 960071f67385faef31a01373bd4ab941 [0,0,1,0,0,1|1,0,0]=3 179 B24R3.14928315 CC1(CC(CCO1)COCCc2ccc3ccccc3c2)C a3c5bb69614192159d894a2eb31db76e [0,0,1,0,0,1|2,0,0]=4 180 B24R3.14928315 CC1(CC(CCO1)COCCc2ccc3ccccc3n2)C 8e72d875d920d02b3f902ef7493af987 [0,0,1,0,0,1|2,0,0]=4 181 B24R3.14928404 CC1(CC(CCO1)CNCCCc2c[nH]c3c2cccc3)C 23b427c90597a584f60707f7a2a3a5a9 [0,0,1,0,0,1|0,0,0]=2 182 B24R3.14928404 CC1(CC(CCO1)CNCCCn2ccc3c2cccc3)C 022eab3a12ab5e8112dfddc68eb293c4 [0,0,1,0,0,1|2,0,0]=4 183 B24R3.14928404 CC1(CC(CCO1)CNCCCn2cnc3c2cccc3)C 130ebc4fd00fdf26155c268b427bf560 [0,0,1,0,0,1|1,0,1]=4 184 B24R3.14928404 CC1(CC(CCO1)COCCCc2c[nH]c3c2cccc3)C fdcf38b410101602539160666b76fa33 [0,0,1,0,0,1|1,0,0]=3 185 B24R3.14928404 CC1(CN(CCO1)CCNCCc2c[nH]c3c2cccn3)C 3c92210dd9029b8948916afdf7b83ea4 [0,0,1,0,0,1|2,0,0]=4 186 B24R3.50982870 CC(C)CCN(CCO)C1CCCc2c1[nH]c3c2cccc3 ec18d4bc5bec7468c4075299cea5608c [0,0,1,0,0,1|2,0,0]=4 187 B24R3.50982870 CC(C)OCN(CCO)C1CCCc2c1[nH]c3c2cccc3 6c1e37a4dbf07d9550ddc20617f8924d [0,0,1,0,0,1|2,0,0]=4 188 B24R4.18852492 CC1(CC(CCO1)N2CCc3c([nH]c4c3cccc4)C2)C 62f343aa9d6c77fd3d983da1e70656de [0,0,0,0,1,1|1,0,0]=3 189 B24R4.18852492 CC1(CC(CCO1)N2CCc3c(oc4c3cccc4)C2)C 0fca5d0ac46d503d7cbc4b8b39e3812e [0,0,0,0,1,1|2,0,0]=4 190 B24R4.18852622 CC1(CC(CCO1)N2CCc3c2ccc4c3cccc4)C 2c9f25aea2b27d700a1c3b930d732139 [0,0,0,0,1,1|2,0,0]=4 191 B26R4.102702600 CC1(CC(CCO1)CNC2CCCc3c2[nH]c4c3cccc4)C 7a671dac97cd6d19b2e741c46df9c06c [0,0,0,0,0,2|1,0,0]=3 192 B26R4.102702600 CC1(CC(CCO1)COC2CCCc3c2[nH]c4c3cccc4)C 03e8febc7ccefee9037eefd7a92c9c17 [0,0,0,0,0,2|1,0,0]=3