0 B10R1.66 C=C(C)COc1ccco1 b3f905ff0261eb167bbdc638ad76153d [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.66 CC(=O)NCc1ccco1 88956646aad494b49b38617dc9c4b71b [0,0,0,0,0,0|2,0,1]=3 3 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [0,0,0,0,0,0|2,1,1]=4 4 B10R1.66 CC(=O)NCc1ccno1 23171c461f7c76fb2a080276054f467a [0,0,0,0,0,0|3,0,1]=4 5 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [0,0,0,0,0,0|3,0,1]=4 6 B10R1.66 CC(=O)NCc1ncco1 6519ae7ebb18199243fcd7f03af8a730 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.66 CC(C)CCN1CC=CC1 23d44de641c734899549ae278af00bd8 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.66 CC(C)CNc1cc[nH]n1 d30f3d9f735de26e6dfb045fd907401f [0,0,0,0,0,0|4,0,0]=4 9 B10R1.66 CC(C)CNc1cccs1 67dcb3c9cca955e96d2162e1f77ad9d3 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.66 CC(C)CNc1ccno1 d420346ba8917b35352d6152b17bb83c [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 CC(C)CNc1ccns1 2b5f6f1887d9e5decd9620245fa92d0f [0,0,0,0,0,0|3,1,0]=4 12 B10R1.66 CC(C)CNc1ccoc1 92d7f688a6d1f51c3400fe3a15833da1 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 CC(C)CNc1ccon1 603a476ab3e5d06007016561080e4211 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.66 CC(C)CNc1ccsc1 7cc22761b2fabc54b5196a591e8fc4c9 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.66 CC(C)CNc1cncs1 1675bf6cd829f5bf1a63ea5f5545bb1e [0,0,0,0,0,0|3,1,0]=4 16 B10R1.66 CC(C)CNc1cocn1 45ddbb9a7109368c0c6340d68958763c [0,0,0,0,0,0|4,0,0]=4 17 B10R1.66 CC(C)CNc1cscn1 84a1d8bf5382cf239191c71ffc20e506 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.66 CC(C)CNc1ncc[nH]1 9831b6d9d33420b283b5239da94f05d7 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.66 CC(C)CNc1ncco1 8259e209777df60cb7a7ca8861c36e93 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.66 CC(C)CNc1nccs1 57d5b8e82d624238ba5df3d643c93ee0 [0,0,0,0,0,0|3,1,0]=4 21 B10R1.66 CC(C)CNc1nnco1 eafbfacaf754b1a8318012237c05d3e6 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.66 CC(C)COc1c[nH]cn1 5a6a70e59cd27d2b7c499cd9ff765ea7 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.66 CC(C)COc1cccs1 c3a2875732f90e39bc97fc0388c7ee98 [0,0,0,0,0,0|2,1,0]=3 25 B10R1.66 CC(C)COc1ccn[nH]1 3d6e15f86279d1facf6c68f6a20710c7 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.66 CC(C)COc1ccsc1 374674527614a256faaff2fdb87d8e4a [0,0,0,0,0,0|4,0,0]=4 27 B10R1.66 CC(C)COc1nccs1 c7d517a6b08e547f6b5f0267e322a342 [0,0,0,0,0,0|3,1,0]=4 28 B10R1.66 CC(C)COn1cccn1 f2ab86970e2e625f8da0ffe6fabf186c [0,0,0,0,0,0|4,0,0]=4 29 B10R1.66 CC(C)NCC1CC=CC1 25c955ae9a46b74fc49aef5a6cb83900 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.66 CC(C)NCc1c[nH]nn1 f35ceb1f6617dc1928630563699ec6c0 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.66 CC(C)NCc1cc[nH]c1 cf294f8cbcc8fb18d9d4535f2cee2d84 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.66 CC(C)NCc1ccc[nH]1 c8f8c41b508c6a9e408dd2699920d8e8 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.66 CC(C)NCc1cccs1 542111b118739a23c6a7d49f5267f947 [0,0,0,0,0,0|1,1,0]=2 35 B10R1.66 CC(C)NCc1ccn[nH]1 515d6f434333fe66751ea7427b8646d1 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.66 CC(C)NCc1ccno1 8048c2b4942dbf51099ed0a206f8f6e8 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.66 CC(C)NCc1ccns1 ed0eaa425454acad8002007a3281c2af [0,0,0,0,0,0|2,1,0]=3 38 B10R1.66 CC(C)NCc1ccoc1 9c3bf90c5e383bd61420059098037cce [0,0,0,0,0,0|3,0,0]=3 39 B10R1.66 CC(C)NCc1ccon1 8daf54982696fa7d8ee78a72637b714d [0,0,0,0,0,0|3,0,0]=3 40 B10R1.66 CC(C)NCc1ccsc1 2b46aa805fc411dd211b8b601290d377 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.66 CC(C)NCc1ccsn1 91c628ab6767bb61cb29892a23c692ac [0,0,0,0,0,0|3,0,0]=3 42 B10R1.66 CC(C)NCc1cn[nH]c1 2ccb9e4448dd5cb103e9ac2e98c4bb6b [0,0,0,0,0,0|4,0,0]=4 43 B10R1.66 CC(C)NCc1cnco1 efb9476d66687f153835d5c1b16a9ef7 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.66 CC(C)NCc1cnoc1 81310b06684291b30309997e1332c81f [0,0,0,0,0,0|4,0,0]=4 45 B10R1.66 CC(C)NCc1cnsc1 e6dc48e5bfb8fa5681741a96bc517e3f [0,0,0,0,0,0|4,0,0]=4 46 B10R1.66 CC(C)NCc1cocn1 3e73ea0e671b05fed02b627457e2107c [0,0,0,0,0,0|3,0,0]=3 47 B10R1.66 CC(C)NCc1cscn1 fdb4d7fae55eaddf7fbeb89a356bd12f [0,0,0,0,0,0|3,0,0]=3 48 B10R1.66 CC(C)NCc1ncc[nH]1 4299a22b825c9b1275194719cce87565 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.66 CC(C)NCc1ncco1 05025edf840bc375a3c3e26d0a96ccdf [0,0,0,0,0,0|2,0,0]=2 50 B10R1.66 CC(C)NCc1nccs1 7272277e9a113ee164cab07bdaebf83d [0,0,0,0,0,0|2,1,0]=3 51 B10R1.66 CC(C)NCc1ncn[nH]1 7c262cf5644371dc4e77560e0d664fc6 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.66 CC(C)OCC1=CCCC1 dce9071adb96386a977242dfea3b1445 [0,0,0,0,0,0|1,1,2]=4 53 B10R1.66 CC(C)OCC1C=CCC1 ce07ee621b4cc1693c6de76684649c29 [0,0,0,0,0,0|1,1,2]=4 54 B10R1.66 CC(C)OCC1CC=CC1 74a522795d44a3ed6ce284e5e8a264ed [0,0,0,0,0,0|1,1,2]=4 55 B10R1.66 CC(C)OCN1CC=CC1 e2e82b83be8313ac4e1cdb5b40ff3ec9 [0,0,0,0,0,0|2,1,1]=4 56 B10R1.66 CC(C)OCc1cc[nH]c1 a9c2c1df43af3abc4356f95c5822d5bb [0,0,0,0,0,0|2,1,0]=3 57 B10R1.66 CC(C)OCc1ccc[nH]1 4dddb07a03dc24f89786ddb418b6d01e [0,0,0,0,0,0|1,1,0]=2 58 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [0,0,0,0,0,0|0,1,0]=1 59 B10R1.66 CC(C)OCc1cccs1 3e503778417dd68d76dc700a03f16b0b [0,0,0,0,0,0|0,2,0]=2 60 B10R1.66 CC(C)OCc1ccn[nH]1 b380a3051bf7f84021622f110abdbabe [0,0,0,0,0,0|2,1,0]=3 61 B10R1.66 CC(C)OCc1ccno1 7aa10af430b7d91c055f89d0f51bdadf [0,0,0,0,0,0|1,1,0]=2 62 B10R1.66 CC(C)OCc1ccns1 974609377e43674cd300fd1034a4af96 [0,0,0,0,0,0|1,2,0]=3 63 B10R1.66 CC(C)OCc1ccon1 252132f0250b7632c0981147e582939e [0,0,0,0,0,0|2,1,0]=3 64 B10R1.66 CC(C)OCc1ccsc1 08ab63ccd9d7e1df75755ae18202bc9e [0,0,0,0,0,0|2,1,0]=3 65 B10R1.66 CC(C)OCc1ccsn1 8203d1b50ed6f4596857671d1947b0be [0,0,0,0,0,0|2,1,0]=3 66 B10R1.66 CC(C)OCc1cn[nH]c1 83a1ab7ef4fde617126ad07244d9dbd5 [0,0,0,0,0,0|3,1,0]=4 67 B10R1.66 CC(C)OCc1cnc[nH]1 bb1bf39c5bb5255371cc403ef1428dbd [0,0,0,0,0,0|2,1,0]=3 68 B10R1.66 CC(C)OCc1cnco1 781339a65a14a684e1aece08a96ac865 [0,0,0,0,0,0|1,1,0]=2 69 B10R1.66 CC(C)OCc1cnn[nH]1 839add2b6fdf82ac2f57c9a07f1052a1 [0,0,0,0,0,0|3,1,0]=4 70 B10R1.66 CC(C)OCc1cnoc1 8f718a2bca4df0afe562f39d9a3be52a [0,0,0,0,0,0|3,1,0]=4 71 B10R1.66 CC(C)OCc1cnsc1 a5ad94ba6a552d0a03e3c7e0661a8ad8 [0,0,0,0,0,0|3,1,0]=4 72 B10R1.66 CC(C)OCc1cnsn1 c6dc888f2ee3d26a1d7c950f7428ef78 [0,0,0,0,0,0|3,1,0]=4 73 B10R1.66 CC(C)OCc1cocn1 159fec773b3fafb15cd023271814549c [0,0,0,0,0,0|2,1,0]=3 74 B10R1.66 CC(C)OCc1cscn1 506db1ae3836bb33a279f7b4860243c2 [0,0,0,0,0,0|2,1,0]=3 75 B10R1.66 CC(C)OCc1csnn1 a9dd7b5285d7044d72714c6bb54f1ee5 [0,0,0,0,0,0|3,1,0]=4 76 B10R1.66 CC(C)OCc1nc[nH]n1 72cc08f548f5ab1caf60f921d8661d9e [0,0,0,0,0,0|3,1,0]=4 77 B10R1.66 CC(C)OCc1ncc[nH]1 4f8abc9f8226af879e8f8c9f739662cf [0,0,0,0,0,0|2,1,0]=3 78 B10R1.66 CC(C)OCc1ncco1 1190308edda12fa27f2bcbfd35f45044 [0,0,0,0,0,0|1,1,0]=2 79 B10R1.66 CC(C)OCc1nccs1 66f5cc0d46db91ea6d4f583edb5d25ae [0,0,0,0,0,0|1,2,0]=3 80 B10R1.66 CC(C)OCc1ncno1 4d4d401596a1104799b00fe0f76499c7 [0,0,0,0,0,0|2,1,0]=3 81 B10R1.66 CC(C)OCc1ncns1 68ce1dfcb97e1fa503286c1cdc153de6 [0,0,0,0,0,0|2,2,0]=4 82 B10R1.66 CC(C)OCc1ncon1 ab02c13eb323638c6f04569cd4938257 [0,0,0,0,0,0|3,1,0]=4 83 B10R1.66 CC(C)OCc1nnco1 7c606ea166cb73407ea44c84fc8774a6 [0,0,0,0,0,0|2,1,0]=3 84 B10R1.66 CC(C)OCn1cccn1 71731519586bcbca8a5b3b3e03dd9986 [0,0,0,0,0,0|2,1,0]=3 85 B10R1.66 CC(C)OCn1ccnc1 5f495f4a30ac7b64af53261dfd89d1bc [0,0,0,0,0,0|3,1,0]=4 86 B10R1.66 CC(C)OCn1cncn1 2b9f8acdcc470dc44ddce6e1adf673a4 [0,0,0,0,0,0|3,1,0]=4 87 B10R1.66 CC(C)OCn1nccn1 d918aa1ac0aa0bcab94def5d4f45236a [0,0,0,0,0,0|3,1,0]=4 88 B10R1.66 CC(O)CNc1cccs1 60380a00e499cd7119533a566202f141 [0,0,0,0,0,0|3,1,0]=4 89 B10R1.66 CC(O)CNc1ccno1 fc2cce262388ca7c62de70655fa7a177 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.66 CC(O)CNc1ncco1 af71533ef2de2cec8c8cad0a710fca7a [0,0,0,0,0,0|4,0,0]=4 91 B10R1.66 CN(C)CNc1cccs1 1db9893a6be0ea1f86189cedbd2651f7 [0,0,0,0,0,0|3,1,0]=4 92 B10R1.66 CN(C)CNc1ccno1 8de3b1c01c31b72d8995f566b9afc633 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.66 CN(C)CNc1ncco1 15d673d5888ecc222c6a630b5b5418eb [0,0,0,0,0,0|4,0,0]=4 94 B10R1.66 CN(C)COc1ccco1 c10f1087d88a829336b344ddc05de043 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.66 CN(C)COc1cccs1 472a5768d76a502b4b28d9b6da597a58 [0,0,0,0,0,0|3,1,0]=4 96 B10R1.66 C[C@@H](O)CNc1ccno1 f3d1a2517810a4c57fee3d52d5b1f63a [0,0,0,0,0,0|4,0,0]=4 97 B10R1.66 C[C@H](O)CNc1cccs1 50770c2e03ac9b3dc06cb895694b0084 [0,0,0,0,0,0|3,1,0]=4 98 B10R1.66 C[C@H](O)CNc1ccno1 b567b272d6456f38b0c757b753177355 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.66 C[C@H](O)CNc1ncco1 569a0fbf6aed9f8a7593b5734237721d [0,0,0,0,0,0|4,0,0]=4 100 B10R1.66 FC(F)COc1ccco1 6214124183545eb6ba23a3439c8fd392 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [1,0,0,0,0,0|2,1,0]=4 102 B9R1.12 CCCNc1ccno1 278a41485c96cdfca06fb5ac2f62c14e [1,0,0,0,0,0|3,0,0]=4 103 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [1,0,0,0,0,0|2,1,0]=4 106 B9R1.12 CCNCc1cc[nH]c1 5f34bb16d580f8126d210a7f1c922122 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [1,0,0,0,0,0|2,0,0]=3 108 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,0,0,0,0,0|1,1,0]=3 110 B9R1.12 CCNCc1ccn[nH]1 8d84ae57d6fc6c4a664fbe3966ca8383 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.12 CCNCc1ccno1 e3d071a4a6a6b5a56e413f5bc114cce7 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.12 CCNCc1ccns1 53d19f3606d2c7046c29db26540fcc72 [1,0,0,0,0,0|2,1,0]=4 113 B9R1.12 CCNCc1ccoc1 790b339bd93664fda272fb5f895d2be9 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.12 CCNCc1ccon1 76008202c967d53995dbdd46c4b0b05b [1,0,0,0,0,0|3,0,0]=4 115 B9R1.12 CCNCc1ccsc1 8d2a00279cff0e97c4d4139ed8f7ead4 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.12 CCNCc1ccsn1 c640c32a57f58f85269acc4cf13e08dd [1,0,0,0,0,0|3,0,0]=4 117 B9R1.12 CCNCc1cnco1 1035caf61cdb047204144eeeaf71318d [1,0,0,0,0,0|2,0,0]=3 118 B9R1.12 CCNCc1cncs1 766ca9698d87ebdd1f3395f38204ee85 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.12 CCNCc1cocn1 ee5152002bd65a9d43431c8076f0a4d3 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.12 CCNCc1cscn1 6ac8fdacb085e4e7af5e2a744e0781a5 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.12 CCNCc1ncc[nH]1 80bb75fd4db514b30cbb9decd5220667 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [1,0,0,0,0,0|2,0,0]=3 123 B9R1.12 CCNCc1nccs1 526a03e98732df2789dd97318edaafd6 [1,0,0,0,0,0|2,1,0]=4 124 B9R1.12 CCOCc1cc[nH]c1 59d617c736c503e8fe59f893e6c21bac [1,0,0,0,0,0|2,1,0]=4 125 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [1,0,0,0,0,0|1,1,0]=3 126 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,0,0,0,0,0|0,1,0]=2 127 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,0,0,0,0,0|0,2,0]=3 128 B9R1.12 CCOCc1ccn[nH]1 d7f28e0a081f68ec795d8d4391069dd7 [1,0,0,0,0,0|2,1,0]=4 129 B9R1.12 CCOCc1ccno1 68fd73c165a46ff5a6360ea6e6f9c37e [1,0,0,0,0,0|1,1,0]=3 130 B9R1.12 CCOCc1ccns1 01d522fece72fce5cf6b304cfc953d98 [1,0,0,0,0,0|1,2,0]=4 131 B9R1.12 CCOCc1ccon1 c3dd8303abc344854e3a20eb862deac2 [1,0,0,0,0,0|2,1,0]=4 132 B9R1.12 CCOCc1ccsc1 386d4e7246ff291707b3e218c5edbe51 [1,0,0,0,0,0|2,1,0]=4 133 B9R1.12 CCOCc1ccsn1 85325b8df299b4348765c5ae4f3bbc2a [1,0,0,0,0,0|2,1,0]=4 134 B9R1.12 CCOCc1cnc[nH]1 9627bc2d6cb500602677f06a6a7d9bf4 [1,0,0,0,0,0|2,1,0]=4 135 B9R1.12 CCOCc1cnco1 682660b9b5fafc169b6b4f8ad83fea44 [1,0,0,0,0,0|1,1,0]=3 136 B9R1.12 CCOCc1cncs1 8515774c41cb1b7c89894f4d4fd2f475 [1,0,0,0,0,0|1,2,0]=4 137 B9R1.12 CCOCc1cocn1 8d5c6b8af6fe755487d9214435b13700 [1,0,0,0,0,0|2,1,0]=4 138 B9R1.12 CCOCc1cscn1 77c64af51f4fa6cafcbef73604cf106e [1,0,0,0,0,0|2,1,0]=4 139 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [1,0,0,0,0,0|2,1,0]=4 140 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [1,0,0,0,0,0|1,1,0]=3 141 B9R1.12 CCOCc1nccs1 42a4ef0c68f9f4ccf7685ffa2d58e68a [1,0,0,0,0,0|1,2,0]=4 142 B9R1.12 CCOCc1ncno1 8d655f7a5ef9265f987e9df722e5651d [1,0,0,0,0,0|2,1,0]=4 143 B9R1.12 CCOCc1nnco1 3cbc316232cad985ae2ba8645ef2d50e [1,0,0,0,0,0|2,1,0]=4 144 B9R1.12 CCOCn1cccn1 75e33447e70b4a19050f65c31ed6077f [1,0,0,0,0,0|2,1,0]=4 145 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.12 FCNCc1ccc[nH]1 b8209f67d0b6dbcebbd0297bb2e6b7c8 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [1,0,0,0,0,0|2,0,0]=3 150 B9R1.12 FCNCc1cccs1 1969e67372fdc757bbfda3428419fdb3 [1,0,0,0,0,0|2,1,0]=4 151 B9R1.12 FCNCc1ccno1 6becd9ac5248ebe74a06560fa2878f05 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.12 FCNCc1cnco1 cf86c8bb9bd895bc4ce3c992d4d2142e [1,0,0,0,0,0|3,0,0]=4 153 B9R1.12 FCNCc1ncco1 c982d0b49f405e63c027b9bb6d5577c4 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.12 FCOCc1ccc[nH]1 f8b57ee506260fbcaafed00f685542b2 [1,0,0,0,0,0|2,1,0]=4 155 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [1,0,0,0,0,0|1,1,0]=3 156 B9R1.12 FCOCc1cccs1 d20aa0b5d32f374e73f69643d763b140 [1,0,0,0,0,0|1,2,0]=4 157 B9R1.12 FCOCc1ccno1 aefc8c45c011887243be775781e8f9e1 [1,0,0,0,0,0|2,1,0]=4 158 B9R1.12 FCOCc1cnco1 a420d70118564f414ea32375d2dd9975 [1,0,0,0,0,0|2,1,0]=4 159 B9R1.12 FCOCc1ncco1 fdb0645c6d8826990df411edb2fa5eb8 [1,0,0,0,0,0|2,1,0]=4 160 B9R1.12 N#CNCc1ccco1 4a29a0cee61f6ca4469fdc18ecac181f [1,0,0,0,0,0|2,0,1]=4 161 B9R1.12 O=CNCc1ccco1 500b938a7f3d3a911f6dbf809f17e808 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [1,0,0,0,0,0|3,0,0]=4 163 B9R1.12 OCNCc1ccc[nH]1 b011ce93b48fe889bae376897837b402 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.12 OCNCc1cccs1 2d672a9efcaba2b89f20e3b8a4fffaa8 [1,0,0,0,0,0|2,1,0]=4 166 B9R1.12 OCNCc1ccno1 5ee1390985394a1ac47e98b34aaa079d [1,0,0,0,0,0|3,0,0]=4 167 B9R1.12 OCNCc1cnco1 ff41cd25219a84912d0d2df0441c6a9f [1,0,0,0,0,0|3,0,0]=4 168 B9R1.12 OCNCc1ncco1 6863cdccabe755ed920c5ddc5155c6b9 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [1,0,0,0,0,0|3,0,0]=4 170 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [1,0,0,0,0,0|3,0,0]=4 171 B11R1.25 BrCC(Br)CNc1ccco1 2fbcd6d811cfd65f76244ad34955fb3c [0,1,0,0,0,0|3,0,0]=4 172 B11R1.25 C#CC(C)NCc1ccc[nH]1 b999a788dc33a6d660402c00c7056223 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.25 C#CC(C)NCc1ccco1 0c78173dc55d1cacab0d7b766e528b77 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.25 C#CC(C)NCc1cccs1 8cebb526e3b20ba11c7a0b5d414adf5e [0,1,0,0,0,0|1,1,1]=4 175 B11R1.25 C#CC(C)NCc1ccno1 6dcd16e2892c9076de1fbe8139596348 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.25 C#CC(C)NCc1ncco1 9f70db2a1731b6594455d91290cd9733 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.25 C#CC(C)OCc1ccc[nH]1 54cec85861084958346e541130001537 [0,1,0,0,0,0|1,1,1]=4 178 B11R1.25 C#CC(C)OCc1ccco1 87c7710414e7042aedcd76d47a657537 [0,1,0,0,0,0|0,1,1]=3 179 B11R1.25 C#CC(C)OCc1cccs1 3ff098cbee8afa61ae1ac02d47c0dc0f [0,1,0,0,0,0|0,2,1]=4 180 B11R1.25 C#CC(C)OCc1ccno1 38f4fa99879b83cf27c2d3e0cde92dbe [0,1,0,0,0,0|1,1,1]=4 181 B11R1.25 C#CC(C)OCc1ncco1 5bf7b8fff73b9dd5cca18e3cbff06635 [0,1,0,0,0,0|1,1,1]=4 182 B11R1.25 C#C[C@@H](C)NCc1ccco1 8ee2af49e18acd6351140a60399b99d6 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.25 C#C[C@@H](C)NCc1cccs1 1b333a4086f609e3e70bfa19d5250971 [0,1,0,0,0,0|1,1,1]=4 184 B11R1.25 C#C[C@@H](C)NCc1ccno1 4744d75f1e01d385c3e9905fe3f18472 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.25 C#C[C@@H](C)NCc1ncco1 6687ba696482b48a6a40d9490f533055 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.25 C#C[C@@H](C)OCc1ccco1 a07315369afedd816b332f25d0ec6e51 [0,1,0,0,0,0|0,1,1]=3 187 B11R1.25 C#C[C@@H](C)OCc1cccs1 92185deabe02886c9aa4cd23dbdbb774 [0,1,0,0,0,0|0,2,1]=4 188 B11R1.25 C#C[C@@H](C)OCc1ccno1 4c77d52accf6a58a4d32d100a789950b [0,1,0,0,0,0|1,1,1]=4 189 B11R1.25 C#C[C@@H](C)OCc1ncco1 c407f63caa455d88a91f4e3603d32718 [0,1,0,0,0,0|1,1,1]=4 190 B11R1.25 C#C[C@H](C)NCc1ccco1 cedf5f99927cd7769dcaac246b678b46 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.25 C#C[C@H](C)NCc1cccs1 ec28d5fa4f5d24f5526aed6fe3dd738e [0,1,0,0,0,0|1,1,1]=4 192 B11R1.25 C#C[C@H](C)NCc1ccno1 6ab07fd192dae35682aa391d70358079 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.25 C#C[C@H](C)NCc1ncco1 04b0df3149f59dbee385012906e76391 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.25 C#C[C@H](C)OCc1ccco1 7da392aa09b76585a733a644864632b0 [0,1,0,0,0,0|0,1,1]=3 195 B11R1.25 C#C[C@H](C)OCc1cccs1 5f306ec969254d5b928e4b8ed912231b [0,1,0,0,0,0|0,2,1]=4 196 B11R1.25 C#C[C@H](C)OCc1ccno1 b0fab11e2fc811e056478bb8bf3ada00 [0,1,0,0,0,0|1,1,1]=4 197 B11R1.25 C#C[C@H](C)OCc1ncco1 7491928c93746804bbf77ed5e068cf14 [0,1,0,0,0,0|1,1,1]=4 198 B11R1.25 C=CC(C)NCc1ccc[nH]1 8a838ab09d01fc04c138c141fd69082b [0,1,0,0,0,0|2,0,1]=4 199 B11R1.25 C=CC(C)NCc1ccco1 70cbfe9701e2df3ead85af2ea011223c [0,1,0,0,0,0|1,0,1]=3 200 B11R1.25 C=CC(C)NCc1cccs1 29acef9e64e95102290767c89611555b [0,1,0,0,0,0|1,1,1]=4 201 B11R1.25 C=CC(C)NCc1ccno1 ac39a1a34628b57671d8ef5b91fdd872 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.25 C=CC(C)NCc1cnco1 74ee3e2c39410cf8dba7af2bf50af6f7 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.25 C=CC(C)NCc1ncco1 8b87837db384717dd76e5054b88c6296 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.25 C=CC(C)OCc1ccc[nH]1 0bd0bdb8ab859ab1920e5c1f0cf27576 [0,1,0,0,0,0|1,1,1]=4 205 B11R1.25 C=CC(C)OCc1ccco1 6f8c46a49552c5e29e7b8018db9931e7 [0,1,0,0,0,0|0,1,1]=3 206 B11R1.25 C=CC(C)OCc1cccs1 42e1110c1385a33bf20e6388c19b7122 [0,1,0,0,0,0|0,2,1]=4 207 B11R1.25 C=CC(C)OCc1ccno1 8e06b67e5818b4e4f4fe8b7d7fae1865 [0,1,0,0,0,0|1,1,1]=4 208 B11R1.25 C=CC(C)OCc1cnco1 b4411bc3635d66d5d41819072202b0e8 [0,1,0,0,0,0|1,1,1]=4 209 B11R1.25 C=CC(C)OCc1ncco1 cee75fb0e57a4cfeedf559a34ffc727c [0,1,0,0,0,0|1,1,1]=4 210 B11R1.25 C=C[C@H](C)OCc1ccco1 d604a40f94494274db2b4cd86ad08ce7 [0,1,0,0,0,0|0,1,1]=3 211 B11R1.25 C=C[C@H](C)OCc1cccs1 09ab87c351bd6e3abf30aed6b27e17bf [0,1,0,0,0,0|0,2,1]=4 212 B11R1.25 C=C[C@H](C)OCc1ccno1 c58ef64c1d6bf5018a1bcffa44e89288 [0,1,0,0,0,0|1,1,1]=4 213 B11R1.25 C=C[C@H](C)OCc1cnco1 8d4a6f4b31fe08df3e14996ad2f63a81 [0,1,0,0,0,0|1,1,1]=4 214 B11R1.25 C=C[C@H](C)OCc1ncco1 a11649afdccc104a751264ff60e963f5 [0,1,0,0,0,0|1,1,1]=4 215 B11R1.25 CC(C#N)COc1ccco1 7d592ccaa148820bada96ca0d97a2983 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.25 CC(C#N)NCc1ccc[nH]1 4e21a9b2ff75df21440cc170d460da00 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.25 CC(C#N)NCc1ccco1 faed7e342921344337d95550d424b482 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.25 CC(C#N)NCc1cccs1 0a5d38119f42345a4c9ccf13d621d513 [0,1,0,0,0,0|1,1,1]=4 219 B11R1.25 CC(C#N)NCc1ccno1 9d849968e665116451f8b1253c7153fa [0,1,0,0,0,0|2,0,1]=4 220 B11R1.25 CC(C#N)NCc1ncco1 785f67c3cb0fce95351b51d016aa00df [0,1,0,0,0,0|2,0,1]=4 221 B11R1.25 CC(C#N)OCc1ccc[nH]1 73b168be10f78cd302d029d81e393a08 [0,1,0,0,0,0|1,1,1]=4 222 B11R1.25 CC(C=O)NCc1ccc[nH]1 5db4e89fead4887e4d499882f658aa91 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.25 CC(C=O)NCc1ccco1 8ea485d4b6d1c57031030ef36dfb5983 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.25 CC(C=O)NCc1cccs1 6368b189b8ed1ed2464ffdb622d1444f [0,1,0,0,0,0|1,1,1]=4 225 B11R1.25 CC(C=O)NCc1ccno1 cd4ea3f459349b696ec95de0693b0108 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.25 CC(C=O)NCc1cnco1 f587ea8a3ce099218178fac55f42f46d [0,1,0,0,0,0|2,0,1]=4 227 B11R1.25 CC(C=O)NCc1ncco1 d2260ccfef700d4fabb919c883efc4fd [0,1,0,0,0,0|2,0,1]=4 228 B11R1.25 CC(C=O)OCc1ccc[nH]1 8844092793f0a6bf7ad64ce6452d4b62 [0,1,0,0,0,0|1,1,1]=4 229 B11R1.25 CC(C=O)OCc1ccco1 710611fcec921a10f65607f72aaacd05 [0,1,0,0,0,0|0,1,1]=3 230 B11R1.25 CC(C=O)OCc1cccs1 e2f1f17fd0c90954e0e29f101f0ec90e [0,1,0,0,0,0|0,2,1]=4 231 B11R1.25 CC(C=O)OCc1ccno1 ceb711e58d1d12fffb331a0031fbd0b0 [0,1,0,0,0,0|1,1,1]=4 232 B11R1.25 CC(C=O)OCc1cnco1 7bbdae3be049af24516accbe022c3eeb [0,1,0,0,0,0|1,1,1]=4 233 B11R1.25 CC(C=O)OCc1ncco1 19a9fe06438eb321dc2405837b46d530 [0,1,0,0,0,0|1,1,1]=4 234 B11R1.25 CC(CF)OCc1ccco1 7a6c9d5edc9a65d3a477e45540cf06b6 [0,1,0,0,0,0|0,1,0]=2 235 B11R1.25 CC(CF)OCc1cccs1 c61d4203ee490fd4ec0504a095cf3419 [0,1,0,0,0,0|0,2,0]=3 236 B11R1.25 CC(CF)OCc1ccno1 dab3ef7b074388b4c08493c10e72d155 [0,1,0,0,0,0|1,1,0]=3 237 B11R1.25 CC(CF)OCc1ccon1 5f4222b248dcbf91fff1fc8bef2d74da [0,1,0,0,0,0|2,1,0]=4 238 B11R1.25 CC(CF)OCc1ccsc1 3d5721e2e55e32c72e1ebcdffe69b54b [0,1,0,0,0,0|2,1,0]=4 239 B11R1.25 CC(CF)OCc1cocn1 2205469c4d0e33f604dd0d07ecea38d6 [0,1,0,0,0,0|2,1,0]=4 240 B11R1.25 CC(CF)OCc1cscn1 61703ab9dc69368c49dc10da76b93dd0 [0,1,0,0,0,0|2,1,0]=4 241 B11R1.25 CC(CF)OCc1ncc[nH]1 7e1cff001472387c9af5964352be9ce8 [0,1,0,0,0,0|2,1,0]=4 242 B11R1.25 CC(CF)OCc1ncco1 e642e6dae7fc83073a20c58077a050f3 [0,1,0,0,0,0|1,1,0]=3 243 B11R1.25 CC(CF)OCc1nccs1 91fa03453022e436048a4b410e626c36 [0,1,0,0,0,0|1,2,0]=4 244 B11R1.25 CC(CF)OCc1nnco1 6ab3f987d6de702094de4cf18ab464c0 [0,1,0,0,0,0|2,1,0]=4 245 B11R1.25 CC(CO)CNc1ccco1 71d7f730861dec4d36bae70874e1302c [0,1,0,0,0,0|2,0,0]=3 246 B11R1.25 CC(CO)CNc1cccs1 7d154d13e493f7700e0144525fd94345 [0,1,0,0,0,0|2,1,0]=4 247 B11R1.25 CC(CO)CNc1ccno1 645a78a3b2fce7c3e28f13ca3df9b4d5 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.25 CC(CO)CNc1ncco1 3a9641478a5f1ffdf761327ca0a9aaab [0,1,0,0,0,0|3,0,0]=4 249 B11R1.25 CC(CO)NCc1cc[nH]c1 877ba2184a0c7d8eb73e144ae5917dae [0,1,0,0,0,0|3,0,0]=4 250 B11R1.25 CC(CO)NCc1ccc[nH]1 3badc24526bcc1179321e6501359d917 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.25 CC(CO)NCc1ccco1 e11a1dcc997402b9ca10ebd6c1d728d8 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.25 CC(CO)NCc1cccs1 00a9c9f16ef261f122a5837659fa4e9f [0,1,0,0,0,0|1,1,0]=3 253 B11R1.25 CC(CO)NCc1ccn[nH]1 77988a41c220292c863377b1d62c8c6e [0,1,0,0,0,0|3,0,0]=4 254 B11R1.25 CC(CO)NCc1ccno1 45b880d36babe245a6232eb084b35348 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.25 CC(CO)NCc1ccns1 412679218e4c8125dd1431b212c9ca36 [0,1,0,0,0,0|2,1,0]=4 256 B11R1.25 CC(CO)NCc1ccoc1 e6df631b5f401ce02b113655fd204a1b [0,1,0,0,0,0|3,0,0]=4 257 B11R1.25 CC(CO)NCc1ccon1 0b3093276f90ee9f8a88b4ea9815ab0e [0,1,0,0,0,0|3,0,0]=4 258 B11R1.25 CC(CO)NCc1ccsc1 d2434e6f52dabfae333338bcfa32ddbe [0,1,0,0,0,0|3,0,0]=4 259 B11R1.25 CC(CO)NCc1ccsn1 8f0fbbd1f366067e076cefabe5b4805a [0,1,0,0,0,0|3,0,0]=4 260 B11R1.25 CC(CO)NCc1cnc[nH]1 671b70effe839a480e12b63597be77a8 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.25 CC(CO)NCc1cnco1 17c92db79c01ad575edc750622b82906 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.25 CC(CO)NCc1cncs1 a9df46abdbdb3acb3379aee2e613de97 [0,1,0,0,0,0|2,1,0]=4 263 B11R1.25 CC(CO)NCc1cocn1 a32716da7cdfb9adde202f846bd83bde [0,1,0,0,0,0|3,0,0]=4 264 B11R1.25 CC(CO)NCc1cscn1 3127dba016b007a87a9467ccb7998d03 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.25 CC(CO)NCc1ncc[nH]1 0e17b0a3cad2c48521713c9efa2d9199 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.25 CC(CO)NCc1ncco1 0f12ab6bcd2e57fc529e71772d7fca21 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.25 CC(CO)NCc1nccs1 fed0ec5f970007701b5b0e2a83a855ad [0,1,0,0,0,0|2,1,0]=4 268 B11R1.25 CC(CO)NCc1nnco1 f8271d30545b96902333e4b59232be6b [0,1,0,0,0,0|3,0,0]=4 269 B11R1.25 CC(CS)OCc1cccs1 faf25675285219dbed4aac1af10ed644 [0,1,0,0,0,0|0,2,0]=3 270 B11R1.25 CC(CS)OCc1ccno1 16dcb10e4ea9c8d0dc78d4330fea44d6 [0,1,0,0,0,0|1,1,0]=3 271 B11R1.25 CC(CS)OCc1ccon1 ff25ce81721b4309a387c31ebb39ba59 [0,1,0,0,0,0|2,1,0]=4 272 B11R1.25 CC(CS)OCc1ccsc1 36ed2ff5c4bde839075abfb5e571e39d [0,1,0,0,0,0|2,1,0]=4 273 B11R1.25 CC(CS)OCc1cnc[nH]1 91a885cac996f3721355f26b4613cbad [0,1,0,0,0,0|2,1,0]=4 274 B11R1.25 CC(CS)OCc1cocn1 06ad107a8c2b7a095d18b60b556a6190 [0,1,0,0,0,0|2,1,0]=4 275 B11R1.25 CC(CS)OCc1cscn1 860bf724c487bc8570898508293cc7ed [0,1,0,0,0,0|2,1,0]=4 276 B11R1.25 CC(CS)OCc1ncc[nH]1 dc65a61d9c30709cf7f151ac8025ba3f [0,1,0,0,0,0|2,1,0]=4 277 B11R1.25 CC(CS)OCc1ncco1 78a76b74690e38c6b7dc30d4420f0067 [0,1,0,0,0,0|1,1,0]=3 278 B11R1.25 CC(CS)OCc1nccs1 72d36a724e0d8aaeea3ac496cf3d0126 [0,1,0,0,0,0|1,2,0]=4 279 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.25 CCC(C)CNc1cccs1 719002605602d496bf65e7aa6778850d [0,1,0,0,0,0|2,1,0]=4 281 B11R1.25 CCC(C)CNc1ccno1 3515df0d2b01ace6ce08c1cadc4e8aa4 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.25 CCC(C)CNc1ncco1 9bff6017d9e131868149393a9636320f [0,1,0,0,0,0|3,0,0]=4 283 B11R1.25 CCC(C)COc1ccco1 82daf9b75022db52f0e1a8a1ed2263d3 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.25 CCC(C)COc1cccs1 22937857e8dff98d6437b2766e53db72 [0,1,0,0,0,0|2,1,0]=4 285 B11R1.25 CCC(C)NCc1cc[nH]c1 9ef07b394785f8d116e3feed59914c1f [0,1,0,0,0,0|3,0,0]=4 286 B11R1.25 CCC(C)NCc1ccc[nH]1 dfe1641eb23b0efdceb0290726a654e3 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.25 CCC(C)NCc1ccco1 5f8142dfde0b789474d1611a11bd8a03 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.25 CCC(C)NCc1cccs1 f4bcf10ac56668adcfee83149ad55330 [0,1,0,0,0,0|1,1,0]=3 289 B11R1.25 CCC(C)NCc1ccn[nH]1 5af8248065613ae714ef740288f5d9e3 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.25 CCC(C)NCc1ccno1 6b7721dd1e3e3e0433bff1ba6836da4d [0,1,0,0,0,0|2,0,0]=3 291 B11R1.25 CCC(C)NCc1ccns1 6e12222a8c95c70020a02e67a80bb564 [0,1,0,0,0,0|2,1,0]=4 292 B11R1.25 CCC(C)NCc1ccoc1 8c02b655539c9007d5e8f97ef5952ea6 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.25 CCC(C)NCc1ccon1 f0ba1b7fec8685c635a1841aa831e5bf [0,1,0,0,0,0|3,0,0]=4 294 B11R1.25 CCC(C)NCc1ccsc1 071312636f13f6094e29f49c4b6d97b8 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.25 CCC(C)NCc1ccsn1 1bd61f6799ec35faa528b337bf63363f [0,1,0,0,0,0|3,0,0]=4 296 B11R1.25 CCC(C)NCc1cnc[nH]1 afcf16146b7e36158d5ac62a366e61f1 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.25 CCC(C)NCc1cnco1 90f8b858aeacae23aced9963d5c562ea [0,1,0,0,0,0|2,0,0]=3 298 B11R1.25 CCC(C)NCc1cocn1 95653cfc38046df4c595d9332be3f888 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.25 CCC(C)NCc1cscn1 3f36e14eb8acb2a3868067189729c57a [0,1,0,0,0,0|3,0,0]=4 300 B11R1.25 CCC(C)NCc1ncc[nH]1 231b7801e3e25e1e656d75e8148ead7a [0,1,0,0,0,0|3,0,0]=4 301 B11R1.25 CCC(C)NCc1ncco1 b2a3e5f302e72b4baaa7fa833eb43a6d [0,1,0,0,0,0|2,0,0]=3 302 B11R1.25 CCC(C)NCc1nccs1 f1806a38612384d531431fbb92493421 [0,1,0,0,0,0|2,1,0]=4 303 B11R1.25 CCC(C)OCc1cc[nH]c1 8f3f6052fcdb822b3d965a714d3b9aad [0,1,0,0,0,0|2,1,0]=4 304 B11R1.25 CCC(C)OCc1ccc[nH]1 9704405f8dd480f3861820e81be98d46 [0,1,0,0,0,0|1,1,0]=3 305 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [0,1,0,0,0,0|0,1,0]=2 306 B11R1.25 CCC(C)OCc1cccs1 ed5b0e54c3ce9b4fbd0e1c89d3109802 [0,1,0,0,0,0|0,2,0]=3 307 B11R1.25 CCC(C)OCc1ccn[nH]1 3c78b7be05a41fad9b48320ae116ace1 [0,1,0,0,0,0|2,1,0]=4 308 B11R1.25 CCC(C)OCc1ccno1 94fcccb7febe293d68cfe16855adf0fd [0,1,0,0,0,0|1,1,0]=3 309 B11R1.25 CCC(C)OCc1ccns1 d78e9793cedc92ec4cb25aae9f2419d2 [0,1,0,0,0,0|1,2,0]=4 310 B11R1.25 CCC(C)OCc1ccon1 32a6519a8830b341843518eb0942c06a [0,1,0,0,0,0|2,1,0]=4 311 B11R1.25 CCC(C)OCc1ccsc1 9f2e6bf6ffce700beda1cd6b46d3b590 [0,1,0,0,0,0|2,1,0]=4 312 B11R1.25 CCC(C)OCc1ccsn1 325fa044018c01cd3b301301402dcb69 [0,1,0,0,0,0|2,1,0]=4 313 B11R1.25 CCC(C)OCc1cnc[nH]1 cc123ddf4075e08e9c713deab73d32f3 [0,1,0,0,0,0|2,1,0]=4 314 B11R1.25 CCC(C)OCc1cnco1 059c8f478f925dc69280728cc4c60315 [0,1,0,0,0,0|1,1,0]=3 315 B11R1.25 CCC(C)OCc1cocn1 76d0ce33b3982f6b55613b2bad799bba [0,1,0,0,0,0|2,1,0]=4 316 B11R1.25 CCC(C)OCc1cscn1 0614ad1eb89bf66a4d97c59a7d0987f1 [0,1,0,0,0,0|2,1,0]=4 317 B11R1.25 CCC(C)OCc1ncc[nH]1 39447ce50b3391ec5951144939042b20 [0,1,0,0,0,0|2,1,0]=4 318 B11R1.25 CCC(C)OCc1ncco1 904158ce6bcd0097d4f0ca8fee5a984d [0,1,0,0,0,0|1,1,0]=3 319 B11R1.25 CCC(C)OCc1nccs1 d5b27e792ce284504f9f4dced85178ec [0,1,0,0,0,0|1,2,0]=4 320 B11R1.25 CCC(C)OCc1ncno1 0695d31cad36c1278d6bd360bda15f09 [0,1,0,0,0,0|2,1,0]=4 321 B11R1.25 CCC(C)OCc1nnco1 46fa92df38ef550a6bb1a1c1fcbf46bd [0,1,0,0,0,0|2,1,0]=4 322 B11R1.25 CCC(C)OCn1cccn1 e9eef6f41ed2720c01b6aaec2fb015b0 [0,1,0,0,0,0|2,1,0]=4 323 B11R1.25 CCN(C)CCc1cccs1 ba1df1d99619458f39bdb79d38c399fb [0,1,0,0,0,0|2,1,0]=4 324 B11R1.25 CC[C@@H](C)CNc1cccs1 f88bb69c6e9f83a12f594a06fdf66307 [0,1,0,0,0,0|2,1,0]=4 325 B11R1.25 CC[C@@H](C)CNc1ccno1 825c423f1286c93d9e043adba244ddc6 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.25 CC[C@@H](C)CNc1ncco1 27405b8857f0fa342cdba4ca8b725aad [0,1,0,0,0,0|3,0,0]=4 327 B11R1.25 CC[C@@H](C)COc1ccco1 fe756872e20a8d4589f7190b98a97cbb [0,1,0,0,0,0|2,0,0]=3 328 B11R1.25 CC[C@@H](C)COc1cccs1 a8a82373e9b283f8c47ede5693410289 [0,1,0,0,0,0|2,1,0]=4 329 B11R1.25 CC[C@@H](C)NCc1cccs1 176e8bf973939cacbab0c9f61c945a33 [0,1,0,0,0,0|1,1,0]=3 330 B11R1.25 CC[C@@H](C)NCc1ccno1 ab9839e4d0b66cc90181dc4b2bbd4ecd [0,1,0,0,0,0|2,0,0]=3 331 B11R1.25 CC[C@@H](C)NCc1ccon1 7c194756c2d4b22893e5255ce3ae51df [0,1,0,0,0,0|3,0,0]=4 332 B11R1.25 CC[C@@H](C)NCc1ccsc1 23e937cab11f6f1e01ec241e5cabd389 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.25 CC[C@@H](C)NCc1cnc[nH]1 3772e2678a12e095162cf48dee691b8c [0,1,0,0,0,0|3,0,0]=4 334 B11R1.25 CC[C@@H](C)NCc1cocn1 4d1e2f4a41b28f69f764c2b35178e560 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.25 CC[C@@H](C)NCc1cscn1 bc8ebedea57c41ec98f92548173bf5a6 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.25 CC[C@@H](C)NCc1ncc[nH]1 40dfb055566880d8936bdd2397f2510d [0,1,0,0,0,0|3,0,0]=4 337 B11R1.25 CC[C@@H](C)NCc1ncco1 bf3cc43e5d4513b5b816d55d67b8664e [0,1,0,0,0,0|2,0,0]=3 338 B11R1.25 CC[C@@H](C)NCc1nccs1 3696c22674463bf4a1fc394b63b8e0e2 [0,1,0,0,0,0|2,1,0]=4 339 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [0,1,0,0,0,0|0,1,0]=2 340 B11R1.25 CC[C@@H](C)OCc1cccs1 3647e5c786191fbccae15396ed3cbc17 [0,1,0,0,0,0|0,2,0]=3 341 B11R1.25 CC[C@@H](C)OCc1ccno1 e9aa7ca8f00eb8584079f6748a3aa810 [0,1,0,0,0,0|1,1,0]=3 342 B11R1.25 CC[C@@H](C)OCc1ccon1 f479e4939879d806b3bee6c276beeac7 [0,1,0,0,0,0|2,1,0]=4 343 B11R1.25 CC[C@@H](C)OCc1ccsc1 87d13b0324c22f47d422c68cae09d978 [0,1,0,0,0,0|2,1,0]=4 344 B11R1.25 CC[C@@H](C)OCc1cocn1 a3334214bcbdbcee0a28a0043a3b6704 [0,1,0,0,0,0|2,1,0]=4 345 B11R1.25 CC[C@@H](C)OCc1cscn1 79ca41c10e3826388b2ad4e16031242f [0,1,0,0,0,0|2,1,0]=4 346 B11R1.25 CC[C@@H](C)OCc1ncc[nH]1 f832afe3d0883dca96404e072f71257c [0,1,0,0,0,0|2,1,0]=4 347 B11R1.25 CC[C@@H](C)OCc1ncco1 a31617493743d569d00eac329d66c5a7 [0,1,0,0,0,0|1,1,0]=3 348 B11R1.25 CC[C@@H](C)OCc1nccs1 b635d6b73497b300b93deccd1879dff5 [0,1,0,0,0,0|1,2,0]=4 349 B11R1.25 CC[C@@H](C)OCc1nnco1 6f60f96221593eb43956d79551d8ffad [0,1,0,0,0,0|2,1,0]=4 350 B11R1.25 CC[C@H](C)CNc1cccs1 528b0369c1a80c82b116b99478794ea0 [0,1,0,0,0,0|2,1,0]=4 351 B11R1.25 CC[C@H](C)CNc1ccno1 0cbcc2c829e154c2a9c9cdef8e9db895 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.25 CC[C@H](C)CNc1ncco1 d706acc2b66dd572d8d748bd2230e850 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 CC[C@H](C)COc1ccco1 350557fd898c2c60bb4ffc046ace81ec [0,1,0,0,0,0|2,0,0]=3 354 B11R1.25 CC[C@H](C)COc1cccs1 a1cf12afbd0571b4289f48578ecfad7c [0,1,0,0,0,0|2,1,0]=4 355 B11R1.25 CC[C@H](C)NCc1cccs1 cc8e2cf48d22633247d559ee5b10c832 [0,1,0,0,0,0|1,1,0]=3 356 B11R1.25 CC[C@H](C)NCc1ccno1 adb88b7e94f1d6acd9c7822be912701d [0,1,0,0,0,0|2,0,0]=3 357 B11R1.25 CC[C@H](C)NCc1ccon1 01da349bff64e08285e9934d70833776 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.25 CC[C@H](C)NCc1ccsc1 6a0a804c53358ae48257d4de0aa8174d [0,1,0,0,0,0|3,0,0]=4 359 B11R1.25 CC[C@H](C)NCc1cnc[nH]1 b0bbe75cb2d204c31af639b6bc3755b8 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.25 CC[C@H](C)NCc1cocn1 3d6dea379e0d08202473245169db556d [0,1,0,0,0,0|3,0,0]=4 361 B11R1.25 CC[C@H](C)NCc1cscn1 7c1ff44812c2b9f5f2e5b8a18da39124 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.25 CC[C@H](C)NCc1ncc[nH]1 e63d9b904ec8dfb1fe1ce445c10d7a2d [0,1,0,0,0,0|3,0,0]=4 363 B11R1.25 CC[C@H](C)NCc1ncco1 5fac855b5b0c1bc33b4cf33f54d7dc74 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.25 CC[C@H](C)NCc1nccs1 8f56052b04c82fa642a57b186989db05 [0,1,0,0,0,0|2,1,0]=4 365 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [0,1,0,0,0,0|0,1,0]=2 366 B11R1.25 CC[C@H](C)OCc1cccs1 bd45cdf2dba9c6543a04d66b2d5ac835 [0,1,0,0,0,0|0,2,0]=3 367 B11R1.25 CC[C@H](C)OCc1ccno1 b81865c4874326d6b759a188a29873b1 [0,1,0,0,0,0|1,1,0]=3 368 B11R1.25 CC[C@H](C)OCc1ccon1 fc6bd14a0bc3040ebe193daf0a42265e [0,1,0,0,0,0|2,1,0]=4 369 B11R1.25 CC[C@H](C)OCc1ccsc1 eece2c50364b12157d82dbdea6704f0f [0,1,0,0,0,0|2,1,0]=4 370 B11R1.25 CC[C@H](C)OCc1cocn1 4083c839d7e4833247919dcbade8b4ec [0,1,0,0,0,0|2,1,0]=4 371 B11R1.25 CC[C@H](C)OCc1cscn1 c0b1bb4c83484cc13917e4eaf88a9c45 [0,1,0,0,0,0|2,1,0]=4 372 B11R1.25 CC[C@H](C)OCc1ncc[nH]1 82ac3bb5d59644b7594b30e475cb48e3 [0,1,0,0,0,0|2,1,0]=4 373 B11R1.25 CC[C@H](C)OCc1ncco1 48bd22762b919f6018f53ef0d0fd1aa4 [0,1,0,0,0,0|1,1,0]=3 374 B11R1.25 CC[C@H](C)OCc1nccs1 61b9f5f48e5d78c76237e2a5cbc8d384 [0,1,0,0,0,0|1,2,0]=4 375 B11R1.25 CC[C@H](C)OCc1nnco1 a62b2969bb7ef369d703046689bde7f4 [0,1,0,0,0,0|2,1,0]=4 376 B11R1.25 CN(CO)CCc1cccs1 2c618cafcfd691f591f410a932ec48ac [0,1,0,0,0,0|2,1,0]=4 377 B11R1.25 COC(C)CNc1cccs1 c4c2fecde12301d8b0282dddfd2f9504 [0,1,0,0,0,0|2,1,0]=4 378 B11R1.25 COC(C)CNc1ccno1 b0ab5e3881fb346117cf126edd2da200 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.25 COC(C)CNc1ncco1 c0386e2cde7ba4f625ff0f41f126e1d9 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.25 COC(C)COc1ccco1 93065ea5c69b6fbdb33bcca608d73f09 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.25 COC(C)COc1cccs1 9f10d3bbe54420e35376d35fa4ea22f5 [0,1,0,0,0,0|2,1,0]=4 382 B11R1.25 CO[C@@H](C)CNc1cccs1 525908e5c54683eedd0d5312dda56c1f [0,1,0,0,0,0|2,1,0]=4 383 B11R1.25 CO[C@@H](C)CNc1ccno1 d4e76eabdff3e2e98880d7f9cf1b5915 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.25 CO[C@@H](C)CNc1ncco1 9b2f3aefbe8a350351842e1b063a0a28 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.25 CO[C@@H](C)COc1ccco1 e557909e371149b446b7f97226f650cc [0,1,0,0,0,0|2,0,0]=3 386 B11R1.25 CO[C@@H](C)COc1cccs1 f1cbc3c28cc6639889fa3b36ddc0bb2a [0,1,0,0,0,0|2,1,0]=4 387 B11R1.25 CO[C@H](C)CNc1cccs1 2c7e909abe7649dec8a45da80c668e6e [0,1,0,0,0,0|2,1,0]=4 388 B11R1.25 CO[C@H](C)CNc1ccno1 aa0e997902be1a0fa0352fb2108c1267 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.25 CO[C@H](C)CNc1ncco1 9a83a91a45500ccd12373084c7ac5528 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.25 CO[C@H](C)COc1ccco1 a1992187ae1c40f3e1e43f18845ac2cf [0,1,0,0,0,0|2,0,0]=3 391 B11R1.25 CO[C@H](C)COc1cccs1 4cf78b41a8911247d096ddceaf26e53e [0,1,0,0,0,0|2,1,0]=4 392 B11R1.25 C[C@@H](CO)CNc1cccs1 3c221bbfdbd70a2e7151c5eaca058c12 [0,1,0,0,0,0|2,1,0]=4 393 B11R1.25 C[C@@H](CO)CNc1ccno1 21a11ece3ed99c3f50e17d9a0f542aa3 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.25 C[C@@H](CO)CNc1ncco1 9921f85e38560b5bd95cc8c34e50d923 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.25 C[C@@H](CO)NCc1cc[nH]c1 9cf6fea2d87a0365fb814687749c5087 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.25 C[C@@H](CO)NCc1ccc[nH]1 ef9ac39ef16e2c829e4a3ac58e5822d9 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.25 C[C@@H](CO)NCc1ccco1 2b9b1d2922178f6f79ded161cd99a8d3 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.25 C[C@@H](CO)NCc1cccs1 d8fcc910bc3e48f8aa76ce1963b2b15b [0,1,0,0,0,0|1,1,0]=3 399 B11R1.25 C[C@@H](CO)NCc1ccn[nH]1 f489986b89c0d2f6e495b9853e8a8731 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.25 C[C@@H](CO)NCc1ccno1 c447305022824b2335e515bfee13edc0 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.25 C[C@@H](CO)NCc1ccns1 5965e4f129bf38f828ed4e680479b2b6 [0,1,0,0,0,0|2,1,0]=4 402 B11R1.25 C[C@@H](CO)NCc1ccoc1 7a372abb1697576859682d94c0140c30 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.25 C[C@@H](CO)NCc1ccon1 74c05e1e12d8e1fe26a7862f93956f93 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.25 C[C@@H](CO)NCc1ccsc1 56f681eb39e98203a9e4ca448f1fbc26 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.25 C[C@@H](CO)NCc1ccsn1 0cf94afcf2a1da4e9d30e336bbde2d63 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.25 C[C@@H](CO)NCc1cnc[nH]1 5f58839d04959fb256b5a2a521d1a86f [0,1,0,0,0,0|3,0,0]=4 407 B11R1.25 C[C@@H](CO)NCc1cnco1 24bf9690360e76b12e34a0404f0dd787 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.25 C[C@@H](CO)NCc1cocn1 6c6985ce346f2021e0902e1ead33770a [0,1,0,0,0,0|3,0,0]=4 409 B11R1.25 C[C@@H](CO)NCc1cscn1 e9d3476933b262112c331c5bc529ffd9 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.25 C[C@@H](CO)NCc1ncc[nH]1 54526e9a24a56130706787f82bacb173 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.25 C[C@@H](CO)NCc1ncco1 e1a9674fb0dc94586ea02c7711fe7d4e [0,1,0,0,0,0|2,0,0]=3 412 B11R1.25 C[C@@H](CO)NCc1nccs1 7bf863cb58ad7adf84b7bd1ef9af735f [0,1,0,0,0,0|2,1,0]=4 413 B11R1.25 C[C@@H](CO)NCc1nnco1 6df63e0a96407a8dd090350551fd43ff [0,1,0,0,0,0|3,0,0]=4 414 B11R1.25 C[C@H](C=O)NCc1ccc[nH]1 fc3e9f5aaed48bdcb2036f81cd3b21bd [0,1,0,0,0,0|2,0,1]=4 415 B11R1.25 C[C@H](C=O)NCc1ccco1 b0a84eebe7be135256eaaef882aa33a2 [0,1,0,0,0,0|1,0,1]=3 416 B11R1.25 C[C@H](C=O)NCc1cccs1 f1b634559d3c233eca5b084f151981a9 [0,1,0,0,0,0|1,1,1]=4 417 B11R1.25 C[C@H](C=O)NCc1ccno1 d32f2d975e5d3e095580807f2a4924e5 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.25 C[C@H](C=O)NCc1cnco1 6c30c33f3a61ad345f7f6c87fd6d5390 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.25 C[C@H](C=O)NCc1ncco1 1727fb6721fad79125d86e3d9d321315 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.25 C[C@H](C=O)OCc1ccc[nH]1 5dd28ca69b96658363ecfb666d7724b3 [0,1,0,0,0,0|1,1,1]=4 421 B11R1.25 C[C@H](C=O)OCc1ccco1 838c9bf3f58f5510bcb9fffbefec1241 [0,1,0,0,0,0|0,1,1]=3 422 B11R1.25 C[C@H](C=O)OCc1cccs1 b73d770e559d720c16e6aeb8d7811078 [0,1,0,0,0,0|0,2,1]=4 423 B11R1.25 C[C@H](C=O)OCc1ccno1 ff3a209c0f1016a7ca29046a2e18d2b4 [0,1,0,0,0,0|1,1,1]=4 424 B11R1.25 C[C@H](C=O)OCc1cnco1 ef220e449255617ad810056f3d2e4792 [0,1,0,0,0,0|1,1,1]=4 425 B11R1.25 C[C@H](C=O)OCc1ncco1 e3f8a0ad1564baea118d478200947d2b [0,1,0,0,0,0|1,1,1]=4 426 B11R1.25 C[C@H](CO)CNc1ccco1 1f73a8f603f63c0fa3041d3cfeae2992 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.25 C[C@H](CO)CNc1cccs1 9da4c361a8dcef4f13e49dae1801c663 [0,1,0,0,0,0|2,1,0]=4 428 B11R1.25 C[C@H](CO)CNc1ccno1 e7558f629217236d883ee4ec698f4d16 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.25 C[C@H](CO)CNc1ncco1 8db5837709caf57981fe37c324ce1b69 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.25 C[C@H](CO)NCc1cc[nH]c1 36d4de56e28aab4498d9687d1a30419f [0,1,0,0,0,0|3,0,0]=4 431 B11R1.25 C[C@H](CO)NCc1ccc[nH]1 7318914e1b5735f2e8c544fefe9a8c93 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.25 C[C@H](CO)NCc1ccco1 d1c1d3584d51f54226efd246214dd928 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.25 C[C@H](CO)NCc1cccs1 3a6767b03ae7d2d9b73ba88d96827a42 [0,1,0,0,0,0|1,1,0]=3 434 B11R1.25 C[C@H](CO)NCc1ccn[nH]1 363eaf80b6e1c52707edc59faef84915 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.25 C[C@H](CO)NCc1ccno1 a57c52e7535e6fcf4dfc4286e2eec1fd [0,1,0,0,0,0|2,0,0]=3 436 B11R1.25 C[C@H](CO)NCc1ccns1 c47379910a899ce88099630fc7737527 [0,1,0,0,0,0|2,1,0]=4 437 B11R1.25 C[C@H](CO)NCc1ccoc1 4e74c5fe422c084f8cf7d614a73791a9 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.25 C[C@H](CO)NCc1ccon1 d568704e9ca4cbc68e003223760b2fb5 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.25 C[C@H](CO)NCc1ccsc1 e18ec142a4c6aff0cf7600c1a120be0d [0,1,0,0,0,0|3,0,0]=4 440 B11R1.25 C[C@H](CO)NCc1ccsn1 d6dd4b2a1ab90a1f797dbfafe0940984 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.25 C[C@H](CO)NCc1cnc[nH]1 9e7cfa76a61d3be59449b24f0ea18156 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.25 C[C@H](CO)NCc1cnco1 b22fdd01ca2f9205aef0f5eb0218a5e9 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.25 C[C@H](CO)NCc1cocn1 4d7b42aae230e19317e662e763e666fe [0,1,0,0,0,0|3,0,0]=4 444 B11R1.25 C[C@H](CO)NCc1cscn1 31329b13148d25c4fe6139e3398e0db2 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.25 C[C@H](CO)NCc1ncc[nH]1 5242706886dd27a55c979d9c4ad65a6b [0,1,0,0,0,0|3,0,0]=4 446 B11R1.25 C[C@H](CO)NCc1ncco1 577384531284a31c70cd2246256b63d5 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.25 C[C@H](CO)NCc1nccs1 0e5fb1b65b8f2046594f43dc9e4bfc20 [0,1,0,0,0,0|2,1,0]=4 448 B11R1.25 C[C@H](CO)NCc1nnco1 e253981ba543a12723d16d27afd30d0a [0,1,0,0,0,0|3,0,0]=4 449 B11R1.25 C[C@H](CS)OCc1cccs1 4b5c8f53d7fe4176851f153a261ea2f8 [0,1,0,0,0,0|0,2,0]=3 450 B11R1.25 C[C@H](CS)OCc1ccno1 aad4a48440f9c95435c513e0d69c0abe [0,1,0,0,0,0|1,1,0]=3 451 B11R1.25 C[C@H](CS)OCc1ccon1 88529f99dac6d6175e6a14f5a62bedd3 [0,1,0,0,0,0|2,1,0]=4 452 B11R1.25 C[C@H](CS)OCc1ccsc1 6d9f4d7c9730ad8228456398abc2da2e [0,1,0,0,0,0|2,1,0]=4 453 B11R1.25 C[C@H](CS)OCc1cnc[nH]1 aa90eefff942529dd0abcf09a9c2282f [0,1,0,0,0,0|2,1,0]=4 454 B11R1.25 C[C@H](CS)OCc1cocn1 0ebac7b3fb1a9f02df6ff3cb4df3823d [0,1,0,0,0,0|2,1,0]=4 455 B11R1.25 C[C@H](CS)OCc1cscn1 b47c28ccbba4121573ed41e9380fd1f1 [0,1,0,0,0,0|2,1,0]=4 456 B11R1.25 C[C@H](CS)OCc1ncc[nH]1 f90be5b2e2be1d98187c5162bb7d5891 [0,1,0,0,0,0|2,1,0]=4 457 B11R1.25 C[C@H](CS)OCc1ncco1 80dea45deab8c0f6fcda7b561fdfb6c8 [0,1,0,0,0,0|1,1,0]=3 458 B11R1.25 C[C@H](CS)OCc1nccs1 9bd59887f74104a6e007092c8ece4871 [0,1,0,0,0,0|1,2,0]=4 459 B11R1.25 O=C(CF)NCc1ccco1 84588230b201d06c07b9a063871937ae [0,1,0,0,0,0|2,0,1]=4 460 B11R1.25 O=C(CO)NCc1ccco1 df70aa8594e340b9ca90aef387447fda [0,1,0,0,0,0|2,0,1]=4 461 B11R1.25 O=C(CS)NCc1ccco1 cd6653eaf0be7fe394f59c7de3df0476 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.25 OCC(F)CNc1ccco1 6118cd8fe03f23b4b857d00ba0954269 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.25 OCC(O)CNc1ccco1 7b9c5f5e56970f10dc520432573197fd [0,1,0,0,0,0|3,0,0]=4 464 B11R1.25 OCC(O)COc1ccco1 dc2d0395a69f183df492a923cb6135fe [0,1,0,0,0,0|3,0,0]=4 465 B11R1.25 OC[C@@H](F)CNc1ccco1 dcc7f4fd9bf37253e26a69daeac1ef88 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.25 OC[C@@H](O)CNc1ccco1 5bdffd493ff70e4c17df01516b7b710e [0,1,0,0,0,0|3,0,0]=4 467 B11R1.25 OC[C@@H](O)COc1ccco1 a2b3e11dbfc8d2a213f5cf3d47f6f47c [0,1,0,0,0,0|3,0,0]=4 468 B11R1.25 OC[C@H](F)CNc1ccco1 b4e843b79edaeee1b9a67a112df8a9b9 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.25 OC[C@H](O)CNc1ccco1 9ee578a59bfbcffe6d64fa58e61adc7a [0,1,0,0,0,0|3,0,0]=4 470 B11R1.25 OC[C@H](O)COc1ccco1 d2c1f9a4756405de44337580e6551280 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.35 CC(=O)N(C)Cc1ccco1 595130f102a13741ef8c5e6d70797c2c [0,1,0,0,0,0|2,0,1]=4 472 B11R1.35 CC(C)C(C)Nc1ccno1 32fc8c1589c4007bc1fb41277cb5d512 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.35 CC(C)C(C)Nc1ncco1 54d72cbfec1df615dcd8ebcfa80f1bce [0,1,0,0,0,0|3,0,0]=4 474 B11R1.35 CC(C)C(C)Oc1ccco1 6d79cd5869e7d48bcea6279348bb6f1e [0,1,0,0,0,0|2,0,0]=3 475 B11R1.35 CC(C)N(C)Cc1ccc[nH]1 74f01e31157a03dd41bb5eba552d1f21 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.35 CC(C)N(C)Cc1ccco1 cee0dc5c5544607301dd1c2d555bd4e1 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.35 CC(C)N(C)Cc1cccs1 4b4d4a4c40e24898e80142e2d35c3ea1 [0,1,0,0,0,0|1,1,0]=3 478 B11R1.35 CC(C)N(C)Cc1ccn[nH]1 c87d7fc109fd812f7f4e30bcd99fe759 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.35 CC(C)N(C)Cc1ccno1 06cec8cffc629690f1832d03a487ea29 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.35 CC(C)N(C)Cc1ccon1 0f2b34c0274a465a8952f05edd5b0e60 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.35 CC(C)N(C)Cc1ccsc1 cb4ffae03bd13145927b6a797586537f [0,1,0,0,0,0|3,0,0]=4 482 B11R1.35 CC(C)N(C)Cc1cocn1 957ed4b3881ee9b5e338b837163453cc [0,1,0,0,0,0|3,0,0]=4 483 B11R1.35 CC(C)N(C)Cc1cscn1 5a2ed5bab172b404e61df946b5786101 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 f5c0902e2ee2e8f3054273112925df26 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.35 CC(C)N(C)Cc1ncco1 8e430fe44db373737dd5b2e5439b022e [0,1,0,0,0,0|2,0,0]=3 486 B11R1.35 CC(C)N(C)Cc1nccs1 551086b4eca14559e3d58fe779cebf93 [0,1,0,0,0,0|2,1,0]=4 487 B11R1.35 CC(C)[C@@H](C)Nc1ncco1 731202dc79b36262497bdc0aa1fd9ca3 [0,1,0,0,0,0|3,0,0]=4 488 B11R1.35 CC(C)[C@H](C)Nc1ncco1 867ee938c7bfa2f9882d498465bbf430 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.75 CC(=O)NCc1cc(co1)C c264239ea631634196e8ffbc272a6263 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.75 CC(=O)NCc1ccc(o1)Br 6e710dbc8a7ab5ca5f302eac2d542d29 [0,1,0,0,0,0|2,0,1]=4 491 B11R1.75 CC(=O)NCc1ccc(o1)C b13cd0bd40ca6cf6e3c39d68d12bdda4 [0,1,0,0,0,0|2,0,1]=4 492 B11R1.75 CC(C)CNc1cc(=O)[nH]o1 eec75c801f5ab65ddb81852275d30791 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.75 CC(C)CNc1ccc(s1)Br 8fdc9350387d8eca74176f6d75a8a08b [0,1,0,0,0,0|2,1,0]=4 494 B11R1.75 CC(C)CNc1ccc(s1)F 56e32dd2bfe183e3f5832509bcd08994 [0,1,0,0,0,0|2,1,0]=4 495 B11R1.75 CC(C)CNc1nc(co1)Br 8df76903df303f203fb36d336eb2de48 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.75 CC(C)COC1C=CC(=O)O1 1b718edcc6d29a689da22d17cb188697 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.75 CC(C)COc1ccc(s1)Br 0b52fe62f19a567add203b1a1745897b [0,1,0,0,0,0|2,1,0]=4 498 B11R1.75 CC(C)NCc1cc(=O)[nH]o1 4ef97e80ddbc4671249479109e17b926 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.75 CC(C)NCc1cc(c[nH]1)Br a857b33e0b9b5a9a7b209085d9e6291e [0,1,0,0,0,0|2,0,0]=3 500 B11R1.75 CC(C)NCc1cc(cs1)Br b3b4671b7bd88891614dd72df6e9a891 [0,1,0,0,0,0|1,1,0]=3 501 B11R1.75 CC(C)NCc1cc(no1)Br 8493817b671f4a92dd307c2c2cb53213 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.75 CC(C)NCc1cc(ns1)Br 48c1422de3ff48b36dfddc4a69be65f3 [0,1,0,0,0,0|2,1,0]=4 503 B11R1.75 CC(C)NCc1ccc(o1)Br a7d483e22c98aa519c0d57b297a3e305 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.75 CC(C)NCc1ccc(s1)Cl c5a90d112991a3d689b11e71374872ca [0,1,0,0,0,0|1,1,0]=3 505 B11R1.75 CC(C)NCc1ccc(s1)F a1c5c1dbca45fd11eb5cada48c1ab851 [0,1,0,0,0,0|1,1,0]=3 506 B11R1.75 CC(C)NCc1ccn(n1)C 26a24d5388d93f920f02c3e61bec55ad [0,1,0,0,0,0|3,0,0]=4 507 B11R1.75 CC(C)NCc1cn(cn1)C 1c37fb4f023fffba8e06170efa6e80d5 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.75 CC(C)NCc1cnc(s1)Br 5921bc04c97349c59eccc2eb10994fee [0,1,0,0,0,0|2,1,0]=4 509 B11R1.75 CC(C)NCc1csc(c1)Br 88bc41ebe010e8e27e58d11845c079e1 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.75 CC(C)NCc1csc(c1)Cl 144ef3173e92932e10c113df1eba2910 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.75 CC(C)NCc1nc(cs1)Br 55b63ffa70fbb2d09d0d910d6c96c792 [0,1,0,0,0,0|2,1,0]=4 512 B11R1.75 CC(C)NCc1nc(cs1)Cl a61be7ac4a327bbfca5adab7a4cfc6eb [0,1,0,0,0,0|2,1,0]=4 513 B11R1.75 CC(C)NCc1ncc(o1)Br f3ed209ce146d4ff29121b331f17813d [0,1,0,0,0,0|2,0,0]=3 514 B11R1.75 CC(C)NCc1ncc(s1)Cl fc89974a73fd18ce540965dbfb1e6643 [0,1,0,0,0,0|2,1,0]=4 515 B11R1.75 CC(C)OCC1=CC(=O)OC1 337948494ec3090bbd75a85d9bab8770 [0,1,0,0,0,0|2,1,0]=4 516 B11R1.75 CC(C)OCC1C=CC(=O)O1 49328af670be7ecc74cef0213da65f1d [0,1,0,0,0,0|0,1,1]=3 517 B11R1.75 CC(C)OC[C@@H]1C=CC(=O)O1 4a37d3fa13eacceb6743552d266495de [0,1,0,0,0,0|0,1,1]=3 518 B11R1.75 CC(C)OCc1cc(co1)Br 6dcc718299df47ca5670faa3ee10cc2a [0,1,0,0,0,0|0,1,0]=2 519 B11R1.75 CC(C)OCc1cc(cs1)Br a7244d5f42560aafaceac86456e7b40a [0,1,0,0,0,0|0,2,0]=3 520 B11R1.75 CC(C)OCc1cc(no1)Br 68db0db432a3ac3599e9930e9aead9af [0,1,0,0,0,0|1,1,0]=3 521 B11R1.75 CC(C)OCc1cc(sn1)Br 460a95878e4968d369e76da761388d7b [0,1,0,0,0,0|2,1,0]=4 522 B11R1.75 CC(C)OCc1ccc(o1)Br 4572bd0ae662cbcc2083e6c5e472cae9 [0,1,0,0,0,0|0,1,0]=2 523 B11R1.75 CC(C)OCc1ccc(s1)Br 45851314a5dd90d4b3e29700bd9cbe95 [0,1,0,0,0,0|0,2,0]=3 524 B11R1.75 CC(C)OCc1ccc(s1)Cl 8aa3cc4198706bda5efaacfd1e1232c9 [0,1,0,0,0,0|0,2,0]=3 525 B11R1.75 CC(C)OCc1ccn(c1)C e5e5bf35180635a2812f11fec600e232 [0,1,0,0,0,0|2,1,0]=4 526 B11R1.75 CC(C)OCc1ccn(n1)C 3649826875bfc0e23d702f8ef34fec33 [0,1,0,0,0,0|2,1,0]=4 527 B11R1.75 CC(C)OCc1cn(cn1)C eb4c601d48508aa25c1f038cd05225e5 [0,1,0,0,0,0|2,1,0]=4 528 B11R1.75 CC(C)OCc1cnc(s1)Br 4ada5fc3b6a2db17c8affa8e5acefdc5 [0,1,0,0,0,0|1,2,0]=4 529 B11R1.75 CC(C)OCc1cnc(s1)Cl 27807a1d2a7ee8efc05af218f56ee298 [0,1,0,0,0,0|1,2,0]=4 530 B11R1.75 CC(C)OCc1coc(=O)o1 77c49c7ffea925215d34fca10b3265d3 [0,1,0,0,0,0|1,1,0]=3 531 B11R1.75 CC(C)OCc1coc(c1)Br 3ed4000d549dba51e0522e34faca1eaf [0,1,0,0,0,0|2,1,0]=4 532 B11R1.75 CC(C)OCc1coc(n1)Br 4ddaf9e51c1f5c324e33884ad59d2288 [0,1,0,0,0,0|2,1,0]=4 533 B11R1.75 CC(C)OCc1coc(n1)Cl fb4d404603081af39648b0812cf83703 [0,1,0,0,0,0|2,1,0]=4 534 B11R1.75 CC(C)OCc1csc(c1)Br 14a1f7764cf6ddac0feb6aaa5d41307d [0,1,0,0,0,0|2,1,0]=4 535 B11R1.75 CC(C)OCc1csc(c1)Cl 9efab6677ca267109ab0a65c61c5a36e [0,1,0,0,0,0|2,1,0]=4 536 B11R1.75 CC(C)OCc1csc(n1)Br 414d5f2d256e82abf37cd1765bab4c00 [0,1,0,0,0,0|2,1,0]=4 537 B11R1.75 CC(C)OCc1csc(n1)Cl 2fd8c3f7b089fef05693cd2538472d1b [0,1,0,0,0,0|2,1,0]=4 538 B11R1.75 CC(C)OCc1nc(cs1)Br 34928951df9a5893f9d618a4390c9b07 [0,1,0,0,0,0|1,2,0]=4 539 B11R1.75 CC(C)OCc1nc(no1)Br 48fec5682520d5737268064c7b368064 [0,1,0,0,0,0|2,1,0]=4 540 B11R1.75 CC(C)OCc1ncc(o1)Br 267a9896be4d8e564cbcf9591ecd2a11 [0,1,0,0,0,0|1,1,0]=3 541 B11R1.75 CC(C)OCc1ncc(s1)Br cbd3b963a0eece780aff04b1526fc3df [0,1,0,0,0,0|1,2,0]=4 542 B11R1.75 CC(C)OCc1ncc(s1)Cl a0e5ab9054c27ef91a07666fc50b41f9 [0,1,0,0,0,0|1,2,0]=4 543 B11R1.75 CC(C)OCn1cc(cn1)Br 40cb9ecc0da41ab44f9588d26ba341bc [0,1,0,0,0,0|2,1,0]=4 544 B11R1.75 CC(C)OCn1cc(cn1)Cl 94b7cd98d210efbc58b498a738611f7e [0,1,0,0,0,0|2,1,0]=4 545 B11R1.75 CC(C)OCn1ccc(n1)Br d9f649362f94bc48c0ada39971b0675e [0,1,0,0,0,0|2,1,0]=4 546 B11R1.75 CC(C)OCn1ccc(n1)I f28828a2d54ed8cdc98525507b40458d [0,1,0,0,0,0|2,1,0]=4 547 B11R1.75 Cc1c[nH]c(n1)COC(C)C fe9932ad0791b10030e656459a6f8e45 [0,1,0,0,0,0|2,1,0]=4 548 B11R1.75 Cc1cc([nH]n1)CNC(C)C 015a6bcc810bb6bb19eb00acf48bc980 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.75 Cc1cc([nH]n1)COC(C)C 714a502367baeae4ce813683feb8e20c [0,1,0,0,0,0|2,1,0]=4 550 B11R1.75 Cc1cc(cs1)COC(C)C 8640b734758bc7599365f1bf40a5e2ba [0,1,0,0,0,0|2,1,0]=4 551 B11R1.75 Cc1cc(no1)CNC(C)C eb57323ec78db19e999d299d4e2a951c [0,1,0,0,0,0|3,0,0]=4 552 B11R1.75 Cc1cc(no1)COC(C)C 679607853a6de76907750e2bca8bda43 [0,1,0,0,0,0|2,1,0]=4 553 B11R1.75 Cc1cc(ns1)COC(C)C aba7a645e0ed5afa8ecf55e289688f68 [0,1,0,0,0,0|2,1,0]=4 554 B11R1.75 Cc1cc(on1)CNC(C)C 4a18a8a84fcf8f520f83083d641f8eb4 [0,1,0,0,0,0|2,0,0]=3 555 B11R1.75 Cc1cc(on1)COC(C)C f71465cf8ceef48c427ff2b08e77c217 [0,1,0,0,0,0|1,1,0]=3 556 B11R1.75 Cc1cc(on1)NCC(C)C 7b5b50d2ce5e9a016e0ff24e435deb0c [0,1,0,0,0,0|3,0,0]=4 557 B11R1.75 Cc1cc(sn1)CNC(C)C cb10b174c58c2f80580a57e40c61751d [0,1,0,0,0,0|2,1,0]=4 558 B11R1.75 Cc1ccc(o1)CNC(C)C 17906d5fa8553b52e59fdc5d95921f17 [0,1,0,0,0,0|1,0,0]=2 559 B11R1.75 Cc1ccc(o1)COC(C)C 0e7aacbb60b32ca81c5945b28486e61e [0,1,0,0,0,0|0,1,0]=2 560 B11R1.75 Cc1ccc(o1)NCC(C)C ebcd67a12b071f28eb41533062e0157e [0,1,0,0,0,0|2,0,0]=3 561 B11R1.75 Cc1ccc(o1)NCC(C)O e4cda00768d23bd0fe9bcceae70111d1 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.75 Cc1ccc(o1)NC[C@@H](C)O c548e972b429550527852a47333680d3 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.75 Cc1ccc(o1)NC[C@H](C)O b64e0b40fe170bb547457627e8d6a85e [0,1,0,0,0,0|3,0,0]=4 564 B11R1.75 Cc1ccc(s1)CNC(C)C 33a9384734a01e0ab928eec28f0fa949 [0,1,0,0,0,0|1,1,0]=3 565 B11R1.75 Cc1ccc(s1)COC(C)C 557aa717b55d7c1351ba28a7726b5d65 [0,1,0,0,0,0|0,2,0]=3 566 B11R1.75 Cc1ccc(s1)NCC(C)C 0da7e2f78ebad0366cc492f36b9dd917 [0,1,0,0,0,0|2,1,0]=4 567 B11R1.75 Cc1cnc(o1)CNC(C)C ae5bf190cb133d71866c987c65454c5d [0,1,0,0,0,0|2,0,0]=3 568 B11R1.75 Cc1cnc(o1)NCC(C)C 85c79ae3df425fadae76c59a32ff80ec [0,1,0,0,0,0|3,0,0]=4 569 B11R1.75 Cc1cnc(s1)CNC(C)C 80c102dd387e040245626a201489d6ba [0,1,0,0,0,0|2,1,0]=4 570 B11R1.75 Cc1cnc(s1)COC(C)C 42a34cc69a51cb05a308909765f53cc1 [0,1,0,0,0,0|1,2,0]=4 571 B11R1.75 Cc1coc(c1)CNC(C)C 2dcd43bd39a6e62a53c73bb8727417e2 [0,1,0,0,0,0|1,0,0]=2 572 B11R1.75 Cc1coc(n1)CNC(C)C 861b6cac3da5e8e90f64cb346c7c4828 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.75 Cc1coc(n1)NCC(C)C 9daec8a25e659a3481618be93843e170 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.75 Cc1csc(c1)CNC(C)C 6c9caf316e91301ca3efcbd7514fcd07 [0,1,0,0,0,0|1,1,0]=3 575 B11R1.75 Cc1csc(c1)OCC(C)C abd0f30def506764807a952432fb593b [0,1,0,0,0,0|2,1,0]=4 576 B11R1.75 Cc1csc(n1)CNC(C)C fe0fd7de1b6fc405bd5812c2bab03866 [0,1,0,0,0,0|2,1,0]=4 577 B11R1.75 Cc1csc(n1)COC(C)C 22daaa78a29862e7058663810a29d45c [0,1,0,0,0,0|1,2,0]=4 578 B11R1.75 Cc1nc(c[nH]1)CNC(C)C 8cf3d9aaceb557c78336ea7b21ac44cf [0,1,0,0,0,0|3,0,0]=4 579 B11R1.75 Cc1nc(c[nH]1)COC(C)C 09ddc84ea575bf823b54ef5749bda644 [0,1,0,0,0,0|2,1,0]=4 580 B11R1.75 Cc1nc(co1)CNC(C)C a97038e189b64ed306c36785ff406b4e [0,1,0,0,0,0|3,0,0]=4 581 B11R1.75 Cc1nc(co1)COC(C)C dd8e1c363c11acb3fb2d55f8c5e55f47 [0,1,0,0,0,0|2,1,0]=4 582 B11R1.75 Cc1nc(cs1)CNC(C)C 0fd7b59c107d0c5a2c0d395123c45460 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.75 Cc1nc(cs1)COC(C)C 9be46ab899a027bd660bf463d51b9a69 [0,1,0,0,0,0|2,1,0]=4 584 B11R1.75 Cc1ncc(o1)COC(C)C aa83d3c828010ea8b5d95ff8d61a626b [0,1,0,0,0,0|1,1,0]=3 585 B11R1.75 Cc1ncc(o1)NCC(C)C 3f5232c25cae5cda0d5496113364a147 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.75 Cc1ncc(s1)CNC(C)C bfe2c9161529605d7216f3fb7d01946f [0,1,0,0,0,0|2,1,0]=4 587 B11R1.75 Cc1ncc(s1)COC(C)C 9240eb50a29efd3f7c18513b3edb40b0 [0,1,0,0,0,0|1,2,0]=4 588 B11R1.75 Cc1nnc(o1)CNC(C)C 7650d67f33d5a14db921f889ac229db6 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.75 Cc1nnc(o1)COC(C)C aca03cfa7e02e5513fdc8e14411646c4 [0,1,0,0,0,0|2,1,0]=4 590 B11R1.75 Cc1noc(n1)COC(C)C af778d584d1375f86376e39c4d1d1f7b [0,1,0,0,0,0|2,1,0]=4 591 B11R1.77 CC(=O)NC(C)c1ccco1 c1f414cbe29927a43c5ea82bc1066b08 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.77 CC(=O)N[C@H](C)c1ccco1 b21b5fa102dd5d98ec9d9b39f45da936 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.77 CC(C)CN(C)c1ncco1 1c311ac6a061cc17e543bd89d65daca3 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.77 CC(C)NC(C)c1cc[nH]n1 f079a6a01d0ce3fb217932fc97652c17 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.77 CC(C)NC(C)c1cccs1 eb683d65896895bb297b0ab71cc9c4a1 [0,1,0,0,0,0|1,1,0]=3 596 B11R1.77 CC(C)NC(C)c1ccoc1 53117ecad76e96354fa9dc6eb71c6cc8 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.77 CC(C)NC(C)c1ccon1 2ade17ca8cd6815733a0cd638f8456c5 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.77 CC(C)NC(C)c1ccsc1 1aaf4c6775cbafabdea83496d81eda8b [0,1,0,0,0,0|3,0,0]=4 599 B11R1.77 CC(C)NC(C)c1cscn1 038393259c38d8375ac20309817068ed [0,1,0,0,0,0|3,0,0]=4 600 B11R1.77 CC(C)NC(C)c1ncco1 fe124b38010fb9cb72b19d33b81f9d79 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.77 CC(C)NC(C)c1nccs1 5ff3a4aad80f5a02a7e202845f06bdf6 [0,1,0,0,0,0|2,1,0]=4 602 B11R1.77 CC(C)NC(C)c1nnco1 5ab51e1a240382d2bd92ca8a8c6f6b51 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.77 CC(C)N[C@@H](C)c1cccs1 4b8c345b98d415a7c8e8fa5e2d864489 [0,1,0,0,0,0|1,1,0]=3 604 B11R1.77 CC(C)N[C@@H](C)c1ccoc1 fd85b2917264c72899a05867e14d69a1 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.77 CC(C)N[C@@H](C)c1ccsc1 2fdf5e814cca434e256693ccc4479c75 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.77 CC(C)N[C@@H](C)c1nccs1 06a4993970b77ba60d112c10d386366e [0,1,0,0,0,0|2,1,0]=4 607 B11R1.77 CC(C)N[C@H](C)c1cccs1 d255631cb9b28bf8c4e4cf64cf9e49cc [0,1,0,0,0,0|1,1,0]=3 608 B11R1.77 CC(C)OC(C)c1cc[nH]n1 0f9c9cfc581e8940fd59831257260754 [0,1,0,0,0,0|2,1,0]=4 609 B11R1.77 CC(C)OC(C)c1cccs1 4a80191c016c84671367c15c4ce54900 [0,1,0,0,0,0|0,2,0]=3 610 B11R1.77 CC(C)OC(C)c1ccoc1 7604f58eca36b73b95b746c0c402b613 [0,1,0,0,0,0|2,1,0]=4 611 B11R1.77 CC(C)OC(C)c1ccsc1 d548336f1cceebabf041e38e4c99890a [0,1,0,0,0,0|2,1,0]=4 612 B11R1.77 CC(C)OC(C)c1ncc[nH]1 8db7f4f40c72bb4a039ad17163096fdb [0,1,0,0,0,0|2,1,0]=4 613 B11R1.77 CC(C)OC(C)c1nccs1 518db131c476bcb66aeb2ade64d7ae4f [0,1,0,0,0,0|1,2,0]=4 614 B11R1.77 CC(C)O[C@@H](C)c1cccs1 557a9cdd57ebf18ee8f272b45845d97f [0,1,0,0,0,0|0,2,0]=3 615 B11R1.77 CC(C)O[C@@H](C)c1nccs1 76e9fc6b60eae9460f35a14e8c99fcbc [0,1,0,0,0,0|1,2,0]=4 616 B11R1.77 CC(C)O[C@H](C)c1cccs1 85c06e1ba647c2cb8d6053f8c6d14fe3 [0,1,0,0,0,0|0,2,0]=3 617 B11R1.77 CC(C)O[C@H](C)c1nccs1 4c1e4d94445d9ece80ff72b5d5b1d00a [0,1,0,0,0,0|1,2,0]=4 618 B11R1.90 CC(=O)NCc1occc1C 6dcfcfae995904333b31ef08b1e3652a [0,1,0,0,0,0|2,0,1]=4 619 B11R1.90 CC(C)COc1cccn1C 19e0e8e85ac129c2af48d4ffc9612863 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.90 CC(C)NCc1cccn1C c6fc5f8d705500a60070e76fa2869c51 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.90 CC(C)NCc1ccnn1C 935ccf7484ae12b106878b0d57443889 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.90 CC(C)NCc1ccsc1Br 4a27c6d503fdde6d1fd5d1c72d84fd4c [0,1,0,0,0,0|3,0,0]=4 623 B11R1.90 CC(C)NCc1cncn1C 2d7839a21c783fd0a733d399f3a54c3b [0,1,0,0,0,0|3,0,0]=4 624 B11R1.90 CC(C)NCc1nccn1C 1d5e46288da16ed807562b775b894115 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.90 CC(C)NCc1sccc1Cl 761f8ceea94b6e5c7f99700833619ca9 [0,1,0,0,0,0|1,1,0]=3 626 B11R1.90 CC(C)NCc1sccc1F bb2386efdf8df63e79046def75caf0b6 [0,1,0,0,0,0|1,1,0]=3 627 B11R1.90 CC(C)NCc1scnc1Br e781d85c44ab0e53c5ebdde28bbdf04c [0,1,0,0,0,0|2,1,0]=4 628 B11R1.90 CC(C)OCc1[nH]ncc1Br 9ea73dcf2a23bcc34532de9f72a78101 [0,1,0,0,0,0|2,1,0]=4 629 B11R1.90 CC(C)OCc1cccn1C dc258659f2c47022cf6f5688045bfd42 [0,1,0,0,0,0|1,1,0]=3 630 B11R1.90 CC(C)OCc1ccnn1C 4f50aa618fece59e6db3a34b589f67e7 [0,1,0,0,0,0|2,1,0]=4 631 B11R1.90 CC(C)OCc1ccsc1Br dbcf97d1fab70aab5b72996d60344c7d [0,1,0,0,0,0|2,1,0]=4 632 B11R1.90 CC(C)OCc1ccsc1Cl 1244dd7e94749852b45d6a5627b49def [0,1,0,0,0,0|2,1,0]=4 633 B11R1.90 CC(C)OCc1cncn1C 741fa184d9f42a13ac0f1f76299f3f73 [0,1,0,0,0,0|2,1,0]=4 634 B11R1.90 CC(C)OCc1cscc1Br 42925a232c71604cf56a88a720a105e8 [0,1,0,0,0,0|2,1,0]=4 635 B11R1.90 CC(C)OCc1nccn1C c405770e48e51fa58ce865f9bc0d8287 [0,1,0,0,0,0|2,1,0]=4 636 B11R1.90 CC(C)OCc1occc1Br 5e499d8c54a43fe9cdc83e61ba5cb317 [0,1,0,0,0,0|0,1,0]=2 637 B11R1.90 CC(C)OCc1sccc1Cl f3fa22cd47ef1a329457681991455a71 [0,1,0,0,0,0|0,2,0]=3 638 B11R1.90 CC(C)OCc1scnc1Cl 999f833f8ba69ef972c18d95b894b46c [0,1,0,0,0,0|1,2,0]=4 639 B11R1.90 Cc1[nH]cnc1CNC(C)C e64a9d7d520c74b97a3325691d27e2d9 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.90 Cc1[nH]cnc1COC(C)C 5926bded551dc37727c5d125e9ce7081 [0,1,0,0,0,0|2,1,0]=4 641 B11R1.90 Cc1c[nH]nc1COC(C)C 767c6d6c21f797bcfc9dabe867d41bb8 [0,1,0,0,0,0|2,1,0]=4 642 B11R1.90 Cc1ccoc1CNC(C)C 4cb35c14cd660170583bb58b2ce11c75 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.90 Cc1ccoc1COC(C)C 53ce2525eea58424e691bb0419bcb258 [0,1,0,0,0,0|0,1,0]=2 644 B11R1.90 Cc1cnoc1COC(C)C 02290925aafd04a4442ef25d7f528f7b [0,1,0,0,0,0|1,1,0]=3 645 B11R1.90 Cc1cnoc1NCC(C)C aa484e4129e3add0eea9574316f3b899 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.90 Cc1cscc1COC(C)C 006605a261a6c1daad28900b9bf80c93 [0,1,0,0,0,0|2,1,0]=4 647 B11R1.90 Cc1ncoc1COC(C)C ddd054a1676efc2bf2c8f9d19e17079a [0,1,0,0,0,0|1,1,0]=3 648 B11R1.90 Cc1ncsc1CNC(C)C a985b3b6952bc9dae50718f7e18651f1 [0,1,0,0,0,0|2,1,0]=4 649 B11R1.90 Cc1ncsc1COC(C)C 77bffa14fb367206ae7c1269caca4d67 [0,1,0,0,0,0|1,2,0]=4 650 B11R1.90 Cc1occc1CNC(C)C 17abcd4fdf9255353b63518ff11bab95 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.90 Cc1occc1COC(C)C f7f6019c6f0e9e0ddc81d3677321bdaf [0,1,0,0,0,0|2,1,0]=4 652 B11R1.90 Cc1ocnc1CNC(C)C b0bfd59472c5f84a95bff84b4acf96d5 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.90 Cc1ocnc1COC(C)C 4a34e09defbf1002c5857ed3d38e2c50 [0,1,0,0,0,0|2,1,0]=4 654 B11R1.90 Cc1scnc1COC(C)C 6431b6f83846e0e4fd6589bef0911f97 [0,1,0,0,0,0|2,1,0]=4 655 B11R1.510 CC(C)(C)CNc1cccs1 60bf420cc622e51b4a9a06eeaa3e1416 [0,1,0,0,0,0|2,1,0]=4 656 B11R1.510 CC(C)(C)CNc1ccno1 5131e41f133a1007ea081e2dc2893f13 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.510 CC(C)(C)CNc1ncco1 8360d8b6a17795f2c91eda7391cbd0ee [0,1,0,0,0,0|3,0,0]=4 658 B11R1.510 CC(C)(C)COc1ccco1 c9917deeb29564f0cc9e691f6ea8ce63 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.510 CC(C)(C)COc1cccs1 4b0151e95a0f9ea1b157a34808df04e5 [0,1,0,0,0,0|2,1,0]=4 660 B11R1.510 CC(C)(C)NCc1ccco1 0d7c926a0e622b7d3b3c77fa6b1a0c7f [0,1,0,0,0,0|1,0,0]=2 661 B11R1.510 CC(C)(C)NCc1cccs1 198cffac06f10299aa41777584ba2102 [0,1,0,0,0,0|1,1,0]=3 662 B11R1.510 CC(C)(C)NCc1ccno1 24d325eb7c2ee0afd8d737cf5ddbfbad [0,1,0,0,0,0|2,0,0]=3 663 B11R1.510 CC(C)(C)NCc1ccon1 50a1cdb881bb8126a45acd9ba4d7b656 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.510 CC(C)(C)NCc1ccsc1 604f8a43d2bfb7201d12e258777e92ae [0,1,0,0,0,0|3,0,0]=4 665 B11R1.510 CC(C)(C)NCc1cnc[nH]1 bc0abe305bd4765acdb183052cad336e [0,1,0,0,0,0|3,0,0]=4 666 B11R1.510 CC(C)(C)NCc1cocn1 e0ccf28e795ac3656ba66a6b6983525d [0,1,0,0,0,0|3,0,0]=4 667 B11R1.510 CC(C)(C)NCc1cscn1 e5bf51e76b9b6498729b4538c7b6efc0 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.510 CC(C)(C)NCc1ncc[nH]1 42e6b3fc8943d3d74ea1c3f2a05db6b6 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.510 CC(C)(C)NCc1ncco1 127c6d22ee399115594c5f4a77e91815 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.510 CC(C)(C)NCc1nccs1 e711cc0f6ed9383d9717394b8c750f4c [0,1,0,0,0,0|2,1,0]=4 671 B11R1.510 CC(C)(C)NCc1nnco1 456e39b97a3a559aac5a4ab874e26f81 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.510 CC(C)(F)CNc1cccs1 7768314772156c6696bb90036516efe5 [0,1,0,0,0,0|2,1,0]=4 673 B11R1.510 CC(C)(F)CNc1ccno1 19544673a9a76f1514dcfa8ca3b8c91d [0,1,0,0,0,0|3,0,0]=4 674 B11R1.510 CC(C)(F)CNc1ncco1 29f660961174da07800c5742347b8420 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.510 CC(C)(F)COc1ccco1 c1c1a3d2368a0f4f5dd7f8a20c14b263 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.510 CC(C)(F)COc1cccs1 70e41e6d0cb72a9ec905774c9bdc652c [0,1,0,0,0,0|2,1,0]=4 677 B11R1.510 CC(C)(O)CNc1ccco1 56f31733a969c9ca63406cd8cb509b13 [0,1,0,0,0,0|2,0,0]=3 678 B11R1.510 CC(C)(O)CNc1cccs1 8e3d12ddc89f29aa850c2d1566c6b066 [0,1,0,0,0,0|2,1,0]=4 679 B11R1.510 CC(C)(O)CNc1ccno1 464b88518f8b3750e0de1c4113527ad1 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.510 CC(C)(O)CNc1ncco1 94165963745daf881481df3de53f309a [0,1,0,0,0,0|3,0,0]=4 681 B11R1.510 CC(C)(O)COc1ccco1 de1bfb25193492f91c96c030f00d3306 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.510 CC(C)(O)COc1cccs1 0d9e714c3d5c3a28dbd67bc218a92820 [0,1,0,0,0,0|2,1,0]=4 683 B11R1.510 CC(F)(F)COc1ccco1 f9d5935798c703e71339b420042d0df5 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.2 C/C=C/C=C/COC(C)C bec2220b1d6103b70011a64fb32efb70 [0,0,1,0,0,0|1,1,0]=3 685 B9R0.2 C=C/C=C/CCNC(C)C de5ce45d02f7d2cb1e20946ae6389b8e [0,0,1,0,0,0|2,0,1]=4 686 B9R0.2 C=CCOCCCC(C)C ce1ea84c12026359cf2725f08aa7a070 [0,0,1,0,0,0|1,0,2]=4 687 B9R0.2 C=CCOCCOC(C)C 64e038ab048ac5eba8efb42f7a120613 [0,0,1,0,0,0|0,1,2]=4 688 B9R0.2 C=CCOCCSC(C)C 75d998ca421b16afe4184cffadd19bdf [0,0,1,0,0,0|0,0,2]=3 689 B9R0.2 CC(C)CCNC/C=C\O 4a69f39b034ff59b8a1dc33249998561 [0,0,1,0,0,0|2,0,1]=4 690 B9R0.2 CC(C)SCCOCC=O ec08f3bf045b5d5c092598851c9109d0 [0,0,1,0,0,0|1,0,2]=4 691 B9R0.2 CC=CC=CCOC(C)C 24b9fa85f55d4731b3b6ca3fc4d4a326 [0,0,1,0,0,0|1,1,0]=3 692 B9R0.48 C=CCC(O)CNC(C)C e5af93312824d72dcfc8f4941b40a48b [0,0,1,0,0,0|1,0,2]=4 693 B9R0.48 C=COC(=O)COC(C)C a2c2392c5ec1e704642cd23302e301c8 [0,0,1,0,0,0|1,1,0]=3 694 B11R2.5 CC1CC1Nc2ncco2 da24961eb2a36a22de9a7e21978b1ab4 [0,0,0,1,0,0|3,0,0]=4 695 B11R2.385 c1c[nH]c(c1)CNC2CC2 59a6e11358ca50c2f19af30cfbe39db3 [0,0,0,1,0,0|2,0,0]=3 696 B11R2.385 c1c[nH]c(c1)COC2CC2 d023f1c2c116ea6d7b44d3da54d9b0f1 [0,0,0,1,0,0|1,1,0]=3 697 B11R2.385 c1c[nH]c(n1)CNC2CC2 990e9bbf8c8c488fdb04996ede2cc90f [0,0,0,1,0,0|3,0,0]=4 698 B11R2.385 c1c[nH]c(n1)COC2CC2 00e2c0d6adc1526bcc42e3a0bc39cf75 [0,0,0,1,0,0|2,1,0]=4 699 B11R2.385 c1cc([nH]n1)CNC2CC2 4cde98cebae53a257cd649243ae843ed [0,0,0,1,0,0|3,0,0]=4 700 B11R2.385 c1cc([nH]n1)COC2CC2 a15ca4cf8a9beb24c2667c5b528e6b6b [0,0,0,1,0,0|2,1,0]=4 701 B11R2.385 c1cc(c[nH]1)CNC2CC2 b804be65a578e905cf1da0545215b041 [0,0,0,1,0,0|3,0,0]=4 702 B11R2.385 c1cc(c[nH]1)COC2CC2 a7ad929daa8f7f6a5d59ff785d008798 [0,0,0,1,0,0|2,1,0]=4 703 B11R2.385 c1cc(co1)COC2CC2 35d9e97d12fac95a3d58a489c841e98a [0,0,0,1,0,0|2,1,0]=4 704 B11R2.385 c1cc(cs1)CNC2CC2 a7820cfb7ecff9c89452b6027bd3a5e2 [0,0,0,1,0,0|3,0,0]=4 705 B11R2.385 c1cc(cs1)COC2CC2 068b9eca04e3b48769d624ee7f31aca1 [0,0,0,1,0,0|2,1,0]=4 706 B11R2.385 c1cc(no1)CNC2CC2 81fc59589b4b1762e5c66cd06eac1dfe [0,0,0,1,0,0|3,0,0]=4 707 B11R2.385 c1cc(no1)COC2CC2 f509f72911a75184161960d9fc988d33 [0,0,0,1,0,0|2,1,0]=4 708 B11R2.385 c1cc(ns1)COC2CC2 f9b9434b62b4cf8f9ba8bea9fa378b70 [0,0,0,1,0,0|2,1,0]=4 709 B11R2.385 c1cc(on1)CNC2CC2 06613c56d54822f3b9182d583388fb5e [0,0,0,1,0,0|2,0,0]=3 710 B11R2.385 c1cc(on1)COC2CC2 8fec2cf7d8dd82f156f77177004af495 [0,0,0,1,0,0|1,1,0]=3 711 B11R2.385 c1cc(on1)NCC2CC2 86fa87d01515f64356de5368b49e2a99 [0,0,0,1,0,0|3,0,0]=4 712 B11R2.385 c1cc(sn1)COC2CC2 494c4f994afaa94b2080707d5c96d212 [0,0,0,1,0,0|1,2,0]=4 713 B11R2.385 c1cnn(c1)COC2CC2 5d2880be8993abfcdf4249f0c39f7f5e [0,0,0,1,0,0|2,1,0]=4 714 B11R2.385 c1coc(c1)CNC2CC2 a935d11545af700e1f9217e8d211e17d [0,0,0,1,0,0|1,0,0]=2 715 B11R2.385 c1coc(c1)COC2CC2 03ead378b7018e25b154b738e6adcece [0,0,0,1,0,0|0,1,0]=2 716 B11R2.385 c1coc(c1)OCC2CC2 47a1be8c37388d024c5b454a8878d544 [0,0,0,1,0,0|2,0,0]=3 717 B11R2.385 c1coc(n1)CNC2CC2 c5e996094d16df79fcb435eebd38fa1d [0,0,0,1,0,0|2,0,0]=3 718 B11R2.385 c1coc(n1)COC2CC2 1e557a89a97a47604715be08f048b659 [0,0,0,1,0,0|1,1,0]=3 719 B11R2.385 c1coc(n1)NCC2CC2 797054f02a1060750213df59834a8720 [0,0,0,1,0,0|3,0,0]=4 720 B11R2.385 c1csc(c1)CNC2CC2 a3b8685df1d05086920b83e0e1a30168 [0,0,0,1,0,0|1,1,0]=3 721 B11R2.385 c1csc(c1)COC2CC2 9c47682f7822b9ce46ff4579e17f72af [0,0,0,1,0,0|0,2,0]=3 722 B11R2.385 c1csc(c1)NCC2CC2 325c825ea7aa3019b849fb2de969b493 [0,0,0,1,0,0|2,1,0]=4 723 B11R2.385 c1csc(c1)OCC2CC2 48cbf3e23a9745a4d434fee8d20b2061 [0,0,0,1,0,0|2,1,0]=4 724 B11R2.385 c1csc(n1)CNC2CC2 b8d89713dcd481b9e6be0b5843ef246c [0,0,0,1,0,0|2,1,0]=4 725 B11R2.385 c1csc(n1)COC2CC2 2d90457352a9185202007aa9b1918864 [0,0,0,1,0,0|1,2,0]=4 726 B11R2.385 c1nc(co1)CNC2CC2 e24de11945d488c7ffe7bd6335d9f365 [0,0,0,1,0,0|3,0,0]=4 727 B11R2.385 c1nc(co1)COC2CC2 845a5f80595260c3addae202c350dc40 [0,0,0,1,0,0|2,1,0]=4 728 B11R2.385 c1nc(cs1)CNC2CC2 4474308bf3b8e3f23a17c5754d0d4709 [0,0,0,1,0,0|3,0,0]=4 729 B11R2.385 c1nc(cs1)COC2CC2 6b1683fd5cfde331231fb6063efd0b58 [0,0,0,1,0,0|2,1,0]=4 730 B11R2.385 c1ncc([nH]1)CNC2CC2 75118677b20f806fc07ec0c50c283d84 [0,0,0,1,0,0|3,0,0]=4 731 B11R2.385 c1ncc([nH]1)COC2CC2 db95b298d7e54c92b621de5f0a5746ef [0,0,0,1,0,0|2,1,0]=4 732 B11R2.385 c1ncc(o1)COC2CC2 a7c8ffaf82745c0445426b7baf823bf9 [0,0,0,1,0,0|1,1,0]=3 733 B11R2.385 c1ncc(s1)COC2CC2 20c8ead087779fc6f4001332299c252b [0,0,0,1,0,0|1,2,0]=4 734 B11R2.385 c1nnc(o1)CNC2CC2 c439c4e4d12d58bf230585b9e7dd6e36 [0,0,0,1,0,0|3,0,0]=4 735 B11R2.385 c1nnc(o1)COC2CC2 084647ca412ba79801fb9aa0e794c4fa [0,0,0,1,0,0|2,1,0]=4 736 B11R2.385 c1noc(n1)COC2CC2 07c1350492cc1665dfda26db2f9e94c2 [0,0,0,1,0,0|2,1,0]=4 737 B9R1.13 CC(C)CN1CC=CC1 0159c45440890eddec53e955480c9179 [0,0,0,0,1,0|2,0,1]=4 738 B9R1.13 CC(C)Nc1cc[nH]n1 be6d410d3568f9605b2c6d8df650a613 [0,0,0,0,1,0|3,0,0]=4 739 B9R1.13 CC(C)Nc1ccno1 2159316ddf4b6c3bfafa9dd18aed231b [0,0,0,0,1,0|2,0,0]=3 740 B9R1.13 CC(C)Nc1ccns1 714dd1d20ea7ef80db82985f3609938e [0,0,0,0,1,0|2,1,0]=4 741 B9R1.13 CC(C)Nc1ccon1 4748af366c19db24727ab88e6ed6e4f0 [0,0,0,0,1,0|3,0,0]=4 742 B9R1.13 CC(C)Nc1ccsc1 15ad6ed6958067724a7a26e61257254b [0,0,0,0,1,0|3,0,0]=4 743 B9R1.13 CC(C)Nc1cncs1 52121261cabe3794162f74d6b81b293a [0,0,0,0,1,0|2,1,0]=4 744 B9R1.13 CC(C)Nc1cocn1 5323ffea4d50273bd659bd73d5f477ee [0,0,0,0,1,0|3,0,0]=4 745 B9R1.13 CC(C)Nc1cscn1 80c72724b05cb5c849b1b06a3e5845c5 [0,0,0,0,1,0|3,0,0]=4 746 B9R1.13 CC(C)Nc1ncc[nH]1 8d05845695c8fb7502c2af4756268830 [0,0,0,0,1,0|3,0,0]=4 747 B9R1.13 CC(C)Nc1ncco1 fcd0fac8f92d9b0f4549470280738971 [0,0,0,0,1,0|2,0,0]=3 748 B9R1.13 CC(C)Nc1nccs1 a7ef9a363e91d5ff572edca29e81d493 [0,0,0,0,1,0|2,1,0]=4 749 B9R1.13 CC(C)Oc1c[nH]cn1 1008314a7152167f871b01e8884baa4b [0,0,0,0,1,0|2,1,0]=4 750 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [0,0,0,0,1,0|0,1,0]=2 751 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [0,0,0,0,1,0|0,2,0]=3 752 B9R1.13 CC(C)Oc1ccn[nH]1 53c884ecb33b778652e01026b1e95972 [0,0,0,0,1,0|2,1,0]=4 753 B9R1.13 CC(C)Oc1ccsc1 6ccbd5cefe1aa53d8fe97e89f11c7215 [0,0,0,0,1,0|2,1,0]=4 754 B9R1.13 CC(C)Oc1nccs1 6b7fdf51a80ea2ae8353cabc54ee22f1 [0,0,0,0,1,0|1,2,0]=4 755 B9R1.13 CC(C)On1cccn1 485d56731527e6acaf37f4f9b0b2879e [0,0,0,0,1,0|2,1,0]=4 756 B11R1.91 CC(C)CNc1ccccc1 408d8a64ab70f9eca096d81d546b6049 [0,0,0,0,0,1|3,0,0]=4 757 B11R1.91 CC(C)CNc1ccccn1 7b009ca04377ecc13f70ec3cf4ebfeda [0,0,0,0,0,1|3,0,0]=4 758 B11R1.91 CC(C)CNc1cccnc1 872c17275baf8dfc3e3fcfc1c6e8b0aa [0,0,0,0,0,1|3,0,0]=4 759 B11R1.91 CC(C)CNc1cccnn1 6e0a186ee92f69845b1d1e2faa4b9d99 [0,0,0,0,0,1|3,0,0]=4 760 B11R1.91 CC(C)CNc1ccncc1 25b00c7dc1cdd402497940b3c77292de [0,0,0,0,0,1|3,0,0]=4 761 B11R1.91 CC(C)CNc1ccncn1 f3aaf01b8fb4390cec4d8d0c307de117 [0,0,0,0,0,1|3,0,0]=4 762 B11R1.91 CC(C)CNc1cnccn1 95ddfe6d68910c614f0cbdfaa85d0133 [0,0,0,0,0,1|3,0,0]=4 763 B11R1.91 CC(C)CNc1ncccn1 fb6ae2e310931ddbda6cf67796620c38 [0,0,0,0,0,1|3,0,0]=4 764 B11R1.91 CC(C)COc1ccccn1 7b0823f232ca75667ab72b773cf2055c [0,0,0,0,0,1|3,0,0]=4 765 B11R1.91 CC(C)COc1cccnc1 639764ab0bac28311f80a0c1092bb51e [0,0,0,0,0,1|3,0,0]=4 766 B11R1.91 CC(C)COc1ccncc1 f219312091f37b23472c98e305cf03a6 [0,0,0,0,0,1|3,0,0]=4 767 B11R1.91 CC(C)COc1cnccn1 fca5516fc8fc749e126db826ec1364f8 [0,0,0,0,0,1|3,0,0]=4 768 B11R1.91 CC(C)COc1ncccn1 1f457fce7df81ae19e8aadca0db78537 [0,0,0,0,0,1|3,0,0]=4 769 B11R1.91 CC(C)NCc1ccccc1 60272e3c9303882f29d21331dcab1491 [0,0,0,0,0,1|2,0,0]=3 770 B11R1.91 CC(C)NCc1ccccn1 856545f5d02de0038284fed0716bf52b [0,0,0,0,0,1|2,0,0]=3 771 B11R1.91 CC(C)NCc1cccnc1 f83c1668bc1a0795e6062eecd9dab4fd [0,0,0,0,0,1|2,0,0]=3 772 B11R1.91 CC(C)NCc1cccnn1 cccaf60f16873524c6ada28e623ee50e [0,0,0,0,0,1|2,0,0]=3 773 B11R1.91 CC(C)NCc1ccncc1 6f1dfa66543bb67ac78a3a333bf46a66 [0,0,0,0,0,1|2,0,0]=3 774 B11R1.91 CC(C)NCc1ccncn1 36ee71268b7fc037f6d2456244279a98 [0,0,0,0,0,1|2,0,0]=3 775 B11R1.91 CC(C)NCc1ccnnc1 98a9968a20acdc964ac10c028e00eec7 [0,0,0,0,0,1|3,0,0]=4 776 B11R1.91 CC(C)NCc1cnccn1 320d7f2d7b3c9da90f951a37d43af864 [0,0,0,0,0,1|2,0,0]=3 777 B11R1.91 CC(C)NCc1ncccn1 248c6dc0e3f7cb9e6cb68053e65f796a [0,0,0,0,0,1|2,0,0]=3 778 B11R1.91 CC(C)OCC1=CCCCO1 801fdc59cfe0bebcbf8f8835b125fe54 [0,0,0,0,0,1|0,1,2]=4 779 B11R1.91 CC(C)OCC1CCC=CO1 d6ae527273d8e5263389f9c8f7f93d00 [0,0,0,0,0,1|0,1,2]=4 780 B11R1.91 CC(C)OCc1ccccc1 7aa508df1117d05227b589ad5630d192 [0,0,0,0,0,1|1,1,0]=3 781 B11R1.91 CC(C)OCc1ccccn1 0763eb944dcd10bf40a6049a3281f0fa [0,0,0,0,0,1|1,1,0]=3 782 B11R1.91 CC(C)OCc1cccnc1 15bee2bbdfea4851383d51503cc56958 [0,0,0,0,0,1|1,1,0]=3 783 B11R1.91 CC(C)OCc1cccnn1 9e75df7bf42bec5daa46f121cb3b2fee [0,0,0,0,0,1|1,1,0]=3 784 B11R1.91 CC(C)OCc1ccncc1 6b799cfffcfa8445d7523666b8d1a250 [0,0,0,0,0,1|1,1,0]=3 785 B11R1.91 CC(C)OCc1ccncn1 8ca6a7835eff3f310e3286485f2bc8a3 [0,0,0,0,0,1|1,1,0]=3 786 B11R1.91 CC(C)OCc1ccnnc1 9f4405a184896ebf514498f5e77701bf [0,0,0,0,0,1|2,1,0]=4 787 B11R1.91 CC(C)OCc1cnccn1 e68303144f36400499d51e9b07ed6d5f [0,0,0,0,0,1|1,1,0]=3 788 B11R1.91 CC(C)OCc1cncnc1 0b9844eb4d847bf9172813d1bb5440e6 [0,0,0,0,0,1|2,1,0]=4 789 B11R1.91 CC(C)OCc1ncccn1 38d74e076887ffaed244a2918ea05836 [0,0,0,0,0,1|1,1,0]=3 790 B11R1.172 C/C(=C/COc1ccco1)/I e7a7256bf0611df4a720252c02faadf1 [0,0,0,0,0,1|2,0,1]=4 791 B11R1.172 C/C(=C\COc1ccco1)/Cl 793a2f5d7b618d01d0ab06f1214f9f54 [0,0,0,0,0,1|2,0,1]=4 792 B11R1.172 C=C(C)CCNc1ccco1 d13ab3139578804f2db3f1bc827b21b8 [0,0,0,0,0,1|1,0,2]=4 793 B11R1.172 C=C(C)CCOc1ccco1 b5bfa72618728008bf7e5b105d505c14 [0,0,0,0,0,1|1,0,2]=4 794 B11R1.172 C=C(C)CNCc1ccco1 b8e84244edcb166dae9a2b7d3f4218dd [0,0,0,0,0,1|1,0,2]=4 795 B11R1.172 C=C(C)COCc1ccco1 ee5f525ea9421d6d2e16283e93cac648 [0,0,0,0,0,1|0,1,2]=4 796 B11R1.172 CC(=CCNc1ccco1)C facc7eca3dfd08a12a25c74be92a3245 [0,0,0,0,0,1|1,0,1]=3 797 B11R1.172 CC(=CCNc1cccs1)C 4bab43296fbe95b51c2395cb2d46dd83 [0,0,0,0,0,1|1,1,1]=4 798 B11R1.172 CC(=CCNc1ccno1)C a762b9e8172785f31af0e7a6de34d4a5 [0,0,0,0,0,1|2,0,1]=4 799 B11R1.172 CC(=CCNc1ncco1)C e4743e390db7b18aafbc9e22ad5dce22 [0,0,0,0,0,1|2,0,1]=4 800 B11R1.172 CC(=CCOc1ccco1)C 143f223a2771e7d2e271b2ebb556a34d [0,0,0,0,0,1|1,0,1]=3 801 B11R1.172 CC(=CCOc1ccco1)Cl f90b16e48a4ad6694cf3c5ebb6dba78f [0,0,0,0,0,1|2,0,1]=4 802 B11R1.172 CC(=CCOc1ccco1)I a8b941715521049c9f90a0e42181334c [0,0,0,0,0,1|2,0,1]=4 803 B11R1.172 CC(=CCOc1cccs1)C 533b2b7ba40d63d053cdf6d03daff217 [0,0,0,0,0,1|1,1,1]=4 804 B11R1.172 CC(=O)CCOc1ccco1 1304331aa569973df701f4c541cd36f9 [0,0,0,0,0,1|2,0,1]=4 805 B11R1.172 CC(=O)CNCc1ccco1 5349a004945f22466223fdea062b1a26 [0,0,0,0,0,1|2,0,1]=4 806 B11R1.172 CC(=O)COCc1ccco1 eb376918d478215b7784a307211ac4b9 [0,0,0,0,0,1|1,1,1]=4 807 B11R1.172 CC(=O)NCCc1ccco1 f97fcd1be9cacf4675351753b4b97ccf [0,0,0,0,0,1|2,0,1]=4 808 B11R1.172 CC(=O)OCOc1ccco1 18a8842f6bf66d2e01121a7a178b294d [0,0,0,0,0,1|1,1,1]=4 809 B11R1.172 CC(C)CCNc1c[nH]cn1 7ae04c4a3f44fe3217857895da9d7971 [0,0,0,0,0,1|3,0,0]=4 810 B11R1.172 CC(C)CCNc1cc[nH]n1 c4f7f5af6881a43dfe0f27811cba86ba [0,0,0,0,0,1|3,0,0]=4 811 B11R1.172 CC(C)CCNc1ccco1 0e041b2f4b640f51ce49397377a10223 [0,0,0,0,0,1|1,0,0]=2 812 B11R1.172 CC(C)CCNc1cccs1 b29fb4c479a2f9ae2c76659a475dd1e2 [0,0,0,0,0,1|1,1,0]=3 813 B11R1.172 CC(C)CCNc1ccno1 3d49b3a1aa51156511680943bc45cc21 [0,0,0,0,0,1|2,0,0]=3 814 B11R1.172 CC(C)CCNc1ccns1 a0e1712dc00a1679b2581c39df297134 [0,0,0,0,0,1|2,1,0]=4 815 B11R1.172 CC(C)CCNc1ccoc1 7ebe9b14796b4c217c38dc26f6fec162 [0,0,0,0,0,1|3,0,0]=4 816 B11R1.172 CC(C)CCNc1ccon1 0892a67cd95a19f3fad96d24db1b5363 [0,0,0,0,0,1|3,0,0]=4 817 B11R1.172 CC(C)CCNc1ccsc1 b1936e67b0f711f22daf46cd19cf1f7b [0,0,0,0,0,1|3,0,0]=4 818 B11R1.172 CC(C)CCNc1cncs1 959908c9ae3a5fade0a1447ac064efe8 [0,0,0,0,0,1|2,1,0]=4 819 B11R1.172 CC(C)CCNc1cocn1 bfea655ed1575f1b0dd1ca89604103c2 [0,0,0,0,0,1|3,0,0]=4 820 B11R1.172 CC(C)CCNc1cscn1 c8a2387e0a0065f8cb937b99e1077f71 [0,0,0,0,0,1|3,0,0]=4 821 B11R1.172 CC(C)CCNc1ncc[nH]1 be5a7158985d2b330535a065f4a3be64 [0,0,0,0,0,1|3,0,0]=4 822 B11R1.172 CC(C)CCNc1ncco1 8fa04247aab3e66a2755473ad1724e74 [0,0,0,0,0,1|2,0,0]=3 823 B11R1.172 CC(C)CCNc1nccs1 b1bb0da2418fff61f8b73320cc1c0a4b [0,0,0,0,0,1|2,1,0]=4 824 B11R1.172 CC(C)CCNc1nnco1 cbe793eff4abfd6e6afa4b39bc8e00bd [0,0,0,0,0,1|3,0,0]=4 825 B11R1.172 CC(C)CCOc1c[nH]cn1 9e5c4f69ca08c5d42944d2ec9516f86a [0,0,0,0,0,1|3,0,0]=4 826 B11R1.172 CC(C)CCOc1ccco1 8d841360fc8b7eeb8a9816f92abe8dd7 [0,0,0,0,0,1|1,0,0]=2 827 B11R1.172 CC(C)CCOc1cccs1 06337048459e9830423ea92a8c3a7917 [0,0,0,0,0,1|1,1,0]=3 828 B11R1.172 CC(C)CCOc1ccn[nH]1 3d7241eb1277ba08ac640d47b36e7110 [0,0,0,0,0,1|3,0,0]=4 829 B11R1.172 CC(C)CCOc1ccsc1 9ce5b490ff0614ff8e34f5809b096b0e [0,0,0,0,0,1|3,0,0]=4 830 B11R1.172 CC(C)CCOc1nccs1 e16583ace1d8b9ff1e24d5ae20e14243 [0,0,0,0,0,1|2,1,0]=4 831 B11R1.172 CC(C)CCOn1cccn1 95fe1279c7ee57fa23644ca2bf29f2da [0,0,0,0,0,1|3,0,0]=4 832 B11R1.172 CC(C)CNCc1cc[nH]c1 cc846d9e1d89b6014f7bfe04355228b4 [0,0,0,0,0,1|3,0,0]=4 833 B11R1.172 CC(C)CNCc1ccc[nH]1 bd3755f5e4d405dc3cb2b6dadc26391b [0,0,0,0,0,1|2,0,0]=3 834 B11R1.172 CC(C)CNCc1ccco1 1b61b056633b02c6b253717bdc3f6b4e [0,0,0,0,0,1|1,0,0]=2 835 B11R1.172 CC(C)CNCc1cccs1 5df1be8740ff9b60507f6e6c6139b4e1 [0,0,0,0,0,1|1,1,0]=3 836 B11R1.172 CC(C)CNCc1ccn[nH]1 affead81b3e7dc28ab5eebf73cd7182a [0,0,0,0,0,1|3,0,0]=4 837 B11R1.172 CC(C)CNCc1ccno1 ec7666b49f70d02955d63e6f3ab44b34 [0,0,0,0,0,1|2,0,0]=3 838 B11R1.172 CC(C)CNCc1ccns1 4b3a6fb03134c08923a2faf92b27591e [0,0,0,0,0,1|2,1,0]=4 839 B11R1.172 CC(C)CNCc1ccoc1 abdce0e0b6e3e9e183851a8f16b7972b [0,0,0,0,0,1|3,0,0]=4 840 B11R1.172 CC(C)CNCc1ccon1 05c603c24cb56ebe1cf6a9f48742bfc3 [0,0,0,0,0,1|3,0,0]=4 841 B11R1.172 CC(C)CNCc1ccsc1 e375da7936875e25995a75a273cb508f [0,0,0,0,0,1|3,0,0]=4 842 B11R1.172 CC(C)CNCc1ccsn1 8a1d893d693a0ae0935cdbca0b629c66 [0,0,0,0,0,1|3,0,0]=4 843 B11R1.172 CC(C)CNCc1cnc[nH]1 5d4a4a4cefe01e5406004c925b3ccea7 [0,0,0,0,0,1|3,0,0]=4 844 B11R1.172 CC(C)CNCc1cnco1 618ab552ed0ff021fb25d8ea827e0799 [0,0,0,0,0,1|2,0,0]=3 845 B11R1.172 CC(C)CNCc1cncs1 badf35925713ac7c077fce8bc89f8d75 [0,0,0,0,0,1|2,1,0]=4 846 B11R1.172 CC(C)CNCc1cocn1 d473fdf953f5dcc481e81f7f468b8658 [0,0,0,0,0,1|3,0,0]=4 847 B11R1.172 CC(C)CNCc1cscn1 9f98f81de7b76a6b06052361c46a0b95 [0,0,0,0,0,1|3,0,0]=4 848 B11R1.172 CC(C)CNCc1ncc[nH]1 f10597b04f80aa8c8deacce451617a7f [0,0,0,0,0,1|3,0,0]=4 849 B11R1.172 CC(C)CNCc1ncco1 47599f932c2b2b8dc110466137871c15 [0,0,0,0,0,1|2,0,0]=3 850 B11R1.172 CC(C)CNCc1nccs1 35ee93ab0f27b94e170825e886d2ea02 [0,0,0,0,0,1|2,1,0]=4 851 B11R1.172 CC(C)CNCc1nnco1 dfd88e4e5a2c74261aba06715ce8189a [0,0,0,0,0,1|3,0,0]=4 852 B11R1.172 CC(C)COCc1cc[nH]c1 d32a56aaff287a7a2d3ee05c33df49e4 [0,0,0,0,0,1|2,1,0]=4 853 B11R1.172 CC(C)COCc1ccc[nH]1 5a8c3097a96460e302a65efef3ee13ad [0,0,0,0,0,1|1,1,0]=3 854 B11R1.172 CC(C)COCc1ccco1 99062e49951b35e6277ae5df50b7eb8b [0,0,0,0,0,1|0,1,0]=2 855 B11R1.172 CC(C)COCc1cccs1 9d12584da4da3768cc88ad1ee50f3323 [0,0,0,0,0,1|0,2,0]=3 856 B11R1.172 CC(C)COCc1ccn[nH]1 e47f364175ee53cc14f3483444b70ffa [0,0,0,0,0,1|2,1,0]=4 857 B11R1.172 CC(C)COCc1ccno1 0240489bbad69062b38605a77d2eed04 [0,0,0,0,0,1|1,1,0]=3 858 B11R1.172 CC(C)COCc1ccns1 dbc3eeb5413352157e960502950ef46e [0,0,0,0,0,1|1,2,0]=4 859 B11R1.172 CC(C)COCc1ccoc1 f9f3dacca4368645a18802fe7b1f131d [0,0,0,0,0,1|2,1,0]=4 860 B11R1.172 CC(C)COCc1ccon1 a7a2fc37ea8a558c0c8328c30627fcda [0,0,0,0,0,1|2,1,0]=4 861 B11R1.172 CC(C)COCc1ccsc1 5f9ec88250d33adb77f1a6ab8ef0f92a [0,0,0,0,0,1|2,1,0]=4 862 B11R1.172 CC(C)COCc1ccsn1 ad886a34784e0e09bff30c01ee6a080b [0,0,0,0,0,1|2,1,0]=4 863 B11R1.172 CC(C)COCc1cnc[nH]1 7559beef0a5fa47347df79ea01f4a275 [0,0,0,0,0,1|2,1,0]=4 864 B11R1.172 CC(C)COCc1cnco1 03c178efb92149ff599fbbc26d9d2261 [0,0,0,0,0,1|1,1,0]=3 865 B11R1.172 CC(C)COCc1cncs1 12f1980c50c6a3efa6c456e1da3cfed8 [0,0,0,0,0,1|1,2,0]=4 866 B11R1.172 CC(C)COCc1cocn1 3477ea232e124e6f2045b520de137047 [0,0,0,0,0,1|2,1,0]=4 867 B11R1.172 CC(C)COCc1cscn1 32993c89feb07607d6a9d27cd4988da3 [0,0,0,0,0,1|2,1,0]=4 868 B11R1.172 CC(C)COCc1ncc[nH]1 7fbb1ae0ca2c1b3f95efb21fb2e3c7fa [0,0,0,0,0,1|2,1,0]=4 869 B11R1.172 CC(C)COCc1ncco1 987d59bd6b526214c9dfc70588ee37f2 [0,0,0,0,0,1|1,1,0]=3 870 B11R1.172 CC(C)COCc1nccs1 79e37879de0795b0ec50770976898442 [0,0,0,0,0,1|1,2,0]=4 871 B11R1.172 CC(C)COCc1ncno1 e204d51af366c6b1a000f3b1d6e6c1f6 [0,0,0,0,0,1|2,1,0]=4 872 B11R1.172 CC(C)COCc1nnco1 f2dec01845322df1f003746f708b3fc2 [0,0,0,0,0,1|2,1,0]=4 873 B11R1.172 CC(C)COCn1cccn1 3a7d10593f54869b931fa8d834e14cbd [0,0,0,0,0,1|2,1,0]=4 874 B11R1.172 CC(C)NCCc1c[nH]cn1 d9b1093684083398f09b2bcc7c136d3f [0,0,0,0,0,1|3,0,0]=4 875 B11R1.172 CC(C)NCCc1cc[nH]n1 19f8bfea33503f6d301578a663802f79 [0,0,0,0,0,1|3,0,0]=4 876 B11R1.172 CC(C)NCCc1ccc[nH]1 2373d6633e894ab6620732174fbf2348 [0,0,0,0,0,1|2,0,0]=3 877 B11R1.172 CC(C)NCCc1ccco1 f5a48b9013a3de5311256701c81ca609 [0,0,0,0,0,1|1,0,0]=2 878 B11R1.172 CC(C)NCCc1ccsc1 635101e28400fe3ec9e545656df9f636 [0,0,0,0,0,1|3,0,0]=4 879 B11R1.172 CC(C)NCCc1cscn1 8268b8eefd70916f6371029db98c0cad [0,0,0,0,0,1|3,0,0]=4 880 B11R1.172 CC(C)NCCc1ncc[nH]1 a69741db26734503d0ab0defbe57728b [0,0,0,0,0,1|3,0,0]=4 881 B11R1.172 CC(C)NCCc1nccs1 22245f012db5b34cbd3c6d6fbc31907a [0,0,0,0,0,1|2,1,0]=4 882 B11R1.172 CC(C)NCCn1cccc1 3f8b4596f98c55810820db0b27d21631 [0,0,0,0,0,1|3,0,0]=4 883 B11R1.172 CC(C)NCCn1cccn1 d6b7145559ee08162a45046e431411c0 [0,0,0,0,0,1|3,0,0]=4 884 B11R1.172 CC(C)OCCc1c[nH]cn1 afa4852823a31685051d73ac8913effc [0,0,0,0,0,1|2,1,0]=4 885 B11R1.172 CC(C)OCCc1cc[nH]n1 e689d5d9c86bbb9489a6e9aebb82f3ec [0,0,0,0,0,1|2,1,0]=4 886 B11R1.172 CC(C)OCCc1ccc[nH]1 b795ec8b9482be4f91d31fc84cdf4434 [0,0,0,0,0,1|1,1,0]=3 887 B11R1.172 CC(C)OCCc1ccco1 e7f3ba800a326f72fff6110f1619a3df [0,0,0,0,0,1|0,1,0]=2 888 B11R1.172 CC(C)OCCc1cccs1 2146c5876f28335c6af6107c79243d30 [0,0,0,0,0,1|0,2,0]=3 889 B11R1.172 CC(C)OCCc1ccon1 6edfaca2055ed03eccf5f2973cbbe579 [0,0,0,0,0,1|2,1,0]=4 890 B11R1.172 CC(C)OCCc1ccsc1 49bd09b63533e3db912f0818d987b581 [0,0,0,0,0,1|2,1,0]=4 891 B11R1.172 CC(C)OCCc1cscn1 fc1cb18e419ffcc961dd1ccb5c250885 [0,0,0,0,0,1|2,1,0]=4 892 B11R1.172 CC(C)OCCc1ncc[nH]1 092da5d9821e201f2d60de4bed55e682 [0,0,0,0,0,1|2,1,0]=4 893 B11R1.172 CC(C)OCCc1nccs1 b595e721a30a74a4fc888d5c50af8b58 [0,0,0,0,0,1|1,2,0]=4 894 B11R1.172 CC(C)OCCn1cccc1 1c91ae9527fd65aa47ad054313c29fd4 [0,0,0,0,0,1|2,1,0]=4 895 B11R1.172 CC(C)OCCn1cccn1 0ee9b02b4e9d97cd3287fcf0c1cb0894 [0,0,0,0,0,1|2,1,0]=4 896 B11R1.172 CC(C)OCNc1cc[nH]n1 6ff3f6c01383c9d7c2da8ffbbb7929b5 [0,0,0,0,0,1|2,1,0]=4 897 B11R1.172 CC(C)OCNc1cccs1 902f5dfae26fa45a66ff6d07ce82312e [0,0,0,0,0,1|0,2,0]=3 898 B11R1.172 CC(C)OCNc1ccno1 49dcb4e9d1bca6df182ee82a68c75c25 [0,0,0,0,0,1|1,1,0]=3 899 B11R1.172 CC(C)OCNc1ccns1 b9b52f8d81ea386e5592606e3e9a46aa [0,0,0,0,0,1|1,2,0]=4 900 B11R1.172 CC(C)OCNc1ccon1 a0b3067d5d2ee88bf183e1f188740424 [0,0,0,0,0,1|2,1,0]=4 901 B11R1.172 CC(C)OCNc1ccsc1 cb8dba2e1ff25b92ea3b5285c1d9d3df [0,0,0,0,0,1|2,1,0]=4 902 B11R1.172 CC(C)OCNc1cncs1 a0dd8c8f45695acb719c896188da9438 [0,0,0,0,0,1|1,2,0]=4 903 B11R1.172 CC(C)OCNc1cocn1 2756fa033cee17b624a7b05aa4f13223 [0,0,0,0,0,1|2,1,0]=4 904 B11R1.172 CC(C)OCNc1cscn1 c14312cfd90915bc8bd4e81200a05ef6 [0,0,0,0,0,1|2,1,0]=4 905 B11R1.172 CC(C)OCNc1ncc[nH]1 ff30cfe0ff87efc2ffa009bdc7baf880 [0,0,0,0,0,1|2,1,0]=4 906 B11R1.172 CC(C)OCNc1ncco1 ca14dd3905a1c7ebfc9a4264a20c133a [0,0,0,0,0,1|1,1,0]=3 907 B11R1.172 CC(C)OCNc1nccs1 a75e5c90d2cd45d9da29d818883d0642 [0,0,0,0,0,1|1,2,0]=4 908 B11R1.172 CC(C)OCNc1nnco1 cddce1d3ae510464d3bfcb859394c222 [0,0,0,0,0,1|2,1,0]=4 909 B11R1.172 CC(C)OCOc1c[nH]cn1 a11a2c20d65e431dd1c2dddeea05e4ee [0,0,0,0,0,1|2,1,0]=4 910 B11R1.172 CC(C)OCOc1ccco1 94ef49e4a6ce8f3dd52623eab2ad6e1b [0,0,0,0,0,1|0,1,0]=2 911 B11R1.172 CC(C)OCOc1cccs1 795d0875cdce427bfb4649eb2c81626f [0,0,0,0,0,1|0,2,0]=3 912 B11R1.172 CC(C)OCOc1ccn[nH]1 3553e758517d664aa7cc5489e7d3841d [0,0,0,0,0,1|2,1,0]=4 913 B11R1.172 CC(C)OCOc1ccsc1 3a448eb43c8b0f0994a2540334bafbb5 [0,0,0,0,0,1|2,1,0]=4 914 B11R1.172 CC(C)OCOc1nccs1 e009419124abcbb13730166c83652e6a [0,0,0,0,0,1|1,2,0]=4 915 B11R1.172 CC(C)OCOn1cccn1 4a4cf3fc833c98f305aece64457b803d [0,0,0,0,0,1|2,1,0]=4 916 B11R1.172 CC(C)SCCN1CC=CC1 960462ffab812cebe58bed1f0152280b [0,0,0,0,0,1|2,0,1]=4 917 B11R1.172 CC(F)COCc1ccco1 d0f129770505d2aafab7a0041834f6ad [0,0,0,0,0,1|1,1,0]=3 918 B11R1.172 CC(F)COCc1cccs1 9035fc746e51d6905252026e3e6a2ce5 [0,0,0,0,0,1|1,2,0]=4 919 B11R1.172 CC(F)COCc1ccno1 44418fdafb4a14e1012fc711a7e87b14 [0,0,0,0,0,1|2,1,0]=4 920 B11R1.172 CC(F)COCc1ncco1 1cc8ad32765f9ff8b40b65ece9c952d3 [0,0,0,0,0,1|2,1,0]=4 921 B11R1.172 CC(O)CCNc1cccs1 2be6abdeb25e1a613e3824969dae5a95 [0,0,0,0,0,1|2,1,0]=4 922 B11R1.172 CC(O)CCNc1ccno1 af79f95f42d3f2cf9e2dbe19ca249fe0 [0,0,0,0,0,1|3,0,0]=4 923 B11R1.172 CC(O)CCNc1ncco1 75c6c0c1bbfd1b91cfc8b463b8b7c775 [0,0,0,0,0,1|3,0,0]=4 924 B11R1.172 CC(O)CNCc1ccc[nH]1 65c95582f301464d7f62eb60cd967e76 [0,0,0,0,0,1|3,0,0]=4 925 B11R1.172 CC(O)CNCc1ccco1 dba85ac96ca60610e6077e0d05d62bcd [0,0,0,0,0,1|2,0,0]=3 926 B11R1.172 CC(O)CNCc1cccs1 18715149f7e8e0c045513c4ae4cdb762 [0,0,0,0,0,1|2,1,0]=4 927 B11R1.172 CC(O)CNCc1ccno1 ee7152997d429ab71094442ec3281ac6 [0,0,0,0,0,1|3,0,0]=4 928 B11R1.172 CC(O)CNCc1cnco1 e851d7760cd9bd31b38589d96d88412b [0,0,0,0,0,1|3,0,0]=4 929 B11R1.172 CC(O)CNCc1ncco1 0562076b9ae6905bdb5dfa09c4b727bb [0,0,0,0,0,1|3,0,0]=4 930 B11R1.172 CC(S)COCc1ccco1 64d0adfb42f5538807c786da49eb2388 [0,0,0,0,0,1|1,1,0]=3 931 B11R1.172 CC(S)COCc1cccs1 d767ed87ab446f6cba115b5caffd9073 [0,0,0,0,0,1|1,2,0]=4 932 B11R1.172 CC(S)COCc1ccno1 0389b2c7ceac5655f4dc390cb93330e8 [0,0,0,0,0,1|2,1,0]=4 933 B11R1.172 CC(S)COCc1ncco1 9fb9d360e3ff34cc641550b20da5e1b5 [0,0,0,0,0,1|2,1,0]=4 934 B11R1.172 CN(C)CCNc1ccco1 9c4c9a92fc72f7218aa7192da3b54150 [0,0,0,0,0,1|2,0,0]=3 935 B11R1.172 CN(C)CCNc1cccs1 b3dda5c39622e8e849a416ecc7974b85 [0,0,0,0,0,1|2,1,0]=4 936 B11R1.172 CN(C)CCNc1ccno1 968cc79b64899b4f94f5d22265865a9d [0,0,0,0,0,1|3,0,0]=4 937 B11R1.172 CN(C)CCNc1ncco1 58303938a41d42d6e262931f504700de [0,0,0,0,0,1|3,0,0]=4 938 B11R1.172 CN(C)CCOc1ccco1 7522b649958b5b49c4aef79351655606 [0,0,0,0,0,1|2,0,0]=3 939 B11R1.172 CN(C)CCOc1cccs1 21950004eab0b0dc603b8265e2dadec8 [0,0,0,0,0,1|2,1,0]=4 940 B11R1.172 CN(C)CNCc1ccc[nH]1 d0057a45106db506452023e252adb86f [0,0,0,0,0,1|3,0,0]=4 941 B11R1.172 CN(C)CNCc1ccco1 46aa4a5e6d23aa3ba85f84bccf917361 [0,0,0,0,0,1|2,0,0]=3 942 B11R1.172 CN(C)CNCc1cccs1 b2cae0a2ff103ea65ee46b9a0eb0d352 [0,0,0,0,0,1|2,1,0]=4 943 B11R1.172 CN(C)CNCc1ccno1 b2912cb5e2bda899cc7e488a185e1402 [0,0,0,0,0,1|3,0,0]=4 944 B11R1.172 CN(C)CNCc1cnco1 2b6bf2c9dfd4b6ee5912a32ff4d823ba [0,0,0,0,0,1|3,0,0]=4 945 B11R1.172 CN(C)CNCc1ncco1 f565d233763e3c6713baea89ece3bba6 [0,0,0,0,0,1|3,0,0]=4 946 B11R1.172 CN(C)COCc1ccc[nH]1 68520dbaa8d6b807fce04cdd8301363f [0,0,0,0,0,1|2,1,0]=4 947 B11R1.172 CN(C)COCc1ccco1 df03d7b24780c6fad8a058d77a006c79 [0,0,0,0,0,1|1,1,0]=3 948 B11R1.172 CN(C)COCc1ccno1 5ca2500858de391768d7dad3cdc50512 [0,0,0,0,0,1|2,1,0]=4 949 B11R1.172 CN(C)COCc1ncco1 c904e19e7b1d3669be9b8ed3c6f8d344 [0,0,0,0,0,1|2,1,0]=4 950 B11R1.172 CS(=O)CCNc1ccco1 b5c41bf9a4c4b4784e62738332f55e27 [0,0,0,0,0,1|3,0,0]=4 951 B11R1.172 CS(=O)CCOc1ccco1 ebae9dbe7878c9e08d546f06556993fc [0,0,0,0,0,1|3,0,0]=4 952 B11R1.172 C[C@@H](F)COCc1ccco1 d6b942e64f19e537e65fb887839c99a6 [0,0,0,0,0,1|1,1,0]=3 953 B11R1.172 C[C@@H](F)COCc1cccs1 39fbb95f05fba443250a39ac0e069ade [0,0,0,0,0,1|1,2,0]=4 954 B11R1.172 C[C@@H](F)COCc1ccno1 434773d054dbc890d5f56bea6b239add [0,0,0,0,0,1|2,1,0]=4 955 B11R1.172 C[C@@H](F)COCc1ncco1 02e16fa5daad205df453af1bc3af671e [0,0,0,0,0,1|2,1,0]=4 956 B11R1.172 C[C@@H](O)CCNc1cccs1 4f802c737665298fc909b0e83238e6ea [0,0,0,0,0,1|2,1,0]=4 957 B11R1.172 C[C@@H](O)CCNc1ncco1 526ef39734d38458711916f690fcc4eb [0,0,0,0,0,1|3,0,0]=4 958 B11R1.172 C[C@@H](O)CNCc1ccc[nH]1 66008730529aa8d24f63c6ffa76df555 [0,0,0,0,0,1|3,0,0]=4 959 B11R1.172 C[C@@H](O)CNCc1ccco1 63796111ed16563c371374fd22b9d739 [0,0,0,0,0,1|2,0,0]=3 960 B11R1.172 C[C@@H](O)CNCc1cccs1 8182a9769f3affdaa5bb920d0c744883 [0,0,0,0,0,1|2,1,0]=4 961 B11R1.172 C[C@@H](O)CNCc1ccno1 4c5edf730b598d39a0d4b8d048dcfc5e [0,0,0,0,0,1|3,0,0]=4 962 B11R1.172 C[C@@H](O)CNCc1cnco1 79694a63bc40490b59699b70b39d83b0 [0,0,0,0,0,1|3,0,0]=4 963 B11R1.172 C[C@@H](O)CNCc1ncco1 ea80babeca0e0c2328d044882241967c [0,0,0,0,0,1|3,0,0]=4 964 B11R1.172 C[C@H](F)COCc1ccco1 fbf7bd3431d8f8c5f513c23259a8679a [0,0,0,0,0,1|1,1,0]=3 965 B11R1.172 C[C@H](F)COCc1cccs1 a5ac52ecaa06dd8381bf8a23ee830366 [0,0,0,0,0,1|1,2,0]=4 966 B11R1.172 C[C@H](F)COCc1ccno1 8da00859c0911312d34476129ed13674 [0,0,0,0,0,1|2,1,0]=4 967 B11R1.172 C[C@H](F)COCc1ncco1 fab287dfcf2bff821b220f823828cdba [0,0,0,0,0,1|2,1,0]=4 968 B11R1.172 C[C@H](O)CCNc1cccs1 3016d239b47ebdea25cc9af11da7d6d7 [0,0,0,0,0,1|2,1,0]=4 969 B11R1.172 C[C@H](O)CCNc1ncco1 709c6b7cefae01bfa99646d96c43c28e [0,0,0,0,0,1|3,0,0]=4 970 B11R1.172 C[C@H](O)CNCc1ccc[nH]1 616d8946b697237869f21f091970eb52 [0,0,0,0,0,1|3,0,0]=4 971 B11R1.172 C[C@H](O)CNCc1ccco1 14b70b5b444307109cbe8cf07983b605 [0,0,0,0,0,1|2,0,0]=3 972 B11R1.172 C[C@H](O)CNCc1cccs1 e5211f0f37be1102ed21362e3ecf1a4a [0,0,0,0,0,1|2,1,0]=4 973 B11R1.172 C[C@H](O)CNCc1ccno1 dc4baacaafc63e9e99cb99bc4d2ab16f [0,0,0,0,0,1|3,0,0]=4 974 B11R1.172 C[C@H](O)CNCc1cnco1 2c368f33904154effa042cef0fabed95 [0,0,0,0,0,1|3,0,0]=4 975 B11R1.172 C[C@H](O)CNCc1ncco1 fbb74fa32e6d68573209d9115a2dda3c [0,0,0,0,0,1|3,0,0]=4 976 B11R1.172 FC(F)CCNc1ccco1 60d42532f681cd400c369f9801d8acef [0,0,0,0,0,1|3,0,0]=4 977 B11R1.172 FC(F)CNCc1ccco1 a8688361bfc0fe378998318ab561baa5 [0,0,0,0,0,1|3,0,0]=4 978 B11R1.172 FC(F)COCc1ccco1 b8dfda2c998592b7be5d95e4bbd963c9 [0,0,0,0,0,1|2,1,0]=4 979 B11R1.172 NC(=O)SCOc1ccco1 b909ddeb0c2182be35eb564945d38c9f [0,0,0,0,0,1|2,0,1]=4 980 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [1,0,1,0,0,0|1,1,0]=4 981 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [1,0,1,0,0,0|0,0,2]=4 982 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [1,0,1,0,0,0|1,1,0]=4 983 B8R0.7 C=CCOCCC(C)C dc2b2939e1232ad92646d1a4f0a37a80 [1,0,1,0,0,0|0,0,2]=4 984 B8R0.7 C=COCCNC(C)C add3040c31282427bcf36ce2a3978af4 [1,0,1,0,0,0|1,0,1]=4 985 B8R0.7 C=COCCOC(C)C 5cd8e52b6baa2e7d14f9120affa1c52b [1,0,1,0,0,0|0,1,1]=4 986 B8R0.7 CC(C)CNC/C=C\O 2a9e8c84ec357ff0db3f516b3676402a [1,0,1,0,0,0|1,0,1]=4 987 B8R0.7 CC(C)OC/C=C/C=O 4e4160efe718f5443229ce2fbcf01269 [1,0,1,0,0,0|0,1,1]=4 988 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [1,0,1,0,0,0|0,1,1]=4 989 B8R0.9 C=CC(O)CNC(C)C 254002c1439ccf47813784fa50338918 [1,0,1,0,0,0|1,0,1]=4 990 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [2,0,0,0,0,0|1,1,0]=4 991 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [2,0,0,0,0,0|2,0,0]=4 992 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [2,0,0,0,0,0|2,0,0]=4 993 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [2,0,0,0,0,0|0,1,0]=3 994 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [2,0,0,0,0,0|0,2,0]=4 995 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [2,0,0,0,0,0|1,1,0]=4 996 B10R0.4 C/C=C/C=C/COCC(C)C bb914ccb0b11afff65e287f17c04748c [0,1,1,0,0,0|1,1,0]=4 997 B10R0.4 C/C=C/COCCSC(C)C c38522e32b56092d1397f1c50e53f41a [0,1,1,0,0,0|0,0,2]=4 998 B10R0.4 C/C=C\COCCSC(C)C d461cd1ea22d805c4c928b793ab4172a [0,1,1,0,0,0|0,0,2]=4 999 B10R0.4 C=CCCOCCSC(C)C 358de6f78f629fea2231ca05d516b201 [0,1,1,0,0,0|0,0,2]=4 1000 B10R0.4 C=CCOCCCSC(C)C 6233a4f31aa575ed0e7b1c9ae75b0d59 [0,1,1,0,0,0|0,0,2]=4 1001 B10R0.4 C=CCOCCSCC(C)C dab4717ce766a01db8cf5553ab85c8d7 [0,1,1,0,0,0|0,0,2]=4 1002 B10R0.4 CC(C)SCCOC/C=C/Cl 2fb1b4d0570a2f20f798dac20559e0a0 [0,1,1,0,0,0|0,0,2]=4 1003 B10R0.4 CC(C)SCCOC/C=C\Cl 7a16d0a3cf18ad62a3260227d16ab377 [0,1,1,0,0,0|0,0,2]=4 1004 B10R0.4 CC(C)SCCOCC=CCl a2390b58474d6432e12676cb1f6d47f4 [0,1,1,0,0,0|0,0,2]=4 1005 B10R0.4 CC=CC=CCOCC(C)C 7814727135fdb8691dd30a42ea8e97a1 [0,1,1,0,0,0|1,1,0]=4 1006 B10R0.4 CC=CCOCCSC(C)C d936c45a92b3804dc03b7f7a493f440f [0,1,1,0,0,0|0,0,2]=4 1007 B10R0.22 C=CCOCCSC(C)(C)C 7bee603159ee87fc84f407bcb9ecf5ce [0,1,1,0,0,0|0,0,2]=4 1008 B10R0.55 C=C(C=O)OCCSC(C)C 1b0d4ccf3f712b2c1348d1daa5ef528f [0,1,1,0,0,0|1,0,1]=4 1009 B10R0.55 C=CC(=O)OCCOC(C)C b87ef4488ede798da9b9c5052a1d4eed [0,1,1,0,0,0|0,1,1]=4 1010 B10R0.55 C=CC(C)OCCSC(C)C f9d6ac9a751fac9ebe35002e1abe0aca [0,1,1,0,0,0|0,0,2]=4 1011 B10R0.55 C=C[C@H](C)OCCSC(C)C fe29f8853c94695d10aeb0caebd05b6c [0,1,1,0,0,0|0,0,2]=4 1012 B10R0.74 C/C=C/C=C/COC(C)CC ff1530e9bc96d34507f829f88f361ab1 [0,1,1,0,0,0|1,1,0]=4 1013 B10R0.74 CC=CC=CCOC(C)CC 0a2efb37d824133be0eb09c04aa3689f [0,1,1,0,0,0|1,1,0]=4 1014 B10R0.78 C=CCOC(=O)COC(C)C 772df51a4aa4bfd4334c6c9bc5fe8ef3 [0,1,1,0,0,0|0,1,1]=4 1015 B10R0.97 C=C(Br)COCCSC(C)C bd368cf2f5e99282704a09b07951e3b7 [0,1,1,0,0,0|0,0,2]=4 1016 B10R0.97 C=C(C)COCCSC(C)C 24d51ae93da58a2750a61135d5cf7596 [0,1,1,0,0,0|0,0,2]=4 1017 B10R0.97 C=C(Cl)COCCSC(C)C 79859303a974c45c77b40e62d5b95903 [0,1,1,0,0,0|0,0,2]=4 1018 B10R0.97 C=C(I)COCCSC(C)C 3448b592fb13a03808ac1d285ef679df [0,1,1,0,0,0|0,0,2]=4 1019 B10R0.26 C=COC(=O)CN(C)C(C)C b20d7d66bdd36e9889f74da8fbfb3ca2 [0,1,1,0,0,0|2,0,0]=4 1020 B10R0.108 C=COC(=O)CNC(C)CC e0fb6b6b5a51c181d56db0dc0deb97fe [0,1,1,0,0,0|2,0,0]=4 1021 B10R0.108 C=COC(=O)CNC(C)CO b5862aee437f5fd9a7d482bf720a750e [0,1,1,0,0,0|2,0,0]=4 1022 B10R0.108 C=COC(=O)CN[C@@H](C)CC 093b322cdc8789e33d81eed6ef14fc67 [0,1,1,0,0,0|2,0,0]=4 1023 B10R0.108 C=COC(=O)CN[C@@H](C)CO 76c3eead8fb516ef5367331b88fc223b [0,1,1,0,0,0|2,0,0]=4 1024 B10R0.108 C=COC(=O)CN[C@H](C)CC 4f98fb337c8452a0bfe334587adc0e72 [0,1,1,0,0,0|2,0,0]=4 1025 B10R0.108 C=COC(=O)CN[C@H](C)CO 9401c9e6d2c0cbc052b2b5723deca90b [0,1,1,0,0,0|2,0,0]=4 1026 B10R0.108 C=COC(=O)COC(C)CC 16446a886bce88917f4b433a4b395bee [0,1,1,0,0,0|1,1,0]=4 1027 B10R0.108 C=COC(=O)COC(C)CF 692bb6039d490eafa4cc6f53c19d3bad [0,1,1,0,0,0|1,1,0]=4 1028 B10R0.108 C=COC(=O)CO[C@@H](C)CC f8a259f73c232219a5bd34d586223941 [0,1,1,0,0,0|1,1,0]=4 1029 B10R0.108 C=COC(=O)CO[C@H](C)CC c65dda62dc80b8e3250c1c64442ac86d [0,1,1,0,0,0|1,1,0]=4 1030 B10R0.109 C=COC(=O)CNC(C)(C)C bfb34e391e6259a35efd86e81e5c64bf [0,1,1,0,0,0|2,0,0]=4 1031 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [1,1,0,0,0,0|1,1,0]=4 1034 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [1,1,0,0,0,0|1,1,0]=4 1036 B10R1.11 CCNC(C)c1ncco1 c4d00da9a44dea11f4b3af43c48c7394 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [1,1,0,0,0,0|1,1,0]=4 1038 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [1,1,0,0,0,0|1,1,0]=4 1040 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [1,1,0,0,0,0|0,1,0]=3 1041 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [1,1,0,0,0,0|0,2,0]=4 1042 B10R1.11 CCOC(C)c1ncco1 7cec3e492c517a86e7c86f971db66cb7 [1,1,0,0,0,0|1,1,0]=4 1043 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [1,1,0,0,0,0|0,2,0]=4 1044 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [1,1,0,0,0,0|0,1,0]=3 1045 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [1,1,0,0,0,0|0,2,0]=4 1046 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [1,1,0,0,0,0|1,1,0]=4 1049 B10R1.16 CCCNc1ccc(o1)C c15cbb66fc0595155ee50bd4d65f2e30 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.16 CCNCc1cc(=O)[nH]o1 9b4aa905fe627bee9bd7f4092be7060a [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.16 CCNCc1cc(c[nH]1)Br 76646da77f051189130f54ffcee40c89 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.16 CCNCc1cc(co1)C 58c09494a030fd296b651bd5ed8df90b [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.16 CCNCc1cc(cs1)Br 9f9cea4e8b3c873ee0ecb46adff7a6a3 [1,1,0,0,0,0|1,1,0]=4 1054 B10R1.16 CCNCc1cc(cs1)C dbab6bfc215deb5a37f4804c02ee14c6 [1,1,0,0,0,0|1,1,0]=4 1055 B10R1.16 CCNCc1cc(cs1)Cl fa26c9fdbbda03efa1cf3422cce3c686 [1,1,0,0,0,0|1,1,0]=4 1056 B10R1.16 CCNCc1cc(no1)Br 6ded0d935885d42f8a70a5f1833a1022 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.16 CCNCc1cc(no1)C a0f234091fe3d3bcf957627f0414a01f [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.16 CCNCc1ccc(o1)Br bc69cf8af8c6eedf459de13024a20023 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.16 CCNCc1ccc(s1)Br 1f034ca5ef701eac316ccc0a257fd19b [1,1,0,0,0,0|1,1,0]=4 1061 B10R1.16 CCNCc1ccc(s1)C 633920b9a1ab976873e39a09724124a0 [1,1,0,0,0,0|1,1,0]=4 1062 B10R1.16 CCNCc1ccc(s1)Cl eb5d940bb801b29d0ceead80cf934ae6 [1,1,0,0,0,0|1,1,0]=4 1063 B10R1.16 CCNCc1ccc(s1)F a72152baa87721f1d47a0a4b71cc3760 [1,1,0,0,0,0|1,1,0]=4 1064 B10R1.16 CCNCc1nc(co1)C df18691f07cb49e128b797b726731803 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.16 CCNCc1ncc(o1)Br f17a15deabe85b24480b81315828e49a [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.16 CCNCc1ncc(o1)C 35b6d871ba2e0fb183f83d8b17685e75 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.16 CCOCC1C=CC(=O)O1 3d114fda6fc7a21d274206eff0482ba4 [1,1,0,0,0,0|0,1,1]=4 1068 B10R1.16 CCOC[C@@H]1C=CC(=O)O1 4a5383ca9bc98f8e8a857df0bb6a3aea [1,1,0,0,0,0|0,1,1]=4 1069 B10R1.16 CCOCc1cc(co1)Br 488d484e666bbb5ae0db450dbc11796e [1,1,0,0,0,0|0,1,0]=3 1070 B10R1.16 CCOCc1cc(cs1)Br 5c550eeaf146240dd4a6f311ffbdec3b [1,1,0,0,0,0|0,2,0]=4 1071 B10R1.16 CCOCc1cc(cs1)C ef178c85c6f61e99838f3722990323ba [1,1,0,0,0,0|0,2,0]=4 1072 B10R1.16 CCOCc1cc(cs1)Cl 19caaaf05436b8667c2172f188e1dcb4 [1,1,0,0,0,0|0,2,0]=4 1073 B10R1.16 CCOCc1cc(no1)Br d73b5c9baf29613b5ffb4fd3f632422a [1,1,0,0,0,0|1,1,0]=4 1074 B10R1.16 CCOCc1cc(no1)C 0ffb0f53dfc89e7a2fa99ab215248675 [1,1,0,0,0,0|1,1,0]=4 1075 B10R1.16 CCOCc1ccc(o1)Br 9782731d1ae87bec8e3774d5ccde32bc [1,1,0,0,0,0|0,1,0]=3 1076 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [1,1,0,0,0,0|0,1,0]=3 1077 B10R1.16 CCOCc1ccc(s1)C 740ed4a0b292010289640c9d52c76cdf [1,1,0,0,0,0|0,2,0]=4 1078 B10R1.16 CCOCc1ccc(s1)Cl 273e39c7d162d5b650c0de66fd1919d8 [1,1,0,0,0,0|0,2,0]=4 1079 B10R1.16 CCOCc1ccc(s1)F 2123043b331712dae23230fd8878861c [1,1,0,0,0,0|0,2,0]=4 1080 B10R1.16 CCOCc1cnc(o1)C 2c0ad115b7737012f0b8e92cfb734642 [1,1,0,0,0,0|1,1,0]=4 1081 B10R1.16 CCOCc1nc(co1)Br 393f68cc0454364aa453e3f1aee599a5 [1,1,0,0,0,0|1,1,0]=4 1082 B10R1.16 CCOCc1ncc(o1)Br 7af10f46a26b39647fa554a9705a1204 [1,1,0,0,0,0|1,1,0]=4 1083 B10R1.16 Cc1ccc(o1)CNCF 13f986aeea8b775a60238e693104a65f [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.16 Cc1ccc(o1)CNCO d041abacf9ec57978eefc828a709cf3e [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.16 Cc1ccc(o1)COCF b0346ecdfb2d15ace5ee263215c686ed [1,1,0,0,0,0|1,1,0]=4 1086 B10R1.16 Cc1coc(c1)CNCF b7ce9c127ff36dd79c12422d633b5981 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.16 Cc1coc(c1)CNCO 5b5b73a61003865e547d61948f29c963 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.16 FCNCc1ccc(o1)Br 8d188da50f6ce5d498c0359674450abb [1,1,0,0,0,0|2,0,0]=4 1089 B10R1.16 FCOCc1cc(co1)Br 144482be31b09c80ca450d7ade103929 [1,1,0,0,0,0|1,1,0]=4 1090 B10R1.16 FCOCc1ccc(o1)Br d573f665c7a18d34b7805e178956ebed [1,1,0,0,0,0|1,1,0]=4 1091 B10R1.16 OCNCc1ccc(o1)Br 08a281115b04d71cce5c630e22bdaf6c [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.21 BrCCNCc1cccs1 43e40805d56566d68eaea0b456027ed9 [1,1,0,0,0,0|1,1,0]=4 1094 B10R1.21 BrCCNCc1ccno1 d0ef94ba35f381890ee843c9aafbfa2c [1,1,0,0,0,0|2,0,0]=4 1095 B10R1.21 BrCCNCc1cnco1 10185282b0b91776fd333909a812231f [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.21 BrCCNCc1ncco1 cb7b4723ac24e6794a0928e76b66d36e [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.21 C#CCNCc1ccco1 44af6fa419671e631643a59b9fd5d2de [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.21 C#CCOCc1ccco1 5944738cf231c28e977cbf2d03b15b1c [1,1,0,0,0,0|0,1,1]=4 1099 B10R1.21 C/C=C/COc1ccco1 49607601c603ccca16018edf0f4cebb7 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.21 C/C=C\COc1ccco1 081cefe6a82f756391efccda3cbbafc4 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.21 C=CCNCc1ccco1 9569a46dbd5a5ad2155580854b10270e [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.21 C=CCOCc1ccco1 21d0bb8c5631652a2d6e9c845ea783ac [1,1,0,0,0,0|0,1,1]=4 1103 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [1,1,0,0,0,0|1,0,1]=4 1104 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [1,1,0,0,0,0|1,1,0]=4 1106 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [1,1,0,0,0,0|1,1,0]=4 1110 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [1,1,0,0,0,0|1,1,0]=4 1113 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [1,1,0,0,0,0|1,1,0]=4 1117 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [1,1,0,0,0,0|0,1,0]=3 1118 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [1,1,0,0,0,0|0,2,0]=4 1119 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [1,1,0,0,0,0|1,1,0]=4 1120 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [1,1,0,0,0,0|1,1,0]=4 1121 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [1,1,0,0,0,0|1,1,0]=4 1122 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [1,1,0,0,0,0|2,0,0]=4 1123 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [1,1,0,0,0,0|1,1,0]=4 1125 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [1,1,0,0,0,0|1,1,0]=4 1126 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [1,1,0,0,0,0|0,1,0]=3 1127 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [1,1,0,0,0,0|0,2,0]=4 1128 B10R1.21 CCOCNc1cccs1 fdc9729af7149ad96898b9c1e1995195 [1,1,0,0,0,0|0,2,0]=4 1129 B10R1.21 CCOCNc1ccno1 529b44871c8dfd34bf68b0175f50e619 [1,1,0,0,0,0|1,1,0]=4 1130 B10R1.21 CCOCNc1ncco1 250f1feeca8dbd10b67fead60ad657bd [1,1,0,0,0,0|1,1,0]=4 1131 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [1,1,0,0,0,0|0,1,0]=3 1132 B10R1.21 CCOCOc1cccs1 f1905e8f0a82ed892bc2c970faf9dff2 [1,1,0,0,0,0|0,2,0]=4 1133 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.21 COCNCc1ccc[nH]1 beb90f93b0b4d35af75c15067af5f89f [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.21 COCNCc1cccs1 75615c372e8efa80d8b79813eacfd51c [1,1,0,0,0,0|1,1,0]=4 1138 B10R1.21 COCNCc1ccno1 15ef8536fda72fd586a760f6b4c8c70d [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.21 COCNCc1cnco1 0f6f0c3ae363e9893583c8f12ea2cd44 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.21 COCNCc1ncco1 d043a8b15ac8e8808dfe091199c948fd [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.21 COCOCc1ccc[nH]1 8602fb3b96d0845f62a61e91c638d526 [1,1,0,0,0,0|1,1,0]=4 1142 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [1,1,0,0,0,0|0,1,0]=3 1143 B10R1.21 COCOCc1cccs1 8035084dd952e2619b91998ee1e10055 [1,1,0,0,0,0|0,2,0]=4 1144 B10R1.21 COCOCc1ccno1 ff01a1e4f50dfacf1f2eb0f4413c32ac [1,1,0,0,0,0|1,1,0]=4 1145 B10R1.21 COCOCc1cnco1 c11598e267d02c4916b65bfc27609cc0 [1,1,0,0,0,0|1,1,0]=4 1146 B10R1.21 COCOCc1ncco1 17bdc640c34efccfe1e90b9530eec152 [1,1,0,0,0,0|1,1,0]=4 1147 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.21 CSCNCc1ccc[nH]1 fd07486fc4e4526a8ba8b2968c8e0c70 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.21 CSCNCc1cccs1 19102dc4b21db64523b39a937d0f0fcd [1,1,0,0,0,0|1,1,0]=4 1152 B10R1.21 CSCNCc1ccno1 b145d7f77e69f26c5226ed1ab903da2e [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.21 CSCNCc1cnco1 718d40295b9c5ba7e40f786d6ce87a7a [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.21 CSCNCc1ncco1 4798ea10b7d60481da1dae57164d3c95 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.21 CSCOCc1ccc[nH]1 227018605e900994ca4503decc33cb19 [1,1,0,0,0,0|1,1,0]=4 1156 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [1,1,0,0,0,0|0,1,0]=3 1157 B10R1.21 CSCOCc1cccs1 3cff4a60d95ea1637015dd5821e001bd [1,1,0,0,0,0|0,2,0]=4 1158 B10R1.21 CSCOCc1ccno1 df28b76a5605dd2e2e9c9583c86775eb [1,1,0,0,0,0|1,1,0]=4 1159 B10R1.21 CSCOCc1cnco1 7db2db0ff683405c7e81c02a0619ae5b [1,1,0,0,0,0|1,1,0]=4 1160 B10R1.21 CSCOCc1ncco1 ef5ebceba7bbc1aea597ff0fe4b673ab [1,1,0,0,0,0|1,1,0]=4 1161 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [1,1,0,0,0,0|2,0,0]=4 1162 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.21 FCCNCc1ccc[nH]1 fe349d4505b9ed5370e7b07649f649bf [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.21 FCCNCc1cccs1 64161443947eeac79824d623f6441f8e [1,1,0,0,0,0|1,1,0]=4 1166 B10R1.21 FCCNCc1ccno1 17329fb00249819fd456a69095ce0695 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.21 FCCNCc1cnco1 8294129d30f3b3ec3965d6755ee01576 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.21 FCCNCc1ncco1 a98d2e0ff29f8eaaf13d0f18d782e213 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.21 FCCOCc1ccc[nH]1 ae4bdf41a693ab4b17eedd9a1b3e71bd [1,1,0,0,0,0|1,1,0]=4 1170 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [1,1,0,0,0,0|0,1,0]=3 1171 B10R1.21 FCCOCc1cccs1 89e5f151596724dfb35cbde55e473498 [1,1,0,0,0,0|0,2,0]=4 1172 B10R1.21 FCCOCc1ccno1 7aeca3bf619803091648308b17afb171 [1,1,0,0,0,0|1,1,0]=4 1173 B10R1.21 FCCOCc1cnco1 f154df94fcccf40835580120af5630af [1,1,0,0,0,0|1,1,0]=4 1174 B10R1.21 FCCOCc1ncco1 d6ca61277cdf8d6c1646c155d3d4d654 [1,1,0,0,0,0|1,1,0]=4 1175 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [1,1,0,0,0,0|1,1,0]=4 1177 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.21 ICCNCc1cccs1 0562d9fcb39a15007547660ec9667d57 [1,1,0,0,0,0|1,1,0]=4 1179 B10R1.21 ICCNCc1ccno1 8cb7047f983588c8e29ac1de43c98d2e [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.21 ICCNCc1cnco1 46020b7bdbd6aa83a5b06b74af896d58 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.21 ICCNCc1ncco1 9d3055b7896b60e9b7a5d925d5a560b6 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.21 N#CCNCc1ccco1 fec584262b4d0a132944bf2c8f44ac1e [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.21 N#CCOCc1ccco1 dea65f4f4bafd731280ce3cf86ce28bd [1,1,0,0,0,0|0,1,1]=4 1184 B10R1.21 N#CSCOc1ccco1 9b7c1cdd7a8ef506f763c772dd654ad2 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.21 O=CCNCc1ccco1 0ab8a1ebd15283db8f5f3f17ac902f12 [1,1,0,0,0,0|1,0,1]=4 1186 B10R1.21 O=CCOCc1ccco1 22e3ccbc249d54fc00073a07f33cc6b4 [1,1,0,0,0,0|0,1,1]=4 1187 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.21 OCCNCc1ccc[nH]1 70b9ba075cfc1760e2d08e9e1fd27a85 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [1,1,0,0,0,0|1,0,0]=3 1190 B10R1.21 OCCNCc1cccs1 20c6d4950b663f50a5c3f4e3a3001297 [1,1,0,0,0,0|1,1,0]=4 1191 B10R1.21 OCCNCc1ccno1 b763edfde848a777eb1e851ff547f816 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.21 OCCNCc1cnco1 0dc7afd65143ae42236bcacef72c8123 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.21 OCCNCc1ncco1 e41d8f3bc0f8aecb72d6dd5103b1cd95 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.21 SCCNCc1ccc[nH]1 92f814f4f9ebad9c76a5b62d4428e6dc [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.21 SCCNCc1cccs1 c14456af873f39673f7684598253f2ef [1,1,0,0,0,0|1,1,0]=4 1199 B10R1.21 SCCNCc1ccno1 22d4c18ab4edac335b98e8d6ac575d44 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.21 SCCNCc1cnco1 545e27b0908fad20e1e53dbd5b70a282 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.21 SCCNCc1ncco1 1258e7ca764084b38646a114b79b62d5 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.21 SCCOCc1ccc[nH]1 4f192c4e8c3ebd7c553bf2c300880016 [1,1,0,0,0,0|1,1,0]=4 1203 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [1,1,0,0,0,0|0,1,0]=3 1204 B10R1.21 SCCOCc1cccs1 19c807d132dc7313aa96049bd57665ef [1,1,0,0,0,0|0,2,0]=4 1205 B10R1.21 SCCOCc1ccno1 96419b38b39b0e9e46cacee0b0f59903 [1,1,0,0,0,0|1,1,0]=4 1206 B10R1.21 SCCOCc1cnco1 ba11c463294bf9f59e25d6ef4c6b02ec [1,1,0,0,0,0|1,1,0]=4 1207 B10R1.21 SCCOCc1ncco1 4a4b5a156c050c2a7f702bc2b03448f2 [1,1,0,0,0,0|1,1,0]=4 1208 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.27 CCN(C)Cc1ccc[nH]1 e347aa0aab5f8b91131036b76761899f [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.27 CCN(C)Cc1cccs1 5856368746510a7217772fc0f20fa2c2 [1,1,0,0,0,0|1,1,0]=4 1212 B10R1.27 CCN(C)Cc1ccno1 2eaf5abe3f52570a6d35305ff6ab8c8c [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.27 CCN(C)Cc1ncco1 fbd451ad928ae1f8a9b5356432adeaee [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.27 CN(CF)Cc1ccco1 a8a8f0beb1fa78278a0baf9423982cd2 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.27 CN(CO)Cc1ccco1 e35a02611f613e4c724702badf0f544d [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.29 CCNCc1cccn1C a3f78601a8618e748bd2602282aac7da [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.29 CCNCc1occc1C 9ef238004378a81a0f74d5a2034266a3 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.29 CCNCc1sccc1Cl f49871b4cf667255cdeb6dcff922461b [1,1,0,0,0,0|1,1,0]=4 1219 B10R1.29 CCNCc1sccc1F ab368184a4e0fe6fd349be18a1c40dcb [1,1,0,0,0,0|1,1,0]=4 1220 B10R1.29 CCOCc1cccn1C 2d386258374afb1495708506babe71b0 [1,1,0,0,0,0|1,1,0]=4 1221 B10R1.29 CCOCc1occc1Br 091ac4b360c592cc4f7db4a049ac0a99 [1,1,0,0,0,0|0,1,0]=3 1222 B10R1.29 CCOCc1occc1C e7df444d3db70c6d7ce1aeb39d71e1ae [1,1,0,0,0,0|0,1,0]=3 1223 B10R1.29 CCOCc1ocnc1C f1dadf16dcac5a44fda51d454c25e0ef [1,1,0,0,0,0|1,1,0]=4 1224 B10R1.29 CCOCc1oncc1C 87c8fc5b2cb8cd05938ef66a5fbe1201 [1,1,0,0,0,0|1,1,0]=4 1225 B10R1.29 CCOCc1sccc1C 928528f7c346be07c81d918139c5ea3e [1,1,0,0,0,0|0,2,0]=4 1226 B10R1.29 CCOCc1sccc1Cl f1a6b399714310adf358afa7a2f0e9d6 [1,1,0,0,0,0|0,2,0]=4 1227 B10R1.29 CCOCc1sccc1F c318c2baa23b667c6c94321ee13cd20c [1,1,0,0,0,0|0,2,0]=4 1228 B10R1.29 Cc1ccoc1CNCF 7b90ffac2b3622c1b5bd007449c27acf [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.29 Cc1ccoc1CNCO 3b1ec24b65f1554651ff21c7bec117dc [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.29 Cc1ccoc1COCF 1d5154e89e1774674d960ff6e2f2ac51 [1,1,0,0,0,0|1,1,0]=4 1231 B10R1.29 FCOCc1occc1Br 93c65175419fdd74eebea6c5507f73d0 [1,1,0,0,0,0|1,1,0]=4 1232 B10R1.23 CC(C)N(C)c1ncco1 032eaac749afe91f9dd6a126785485bb [0,1,0,0,1,0|2,0,0]=4 1233 B10R1.54 CC(C)Nc1cc(=O)[nH]o1 2ab7ac8ac1632ed0e68998afb112e64f [0,1,0,0,1,0|2,0,0]=4 1234 B10R1.54 CC(C)OC1C=CC(=O)O1 60b8396b8e43e194735c222c3f81f80f [0,1,0,0,1,0|0,1,1]=4 1235 B10R1.54 CC(C)Oc1ccc(s1)Br f84299d81806a400101a9bd6e19aec9d [0,1,0,0,1,0|0,2,0]=4 1236 B10R1.54 Cc1cc(on1)NC(C)C d778120389c96c9a6e1e576487adcbf1 [0,1,0,0,1,0|2,0,0]=4 1237 B10R1.54 Cc1ccc(s1)NC(C)C 93bce7f187df330d71af93b5236b129c [0,1,0,0,1,0|1,1,0]=4 1238 B10R1.54 Cc1cnc(o1)NC(C)C 7e60d7afe3ab30d3ca96d7e5e37416d0 [0,1,0,0,1,0|2,0,0]=4 1239 B10R1.54 Cc1csc(c1)OC(C)C 373df1ff305189a72f1df4dff69c5fc9 [0,1,0,0,1,0|0,2,0]=4 1240 B10R1.54 Cc1ncc(o1)NC(C)C 75e1ac28fd5ad7fc795683447e104e58 [0,1,0,0,1,0|2,0,0]=4 1241 B10R1.64 CC(C)Oc1cccn1C 9d16d688182fe387ea0342d61d906965 [0,1,0,0,1,0|1,1,0]=4 1242 B12R1.21 CC(C)NCc1ccc(=O)[nH]c1 f5fff734176dc5499671c9909abad5b3 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.21 CC(C)NCc1ccc(cc1)Br 37c09d76c90c7ae49ec6a65ce3a6a041 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.21 CC(C)NCc1ccc(cc1)Cl 19728114897127fa755988490a2025d5 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.21 CC(C)NCc1ccc(cc1)F 76a0754a7751d3d66ff80ab158c9f2b0 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.21 CC(C)NCc1ccc(cc1)I 49ceb1852914812d45311ac4b38b1f31 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.21 CC(C)NCc1ccc(cn1)Cl c4f69fa6d84754b6825b9b1c6de7fed8 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.21 CC(C)NCc1ccc(cn1)F c4865c3c8142a2d416d4be6ac231c6e4 [0,1,0,0,0,1|2,0,0]=4 1249 B12R1.21 CC(C)NCc1ccc(nc1)Br 66c358003a2aeaecd114c0fca0aabd06 [0,1,0,0,0,1|2,0,0]=4 1250 B12R1.21 CC(C)NCc1ccc(nc1)Cl b141e36d256d8ba46ce47c529972ed91 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.21 CC(C)NCc1ccc(nc1)F c68d5f2c5bc0cadc3f885e96b8ce170e [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.21 CC(C)NCc1ccc(nn1)Cl 61cebff1ea99f09b41702993f7dabfd6 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.21 CC(C)NCc1cnc(cn1)Cl 50d27bdd6b7849aceb40b85497d36e1e [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.21 CC(C)NCc1ncc(cn1)Br 6543968e4b9079ddff46cd3aa4374fd3 [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.21 CC(C)NCc1ncc(cn1)Cl 051fcb678545424d5afdd0ad2b149539 [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.21 CC(C)NCc1ncc(cn1)F 4244dcb2b446981f6525a5933fc2fc2d [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.21 CC(C)OCc1cc[n+](cc1)[O-] ad48718861e57a0359d9b9f53b66d92f [0,1,0,0,0,1|1,1,0]=4 1258 B12R1.21 CC(C)OCc1ccc(cc1)Br bb4176ce0b9ad4d7fb8568832a43e29a [0,1,0,0,0,1|1,1,0]=4 1259 B12R1.21 CC(C)OCc1ccc(cc1)Cl abfc8ca1cd1171daf8ae63ae6bec02b0 [0,1,0,0,0,1|1,1,0]=4 1260 B12R1.21 CC(C)OCc1ccc(cc1)F ac9a18f3d487a18e76f77222965a393f [0,1,0,0,0,1|1,1,0]=4 1261 B12R1.21 CC(C)OCc1ccc(cc1)I a45cec946311a49c5890d06f9a04aef0 [0,1,0,0,0,1|1,1,0]=4 1262 B12R1.21 CC(C)OCc1ccc(cc1)S 8bebaeb2cc5402024d06e9416cbf6988 [0,1,0,0,0,1|1,1,0]=4 1263 B12R1.21 CC(C)OCc1ccc(cn1)Cl e6b6d6a6b704e48f9bad6d91e44552d4 [0,1,0,0,0,1|1,1,0]=4 1264 B12R1.21 CC(C)OCc1ccc(cn1)F cb42a6ce37282edad9aea9a5be279e31 [0,1,0,0,0,1|1,1,0]=4 1265 B12R1.21 CC(C)OCc1ccc(cn1)I d91e2bc09c51ae21ccaab7c4ab76b331 [0,1,0,0,0,1|1,1,0]=4 1266 B12R1.21 CC(C)OCc1ccc(nc1)Br af871ec452ce610ac0391d6007c2df16 [0,1,0,0,0,1|1,1,0]=4 1267 B12R1.21 CC(C)OCc1ccc(nc1)Cl 410f08f8c81d19a105b5a2a9721c4558 [0,1,0,0,0,1|1,1,0]=4 1268 B12R1.21 CC(C)OCc1ccc(nc1)F ba373ea2643bfa56519dd6f4851e18e6 [0,1,0,0,0,1|1,1,0]=4 1269 B12R1.21 CC(C)OCc1ccc(nn1)Cl 1325213318013ac65d7a1be01e77aa3e [0,1,0,0,0,1|1,1,0]=4 1270 B12R1.21 CC(C)OCc1cnc(cn1)Cl 9ac6314172687d4058364b44cd8d251a [0,1,0,0,0,1|1,1,0]=4 1271 B12R1.21 CC(C)OCc1ncc(cn1)Br 7b56cb7e14f5328e2ba153dcc6cef46b [0,1,0,0,0,1|1,1,0]=4 1272 B12R1.21 CC(C)OCc1ncc(cn1)Cl e6976f230a6990d0c977eeb2b0b4e893 [0,1,0,0,0,1|1,1,0]=4 1273 B12R1.21 CC(C)OCc1ncc(cn1)F 31c1d9f6a980edb99bd82ed550ee57c3 [0,1,0,0,0,1|1,1,0]=4 1274 B12R1.21 Cc1ccc(cc1)CNC(C)C 9f3293af5f5347150ac2434f1c0f5ea3 [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.21 Cc1ccc(cc1)COC(C)C 7eda3a9e7a3c4601d0edf3097f1c1fb1 [0,1,0,0,0,1|1,1,0]=4 1276 B12R1.21 Cc1ccc(cn1)CNC(C)C dcca654450af647880d19bcbcad782d0 [0,1,0,0,0,1|2,0,0]=4 1277 B12R1.21 Cc1ccc(cn1)COC(C)C c818a7f0551a9b355b44729de8a8ae60 [0,1,0,0,0,1|1,1,0]=4 1278 B12R1.21 Cc1ccc(nc1)CNC(C)C 1873ba9dced7d99c6e146a54f65349ff [0,1,0,0,0,1|2,0,0]=4 1279 B12R1.21 Cc1ccc(nc1)COC(C)C 268c71dd25830b86e2dc9d4896798456 [0,1,0,0,0,1|1,1,0]=4 1280 B12R1.21 Cc1ccc(nn1)CNC(C)C 321370b256caf366dadc3d338d91b1c7 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.21 Cc1ccc(nn1)COC(C)C 8b493afbef8c2102fe84accacf26686a [0,1,0,0,0,1|1,1,0]=4 1282 B12R1.21 Cc1cnc(cn1)CNC(C)C ccca1b65d279b844db896923386ce7b2 [0,1,0,0,0,1|2,0,0]=4 1283 B12R1.21 Cc1cnc(nc1)CNC(C)C 4791cd1f80a42dfbe36297eee311355d [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.21 Cc1cnc(nc1)COC(C)C 51e09f1748f001ce8e6f721be680530b [0,1,0,0,0,1|1,1,0]=4 1285 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [0,1,0,0,0,1|1,1,0]=4 1286 B12R1.27 CC(CF)OCc1ccccn1 0d7b7c864206636c9235d181d09d6b15 [0,1,0,0,0,1|1,1,0]=4 1287 B12R1.27 CC(CF)OCc1cccnc1 dcd165da872903498dbd39f6392c4596 [0,1,0,0,0,1|1,1,0]=4 1288 B12R1.27 CC(CF)OCc1cccnn1 2c6b5889e411e9f53b3bd7e4e48410da [0,1,0,0,0,1|1,1,0]=4 1289 B12R1.27 CC(CF)OCc1ccncn1 7eb50aaf117aa7f61d2941f6dd6c4fce [0,1,0,0,0,1|1,1,0]=4 1290 B12R1.27 CC(CF)OCc1ncccn1 efeafcf08dded6fb6ac0d0bf6fb697f6 [0,1,0,0,0,1|1,1,0]=4 1291 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,1,0,0,0,1|2,0,0]=4 1292 B12R1.27 CC(CO)NCc1ccccn1 dc606027ab1cf21842521e3cd6aab041 [0,1,0,0,0,1|2,0,0]=4 1293 B12R1.27 CC(CO)NCc1cccnc1 80adcdefa26a29e6989696dff2f189ce [0,1,0,0,0,1|2,0,0]=4 1294 B12R1.27 CC(CO)NCc1cccnn1 c0ae66a6706b4b09ae7fbfdd61df0b00 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.27 CC(CO)NCc1ccncc1 9672e7a66b4b38bfe57c10026c0328a2 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.27 CC(CO)NCc1ccncn1 eeb32be9623ececc3cd1b1108d4a73d9 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.27 CC(CO)NCc1cnccn1 c4d9086c3d359aa0fead8d59b651d860 [0,1,0,0,0,1|2,0,0]=4 1298 B12R1.27 CC(CO)NCc1ncccn1 837e97a48ad085370e6b0d812fd567c5 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [0,1,0,0,0,1|1,1,0]=4 1300 B12R1.27 CC(CS)OCc1ccccn1 d5c25dfa8bcef5c73ff7d0ae8229ced9 [0,1,0,0,0,1|1,1,0]=4 1301 B12R1.27 CC(CS)OCc1cccnc1 c6dbc5eba4423fac160580b226332d7c [0,1,0,0,0,1|1,1,0]=4 1302 B12R1.27 CC(CS)OCc1cccnn1 a0872fdb6d741d866e92a6ca3a80681f [0,1,0,0,0,1|1,1,0]=4 1303 B12R1.27 CC(CS)OCc1ccncn1 6bc0b1ad4d781f68d45af34f251458c6 [0,1,0,0,0,1|1,1,0]=4 1304 B12R1.27 CC(CS)OCc1ncccn1 ae0239a16957c280a40779b5f9f2f28f [0,1,0,0,0,1|1,1,0]=4 1305 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [0,1,0,0,0,1|2,0,0]=4 1307 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [0,1,0,0,0,1|2,0,0]=4 1308 B12R1.27 CCC(C)NCc1cccnn1 e88f67ed586eb144bc95e5bd7bcb62fb [0,1,0,0,0,1|2,0,0]=4 1309 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [0,1,0,0,0,1|2,0,0]=4 1310 B12R1.27 CCC(C)NCc1ccncn1 01397d606cc3fffc348ba55c505e4e14 [0,1,0,0,0,1|2,0,0]=4 1311 B12R1.27 CCC(C)NCc1cnccn1 a0930806765eb19590abfca69771946b [0,1,0,0,0,1|2,0,0]=4 1312 B12R1.27 CCC(C)NCc1ncccn1 8df2592374dc9d99b6917404fbb9e793 [0,1,0,0,0,1|2,0,0]=4 1313 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,1,0,0,0,1|1,1,0]=4 1314 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [0,1,0,0,0,1|1,1,0]=4 1315 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [0,1,0,0,0,1|1,1,0]=4 1316 B12R1.27 CCC(C)OCc1cccnn1 931286049d3813ef6a988d4bb07d95ff [0,1,0,0,0,1|1,1,0]=4 1317 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [0,1,0,0,0,1|1,1,0]=4 1318 B12R1.27 CCC(C)OCc1ccncn1 e6dd96fe0be9c443333ddd94f3b52c38 [0,1,0,0,0,1|1,1,0]=4 1319 B12R1.27 CCC(C)OCc1cnccn1 989f83298573eea5a35c1e5bc64dd4aa [0,1,0,0,0,1|1,1,0]=4 1320 B12R1.27 CCC(C)OCc1ncccn1 38a703d49d9020f50edd3359d9d3a942 [0,1,0,0,0,1|1,1,0]=4 1321 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,1,0,0,0,1|2,0,0]=4 1322 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [0,1,0,0,0,1|2,0,0]=4 1323 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [0,1,0,0,0,1|2,0,0]=4 1324 B12R1.27 CC[C@@H](C)NCc1cccnn1 67c35e96e8b22c34c0f9f2bf0dbc7c53 [0,1,0,0,0,1|2,0,0]=4 1325 B12R1.27 CC[C@@H](C)NCc1ccncn1 8982898b930cc64d3f97e8f22b517451 [0,1,0,0,0,1|2,0,0]=4 1326 B12R1.27 CC[C@@H](C)NCc1ncccn1 f3d5324285f373a311d24ca5f258e5b2 [0,1,0,0,0,1|2,0,0]=4 1327 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,1,0,0,0,1|1,1,0]=4 1328 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [0,1,0,0,0,1|1,1,0]=4 1329 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [0,1,0,0,0,1|1,1,0]=4 1330 B12R1.27 CC[C@@H](C)OCc1cccnn1 2fac72deb935cb1047377c76377e9d51 [0,1,0,0,0,1|1,1,0]=4 1331 B12R1.27 CC[C@@H](C)OCc1ccncn1 6836f2a86da52782b28754e4db4a7845 [0,1,0,0,0,1|1,1,0]=4 1332 B12R1.27 CC[C@@H](C)OCc1ncccn1 0a03468190ed42b08f9cfae2cfb173a4 [0,1,0,0,0,1|1,1,0]=4 1333 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,1,0,0,0,1|2,0,0]=4 1334 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [0,1,0,0,0,1|2,0,0]=4 1335 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [0,1,0,0,0,1|2,0,0]=4 1336 B12R1.27 CC[C@H](C)NCc1cccnn1 afb2d02055de31c3b13c38e7426238a5 [0,1,0,0,0,1|2,0,0]=4 1337 B12R1.27 CC[C@H](C)NCc1ccncn1 68e404577e6515900cd967404a759d1e [0,1,0,0,0,1|2,0,0]=4 1338 B12R1.27 CC[C@H](C)NCc1ncccn1 4b99ab313f24380219528f42be31f07d [0,1,0,0,0,1|2,0,0]=4 1339 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,1,0,0,0,1|1,1,0]=4 1340 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [0,1,0,0,0,1|1,1,0]=4 1341 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [0,1,0,0,0,1|1,1,0]=4 1342 B12R1.27 CC[C@H](C)OCc1cccnn1 140744aee80ca8123abb7507b4305d28 [0,1,0,0,0,1|1,1,0]=4 1343 B12R1.27 CC[C@H](C)OCc1ccncn1 35f3c9d29295bb910146093a6786c4b1 [0,1,0,0,0,1|1,1,0]=4 1344 B12R1.27 CC[C@H](C)OCc1ncccn1 181b6f3316ad03af0956648dba459c7a [0,1,0,0,0,1|1,1,0]=4 1345 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,1,0,0,0,1|2,0,0]=4 1346 B12R1.27 C[C@@H](CO)NCc1ccccn1 24b346e5ac8cec24f6566fe18f21e557 [0,1,0,0,0,1|2,0,0]=4 1347 B12R1.27 C[C@@H](CO)NCc1cccnc1 c05978b6b00adbcee4f88cca44b079ed [0,1,0,0,0,1|2,0,0]=4 1348 B12R1.27 C[C@@H](CO)NCc1cccnn1 05a1dc5c207ae3eee6144f6e1c657205 [0,1,0,0,0,1|2,0,0]=4 1349 B12R1.27 C[C@@H](CO)NCc1ccncc1 5b07b762d221cbddc1d819cacc34979c [0,1,0,0,0,1|2,0,0]=4 1350 B12R1.27 C[C@@H](CO)NCc1ccncn1 f6ff3ba88bfe69e87216c2a7058d07f8 [0,1,0,0,0,1|2,0,0]=4 1351 B12R1.27 C[C@@H](CO)NCc1cnccn1 848c1433beb181bd59c54d3b96b16fa8 [0,1,0,0,0,1|2,0,0]=4 1352 B12R1.27 C[C@@H](CO)NCc1ncccn1 18b98af25da2c21ca4e52167d59e15d7 [0,1,0,0,0,1|2,0,0]=4 1353 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,1,0,0,0,1|2,0,0]=4 1354 B12R1.27 C[C@H](CO)NCc1ccccn1 f876cbcb18ab33a44cd48067a6e0c620 [0,1,0,0,0,1|2,0,0]=4 1355 B12R1.27 C[C@H](CO)NCc1cccnc1 21544267eb570ab70ec823c251a550b0 [0,1,0,0,0,1|2,0,0]=4 1356 B12R1.27 C[C@H](CO)NCc1cccnn1 1a2bd735b97b66ca6ea47e333ae5c2c6 [0,1,0,0,0,1|2,0,0]=4 1357 B12R1.27 C[C@H](CO)NCc1ccncc1 7dbeacc2c2607a95fa1f0ce20b03a078 [0,1,0,0,0,1|2,0,0]=4 1358 B12R1.27 C[C@H](CO)NCc1ccncn1 c32e0f5fede4f5050d0aa02b72ffe485 [0,1,0,0,0,1|2,0,0]=4 1359 B12R1.27 C[C@H](CO)NCc1cnccn1 aa92059eda1f440fdfb5e1dbb18875a2 [0,1,0,0,0,1|2,0,0]=4 1360 B12R1.27 C[C@H](CO)NCc1ncccn1 0f954e7651a99fa27d25d1118270587f [0,1,0,0,0,1|2,0,0]=4 1361 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [0,1,0,0,0,1|1,1,0]=4 1362 B12R1.27 C[C@H](CS)OCc1ccccn1 bfa2f3c46950c58e36e3009f57740457 [0,1,0,0,0,1|1,1,0]=4 1363 B12R1.27 C[C@H](CS)OCc1cccnc1 ac5d95777938b777033779188a5a5b0a [0,1,0,0,0,1|1,1,0]=4 1364 B12R1.27 C[C@H](CS)OCc1cccnn1 ed596dc0487d88f9c4050fab00936dd6 [0,1,0,0,0,1|1,1,0]=4 1365 B12R1.27 C[C@H](CS)OCc1ccncn1 bcfae6bd9da7a561bbca62d1ea19c5d1 [0,1,0,0,0,1|1,1,0]=4 1366 B12R1.27 C[C@H](CS)OCc1ncccn1 58841d38a292b01728562b6a0e3ba5a4 [0,1,0,0,0,1|1,1,0]=4 1367 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.43 CC(C)N(C)Cc1ccccn1 1f5d3f68b51d0d1177f99817ac8f4046 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.43 CC(C)N(C)Cc1cccnc1 1e873a4fbb2a3d762374aea8e87346b5 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.43 CC(C)N(C)Cc1cccnn1 56b270dc77c53b384e585bf122092d3b [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.43 CC(C)N(C)Cc1ccncc1 46734e331886f41f4f5306fbbfbe60e0 [0,1,0,0,0,1|2,0,0]=4 1372 B12R1.43 CC(C)N(C)Cc1ccncn1 c2e8d57c9d85953e86b5625c4dc8ce44 [0,1,0,0,0,1|2,0,0]=4 1373 B12R1.43 CC(C)N(C)Cc1cnccn1 b2491d397acf9864492335ec9ed2ee8b [0,1,0,0,0,1|2,0,0]=4 1374 B12R1.43 CC(C)N(C)Cc1ncccn1 cb846134316c5231ec12f246dd485fef [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.107 CC(C)NC(C)c1ccccn1 7a8a49744ff2dc697705e105a4d29b31 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.107 CC(C)NC(C)c1cccnc1 f83045cb9bb475cbbd0d72c753be3dbb [0,1,0,0,0,1|2,0,0]=4 1377 B12R1.107 CC(C)NC(C)c1cccnn1 26293dd49f70df18d847319875299dbd [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.107 CC(C)NC(C)c1ccncc1 4565af1a01c9e3a5c5433e3411958097 [0,1,0,0,0,1|2,0,0]=4 1379 B12R1.107 CC(C)NC(C)c1ccncn1 34b6a27a2e8d3c4decef32691bd6427c [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.107 CC(C)NC(C)c1cnccn1 84a7f59b7fa5379e0f7e834f97b5b6f2 [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.107 CC(C)NC(C)c1ncccn1 e86ef39c1d5268c5e6aaf193ebdf6c96 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.107 CC(C)N[C@@H](C)c1ccccn1 5a8182a5c2834a1b8d14a1d525ca73eb [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.107 CC(C)N[C@@H](C)c1cccnc1 bba252309d650ecc30069f3dddd1b105 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.107 CC(C)N[C@@H](C)c1ccncc1 775d0cb56d3dd6bc4738e2685aee9f6a [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.107 CC(C)N[C@H](C)c1ccccn1 8a594a7c5da3e31c163d1068dcac9471 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.107 CC(C)N[C@H](C)c1cccnc1 ce94c3a37523dd9db9b3b4f768ea9506 [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.107 CC(C)N[C@H](C)c1ccncc1 a8f7ac5675fa91c5d895f344e2b2bc66 [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,1,0,0,0,1|1,1,0]=4 1389 B12R1.107 CC(C)OC(C)c1ccccn1 e36bdb169f8c2820d6238217cf2c0c9b [0,1,0,0,0,1|1,1,0]=4 1390 B12R1.107 CC(C)OC(C)c1cccnc1 a720356d264ae2e2bd94268a34af0246 [0,1,0,0,0,1|1,1,0]=4 1391 B12R1.107 CC(C)OC(C)c1cccnn1 b9a675cb0413e62ea73a2fc61b472f4c [0,1,0,0,0,1|1,1,0]=4 1392 B12R1.107 CC(C)OC(C)c1ccncc1 dff8cce62d02c112ddba22a89b06b30b [0,1,0,0,0,1|1,1,0]=4 1393 B12R1.107 CC(C)OC(C)c1cnccn1 49dbbb014eb1d6d6604592a692551887 [0,1,0,0,0,1|1,1,0]=4 1394 B12R1.107 CC(C)OC(C)c1ncccn1 b23cbc3cd3127cb04e9d3cc352ec230e [0,1,0,0,0,1|1,1,0]=4 1395 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,1,0,0,0,1|1,1,0]=4 1396 B12R1.107 CC(C)O[C@@H](C)c1ccccn1 6a258a3944fb55be34cbeaa329643f08 [0,1,0,0,0,1|1,1,0]=4 1397 B12R1.107 CC(C)O[C@@H](C)c1cccnc1 e078965ffd7282aede11459af9dd81de [0,1,0,0,0,1|1,1,0]=4 1398 B12R1.107 CC(C)O[C@@H](C)c1ccncc1 a72003c25fd185808d9c1b428a24fd38 [0,1,0,0,0,1|1,1,0]=4 1399 B12R1.107 CC(C)O[C@@H](C)c1ccncn1 bed54438b6203db69d9a1a5ad07b2058 [0,1,0,0,0,1|1,1,0]=4 1400 B12R1.107 CC(C)O[C@@H](C)c1cnccn1 009a5e07c5407526fe204e5b95c47bc3 [0,1,0,0,0,1|1,1,0]=4 1401 B12R1.107 CC(C)O[C@@H](C)c1ncccn1 56e13dc95b010111c031baa3ea76a9e4 [0,1,0,0,0,1|1,1,0]=4 1402 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,1,0,0,0,1|1,1,0]=4 1403 B12R1.107 CC(C)O[C@H](C)c1ccccn1 328ee8bf306075f10d7c4472fab39f5c [0,1,0,0,0,1|1,1,0]=4 1404 B12R1.107 CC(C)O[C@H](C)c1cccnc1 8b46fac7478602a39d5771164fd44ea8 [0,1,0,0,0,1|1,1,0]=4 1405 B12R1.107 CC(C)O[C@H](C)c1cccnn1 258869d92b5c7432895492f62b948e1d [0,1,0,0,0,1|1,1,0]=4 1406 B12R1.107 CC(C)O[C@H](C)c1ccncc1 0ca354191167bd77b68c3f542b91cfff [0,1,0,0,0,1|1,1,0]=4 1407 B12R1.107 CC(C)O[C@H](C)c1cnccn1 9a9e1989e4a9739b76eb56e3ea916435 [0,1,0,0,0,1|1,1,0]=4 1408 B12R1.107 CC(C)O[C@H](C)c1ncccn1 b27fe86b2e773326c121cfd8807cedb9 [0,1,0,0,0,1|1,1,0]=4 1409 B12R1.125 CC(C)COc1cccoc1=O 45df10a23fce7e58eaab8fa4ac81b508 [0,1,0,0,0,1|2,0,0]=4 1410 B12R1.125 CC(C)COc1coccc1=O 614bed8cd5a90cce22ec40c4fdcd726a [0,1,0,0,0,1|2,0,0]=4 1411 B12R1.125 CC(C)NCc1cccc[n+]1[O-] 75c78e72999a2a9c82d82071968cfcf8 [0,1,0,0,0,1|2,0,0]=4 1412 B12R1.125 CC(C)NCc1ccccc1Cl 9b9897219917fd3530700a473a4db4bc [0,1,0,0,0,1|2,0,0]=4 1413 B12R1.125 CC(C)NCc1ccccc1F 22106e2f6b32da238c4d16ecaebf9107 [0,1,0,0,0,1|2,0,0]=4 1414 B12R1.125 CC(C)NCc1ccccc1I 3b248e8d40a66b793c94674298302a5d [0,1,0,0,0,1|2,0,0]=4 1415 B12R1.125 CC(C)NCc1cccnc1Br 22459f2ca835d8f7937b98fb2a9c12c5 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.125 CC(C)NCc1cccnc1Cl 1a6e41b1638b07ef5214929c520cab92 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.125 CC(C)NCc1cccnc1F 25593b5896d79eeec200973b3dd6952c [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.125 CC(C)NCc1ccncc1Br d81e7ee16e73504478b6791c384b9ec3 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.125 CC(C)NCc1ccncc1Cl 251b95b9f8185cc37c498345c403ee2f [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.125 CC(C)NCc1ccncc1F 3fd62883cc180b7243d81db6adc63828 [0,1,0,0,0,1|2,0,0]=4 1421 B12R1.125 CC(C)NCc1ncccc1Br ba070c387cfb926f8a021c30b52f1b8f [0,1,0,0,0,1|2,0,0]=4 1422 B12R1.125 CC(C)NCc1ncccc1Cl 1546787973be24b721a8bc7496cac392 [0,1,0,0,0,1|2,0,0]=4 1423 B12R1.125 CC(C)NCc1ncccc1F aa0069dced2d7cc22965885f3f7a9397 [0,1,0,0,0,1|2,0,0]=4 1424 B12R1.125 CC(C)NCc1nccnc1Cl 74733b782e009da747c4009745ad32b0 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.125 CC(C)OCc1ccc[nH]c1=O e297c1be086c22b1e84c5a8b3babb68d [0,1,0,0,0,1|1,1,0]=4 1426 B12R1.125 CC(C)OCc1ccccc1Cl f1d0578f20039107ab7831c744270352 [0,1,0,0,0,1|1,1,0]=4 1427 B12R1.125 CC(C)OCc1ccccc1F 88ffe0c3ffb1a7712dee49c51d8757cb [0,1,0,0,0,1|1,1,0]=4 1428 B12R1.125 CC(C)OCc1ccccc1I 091e4f6992ab541edd05dc5206b2152a [0,1,0,0,0,1|1,1,0]=4 1429 B12R1.125 CC(C)OCc1cccnc1Br 054a1fa90d466c66e80e2f94ee0cc8ad [0,1,0,0,0,1|1,1,0]=4 1430 B12R1.125 CC(C)OCc1cccnc1Cl 9341dccfc0e34600d7a9f7d86868c180 [0,1,0,0,0,1|1,1,0]=4 1431 B12R1.125 CC(C)OCc1cccnc1F 43198bce1943ba438eca35cf747bbab3 [0,1,0,0,0,1|1,1,0]=4 1432 B12R1.125 CC(C)OCc1ccncc1Cl b2bd70abc2680c5faca01e36afe3c508 [0,1,0,0,0,1|1,1,0]=4 1433 B12R1.125 CC(C)OCc1ccncc1F e0f664bd9f24e773b8099a6425861e38 [0,1,0,0,0,1|1,1,0]=4 1434 B12R1.125 CC(C)OCc1ccncc1I a9ac24f885be578976859e0b73ccf536 [0,1,0,0,0,1|1,1,0]=4 1435 B12R1.125 CC(C)OCc1cnccc1Br 3e276621683da2bb94d01c109be41823 [0,1,0,0,0,1|1,1,0]=4 1436 B12R1.125 CC(C)OCc1cnccc1Cl eb99f0c34344c7f47466de55040bd0d4 [0,1,0,0,0,1|1,1,0]=4 1437 B12R1.125 CC(C)OCc1cnccc1F 68c200210a3748d543a35abac99f931b [0,1,0,0,0,1|1,1,0]=4 1438 B12R1.125 CC(C)OCc1ncccc1Br 4614c9d7b350005a40859c2bd40e6e3d [0,1,0,0,0,1|1,1,0]=4 1439 B12R1.125 CC(C)OCc1ncccc1Cl 4451d4ad31d9d68f63a26b0996be1d97 [0,1,0,0,0,1|1,1,0]=4 1440 B12R1.125 CC(C)OCc1ncccc1F a6ff5296d7d94bb454d989a3d95e21c4 [0,1,0,0,0,1|1,1,0]=4 1441 B12R1.125 CC(C)OCc1nccnc1Cl cf955ada05304600400341f0a06ba741 [0,1,0,0,0,1|1,1,0]=4 1442 B12R1.125 Cc1ccccc1CNC(C)C 2dd08d80be2d3e51d4d72fed96629045 [0,1,0,0,0,1|2,0,0]=4 1443 B12R1.125 Cc1cccnc1CNC(C)C 5c608f0fb577a4839d6566b1f8cde4a7 [0,1,0,0,0,1|2,0,0]=4 1444 B12R1.125 Cc1cccnc1COC(C)C d0c708a01280fb6f5078e1dd21e398c6 [0,1,0,0,0,1|1,1,0]=4 1445 B12R1.125 Cc1ccnnc1CNC(C)C 053d53ff032d307f2f7189f453930b8b [0,1,0,0,0,1|2,0,0]=4 1446 B12R1.125 Cc1ccnnc1COC(C)C 4efceeefc5d2f3dc52e6096749d82f5a [0,1,0,0,0,1|1,1,0]=4 1447 B12R1.125 Cc1cnccc1CNC(C)C fd3c13616b7aae9904ff75b6dc257c3e [0,1,0,0,0,1|2,0,0]=4 1448 B12R1.125 Cc1cnccc1COC(C)C ff9355dbcebbc16b1ea6e10e3b3965f7 [0,1,0,0,0,1|1,1,0]=4 1449 B12R1.125 Cc1ncccc1CNC(C)C 9e75f3824b522bcdb845f9a2f15ad81b [0,1,0,0,0,1|2,0,0]=4 1450 B12R1.125 Cc1ncccc1COC(C)C a9da00623a47634eafd7b8cce50e0671 [0,1,0,0,0,1|1,1,0]=4 1451 B12R1.125 Cc1nccnc1COC(C)C 17ec3e09c1fd2bbc7c2646442d27bb8d [0,1,0,0,0,1|1,1,0]=4 1452 B12R1.226 CC(C)NCc1cc(ccn1)Br 8e80878aa33f629cad82435a04ceb908 [0,1,0,0,0,1|2,0,0]=4 1453 B12R1.226 CC(C)NCc1cc(ccn1)Cl 32e06332ef624538e73eda4739130df1 [0,1,0,0,0,1|2,0,0]=4 1454 B12R1.226 CC(C)NCc1cc[nH]c(=O)c1 a9d3b7042d066144e705a5aefd7af7a3 [0,1,0,0,0,1|2,0,0]=4 1455 B12R1.226 CC(C)NCc1cc[nH]c(=O)n1 6435f67c87745f9f27c7df14c21efc37 [0,1,0,0,0,1|2,0,0]=4 1456 B12R1.226 CC(C)NCc1ccc[n+](c1)[O-] 9ce22988e76f5dc081315f40c755b50e [0,1,0,0,0,1|2,0,0]=4 1457 B12R1.226 CC(C)NCc1cccc(c1)Br 1c3c944c566959e7eef7efc9a8c8251c [0,1,0,0,0,1|2,0,0]=4 1458 B12R1.226 CC(C)NCc1cccc(c1)Cl 9dbc94fad7d16f41b15b3aebc8ca545b [0,1,0,0,0,1|2,0,0]=4 1459 B12R1.226 CC(C)NCc1cccc(c1)F 3787b7b4f5a6fda7587bfa332950191c [0,1,0,0,0,1|2,0,0]=4 1460 B12R1.226 CC(C)NCc1cccc(c1)I d4cf7394a008619606fd5e038404d76e [0,1,0,0,0,1|2,0,0]=4 1461 B12R1.226 CC(C)NCc1cccc(n1)Br 92981f813a24d8d775368435b84eaa2a [0,1,0,0,0,1|2,0,0]=4 1462 B12R1.226 CC(C)NCc1cccc(n1)Cl aa1ee281695a9ad7738f13543541b870 [0,1,0,0,0,1|2,0,0]=4 1463 B12R1.226 CC(C)NCc1cccc(n1)F d5092e57e9a868be90528ab937b42467 [0,1,0,0,0,1|2,0,0]=4 1464 B12R1.226 CC(C)NCc1ccnc(c1)Br 4e955cd75cbd32217324fe06a5f62d16 [0,1,0,0,0,1|2,0,0]=4 1465 B12R1.226 CC(C)NCc1ccnc(c1)Cl c3a0e82e1c5d8e071306a6e2c2031c2a [0,1,0,0,0,1|2,0,0]=4 1466 B12R1.226 CC(C)NCc1ccnc(c1)F 855389c627a9d2d3a26eb81ea5120d6e [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.226 CC(C)NCc1cncc(c1)Cl 1beac4c811c386bd882c5994a0320252 [0,1,0,0,0,1|2,0,0]=4 1468 B12R1.226 CC(C)NCc1cncc(c1)F e2080bbe71ccb9f6d9cbbca121cbe88f [0,1,0,0,0,1|2,0,0]=4 1469 B12R1.226 CC(C)NCc1cncc(n1)Cl beb266a97cc9b37847c137031bb8f85a [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.226 CC(C)NCc1nccc(n1)Cl 0cb7ade68556f6132e4dd03c238727a2 [0,1,0,0,0,1|2,0,0]=4 1471 B12R1.226 CC(C)OCc1cc(ccn1)Br 9932eefd1b7919be677ec4d9584bc46e [0,1,0,0,0,1|1,1,0]=4 1472 B12R1.226 CC(C)OCc1cc(ccn1)Cl 6dc5ed2046731d52a661701cd5d846d3 [0,1,0,0,0,1|1,1,0]=4 1473 B12R1.226 CC(C)OCc1cc(ccn1)F f1226fa30365aecf5c0399c4c40863a8 [0,1,0,0,0,1|1,1,0]=4 1474 B12R1.226 CC(C)OCc1cc(ccn1)I e74abf2de8912acb35da5a89ba1deed6 [0,1,0,0,0,1|1,1,0]=4 1475 B12R1.226 CC(C)OCc1cc(ncn1)Cl c192916a6dba8095836caff57e60455b [0,1,0,0,0,1|1,1,0]=4 1476 B12R1.226 CC(C)OCc1cc[nH]c(=O)c1 85d906cbf41d5a15f8bc6c1395069ebe [0,1,0,0,0,1|1,1,0]=4 1477 B12R1.226 CC(C)OCc1ccc[n+](c1)[O-] d38acb4354d307073691091144cd615b [0,1,0,0,0,1|1,1,0]=4 1478 B12R1.226 CC(C)OCc1cccc(c1)Br 879562350b15275860c09e604131f21c [0,1,0,0,0,1|1,1,0]=4 1479 B12R1.226 CC(C)OCc1cccc(c1)Cl c3629f30972b60636a5bcff8690532c9 [0,1,0,0,0,1|1,1,0]=4 1480 B12R1.226 CC(C)OCc1cccc(c1)F 9a739aed0fdfe4226f0a5132088c54a0 [0,1,0,0,0,1|1,1,0]=4 1481 B12R1.226 CC(C)OCc1cccc(c1)I bf4c5f71e0f6d55a1580b32357b1183d [0,1,0,0,0,1|1,1,0]=4 1482 B12R1.226 CC(C)OCc1cccc(n1)Br 35fa467c36dfbeeeb465ccad65fa5030 [0,1,0,0,0,1|1,1,0]=4 1483 B12R1.226 CC(C)OCc1cccc(n1)Cl 9428a85a94900d1b57fec614b8d404d0 [0,1,0,0,0,1|1,1,0]=4 1484 B12R1.226 CC(C)OCc1cccc(n1)F 97b1015e3c5a2a7f62c00be27b547db2 [0,1,0,0,0,1|1,1,0]=4 1485 B12R1.226 CC(C)OCc1cccc(n1)I bb69f335dbd7852f08b40a535b49fbee [0,1,0,0,0,1|1,1,0]=4 1486 B12R1.226 CC(C)OCc1ccnc(=O)[nH]1 d7ab4a90a6f731f6577f520301c6d1b1 [0,1,0,0,0,1|1,1,0]=4 1487 B12R1.226 CC(C)OCc1ccnc(c1)Br a129fd8f23288caa4054dfc29ac5eb88 [0,1,0,0,0,1|1,1,0]=4 1488 B12R1.226 CC(C)OCc1ccnc(c1)Cl 1cde8935647c5b7477594cd8497eb539 [0,1,0,0,0,1|1,1,0]=4 1489 B12R1.226 CC(C)OCc1ccnc(c1)F 6b057a32826a40ca519dab472d51b7eb [0,1,0,0,0,1|1,1,0]=4 1490 B12R1.226 CC(C)OCc1ccnc(n1)Cl 4c598ff4c8e252bcf4cb319f6bb684cd [0,1,0,0,0,1|1,1,0]=4 1491 B12R1.226 CC(C)OCc1cncc(c1)Br ae9940374847da64ff378c9e72639058 [0,1,0,0,0,1|1,1,0]=4 1492 B12R1.226 CC(C)OCc1cncc(c1)Cl a8d8ad9bc31d1803aaf9b8722356b9ab [0,1,0,0,0,1|1,1,0]=4 1493 B12R1.226 CC(C)OCc1cncc(c1)F 9f506b2078438f04c43df9245dc018b1 [0,1,0,0,0,1|1,1,0]=4 1494 B12R1.226 CC(C)OCc1cncc(c1)I 4b26f759d15ef95a86ae863dc2ee2fb0 [0,1,0,0,0,1|1,1,0]=4 1495 B12R1.226 CC(C)OCc1cncc(n1)Cl 36cff3a82d9a9b0ddcd089b4c4011a1e [0,1,0,0,0,1|1,1,0]=4 1496 B12R1.226 CC(C)OCc1nccc(n1)Cl 646b143ecab9c5cf5384f3d3e1d7f44a [0,1,0,0,0,1|1,1,0]=4 1497 B12R1.226 Cc1cc(ccn1)CNC(C)C 85e45bfc3c207c3638bd5e2c8259642e [0,1,0,0,0,1|2,0,0]=4 1498 B12R1.226 Cc1cc(ccn1)COC(C)C 01df0a32ec3b2c2a15bb77b36a0acd44 [0,1,0,0,0,1|1,1,0]=4 1499 B12R1.226 Cc1cc(ncn1)COC(C)C 0e1ac6110ba104bec41c27b140da7393 [0,1,0,0,0,1|1,1,0]=4 1500 B12R1.226 Cc1cccc(c1)CNC(C)C 409614b24510f7aec784aa24e2d29ef2 [0,1,0,0,0,1|2,0,0]=4 1501 B12R1.226 Cc1cccc(c1)COC(C)C ac14bed03bb08492372420f353b99c52 [0,1,0,0,0,1|1,1,0]=4 1502 B12R1.226 Cc1cccc(n1)CNC(C)C 193c586811e8cd7a5541b12d9c26503c [0,1,0,0,0,1|2,0,0]=4 1503 B12R1.226 Cc1cccc(n1)COC(C)C a8c2bc277290339bbc2222ef578b71a7 [0,1,0,0,0,1|1,1,0]=4 1504 B12R1.226 Cc1ccnc(c1)CNC(C)C 99e05fe61e0126c3de92bf40ba9c20cd [0,1,0,0,0,1|2,0,0]=4 1505 B12R1.226 Cc1ccnc(c1)COC(C)C 9cf6c87bb1aeb8968300667a319e43b5 [0,1,0,0,0,1|1,1,0]=4 1506 B12R1.226 Cc1ccnc(n1)CNC(C)C 64f88864e96139270057b81a8b6f74ac [0,1,0,0,0,1|2,0,0]=4 1507 B12R1.226 Cc1ccnc(n1)COC(C)C 1178c6dd951d2761d5a3bfed7f26df5c [0,1,0,0,0,1|1,1,0]=4 1508 B12R1.226 Cc1cncc(c1)COC(C)C e26c34959a591f33a0f083cd95d6cc72 [0,1,0,0,0,1|1,1,0]=4 1509 B12R1.226 Cc1cnnc(c1)COC(C)C 6123149d868b56ef7c72eedc79084244 [0,1,0,0,0,1|1,1,0]=4 1510 B12R1.226 Cc1nccc(n1)CNC(C)C ef090e9a876132197fde236454b824ff [0,1,0,0,0,1|2,0,0]=4 1511 B12R1.226 Cc1nccc(n1)COC(C)C 80527ab6f145009b3768b6fde34711e0 [0,1,0,0,0,1|1,1,0]=4 1512 B12R1.891 CC(C)(C)NCc1ccccc1 7201c1c22c9fa04427965e3124c0e1d6 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.891 CC(C)(C)NCc1ccccn1 0f37804617340fc0b75b0242b29a7097 [0,1,0,0,0,1|2,0,0]=4 1514 B12R1.891 CC(C)(C)NCc1cccnc1 e3606661dec28ebc372974ee9287b956 [0,1,0,0,0,1|2,0,0]=4 1515 B12R1.891 CC(C)(C)NCc1cccnn1 4586f5f0dfa64f2a19896d23b637ba0f [0,1,0,0,0,1|2,0,0]=4 1516 B12R1.891 CC(C)(C)NCc1ccncn1 19f798a159e69b9ce6a212588f11ccf6 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.891 CC(C)(C)NCc1ncccn1 417baaa94da03106f00a4e2ebaf5a746 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.54 CC(C)CCN(C)c1ncco1 3e22376d2c5fefef92076cb3959e9614 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.54 CC(C)CNC(=O)c1ccco1 30af187b533e7dcd58f9654a3fbfb2e8 [0,1,0,0,0,1|1,0,1]=4 1520 B12R1.54 CC(C)CNC(C)c1ccco1 475db0a0836b2967c97da4609f8cef12 [0,1,0,0,0,1|1,0,0]=3 1521 B12R1.54 CC(C)CNC(C)c1cccs1 1e9ced195b0a05f4dad4c1b546a63abc [0,1,0,0,0,1|1,1,0]=4 1522 B12R1.54 CC(C)CNC(C)c1ncco1 9b0ea0b99cb20544e3b5352929f237f8 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.54 CC(C)CN[C@@H](C)c1cccs1 74da6ca8f4b96f9972ab42f83b72fa65 [0,1,0,0,0,1|1,1,0]=4 1524 B12R1.54 CC(C)CN[C@H](C)c1ccco1 53f5d652be06d8c035fa516801011663 [0,1,0,0,0,1|1,0,0]=3 1525 B12R1.54 CC(C)CN[C@H](C)c1cccs1 c7cf65a7c31e4d479e4b6ef24fd21ea5 [0,1,0,0,0,1|1,1,0]=4 1526 B12R1.54 CC(C)COC(C)c1ccco1 8ace6a60ef821ddf64e47ec5a5561609 [0,1,0,0,0,1|0,1,0]=3 1527 B12R1.54 CC(C)COC(C)c1cccs1 6b1ed5353da8c687e60bad49124ffdb9 [0,1,0,0,0,1|0,2,0]=4 1528 B12R1.54 CC(C)COC(C)c1ncco1 e88ab6a34bc1294381bcc9e2dbc246ee [0,1,0,0,0,1|1,1,0]=4 1529 B12R1.54 CC(C)CO[C@@H](C)c1cccs1 6973978ef62acc7e2d6b8fba09b97b73 [0,1,0,0,0,1|0,2,0]=4 1530 B12R1.54 CC(C)CO[C@H](C)c1ccco1 930ff0b3ee66e2fa08a5706751038aa8 [0,1,0,0,0,1|0,1,0]=3 1531 B12R1.54 CC(C)CO[C@H](C)c1cccs1 e5004e650de6544e4f4936b26523899d [0,1,0,0,0,1|0,2,0]=4 1532 B12R1.54 CC(C)NCC(O)c1ccco1 49cb4ceb33e9067d3f8f92e972802f32 [0,1,0,0,0,1|1,0,0]=3 1533 B12R1.54 CC(C)NCC(O)c1cccs1 fae4d7043c9d49990e2e63fcf6dd488c [0,1,0,0,0,1|1,1,0]=4 1534 B12R1.54 CC(C)OCC(=O)c1ccco1 155a55d88c82b5f16ab2135ef10deadb [0,1,0,0,0,1|0,1,0]=3 1535 B12R1.54 CC(C)OCC(=O)c1cccs1 22cb4ffc6a69bfbbdf24fe51b56bf0b4 [0,1,0,0,0,1|0,2,0]=4 1536 B12R1.54 CC(C)OCC(=O)c1ncco1 cd749e65345f298a720d3f4756ba10f6 [0,1,0,0,0,1|1,1,0]=4 1537 B12R1.54 CC(C)OCN(C)c1ncco1 2126c43bfd4f241149a94c89d0c29fd7 [0,1,0,0,0,1|1,1,0]=4 1538 B12R1.54 CC(NC[C@H](C)O)c1ccco1 e495f95fdd8e68c698ec7a0d8c2185e6 [0,1,0,0,0,1|2,0,0]=4 1539 B12R1.54 CC(O)CNC(C)c1ccco1 d8b1a4441c91165d083a1525e17c5312 [0,1,0,0,0,1|2,0,0]=4 1540 B12R1.54 CC(O)CN[C@H](C)c1ccco1 02dba8e714dc1925212bc4631aa7ec3f [0,1,0,0,0,1|2,0,0]=4 1541 B12R1.54 CC(OCN(C)C)c1ccco1 722b21ab2aae3aaad28415b489cc8c33 [0,1,0,0,0,1|1,1,0]=4 1542 B12R1.54 C[C@@H](OCN(C)C)c1ccco1 975cd7fa54d9eb39c65293c4fc6bbd16 [0,1,0,0,0,1|1,1,0]=4 1543 B12R1.54 C[C@H](O)CN[C@H](C)c1ccco1 57cd549502fd98a30ab44b495d95f490 [0,1,0,0,0,1|2,0,0]=4 1544 B12R1.105 CC(=CCNc1cc(co1)C)C 5c444ae27019885531eafcc2a2988e40 [0,1,0,0,0,1|1,0,1]=4 1545 B12R1.105 CC(=CCNc1ccc(o1)C)C 4f3bbd1dd31f5dd38f11fa4a07186890 [0,1,0,0,0,1|1,0,1]=4 1546 B12R1.105 CC(C)CCNc1cc(=O)[nH]o1 22bc202ea54445de8e385f722dfa2b1b [0,1,0,0,0,1|2,0,0]=4 1547 B12R1.105 CC(C)CCNc1ccc(s1)Br 52665fe056456da844f803d018be774c [0,1,0,0,0,1|1,1,0]=4 1548 B12R1.105 CC(C)CCNc1ccc(s1)F 741283ba6af9a55a672631731172a828 [0,1,0,0,0,1|1,1,0]=4 1549 B12R1.105 CC(C)CCNc1nc(co1)Br 735b9d3abf2477b2e089bb9435fc792c [0,1,0,0,0,1|2,0,0]=4 1550 B12R1.105 CC(C)CCOC1C=CC(=O)O1 9b4207463df0c52db32baab9ef57ee02 [0,1,0,0,0,1|1,0,1]=4 1551 B12R1.105 CC(C)CCOc1ccc(s1)Br 4bc8952af7e340bcb60661c119b05b10 [0,1,0,0,0,1|1,1,0]=4 1552 B12R1.105 CC(C)CNCc1cc(=O)[nH]o1 545d0293204604795a003f3d27de83c0 [0,1,0,0,0,1|2,0,0]=4 1553 B12R1.105 CC(C)CNCc1cc(c[nH]1)Br 31985044f1a5f7ac386e531f40eb3161 [0,1,0,0,0,1|2,0,0]=4 1554 B12R1.105 CC(C)CNCc1cc(cs1)Br 907e47cc6dd22932f61f96c74632b248 [0,1,0,0,0,1|1,1,0]=4 1555 B12R1.105 CC(C)CNCc1cc(cs1)Cl bc3b2ba9ffde5bf888773f055c148199 [0,1,0,0,0,1|1,1,0]=4 1556 B12R1.105 CC(C)CNCc1cc(no1)Br 7a3128c69034d32d584818e27d606fea [0,1,0,0,0,1|2,0,0]=4 1557 B12R1.105 CC(C)CNCc1ccc(o1)Br 92fc1bb57e15147f20151b116326f44b [0,1,0,0,0,1|1,0,0]=3 1558 B12R1.105 CC(C)CNCc1ccc(s1)Br 706b752d9673d0bab0ea31c293635324 [0,1,0,0,0,1|1,1,0]=4 1559 B12R1.105 CC(C)CNCc1ccc(s1)Cl 59b61661be0089ce36a47ce09142d177 [0,1,0,0,0,1|1,1,0]=4 1560 B12R1.105 CC(C)CNCc1ccc(s1)F 98ade52a1febf47850b154f44a2494c7 [0,1,0,0,0,1|1,1,0]=4 1561 B12R1.105 CC(C)CNCc1coc(=O)o1 929f0d53c853916e7817a2d92198f285 [0,1,0,0,0,1|2,0,0]=4 1562 B12R1.105 CC(C)CNCc1ncc(o1)Br bf4b3e1488ffc7795c144d96fdee420f [0,1,0,0,0,1|2,0,0]=4 1563 B12R1.105 CC(C)COCC1C=CC(=O)O1 7061d40c148dd0308f48817d3b980965 [0,1,0,0,0,1|0,1,1]=4 1564 B12R1.105 CC(C)COC[C@@H]1C=CC(=O)O1 4a7f2256e414420a378288c48e281dc2 [0,1,0,0,0,1|0,1,1]=4 1565 B12R1.105 CC(C)COCc1cc(co1)Br 6b8ef0654c9e053b8072254d67a385d0 [0,1,0,0,0,1|0,1,0]=3 1566 B12R1.105 CC(C)COCc1cc(cs1)Br e5781aa1e74c62c488b4fd49c3fc231e [0,1,0,0,0,1|0,2,0]=4 1567 B12R1.105 CC(C)COCc1cc(cs1)Cl 821878d82838a13e536caa2930bb39c3 [0,1,0,0,0,1|0,2,0]=4 1568 B12R1.105 CC(C)COCc1cc(no1)Br f478dfd3c06c334d136ac31d242515d0 [0,1,0,0,0,1|1,1,0]=4 1569 B12R1.105 CC(C)COCc1ccc(o1)Br 47a616c62292f9997e8fdd0845d31104 [0,1,0,0,0,1|0,1,0]=3 1570 B12R1.105 CC(C)COCc1ccc(s1)Br 41c9a2a54068022468a723f0752fe12a [0,1,0,0,0,1|0,2,0]=4 1571 B12R1.105 CC(C)COCc1ccc(s1)Cl 59e2b6e050b03bdd4323d7e5168727d1 [0,1,0,0,0,1|0,2,0]=4 1572 B12R1.105 CC(C)COCc1ccc(s1)F 3d6c01e6ae70e32b4895bfbb520ce12e [0,1,0,0,0,1|0,2,0]=4 1573 B12R1.105 CC(C)COCc1coc(=O)o1 da0816d7d61f122c75b328065b84d4ca [0,1,0,0,0,1|1,1,0]=4 1574 B12R1.105 CC(C)COCc1nc(co1)Br b1619129fceb9421816cdc374b23d98a [0,1,0,0,0,1|1,1,0]=4 1575 B12R1.105 CC(C)COCc1ncc(o1)Br c41f199b1f7f5feebc8ccffbb7e840e9 [0,1,0,0,0,1|1,1,0]=4 1576 B12R1.105 CC(C)NCCc1ccc(s1)Br 98e12df2f08a79992531795c590c1578 [0,1,0,0,0,1|1,1,0]=4 1577 B12R1.105 CC(C)OCCc1cc(no1)Br 115c0f1c4e8fd698a4c36a4bd508510c [0,1,0,0,0,1|1,1,0]=4 1578 B12R1.105 CC(C)OCNc1cc(=O)[nH]o1 454baa2efb72d0086f75aa42df80e5d4 [0,1,0,0,0,1|1,1,0]=4 1579 B12R1.105 CC(C)OCNc1ccc(s1)Br 9044da841e4be62600357e40432482d2 [0,1,0,0,0,1|0,2,0]=4 1580 B12R1.105 CC(C)OCNc1nc(co1)Br 181194374214d1e9dd8ab3300ee70544 [0,1,0,0,0,1|1,1,0]=4 1581 B12R1.105 CC(C)OCOC1C=CC(=O)O1 fd62d2a69468bbbfd7ccfbf812e2d187 [0,1,0,0,0,1|0,1,1]=4 1582 B12R1.105 CC(C)OCOc1ccc(s1)Br de59b75ff679031d2a23ea3d29118add [0,1,0,0,0,1|0,2,0]=4 1583 B12R1.105 CC(O)CNCc1ccc(o1)Br 6f549d69cda1769b645d5d28f4804e31 [0,1,0,0,0,1|2,0,0]=4 1584 B12R1.105 CN(C)CNCc1ccc(o1)Br b7cbbc4a05a06879bb619c9294acc7fb [0,1,0,0,0,1|2,0,0]=4 1585 B12R1.105 CN(C)COCc1cc(co1)Br 95587523383cbd7d106fee974fe5ec52 [0,1,0,0,0,1|1,1,0]=4 1586 B12R1.105 CN(C)COCc1ccc(o1)Br 9f9699624d151d19da41e1eb41b003c7 [0,1,0,0,0,1|1,1,0]=4 1587 B12R1.105 C[C@@H](O)CNCc1ccc(o1)Br e4678440463146daecf5f9f1b8e7c300 [0,1,0,0,0,1|2,0,0]=4 1588 B12R1.105 C[C@H](O)CNCc1ccc(o1)Br 86c24e5be497bbef913ed19e061ccd2f [0,1,0,0,0,1|2,0,0]=4 1589 B12R1.105 Cc1cc(on1)CCOC(C)C c830fc7a798c90746ca4df57c5113e75 [0,1,0,0,0,1|1,1,0]=4 1590 B12R1.105 Cc1cc(on1)CNCC(C)C ae248aac946029210480e0a159bbe0fe [0,1,0,0,0,1|2,0,0]=4 1591 B12R1.105 Cc1cc(on1)COCC(C)C c9f5cfea51c883c099a0ffa38377776b [0,1,0,0,0,1|1,1,0]=4 1592 B12R1.105 Cc1cc(on1)NCCC(C)C 19d16a53bde40f2155a4951c3796305c [0,1,0,0,0,1|2,0,0]=4 1593 B12R1.105 Cc1cc(on1)NCOC(C)C f108a37a115df5abbce54b140b0c7cc6 [0,1,0,0,0,1|1,1,0]=4 1594 B12R1.105 Cc1ccc(o1)CCNC(C)C b2ee7cbae6ede6e6184fc6d0b380ccc8 [0,1,0,0,0,1|1,0,0]=3 1595 B12R1.105 Cc1ccc(o1)CCOC(C)C db215aa95f6116e9a2507eef8a5e6e57 [0,1,0,0,0,1|0,1,0]=3 1596 B12R1.105 Cc1ccc(o1)CNCC(C)C 1f90d7f8b2d56a96cb9415d86f4aea90 [0,1,0,0,0,1|1,0,0]=3 1597 B12R1.105 Cc1ccc(o1)CNCC(C)O 6a772e92021d46963194038b2175a113 [0,1,0,0,0,1|2,0,0]=4 1598 B12R1.105 Cc1ccc(o1)CNCN(C)C 981a0ee91602f5a3d49b137d7899b070 [0,1,0,0,0,1|2,0,0]=4 1599 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O 5125fe5c2df2c227fbf36e7cda267273 [0,1,0,0,0,1|2,0,0]=4 1600 B12R1.105 Cc1ccc(o1)CNC[C@H](C)O 36704b8bd9b2416488edc5869bca1a03 [0,1,0,0,0,1|2,0,0]=4 1601 B12R1.105 Cc1ccc(o1)COCC(C)C 089baad180046fcd6da66e44d56848a1 [0,1,0,0,0,1|0,1,0]=3 1602 B12R1.105 Cc1ccc(o1)COCN(C)C 77c80f339da169986e38526bd87e901b [0,1,0,0,0,1|1,1,0]=4 1603 B12R1.105 Cc1ccc(o1)NCCC(C)C e5c07e37a2a9e483cb96b9bebe54aabe [0,1,0,0,0,1|1,0,0]=3 1604 B12R1.105 Cc1ccc(o1)NCCC(C)O 6598c16ab58cfbe5d9a26936b9c29572 [0,1,0,0,0,1|2,0,0]=4 1605 B12R1.105 Cc1ccc(o1)NCCN(C)C 3f3099bb14461b473072b4541c2d6799 [0,1,0,0,0,1|2,0,0]=4 1606 B12R1.105 Cc1ccc(o1)NCC[C@@H](C)O 3fe5b979ecf84822bb474b89217b98ed [0,1,0,0,0,1|2,0,0]=4 1607 B12R1.105 Cc1ccc(o1)NCC[C@H](C)O a04b7b14f4ede1c5ef45f9526148d4a5 [0,1,0,0,0,1|2,0,0]=4 1608 B12R1.105 Cc1ccc(s1)CCNC(C)C c228fcb4b31bbf30d81b660fe3a54c99 [0,1,0,0,0,1|1,1,0]=4 1609 B12R1.105 Cc1ccc(s1)CNCC(C)C cf0c224ff9f426b6a1957f92149c7532 [0,1,0,0,0,1|1,1,0]=4 1610 B12R1.105 Cc1ccc(s1)COCC(C)C 08bc932023e0d5585e3f6212ac6b9bb6 [0,1,0,0,0,1|0,2,0]=4 1611 B12R1.105 Cc1ccc(s1)NCCC(C)C e2173d8494548bf3bce5232eea216ce9 [0,1,0,0,0,1|1,1,0]=4 1612 B12R1.105 Cc1ccc(s1)NCOC(C)C 31d963b4227fbb95562a472176e41bb3 [0,1,0,0,0,1|0,2,0]=4 1613 B12R1.105 Cc1cnc(o1)CCNC(C)C da0d0bb196c0cc916a6f4ef63eb728f6 [0,1,0,0,0,1|2,0,0]=4 1614 B12R1.105 Cc1cnc(o1)CNCC(C)C fb2820ceeeb65b7422f8e41a90982855 [0,1,0,0,0,1|2,0,0]=4 1615 B12R1.105 Cc1cnc(o1)COCC(C)C bc357f2964ad92cc7fc3c0f40ec67fb7 [0,1,0,0,0,1|1,1,0]=4 1616 B12R1.105 Cc1cnc(o1)NCCC(C)C b074ae1305a6f9415256246fc96f59b8 [0,1,0,0,0,1|2,0,0]=4 1617 B12R1.105 Cc1cnc(o1)NCOC(C)C 742e8fcf65ecf6ba913f43edede3551e [0,1,0,0,0,1|1,1,0]=4 1618 B12R1.105 Cc1coc(c1)CNCC(C)C bd0fca1955cfa6a46a57e4383cc3879e [0,1,0,0,0,1|1,0,0]=3 1619 B12R1.105 Cc1coc(c1)CNCC(C)O e610a40eefd72c2ed82f32140feadd9f [0,1,0,0,0,1|2,0,0]=4 1620 B12R1.105 Cc1coc(c1)CNCN(C)C 4f648bac2db4bd7b27cb20d8d8fe23a5 [0,1,0,0,0,1|2,0,0]=4 1621 B12R1.105 Cc1coc(c1)CNC[C@@H](C)O 640b14cb028f3ae1b5ca100dd6c8a15b [0,1,0,0,0,1|2,0,0]=4 1622 B12R1.105 Cc1coc(c1)CNC[C@H](C)O 8ec2a14c75b7aa61b45bf0edc58331c8 [0,1,0,0,0,1|2,0,0]=4 1623 B12R1.105 Cc1coc(n1)CNCC(C)C 3c5d419a9cbc748246d33859677bc9d1 [0,1,0,0,0,1|2,0,0]=4 1624 B12R1.105 Cc1coc(n1)NCCC(C)C 23f46c7a145fd76aafc171e47a83e6e4 [0,1,0,0,0,1|2,0,0]=4 1625 B12R1.105 Cc1coc(n1)NCOC(C)C d1be8cdac7df226e98881b2a107d316a [0,1,0,0,0,1|1,1,0]=4 1626 B12R1.105 Cc1csc(c1)CNCC(C)C f34bdf2d20aeb9a7b8e95bd1f322b22f [0,1,0,0,0,1|1,1,0]=4 1627 B12R1.105 Cc1csc(c1)COCC(C)C 973392dd4ee9032caed546fd642e1f3c [0,1,0,0,0,1|0,2,0]=4 1628 B12R1.105 Cc1csc(c1)OCCC(C)C a95f84390c2908d9e737b3052a8ca827 [0,1,0,0,0,1|1,1,0]=4 1629 B12R1.105 Cc1csc(c1)OCOC(C)C 3b54b02e420783a581048d655a85f5f1 [0,1,0,0,0,1|0,2,0]=4 1630 B12R1.105 Cc1ncc(o1)CNCC(C)C 20f37b63ecb1522c13d7172b7418e12b [0,1,0,0,0,1|2,0,0]=4 1631 B12R1.105 Cc1ncc(o1)COCC(C)C 1ff914b90620da69a6c98995635b1ca0 [0,1,0,0,0,1|1,1,0]=4 1632 B12R1.105 Cc1ncc(o1)NCCC(C)C 8b43501b189fd8628c002ee1ecb6c2c0 [0,1,0,0,0,1|2,0,0]=4 1633 B12R1.105 Cc1ncc(o1)NCOC(C)C 3b4dec7c7c7120a4a237e976f6933632 [0,1,0,0,0,1|1,1,0]=4 1634 B12R1.130 CC(C)CCOc1cccn1C a4ec78e8a5670a78df06c039045914c7 [0,1,0,0,0,1|2,0,0]=4 1635 B12R1.130 CC(C)CNCc1cccn1C 70c7bff8e928de7471336a1bb48c71c8 [0,1,0,0,0,1|2,0,0]=4 1636 B12R1.130 CC(C)CNCc1sccc1Br 5da7a64ac9532582a9e3f4ec80f7043b [0,1,0,0,0,1|1,1,0]=4 1637 B12R1.130 CC(C)CNCc1sccc1Cl 3ace20618dea404d67582b39590351aa [0,1,0,0,0,1|1,1,0]=4 1638 B12R1.130 CC(C)CNCc1sccc1F 080b6149ad60b0aeb519d65ae2121736 [0,1,0,0,0,1|1,1,0]=4 1639 B12R1.130 CC(C)COCc1cccn1C 67213a43635db0583e0feaf9a2457c5f [0,1,0,0,0,1|1,1,0]=4 1640 B12R1.130 CC(C)COCc1occc1Br 934fa30b1456a808990a030680513fd5 [0,1,0,0,0,1|0,1,0]=3 1641 B12R1.130 CC(C)COCc1sccc1Br 4f01a43dcaa9b30d09bd3d3a94bd07ff [0,1,0,0,0,1|0,2,0]=4 1642 B12R1.130 CC(C)COCc1sccc1Cl c389e34211a5c1e81a8a39616644f7af [0,1,0,0,0,1|0,2,0]=4 1643 B12R1.130 CC(C)COCc1sccc1F 1ec9321eb65cb979d323091452adb6cd [0,1,0,0,0,1|0,2,0]=4 1644 B12R1.130 CC(C)NCCc1cccn1C 4494c112e9be2538280f391b0c1d91c3 [0,1,0,0,0,1|2,0,0]=4 1645 B12R1.130 CC(C)OCCc1cccn1C 56583b4ac9c04a7bc1e5d03154c27e97 [0,1,0,0,0,1|1,1,0]=4 1646 B12R1.130 CC(C)OCOc1cccn1C 54c9e76690c6733c55bbb732baa6b2ef [0,1,0,0,0,1|1,1,0]=4 1647 B12R1.130 CN(C)COCc1occc1Br 0c5dca890918af54ee50ef884e668e41 [0,1,0,0,0,1|1,1,0]=4 1648 B12R1.130 Cc1ccoc1CNCC(C)C 07750009f735335dbefbc643a017944b [0,1,0,0,0,1|1,0,0]=3 1649 B12R1.130 Cc1ccoc1CNCC(C)O b88bd018aa7644c5779af1e011fee75c [0,1,0,0,0,1|2,0,0]=4 1650 B12R1.130 Cc1ccoc1CNCN(C)C 4f3aa0786352f9f652f71d4d92279802 [0,1,0,0,0,1|2,0,0]=4 1651 B12R1.130 Cc1ccoc1CNC[C@@H](C)O afa0c9f65d1bd8c91e39c8f1b84e2c41 [0,1,0,0,0,1|2,0,0]=4 1652 B12R1.130 Cc1ccoc1CNC[C@H](C)O f14373bba77f63b64ba208236fb182ce [0,1,0,0,0,1|2,0,0]=4 1653 B12R1.130 Cc1ccoc1COCC(C)C 4b73f669ad7b03103b38200d73f3ff29 [0,1,0,0,0,1|0,1,0]=3 1654 B12R1.130 Cc1ccoc1COCN(C)C 1c26bb76f4400aa07786b40415874079 [0,1,0,0,0,1|1,1,0]=4 1655 B12R1.130 Cc1ccsc1CCNC(C)C b978101b172099790f23144f30ffa1f9 [0,1,0,0,0,1|1,1,0]=4 1656 B12R1.130 Cc1ccsc1COCC(C)C cd74728308fa17b945a1b86e0e2644d4 [0,1,0,0,0,1|0,2,0]=4 1657 B12R1.130 Cc1ccsc1NCCC(C)C b9062681752dba93d52afc1d69bead6f [0,1,0,0,0,1|1,1,0]=4 1658 B12R1.130 Cc1cnoc1COCC(C)C 330b36bbed2f1d3b66bdc63ee213716f [0,1,0,0,0,1|1,1,0]=4 1659 B12R1.130 Cc1cnoc1NCCC(C)C 52097367e0bbbb0647aaf061cad6a8a5 [0,1,0,0,0,1|2,0,0]=4 1660 B12R1.130 Cc1cnoc1NCOC(C)C a669f5e40736e9d72b6129cc1d457017 [0,1,0,0,0,1|1,1,0]=4 1661 B12R1.130 Cc1ncoc1COCC(C)C e7cf9dc9bf7d8b25aa34e3e3801a26d1 [0,1,0,0,0,1|1,1,0]=4 1662 B12R1.260 CC(C)CC(C)Nc1cccs1 c66b870449b09b5064fda3ac0870fd82 [0,1,0,0,0,1|1,1,0]=4 1663 B12R1.260 CC(C)CC(C)Nc1ccno1 6b176609a5deeff77d8e0d6dbc1e3340 [0,1,0,0,0,1|2,0,0]=4 1664 B12R1.260 CC(C)CC(C)Nc1ncco1 be975eda1c05b959fcf36ce0efc8ffa2 [0,1,0,0,0,1|2,0,0]=4 1665 B12R1.260 CC(C)CC(C)Oc1ccco1 22990aa6dfc98eff0004812e0a2bfe34 [0,1,0,0,0,1|1,0,0]=3 1666 B12R1.260 CC(C)CC(C)Oc1cccs1 b17ea48cb7efa3ee29fee1a20b78fc00 [0,1,0,0,0,1|1,1,0]=4 1667 B12R1.260 CC(C)CN(C)Cc1ccc[nH]1 d370c336cfb14ba8cde0811c832338ff [0,1,0,0,0,1|2,0,0]=4 1668 B12R1.260 CC(C)CN(C)Cc1ccco1 9cdc4c2b76176b5179d0e2ae9107aff6 [0,1,0,0,0,1|1,0,0]=3 1669 B12R1.260 CC(C)CN(C)Cc1cccs1 4950b3484f18aae35ddf94a6a55dd30f [0,1,0,0,0,1|1,1,0]=4 1670 B12R1.260 CC(C)CN(C)Cc1ccno1 dafccd147b36a7660f4150058562f473 [0,1,0,0,0,1|2,0,0]=4 1671 B12R1.260 CC(C)CN(C)Cc1ncco1 078538033d09f78b3ee9b75fe465a18f [0,1,0,0,0,1|2,0,0]=4 1672 B12R1.260 CC(C)NC(C)Cc1ccc[nH]1 8ad4ed9d03378162b2987ebcdc0b7894 [0,1,0,0,0,1|2,0,0]=4 1673 B12R1.260 CC(C)NC(C)Cc1ccco1 e305670197bd38fcc9de256a55bb2321 [0,1,0,0,0,1|1,0,0]=3 1674 B12R1.260 CC(O)CN(C)Cc1ccco1 0e9e81b44ef67d2931cd5b4d20d7d096 [0,1,0,0,0,1|2,0,0]=4 1675 B12R1.260 CN(C)CN(C)Cc1ccco1 1b6ae9c1f2f47c957d518fe77a4a2f54 [0,1,0,0,0,1|2,0,0]=4 1676 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 d634f2458e98d668c0872a0082ed4d87 [0,1,0,0,0,1|2,0,0]=4 1677 B12R1.260 C[C@H](O)CN(C)Cc1ccco1 76b0132e516fd3b81813540791122765 [0,1,0,0,0,1|2,0,0]=4 1678 B12R1.264 CC(C)C(=O)CNc1cccs1 1a9aa8b6cdca285cc12ca001cbf7e868 [0,1,0,0,0,1|1,1,0]=4 1679 B12R1.264 CC(C)C(=O)CNc1ccno1 cf9811efd2451449b49156e702345a79 [0,1,0,0,0,1|2,0,0]=4 1680 B12R1.264 CC(C)C(=O)CNc1ncco1 8073013591994e515acdeb812225c58e [0,1,0,0,0,1|2,0,0]=4 1681 B12R1.264 CC(C)C(=O)COc1ccco1 ec9b5b3b63c96a96d0c5a90e1f10c900 [0,1,0,0,0,1|1,0,0]=3 1682 B12R1.264 CC(C)C(=O)COc1cccs1 b0c4d2846ce3a7904f66368ca5566922 [0,1,0,0,0,1|1,1,0]=4 1683 B12R1.264 CC(C)C(C)CNc1cccs1 17d06f796966ef6e490fd65c15e75714 [0,1,0,0,0,1|1,1,0]=4 1684 B12R1.264 CC(C)C(C)CNc1ccno1 ab3864d767660dbd784a26f085e15b62 [0,1,0,0,0,1|2,0,0]=4 1685 B12R1.264 CC(C)C(C)CNc1ncco1 5281d9de2e3155e2cc42d93383e093fc [0,1,0,0,0,1|2,0,0]=4 1686 B12R1.264 CC(C)C(C)COc1ccco1 fe3e63a209570621153e92521115ee03 [0,1,0,0,0,1|1,0,0]=3 1687 B12R1.264 CC(C)C(C)COc1cccs1 1880efc04c53f7feda035242642a3ef1 [0,1,0,0,0,1|1,1,0]=4 1688 B12R1.264 CC(C)C(C)NCc1ccc[nH]1 eb731c6091ec3c230bc1c4501537927d [0,1,0,0,0,1|2,0,0]=4 1689 B12R1.264 CC(C)C(C)NCc1ccco1 4f02dd434dfcd1475dde6eef1799a75c [0,1,0,0,0,1|1,0,0]=3 1690 B12R1.264 CC(C)C(C)NCc1cccs1 dbac469ffd3ffdf21c5301996f84f801 [0,1,0,0,0,1|1,1,0]=4 1691 B12R1.264 CC(C)C(C)NCc1ccno1 210888b9e42fefd2c79a4e9ec41004a4 [0,1,0,0,0,1|2,0,0]=4 1692 B12R1.264 CC(C)C(C)NCc1cnco1 493ff9fb82e1558c0b1d968c4ee7b14e [0,1,0,0,0,1|2,0,0]=4 1693 B12R1.264 CC(C)C(C)NCc1ncco1 3af851b68314637664fe67bcb2db5db6 [0,1,0,0,0,1|2,0,0]=4 1694 B12R1.264 CC(C)C(C)OCc1ccc[nH]1 3f17e3f95696d3c266ef76168484983b [0,1,0,0,0,1|1,1,0]=4 1695 B12R1.264 CC(C)C(C)OCc1cccs1 fa63132d9159c9ee5f25a2b5f49873f6 [0,1,0,0,0,1|0,2,0]=4 1696 B12R1.264 CC(C)C(C)OCc1ccno1 d98ce1660ef7a92811f2988191adb801 [0,1,0,0,0,1|1,1,0]=4 1697 B12R1.264 CC(C)C(C)OCc1cnco1 5591137c7c02503f4cff3a92f6c789b6 [0,1,0,0,0,1|1,1,0]=4 1698 B12R1.264 CC(C)C(C)OCc1ncco1 a41292e7af0892280f7cb88a98c46a15 [0,1,0,0,0,1|1,1,0]=4 1699 B12R1.264 CC(C)C(O)CNc1ncco1 9d62d617f6f1b1de36b3207bc9326b04 [0,1,0,0,0,1|2,0,0]=4 1700 B12R1.264 CC(C)N(C)CCc1cccs1 8c4831d55fd29c6dc20ddd281e499b28 [0,1,0,0,0,1|1,1,0]=4 1701 B12R1.264 CC(C)[C@@H](C)NCc1cccs1 a7cab616c7a799603b9e422c1449c507 [0,1,0,0,0,1|1,1,0]=4 1702 B12R1.264 CC(C)[C@@H](C)NCc1ccno1 e9fa7ffa9372241c682387ff688f3e6c [0,1,0,0,0,1|2,0,0]=4 1703 B12R1.264 CC(C)[C@@H](C)NCc1ncco1 d08b83f9d4a2b6b71337919550e91807 [0,1,0,0,0,1|2,0,0]=4 1704 B12R1.264 CC(C)[C@@H](C)OCc1cccs1 fe89851ade8b5e75aa05059424b5a352 [0,1,0,0,0,1|0,2,0]=4 1705 B12R1.264 CC(C)[C@@H](C)OCc1ccno1 c9ae03554cc122a635cf64ac6edb1197 [0,1,0,0,0,1|1,1,0]=4 1706 B12R1.264 CC(C)[C@@H](C)OCc1ncco1 75fe9874efcf203cd6bfb609a9ef02c7 [0,1,0,0,0,1|1,1,0]=4 1707 B12R1.264 CC(C)[C@H](C)NCc1cccs1 bff3fd141ddf996983d6d2b4125a44ab [0,1,0,0,0,1|1,1,0]=4 1708 B12R1.264 CC(C)[C@H](C)NCc1ccno1 5a45c29e64885105e800ab89ec3ab9e2 [0,1,0,0,0,1|2,0,0]=4 1709 B12R1.264 CC(C)[C@H](C)NCc1ncco1 3e8425f415b1a9b5dd6596aae1ea3b49 [0,1,0,0,0,1|2,0,0]=4 1710 B12R1.264 CC(C)[C@H](C)OCc1cccs1 3e9f9be192af862337c722be6013fd76 [0,1,0,0,0,1|0,2,0]=4 1711 B12R1.264 CC(C)[C@H](C)OCc1ccno1 1ccfeb53c22489c420f909d995eaa080 [0,1,0,0,0,1|1,1,0]=4 1712 B12R1.264 CC(C)[C@H](C)OCc1ncco1 4e3e5ae8b11419e40396c9506ad20958 [0,1,0,0,0,1|1,1,0]=4 1713 B12R1.264 CC(F)C(=O)NCc1ccco1 ee7e7faa73674aa5183678afd4203464 [0,1,0,0,0,1|2,0,0]=4 1714 B12R1.264 CC(O)C(=O)NCc1ccco1 ba06c61d1c034d19fd203f28d57906c2 [0,1,0,0,0,1|2,0,0]=4 1715 B12R1.264 CC(O)C(C)NCc1ccco1 fd0f5e0f168fe2f08321a6017186d7a7 [0,1,0,0,0,1|2,0,0]=4 1716 B12R1.264 CC(S)C(=O)NCc1ccco1 176754d71cd4ec6bf47a9a6f5adce0b2 [0,1,0,0,0,1|2,0,0]=4 1717 B12R1.264 CN(C)C(=O)CNc1ccco1 66a5865b03be952b6d8411595ce922cf [0,1,0,0,0,1|2,0,0]=4 1718 B12R1.264 CN(C)C(=O)COc1ccco1 addb82d9c903c835d424919119ac3dfb [0,1,0,0,0,1|2,0,0]=4 1719 B12R1.264 C[C@@H](F)C(=O)NCc1ccco1 03956efbf95040b49ae9112d62a66893 [0,1,0,0,0,1|2,0,0]=4 1720 B12R1.264 C[C@@H](O)C(=O)NCc1ccco1 c5bca41c2a2724c79476538bf6a08740 [0,1,0,0,0,1|2,0,0]=4 1721 B12R1.264 C[C@H](F)C(=O)NCc1ccco1 fb095c27287df205cd6f81f1ee6c13bc [0,1,0,0,0,1|2,0,0]=4 1722 B12R1.264 C[C@H](O)C(=O)NCc1ccco1 a705f501bd664a1f29957811b75bd21b [0,1,0,0,0,1|2,0,0]=4 1723 B12R1.477 BrCC(Br)CNCc1ccco1 26d47f1d2ff70c83970cb31508e13c89 [0,1,0,0,0,1|2,0,0]=4 1724 B12R1.477 BrCC(Br)COCc1ccco1 8fe9c2aa5cbb0ac8f36286437c703a48 [0,1,0,0,0,1|1,1,0]=4 1725 B12R1.477 C=CC(C)COCc1ccco1 d80556846c4492beb29aba12151aec3d [0,1,0,0,0,1|0,1,1]=4 1726 B12R1.477 C=CC(C)NCCc1ccco1 f6815c0570f9c846f49bc5828795275b [0,1,0,0,0,1|1,0,1]=4 1727 B12R1.477 C=CC(C)OCCc1ccco1 71675fb601220f2ddc778805c998052b [0,1,0,0,0,1|0,1,1]=4 1728 B12R1.477 CC(C#N)CNCc1ccco1 e2378c73bbc66d70a4b4daa1f9a60782 [0,1,0,0,0,1|1,0,1]=4 1729 B12R1.477 CC(C#N)COCc1ccco1 bb09c05070db1192420ade599fb3f613 [0,1,0,0,0,1|0,1,1]=4 1730 B12R1.477 CC(C=O)NCCc1ccco1 74c805978d89fb335630f3e0efc6cf33 [0,1,0,0,0,1|1,0,1]=4 1731 B12R1.477 CC(C=O)OCCc1ccco1 ab33596ad02716f50eb32de5fbdc10c2 [0,1,0,0,0,1|0,1,1]=4 1732 B12R1.477 CC(CF)OCCc1cccs1 5b809c80454487c23d6e7d50a7ac183f [0,1,0,0,0,1|0,2,0]=4 1733 B12R1.477 CC(CO)CCNc1ccco1 f44130ab2a7be1f846b1268baba7ea22 [0,1,0,0,0,1|1,0,0]=3 1734 B12R1.477 CC(CO)CCNc1cccs1 c33f51a808f1bbeadc2921e4acddc180 [0,1,0,0,0,1|1,1,0]=4 1735 B12R1.477 CC(CO)CCNc1ccno1 4f4b7055bdc3ed0c94a5ba6d7bf4aa05 [0,1,0,0,0,1|2,0,0]=4 1736 B12R1.477 CC(CO)CCNc1ncco1 700b0b4ed2fb84859da8f6c6be313764 [0,1,0,0,0,1|2,0,0]=4 1737 B12R1.477 CC(CO)CNCc1ccc[nH]1 5a3a377fe4c11d8edd766f90238ad682 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.477 CC(CO)CNCc1ccco1 f53b670893dc695721b10876dfad4c89 [0,1,0,0,0,1|1,0,0]=3 1739 B12R1.477 CC(CO)CNCc1cccs1 39456682293630f08269a70f32df9f48 [0,1,0,0,0,1|1,1,0]=4 1740 B12R1.477 CC(CO)CNCc1ccno1 549570bab6716715a20109b6dc189fbf [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.477 CC(CO)CNCc1cnco1 767d83747fec561be1932f9421e0a196 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.477 CC(CO)CNCc1ncco1 57c00d162c316a1dce3233915558762a [0,1,0,0,0,1|2,0,0]=4 1743 B12R1.477 CC(CO)NCCc1ccc[nH]1 b4e04d36281098d14fd99008b22985ff [0,1,0,0,0,1|2,0,0]=4 1744 B12R1.477 CC(CO)NCCc1ccco1 07d1fdea461fdf9882b1959144a3964a [0,1,0,0,0,1|1,0,0]=3 1745 B12R1.477 CC(CO)NCCc1cccs1 d46f0da9affe2034c823b1dfc89ce413 [0,1,0,0,0,1|1,1,0]=4 1746 B12R1.477 CC(CS)OCCc1cccs1 bfa1cb68216ceac197cf2f11c0b2f0cd [0,1,0,0,0,1|0,2,0]=4 1747 B12R1.477 CCC(C)CCNc1cccs1 3fc27275bbca833d8c319f63ff4ea1ab [0,1,0,0,0,1|1,1,0]=4 1748 B12R1.477 CCC(C)CCNc1ccno1 7a8ea0ec15bf89de26a6b9b250f86ca1 [0,1,0,0,0,1|2,0,0]=4 1749 B12R1.477 CCC(C)CCNc1ncco1 5f50e6162442a0e827c7ecee0e35639c [0,1,0,0,0,1|2,0,0]=4 1750 B12R1.477 CCC(C)CCOc1ccco1 c6b91cea160d9e5c81a3d54aee79627b [0,1,0,0,0,1|1,0,0]=3 1751 B12R1.477 CCC(C)CCOc1cccs1 37cac22a4962870cd049ffc0757038ca [0,1,0,0,0,1|1,1,0]=4 1752 B12R1.477 CCC(C)CNCc1ccc[nH]1 529b23b4322097971bf9b7049fa6b56a [0,1,0,0,0,1|2,0,0]=4 1753 B12R1.477 CCC(C)CNCc1ccco1 da00da89af4941a857a137d122824a22 [0,1,0,0,0,1|1,0,0]=3 1754 B12R1.477 CCC(C)CNCc1cccs1 aa06bd2759bc0752a07a2e8ed2802feb [0,1,0,0,0,1|1,1,0]=4 1755 B12R1.477 CCC(C)CNCc1ccno1 0b321e6b8857ca1487539f60af846497 [0,1,0,0,0,1|2,0,0]=4 1756 B12R1.477 CCC(C)CNCc1cnco1 eacf03ae7cfd982c7cd0fe5be6b5e8f8 [0,1,0,0,0,1|2,0,0]=4 1757 B12R1.477 CCC(C)CNCc1ncco1 4cf3fe04a7f5e46763a5a6c7eac38fb8 [0,1,0,0,0,1|2,0,0]=4 1758 B12R1.477 CCC(C)COCc1ccc[nH]1 639b940bd8fe2f68114996a9050f6de1 [0,1,0,0,0,1|1,1,0]=4 1759 B12R1.477 CCC(C)COCc1ccco1 303c2b101f181a81a7ff76774d5bfe70 [0,1,0,0,0,1|0,1,0]=3 1760 B12R1.477 CCC(C)COCc1cccs1 b69cc264d1ac795a933e8b8b8e301a20 [0,1,0,0,0,1|0,2,0]=4 1761 B12R1.477 CCC(C)COCc1ccno1 a8b099d95c5f778f414f2c835456d4bc [0,1,0,0,0,1|1,1,0]=4 1762 B12R1.477 CCC(C)COCc1cnco1 a33aa3c7797f4720e6ee45eadcb8a54c [0,1,0,0,0,1|1,1,0]=4 1763 B12R1.477 CCC(C)COCc1ncco1 1ffddd5859ae12bfd5e111b999277239 [0,1,0,0,0,1|1,1,0]=4 1764 B12R1.477 CCC(C)NCCc1ccc[nH]1 3ce03adf94c574865ac1f911903fe063 [0,1,0,0,0,1|2,0,0]=4 1765 B12R1.477 CCC(C)NCCc1ccco1 d92ca72f114acb530a63fbc6e4b9e7b7 [0,1,0,0,0,1|1,0,0]=3 1766 B12R1.477 CCC(C)NCCc1cccs1 b1e8daa92ad2641d0d3d78fbb2ad2d8f [0,1,0,0,0,1|1,1,0]=4 1767 B12R1.477 CCC(C)OCCc1ccc[nH]1 9cea99e40b2708910749de1a6784ef46 [0,1,0,0,0,1|1,1,0]=4 1768 B12R1.477 CCC(C)OCCc1ccco1 e75be3de9ef3987343b1c3943396237d [0,1,0,0,0,1|0,1,0]=3 1769 B12R1.477 CCC(C)OCCc1cccs1 6a8a2b912c748ca0ed06755274f57c59 [0,1,0,0,0,1|0,2,0]=4 1770 B12R1.477 CCC(O)CNCc1ccco1 4bb492511ef683b6b7449f3d88a2cc32 [0,1,0,0,0,1|2,0,0]=4 1771 B12R1.477 CC[C@@H](C)CNCc1ccc[nH]1 9702f797225ccc1683357aadbe75f003 [0,1,0,0,0,1|2,0,0]=4 1772 B12R1.477 CC[C@@H](C)CNCc1ccco1 9e2585e2658f383111429dd6f01f0131 [0,1,0,0,0,1|1,0,0]=3 1773 B12R1.477 CC[C@@H](C)CNCc1cccs1 0ad196c4ab45879958625cc8342f316a [0,1,0,0,0,1|1,1,0]=4 1774 B12R1.477 CC[C@@H](C)CNCc1ccno1 f779a2fc5bc84bba3c6a6f43ced90a7f [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.477 CC[C@@H](C)CNCc1cnco1 60d243a019a6fce0a695957e7244efe1 [0,1,0,0,0,1|2,0,0]=4 1776 B12R1.477 CC[C@@H](C)CNCc1ncco1 98eb564efb13cf376281e362ab3bf07e [0,1,0,0,0,1|2,0,0]=4 1777 B12R1.477 CC[C@@H](C)COCc1ccc[nH]1 9f4d1575a5f7b8e6230d2a9ac23f7db0 [0,1,0,0,0,1|1,1,0]=4 1778 B12R1.477 CC[C@@H](C)COCc1ccco1 2aee43d426a798ea5a59dcd82dcccceb [0,1,0,0,0,1|0,1,0]=3 1779 B12R1.477 CC[C@@H](C)COCc1cccs1 b41b386af9a856682fe3e935e5d5dc7f [0,1,0,0,0,1|0,2,0]=4 1780 B12R1.477 CC[C@@H](C)COCc1ccno1 07fd2cc3b5ea60b217d3f91bcf1eae50 [0,1,0,0,0,1|1,1,0]=4 1781 B12R1.477 CC[C@@H](C)COCc1cnco1 c98e6cf83b8d03ead029519b0b98fb97 [0,1,0,0,0,1|1,1,0]=4 1782 B12R1.477 CC[C@@H](C)COCc1ncco1 64c0e4e73b98ab5aaaed852b61b9e588 [0,1,0,0,0,1|1,1,0]=4 1783 B12R1.477 CC[C@@H](C)NCCc1cccs1 06d7cbd897c88f589c94a0eacf753343 [0,1,0,0,0,1|1,1,0]=4 1784 B12R1.477 CC[C@@H](C)OCCc1cccs1 87020da919b351367cdfe52b29b06694 [0,1,0,0,0,1|0,2,0]=4 1785 B12R1.477 CC[C@H](C)CNCc1ccc[nH]1 6b14d35bf7760042f30d3a3af018c27f [0,1,0,0,0,1|2,0,0]=4 1786 B12R1.477 CC[C@H](C)CNCc1ccco1 774458db4ddaf8491f3dd2418b196cde [0,1,0,0,0,1|1,0,0]=3 1787 B12R1.477 CC[C@H](C)CNCc1cccs1 14bfafd4e2e3506a0240b76e2f11c143 [0,1,0,0,0,1|1,1,0]=4 1788 B12R1.477 CC[C@H](C)CNCc1ccno1 4d78180f30551c2b41c2b58213db784a [0,1,0,0,0,1|2,0,0]=4 1789 B12R1.477 CC[C@H](C)CNCc1cnco1 6d2156cb1a11ec2016281cc61eb3dcec [0,1,0,0,0,1|2,0,0]=4 1790 B12R1.477 CC[C@H](C)CNCc1ncco1 1b7e43ec6a8365abcb2de30200e42fa9 [0,1,0,0,0,1|2,0,0]=4 1791 B12R1.477 CC[C@H](C)COCc1ccc[nH]1 c0470db37bb0f5b56659ceb3850ac7de [0,1,0,0,0,1|1,1,0]=4 1792 B12R1.477 CC[C@H](C)COCc1ccco1 4c718f5f61fa49c8d72b38b16c9816ff [0,1,0,0,0,1|0,1,0]=3 1793 B12R1.477 CC[C@H](C)COCc1cccs1 d77e84f26697fa892e8c46a678b862b3 [0,1,0,0,0,1|0,2,0]=4 1794 B12R1.477 CC[C@H](C)COCc1ccno1 3ec17973259e8177cacd0a206163a64f [0,1,0,0,0,1|1,1,0]=4 1795 B12R1.477 CC[C@H](C)COCc1cnco1 43b3a5dd208d44fc04641bd7b17752ef [0,1,0,0,0,1|1,1,0]=4 1796 B12R1.477 CC[C@H](C)COCc1ncco1 3f3c9a0327d60587f4d9e55307e16c25 [0,1,0,0,0,1|1,1,0]=4 1797 B12R1.477 CC[C@H](C)NCCc1cccs1 f2b1cb8654fb945ece69967add4bba75 [0,1,0,0,0,1|1,1,0]=4 1798 B12R1.477 CC[C@H](C)OCCc1cccs1 81d45653d7692301cc4f1b8e4750f325 [0,1,0,0,0,1|0,2,0]=4 1799 B12R1.477 CN(CF)CCCc1ccco1 6e9fcd7c0e702ca612c59fa18637b7d9 [0,1,0,0,0,1|2,0,0]=4 1800 B12R1.477 CN(CO)CCCc1ccco1 431839507e0dc6b8206e393c81112549 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.477 COC(C)CNCc1ccc[nH]1 18ae30b4b53cfdcaa0cc2d59196a0e91 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.477 COC(C)CNCc1ccco1 4f5e18d8d5581faa70d591da4dd66eca [0,1,0,0,0,1|1,0,0]=3 1803 B12R1.477 COC(C)CNCc1cccs1 b96b48842650d2b2fa44b7a04b2bf140 [0,1,0,0,0,1|1,1,0]=4 1804 B12R1.477 COC(C)CNCc1ccno1 1ed9626bdee49ff5ba92ecde57726e66 [0,1,0,0,0,1|2,0,0]=4 1805 B12R1.477 COC(C)CNCc1cnco1 1068b228fa6bb36a3745127e6daa00af [0,1,0,0,0,1|2,0,0]=4 1806 B12R1.477 COC(C)CNCc1ncco1 430df750942164324f3d9fd7067b4ea8 [0,1,0,0,0,1|2,0,0]=4 1807 B12R1.477 COC(C)COCc1ccc[nH]1 2928af4b0ebf7a600760f97db2a524b7 [0,1,0,0,0,1|1,1,0]=4 1808 B12R1.477 COC(C)COCc1ccco1 12ba039dfb0a47b0e51cfc3e84956fe3 [0,1,0,0,0,1|0,1,0]=3 1809 B12R1.477 COC(C)COCc1cccs1 afb6370635b54f9b38ea36f54ea04586 [0,1,0,0,0,1|0,2,0]=4 1810 B12R1.477 COC(C)COCc1ccno1 f06017e050a80b44076ae4538b9e5f15 [0,1,0,0,0,1|1,1,0]=4 1811 B12R1.477 COC(C)COCc1cnco1 9e4a4685fee4d1286849c237c07a579f [0,1,0,0,0,1|1,1,0]=4 1812 B12R1.477 COC(C)COCc1ncco1 54716a6d7f06713b323440299bdcf635 [0,1,0,0,0,1|1,1,0]=4 1813 B12R1.477 CO[C@@H](C)CNCc1ccc[nH]1 aae0aecac44c4368d5c58bb31f7b1c22 [0,1,0,0,0,1|2,0,0]=4 1814 B12R1.477 CO[C@@H](C)CNCc1ccco1 fef213d60dec5894f427af612a9da5dc [0,1,0,0,0,1|1,0,0]=3 1815 B12R1.477 CO[C@@H](C)CNCc1cccs1 3347f011e2da023882c268fe7aafbc25 [0,1,0,0,0,1|1,1,0]=4 1816 B12R1.477 CO[C@@H](C)CNCc1ccno1 2c5e7c13b44b6973700c581d381c4b84 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.477 CO[C@@H](C)CNCc1cnco1 46c69a44dc8b424886a07fd238744298 [0,1,0,0,0,1|2,0,0]=4 1818 B12R1.477 CO[C@@H](C)CNCc1ncco1 c08a1e013d73f080c37cc101e6c8753f [0,1,0,0,0,1|2,0,0]=4 1819 B12R1.477 CO[C@@H](C)COCc1ccc[nH]1 cef8613f60cdbab5e87a3302ac5a3a51 [0,1,0,0,0,1|1,1,0]=4 1820 B12R1.477 CO[C@@H](C)COCc1ccco1 57ebb84002f865d1e33272e352f206fc [0,1,0,0,0,1|0,1,0]=3 1821 B12R1.477 CO[C@@H](C)COCc1cccs1 e6455705da1a55ef7f651d74b0d8a12a [0,1,0,0,0,1|0,2,0]=4 1822 B12R1.477 CO[C@@H](C)COCc1ccno1 1fc3fa90e6d037b918096d7cae82ec0b [0,1,0,0,0,1|1,1,0]=4 1823 B12R1.477 CO[C@@H](C)COCc1cnco1 fb05e931d85e5770ad6b69ea3d1d1b1d [0,1,0,0,0,1|1,1,0]=4 1824 B12R1.477 CO[C@@H](C)COCc1ncco1 0b805d6271c986463c90270a2206fdfb [0,1,0,0,0,1|1,1,0]=4 1825 B12R1.477 CO[C@H](C)CNCc1ccc[nH]1 22cb6dc359be3275f0b57a8858ee237e [0,1,0,0,0,1|2,0,0]=4 1826 B12R1.477 CO[C@H](C)CNCc1ccco1 bf11b8a2f4c813544f7c4c3574276bc2 [0,1,0,0,0,1|1,0,0]=3 1827 B12R1.477 CO[C@H](C)CNCc1cccs1 879154c2d2509a6ba4de7ab6a804aab6 [0,1,0,0,0,1|1,1,0]=4 1828 B12R1.477 CO[C@H](C)CNCc1ccno1 104ed08dadc5fae896bb67a0e80b34fe [0,1,0,0,0,1|2,0,0]=4 1829 B12R1.477 CO[C@H](C)CNCc1cnco1 bdf0091d6de0572addcee4ee8160b81d [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.477 CO[C@H](C)CNCc1ncco1 a86aae719df7568b8cb1b0f4b65d6ace [0,1,0,0,0,1|2,0,0]=4 1831 B12R1.477 CO[C@H](C)COCc1ccc[nH]1 d06ce399e0ddd23a66736f151fb4fa1a [0,1,0,0,0,1|1,1,0]=4 1832 B12R1.477 CO[C@H](C)COCc1ccco1 6a824a2804be0a7ad7d3d9ee81f1055c [0,1,0,0,0,1|0,1,0]=3 1833 B12R1.477 CO[C@H](C)COCc1cccs1 8613efacc2f58e47666b603bea0ece93 [0,1,0,0,0,1|0,2,0]=4 1834 B12R1.477 CO[C@H](C)COCc1ccno1 083ee0294c08792905370925cfa158b0 [0,1,0,0,0,1|1,1,0]=4 1835 B12R1.477 CO[C@H](C)COCc1cnco1 8a893e945cd5ac2ef4c2e4f63c216168 [0,1,0,0,0,1|1,1,0]=4 1836 B12R1.477 CO[C@H](C)COCc1ncco1 0b4148bad5805eed43ad5f01421a0adf [0,1,0,0,0,1|1,1,0]=4 1837 B12R1.477 C[C@@H](CO)CCNc1ccco1 2169600a3140dd1d2da00895c3f087ec [0,1,0,0,0,1|1,0,0]=3 1838 B12R1.477 C[C@@H](CO)CCNc1cccs1 30fa4c68c8351a9948d68c823474780d [0,1,0,0,0,1|1,1,0]=4 1839 B12R1.477 C[C@@H](CO)CCNc1ncco1 432420f464cb6efceaac00d65179b62b [0,1,0,0,0,1|2,0,0]=4 1840 B12R1.477 C[C@@H](CO)CNCc1ccc[nH]1 e1ecf67a4ca0aebcd903ba0d25c00c57 [0,1,0,0,0,1|2,0,0]=4 1841 B12R1.477 C[C@@H](CO)CNCc1ccco1 9b6405247ee9ed3e31bc3e5ed9519c94 [0,1,0,0,0,1|1,0,0]=3 1842 B12R1.477 C[C@@H](CO)CNCc1cccs1 67c5ae20aed95cf3dc92d44bf198e3ad [0,1,0,0,0,1|1,1,0]=4 1843 B12R1.477 C[C@@H](CO)CNCc1ccno1 e176ed7d8b26536213d35f800a046408 [0,1,0,0,0,1|2,0,0]=4 1844 B12R1.477 C[C@@H](CO)CNCc1cnco1 40bf174ac184ad6008f18ee7d490b942 [0,1,0,0,0,1|2,0,0]=4 1845 B12R1.477 C[C@@H](CO)CNCc1ncco1 684a76a54e6e121c1668577204aadca8 [0,1,0,0,0,1|2,0,0]=4 1846 B12R1.477 C[C@@H](CO)NCCc1ccc[nH]1 9af9b890f74bc0a087257fcfbbcce3cd [0,1,0,0,0,1|2,0,0]=4 1847 B12R1.477 C[C@@H](CO)NCCc1ccco1 010aeee146b50cdd3d0018c42561a2dd [0,1,0,0,0,1|1,0,0]=3 1848 B12R1.477 C[C@@H](CO)NCCc1cccs1 5ac4498a8db26ab4ba33ab60b25ca43a [0,1,0,0,0,1|1,1,0]=4 1849 B12R1.477 C[C@H](C=O)NCCc1ccco1 9a950faafafd4ac5cfe77991e35bd62b [0,1,0,0,0,1|1,0,1]=4 1850 B12R1.477 C[C@H](C=O)OCCc1ccco1 bf9fd42601f306211d69a6535e282ba0 [0,1,0,0,0,1|0,1,1]=4 1851 B12R1.477 C[C@H](CO)CNCc1ccc[nH]1 19c984f725ee7257f26592580694c6a9 [0,1,0,0,0,1|2,0,0]=4 1852 B12R1.477 C[C@H](CO)CNCc1ccco1 6a859c2d5d942815da71b0c40fe1670f [0,1,0,0,0,1|1,0,0]=3 1853 B12R1.477 C[C@H](CO)CNCc1cccs1 4c1f4160caaed1e2ef1dc6f02dcb93d0 [0,1,0,0,0,1|1,1,0]=4 1854 B12R1.477 C[C@H](CO)CNCc1ccno1 3c49ac70221e1f684e664ce199fa053c [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.477 C[C@H](CO)CNCc1cnco1 a58d4b3b18311f37be9361da9c6b15e4 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.477 C[C@H](CO)CNCc1ncco1 48a231b7322cf55f20e96651f57c8536 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.477 C[C@H](CO)NCCc1ccc[nH]1 423ee5d171ec76e542aa9786620eab76 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.477 C[C@H](CO)NCCc1ccco1 0e3d2d66094103c2bbf8bc88f0ad2f96 [0,1,0,0,0,1|1,0,0]=3 1859 B12R1.477 C[C@H](CO)NCCc1cccs1 5b9eeae32f3379344f7cf7b324347897 [0,1,0,0,0,1|1,1,0]=4 1860 B12R1.477 C[C@H](CS)OCCc1cccs1 bc5cabe7f3d9fd275d8c49c719fd9e77 [0,1,0,0,0,1|0,2,0]=4 1861 B12R1.477 ClCC(Cl)COCc1ccco1 4cb00c189332948c3f471aeeac59528c [0,1,0,0,0,1|1,1,0]=4 1862 B12R1.477 OC(CF)CNCc1ccco1 54898ce0ff212e792eb800e0ac20b4ca [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.477 OCC(F)CNCc1ccco1 4cd75ce72bd0f3393a0fbc384fb493b1 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.477 OCC(O)CCNc1ccco1 b8d367dff5d4384382df44afed020e96 [0,1,0,0,0,1|2,0,0]=4 1865 B12R1.477 OCC(O)CNCc1ccco1 0d6c95f53c6d5b8e27532a78c12b04fd [0,1,0,0,0,1|2,0,0]=4 1866 B12R1.477 OCC(O)COCc1ccco1 1f8a0a440267fabdc63fba6eae15bcf4 [0,1,0,0,0,1|1,1,0]=4 1867 B12R1.477 OC[C@@H](F)CNCc1ccco1 9aebfe022d9d0f59b86c955d50ecb224 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.477 OC[C@@H](O)CNCc1ccco1 c795d9bcb6192b2f8ca106170be3aa79 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.477 OC[C@@H](O)COCc1ccco1 bf0a7dff329874ed6eb823666db28855 [0,1,0,0,0,1|1,1,0]=4 1870 B12R1.477 OC[C@H](F)CNCc1ccco1 40e59f7a67b23580d71df16b0bc4a2c9 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.477 OC[C@H](O)CNCc1ccco1 ff4b83fcacb4c9730c0b154cbf8d7cb2 [0,1,0,0,0,1|2,0,0]=4 1872 B12R1.477 OC[C@H](O)COCc1ccco1 4bc40b92917b1092c4c25a31f588db49 [0,1,0,0,0,1|1,1,0]=4 1873 B12R1.477 SCC(S)COCc1ccco1 dfc6a6f29be0269b361c176a03b3dc93 [0,1,0,0,0,1|1,1,0]=4 1874 B12R1.890 CC(C)(Br)COCc1ccco1 bdf0d68e4868d5520010802e60c0f7be [0,1,0,0,0,1|0,1,0]=3 1875 B12R1.890 CC(C)(Br)COCc1cccs1 72c273506aecef003e6486833521db75 [0,1,0,0,0,1|0,2,0]=4 1876 B12R1.890 CC(C)(Br)COCc1ccno1 8a7ca7ca2d8af216253454bbd02abb36 [0,1,0,0,0,1|1,1,0]=4 1877 B12R1.890 CC(C)(Br)COCc1ncco1 2f3733cb562f3314a805f0e609a42f5b [0,1,0,0,0,1|1,1,0]=4 1878 B12R1.890 CC(C)(C)CCNc1ccco1 2aa38178f173c80c1745643cc98fe0a8 [0,1,0,0,0,1|1,0,0]=3 1879 B12R1.890 CC(C)(C)CCNc1cccs1 8b10ce0d1710b43b3b3dbc44e5f63390 [0,1,0,0,0,1|1,1,0]=4 1880 B12R1.890 CC(C)(C)CCNc1ccno1 c44d9c34794747c9262183de526d1711 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.890 CC(C)(C)CCNc1ncco1 f081f39b56772745cdf4c9c7e95ea9e6 [0,1,0,0,0,1|2,0,0]=4 1882 B12R1.890 CC(C)(C)CCOc1ccco1 0961706b9871fecf228e89881ecd41a9 [0,1,0,0,0,1|1,0,0]=3 1883 B12R1.890 CC(C)(C)CCOc1cccs1 7fe361b4bf13eaba4ffd55d0e7d7e620 [0,1,0,0,0,1|1,1,0]=4 1884 B12R1.890 CC(C)(C)CNCc1ccc[nH]1 37becbb5eda0222c8aa1a30768919066 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.890 CC(C)(C)CNCc1ccco1 9c07c733eebabda05f36c53dc20c5bac [0,1,0,0,0,1|1,0,0]=3 1886 B12R1.890 CC(C)(C)CNCc1cccs1 7447480841b77c52a3cb3cd705540c39 [0,1,0,0,0,1|1,1,0]=4 1887 B12R1.890 CC(C)(C)CNCc1ccno1 c13527e894563d9a5017b2ef1e48e071 [0,1,0,0,0,1|2,0,0]=4 1888 B12R1.890 CC(C)(C)CNCc1cnco1 1def5f311f3335e200700f49c853be72 [0,1,0,0,0,1|2,0,0]=4 1889 B12R1.890 CC(C)(C)CNCc1ncco1 e9c8a15684a8be725d59149c7dfc1cca [0,1,0,0,0,1|2,0,0]=4 1890 B12R1.890 CC(C)(C)COCc1ccc[nH]1 ea9944b221d5907d4e4ace8c3483c5f8 [0,1,0,0,0,1|1,1,0]=4 1891 B12R1.890 CC(C)(C)COCc1ccco1 be5a099afe0694b9ba102988dcbca8db [0,1,0,0,0,1|0,1,0]=3 1892 B12R1.890 CC(C)(C)COCc1cccs1 8a8a6834fdbcc5281ec479e9b2052de1 [0,1,0,0,0,1|0,2,0]=4 1893 B12R1.890 CC(C)(C)COCc1ccno1 ab9669f943135220ee4694140c57e0bf [0,1,0,0,0,1|1,1,0]=4 1894 B12R1.890 CC(C)(C)COCc1ncco1 d8c67133a2351aa9d4da903f4e839404 [0,1,0,0,0,1|1,1,0]=4 1895 B12R1.890 CC(C)(C)NCCc1cccs1 6bae572a455fa07a436cde159508ae43 [0,1,0,0,0,1|1,1,0]=4 1896 B12R1.890 CC(C)(F)CCNc1ccco1 4f81ebf9ef13e211a28ea431812cd718 [0,1,0,0,0,1|1,0,0]=3 1897 B12R1.890 CC(C)(F)CCNc1cccs1 c112d5484cdea59a11accaf2a7f59084 [0,1,0,0,0,1|1,1,0]=4 1898 B12R1.890 CC(C)(F)CCNc1ncco1 49ee0220f321560490ab2ce43297dd58 [0,1,0,0,0,1|2,0,0]=4 1899 B12R1.890 CC(C)(F)CNCc1ccc[nH]1 d79164c39362596bc62ec3997472e2a3 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.890 CC(C)(F)CNCc1ccco1 9573f3172c655b7d779a804bf30fb681 [0,1,0,0,0,1|1,0,0]=3 1901 B12R1.890 CC(C)(F)CNCc1cccs1 1f9df98d2cc51d6d21f16f6d437b2034 [0,1,0,0,0,1|1,1,0]=4 1902 B12R1.890 CC(C)(F)CNCc1ccno1 5cf99b9df6e1f4e9063429cbdf83d823 [0,1,0,0,0,1|2,0,0]=4 1903 B12R1.890 CC(C)(F)CNCc1cnco1 f4a80ffb08084edd49e6ce7903c27868 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.890 CC(C)(F)CNCc1ncco1 8c211c4f10af5302e8a059629a281287 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.890 CC(C)(F)COCc1ccc[nH]1 9a21abf10f4541ba89efbd8653f1531d [0,1,0,0,0,1|1,1,0]=4 1906 B12R1.890 CC(C)(F)COCc1ccco1 c03f884b51a2c34e2eedb0bd04c82ce4 [0,1,0,0,0,1|0,1,0]=3 1907 B12R1.890 CC(C)(F)COCc1cccs1 093a61c3d12a68ceb761b834bd222246 [0,1,0,0,0,1|0,2,0]=4 1908 B12R1.890 CC(C)(F)COCc1ccno1 526c5661537eea7c0294755fdd7ece82 [0,1,0,0,0,1|1,1,0]=4 1909 B12R1.890 CC(C)(F)COCc1cnco1 fa40aeef85309a75010bb04d90faa5f3 [0,1,0,0,0,1|1,1,0]=4 1910 B12R1.890 CC(C)(F)COCc1ncco1 a7e1b6461ac011a887a2299f401118e9 [0,1,0,0,0,1|1,1,0]=4 1911 B12R1.890 CC(C)(O)CCNc1ccco1 12cd5e4693e7bc82cc60a1bc8adb491a [0,1,0,0,0,1|1,0,0]=3 1912 B12R1.890 CC(C)(O)CCNc1cccs1 0d98303edc1b636295c7d6126bf38420 [0,1,0,0,0,1|1,1,0]=4 1913 B12R1.890 CC(C)(O)CCNc1ccno1 2f70fa34732d367b2e200bcadf7751a5 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.890 CC(C)(O)CCNc1ncco1 6689cd28b8a25f3b846be9f61f588ed6 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.890 CC(C)(O)CCOc1ccco1 c1a41ad163e6828ab45758153acad597 [0,1,0,0,0,1|1,0,0]=3 1916 B12R1.890 CC(C)(O)CCOc1cccs1 f97314fcddedd545affd89c426a9c372 [0,1,0,0,0,1|1,1,0]=4 1917 B12R1.890 CC(C)(O)CNCc1ccc[nH]1 82bae6ba9f2da21c9d0f52b845d901d9 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.890 CC(C)(O)CNCc1ccco1 ecde5d9ee56cd99be725b2ae49cce253 [0,1,0,0,0,1|1,0,0]=3 1919 B12R1.890 CC(C)(O)CNCc1cccs1 67414e766a476547fb0b42019260eb85 [0,1,0,0,0,1|1,1,0]=4 1920 B12R1.890 CC(C)(O)CNCc1ccno1 d65efc56251c576cbc8157f6d6feeaa6 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.890 CC(C)(O)CNCc1cnco1 42caeb280984cbcf63d8e3eb1ca4c251 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.890 CC(C)(O)CNCc1ncco1 be22baab216b8cf0f680976b3bd60177 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.890 CC(C)(O)COCc1ccc[nH]1 c9d619be799d17097d6e2fa4dc220b19 [0,1,0,0,0,1|1,1,0]=4 1924 B12R1.890 CC(C)(O)COCc1ccco1 00c9339c691d6e8f8d01425627bcb49a [0,1,0,0,0,1|0,1,0]=3 1925 B12R1.890 CC(C)(O)COCc1cccs1 a778f416a085a1af5b2571271fa6d2f7 [0,1,0,0,0,1|0,2,0]=4 1926 B12R1.890 CC(C)(O)COCc1ccno1 1ab49314a222f0898d74ea2ff0847b2b [0,1,0,0,0,1|1,1,0]=4 1927 B12R1.890 CC(C)(O)COCc1cnco1 1705bfe303e0b8638ed8b24d9830a9e9 [0,1,0,0,0,1|1,1,0]=4 1928 B12R1.890 CC(C)(O)COCc1ncco1 af11104ec88b3987b9de5d1419e3ded2 [0,1,0,0,0,1|1,1,0]=4 1929 B12R1.890 CC(C)(S)COCc1ccco1 850773e49732ea991555fdf30641425e [0,1,0,0,0,1|0,1,0]=3 1930 B12R1.890 CC(C)(S)COCc1cccs1 3224efd01c96c98857f1abd0b992d9d3 [0,1,0,0,0,1|0,2,0]=4 1931 B12R1.890 CC(C)(S)COCc1ccno1 1e12c67ef3fcf54a2846cc64189fd4e0 [0,1,0,0,0,1|1,1,0]=4 1932 B12R1.890 CC(C)(S)COCc1ncco1 8e6752a7a68ee88908e380d70770bec8 [0,1,0,0,0,1|1,1,0]=4 1933 B12R1.890 CC(F)(F)CCOc1ccco1 28ac8b1229a8933f9a61f6be76d28dbb [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.890 CC(F)(F)CNCc1ccco1 c0ecd63bdda99c69d7084c603ae753d8 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.890 CC(F)(F)COCc1ccco1 e416f2671128bfbaa7606d666b546756 [0,1,0,0,0,1|1,1,0]=4 1936 B12R1.15 C=CC(C)NC(C)c1ccco1 b0c40518eacbca8c26adf959a36086ce [0,2,0,0,0,0|1,0,1]=4 1937 B12R1.15 C=CC(C)N[C@H](C)c1ccco1 a4e8e05b4e8133009a4332e3c7aef17d [0,2,0,0,0,0|1,0,1]=4 1938 B12R1.15 C=CC(C)OC(C)c1ccco1 234a7daf5bdb514d2dae4adba90fe2dd [0,2,0,0,0,0|0,1,1]=4 1939 B12R1.15 C=CC(C)O[C@H](C)c1ccco1 fa061f8ee9cfdef7fc36f27d3a713a81 [0,2,0,0,0,0|0,1,1]=4 1940 B12R1.15 CC(C=O)NC(C)c1ccco1 212375a979905f1f74364686ef243419 [0,2,0,0,0,0|1,0,1]=4 1941 B12R1.15 CC(C=O)N[C@H](C)c1ccco1 3e0d721793a5bb96a85a870947b03416 [0,2,0,0,0,0|1,0,1]=4 1942 B12R1.15 CC(C=O)OC(C)c1ccco1 0dfc9f8e114baec3794d27f5760a32e4 [0,2,0,0,0,0|0,1,1]=4 1943 B12R1.15 CC(C=O)O[C@H](C)c1ccco1 59c73190e977492e534a6376fd8485a0 [0,2,0,0,0,0|0,1,1]=4 1944 B12R1.15 CC(CO)NC(=O)c1ccco1 4a09a19799d9a4d27122c3d98b299696 [0,2,0,0,0,0|1,0,1]=4 1945 B12R1.15 CC(N[C@H](C)C=O)c1ccco1 d8fec9e4b94c6342120bc4f717765ad6 [0,2,0,0,0,0|1,0,1]=4 1946 B12R1.15 CC(O[C@H](C)C=O)c1ccco1 25dacb7761a149c38471eb2787fa8a9b [0,2,0,0,0,0|0,1,1]=4 1947 B12R1.15 CCC(C)NC(=O)c1ccco1 9665ddfcb4b3c896f44fb86f6afbd5cf [0,2,0,0,0,0|1,0,1]=4 1948 B12R1.15 CCC(C)NC(C)c1ncco1 5e5b371c9fb55dfd32b077da55f67cdc [0,2,0,0,0,0|2,0,0]=4 1949 B12R1.15 CCC(C)OC(C)c1ccco1 bc46d8fa8e7bd9309d8bcffd4ba74cc2 [0,2,0,0,0,0|0,1,0]=3 1950 B12R1.15 CCC(C)OC(C)c1cccs1 e3cf41290dcf1a2dae95f5330c126829 [0,2,0,0,0,0|0,2,0]=4 1951 B12R1.15 CCC(C)OC(C)c1ncco1 116c2414855c5f69e67501fd7a19f5c1 [0,2,0,0,0,0|1,1,0]=4 1952 B12R1.15 CCC(C)O[C@@H](C)c1cccs1 1ced5e8c44169becf913fa86390e1950 [0,2,0,0,0,0|0,2,0]=4 1953 B12R1.15 CCC(C)O[C@H](C)c1ccco1 46d85a570e95008000e90cd65e40bc2e [0,2,0,0,0,0|0,1,0]=3 1954 B12R1.15 CCC(C)O[C@H](C)c1cccs1 df5f6e728cbffe807acb3c89fd2ca255 [0,2,0,0,0,0|0,2,0]=4 1955 B12R1.15 CC[C@@H](C)NC(=O)c1ccco1 7cce0a31f715a783bbfc17be073e3d9e [0,2,0,0,0,0|1,0,1]=4 1956 B12R1.15 CC[C@H](C)NC(=O)c1ccco1 d9059dc6c8f32d289f868af6109bc5c9 [0,2,0,0,0,0|1,0,1]=4 1957 B12R1.15 C[C@@H](CO)NC(=O)c1ccco1 e6b66bec19c7310b3d33eb9d8584c367 [0,2,0,0,0,0|1,0,1]=4 1958 B12R1.15 C[C@H](C=O)N[C@H](C)c1ccco1 c464d6c6e5e95539f24f3cfebeaa3712 [0,2,0,0,0,0|1,0,1]=4 1959 B12R1.15 C[C@H](C=O)O[C@H](C)c1ccco1 249b7f6d80a59bff48fb387e882bfe71 [0,2,0,0,0,0|0,1,1]=4 1960 B12R1.15 C[C@H](CO)NC(=O)c1ccco1 4017f7669408328ed0b90687e2d43bf7 [0,2,0,0,0,0|1,0,1]=4 1961 B12R1.26 C#CC(C)NCc1ccc(o1)Br 270197670498aca09c4886313fd86c13 [0,2,0,0,0,0|1,0,1]=4 1962 B12R1.26 C#CC(C)NCc1ccc(o1)C a3f574039a8246c6a6b5ca040fd0beff [0,2,0,0,0,0|1,0,1]=4 1963 B12R1.26 C#CC(C)OCc1ccc(o1)C efcda783904e51303b18ff67cbe5f39f [0,2,0,0,0,0|0,1,1]=4 1964 B12R1.26 C=CC(C)NCc1cc(co1)C 6bb4e6d566ffdd49b88a230d69034fa4 [0,2,0,0,0,0|1,0,1]=4 1965 B12R1.26 C=CC(C)NCc1ccc(o1)Br 01960dec5344e8343b8543df74838269 [0,2,0,0,0,0|1,0,1]=4 1966 B12R1.26 C=CC(C)NCc1ccc(o1)C 0c6a7625bab5af6ba3d53f627e1c1872 [0,2,0,0,0,0|1,0,1]=4 1967 B12R1.26 C=CC(C)OCc1cc(co1)Br 06bcb3c3b9511a9304c78f171a7893a5 [0,2,0,0,0,0|0,1,1]=4 1968 B12R1.26 C=CC(C)OCc1ccc(o1)Br c83d938152ab63aa83912eede1a5a83b [0,2,0,0,0,0|0,1,1]=4 1969 B12R1.26 C=CC(C)OCc1ccc(o1)C 75e5cfcff998625023d8a7296cb55cd1 [0,2,0,0,0,0|0,1,1]=4 1970 B12R1.26 CC(C#N)NCc1ccc(o1)Br 6e4b334b69c877546ebf3e58e45dbe85 [0,2,0,0,0,0|1,0,1]=4 1971 B12R1.26 CC(C=O)NCc1ccc(o1)Br 34305039d554752c772dca8101ecda45 [0,2,0,0,0,0|1,0,1]=4 1972 B12R1.26 CC(C=O)OCc1cc(co1)Br 11ea0c9005066635ea442f3687288bad [0,2,0,0,0,0|0,1,1]=4 1973 B12R1.26 CC(C=O)OCc1ccc(o1)Br 3a0a6bba918fcb3e6370a10e61d04d87 [0,2,0,0,0,0|0,1,1]=4 1974 B12R1.26 CC(CF)OCc1cc(cs1)Br 2f2413c5be00bda6742397d98fb33220 [0,2,0,0,0,0|0,2,0]=4 1975 B12R1.26 CC(CF)OCc1cc(no1)Br a45d634ad6aca8d70a1132c53a4b8414 [0,2,0,0,0,0|1,1,0]=4 1976 B12R1.26 CC(CF)OCc1ccc(s1)Br 912011028585433e75f5c3aece987875 [0,2,0,0,0,0|0,2,0]=4 1977 B12R1.26 CC(CF)OCc1ccc(s1)Cl 289bf0994ecd913ce57d1bb30a39801d [0,2,0,0,0,0|0,2,0]=4 1978 B12R1.26 CC(CF)OCc1coc(=O)o1 bd182c0fa38ba5ae0e345c76f8adc7b5 [0,2,0,0,0,0|1,1,0]=4 1979 B12R1.26 CC(CO)NCc1cc(=O)[nH]o1 312cb64b9d36de5827ec9cc5a55c8133 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.26 CC(CO)NCc1cc(c[nH]1)Br d13b0183c36a810a6bc98b8cf59c76bb [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.26 CC(CO)NCc1cc(cs1)Br 194c2d1bb6dc907b0f7d5fa7b3e0aefe [0,2,0,0,0,0|1,1,0]=4 1982 B12R1.26 CC(CO)NCc1cc(no1)Br 1c8a0f4b0773851da6a8a531d5ff5017 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.26 CC(CO)NCc1ccc(o1)Br 2d2a9c8432cafd1b1d443949147f765d [0,2,0,0,0,0|1,0,0]=3 1984 B12R1.26 CC(CO)NCc1ccc(s1)Br e74b4d128dc35e16fce179116a5ee599 [0,2,0,0,0,0|1,1,0]=4 1985 B12R1.26 CC(CO)NCc1ccc(s1)Cl 8c6a72c72615818c3d7b1ba4e5e6175b [0,2,0,0,0,0|1,1,0]=4 1986 B12R1.26 CC(CO)NCc1ccc(s1)F a81762671866dfb53157921ce869a526 [0,2,0,0,0,0|1,1,0]=4 1987 B12R1.26 CC(CO)NCc1coc(=O)o1 2e144809a490ff69f69d02d3de67aab6 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.26 CC(CO)NCc1ncc(o1)Br 2743cb9116d0cf0054b42e72c8716219 [0,2,0,0,0,0|2,0,0]=4 1989 B12R1.26 CC(CS)OCc1cc(cs1)Br 71845d812556443d2fce298367cb1222 [0,2,0,0,0,0|0,2,0]=4 1990 B12R1.26 CC(CS)OCc1cc(no1)Br f177aa6cda403b112c6db85ed31716ec [0,2,0,0,0,0|1,1,0]=4 1991 B12R1.26 CC(CS)OCc1ccc(s1)Br 456aa28e8bc85aed95b50d512fb42fbc [0,2,0,0,0,0|0,2,0]=4 1992 B12R1.26 CC(CS)OCc1ccc(s1)Cl 682ac811a9a2d675b58e8f10c40fdddb [0,2,0,0,0,0|0,2,0]=4 1993 B12R1.26 CC(CS)OCc1coc(=O)o1 d5d1439211aff3ce80f081710a97bab1 [0,2,0,0,0,0|1,1,0]=4 1994 B12R1.26 CC(CS)OCc1ncc(o1)Br 864d4b55e8ef4049ad0d37b3db76ac2e [0,2,0,0,0,0|1,1,0]=4 1995 B12R1.26 CCC(C)CNc1ccc(o1)C 4049f5c298c43fa4efe8cad331fcc1c9 [0,2,0,0,0,0|2,0,0]=4 1996 B12R1.26 CCC(C)NCc1cc(=O)[nH]o1 8bcadcd2207b009016f46ca15d688f58 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.26 CCC(C)NCc1cc(c[nH]1)Br e04c90a3e4ce0b9524ad4cf4f712151a [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.26 CCC(C)NCc1cc(co1)C f86d49a2f83355d808e939af0b14602c [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.26 CCC(C)NCc1cc(cs1)Br ceab5027d8dcc599a6c20933d51e427e [0,2,0,0,0,0|1,1,0]=4 2000 B12R1.26 CCC(C)NCc1cc(no1)Br 745a27b9f1a286546587ac181111e850 [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.26 CCC(C)NCc1cc(no1)C ea01c90a36dc0bd7e34432e38271c78b [0,2,0,0,0,0|2,0,0]=4 2002 B12R1.26 CCC(C)NCc1ccc(o1)Br 6064f3b1d6f2a6a217e16c35b7d8eba7 [0,2,0,0,0,0|1,0,0]=3 2003 B12R1.26 CCC(C)NCc1ccc(o1)C 9fafcdbfbf7524ba1e011fc3df6e73ec [0,2,0,0,0,0|1,0,0]=3 2004 B12R1.26 CCC(C)NCc1ccc(s1)Br 8f62feec08dc1c8f29872f71ffff881b [0,2,0,0,0,0|1,1,0]=4 2005 B12R1.26 CCC(C)NCc1ccc(s1)C 21f34d9241a297787e4a5ce9ab40d968 [0,2,0,0,0,0|1,1,0]=4 2006 B12R1.26 CCC(C)NCc1ccc(s1)Cl 81ace7164533d69dfab3a1f3d831cd44 [0,2,0,0,0,0|1,1,0]=4 2007 B12R1.26 CCC(C)NCc1ccc(s1)F c1cba8c20bc24e382cddaa272483284b [0,2,0,0,0,0|1,1,0]=4 2008 B12R1.26 CCC(C)NCc1coc(=O)o1 be330b91558c032b334fe1f47c613f47 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.26 CCC(C)NCc1nc(co1)C ecf14d45616c8f6690d2c6b2bc2b52fb [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.26 CCC(C)NCc1ncc(o1)Br 533da2e16986f6f8b81d9bb764eced0d [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.26 CCC(C)OCC1C=CC(=O)O1 cff86b5d3263f245d7494dbb9caedf24 [0,2,0,0,0,0|0,1,1]=4 2012 B12R1.26 CCC(C)OC[C@@H]1C=CC(=O)O1 69bcbf75cf8c14a7f1c50aa37727e51e [0,2,0,0,0,0|0,1,1]=4 2013 B12R1.26 CCC(C)OCc1cc(co1)Br 6cc89520b3a430930e007c2dc2427f3a [0,2,0,0,0,0|0,1,0]=3 2014 B12R1.26 CCC(C)OCc1cc(cs1)Br ca6a9cd07349d44f2899a42bc3bf5317 [0,2,0,0,0,0|0,2,0]=4 2015 B12R1.26 CCC(C)OCc1cc(cs1)C e411dec4abe5fd1f64ba230018b8e3d1 [0,2,0,0,0,0|0,2,0]=4 2016 B12R1.26 CCC(C)OCc1cc(no1)Br 4943eb17f6d511bb6564840c6e4163de [0,2,0,0,0,0|1,1,0]=4 2017 B12R1.26 CCC(C)OCc1cc(no1)C d287bc8a43eeb4cb1bd8235db81f6e95 [0,2,0,0,0,0|1,1,0]=4 2018 B12R1.26 CCC(C)OCc1ccc(o1)Br 9879f5d8ff6bb777cc850846ac395ed5 [0,2,0,0,0,0|0,1,0]=3 2019 B12R1.26 CCC(C)OCc1ccc(o1)C 8eaab44117391c9a164b56950ffdbfa0 [0,2,0,0,0,0|0,1,0]=3 2020 B12R1.26 CCC(C)OCc1ccc(s1)Br c1bd456a64d052ba111ffb333dabf9c7 [0,2,0,0,0,0|0,2,0]=4 2021 B12R1.26 CCC(C)OCc1ccc(s1)C b7e8ec08bab4962df96eba0f48ddbbbf [0,2,0,0,0,0|0,2,0]=4 2022 B12R1.26 CCC(C)OCc1ccc(s1)Cl 547cb969b800731e8c64f4f5dfe4124f [0,2,0,0,0,0|0,2,0]=4 2023 B12R1.26 CCC(C)OCc1cnc(o1)C 06e30cb31ad671ff654809771206802f [0,2,0,0,0,0|1,1,0]=4 2024 B12R1.26 CCC(C)OCc1coc(=O)o1 6641513779cd474b87a009cf3e06af21 [0,2,0,0,0,0|1,1,0]=4 2025 B12R1.26 CCC(C)OCc1nc(co1)Br a608c0b2ae07ef62413e442dfabafe7e [0,2,0,0,0,0|1,1,0]=4 2026 B12R1.26 CCC(C)OCc1ncc(o1)Br f64c5973e04e15ede8e9591515435e38 [0,2,0,0,0,0|1,1,0]=4 2027 B12R1.26 CC[C@@H](C)NCc1cc(cs1)Br e16b114f5597611f574716cc3dd6d47e [0,2,0,0,0,0|1,1,0]=4 2028 B12R1.26 CC[C@@H](C)NCc1cc(no1)Br d38957e04f2eb55ac677c92839da8bf7 [0,2,0,0,0,0|2,0,0]=4 2029 B12R1.26 CC[C@@H](C)NCc1cc(no1)C 2c6437003505144a827188199c4b107c [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.26 CC[C@@H](C)NCc1ccc(s1)Br 2cca288f4c2bf4eed5aa88491e6be209 [0,2,0,0,0,0|1,1,0]=4 2031 B12R1.26 CC[C@@H](C)NCc1ccc(s1)Cl 9e90b6a5100dc925c2f4286c7ce4ef85 [0,2,0,0,0,0|1,1,0]=4 2032 B12R1.26 CC[C@@H](C)NCc1coc(=O)o1 068880443a206bc02486269a25babc21 [0,2,0,0,0,0|2,0,0]=4 2033 B12R1.26 CC[C@@H](C)OCc1cc(cs1)Br 2527c9269a9e4e7d3beb09d328763503 [0,2,0,0,0,0|0,2,0]=4 2034 B12R1.26 CC[C@@H](C)OCc1cc(no1)Br 0b6004b2795da7147b0c19aa7ec2384d [0,2,0,0,0,0|1,1,0]=4 2035 B12R1.26 CC[C@@H](C)OCc1cc(no1)C 94e9de2c2c1ca736818c1eb4104b9136 [0,2,0,0,0,0|1,1,0]=4 2036 B12R1.26 CC[C@@H](C)OCc1ccc(s1)Br 55d44679880ad84ebaf2842f2022f5fa [0,2,0,0,0,0|0,2,0]=4 2037 B12R1.26 CC[C@@H](C)OCc1ccc(s1)Cl 0de99842d3c5f5fa38951a7d452fccb5 [0,2,0,0,0,0|0,2,0]=4 2038 B12R1.26 CC[C@@H](C)OCc1cnc(o1)C e48ce7d22d0ae9d5d48e6fb9e5e91f5f [0,2,0,0,0,0|1,1,0]=4 2039 B12R1.26 CC[C@@H](C)OCc1coc(=O)o1 0717b3e1d362f02e01d6294883f96a25 [0,2,0,0,0,0|1,1,0]=4 2040 B12R1.26 CC[C@H](C)CNc1ccc(o1)C bc48a925f0f79c49ca4094958480f77b [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.26 CC[C@H](C)NCc1cc(cs1)Br 34ba8636f07e8d9ae366080f97da7363 [0,2,0,0,0,0|1,1,0]=4 2042 B12R1.26 CC[C@H](C)NCc1cc(no1)Br e67bb7e005b244596efc01f8af0bb433 [0,2,0,0,0,0|2,0,0]=4 2043 B12R1.26 CC[C@H](C)NCc1cc(no1)C 4a51398bdd45ea38f913f311a59a1b31 [0,2,0,0,0,0|2,0,0]=4 2044 B12R1.26 CC[C@H](C)NCc1ccc(s1)Br 7b7cc06608efb8bfbc13380f1632cb44 [0,2,0,0,0,0|1,1,0]=4 2045 B12R1.26 CC[C@H](C)NCc1ccc(s1)Cl cdf370c673840ea2557ca98676278af8 [0,2,0,0,0,0|1,1,0]=4 2046 B12R1.26 CC[C@H](C)NCc1coc(=O)o1 2bbf0db5bb08117509a4cbb49ade97b8 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.26 CC[C@H](C)OCc1cc(cs1)Br a55b7c54687d54b91e1a6b329dc6f7da [0,2,0,0,0,0|0,2,0]=4 2048 B12R1.26 CC[C@H](C)OCc1cc(no1)Br ac270a7ddd859bb7217db42a4f4ed4f8 [0,2,0,0,0,0|1,1,0]=4 2049 B12R1.26 CC[C@H](C)OCc1cc(no1)C d92bb57450706e90e10937487a6da7ff [0,2,0,0,0,0|1,1,0]=4 2050 B12R1.26 CC[C@H](C)OCc1ccc(s1)Br 8a995694e9016ddb84189706f9d5ffcf [0,2,0,0,0,0|0,2,0]=4 2051 B12R1.26 CC[C@H](C)OCc1ccc(s1)Cl affd00b6383d0a0901010138d64f969a [0,2,0,0,0,0|0,2,0]=4 2052 B12R1.26 CC[C@H](C)OCc1cnc(o1)C 1fbd8e1d2631ba00ee19931b803aec27 [0,2,0,0,0,0|1,1,0]=4 2053 B12R1.26 CC[C@H](C)OCc1coc(=O)o1 b02057783bc4e39e3c55435faf4825b9 [0,2,0,0,0,0|1,1,0]=4 2054 B12R1.26 CO[C@@H](C)CNc1ccc(o1)C 095fa60624853cbedadcb32ba5cb1f38 [0,2,0,0,0,0|2,0,0]=4 2055 B12R1.26 CO[C@H](C)CNc1ccc(o1)C d0fd196d44a468604c0e1506d8fafcf2 [0,2,0,0,0,0|2,0,0]=4 2056 B12R1.26 C[C@@H](CO)NCc1cc(=O)[nH]o1 330dfcb110c2015f6e05e9d76b733eb9 [0,2,0,0,0,0|2,0,0]=4 2057 B12R1.26 C[C@@H](CO)NCc1cc(c[nH]1)Br 795d0e0619b4860dce90ef917845b73b [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.26 C[C@@H](CO)NCc1cc(cs1)Br 9811ebeef0b005e0f24ab0bf9d1802a3 [0,2,0,0,0,0|1,1,0]=4 2059 B12R1.26 C[C@@H](CO)NCc1cc(no1)Br e18e75754b3bc2198261a2b4117be154 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.26 C[C@@H](CO)NCc1ccc(o1)Br c592db4bd74d13b903586ee17c3d3264 [0,2,0,0,0,0|1,0,0]=3 2061 B12R1.26 C[C@@H](CO)NCc1ccc(s1)Br effe30800daa68348a91eb5c2856f66c [0,2,0,0,0,0|1,1,0]=4 2062 B12R1.26 C[C@@H](CO)NCc1ccc(s1)Cl 62294499bba5af17157fd5a396bad16c [0,2,0,0,0,0|1,1,0]=4 2063 B12R1.26 C[C@@H](CO)NCc1ccc(s1)F e088d05143be5972247cd12229f45401 [0,2,0,0,0,0|1,1,0]=4 2064 B12R1.26 C[C@@H](CO)NCc1coc(=O)o1 b6c95ff36a75d789bc3e75791b3cec4f [0,2,0,0,0,0|2,0,0]=4 2065 B12R1.26 C[C@@H](CO)NCc1ncc(o1)Br 0c5161586c5c39a8f7f56faa2c923305 [0,2,0,0,0,0|2,0,0]=4 2066 B12R1.26 C[C@H](C=O)NCc1ccc(o1)Br 04d395c41f1449e2db70973b730759a9 [0,2,0,0,0,0|1,0,1]=4 2067 B12R1.26 C[C@H](C=O)OCc1cc(co1)Br f3720967399eedd132ec100b7429934a [0,2,0,0,0,0|0,1,1]=4 2068 B12R1.26 C[C@H](C=O)OCc1ccc(o1)Br 634730723f4715fe852e513a6ca7f8bc [0,2,0,0,0,0|0,1,1]=4 2069 B12R1.26 C[C@H](CO)NCc1cc(=O)[nH]o1 edc85e5319fb6737ad5ec8b019b1f41d [0,2,0,0,0,0|2,0,0]=4 2070 B12R1.26 C[C@H](CO)NCc1cc(c[nH]1)Br 08c6a31c310dd622029954df6608bd32 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.26 C[C@H](CO)NCc1cc(cs1)Br f7302b4859961896f2f066595a15edeb [0,2,0,0,0,0|1,1,0]=4 2072 B12R1.26 C[C@H](CO)NCc1cc(no1)Br 61c3f46cf37ce5d01aca815fccb3df82 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.26 C[C@H](CO)NCc1ccc(o1)Br f7185e2915fa69d584289aabaaf68ef1 [0,2,0,0,0,0|1,0,0]=3 2074 B12R1.26 C[C@H](CO)NCc1ccc(s1)Br a58fc94db4607ae0acf215e8cd8bb8c9 [0,2,0,0,0,0|1,1,0]=4 2075 B12R1.26 C[C@H](CO)NCc1ccc(s1)Cl 9cf3333acf5509577ce532a139d57c05 [0,2,0,0,0,0|1,1,0]=4 2076 B12R1.26 C[C@H](CO)NCc1ccc(s1)F 6e6a9b89c32e8bb8a1e855aa26fff9e6 [0,2,0,0,0,0|1,1,0]=4 2077 B12R1.26 C[C@H](CO)NCc1coc(=O)o1 b3f69f76a2bb0f5d6a32a7695c2427bf [0,2,0,0,0,0|2,0,0]=4 2078 B12R1.26 C[C@H](CO)NCc1ncc(o1)Br 8b2e822a77e716dfab275fd7727617fe [0,2,0,0,0,0|2,0,0]=4 2079 B12R1.26 C[C@H](CS)OCc1cc(cs1)Br a04726b4d6de5c0c2cff3ae24201b3b4 [0,2,0,0,0,0|0,2,0]=4 2080 B12R1.26 C[C@H](CS)OCc1cc(no1)Br a2a17c8047759f6fa078877bbbea7397 [0,2,0,0,0,0|1,1,0]=4 2081 B12R1.26 C[C@H](CS)OCc1ccc(s1)Br 17dcb644e9587e76e1b4e3605174b100 [0,2,0,0,0,0|0,2,0]=4 2082 B12R1.26 C[C@H](CS)OCc1ccc(s1)Cl 0f148723afc3366274bdb8ed25aa9f77 [0,2,0,0,0,0|0,2,0]=4 2083 B12R1.26 C[C@H](CS)OCc1coc(=O)o1 ae10f0a8b1d7d555040be91a8b9140e5 [0,2,0,0,0,0|1,1,0]=4 2084 B12R1.26 C[C@H](CS)OCc1ncc(o1)Br 2a24afd738176bafdc3143ab82a900b6 [0,2,0,0,0,0|1,1,0]=4 2085 B12R1.26 Cc1cc(on1)CNC(C)CO 64e633f8ae6508a3a1d25a89fed90602 [0,2,0,0,0,0|2,0,0]=4 2086 B12R1.26 Cc1cc(on1)CN[C@@H](C)CO 0953e635ea4adf47b2bf67970cd6d4bf [0,2,0,0,0,0|2,0,0]=4 2087 B12R1.26 Cc1cc(on1)CN[C@H](C)CO 5189ca521c47764706bc9c5f17332210 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.26 Cc1cc(on1)COC(C)CF d8b1c0e7a0d0891e744995ce4634bfe0 [0,2,0,0,0,0|1,1,0]=4 2089 B12R1.26 Cc1cc(on1)COC(C)CS 725d446e38a29ffd30ff719607afec45 [0,2,0,0,0,0|1,1,0]=4 2090 B12R1.26 Cc1cc(on1)CO[C@H](C)CS 4ea472d72a7d2388abff34c3d87beb4c [0,2,0,0,0,0|1,1,0]=4 2091 B12R1.26 Cc1ccc(o1)CNC(C)C#N a6e49d4036879dae1d02401641140605 [0,2,0,0,0,0|1,0,1]=4 2092 B12R1.26 Cc1ccc(o1)CNC(C)C=O 53eaf062eee92109d13b869696dd1c55 [0,2,0,0,0,0|1,0,1]=4 2093 B12R1.26 Cc1ccc(o1)CNC(C)CO 0c6b21d245531c5916ffe3295bc4ecc2 [0,2,0,0,0,0|1,0,0]=3 2094 B12R1.26 Cc1ccc(o1)CN[C@@H](C)CO ed6d8f56d1f9194f4a93f49a94651bb0 [0,2,0,0,0,0|1,0,0]=3 2095 B12R1.26 Cc1ccc(o1)CN[C@H](C)C=O f7d2692f25e8f43d25137c3ff422c269 [0,2,0,0,0,0|1,0,1]=4 2096 B12R1.26 Cc1ccc(o1)CN[C@H](C)CO f8a9383084146406837c57b4a7eb1f38 [0,2,0,0,0,0|1,0,0]=3 2097 B12R1.26 Cc1ccc(o1)COC(C)C=O 6632f5002752aea652e01c077cceac27 [0,2,0,0,0,0|0,1,1]=4 2098 B12R1.26 Cc1ccc(o1)CO[C@H](C)C=O 57131f8e5893f9bbfd81431901d0515d [0,2,0,0,0,0|0,1,1]=4 2099 B12R1.26 Cc1ccc(o1)NCC(C)CO db6ecb85b36baade360c0825eeacfbd8 [0,2,0,0,0,0|2,0,0]=4 2100 B12R1.26 Cc1ccc(o1)NC[C@H](C)CO 543f9f8670175a67c603384f095bc8dc [0,2,0,0,0,0|2,0,0]=4 2101 B12R1.26 Cc1ccc(s1)CNC(C)CO ee5d1cb6b59f764ac06a08299f0469f9 [0,2,0,0,0,0|1,1,0]=4 2102 B12R1.26 Cc1ccc(s1)CN[C@@H](C)CO bc20e7b72b4fe1c2390b449cf776ce4b [0,2,0,0,0,0|1,1,0]=4 2103 B12R1.26 Cc1ccc(s1)CN[C@H](C)CO cc49b6ece5a96a4f19f8d2467f9e06b3 [0,2,0,0,0,0|1,1,0]=4 2104 B12R1.26 Cc1coc(c1)CNC(C)C=O 97998c03e3534d9b61eb304fe87bc345 [0,2,0,0,0,0|1,0,1]=4 2105 B12R1.26 Cc1coc(c1)CNC(C)CO 243b538571e3646180bb8545e5518890 [0,2,0,0,0,0|1,0,0]=3 2106 B12R1.26 Cc1coc(c1)CN[C@@H](C)CO 0fcd1f344e56237d47eacdfd9713cbd6 [0,2,0,0,0,0|1,0,0]=3 2107 B12R1.26 Cc1coc(c1)CN[C@H](C)C=O df67d77ace2ce0d10424d39c72830b95 [0,2,0,0,0,0|1,0,1]=4 2108 B12R1.26 Cc1coc(c1)CN[C@H](C)CO f41d5f4bfa9c73b6810e1bc91c0bc06a [0,2,0,0,0,0|1,0,0]=3 2109 B12R1.26 Cc1coc(n1)CNC(C)CO 0884a09fa1427e5a8c0e97fe24b6106d [0,2,0,0,0,0|2,0,0]=4 2110 B12R1.26 Cc1csc(c1)CNC(C)CO 84b64bbf79ed7fc076e6e766ff4741fe [0,2,0,0,0,0|1,1,0]=4 2111 B12R1.26 Cc1csc(c1)CN[C@@H](C)CO 02ac0253a66e1e8d4e0caa1caa352d7e [0,2,0,0,0,0|1,1,0]=4 2112 B12R1.26 Cc1csc(c1)CN[C@H](C)CO 81c6404690c842421bed54f9a816e3f0 [0,2,0,0,0,0|1,1,0]=4 2113 B12R1.51 C#CCC(C)OCc1cccs1 3613e6545d3a2d646a7cc0dde3d47ea5 [0,2,0,0,0,0|0,2,0]=4 2114 B12R1.51 C#CCC(C)OCc1ccno1 c2782736014a2afa57bfff96fbba1c30 [0,2,0,0,0,0|1,1,0]=4 2115 B12R1.51 C#CCC(C)OCc1ncco1 1b7ee2f7be6c252379f1f8e785faef41 [0,2,0,0,0,0|1,1,0]=4 2116 B12R1.51 C/C=C/C(C)OCc1ccco1 224d0b9f11b178ffce7dc47aa4f5f4d6 [0,2,0,0,0,0|0,1,0]=3 2117 B12R1.51 C/C=C/C(C)OCc1cccs1 2e3b2ee48ae717966f70edd4e994140f [0,2,0,0,0,0|0,2,0]=4 2118 B12R1.51 C/C=C/C(C)OCc1ccno1 38ea1903e2d507e16ec656a7d5701384 [0,2,0,0,0,0|1,1,0]=4 2119 B12R1.51 C/C=C/C(C)OCc1ncco1 2e8d8ee33187cef180eff6a0cea2166c [0,2,0,0,0,0|1,1,0]=4 2120 B12R1.51 C=CCC(C)COc1ccco1 70d8dee7bbbb6be24ac18f90788f8f6c [0,2,0,0,0,0|2,0,0]=4 2121 B12R1.51 C=CCC(C)OCc1ccco1 1bc68026b6d251c7fc87fced12138021 [0,2,0,0,0,0|0,1,0]=3 2122 B12R1.51 C=CCC(C)OCc1cccs1 b47a97aad96a4c52e103e513ecfc081b [0,2,0,0,0,0|0,2,0]=4 2123 B12R1.51 C=CCC(C)OCc1ccno1 84bfd8e649de711407584e2a8c8b27c4 [0,2,0,0,0,0|1,1,0]=4 2124 B12R1.51 C=CCC(C)OCc1ncco1 2b79a44f8787754296308e6ea4183d60 [0,2,0,0,0,0|1,1,0]=4 2125 B12R1.51 C=CC[C@@H](C)OCc1ccco1 ef09c19ad713df61d258a6460d7566e9 [0,2,0,0,0,0|0,1,0]=3 2126 B12R1.51 C=CC[C@@H](C)OCc1cccs1 1c47c8612e0230e5cc75436f83da58de [0,2,0,0,0,0|0,2,0]=4 2127 B12R1.51 C=CC[C@@H](C)OCc1ccno1 2e0a8dfb7f1ce333d0efac0eed99e90f [0,2,0,0,0,0|1,1,0]=4 2128 B12R1.51 C=CC[C@@H](C)OCc1ncco1 d61354a3fd48fd2ad5d06c5405ca9e8b [0,2,0,0,0,0|1,1,0]=4 2129 B12R1.51 C=CC[C@H](C)OCc1ccco1 d5e4598cf0317edea0f01223de2e0200 [0,2,0,0,0,0|0,1,0]=3 2130 B12R1.51 C=CC[C@H](C)OCc1cccs1 6c27a8c5e1db7db2b71032cb3dbfd481 [0,2,0,0,0,0|0,2,0]=4 2131 B12R1.51 C=CC[C@H](C)OCc1ccno1 f3661d97888965329588ae801eeb6cae [0,2,0,0,0,0|1,1,0]=4 2132 B12R1.51 C=CC[C@H](C)OCc1ncco1 e0c88bfe564bd263eef9bc88b23f5975 [0,2,0,0,0,0|1,1,0]=4 2133 B12R1.51 CC#CC(C)OCc1ccco1 fe3fe54463ec75a2701b51985e3cabb4 [0,2,0,0,0,0|0,1,0]=3 2134 B12R1.51 CC#CC(C)OCc1cccs1 cf5fd118538141da8452f49aa9ac4b91 [0,2,0,0,0,0|0,2,0]=4 2135 B12R1.51 CC#CC(C)OCc1ccno1 56460a79a3ae0bb08db5780a14efae0f [0,2,0,0,0,0|1,1,0]=4 2136 B12R1.51 CC#CC(C)OCc1ncco1 592028f36030b6b711a9b863557155b2 [0,2,0,0,0,0|1,1,0]=4 2137 B12R1.51 CC(CC#N)NCc1ccc[nH]1 676330ff1894e36c5bd1ec8e1965c4bc [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.51 CC(CC#N)NCc1ccco1 78bc27d5b69303ec13beeab1cfff6ed7 [0,2,0,0,0,0|1,0,0]=3 2139 B12R1.51 CC(CC#N)NCc1cccs1 5999df9a449aa7d5c8378a75a2cd6060 [0,2,0,0,0,0|1,1,0]=4 2140 B12R1.51 CC(CC#N)NCc1ccno1 3da8d47a2f6ef457d981ae83e10702f6 [0,2,0,0,0,0|2,0,0]=4 2141 B12R1.51 CC(CC#N)NCc1cnco1 d165d3a8a8df13974c716f6502b7c9c6 [0,2,0,0,0,0|2,0,0]=4 2142 B12R1.51 CC(CC#N)NCc1ncco1 44c86aa3ed5214917e1904ba31caf016 [0,2,0,0,0,0|2,0,0]=4 2143 B12R1.51 CC(CC#N)OCc1ccc[nH]1 b4f6a38038c0018acedb6e532e7ca3e6 [0,2,0,0,0,0|1,1,0]=4 2144 B12R1.51 CC(CC#N)OCc1ccco1 22af80c465fe6413980c587ede348482 [0,2,0,0,0,0|0,1,0]=3 2145 B12R1.51 CC(CC#N)OCc1cccs1 72ac57e0add659895c66b29599e81e6e [0,2,0,0,0,0|0,2,0]=4 2146 B12R1.51 CC(CC#N)OCc1ccno1 a6cf17c2ef56b008ed12d2b30f03553e [0,2,0,0,0,0|1,1,0]=4 2147 B12R1.51 CC(CC#N)OCc1cnco1 110caaf264f4c449c015aea78e2a0e06 [0,2,0,0,0,0|1,1,0]=4 2148 B12R1.51 CC(CC#N)OCc1ncco1 334e00e57e160a71a664f12fdaa4da14 [0,2,0,0,0,0|1,1,0]=4 2149 B12R1.51 CC(CCO)CNc1ccco1 16b55a1d3faa75b626809cde263e7c90 [0,2,0,0,0,0|2,0,0]=4 2150 B12R1.51 CC(CCO)NCc1ccc[nH]1 e5e2cb35463e81bc1f18df1a0f7dc963 [0,2,0,0,0,0|2,0,0]=4 2151 B12R1.51 CC(CCO)NCc1ccco1 11702033a1579b20eed49e6d576137ee [0,2,0,0,0,0|1,0,0]=3 2152 B12R1.51 CC(CCO)NCc1cccs1 1df39dcb2f787852388ec4dade998c2a [0,2,0,0,0,0|1,1,0]=4 2153 B12R1.51 CC(CCO)NCc1ccno1 d05f9dcd1654ba1cfafc6ae6c495c3c5 [0,2,0,0,0,0|2,0,0]=4 2154 B12R1.51 CC(CCO)NCc1cnco1 96eb376713743c79fe8166611eed0088 [0,2,0,0,0,0|2,0,0]=4 2155 B12R1.51 CC(CCO)NCc1ncco1 94e65798f92bca6efa15d01a6e9f18e7 [0,2,0,0,0,0|2,0,0]=4 2156 B12R1.51 CC(CCc1ccco1)NC=O 1c82c8a0205a8482693e263e47a5852f [0,2,0,0,0,0|1,0,1]=4 2157 B12R1.51 CC(CCc1ccco1)NCF ce337077e54e76bb5e56398ee7707348 [0,2,0,0,0,0|1,0,0]=3 2158 B12R1.51 CC(CCc1ccco1)NCO 40b1b0064db4a12d2ac25802cf40d251 [0,2,0,0,0,0|1,0,0]=3 2159 B12R1.51 CC=CC(C)OCc1ccco1 a885fedb14f0c6ad64c604f31663c5ab [0,2,0,0,0,0|0,1,0]=3 2160 B12R1.51 CC=CC(C)OCc1cccs1 7965b3706bc82eafd2e1bf3105319c72 [0,2,0,0,0,0|0,2,0]=4 2161 B12R1.51 CC=CC(C)OCc1ccno1 08f3efc6bf3c2d1cb7fdb683c3660cde [0,2,0,0,0,0|1,1,0]=4 2162 B12R1.51 CC=CC(C)OCc1ncco1 c3c46b299dcaa05ca2c4ae4805f8d731 [0,2,0,0,0,0|1,1,0]=4 2163 B12R1.51 CCCC(C)COc1ccco1 34efdae75d957bce0bf87430fb46fa04 [0,2,0,0,0,0|2,0,0]=4 2164 B12R1.51 CCCC(C)NCc1ccc[nH]1 fde5323aa770ee56f256714bc38e0ec7 [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.51 CCCC(C)NCc1ccco1 cb2feb7a0aebe23af976f4fc49eafc65 [0,2,0,0,0,0|1,0,0]=3 2166 B12R1.51 CCCC(C)NCc1cccs1 e0ce5982de762113b1abdaca0a678db6 [0,2,0,0,0,0|1,1,0]=4 2167 B12R1.51 CCCC(C)NCc1ccno1 7958a1a161ec5da350c1c94dcdbd70f1 [0,2,0,0,0,0|2,0,0]=4 2168 B12R1.51 CCCC(C)NCc1cnco1 14a5e3079579ba96e10f89329897880a [0,2,0,0,0,0|2,0,0]=4 2169 B12R1.51 CCCC(C)NCc1ncco1 14fcb8f30a5c93d17afb56f089844496 [0,2,0,0,0,0|2,0,0]=4 2170 B12R1.51 CCCC(C)OCc1ccc[nH]1 e8b53a69c0450e7fe31fe382211383ca [0,2,0,0,0,0|1,1,0]=4 2171 B12R1.51 CCCC(C)OCc1ccco1 8c1a6f378e4d0c7509435db854b3c00e [0,2,0,0,0,0|0,1,0]=3 2172 B12R1.51 CCCC(C)OCc1cccs1 fce4062442748da307d6ad6be6b23353 [0,2,0,0,0,0|0,2,0]=4 2173 B12R1.51 CCCC(C)OCc1ccno1 1d5eabd565785dbc8f0da0c8f99b2b06 [0,2,0,0,0,0|1,1,0]=4 2174 B12R1.51 CCCC(C)OCc1cnco1 5bb6cf40263559e0b4fc0d60ee668ec8 [0,2,0,0,0,0|1,1,0]=4 2175 B12R1.51 CCCC(C)OCc1ncco1 b103e2dbd32d8ca5155a3ce9b00c3c24 [0,2,0,0,0,0|1,1,0]=4 2176 B12R1.51 CCC[C@@H](C)OCc1ccco1 6b8e6cdeb644c476e2b16b0282ac258d [0,2,0,0,0,0|0,1,0]=3 2177 B12R1.51 CCC[C@@H](C)OCc1cccs1 21a459ce35e5a768a12dc072f179611b [0,2,0,0,0,0|0,2,0]=4 2178 B12R1.51 CCC[C@@H](C)OCc1ccno1 14bd36e79839b8ae1b438442d134d00e [0,2,0,0,0,0|1,1,0]=4 2179 B12R1.51 CCC[C@@H](C)OCc1ncco1 a68909eaa8b854a54a82b6e2ebb95ff9 [0,2,0,0,0,0|1,1,0]=4 2180 B12R1.51 CCC[C@H](C)NCc1ccco1 88f3a404ee4e8db0f2ab54f158bc5173 [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.51 CCC[C@H](C)NCc1cccs1 75594d07b8627a1ea42d59e45207aab7 [0,2,0,0,0,0|1,1,0]=4 2182 B12R1.51 CCC[C@H](C)NCc1ccno1 9fd1a6ef6f4ef27adab7a880f8cba9e9 [0,2,0,0,0,0|2,0,0]=4 2183 B12R1.51 CCC[C@H](C)NCc1ncco1 0900674f19e82891d373d8fe81d9ce71 [0,2,0,0,0,0|2,0,0]=4 2184 B12R1.51 CCC[C@H](C)OCc1ccco1 cadc03b063a9a894c57a4fe17016059c [0,2,0,0,0,0|0,1,0]=3 2185 B12R1.51 CCC[C@H](C)OCc1cccs1 46b1133f1b38a8ac4c4ff41828957992 [0,2,0,0,0,0|0,2,0]=4 2186 B12R1.51 CCC[C@H](C)OCc1ccno1 63430d1ef3e77efeac7c25f759e663a4 [0,2,0,0,0,0|1,1,0]=4 2187 B12R1.51 CCC[C@H](C)OCc1ncco1 90e1f95c6ccffb80012a288aa40d80ad [0,2,0,0,0,0|1,1,0]=4 2188 B12R1.51 CCNC(C)CCc1ccco1 f42d1b148652fa7fbd65e0d76e4e70e5 [0,2,0,0,0,0|1,0,0]=3 2189 B12R1.51 CCOC(C)CNc1ccco1 c35a8f7752496ad9ebcfa4262e007df3 [0,2,0,0,0,0|2,0,0]=4 2190 B12R1.51 COCC(C)NCc1ccc[nH]1 32c713ebec4b2a050b53153f9173999e [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.51 COCC(C)NCc1ccco1 e988928688b2011921c1d1af79e6c2a0 [0,2,0,0,0,0|1,0,0]=3 2192 B12R1.51 COCC(C)NCc1cccs1 05e75dd18606919e058d3229c0252de7 [0,2,0,0,0,0|1,1,0]=4 2193 B12R1.51 COCC(C)NCc1ccno1 fbdc39e5afa40bb8d067e73e01133957 [0,2,0,0,0,0|2,0,0]=4 2194 B12R1.51 COCC(C)NCc1cnco1 972aefbf94cec76ffd9a935bee87dede [0,2,0,0,0,0|2,0,0]=4 2195 B12R1.51 COCC(C)NCc1ncco1 daa7b037b1593329b3c98d86eb9750bd [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.51 COCC(C)OCc1ccc[nH]1 2dcec192c8371064ffcd43c8cedf7663 [0,2,0,0,0,0|1,1,0]=4 2197 B12R1.51 COCC(C)OCc1ccco1 40a0446d9633dae720b223c566087f51 [0,2,0,0,0,0|0,1,0]=3 2198 B12R1.51 COCC(C)OCc1cccs1 83fc478415468836043d7b86b37d5d6b [0,2,0,0,0,0|0,2,0]=4 2199 B12R1.51 COCC(C)OCc1ccno1 e1fd9190f142f3041b3723696e36e2f5 [0,2,0,0,0,0|1,1,0]=4 2200 B12R1.51 COCC(C)OCc1cnco1 0cf73d4ee45556db3851d972bf916076 [0,2,0,0,0,0|1,1,0]=4 2201 B12R1.51 COCC(C)OCc1ncco1 ecf6173355e9e79204f44e815e522c4d [0,2,0,0,0,0|1,1,0]=4 2202 B12R1.51 COC[C@@H](C)NCc1ccco1 48ba1c350f0bc3eb97a748b5f4ce0280 [0,2,0,0,0,0|1,0,0]=3 2203 B12R1.51 COC[C@@H](C)NCc1cccs1 d78b43c0a656455a56c06f116a530a97 [0,2,0,0,0,0|1,1,0]=4 2204 B12R1.51 COC[C@@H](C)NCc1ccno1 ce446a9d4c0b00717885f25454225078 [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.51 COC[C@@H](C)NCc1ncco1 1cb79e7354c477085f7c15ca15124286 [0,2,0,0,0,0|2,0,0]=4 2206 B12R1.51 COC[C@@H](C)OCc1ccco1 2b70f4be55925a09fb9919fd8d6f5c2b [0,2,0,0,0,0|0,1,0]=3 2207 B12R1.51 COC[C@@H](C)OCc1cccs1 21e652c938a540980350203afbe36eb1 [0,2,0,0,0,0|0,2,0]=4 2208 B12R1.51 COC[C@@H](C)OCc1ccno1 ee61d07e14988d9c438bf40159b26af2 [0,2,0,0,0,0|1,1,0]=4 2209 B12R1.51 COC[C@@H](C)OCc1ncco1 200a311d058b53d918f37b536cb2509e [0,2,0,0,0,0|1,1,0]=4 2210 B12R1.51 COC[C@H](C)NCc1ccco1 57641007ce76eb068c268e30e2934e46 [0,2,0,0,0,0|1,0,0]=3 2211 B12R1.51 COC[C@H](C)NCc1cccs1 639edf85bdf87af66215c18be2a8abed [0,2,0,0,0,0|1,1,0]=4 2212 B12R1.51 COC[C@H](C)NCc1ccno1 5806f526e84e89dc02f7ea4b316aad5c [0,2,0,0,0,0|2,0,0]=4 2213 B12R1.51 COC[C@H](C)NCc1ncco1 93df98140318b4969b3353179a336cb8 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.51 COC[C@H](C)OCc1ccco1 64c52da4a06710ec3d57af2a4b680cea [0,2,0,0,0,0|0,1,0]=3 2215 B12R1.51 COC[C@H](C)OCc1cccs1 6b8c28e7c9fc846b125116a57f609e32 [0,2,0,0,0,0|0,2,0]=4 2216 B12R1.51 COC[C@H](C)OCc1ccno1 76ba38c853b990b0464cc3cde1883f2c [0,2,0,0,0,0|1,1,0]=4 2217 B12R1.51 COC[C@H](C)OCc1ncco1 58904ab7c1429b47783e3f569542a7a5 [0,2,0,0,0,0|1,1,0]=4 2218 B12R1.51 CSCC(C)OCc1ccco1 71ab78b4d4dee23a64291c60ab95c89e [0,2,0,0,0,0|0,1,0]=3 2219 B12R1.51 CSCC(C)OCc1cccs1 9de5a4a8ca27611c5754d5e1b71d3495 [0,2,0,0,0,0|0,2,0]=4 2220 B12R1.51 CSCC(C)OCc1ccno1 69a1955b0fb4d993ce5eb9f36185fb85 [0,2,0,0,0,0|1,1,0]=4 2221 B12R1.51 CSCC(C)OCc1ncco1 515a1cd43e0fdd038508359bb68a6023 [0,2,0,0,0,0|1,1,0]=4 2222 B12R1.51 C[C@@H](CC#N)OCc1cccs1 bf3eb904b26824e787a8105b310e1991 [0,2,0,0,0,0|0,2,0]=4 2223 B12R1.51 C[C@@H](CC#N)OCc1ccno1 c7272872b8f275bea53a8190a6bf9c3b [0,2,0,0,0,0|1,1,0]=4 2224 B12R1.51 C[C@@H](CC#N)OCc1ncco1 522068446903d70f01f22153918883a7 [0,2,0,0,0,0|1,1,0]=4 2225 B12R1.51 C[C@@H](CCO)NCc1ccco1 446d8ce367a36d682569a494e5d65e75 [0,2,0,0,0,0|1,0,0]=3 2226 B12R1.51 C[C@@H](CCO)NCc1cccs1 023e88f6338ad39200cade2af235b120 [0,2,0,0,0,0|1,1,0]=4 2227 B12R1.51 C[C@@H](CCO)NCc1ccno1 f9354da373441e48043bab2218a918d2 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.51 C[C@@H](CCO)NCc1ncco1 630eda8b85b589f06ba0ea5755916d59 [0,2,0,0,0,0|2,0,0]=4 2229 B12R1.51 C[C@H](CC#N)OCc1cccs1 e951213288dcca48acd32e7715bde511 [0,2,0,0,0,0|0,2,0]=4 2230 B12R1.51 C[C@H](CC#N)OCc1ccno1 d44398fe51a564260e0be9a44ff3a785 [0,2,0,0,0,0|1,1,0]=4 2231 B12R1.51 C[C@H](CC#N)OCc1ncco1 4e7508c73c9239971e590a1e58c7eed0 [0,2,0,0,0,0|1,1,0]=4 2232 B12R1.51 C[C@H](CCO)NCc1ccco1 b5ad87abc9797a3ad19f0d345a5fd06b [0,2,0,0,0,0|1,0,0]=3 2233 B12R1.51 C[C@H](CCO)NCc1cccs1 db493bae25e30700c39fe9a8d4c854f3 [0,2,0,0,0,0|1,1,0]=4 2234 B12R1.51 C[C@H](CCO)NCc1ccno1 c6bb07f5456d33af3859fab93d83e3dc [0,2,0,0,0,0|2,0,0]=4 2235 B12R1.51 C[C@H](CCO)NCc1ncco1 245cd74625c8817b6d9ad9d9a6c1beab [0,2,0,0,0,0|2,0,0]=4 2236 B12R1.108 C=CC(C)N(C)Cc1ccco1 0f5429e55a58a7f4e73e893eaea92726 [0,2,0,0,0,0|1,0,1]=4 2237 B12R1.108 CC(C=O)N(C)Cc1ccco1 3777c92c12c36502657f71a224979b77 [0,2,0,0,0,0|1,0,1]=4 2238 B12R1.108 CC(CO)N(C)Cc1ccc[nH]1 b8476c28bcd086e985f3d28bf3aa2c3e [0,2,0,0,0,0|2,0,0]=4 2239 B12R1.108 CC(CO)N(C)Cc1ccco1 b40a4a98bb69461d2dc10f2a7230458b [0,2,0,0,0,0|1,0,0]=3 2240 B12R1.108 CC(CO)N(C)Cc1cccs1 b2cd427e7bd66dde7712411e653d6ca0 [0,2,0,0,0,0|1,1,0]=4 2241 B12R1.108 CC(CO)N(C)Cc1ccno1 41016ebbc594268511e6d4e3bc433839 [0,2,0,0,0,0|2,0,0]=4 2242 B12R1.108 CC(CO)N(C)Cc1ncco1 415e2f3fac95d3b92662410c0d9ee30e [0,2,0,0,0,0|2,0,0]=4 2243 B12R1.108 CCC(C)N(C)Cc1ccc[nH]1 50fb4578989f3b799715acd22550e068 [0,2,0,0,0,0|2,0,0]=4 2244 B12R1.108 CCC(C)N(C)Cc1ccco1 36935af45dd1c65090445c9f9f05e501 [0,2,0,0,0,0|1,0,0]=3 2245 B12R1.108 CCC(C)N(C)Cc1cccs1 b96ae28cdb564b81524c37027816b9fb [0,2,0,0,0,0|1,1,0]=4 2246 B12R1.108 CCC(C)N(C)Cc1ccno1 5bb74cd1d162bb1a39c41a06cf1da68f [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.108 CCC(C)N(C)Cc1ncco1 3bff845483acbdf2dc12f9df0345517b [0,2,0,0,0,0|2,0,0]=4 2248 B12R1.108 CCN(C)C(=O)Cc1ccco1 2a2fb23d439b290d834b7a7b556c4398 [0,2,0,0,0,0|2,0,0]=4 2249 B12R1.108 C[C@@H](CO)N(C)Cc1ccc[nH]1 e79506c1e166f99374546f6ddad16d18 [0,2,0,0,0,0|2,0,0]=4 2250 B12R1.108 C[C@@H](CO)N(C)Cc1ccco1 6f3fbf283c2e26b631df009de1ba4083 [0,2,0,0,0,0|1,0,0]=3 2251 B12R1.108 C[C@@H](CO)N(C)Cc1cccs1 365dca3d2fce3c1e1a84ef4b23821747 [0,2,0,0,0,0|1,1,0]=4 2252 B12R1.108 C[C@@H](CO)N(C)Cc1ccno1 4c213b414d58c24779adda6068018daa [0,2,0,0,0,0|2,0,0]=4 2253 B12R1.108 C[C@@H](CO)N(C)Cc1ncco1 811fd91440facde9d1f5109a0977a77f [0,2,0,0,0,0|2,0,0]=4 2254 B12R1.108 C[C@H](C=O)N(C)Cc1ccco1 e86a72e3f2a4af41d17fa97f7c765fde [0,2,0,0,0,0|1,0,1]=4 2255 B12R1.108 C[C@H](CO)N(C)Cc1ccc[nH]1 458538ab0d2cbf06689360cbe5f6cfcf [0,2,0,0,0,0|2,0,0]=4 2256 B12R1.108 C[C@H](CO)N(C)Cc1ccco1 86962ae6942753f852b66186d0225c19 [0,2,0,0,0,0|1,0,0]=3 2257 B12R1.108 C[C@H](CO)N(C)Cc1cccs1 27604b9108dd16b91a75b14fcd85d7e6 [0,2,0,0,0,0|1,1,0]=4 2258 B12R1.108 C[C@H](CO)N(C)Cc1ccno1 e17c3eea2c5da86020f438a8b28040b9 [0,2,0,0,0,0|2,0,0]=4 2259 B12R1.108 C[C@H](CO)N(C)Cc1ncco1 837a215ca20a39877f4678141c7ab08d [0,2,0,0,0,0|2,0,0]=4 2260 B12R1.196 C#CC(C)(C)NCc1ccco1 db818eb0081a45e6c2237e0bfe835319 [0,2,0,0,0,0|1,0,0]=3 2261 B12R1.196 C#CC(C)(C)NCc1cccs1 600d4c31c1d3d057718ad44288095868 [0,2,0,0,0,0|1,1,0]=4 2262 B12R1.196 C#CC(C)(C)NCc1ccno1 31d662d8c7b7f339e7c4944d4c07bf6e [0,2,0,0,0,0|2,0,0]=4 2263 B12R1.196 C#CC(C)(C)NCc1ncco1 859a63820afa65788211d21e68d87452 [0,2,0,0,0,0|2,0,0]=4 2264 B12R1.196 CC(C)(C#N)COc1ccco1 5c8ae63c94b542b86039c066127bdf68 [0,2,0,0,0,0|2,0,0]=4 2265 B12R1.196 CC(C)(C#N)NCc1ccco1 8b25730e3b2c618705038add17f8ed9d [0,2,0,0,0,0|1,0,0]=3 2266 B12R1.196 CC(C)(C#N)NCc1cccs1 5c5f376242c1e71cf352f8ab2b3cc1c5 [0,2,0,0,0,0|1,1,0]=4 2267 B12R1.196 CC(C)(C#N)NCc1ccno1 b55c9797695503c04ed66f5bca44d45d [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.196 CC(C)(C#N)NCc1ncco1 407fc5c4b782655851f93a2dc4afbb48 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.196 CC(C)(CF)NCc1cccs1 20fbf49faa5d665ea05111221186ae84 [0,2,0,0,0,0|1,1,0]=4 2270 B12R1.196 CC(C)(CF)NCc1ccno1 4aa124e176ca5fe9947f34289ba02dc5 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.196 CC(C)(CF)NCc1ncco1 23c38d4dc6279a83d28680b59b18dfba [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.196 CC(C)(CO)CNc1ccco1 952bbcb8130607ae25d8f34b0417bb85 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.196 CC(C)(CO)NCc1ccco1 bf3178ff6bb7331d0f53002c1cbedd8c [0,2,0,0,0,0|1,0,0]=3 2274 B12R1.196 CC(C)(CO)NCc1cccs1 5a4cc0e5de8fb049223a5f56a31abf99 [0,2,0,0,0,0|1,1,0]=4 2275 B12R1.196 CC(C)(CO)NCc1ccno1 f385e29666a1b1cbfce0e95cd33ec181 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.196 CC(C)(CO)NCc1cnco1 06488ab8e8a3009eaa02ace0a9a648df [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.196 CC(C)(CO)NCc1ncco1 44559e94e80d6989bfb1bb19439f30f1 [0,2,0,0,0,0|2,0,0]=4 2278 B12R1.196 CCC(C)(C)NCc1cccs1 0b337006a1390e9308c249dfcb8ab789 [0,2,0,0,0,0|1,1,0]=4 2279 B12R1.196 CCC(C)(C)NCc1ccno1 6ecf1e33643e8774a271bb556906ae07 [0,2,0,0,0,0|2,0,0]=4 2280 B12R1.196 CCC(C)(C)NCc1ncco1 78b1d4793743df4bcf160f25590a719d [0,2,0,0,0,0|2,0,0]=4 2281 B12R1.196 COC(C)(C)COc1ccco1 9833e82970048c1616916b4535e158e1 [0,2,0,0,0,0|2,0,0]=4 2282 B12R1.297 BrCC(CBr)OCc1ccco1 8ac4ad60948df8e84ed3b22af5085eca [0,2,0,0,0,0|0,1,0]=3 2283 B12R1.297 BrCC(CBr)OCc1cccs1 ee8afec8afaf9fa1d38c5328651663ad [0,2,0,0,0,0|0,2,0]=4 2284 B12R1.297 BrCC(CBr)OCc1ccno1 b4377278ba80a8c9107e762eea7fb808 [0,2,0,0,0,0|1,1,0]=4 2285 B12R1.297 BrCC(CBr)OCc1ncco1 01c2b2e9f93371fa8a1f36518d648fcf [0,2,0,0,0,0|1,1,0]=4 2286 B12R1.297 C#CC(CC)OCc1ccco1 68994569e963c3b426a53e1c654c0d3a [0,2,0,0,0,0|0,1,1]=4 2287 B12R1.297 C=CC(CC)OCc1ccco1 76f5c4576d0fb12c7e11aa4b82810f98 [0,2,0,0,0,0|0,1,1]=4 2288 B12R1.297 C=C[C@@H](CO)NCc1ccco1 2c6365c300a9c572a4524831c51b5f1b [0,2,0,0,0,0|1,0,1]=4 2289 B12R1.297 CCC(C=O)NCc1ccco1 856e135eecac705a7dc836af14239519 [0,2,0,0,0,0|1,0,1]=4 2290 B12R1.297 CCC(C=O)OCc1ccco1 573cf798ce6387eaf35edd96250f243a [0,2,0,0,0,0|0,1,1]=4 2291 B12R1.297 CCC(CC)CNc1ccco1 5fa738e608623ada493d581411cd7b43 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.297 CCC(CC)COc1ccco1 b2deb7373e2a838d20ba288fe3068cc0 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.297 CCC(CC)NCc1ccc[nH]1 38fb836b8c9a134cca4638947e169dc4 [0,2,0,0,0,0|2,0,0]=4 2294 B12R1.297 CCC(CC)NCc1ccco1 2656acf089ef60bd70f390a02f914b3b [0,2,0,0,0,0|1,0,0]=3 2295 B12R1.297 CCC(CC)NCc1cccs1 a3052a1cb277df7bf1fe4c60856bb89e [0,2,0,0,0,0|1,1,0]=4 2296 B12R1.297 CCC(CC)NCc1ccno1 a17981c996a5117b2ef593002d32ed9f [0,2,0,0,0,0|2,0,0]=4 2297 B12R1.297 CCC(CC)NCc1cnco1 cece6f94a4e3ea6abfd2089680de7a6d [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.297 CCC(CC)NCc1ncco1 47d0833cf8d6057984f2a5f139d78ebd [0,2,0,0,0,0|2,0,0]=4 2299 B12R1.297 CCC(CC)OCc1ccc[nH]1 8bc1d1a5d230dd7ce59151b2cd7581ff [0,2,0,0,0,0|1,1,0]=4 2300 B12R1.297 CCC(CC)OCc1ccco1 6d2a02b6bed59d5730628d34435ea7d3 [0,2,0,0,0,0|0,1,0]=3 2301 B12R1.297 CCC(CC)OCc1cccs1 0efdcc5207d73eb5704d05b6d7b6dbf4 [0,2,0,0,0,0|0,2,0]=4 2302 B12R1.297 CCC(CC)OCc1ccno1 317cc49061a34757cdf190c3ff3ffd5a [0,2,0,0,0,0|1,1,0]=4 2303 B12R1.297 CCC(CC)OCc1cnco1 4a40f9514e14a90479c47111f892a031 [0,2,0,0,0,0|1,1,0]=4 2304 B12R1.297 CCC(CC)OCc1ncco1 793d540279d5699f7a25a360dcd3e5f6 [0,2,0,0,0,0|1,1,0]=4 2305 B12R1.297 CCC(CO)CNc1ccco1 1cbdbf9306c8a4f3133971f80fcf4f51 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.297 CCC(CO)NCc1ccc[nH]1 8e2bca69bdf9043ffb1af7315e2fea90 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.297 CCC(CO)NCc1ccco1 f47cec5346c1ff20159cc8efa0ac5539 [0,2,0,0,0,0|1,0,0]=3 2308 B12R1.297 CCC(CO)NCc1cccs1 f1e5fc0a8d1e6a83958c963650911f5e [0,2,0,0,0,0|1,1,0]=4 2309 B12R1.297 CCC(CO)NCc1ccno1 184526782e4f7c20b53ed0922bd7eb35 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.297 CCC(CO)NCc1cnco1 5882756317b5756d7a0c6dbdc8f9889d [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.297 CCC(CO)NCc1ncco1 a9d2ca2b03e269ffa8f9f24669a9305b [0,2,0,0,0,0|2,0,0]=4 2312 B12R1.297 CC[C@@H](CO)NCc1ccco1 aecaf622725862e184900f70eeaa4dfb [0,2,0,0,0,0|1,0,0]=3 2313 B12R1.297 CC[C@@H](CO)NCc1cccs1 c7471af4ab3e4c355c999f67ab1ab305 [0,2,0,0,0,0|1,1,0]=4 2314 B12R1.297 CC[C@@H](CO)NCc1ccno1 97c04e8ec73ded020473080238415869 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.297 CC[C@@H](CO)NCc1ncco1 a5eed1f7390500950af99a3ad2d143ba [0,2,0,0,0,0|2,0,0]=4 2316 B12R1.297 CC[C@H](CO)NCc1ccco1 948a47662d46b2f8ee5dffab921d591d [0,2,0,0,0,0|1,0,0]=3 2317 B12R1.297 CC[C@H](CO)NCc1cccs1 f54e56a6424691188f7e109abcdaedc3 [0,2,0,0,0,0|1,1,0]=4 2318 B12R1.297 CC[C@H](CO)NCc1ccno1 323b7419a4d19b5285e653ff81b0a41c [0,2,0,0,0,0|2,0,0]=4 2319 B12R1.297 CC[C@H](CO)NCc1ncco1 c51a34b8d65f68954ccdf9759314cb05 [0,2,0,0,0,0|2,0,0]=4 2320 B12R1.297 COC(COc1ccco1)OC b298a8846d3d1a28ccdd4f3a34266f58 [0,2,0,0,0,0|2,0,0]=4 2321 B12R1.297 CO[C@@H](CO)CNc1ccco1 c58d39aea34f1b238668053cd25c4615 [0,2,0,0,0,0|2,0,0]=4 2322 B12R1.297 ClCC(CBr)OCc1ccco1 eed50c6c7172d5e95fd433ec945de635 [0,2,0,0,0,0|0,1,0]=3 2323 B12R1.297 ClCC(CBr)OCc1cccs1 4f6e2cc3c9b975c5daacde26e99c8fb2 [0,2,0,0,0,0|0,2,0]=4 2324 B12R1.297 ClCC(CBr)OCc1ccno1 7cac7ac062b43d2a90b504f8f331ac96 [0,2,0,0,0,0|1,1,0]=4 2325 B12R1.297 ClCC(CBr)OCc1ncco1 cee55d61008270c6f5a0742cf362be35 [0,2,0,0,0,0|1,1,0]=4 2326 B12R1.297 ClCC(CCl)OCc1ccco1 7f1ca619349981e800ec5a82b73f567b [0,2,0,0,0,0|0,1,0]=3 2327 B12R1.297 ClCC(CCl)OCc1cccs1 fcad556635591b1fda17caedfcf82bf3 [0,2,0,0,0,0|0,2,0]=4 2328 B12R1.297 ClCC(CCl)OCc1ccno1 e957131832997811d600ae0d945befb3 [0,2,0,0,0,0|1,1,0]=4 2329 B12R1.297 ClCC(CCl)OCc1ncco1 64761eb322dc1169eed471314d2775ed [0,2,0,0,0,0|1,1,0]=4 2330 B12R1.297 ClC[C@@H](CI)OCc1ccco1 dd55b270f3ce3a885b11c7f6d34e0165 [0,2,0,0,0,0|0,1,0]=3 2331 B12R1.297 ClC[C@@H](CI)OCc1cccs1 81510df8fdb606c02fe9ed4faed669ec [0,2,0,0,0,0|0,2,0]=4 2332 B12R1.297 ClC[C@@H](CI)OCc1ccno1 886a66f8c8b238a3c459caaa10d285f2 [0,2,0,0,0,0|1,1,0]=4 2333 B12R1.297 ClC[C@@H](CI)OCc1ncco1 eef3894a474928a9c95f8909555b105e [0,2,0,0,0,0|1,1,0]=4 2334 B12R1.297 ClC[C@H](CI)OCc1ccco1 f9a76bf94af08bcda90644e0ab65b99c [0,2,0,0,0,0|0,1,0]=3 2335 B12R1.297 ClC[C@H](CI)OCc1cccs1 d14231f0e672e9b251dfde70744bd32f [0,2,0,0,0,0|0,2,0]=4 2336 B12R1.297 ClC[C@H](CI)OCc1ccno1 e96c94b85cb8a530f2b0b870a77bedf5 [0,2,0,0,0,0|1,1,0]=4 2337 B12R1.297 ClC[C@H](CI)OCc1ncco1 67c6ddf829dbdd8fd34251035ed63a85 [0,2,0,0,0,0|1,1,0]=4 2338 B12R1.297 FCC(CF)NCc1ccc[nH]1 0927169eaa3f1a202bf1fb27ac826322 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.297 FCC(CF)OCc1ccco1 21866090bca09fb345937a394a5902ef [0,2,0,0,0,0|0,1,0]=3 2340 B12R1.297 FCC(CF)OCc1cccs1 79feb4d2f8cd85819da6c1cdeb53f16b [0,2,0,0,0,0|0,2,0]=4 2341 B12R1.297 FCC(CF)OCc1ccno1 c314ed39b0bd578360edc0a445e54993 [0,2,0,0,0,0|1,1,0]=4 2342 B12R1.297 FCC(CF)OCc1ncco1 d4bdca531d459297f854b20f79feaee5 [0,2,0,0,0,0|1,1,0]=4 2343 B12R1.297 OCC(CO)CNc1ccco1 b2c06b72df472825364e5bc51c09d2ba [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.297 OCC(CO)NCc1ccc[nH]1 c60c50d38cbb3494af0fa28d68b73225 [0,2,0,0,0,0|2,0,0]=4 2345 B12R1.297 OCC(CO)NCc1ccco1 6453ba9f9e8bb08966d75edaa9231cba [0,2,0,0,0,0|1,0,0]=3 2346 B12R1.297 OCC(CO)NCc1cccs1 741cdb40cd872b7a474b35bb5725b08e [0,2,0,0,0,0|1,1,0]=4 2347 B12R1.297 OCC(CO)NCc1ccno1 7fe59028496d974adc2a8efb846df5d0 [0,2,0,0,0,0|2,0,0]=4 2348 B12R1.297 OCC(CO)NCc1cnco1 df3782822ec5d1d9e8693001232f3d39 [0,2,0,0,0,0|2,0,0]=4 2349 B12R1.297 OCC(CO)NCc1ncco1 5547143cf361f165f8d64483bc64801a [0,2,0,0,0,0|2,0,0]=4 2350 B12R1.297 OCC(CO)OCc1ccc[nH]1 7928de1cd868503e612d6cedc6d28a31 [0,2,0,0,0,0|1,1,0]=4 2351 B12R1.297 OCC(CO)OCc1ccco1 e1f4bb2594993d1867f3b0267b166db6 [0,2,0,0,0,0|0,1,0]=3 2352 B12R1.297 OCC(CO)OCc1ccno1 e549cf49cac1e801a0d533f311a0ed56 [0,2,0,0,0,0|1,1,0]=4 2353 B12R1.297 OCC(CO)OCc1cnco1 3426cc853ad4014bee77cffa38d634e7 [0,2,0,0,0,0|1,1,0]=4 2354 B12R1.297 OCC(CO)OCc1ncco1 f55dac577e81f3e612686a70198de862 [0,2,0,0,0,0|1,1,0]=4 2355 B12R1.353 C#CC(C)NCc1occc1C e9dbbef2b79783a5fc1ca6d8c1e9bdca [0,2,0,0,0,0|1,0,1]=4 2356 B12R1.353 C#CC(C)OCc1occc1C e7270f91a442c2867bd7c0047f051e6d [0,2,0,0,0,0|0,1,1]=4 2357 B12R1.353 C=CC(C)NCc1occc1C d8149fcabbc07de0054370c5e5f6186c [0,2,0,0,0,0|1,0,1]=4 2358 B12R1.353 C=CC(C)OCc1occc1Br c4a56d10c66d149f1da36b0259a8e54f [0,2,0,0,0,0|0,1,1]=4 2359 B12R1.353 C=CC(C)OCc1occc1C 86e995714112e136a05c441a976daf01 [0,2,0,0,0,0|0,1,1]=4 2360 B12R1.353 CC(C=O)OCc1occc1Br 79a100c16331a0367923fe6f8d564e40 [0,2,0,0,0,0|0,1,1]=4 2361 B12R1.353 CC(CO)NCc1cccn1C 64511dc172c540bffc552ec0032164be [0,2,0,0,0,0|2,0,0]=4 2362 B12R1.353 CC(CO)NCc1sccc1Cl 30bc6fc329feb65a78d4c036e9275b81 [0,2,0,0,0,0|1,1,0]=4 2363 B12R1.353 CC(CO)NCc1sccc1F a2a89131d47f80b6e908000c01c24760 [0,2,0,0,0,0|1,1,0]=4 2364 B12R1.353 CCC(C)NCc1cccn1C 33c59063d0b7ad9ac92d99fb6174db3b [0,2,0,0,0,0|2,0,0]=4 2365 B12R1.353 CCC(C)NCc1occc1C 8078ac5cc9be9411e209572918a02e6e [0,2,0,0,0,0|1,0,0]=3 2366 B12R1.353 CCC(C)NCc1sccc1Cl 15c4aa52f82a8345ae0dbe4f87ac1d0e [0,2,0,0,0,0|1,1,0]=4 2367 B12R1.353 CCC(C)NCc1sccc1F 65000a09b026ba0186d08c34eba53ded [0,2,0,0,0,0|1,1,0]=4 2368 B12R1.353 CCC(C)OCc1cccn1C 11c28c8298d09aa88087b8f4d8e2ff68 [0,2,0,0,0,0|1,1,0]=4 2369 B12R1.353 CCC(C)OCc1occc1C 6b4f0b895aaf5ac242a2fe047bc1c312 [0,2,0,0,0,0|0,1,0]=3 2370 B12R1.353 CCC(C)OCc1ocnc1C bb4d377af282652bfa34104c09d11070 [0,2,0,0,0,0|1,1,0]=4 2371 B12R1.353 CCC(C)OCc1oncc1C 42aa7b84d1cff986c04cae96c7597c1c [0,2,0,0,0,0|1,1,0]=4 2372 B12R1.353 CCC(C)OCc1sccc1C 9e4c4891e39bb9a5f2803694ab2ab3fb [0,2,0,0,0,0|0,2,0]=4 2373 B12R1.353 CCC(C)OCc1sccc1Cl 62221089ac6ce5164eb71c89655c4467 [0,2,0,0,0,0|0,2,0]=4 2374 B12R1.353 C[C@@H](CO)NCc1cccn1C 11d875e0a53d6f8559c46ca1da388844 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.353 C[C@@H](CO)NCc1sccc1Cl f29d6eaf3affe5fab3e79d6ede08422b [0,2,0,0,0,0|1,1,0]=4 2376 B12R1.353 C[C@H](C=O)OCc1occc1Br f04e8753ca74e18a7ba3a86eb7a70493 [0,2,0,0,0,0|0,1,1]=4 2377 B12R1.353 C[C@H](CO)NCc1cccn1C b28631d0bf1a5cc8ae1b0c374cf351ac [0,2,0,0,0,0|2,0,0]=4 2378 B12R1.353 C[C@H](CO)NCc1sccc1Cl c51c204d97258b82d723132a1b59ef2e [0,2,0,0,0,0|1,1,0]=4 2379 B12R1.353 Cc1ccoc1CNC(C)C#N 219bec08aa7eb5a43ecaa37f07d9a022 [0,2,0,0,0,0|1,0,1]=4 2380 B12R1.353 Cc1ccoc1CNC(C)C=O 3a384b1d7fe520fdf9a9c35f877b39ca [0,2,0,0,0,0|1,0,1]=4 2381 B12R1.353 Cc1ccoc1CNC(C)CO d1ab76b87c628c7945e16a656e0e2238 [0,2,0,0,0,0|1,0,0]=3 2382 B12R1.353 Cc1ccoc1CN[C@@H](C)CO f062064669fe7e0c667b5c14641ce567 [0,2,0,0,0,0|1,0,0]=3 2383 B12R1.353 Cc1ccoc1CN[C@H](C)C=O ae3ce72d4df08aaa99eb795194cc5f13 [0,2,0,0,0,0|1,0,1]=4 2384 B12R1.353 Cc1ccoc1CN[C@H](C)CO 09286a9b950e4b6d52fe8b5659a890c8 [0,2,0,0,0,0|1,0,0]=3 2385 B12R1.353 Cc1ccoc1COC(C)C#N 5c59ddbefd95d0bfbb819c6b8e56fc91 [0,2,0,0,0,0|0,1,1]=4 2386 B12R1.353 Cc1ccoc1COC(C)C=O 128b7515039869329e915e48bae8ab6d [0,2,0,0,0,0|0,1,1]=4 2387 B12R1.353 Cc1ccoc1CO[C@H](C)C=O a39e32728429dc3f818a0daec2f7a4c8 [0,2,0,0,0,0|0,1,1]=4 2388 B12R1.104 CC(C)N(C)Cc1cc(cs1)Br 4c2d48f720428af6cc622ec8f2baac40 [0,2,0,0,0,0|1,1,0]=4 2389 B12R1.104 CC(C)N(C)Cc1ccc(s1)Br 5943b0f894be40cc61f62ab3261b303c [0,2,0,0,0,0|1,1,0]=4 2390 B12R1.104 CC(C)N(C)Cc1ccc(s1)Cl f2de0b24185c08dfa9f0fffaba5fe36a [0,2,0,0,0,0|1,1,0]=4 2391 B12R1.104 CC(C)N(C)Cc1coc(=O)o1 d3703871a92cf0f860fa73096355a070 [0,2,0,0,0,0|2,0,0]=4 2392 B12R1.104 Cc1ccc(o1)CN(C)C(C)C 0b124c259c73e8d3580adc56654867b4 [0,2,0,0,0,0|1,0,0]=3 2393 B12R1.104 Cc1ccc(o1)NC(C)C(C)C c56070f674dc3522ca14575b07ba30a2 [0,2,0,0,0,0|2,0,0]=4 2394 B12R1.104 Cc1ccc(o1)N[C@@H](C)C(C)C 5f63917d35bdfd0cd9a17861e4a8d813 [0,2,0,0,0,0|2,0,0]=4 2395 B12R1.104 Cc1ccc(o1)N[C@H](C)C(C)C 10aea68c31046b460306d797d1a2f07c [0,2,0,0,0,0|2,0,0]=4 2396 B12R1.104 Cc1ccc(s1)CN(C)C(C)C 5ff9e52b84069805ba88475d21ce7cdc [0,2,0,0,0,0|1,1,0]=4 2397 B12R1.104 Cc1csc(c1)CN(C)C(C)C eb85580be6f1a908d250366f92fb0823 [0,2,0,0,0,0|1,1,0]=4 2398 B12R1.120 CC(C)N(C)C(=O)c1ccco1 166c7398253de6f6adc88896bebe3df4 [0,2,0,0,0,0|1,0,1]=4 2399 B12R1.120 CC(C)N(C)C(C)c1cccs1 0b55ad554de16bee02d98c4de8e73b5f [0,2,0,0,0,0|1,1,0]=4 2400 B12R1.145 CC(C)N(C)Cc1cccn1C 11d95cd3fa9c0f3db36ac333ea848b05 [0,2,0,0,0,0|2,0,0]=4 2401 B12R1.145 Cc1ccoc1CN(C)C(C)C f8a0730c82d136737d017069d004d18a [0,2,0,0,0,0|1,0,0]=3 2402 B12R1.266 CC(Oc1ccco1)C(C)(C)O bcb629046435e7cb7398f04b6fe1714c [0,2,0,0,0,0|2,0,0]=4 2403 B12R1.266 CN(Cc1ccco1)C(C)(C)C c9230eadfb6e866026951ae76e0d9fcc [0,2,0,0,0,0|1,0,0]=3 2404 B12R1.266 CN(Cc1cccs1)C(C)(C)C 1f7af95cafef55e9841298de359bc2a4 [0,2,0,0,0,0|1,1,0]=4 2405 B12R1.266 CN(Cc1ccno1)C(C)(C)C 610cb8d6f9394cd8865ef54d608e67f4 [0,2,0,0,0,0|2,0,0]=4 2406 B12R1.266 CN(Cc1ncco1)C(C)(C)C b541a86cdd64979dee3faeeb3cb673d8 [0,2,0,0,0,0|2,0,0]=4 2407 B12R1.298 CC(C)C(C=O)Oc1ccco1 e092feed0a184bb34543c6e834cab57e [0,2,0,0,0,0|2,0,0]=4 2408 B12R1.298 CC(C)N(C=O)Cc1cccs1 0dc2fca2281b11a050fa1d6d5e4e29b0 [0,2,0,0,0,0|1,1,0]=4 2409 B12R1.298 CCN(Cc1cccs1)C(C)C 94379e3a4808c82decc3327e47273a93 [0,2,0,0,0,0|1,1,0]=4 2410 B12R1.298 CCN(Cc1ccno1)C(C)C f42cd2b7565460b985d9699a77d432de [0,2,0,0,0,0|2,0,0]=4 2411 B12R1.298 CCN(Cc1ncco1)C(C)C 502e93eea255fcf789da124e5e0c8b64 [0,2,0,0,0,0|2,0,0]=4 2412 B12R1.59 C#Cc1ccc(o1)COC(C)C 54a0027c5e4c8d223811aa646fdc9360 [0,2,0,0,0,0|0,1,0]=3 2413 B12R1.59 C#Cc1ccc(s1)COC(C)C 5c4d1379ffb521425830caa7b7c51e6a [0,2,0,0,0,0|0,2,0]=4 2414 B12R1.59 CC(C)CNc1cc(co1)C#N a07a46b3b16447316122be347c23ff86 [0,2,0,0,0,0|2,0,0]=4 2415 B12R1.59 CC(C)CNc1ccc(o1)C=O 6b885b7f0606c608dbc6c300a9ee9397 [0,2,0,0,0,0|2,0,0]=4 2416 B12R1.59 CC(C)CNc1ccc(o1)CO 80fbf566ea607271dd78f7e0ef1f78f9 [0,2,0,0,0,0|2,0,0]=4 2417 B12R1.59 CC(C)NCc1cc(co1)C#N aa6570fc7535bf2cb7073baf58b4a6a8 [0,2,0,0,0,0|1,0,0]=3 2418 B12R1.59 CC(C)NCc1cc(cs1)C#N 77cce86ee6b883b65d762ce93fbe4033 [0,2,0,0,0,0|1,1,0]=4 2419 B12R1.59 CC(C)NCc1ccc(o1)CO 1a7a1e0c1fbced3933e6d9a46a2fd58a [0,2,0,0,0,0|1,0,0]=3 2420 B12R1.59 CC(C)NCc1ccc(s1)C#N bd314438a629fa0ba7955d451bbb4c7f [0,2,0,0,0,0|1,1,0]=4 2421 B12R1.59 CC(C)OCc1cc(co1)C#N 4d2b560b05f70d831b4773891a3b4d5b [0,2,0,0,0,0|0,1,0]=3 2422 B12R1.59 CC(C)OCc1cc(cs1)C#N f54378b94e47016efed42ec38a292f3f [0,2,0,0,0,0|0,2,0]=4 2423 B12R1.59 CC(C)OCc1ccc([nH]1)C=O d212016a678c21947fa570b93e0ffba1 [0,2,0,0,0,0|1,1,0]=4 2424 B12R1.59 CC(C)OCc1ccc(o1)C#N 498f938ff104f15c081c1506e4279402 [0,2,0,0,0,0|0,1,0]=3 2425 B12R1.59 CC(C)OCc1ccc(o1)C=O c0b3e0233739dc203516e1a47d9fefa6 [0,2,0,0,0,0|0,1,0]=3 2426 B12R1.59 CC(C)OCc1ccc(s1)C#N 9050d1b6a664a18ddd817b8f9cda0e0b [0,2,0,0,0,0|0,2,0]=4 2427 B12R1.59 CC(C)OCc1ccc(s1)C=O 93473eb3c0d30ce75c8a2fb845fd0ca4 [0,2,0,0,0,0|0,2,0]=4 2428 B12R1.59 CCc1cc(on1)CNC(C)C 48d9e4cf296682921671c7a466fb69cc [0,2,0,0,0,0|2,0,0]=4 2429 B12R1.59 CCc1cc(on1)COC(C)C f060e0285461911f7bc7eca537f69f9e [0,2,0,0,0,0|1,1,0]=4 2430 B12R1.59 CCc1ccc(o1)NCC(C)C a9f2495b31f948fd22785b7d281a0316 [0,2,0,0,0,0|2,0,0]=4 2431 B12R1.59 CCc1ccc(s1)COC(C)C 2848514586be1f41464ca9d18b336be8 [0,2,0,0,0,0|0,2,0]=4 2432 B12R1.59 CCc1ncc(o1)COC(C)C 8de7e1c7a395c9e05e13f6cfec948fd3 [0,2,0,0,0,0|1,1,0]=4 2433 B12R1.59 COc1ncc(o1)COC(C)C 4f057c9f002903265b64150633a1e1b2 [0,2,0,0,0,0|1,1,0]=4 2434 B12R1.103 CC(C)N[C@@H](C)c1cc(cs1)Br 25a5ea0190464ae9517951a757af9032 [0,2,0,0,0,0|1,1,0]=4 2435 B12R1.103 CC(C)N[C@H](C)c1cc(cs1)Br e010dbb5060de8e7dc0976486dcff4e3 [0,2,0,0,0,0|1,1,0]=4 2436 B12R1.103 CC(C)OC(C)c1cc(cs1)Br 69aa26ed71fcae811a869138a9b7b4f6 [0,2,0,0,0,0|0,2,0]=4 2437 B12R1.103 CC(C)O[C@@H](C)c1cc(cs1)Br aba484c136bb1c15b1f96d25aa3c41ef [0,2,0,0,0,0|0,2,0]=4 2438 B12R1.103 CC(C)O[C@H](C)c1cc(cs1)Br 386dbcc3cdbcab33c682dc75e37ddcea [0,2,0,0,0,0|0,2,0]=4 2439 B12R1.103 Cc1cc(on1)C(C)NC(C)C a422fedfc84d2b832d295aae72daec53 [0,2,0,0,0,0|2,0,0]=4 2440 B12R1.103 Cc1ccc(o1)C(C)NC(C)C c4d745e8e213ca24a64874811fc63c0a [0,2,0,0,0,0|1,0,0]=3 2441 B12R1.103 Cc1ccc(o1)N(C)CC(C)C 62da261c89a4ac410f67a7194dc141ea [0,2,0,0,0,0|2,0,0]=4 2442 B12R1.103 Cc1ccc(o1)[C@@H](C)NC(C)C a87b4273a4e25085a842f300c15478ad [0,2,0,0,0,0|1,0,0]=3 2443 B12R1.103 Cc1ccc(s1)[C@@H](C)OC(C)C f53e173468a2de17d83602dc852054e2 [0,2,0,0,0,0|0,2,0]=4 2444 B12R1.103 Cc1ccc(s1)[C@H](C)NC(C)C 6e8b3aeb5893c8d18078c917a9bd5e51 [0,2,0,0,0,0|1,1,0]=4 2445 B12R1.110 Cc1nc(oc1C)CNC(C)C b88eb6c11fd46c769514663dea73ae32 [0,2,0,0,0,0|2,0,0]=4 2446 B12R1.110 Cc1oc(nc1Br)CNC(C)C b093877a417288b87afcdc68209c0998 [0,2,0,0,0,0|2,0,0]=4 2447 B12R1.110 Cc1oc(nc1Br)COC(C)C b64e06442dfe733d004a248e6277a16b [0,2,0,0,0,0|1,1,0]=4 2448 B12R1.836 CC(C)(C)NCc1cc(cs1)Br b3b9ba70acb001efca31880a8c17d5d9 [0,2,0,0,0,0|1,1,0]=4 2449 B12R1.836 CC(C)(C)NCc1cc(no1)Br 1a54bd3d07182ebc874651f867bdff4c [0,2,0,0,0,0|2,0,0]=4 2450 B12R1.836 CC(C)(C)NCc1ccc(s1)Br 97c3cc64403abde5dcb2149911cc4b37 [0,2,0,0,0,0|1,1,0]=4 2451 B12R1.836 CC(C)(C)NCc1ccc(s1)Cl 32be35f43cc9cec7e797754b0754239a [0,2,0,0,0,0|1,1,0]=4 2452 B12R1.836 CC(C)(C)NCc1coc(=O)o1 79bd2c0de5298d21b56fa16033da1c68 [0,2,0,0,0,0|2,0,0]=4 2453 B12R1.836 CC(C)(C)NCc1ncc(o1)Br 24b965049b94251f336ce0e5a3853e87 [0,2,0,0,0,0|2,0,0]=4 2454 B12R1.836 Cc1cc(on1)CNC(C)(C)C 5841afbf2062de1f4fd07a46d889b990 [0,2,0,0,0,0|2,0,0]=4 2455 B12R1.836 Cc1ccc(o1)NCC(C)(C)C ef3df74681a82d21dd3d67ab72b246f5 [0,2,0,0,0,0|2,0,0]=4 2456 B12R1.836 Cc1ccc(o1)NCC(C)(C)O 0a7cae9a9e603cffb20dab16189e9c71 [0,2,0,0,0,0|2,0,0]=4 2457 B12R1.836 Cc1coc(c1)NCC(C)(C)O ab87faee7f4d2cd1d6153dda38dce042 [0,2,0,0,0,0|2,0,0]=4 2458 B12R1.861 Cc1nc(c(o1)CNC(C)C)C b056ea697f4f3812f3f8ad205b81c187 [0,2,0,0,0,0|2,0,0]=4 2459 B12R1.861 Cc1nc(c(o1)COC(C)C)C 986d80c52f0b64a11293cd13c6c3caaf [0,2,0,0,0,0|1,1,0]=4 2460 B12R1.861 Cc1oc(=O)oc1COC(C)C a5dd1a77e86fcba4154cb8fba9adc6e4 [0,2,0,0,0,0|1,1,0]=4 2461 B12R1.870 Cc1c(noc1COC(C)C)Br 2faf474d2951b5aef94c4001929c0915 [0,2,0,0,0,0|1,1,0]=4 2462 B12R1.870 Cc1ccc(n1C)CNC(C)C dae57b069d8d5d59e4128743c19deed2 [0,2,0,0,0,0|2,0,0]=4 2463 B12R1.870 Cc1csc(c1Cl)COC(C)C ca390dcc79e7b9b70cb1dfbf46c4757c [0,2,0,0,0,0|0,2,0]=4 2464 B12R1.870 Cc1noc(c1I)COC(C)C 5e0372ad5bcd899b24ebc523656a5277 [0,2,0,0,0,0|1,1,0]=4 2465 B12R1.259 CC(C)NC(C)(C)c1cccs1 ece967d2274aca53c9a97b3cd9c1fb6e [0,2,0,0,0,0|1,1,0]=4 2466 B12R1.265 CC(C)(C)NC(=O)c1ccco1 f2cdedf9e74652b03262a09a34d90932 [0,2,0,0,0,0|1,0,1]=4 2467 B12R1.476 CCC(NC(C)C)c1ccco1 adf3fa1b58ec1b779ead70fb0d9e14c2 [0,2,0,0,0,0|1,0,0]=3 2468 B12R1.476 CCC(NC(C)C)c1cccs1 3f880d848917ea9d6f73a942b3779461 [0,2,0,0,0,0|1,1,0]=4 2469 B12R1.476 CCC(OC(C)C)c1ccco1 409014c224b25cf7d28ed8aa1bf8d368 [0,2,0,0,0,0|0,1,0]=3 2470 B12R1.81 CC(C)CNc1occc1C#N 918c7fbd9f76e4dce65554b905550a26 [0,2,0,0,0,0|2,0,0]=4 2471 B12R1.81 COc1ccsc1CNC(C)C cf7f799cd84dd5099e19d4607acb17e1 [0,2,0,0,0,0|1,1,0]=4 2472 B10R1.177 C/C=C/C=C/COC1CC1 5c05973d75bb24ca00604531093c8de4 [0,0,1,1,0,0|1,1,0]=4 2473 B10R1.177 CC=CC=CCOC1CC1 15ba2c3acdf55f16ebfa0709d613ba12 [0,0,1,1,0,0|1,1,0]=4 2474 B10R1.138 C=COC(=O)CNC1CC1 6eeb249e2b788b4ffae1346b9089fdb1 [0,0,1,1,0,0|2,0,0]=4 2475 B10R1.138 C=COC(=O)COC1CC1 00fcb2b548d6bf5ac8b4521461864612 [0,0,1,1,0,0|1,1,0]=4 2476 B10R2.193 c1coc(c1)OC2CC2 8985027cbca38de40f7977ffc4fa9731 [1,0,0,1,0,0|2,0,0]=4 2477 B12R2.2057 c1cc(ccn1)COC2CC2 da3247f4bbaea1ae4c65fbee8045d76d [0,0,0,1,0,1|1,1,0]=4 2478 B12R2.2057 c1cc(ncn1)CNC2CC2 607a93e9573f0955e8a4018ddea58dfa [0,0,0,1,0,1|2,0,0]=4 2479 B12R2.2057 c1cc(ncn1)COC2CC2 81da20e8bc039a37530fbd5d1424e639 [0,0,0,1,0,1|1,1,0]=4 2480 B12R2.2057 c1ccc(cc1)CNC2CC2 0722218fcfefdcb8b8f0e8dc60326858 [0,0,0,1,0,1|2,0,0]=4 2481 B12R2.2057 c1ccc(cc1)COC2CC2 4f6efb1abdd284b3ec5fbe724b10a332 [0,0,0,1,0,1|1,1,0]=4 2482 B12R2.2057 c1ccc(nc1)CNC2CC2 072625a4614190be9cbf10388fa5861b [0,0,0,1,0,1|2,0,0]=4 2483 B12R2.2057 c1ccc(nc1)COC2CC2 abde439d2a0ddaaa61aa7afca3b1da4d [0,0,0,1,0,1|1,1,0]=4 2484 B12R2.2057 c1cnc(cn1)COC2CC2 fdc47d726f6cd28e1efa561853273f47 [0,0,0,1,0,1|1,1,0]=4 2485 B12R2.2057 c1cnc(nc1)CNC2CC2 7038fd05b2ef00331cb1adfd11eb9677 [0,0,0,1,0,1|2,0,0]=4 2486 B12R2.2057 c1cnc(nc1)COC2CC2 e4bd87d14e894bedbf03d18ff8ef7f2f [0,0,0,1,0,1|1,1,0]=4 2487 B12R2.2057 c1cncc(c1)CNC2CC2 de74061854556603c3b7f6c7b31bcca1 [0,0,0,1,0,1|2,0,0]=4 2488 B12R2.2057 c1cncc(c1)COC2CC2 4f1f4bbe9c5cccaf786a2469b1a1b939 [0,0,0,1,0,1|1,1,0]=4 2489 B12R2.2057 c1cnnc(c1)CNC2CC2 514c968ed269ecf84ec95620d443c6f3 [0,0,0,1,0,1|2,0,0]=4 2490 B12R2.2057 c1cnnc(c1)COC2CC2 5647e20affbc8a5d9e818133ea4a6290 [0,0,0,1,0,1|1,1,0]=4 2491 B12R2.20 CC1CC1NCc2ccco2 d45a74e4af0e9cd75efd4ea61f9362ca [0,0,0,1,0,1|1,0,0]=3 2492 B12R2.20 CC1CC1NCc2cccs2 642a1de46ec93d92337d088e98f33c6e [0,0,0,1,0,1|1,1,0]=4 2493 B12R2.20 CC1CC1NCc2ccno2 7c124b4a39d66dc09dfc22deaa06f87b [0,0,0,1,0,1|2,0,0]=4 2494 B12R2.20 CC1CC1NCc2ncco2 06ecb622690a46b2da8984f4c95d0389 [0,0,0,1,0,1|2,0,0]=4 2495 B12R2.20 F[C@@H]1C[C@@H]1NCc2ccco2 c71661015d4c156fc3598638b29cbe8e [0,0,0,1,0,1|2,0,0]=4 2496 B12R2.20 F[C@@H]1C[C@H]1NCc2ccco2 0461497ed8ed0986646d8bf9a2e717b9 [0,0,0,1,0,1|2,0,0]=4 2497 B12R2.20 F[C@H]1C[C@@H]1NCc2ccco2 bc8b1a5614a0f44e8b9fada3aa46a8d2 [0,0,0,1,0,1|2,0,0]=4 2498 B12R2.136 OC1CN(C1)Cc2ccco2 fd5ba5f43edc58e5bbc478a693cd1ea4 [0,0,0,1,0,1|2,0,0]=4 2499 B12R2.2383 c1c[nH]c(c1)CCNC2CC2 085461c9ee3f9f211ef046c4a1f56653 [0,0,0,1,0,1|2,0,0]=4 2500 B12R2.2383 c1c[nH]c(c1)CCOC2CC2 f1e2b7c0c7d48d3ec6ce14dc1d4ac038 [0,0,0,1,0,1|1,1,0]=4 2501 B12R2.2383 c1c[nH]c(c1)CNCC2CC2 9f76742cccfeab7c4dbed0a7c48f7216 [0,0,0,1,0,1|2,0,0]=4 2502 B12R2.2383 c1c[nH]c(c1)COCC2CC2 0de49672ab3769410027d88251d48dc4 [0,0,0,1,0,1|1,1,0]=4 2503 B12R2.2383 c1cc(on1)CNCC2CC2 8c6f43793fa0449999aa40d26336169e [0,0,0,1,0,1|2,0,0]=4 2504 B12R2.2383 c1cc(on1)COCC2CC2 eb216f6a4fd4c027d0a92422c0aa1283 [0,0,0,1,0,1|1,1,0]=4 2505 B12R2.2383 c1cc(on1)NCCC2CC2 094b21c01c48e960b106b80e773c784b [0,0,0,1,0,1|2,0,0]=4 2506 B12R2.2383 c1coc(c1)CCOC2CC2 2cd664c9bb31ceb8871d64e6d04c4aab [0,0,0,1,0,1|0,1,0]=3 2507 B12R2.2383 c1coc(c1)CNCC2CC2 23f8cd3649ab9405d111ba79dc780d91 [0,0,0,1,0,1|1,0,0]=3 2508 B12R2.2383 c1coc(c1)COCC2CC2 56f7d114961a8670316897e8e916c7de [0,0,0,1,0,1|0,1,0]=3 2509 B12R2.2383 c1coc(c1)NCCN2CC2 da7a92213765218ab4a79f3bbb77e170 [0,0,0,1,0,1|2,0,0]=4 2510 B12R2.2383 c1coc(c1)OCCC2CC2 f3e91f98c8d6f6a9f8f8d4fd4dc547f0 [0,0,0,1,0,1|1,0,0]=3 2511 B12R2.2383 c1coc(n1)CNCC2CC2 fc24cc615619377bec081352555ef889 [0,0,0,1,0,1|2,0,0]=4 2512 B12R2.2383 c1coc(n1)COCC2CC2 a0d47df85f3e8bd2a09d021c2502bdf5 [0,0,0,1,0,1|1,1,0]=4 2513 B12R2.2383 c1coc(n1)NCCC2CC2 feeb8cde782140d41c63991f7a98c8d4 [0,0,0,1,0,1|2,0,0]=4 2514 B12R2.2383 c1csc(c1)CCNC2CC2 74d0676407356f6c5d126cfb0566dc3c [0,0,0,1,0,1|1,1,0]=4 2515 B12R2.2383 c1csc(c1)CCOC2CC2 2f117fa75e82ed1bca217380d3b1d19a [0,0,0,1,0,1|0,2,0]=4 2516 B12R2.2383 c1csc(c1)CNCC2CC2 a78286e3774727634260d8451b106a27 [0,0,0,1,0,1|1,1,0]=4 2517 B12R2.2383 c1csc(c1)COCC2CC2 d3bbb60013b9330922d63c5629919a22 [0,0,0,1,0,1|0,2,0]=4 2518 B12R2.2383 c1csc(c1)NCCC2CC2 605779211afc2c86c45111dca04e8286 [0,0,0,1,0,1|1,1,0]=4 2519 B12R2.2383 c1csc(c1)OCCC2CC2 70be8cd47151f834b3b490d941204790 [0,0,0,1,0,1|1,1,0]=4 2520 B12R2.2383 c1ncc(o1)CNCC2CC2 e3d7f8f1602e8c1b7d43b2b8ef62a2e7 [0,0,0,1,0,1|2,0,0]=4 2521 B12R2.2383 c1ncc(o1)COCC2CC2 f6278b90541579920a8f9f6c52be2a44 [0,0,0,1,0,1|1,1,0]=4 2522 B12R2.2401 CC1(CC1Nc2ccco2)C 56cc5cf3490dceabba618a8c7d3e06d4 [0,0,0,1,0,1|1,0,0]=3 2523 B12R2.2401 CC1(CC1Nc2ccno2)C 8082b7d23e7d6d3b4395441d345b502a [0,0,0,1,0,1|2,0,0]=4 2524 B12R2.2401 CC1(CC1Nc2ncco2)C 6e4463009afe97752c82ac9ec218c191 [0,0,0,1,0,1|2,0,0]=4 2525 B12R2.2401 CC1(CC1Oc2ccco2)C 82ded9d0af84e22b011379c28361f949 [0,0,0,1,0,1|1,0,0]=3 2526 B12R2.2401 CC1(CN1Cc2ccco2)C 16ebe1398da7587036b876ba3e201fef [0,0,0,1,0,1|1,0,0]=3 2527 B12R2.2401 CC1(CN1Cc2cccs2)C 3d36a1efbb4c09962244818994502fd0 [0,0,0,1,0,1|1,1,0]=4 2528 B12R2.2401 CC1(CN1Cc2ccno2)C 5d9bbe40beb1e683b3b78ecefc7dbd60 [0,0,0,1,0,1|2,0,0]=4 2529 B12R2.2401 CC1(CN1Cc2ncco2)C 9732a4a8889c7fd0eb31a826e3bcd305 [0,0,0,1,0,1|2,0,0]=4 2530 B12R2.2401 CC1(C[C@@H]1Nc2ccco2)C 27d56a9b4afb9c16eda0b0e6222b2937 [0,0,0,1,0,1|1,0,0]=3 2531 B12R2.2401 CC1(C[C@H]1Nc2ccco2)C 3fbce3f77cda6bf28a886a1328e61814 [0,0,0,1,0,1|1,0,0]=3 2532 B12R2.12 CC1OCC1Nc2ccco2 b52dc9dc99b7025047fb669a58d1941f [0,1,0,1,0,0|2,0,0]=4 2533 B12R2.33 CO[C@H]1C[C@H]1Nc2ccco2 f95adae03f51971281276cbac81f0234 [0,1,0,1,0,0|2,0,0]=4 2534 B12R2.44 CCN1CCc2occc2C1 9c9ad071d2cedb7f6173eda556d7257b [0,1,0,1,0,0|2,0,0]=4 2535 B12R2.44 FCN1CCc2occc2C1 190b575bddbf2b73062f8369f4f7b390 [0,1,0,1,0,0|2,0,0]=4 2536 B12R2.44 OCN1CCc2occc2C1 c27f372b0de6bfd3f6ad22f851e1ad92 [0,1,0,1,0,0|2,0,0]=4 2537 B12R2.2056 c1c[nH]c(c1)CNC2CCC2 2cb1c8aee424f325cf0c629bf0240089 [0,1,0,1,0,0|2,0,0]=4 2538 B12R2.2056 c1c[nH]c(c1)CNC2COC2 02506bb6a9207291337de46322e224b4 [0,1,0,1,0,0|2,0,0]=4 2539 B12R2.2056 c1c[nH]c(c1)COC2CCC2 315c943cca824274b5fb9c7b3b9e9cee [0,1,0,1,0,0|1,1,0]=4 2540 B12R2.2056 c1c[nH]c(c1)COC2COC2 ed6134dc213bd48d885d07dd8b52a17a [0,1,0,1,0,0|1,1,0]=4 2541 B12R2.2056 c1cc(on1)CNC2CCC2 b1a0fc04729b116a9baea2372b318358 [0,1,0,1,0,0|2,0,0]=4 2542 B12R2.2056 c1cc(on1)CNC2COC2 0d7660872f4c8dc7e5a2c505ee334814 [0,1,0,1,0,0|2,0,0]=4 2543 B12R2.2056 c1cc(on1)COC2CCC2 736f66ef2b5b8f27cfa5edfcff22e6cf [0,1,0,1,0,0|1,1,0]=4 2544 B12R2.2056 c1cc(on1)COC2COC2 2f804aaa316333880760084819ef75d9 [0,1,0,1,0,0|1,1,0]=4 2545 B12R2.2056 c1cc(on1)COC2CSC2 82b40995359a96ae59a2d9144aa63fde [0,1,0,1,0,0|1,1,0]=4 2546 B12R2.2056 c1coc(c1)CNC2CCC2 7c1c7539d20e33a0a3b7e453fec7ad54 [0,1,0,1,0,0|1,0,0]=3 2547 B12R2.2056 c1coc(c1)COC2CCC2 7c5af456fcf95a0048391cd8f8bce79c [0,1,0,1,0,0|0,1,0]=3 2548 B12R2.2056 c1coc(c1)COC2COC2 cfce65fbe6dd90fb102f92a24f7e3e5c [0,1,0,1,0,0|0,1,0]=3 2549 B12R2.2056 c1coc(c1)COC2CSC2 2cdd96f672432ba291802bd83f2bc6a3 [0,1,0,1,0,0|0,1,0]=3 2550 B12R2.2056 c1coc(c1)NCC2CCO2 71fd13e22149d53135e9531bc63c140e [0,1,0,1,0,0|2,0,0]=4 2551 B12R2.2056 c1coc(c1)NC[C@@H]2CCO2 0b4d241410ba6b96f79360291986655c [0,1,0,1,0,0|2,0,0]=4 2552 B12R2.2056 c1coc(c1)NC[C@H]2CCO2 8fd68d31835683de700ce581787a85a3 [0,1,0,1,0,0|2,0,0]=4 2553 B12R2.2056 c1coc(c1)OCC2CCC2 d44e65a00edd0dc994123e5698cc000a [0,1,0,1,0,0|2,0,0]=4 2554 B12R2.2056 c1coc(c1)OCC2CCO2 711d35753cd9e1412a72a9d3a03457e9 [0,1,0,1,0,0|2,0,0]=4 2555 B12R2.2056 c1coc(c1)OCC2COC2 490b0fa5201a16476fb8ae895a637f2c [0,1,0,1,0,0|2,0,0]=4 2556 B12R2.2056 c1coc(c1)OC[C@@H]2CCO2 c2d7e3dcd1647a5072d8e08fe6ea1fcf [0,1,0,1,0,0|2,0,0]=4 2557 B12R2.2056 c1coc(c1)OC[C@H]2CCO2 a42e99319f30384af4a6f801858caf82 [0,1,0,1,0,0|2,0,0]=4 2558 B12R2.2056 c1coc(n1)CNC2CCC2 099729f9960e0ebbd6b452fab0307c17 [0,1,0,1,0,0|2,0,0]=4 2559 B12R2.2056 c1coc(n1)CNC2COC2 493b5af0e37f4cd878f0ca34eea61512 [0,1,0,1,0,0|2,0,0]=4 2560 B12R2.2056 c1coc(n1)COC2CCC2 c12b0ab7d867e3991cb0f7fc4b1bc468 [0,1,0,1,0,0|1,1,0]=4 2561 B12R2.2056 c1coc(n1)COC2COC2 3b59c133a478455e04e93b34f73cb3d9 [0,1,0,1,0,0|1,1,0]=4 2562 B12R2.2056 c1coc(n1)COC2CSC2 ea516563585c5a33855e38d46ee8599b [0,1,0,1,0,0|1,1,0]=4 2563 B12R2.2056 c1csc(c1)CNC2CCC2 bc379fd773186eeab384b0dabeb74bcf [0,1,0,1,0,0|1,1,0]=4 2564 B12R2.2056 c1csc(c1)CNC2COC2 a61aff1bb7bac95f692dd8b7545f6a17 [0,1,0,1,0,0|1,1,0]=4 2565 B12R2.2056 c1csc(c1)COC2CCC2 1aba08322106838d1f8192d61099c293 [0,1,0,1,0,0|0,2,0]=4 2566 B12R2.2056 c1csc(c1)COC2COC2 1bc6f130e5187d8fe6e44cbd64974160 [0,1,0,1,0,0|0,2,0]=4 2567 B12R2.2056 c1csc(c1)COC2CSC2 bc20831f92e2450a21f2a2ec3b92c4e6 [0,1,0,1,0,0|0,2,0]=4 2568 B12R2.2056 c1ncc(o1)CNC2CCC2 10d69dc4a016d2f041c90713d8e80094 [0,1,0,1,0,0|2,0,0]=4 2569 B12R2.2056 c1ncc(o1)COC2CCC2 04c27e0899887fa0cfd92706e65c5768 [0,1,0,1,0,0|1,1,0]=4 2570 B12R2.2399 CC1(CC1)COc2ccco2 32096ce473c39ebf4546fe5eaccc5814 [0,1,0,1,0,0|2,0,0]=4 2571 B12R2.2399 CC1(CC1)NCc2ccco2 5e69360420b414cd30e162e623be4329 [0,1,0,1,0,0|1,0,0]=3 2572 B12R2.2399 CC1(CC1)NCc2cccs2 f7d68df2bea6a32acf5fff2ec8c899ba [0,1,0,1,0,0|1,1,0]=4 2573 B12R2.2399 CC1(CC1)NCc2ccno2 06ebc97d60afe9c398e2d2575b708555 [0,1,0,1,0,0|2,0,0]=4 2574 B12R2.2399 CC1(CC1)NCc2ncco2 eb49a8ca85743195d02bdbd46840ea2e [0,1,0,1,0,0|2,0,0]=4 2575 B12R2.2399 FC1(CC1)CNc2ccco2 fd6173434b4bbe1adc27141761262fc2 [0,1,0,1,0,0|2,0,0]=4 2576 B12R2.2399 FC1(CC1)COc2ccco2 8d36c1c38add46eaf00f458a5a9a9bbb [0,1,0,1,0,0|2,0,0]=4 2577 B12R2.1423 CC(Oc1ccco1)C2CC2 092e6ee6ec273e331ff9e37d8d5fb31d [0,1,0,1,0,0|2,0,0]=4 2578 B12R2.1423 CN(Cc1ccc[nH]1)C2CC2 5e2cce23ea8d51c7fddf0f16c77dde8c [0,1,0,1,0,0|2,0,0]=4 2579 B12R2.1423 CN(Cc1cccs1)C2CC2 9cb54ae90c5a687d69354672652f2927 [0,1,0,1,0,0|1,1,0]=4 2580 B12R2.1423 CN(Cc1ccno1)C2CC2 2b3309faedef82c29e85198d4fb713ac [0,1,0,1,0,0|2,0,0]=4 2581 B12R2.1423 CN(Cc1ncco1)C2CC2 826c16dbee8b74b8a373161842a02a8e [0,1,0,1,0,0|2,0,0]=4 2582 B12R2.1423 C[C@@H](Nc1ccco1)C2CC2 ccc555b52a0f4b676cf7f64f55609fac [0,1,0,1,0,0|2,0,0]=4 2583 B12R2.1423 C[C@H](Nc1ccco1)C2CC2 4723060b3bc7501cdb49b696eb8240fe [0,1,0,1,0,0|2,0,0]=4 2584 B12R2.78 Cc1ccc(o1)NC2CC2C 4486dc6e3e4eef4188ec881262cbf13a [0,1,0,1,0,0|2,0,0]=4 2585 B12R2.2298 Brc1c[nH]c(c1)CNC2CC2 48a0bc998021a48eb35734cb6f66a988 [0,1,0,1,0,0|2,0,0]=4 2586 B12R2.2298 Brc1cc(on1)CNC2CC2 0a6e5851bf7f49557423488307558d76 [0,1,0,1,0,0|2,0,0]=4 2587 B12R2.2298 Brc1cc(on1)COC2CC2 29fd6d6da6b51f82f93b13db8021d7f7 [0,1,0,1,0,0|1,1,0]=4 2588 B12R2.2298 Brc1ccc(o1)CNC2CC2 163a0649f63fd69f9512a0d2c283946c [0,1,0,1,0,0|1,0,0]=3 2589 B12R2.2298 Brc1ccc(o1)COC2CC2 aff445df9628054f388518ed08e4198a [0,1,0,1,0,0|0,1,0]=3 2590 B12R2.2298 Brc1ccc(s1)CNC2CC2 736745ccf6b50203c37cc09373fb6ffb [0,1,0,1,0,0|1,1,0]=4 2591 B12R2.2298 Brc1ccc(s1)COC2CC2 67349f09387064f330af0ce650970541 [0,1,0,1,0,0|0,2,0]=4 2592 B12R2.2298 Brc1cnc(o1)CNC2CC2 bd84f868d45f5a1c70bbe9dfe2ab3585 [0,1,0,1,0,0|2,0,0]=4 2593 B12R2.2298 Brc1cnc(o1)COC2CC2 866300c41a3438e1f7e9a016d5921b9c [0,1,0,1,0,0|1,1,0]=4 2594 B12R2.2298 Brc1coc(c1)COC2CC2 9943713a9ed39a0272280ff4202e706c [0,1,0,1,0,0|0,1,0]=3 2595 B12R2.2298 Brc1coc(n1)COC2CC2 4357954eca39ea12543620177d7df9f6 [0,1,0,1,0,0|1,1,0]=4 2596 B12R2.2298 Brc1csc(c1)CNC2CC2 531f5fa95e01ad3558dd71beab1acd0e [0,1,0,1,0,0|1,1,0]=4 2597 B12R2.2298 Brc1csc(c1)COC2CC2 cfbdc3c79b260d8268cc3b59daf333a6 [0,1,0,1,0,0|0,2,0]=4 2598 B12R2.2298 Cc1cc(on1)CNC2CC2 6c81912f03351fd7671f209706079a22 [0,1,0,1,0,0|2,0,0]=4 2599 B12R2.2298 Cc1cc(on1)COC2CC2 2017c0e22de1b1e9c43e0e654f1e1388 [0,1,0,1,0,0|1,1,0]=4 2600 B12R2.2298 Cc1ccc(o1)CNC2CC2 4c760405a18a136b21ed419882b786b9 [0,1,0,1,0,0|1,0,0]=3 2601 B12R2.2298 Cc1ccc(o1)COC2CC2 9f49e8f82fa09513cdc1b111fc1e483e [0,1,0,1,0,0|0,1,0]=3 2602 B12R2.2298 Cc1ccc(o1)NCC2CC2 990ebb34b7b479aeb15084d307b41467 [0,1,0,1,0,0|2,0,0]=4 2603 B12R2.2298 Cc1ccc(s1)COC2CC2 1e5ee2182eb2d3feba7f3498a2a324da [0,1,0,1,0,0|0,2,0]=4 2604 B12R2.2298 Cc1cnc(o1)COC2CC2 6a5cc5b26d468225934402518b55d9f0 [0,1,0,1,0,0|1,1,0]=4 2605 B12R2.2298 Cc1csc(c1)COC2CC2 657b845ded48e74dfa446a7cc99e379b [0,1,0,1,0,0|0,2,0]=4 2606 B12R2.2298 Cc1ncc(o1)COC2CC2 5e3cbd0c92b8aca7b27820dc3215d921 [0,1,0,1,0,0|1,1,0]=4 2607 B12R2.2298 Clc1ccc(s1)CNC2CC2 75d0ae3820266c07d9e6c9077be53a4e [0,1,0,1,0,0|1,1,0]=4 2608 B12R2.2298 Clc1ccc(s1)COC2CC2 9f36cfc828457d529486df9c2f347f91 [0,1,0,1,0,0|0,2,0]=4 2609 B12R2.2298 Clc1csc(c1)COC2CC2 c21c5cca051a98a5b64bc678b16424e8 [0,1,0,1,0,0|0,2,0]=4 2610 B12R2.2298 Fc1ccc(s1)COC2CC2 061ee1a6728087873ba543f1d8252cb1 [0,1,0,1,0,0|0,2,0]=4 2611 B12R2.2298 O=C1C=CC(O1)COC2CC2 5184acab0660fed4b0f645486e9cbf11 [0,1,0,1,0,0|0,1,1]=4 2612 B12R2.2298 O=C1C=C[C@H](O1)COC2CC2 3f65af40fbb7661b2de534346184f662 [0,1,0,1,0,0|0,1,1]=4 2613 B12R2.2298 O=c1occ(o1)CNC2CC2 f23fdbb65ae7adc66c7e75256a89a907 [0,1,0,1,0,0|2,0,0]=4 2614 B12R2.2298 O=c1occ(o1)COC2CC2 ac569c3997523fef69ba1afb510a3a0c [0,1,0,1,0,0|1,1,0]=4 2615 B12R2.2074 O=C(NC1CC1)c2ccco2 b9a16304db843f7b4241c371a07368e1 [0,1,0,1,0,0|1,0,1]=4 2616 B12R2.466 Brc1ccoc1COC2CC2 009efeaa1197e546d90ffc02e29ce36f [0,1,0,1,0,0|0,1,0]=3 2617 B12R2.466 Cc1ccoc1CNC2CC2 2487e4472b35450c10ffe1af3ceab1ee [0,1,0,1,0,0|1,0,0]=3 2618 B12R2.466 Cc1ccoc1COC2CC2 a4e8902a406683a88e15f3200fcbb6c3 [0,1,0,1,0,0|0,1,0]=3 2619 B12R2.466 Cc1ccsc1COC2CC2 a873bdfb38ea8bfea30359f9f53dc0a8 [0,1,0,1,0,0|0,2,0]=4 2620 B12R2.466 Cc1cnoc1COC2CC2 6cdc0bf0fe2949cf3784f377bfca3985 [0,1,0,1,0,0|1,1,0]=4 2621 B12R2.466 Cc1ncoc1COC2CC2 59c9d2374e980e3d6468b54f22c00c38 [0,1,0,1,0,0|1,1,0]=4 2622 B12R2.466 Clc1ccsc1CNC2CC2 426967e983f89cdaeb6cd6a1941a946f [0,1,0,1,0,0|1,1,0]=4 2623 B12R2.466 Clc1ccsc1COC2CC2 71fb24714ff822113495320dbc5d2db9 [0,1,0,1,0,0|0,2,0]=4 2624 B12R2.466 Cn1cccc1CNC2CC2 e37e410147b6c10b236621ea8cb36ce3 [0,1,0,1,0,0|2,0,0]=4 2625 B12R2.466 Cn1cccc1COC2CC2 790f064e3715e44d37a40b28f154b36c [0,1,0,1,0,0|1,1,0]=4 2626 B12R2.466 Fc1ccsc1COC2CC2 1850d6528a0aaefd13b5d8e11b516be8 [0,1,0,1,0,0|0,2,0]=4 2627 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,0,0,0,0,1|2,0,0]=4 2628 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [1,0,0,0,0,1|2,0,0]=4 2629 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [1,0,0,0,0,1|2,0,0]=4 2630 B10R1.17 CCNCc1cccnn1 d81bd9bf1bc516576c473bbc4cf064a6 [1,0,0,0,0,1|2,0,0]=4 2631 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [1,0,0,0,0,1|2,0,0]=4 2632 B10R1.17 CCNCc1ccncn1 ae6a093ba5aef71c0ed8d67651e0dd26 [1,0,0,0,0,1|2,0,0]=4 2633 B10R1.17 CCNCc1cnccn1 e42a4917d2a6a9dffed5bdafd4c5a5d6 [1,0,0,0,0,1|2,0,0]=4 2634 B10R1.17 CCNCc1ncccn1 7e64da8f6dedc74d9803d8b0ac5afe0e [1,0,0,0,0,1|2,0,0]=4 2635 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,0,0,0,0,1|1,1,0]=4 2636 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [1,0,0,0,0,1|1,1,0]=4 2637 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [1,0,0,0,0,1|1,1,0]=4 2638 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [1,0,0,0,0,1|1,1,0]=4 2639 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [1,0,0,0,0,1|1,1,0]=4 2640 B10R1.17 CCOCc1ccncn1 d55d0b80fa8d405bad8866668c0f9fa7 [1,0,0,0,0,1|1,1,0]=4 2641 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [1,0,0,0,0,1|1,1,0]=4 2642 B10R1.17 CCOCc1ncccn1 ba95357c7224be2db8f523f6aa6f9bb0 [1,0,0,0,0,1|1,1,0]=4 2643 B12R1.252 CC(C)CCNc1ccccc1 a9665cd268e7b4518a4ee939be46ff28 [0,0,0,0,0,2|2,0,0]=4 2644 B12R1.252 CC(C)CCNc1ccccn1 5b6942b64e33834b458baec7cf378581 [0,0,0,0,0,2|2,0,0]=4 2645 B12R1.252 CC(C)CCNc1cccnc1 69f5877c25712220cf9d8582cf74056f [0,0,0,0,0,2|2,0,0]=4 2646 B12R1.252 CC(C)CCNc1cccnn1 49603a690558b49ae61b3e35c8c0d434 [0,0,0,0,0,2|2,0,0]=4 2647 B12R1.252 CC(C)CCNc1ccncc1 51f5e7e7cccdd7bf4f868dbc1d306bf9 [0,0,0,0,0,2|2,0,0]=4 2648 B12R1.252 CC(C)CCNc1ccncn1 ecd6f70845650d07dedc7bc6c4ecaf3e [0,0,0,0,0,2|2,0,0]=4 2649 B12R1.252 CC(C)CCNc1cnccn1 97e2470ed9c067d0275d682bf33fd1a4 [0,0,0,0,0,2|2,0,0]=4 2650 B12R1.252 CC(C)CCNc1ncccn1 fa06639a03be4eb7f54f05de582700f7 [0,0,0,0,0,2|2,0,0]=4 2651 B12R1.252 CC(C)CCOc1ccccn1 7f883afab874ab8f83be331ad8cd7edb [0,0,0,0,0,2|2,0,0]=4 2652 B12R1.252 CC(C)CCOc1cccnc1 b89b58f2b508e626016a4b78466a2d25 [0,0,0,0,0,2|2,0,0]=4 2653 B12R1.252 CC(C)CCOc1ccncc1 d280f435e28fd77803bc44ac9ebf5e18 [0,0,0,0,0,2|2,0,0]=4 2654 B12R1.252 CC(C)CCOc1cnccn1 73ba6622223f14158ed8b6786344556e [0,0,0,0,0,2|2,0,0]=4 2655 B12R1.252 CC(C)CCOc1ncccn1 d292c3b5e983ca259d629766547f8fee [0,0,0,0,0,2|2,0,0]=4 2656 B12R1.252 CC(C)CNCc1ccccc1 c48ab8ad76cb980676fd518bfed01255 [0,0,0,0,0,2|2,0,0]=4 2657 B12R1.252 CC(C)CNCc1ccccn1 6d7ebb6c45d12163344e2670abad50d7 [0,0,0,0,0,2|2,0,0]=4 2658 B12R1.252 CC(C)CNCc1cccnc1 317cc81cae733d174c088ce8c918791e [0,0,0,0,0,2|2,0,0]=4 2659 B12R1.252 CC(C)CNCc1cccnn1 84be549ae7f23e584a9cd16132c3740f [0,0,0,0,0,2|2,0,0]=4 2660 B12R1.252 CC(C)CNCc1ccncc1 e68ace07204ad5f64fa8daf124fe226c [0,0,0,0,0,2|2,0,0]=4 2661 B12R1.252 CC(C)CNCc1ccncn1 7c1867cd40dfe052b1c70621dd586356 [0,0,0,0,0,2|2,0,0]=4 2662 B12R1.252 CC(C)CNCc1cnccn1 0929626c3926e9b5408d0567fa20c060 [0,0,0,0,0,2|2,0,0]=4 2663 B12R1.252 CC(C)CNCc1ncccn1 056b2d50b9d93d6eca9e998d6d806e1a [0,0,0,0,0,2|2,0,0]=4 2664 B12R1.252 CC(C)COCc1ccccc1 5769ac6c29ea9be863f0068a3148d1e9 [0,0,0,0,0,2|1,1,0]=4 2665 B12R1.252 CC(C)COCc1ccccn1 41f471be8d0443a395a59a6edd4b2170 [0,0,0,0,0,2|1,1,0]=4 2666 B12R1.252 CC(C)COCc1cccnc1 e949ee90c476dd3afee631c02891b751 [0,0,0,0,0,2|1,1,0]=4 2667 B12R1.252 CC(C)COCc1cccnn1 bcec46c8daa86302f285ba1f41a4db4d [0,0,0,0,0,2|1,1,0]=4 2668 B12R1.252 CC(C)COCc1ccncc1 243716518cbf836169ff83c6e87d1a68 [0,0,0,0,0,2|1,1,0]=4 2669 B12R1.252 CC(C)COCc1ccncn1 504e9144090fa54e034f83efb4a8bc6c [0,0,0,0,0,2|1,1,0]=4 2670 B12R1.252 CC(C)COCc1cnccn1 54d1f572f89be35af98ac5c6d0a00bd4 [0,0,0,0,0,2|1,1,0]=4 2671 B12R1.252 CC(C)COCc1ncccn1 33688b887bd33e4027684b65bbdc620c [0,0,0,0,0,2|1,1,0]=4 2672 B12R1.252 CC(C)NCCc1ccccc1 800f62166be48d31d0f1f8e8246a3d11 [0,0,0,0,0,2|2,0,0]=4 2673 B12R1.252 CC(C)NCCc1ccccn1 60db3ccccaed87369474311fbbb2ee61 [0,0,0,0,0,2|2,0,0]=4 2674 B12R1.252 CC(C)NCCc1cccnc1 f39609cf740b878733069b3389a379d4 [0,0,0,0,0,2|2,0,0]=4 2675 B12R1.252 CC(C)NCCc1ccncc1 2e03fedf55e71e95c0abd0f4865dc22e [0,0,0,0,0,2|2,0,0]=4 2676 B12R1.252 CC(C)NCCc1ccncn1 f7502abf563207bb5d53cb2d326dbabf [0,0,0,0,0,2|2,0,0]=4 2677 B12R1.252 CC(C)NCCc1cnccn1 35c3b70c1897dffd7b3a32c2343123fc [0,0,0,0,0,2|2,0,0]=4 2678 B12R1.252 CC(C)NCCc1ncccn1 794cc03a494745a4fc8f3acdee35c851 [0,0,0,0,0,2|2,0,0]=4 2679 B12R1.252 CC(C)OCCc1ccccc1 cd2036e50db53ec52d80c5b70290b19c [0,0,0,0,0,2|1,1,0]=4 2680 B12R1.252 CC(C)OCCc1ccccn1 618810b4708a73ec52035c34c4054b87 [0,0,0,0,0,2|1,1,0]=4 2681 B12R1.252 CC(C)OCCc1cccnc1 ad83d4217e0420d4f686447a978fc953 [0,0,0,0,0,2|1,1,0]=4 2682 B12R1.252 CC(C)OCCc1ccncc1 07cefd4f30952a7fff1efa12f3f8cb0e [0,0,0,0,0,2|1,1,0]=4 2683 B12R1.252 CC(C)OCCc1ccncn1 f1ce6c97a497c9e91937eebb9f30c7a6 [0,0,0,0,0,2|1,1,0]=4 2684 B12R1.252 CC(C)OCCc1cnccn1 ae26b65e22ea6fcf5c22fdff048110ff [0,0,0,0,0,2|1,1,0]=4 2685 B12R1.252 CC(C)OCCc1ncccn1 c1c5cf56502b5e60b3dba4a7a219c587 [0,0,0,0,0,2|1,1,0]=4 2686 B12R1.252 CC(C)OCNc1ccccc1 4ab9f406843d3d3dea8c678f7ec5fd29 [0,0,0,0,0,2|1,1,0]=4 2687 B12R1.252 CC(C)OCNc1ccccn1 f79533e956cd51a6f0cee4ac927e1136 [0,0,0,0,0,2|1,1,0]=4 2688 B12R1.252 CC(C)OCNc1cccnc1 6dd37a3ca9a4168d344f1af36676e50f [0,0,0,0,0,2|1,1,0]=4 2689 B12R1.252 CC(C)OCNc1cccnn1 4233edd1b8acbdda6e2ed07ac97c4f18 [0,0,0,0,0,2|1,1,0]=4 2690 B12R1.252 CC(C)OCNc1ccncc1 8f9b47fcb224f8aeae405dd2ac59e733 [0,0,0,0,0,2|1,1,0]=4 2691 B12R1.252 CC(C)OCNc1ccncn1 1fabcbbfa80bb30d20791ae9f3c3ce8d [0,0,0,0,0,2|1,1,0]=4 2692 B12R1.252 CC(C)OCNc1cnccn1 1ae9e037a0f2b87cad7a04a6488d98a1 [0,0,0,0,0,2|1,1,0]=4 2693 B12R1.252 CC(C)OCNc1ncccn1 0c1046b7f6674f6f89d655b1c355fded [0,0,0,0,0,2|1,1,0]=4 2694 B12R1.252 CC(C)OCOc1ccccn1 1f60fa9657a31d54ae86707f451d8353 [0,0,0,0,0,2|1,1,0]=4 2695 B12R1.252 CC(C)OCOc1cccnc1 0adf6c0a61ffae293502a60ec48e9b78 [0,0,0,0,0,2|1,1,0]=4 2696 B12R1.252 CC(C)OCOc1ccncc1 2419024f861ffb40c39021803c819ad7 [0,0,0,0,0,2|1,1,0]=4 2697 B12R1.252 CC(C)OCOc1cnccn1 8b455fe88e72e81fb797f6202bd7e240 [0,0,0,0,0,2|1,1,0]=4 2698 B12R1.252 CC(C)OCOc1ncccn1 54d4d12d600bf11bfd6c053363cfc867 [0,0,0,0,0,2|1,1,0]=4 2699 B12R1.255 CC(=CCCOc1ccco1)C 6bc62b84b251ae427a2fb85cebcca816 [0,0,0,0,0,2|1,0,1]=4 2700 B12R1.255 CC(=CCNCc1ccco1)C c2b4f727cd04084867c30b306b19d217 [0,0,0,0,0,2|1,0,1]=4 2701 B12R1.255 CC(=CCOCc1ccco1)C d5ab72e91e9438027749c00e393aac05 [0,0,0,0,0,2|0,1,1]=4 2702 B12R1.255 CC(=O)SCCOc1ccco1 1b65e07bf700c69aaf49b8c86dac647c [0,0,0,0,0,2|1,0,1]=4 2703 B12R1.255 CC(C)/C=C/CNc1cccs1 63d9b3abdffa7e2cb9316caca1ad9b70 [0,0,0,0,0,2|1,1,0]=4 2704 B12R1.255 CC(C)/C=C/CNc1ccno1 f2fbd6ee8a7e722100b25d63daa20a86 [0,0,0,0,0,2|2,0,0]=4 2705 B12R1.255 CC(C)/C=C/CNc1ncco1 60c7dd5237960d7fe1db82467f33049f [0,0,0,0,0,2|2,0,0]=4 2706 B12R1.255 CC(C)/C=C/COc1ccco1 daccbf33bda4c128eb75968c4076d285 [0,0,0,0,0,2|1,0,0]=3 2707 B12R1.255 CC(C)/C=C/COc1cccs1 bb1e4e7ba0b4bd48f64e135977844cdf [0,0,0,0,0,2|1,1,0]=4 2708 B12R1.255 CC(C)CCCNc1ccco1 5cfc5e2b49ff4e04efcd5d481c1297a9 [0,0,0,0,0,2|1,0,0]=3 2709 B12R1.255 CC(C)CCCNc1cccs1 82f0320240cadcd2c043ad834f7220c9 [0,0,0,0,0,2|1,1,0]=4 2710 B12R1.255 CC(C)CCCNc1ccno1 1774082aba5fe84108747543a6003501 [0,0,0,0,0,2|2,0,0]=4 2711 B12R1.255 CC(C)CCCNc1ncco1 42fd2d3cb0b863cef3fb58017b81b6dc [0,0,0,0,0,2|2,0,0]=4 2712 B12R1.255 CC(C)CCCOc1ccco1 dcd08fc2879004fa861e59b09cf5db01 [0,0,0,0,0,2|1,0,0]=3 2713 B12R1.255 CC(C)CCCOc1cccs1 40ae8fd500da42b4802efc4f542f3cfa [0,0,0,0,0,2|1,1,0]=4 2714 B12R1.255 CC(C)CCNCc1ccc[nH]1 a0fdff511339dffb5658283a9a441cef [0,0,0,0,0,2|2,0,0]=4 2715 B12R1.255 CC(C)CCNCc1ccco1 0cf3816b4cb4f5cbcebaf205e822f591 [0,0,0,0,0,2|1,0,0]=3 2716 B12R1.255 CC(C)CCNCc1cccs1 3f42e894a9a29dda3ec0f200ae325891 [0,0,0,0,0,2|1,1,0]=4 2717 B12R1.255 CC(C)CCNCc1ccno1 aee490ee4c5e2da502e496ef3bcbfee0 [0,0,0,0,0,2|2,0,0]=4 2718 B12R1.255 CC(C)CCNCc1cnco1 7283419da7093362649979156cd0b4a1 [0,0,0,0,0,2|2,0,0]=4 2719 B12R1.255 CC(C)CCNCc1ncco1 038d2d2463abf96169180e3d04d90dd4 [0,0,0,0,0,2|2,0,0]=4 2720 B12R1.255 CC(C)CCOCc1ccc[nH]1 f7206f12f79d437f50b71e92302f19f1 [0,0,0,0,0,2|1,1,0]=4 2721 B12R1.255 CC(C)CCOCc1ccco1 dea6f0e1643601988f69fd6498c08a87 [0,0,0,0,0,2|0,1,0]=3 2722 B12R1.255 CC(C)CCOCc1cccs1 c640b52ed684e95b8d9f770f1197d8b4 [0,0,0,0,0,2|0,2,0]=4 2723 B12R1.255 CC(C)CCOCc1ccno1 eef161f30f91b4e47d4276866feab8e8 [0,0,0,0,0,2|1,1,0]=4 2724 B12R1.255 CC(C)CCOCc1cnco1 e7442d44d342c0027052434370bf4256 [0,0,0,0,0,2|1,1,0]=4 2725 B12R1.255 CC(C)CCOCc1ncco1 b311d017e37c2dabce5f5e0eb31f177a [0,0,0,0,0,2|1,1,0]=4 2726 B12R1.255 CC(C)CNCCc1ccc[nH]1 319734fac88f6f898443a89ca242e8a3 [0,0,0,0,0,2|2,0,0]=4 2727 B12R1.255 CC(C)CNCCc1ccco1 5b6fd40f8b7047feb3e8a2b0e034f7f9 [0,0,0,0,0,2|1,0,0]=3 2728 B12R1.255 CC(C)CNCCc1cccs1 d5ff789911675cb1d93fd90b18cbc293 [0,0,0,0,0,2|1,1,0]=4 2729 B12R1.255 CC(C)COCCc1ccc[nH]1 682fc7a6cb126720e79c980dd24e4532 [0,0,0,0,0,2|1,1,0]=4 2730 B12R1.255 CC(C)COCCc1ccco1 a14e1c063b13d5dfb226ed4ae28ba944 [0,0,0,0,0,2|0,1,0]=3 2731 B12R1.255 CC(C)COCCc1cccs1 1b3de1e4a1c2b6be2b70964cf8b46871 [0,0,0,0,0,2|0,2,0]=4 2732 B12R1.255 CC(C)NCCCc1ccco1 735124c36a5b5a0ac384c480800e6c01 [0,0,0,0,0,2|1,0,0]=3 2733 B12R1.255 CC(C)OCCCc1ccco1 12c76d8e5532bb5378a87d0a2d018feb [0,0,0,0,0,2|0,1,0]=3 2734 B12R1.255 CC(C)OCCCc1cccs1 b62356003ef0c457b617343e16c97ede [0,0,0,0,0,2|0,2,0]=4 2735 B12R1.255 CC(C)OCCNc1ccco1 2ae00eb00ea1b81dfbd3ba052f1ce433 [0,0,0,0,0,2|0,1,0]=3 2736 B12R1.255 CC(C)OCCNc1cccs1 f5fad1ecf4a31b93a7f13a410f11501e [0,0,0,0,0,2|0,2,0]=4 2737 B12R1.255 CC(C)OCCNc1ccno1 6525e6fffcf731337b471dec40c69ee9 [0,0,0,0,0,2|1,1,0]=4 2738 B12R1.255 CC(C)OCCNc1ncco1 84b4271a45bb5717ffeb9ca1cbe3cef1 [0,0,0,0,0,2|1,1,0]=4 2739 B12R1.255 CC(C)OCCOc1ccco1 3524f9c63c0a58b96ea19775048be154 [0,0,0,0,0,2|0,1,0]=3 2740 B12R1.255 CC(C)OCCOc1cccs1 1b5c9b603587099b3e89925232c1aad1 [0,0,0,0,0,2|0,2,0]=4 2741 B12R1.255 CC(C)OCCSc1cccs1 4a6ce5fe9782b2f733235ded830c4ef8 [0,0,0,0,0,2|0,2,0]=4 2742 B12R1.255 CC(C)OCNCc1ccc[nH]1 646017af84eae87e7d788200148565fe [0,0,0,0,0,2|1,1,0]=4 2743 B12R1.255 CC(C)OCNCc1ccco1 f03b53c0255e24bd76b71a6e1a488c8b [0,0,0,0,0,2|0,1,0]=3 2744 B12R1.255 CC(C)OCNCc1cccs1 35e4c759aabcfe3c17bd525b43778ede [0,0,0,0,0,2|0,2,0]=4 2745 B12R1.255 CC(C)OCNCc1ccno1 29c7bd0b63138ab55c833e277406de64 [0,0,0,0,0,2|1,1,0]=4 2746 B12R1.255 CC(C)OCNCc1cnco1 de538d6b500ab99d308dcb3a09ce7ce2 [0,0,0,0,0,2|1,1,0]=4 2747 B12R1.255 CC(C)OCNCc1ncco1 1d9f2aa79e08cc6a8e00115bf51ce10e [0,0,0,0,0,2|1,1,0]=4 2748 B12R1.255 CC(C)OCOCc1ccc[nH]1 e8a1bd012e4df598c40165bf3dd0827c [0,0,0,0,0,2|1,1,0]=4 2749 B12R1.255 CC(C)OCOCc1ccco1 f7f97f1d95c060bd72b5276bfc5cbdb1 [0,0,0,0,0,2|0,1,0]=3 2750 B12R1.255 CC(C)OCOCc1ccno1 4816998f430221fd7dccd5467ac1a713 [0,0,0,0,0,2|1,1,0]=4 2751 B12R1.255 CC(C)OCOCc1ncco1 300d5385c619ac54f850825a302dceb2 [0,0,0,0,0,2|1,1,0]=4 2752 B12R1.255 CC(C)SCCNc1cc[nH]n1 9a2874d27dbb9215b1ebffbff192b19a [0,0,0,0,0,2|2,0,0]=4 2753 B12R1.255 CC(C)SCCNc1cccs1 75435dd562cca2bc583d383becde85c6 [0,0,0,0,0,2|0,1,0]=3 2754 B12R1.255 CC(C)SCCNc1ccno1 ece47409c8088a9391b3da2e42282d0a [0,0,0,0,0,2|1,0,0]=3 2755 B12R1.255 CC(C)SCCNc1ccns1 0690de940b60ed6fedb6a703ca86a648 [0,0,0,0,0,2|1,1,0]=4 2756 B12R1.255 CC(C)SCCNc1ccon1 84122a8b7d5d87d0b4c9bf1fe28b92e0 [0,0,0,0,0,2|2,0,0]=4 2757 B12R1.255 CC(C)SCCNc1ccsc1 617f50339fb15dc9dd5dd0c4170c92f7 [0,0,0,0,0,2|2,0,0]=4 2758 B12R1.255 CC(C)SCCNc1cncs1 add721937950396ee3bafa98d21b3908 [0,0,0,0,0,2|1,1,0]=4 2759 B12R1.255 CC(C)SCCNc1cocn1 667b46c126c6f81c7b88817fe3123986 [0,0,0,0,0,2|2,0,0]=4 2760 B12R1.255 CC(C)SCCNc1cscn1 31eb6e4f9dd4f21f5d0a248622053abe [0,0,0,0,0,2|2,0,0]=4 2761 B12R1.255 CC(C)SCCNc1ncc[nH]1 997c39c3da420aea20a27393d98ce8a5 [0,0,0,0,0,2|2,0,0]=4 2762 B12R1.255 CC(C)SCCNc1ncco1 fe48177268b056251e33277927e14ff2 [0,0,0,0,0,2|1,0,0]=3 2763 B12R1.255 CC(C)SCCNc1nccs1 7e8b9fa42dce5576f9a58395ca860df9 [0,0,0,0,0,2|1,1,0]=4 2764 B12R1.255 CC(C)SCCNc1nnco1 0ecf4d2c09410b6ecc2eb7f444e5ff31 [0,0,0,0,0,2|2,0,0]=4 2765 B12R1.255 CC(C)SCCOc1c[nH]cn1 984669c9709e20ae9f2ed32aed89e2f1 [0,0,0,0,0,2|2,0,0]=4 2766 B12R1.255 CC(C)SCCOc1ccco1 ad4927df1b1d1feb434ab48186f731f9 [0,0,0,0,0,2|0,0,0]=2 2767 B12R1.255 CC(C)SCCOc1cccs1 d969a9936a66b4ff54d69fbd45901d5a [0,0,0,0,0,2|0,1,0]=3 2768 B12R1.255 CC(C)SCCOc1ccn[nH]1 8ac02dab5332cb6243d70f2723377641 [0,0,0,0,0,2|2,0,0]=4 2769 B12R1.255 CC(C)SCCOc1ccsc1 714a79baa06c4b3f1016981ae6ae7a49 [0,0,0,0,0,2|2,0,0]=4 2770 B12R1.255 CC(C)SCCOc1nccs1 e824d2d557c65945db566adbec022f81 [0,0,0,0,0,2|1,1,0]=4 2771 B12R1.255 CC(C)SCCOn1cccn1 6d4589fb6b675f3c6d526eb34653db24 [0,0,0,0,0,2|2,0,0]=4 2772 B12R1.255 CC(O)CCNCc1ccco1 f078a483967a9b97b9fb068ba80aefc0 [0,0,0,0,0,2|2,0,0]=4 2773 B12R1.255 CC(O)CNCCc1ccco1 900232edabdb011c975c2b5582f667f3 [0,0,0,0,0,2|2,0,0]=4 2774 B12R1.255 CN(C)CCCNc1ccco1 65e5f15698947ee654a8a7f10f9db317 [0,0,0,0,0,2|2,0,0]=4 2775 B12R1.255 CN(C)CCCOc1ccco1 5cb669878f58193b9f0fa9d606f104de [0,0,0,0,0,2|2,0,0]=4 2776 B12R1.255 CN(C)CCNCc1ccco1 9a88986b7a51679841573d121ff53362 [0,0,0,0,0,2|2,0,0]=4 2777 B12R1.255 CN(C)CCOCc1ccco1 2d62c09a106b5486790d99dc5772f6c9 [0,0,0,0,0,2|1,1,0]=4 2778 B12R1.255 CN(C)CNCCc1ccco1 903562b8217b492d9985263192eefd25 [0,0,0,0,0,2|2,0,0]=4 2779 B12R1.255 CN(C)COCCc1ccco1 a3d956be79453f283b158700ba4ae055 [0,0,0,0,0,2|1,1,0]=4 2780 B12R1.255 C[C@@H](O)CCNCc1ccco1 f09f5d6f4d79847e5eb1d2de4c1a98f5 [0,0,0,0,0,2|2,0,0]=4 2781 B12R1.255 C[C@H](O)CCNCc1ccco1 42485d3b3b115c36add5a67af8a48960 [0,0,0,0,0,2|2,0,0]=4 2782 B12R1.255 C[C@H](O)CNCCc1ccco1 8659634d03081339b7afb6b10823e67a [0,0,0,0,0,2|2,0,0]=4