0 B16R2.41276 CCc1cccc(c1NC2CCCC2)C d5074bd8f60b0f8170d28952d8a579d2 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.41276 CCc1cccc(c1Nc2c[nH]cn2)C bbaba9164d5b8bd980dbe8b33eed03ea [0,0,0,0,0,0|3,0,1]=4 2 B16R2.41276 CCc1cccc(c1Nc2cc[nH]n2)C 09bfe3d709727bd7167688d42b1bf06d [0,0,0,0,0,0|3,0,1]=4 3 B16R2.41276 CCc1cccc(c1Nc2ccco2)C 4c1f918ada046886a20c5b6fa32119d0 [0,0,0,0,0,0|2,0,2]=4 4 B16R2.41276 CCc1cccc(c1Nc2ccno2)C e34a1716e7567097679406c8d47e56ca [0,0,0,0,0,0|3,0,1]=4 5 B16R2.41276 CCc1cccc(c1Nc2ccon2)C 885f131711352d032147d12f5568e221 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.41276 CCc1cccc(c1Nc2cnon2)C 4b63130d57405d2d8116ad8d13ebe5b8 [0,0,0,0,0,0|4,0,0]=4 7 B16R2.41276 CCc1cccc(c1Nc2cocn2)C 20a322322de62a329270463ac77eba43 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.41276 CCc1cccc(c1Nc2cscn2)C 01ec53229cc5c5e7f25583bbf42d0725 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.41276 CCc1cccc(c1Nc2nc[nH]n2)C face6b1dcbce0f1144af66575274dc3c [0,0,0,0,0,0|3,0,1]=4 10 B16R2.41276 CCc1cccc(c1Nc2ncco2)C 3a195adb8d4614e77f199fcb5f652c9e [0,0,0,0,0,0|1,0,2]=3 11 B16R2.41276 CCc1cccc(c1Nc2ncco2)O 60a7c6ca6aabc390a2665de73fcaa9f1 [0,0,0,0,0,0|2,0,2]=4 12 B16R2.41276 CCc1cccc(c1Nc2nccs2)C 1e445087d0bf0246f7636d6636ccd96c [0,0,0,0,0,0|1,1,2]=4 13 B16R2.41276 CCc1cccc(c1Nc2nnco2)C 6dfa3c6df4164cfbda3f07dc980c8562 [0,0,0,0,0,0|2,0,1]=3 14 B16R2.41276 CCc1cccc(c1Nc2nncs2)C f27514ae613b4dc4bad0f7e7eefd2abc [0,0,0,0,0,0|2,1,1]=4 15 B16R2.41276 CCc1cccc(c1Nc2nnns2)C d1758cc7515e7928dfbbbd7de10fad39 [0,0,0,0,0,0|3,1,0]=4 16 B16R2.41276 COc1cccc(c1Nc2c[nH]cn2)C db582601b025aa2afc5f8c2b35ed635d [0,0,0,0,0,0|2,0,1]=3 17 B16R2.41276 COc1cccc(c1Nc2c[nH]cn2)O 975cb3b5044d61c0b2de31d7fa0f8150 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.41276 COc1cccc(c1Nc2cc[nH]n2)C 78fee1e5cd06ec3affa0615710c9e318 [0,0,0,0,0,0|2,0,1]=3 19 B16R2.41276 COc1cccc(c1Nc2ccno2)C 785d6d5f96f819084f18e6012f70a106 [0,0,0,0,0,0|2,0,1]=3 20 B16R2.41276 COc1cccc(c1Nc2ccno2)F 063e680c68a8f337c091b242aef9fc36 [0,0,0,0,0,0|3,0,1]=4 21 B16R2.41276 COc1cccc(c1Nc2ccns2)C 729205cc7669bcd53942db937147cdde [0,0,0,0,0,0|2,1,1]=4 22 B16R2.41276 COc1cccc(c1Nc2ccoc2)C 62365d90a95861cb2c8b435c0c365d8c [0,0,0,0,0,0|3,0,1]=4 23 B16R2.41276 COc1cccc(c1Nc2cncs2)C 62c01eda106c3db346e1e377c1c5923b [0,0,0,0,0,0|2,1,1]=4 24 B16R2.41276 COc1cccc(c1Nc2cnoc2)C ff0d07e6821c00e65b80314e4d7b391b [0,0,0,0,0,0|4,0,0]=4 25 B16R2.41276 COc1cccc(c1Nc2cnon2)C 70ee8b2855cb68f873b672a9297fadb0 [0,0,0,0,0,0|3,0,0]=3 26 B16R2.41276 COc1cccc(c1Nc2cocn2)C 8bdbd71b54677043c0e2db21a4438fb5 [0,0,0,0,0,0|2,0,1]=3 27 B16R2.41276 COc1cccc(c1Nc2cocn2)F d3e73dc43e84ac2f8b0af7c80035b87a [0,0,0,0,0,0|3,0,1]=4 28 B16R2.41276 COc1cccc(c1Nc2ncco2)S b5642b904efb2aea21e1ffed2a6e74b3 [0,0,0,0,0,0|1,0,2]=3 29 B16R2.41276 COc1cccc(c1Nc2nccs2)C 94dd5b83677114a2d2c3cd02d43dc6d5 [0,0,0,0,0,0|0,1,2]=3 30 B16R2.41276 COc1cccc(c1Nc2nccs2)F d839344d527e12a7deeca66e4105d309 [0,0,0,0,0,0|1,1,2]=4 31 B16R2.41276 COc1cccc(c1Nc2nccs2)O 238d2f156ab59dd45db286a17f69751e [0,0,0,0,0,0|1,1,2]=4 32 B16R2.41276 COc1cccc(c1Nc2nccs2)S ef3b3d274bc873f42ecf1e1b183bd83d [0,0,0,0,0,0|1,1,2]=4 33 B16R2.41276 COc1ccnc(c1Nc2ccno2)C ea90ed54c9fc12a87a1f30b0e6a3fa7b [0,0,0,0,0,0|3,0,1]=4 34 B16R2.41276 COc1ccnc(c1Nc2cocn2)C f92b8239a2344f4c12a2a06ee22e60c6 [0,0,0,0,0,0|3,0,1]=4 35 B16R2.41276 COc1ccnc(c1Nc2nnco2)F 0185d0cbf3d630d38661274082280f8a [0,0,0,0,0,0|3,0,1]=4 36 B16R2.41276 COc1nccc(c1NC2CCCC2)C 6747874133c48564d3c02f9706051bbb [0,0,0,0,0,0|3,0,1]=4 37 B16R2.41276 COc1nccc(c1Nc2c[nH]cn2)C 200c16be8e00a8380d8126b1db42dc0f [0,0,0,0,0,0|3,0,1]=4 38 B16R2.41276 COc1nccc(c1Nc2cc[nH]n2)C 601a35b6d771a1fcfe21d4027b50cc48 [0,0,0,0,0,0|3,0,1]=4 39 B16R2.41276 COc1nccc(c1Nc2ccco2)C de6bb515708a86622d16ca2a55c37c50 [0,0,0,0,0,0|2,0,2]=4 40 B16R2.41276 COc1nccc(c1Nc2ccno2)C 8ea50e88d55f2472b44314861ddc3735 [0,0,0,0,0,0|3,0,1]=4 41 B16R2.41276 COc1nccc(c1Nc2ccon2)C 7541141c340c1a1ad6990397e49eaae1 [0,0,0,0,0,0|3,0,1]=4 42 B16R2.41276 COc1nccc(c1Nc2cnon2)C 7607d032583748181c963864c7397837 [0,0,0,0,0,0|4,0,0]=4 43 B16R2.41276 COc1nccc(c1Nc2cnsn2)C 90885fd7b8c299467f821c12465b87b4 [0,0,0,0,0,0|4,0,0]=4 44 B16R2.41276 COc1nccc(c1Nc2cocn2)C 7b94742c12d6e6da53cb01ad60686658 [0,0,0,0,0,0|3,0,1]=4 45 B16R2.41276 COc1nccc(c1Nc2cscn2)C b1dea78c721b5e4544d807121565a13e [0,0,0,0,0,0|3,0,1]=4 46 B16R2.41276 COc1nccc(c1Nc2csnn2)C 0f6ec6d61f06ec3717386efc97fad1e1 [0,0,0,0,0,0|4,0,0]=4 47 B16R2.41276 COc1nccc(c1Nc2ncco2)F b42243423da04131aa25a7225e7a0b91 [0,0,0,0,0,0|2,0,2]=4 48 B16R2.41276 COc1nccc(c1Nc2ncco2)O 48e7077c8eb0a4cbe1aec5d180d12b89 [0,0,0,0,0,0|2,0,2]=4 49 B16R2.41276 COc1nccc(c1Nc2nccs2)C 5cc17800aa547c9d085c2daa43f72c5e [0,0,0,0,0,0|1,1,2]=4 50 B16R2.41276 COc1nccc(c1Nc2ncns2)C b916fd0de890017c81440117d58aa62c [0,0,0,0,0,0|2,1,1]=4 51 B16R2.41276 COc1nccc(c1Nc2nn[nH]n2)C 8f161c3004a784a6526bcda034fcd113 [0,0,0,0,0,0|4,0,0]=4 52 B16R2.41276 COc1nccc(c1Nc2nnco2)C 5be6be8d8513ab02856eb1a8f0410aa1 [0,0,0,0,0,0|2,0,1]=3 53 B16R2.41276 COc1nccc(c1Nc2nnco2)F 47e6c59e27eeab20e5851d307e042380 [0,0,0,0,0,0|3,0,1]=4 54 B16R2.41276 CSc1cccc(c1Nc2c[nH]cn2)C 39ccd56255bed44b5bb17f853b0de529 [0,0,0,0,0,0|2,1,1]=4 55 B16R2.41276 CSc1cccc(c1Nc2cc[nH]n2)C a0ea2171f33186f971521527ce221e40 [0,0,0,0,0,0|2,1,1]=4 56 B16R2.41276 CSc1cccc(c1Nc2ccno2)C 17d78d03205038eb86245a13b8e080dd [0,0,0,0,0,0|2,1,1]=4 57 B16R2.41276 CSc1cccc(c1Nc2cnon2)C 7c220517d3e915a89ebb5e9881576200 [0,0,0,0,0,0|3,1,0]=4 58 B16R2.41276 CSc1cccc(c1Nc2cocn2)C 1c2365a085bfc2b247f0033d2e8136d9 [0,0,0,0,0,0|2,1,1]=4 59 B16R2.41276 CSc1cccc(c1Nc2ncco2)F c201429ae995c45960bc96de358951fd [0,0,0,0,0,0|1,1,2]=4 60 B16R2.41276 CSc1cccc(c1Nc2nccs2)C 9a595b75abc4e2846f6e383725c239c5 [0,0,0,0,0,0|0,2,2]=4 61 B16R2.41276 CSc1cccc(c1Nc2nnco2)C 4d090d8320c4c562d165943eef635ae1 [0,0,0,0,0,0|1,1,1]=3 62 B16R2.41276 CSc1cccc(c1Nc2nnco2)F 13b7949580676aa7a8e6e9a5e06e9919 [0,0,0,0,0,0|2,1,1]=4 63 B16R2.41276 CSc1nccc(c1Nc2nnco2)C 671f350b0ca6f81d3e7101579dc0ea58 [0,0,0,0,0,0|2,1,1]=4 64 B16R2.41276 Cc1cccc(c1Nc2ncco2)C=O 332f61d10ef11879377b0aa903195d52 [0,0,0,0,0,0|2,0,2]=4 65 B16R2.41276 Cc1cccc(c1Nc2nnco2)C=O 4fec3fb1ae088bb71397a14e387e4093 [0,0,0,0,0,0|3,0,1]=4 66 B16R2.41276 Cc1cccc(c1Nc2nnco2)CO d6d2ee33afb74ba56956e73701497f91 [0,0,0,0,0,0|3,0,1]=4 67 B15R2.123 CCc1ccccc1Nc2nnco2 16054b43a24e6ff491490d6dac0837c0 [1,0,0,0,0,0|2,0,1]=4 68 B15R2.123 COc1ccccc1Nc2ccno2 9a9642b2175ea565a5bbb409e059cdd1 [1,0,0,0,0,0|2,0,1]=4 69 B15R2.123 COc1ccccc1Nc2cocn2 65ca7c3b55ec37b95ee83e906f30d972 [1,0,0,0,0,0|2,0,1]=4 70 B15R2.123 COc1cccnc1Nc2nnco2 7534c3dad0847d071e784f148bf4c6d6 [1,0,0,0,0,0|2,0,1]=4 71 B15R2.15371 Cc1cccc(c1NC2CCCC2)C 8d27b22bbdfb1e90ed72a5481c04b894 [1,0,0,0,0,0|2,0,1]=4 72 B15R2.15371 Cc1cccc(c1Nc2cc[nH]n2)C 2b0787e5f7830bde2017f9185befe944 [1,0,0,0,0,0|2,0,1]=4 73 B15R2.15371 Cc1cccc(c1Nc2ccno2)C de89ae0ebedab30a1b2e096c4a85e417 [1,0,0,0,0,0|2,0,1]=4 74 B15R2.15371 Cc1cccc(c1Nc2cocn2)C 58f23266e39147ec47d4ea192f044700 [1,0,0,0,0,0|2,0,1]=4 75 B15R2.15371 Cc1cccc(c1Nc2nccs2)C 347c6f1a60191f38ad2589e3c8f1b9fc [1,0,0,0,0,0|0,1,2]=4 76 B15R2.15371 Cc1cccc(c1Nc2nccs2)O 3b24ca1d4f5e598415968f78060bf02d [1,0,0,0,0,0|0,1,2]=4 77 B17R2.5412 CCc1cc(cc(c1Nc2ncco2)C)C a310c1d4ed96d8477851b51d2f3c544b [0,1,0,0,0,0|1,0,2]=4 78 B17R2.5412 COc1cc(cc(c1NC2CCCC2)C)Br bf2ad594aff96ca71eddfb2c63ee1a32 [0,1,0,0,0,0|2,0,1]=4 79 B17R2.5412 COc1cc(cc(c1Nc2cc[nH]n2)C)C c866960fe470e0d8199c96daf3088b67 [0,1,0,0,0,0|2,0,1]=4 80 B17R2.5412 COc1cc(cc(c1Nc2ccno2)C)C 15258ad0edd1475274baf0b2dd5a4102 [0,1,0,0,0,0|2,0,1]=4 81 B17R2.5412 COc1cc(cc(c1Nc2ccon2)C)C 974b2730eb900e3c08df91b94cfe6b85 [0,1,0,0,0,0|2,0,1]=4 82 B17R2.5412 COc1cc(cc(c1Nc2cocn2)C)C 0061c4697fdb7410c2de2bdf106e10cf [0,1,0,0,0,0|2,0,1]=4 83 B17R2.5412 COc1cc(cc(c1Nc2ncco2)Br)Br ad7d373268ea7b52c82a4273a0a00d5d [0,1,0,0,0,0|1,0,2]=4 84 B17R2.5412 COc1cc(cc(c1Nc2ncco2)Br)Cl c5b0bbe1697e8b37bcd0df55900e0a8e [0,1,0,0,0,0|1,0,2]=4 85 B17R2.5412 COc1cc(cc(c1Nc2ncco2)Cl)Cl 67f0c546c4e774cb172deb6349048fed [0,1,0,0,0,0|1,0,2]=4 86 B17R2.5412 COc1cc(cc(c1Nc2ncco2)F)F 2bf66dc03e257f9950fc3f6048d21f42 [0,1,0,0,0,0|1,0,2]=4 87 B17R2.5412 COc1cc(cc(c1Nc2nnco2)Br)Br 9eba33537930b3480faca59cda723678 [0,1,0,0,0,0|2,0,1]=4 88 B17R2.5412 COc1cc(cc(c1Nc2nnco2)Br)Cl 0257871c519351f4b174d3d02c76d9a0 [0,1,0,0,0,0|2,0,1]=4 89 B17R2.5412 COc1cc(cc(c1Nc2nnco2)Cl)Cl f9eab843790e537b0b7d34dc365af114 [0,1,0,0,0,0|2,0,1]=4 90 B17R2.5412 COc1cc(cc(c1Nc2nnco2)F)C 6a4a2e075e5655b69f5bb7008e573125 [0,1,0,0,0,0|2,0,1]=4 91 B17R2.5412 COc1cc(cc(c1Nc2nnco2)F)F 4e9b1b284ffacb7013555f231c94db42 [0,1,0,0,0,0|2,0,1]=4 92 B17R2.17043 COc1c(ccc(c1Nc2cc[nH]n2)C)F f8bedad9ccdf6af8a51d551dae676764 [0,1,0,0,0,0|2,0,1]=4 93 B17R2.17043 COc1c(ccc(c1Nc2cc[nH]n2)C)O 5917ddb35ac7deb0a3dc576aa3d2df80 [0,1,0,0,0,0|2,0,1]=4 94 B17R2.17043 COc1c(ccc(c1Nc2ccno2)C)F 4cef99f90b76b2e6ddf15ee23d7d5ba8 [0,1,0,0,0,0|2,0,1]=4 95 B17R2.17043 COc1c(ccc(c1Nc2ccon2)C)F fc53e679605ffc4967ba9bdf3b60b0ef [0,1,0,0,0,0|2,0,1]=4 96 B17R2.17043 COc1c(ccc(c1Nc2cnon2)C)F 2ddab5baa9605ae3b4513b2b3a8d18bf [0,1,0,0,0,0|3,0,0]=4 97 B17R2.17043 COc1c(ccc(c1Nc2cocn2)C)F 5bfd9f4c4496df57b5a39b38757ddaa3 [0,1,0,0,0,0|2,0,1]=4 98 B17R2.17043 COc1c(ccc(c1Nc2cscn2)C)F 76f83d70e77ca95e36da4b8d815d439f [0,1,0,0,0,0|2,0,1]=4 99 B17R2.17043 COc1c(ccc(c1Nc2nc[nH]n2)C)F 6069364ce27e9344100d9335d47690b5 [0,1,0,0,0,0|2,0,1]=4 100 B17R2.17043 COc1c(ccc(c1Nc2ncco2)Cl)Cl ccc3a42bb5c56b2262963d7d1f43d984 [0,1,0,0,0,0|1,0,2]=4 101 B17R2.17043 COc1c(ccc(c1Nc2ncco2)F)F ac73af3dbceb54fdf0cd8b091e9f2cc6 [0,1,0,0,0,0|1,0,2]=4 102 B17R2.17043 COc1c(ccc(c1Nc2ncon2)C)F 1ca24cf8ec0ffa16ec5a5b1693e915a5 [0,1,0,0,0,0|2,0,1]=4 103 B17R2.17043 COc1c(ccc(c1Nc2nn[nH]n2)C)F 10309fab6224cff8399815e50db63720 [0,1,0,0,0,0|3,0,0]=4 104 B17R2.17043 COc1c(ccc(c1Nc2nnco2)C)F a9288055319ae7a5697a246423ff30f1 [0,1,0,0,0,0|1,0,1]=3 105 B17R2.17043 COc1c(ccc(c1Nc2nnco2)F)C 448d0a584bfc347a20c0a35d981f44b8 [0,1,0,0,0,0|2,0,1]=4 106 B17R2.17043 COc1c(ccc(c1Nc2nnco2)F)F 261e0c0fcd34afaefa63d8691d2d0231 [0,1,0,0,0,0|2,0,1]=4 107 B17R2.17043 COc1c(ccc(c1Nc2nncs2)C)F a8f23d5bcbd170aebe40ac78ea866d1a [0,1,0,0,0,0|1,1,1]=4 108 B17R2.17043 CSc1c(ccc(c1Nc2nnco2)C)F 9d6312e16e9b75edf69cdd645f85d025 [0,1,0,0,0,0|1,1,1]=4 109 B17R2.24113 CC(=O)c1cccc(c1Nc2ncco2)C 6cf8221b66dd51987b34bd7db7f82744 [0,1,0,0,0,0|1,0,2]=4 110 B17R2.24113 CC(=O)c1cccc(c1Nc2nnco2)C e625508d95070b5e145834f246cd3c2e [0,1,0,0,0,0|2,0,1]=4 111 B17R2.34169 CCOc1cccc(c1NC2CCCC2)C ac1542d21c6daeae1fac9c9f38f0f323 [0,1,0,0,0,0|2,0,1]=4 112 B17R2.34169 CCOc1cccc(c1Nc2c[nH]cn2)C 76385f9b985f32c9bb2dc1fc526e3329 [0,1,0,0,0,0|2,0,1]=4 113 B17R2.34169 CCOc1cccc(c1Nc2cc[nH]n2)C 7b4e0479b5f93663cba56fa8dca140a0 [0,1,0,0,0,0|2,0,1]=4 114 B17R2.34169 CCOc1cccc(c1Nc2ccco2)C ab19a527d992bb4f921bca793b83812f [0,1,0,0,0,0|1,0,2]=4 115 B17R2.34169 CCOc1cccc(c1Nc2ccno2)C a0eb304cf7db4c2ca617838a46bdcb92 [0,1,0,0,0,0|2,0,1]=4 116 B17R2.34169 CCOc1cccc(c1Nc2cnsn2)C b9e107a5d55e8936a0186d70cf726e5d [0,1,0,0,0,0|3,0,0]=4 117 B17R2.34169 CCOc1cccc(c1Nc2cocn2)C 5e72fc723e057201145ac0a1838040c6 [0,1,0,0,0,0|2,0,1]=4 118 B17R2.34169 CCOc1cccc(c1Nc2ncc[nH]2)C 834452897ecdc8c9ef4add8edc141cc8 [0,1,0,0,0,0|1,0,2]=4 119 B17R2.34169 CCOc1cccc(c1Nc2ncco2)C 76ea45ac6781bd0bb08e419fae17c1eb [0,1,0,0,0,0|0,0,2]=3 120 B17R2.34169 CCOc1cccc(c1Nc2ncco2)F 1c211785fd5b8c113bfd6b7f0a068d2b [0,1,0,0,0,0|1,0,2]=4 121 B17R2.34169 CCOc1cccc(c1Nc2ncco2)O e7a26c017fa01e38f179fbfb8e91878a [0,1,0,0,0,0|1,0,2]=4 122 B17R2.34169 CCOc1cccc(c1Nc2nccs2)C 84bc2324e84f142625b5f498a68e4867 [0,1,0,0,0,0|0,1,2]=4 123 B17R2.34169 CCOc1cccc(c1Nc2ncns2)C f73a63b175f67d52c3b72d0032f7d15d [0,1,0,0,0,0|1,1,1]=4 124 B17R2.34169 CCOc1cccc(c1Nc2nnco2)C cebe70d3833e046e8352faa765ac06d1 [0,1,0,0,0,0|1,0,1]=3 125 B17R2.34169 CCOc1cccc(c1Nc2nnco2)F 66b5e17286f7a195d94215b68e645f76 [0,1,0,0,0,0|2,0,1]=4 126 B17R2.34169 CCOc1cccc(c1Nc2nncs2)C 87edd650f24fec09bdef9157a610c8da [0,1,0,0,0,0|1,1,1]=4 127 B17R2.34169 CCOc1nccc(c1Nc2nnco2)C e3b80afc4e1f6d3afea2a1d440b70a96 [0,1,0,0,0,0|2,0,1]=4 128 B17R2.34169 COCc1cccc(c1Nc2nnco2)F 6febe733ed9fa3404ab96aa77bffe806 [0,1,0,0,0,0|2,0,1]=4 129 B17R2.34169 Cc1cccc(c1Nc2nnco2)CCO baefb6d60422707732ec885ff9362d7d [0,1,0,0,0,0|2,0,1]=4 130 B17R2.69149 CCc1ccc(c(c1Nc2nnco2)C)F 0941826d1a5e32af697bcb1101f2e13c [0,1,0,0,0,0|2,0,1]=4 131 B17R2.69149 COc1ccc(c(c1Nc2ccno2)C)F 4a1ed19c9fd55166c34a9326bf48b874 [0,1,0,0,0,0|2,0,1]=4 132 B17R2.69149 COc1ccc(c(c1Nc2cocn2)C)F 3dcfc51be1bfb601b4abcb88d467fc13 [0,1,0,0,0,0|2,0,1]=4 133 B17R2.69149 COc1ccc(c(c1Nc2ncco2)Br)Cl 863bb90c4703c64f16d6d566cadc00e9 [0,1,0,0,0,0|1,0,2]=4 134 B17R2.69149 COc1ccc(c(c1Nc2ncco2)F)F 504da0cea6837e64e6c41643e5c27405 [0,1,0,0,0,0|1,0,2]=4 135 B17R2.69149 COc1ccc(c(c1Nc2nnco2)Br)Cl 4011d5cda1dd5506f86c8601f546edb6 [0,1,0,0,0,0|2,0,1]=4 136 B17R2.69149 COc1ccc(c(c1Nc2nnco2)F)C 72ace7267c0db0dfed6b1820a4d0f274 [0,1,0,0,0,0|2,0,1]=4 137 B17R2.69149 COc1ccc(c(c1Nc2nnco2)F)F ea54fb979775758816055879043e0968 [0,1,0,0,0,0|2,0,1]=4 138 B17R2.69149 CSc1ccc(c(c1Nc2nnco2)C)F 67d89e0e887d2fe25105580a19f4204a [0,1,0,0,0,0|1,1,1]=4 139 B17R2.71168 CCc1cccc(c1N(C)c2nnco2)C 63390e91bf3068898756b103e1909856 [0,1,0,0,0,0|2,0,1]=4 140 B17R2.71168 COc1cccc(c1N(C)c2nnco2)C 1695691b4b9909b3bb45dd5e3d15fa1f [0,1,0,0,0,0|1,0,1]=3 141 B17R2.71168 COc1cccc(c1N(C)c2nnco2)F c42cdd4eca191a362ef626870c3ab9c0 [0,1,0,0,0,0|2,0,1]=4 142 B17R2.71168 COc1ccnc(c1N(C)c2nnco2)C 22fd30a3a8b8b37366fdebe3c7b6c58a [0,1,0,0,0,0|2,0,1]=4 143 B17R2.71168 COc1nccc(c1N(C)c2nnco2)C 6ce3de06b615e8b4fd2db5fc694f07e9 [0,1,0,0,0,0|2,0,1]=4 144 B17R2.71168 CSc1cccc(c1N(C)c2nnco2)C 38c7ff19dff78739b0326475df142ec4 [0,1,0,0,0,0|1,1,1]=4 145 B17R2.71187 CCc1cccc(c1Nc2ncc(o2)C)C f762bd1e3fd2890f2f6289c9f04bd69b [0,1,0,0,0,0|1,0,2]=4 146 B17R2.71187 CCc1cccc(c1Nc2nnc(o2)C)C 5199aba514eb682353a16e97f9bb0242 [0,1,0,0,0,0|2,0,1]=4 147 B17R2.71187 COc1cccc(c1NC2CCC(C2)C)C 6a1228277e2e2d0cf8e3a7ff5beafe3e [0,1,0,0,0,0|2,0,1]=4 148 B17R2.71187 COc1cccc(c1NC2CCC(C2)O)C 65cbd6d303aaa1f54121e3c9caf3ac88 [0,1,0,0,0,0|2,0,1]=4 149 B17R2.71187 COc1cccc(c1N[C@@H]2CC[C@@H](C2)O)C 73a08626e7654bc37949d66005b70692 [0,1,0,0,0,0|2,0,1]=4 150 B17R2.71187 COc1cccc(c1N[C@@H]2CC[C@H](C2)O)C 82c1f33d1d9247c8b0862f1bcdf599bc [0,1,0,0,0,0|2,0,1]=4 151 B17R2.71187 COc1cccc(c1N[C@H]2CC[C@@H](C2)O)C 585a4b6e6b357305af5d9246b1e7c03f [0,1,0,0,0,0|2,0,1]=4 152 B17R2.71187 COc1cccc(c1N[C@H]2CC[C@H](C2)O)C f2ee8d79e35c3f0e662d570bf8c2fe7d [0,1,0,0,0,0|2,0,1]=4 153 B17R2.71187 COc1cccc(c1Nc2cc(=O)[nH]o2)C b1e965343e93d6111ac4144209135203 [0,1,0,0,0,0|2,0,1]=4 154 B17R2.71187 COc1cccc(c1Nc2cc([nH]n2)F)C a928a21226eee490d2425d9c757fac94 [0,1,0,0,0,0|2,0,1]=4 155 B17R2.71187 COc1cccc(c1Nc2ccc(o2)C)C 88ab7a8f9c2f4c9a5340863371454391 [0,1,0,0,0,0|1,0,2]=4 156 B17R2.71187 COc1cccc(c1Nc2coc(n2)N)C 26dc4d13c51faff19f534f242c519c1b [0,1,0,0,0,0|2,0,1]=4 157 B17R2.71187 COc1cccc(c1Nc2n[nH]c(=O)[nH]2)C 75e95f58b1de893db36f07b36cb30b1b [0,1,0,0,0,0|2,0,1]=4 158 B17R2.71187 COc1cccc(c1Nc2nc(n[nH]2)C)C aa87f897a51f4fbbeac9ef58f97c966b [0,1,0,0,0,0|2,0,1]=4 159 B17R2.71187 COc1cccc(c1Nc2ncc([nH]2)C)C 99cd290accd6f0067cc2f484d2a72e06 [0,1,0,0,0,0|1,0,2]=4 160 B17R2.71187 COc1cccc(c1Nc2ncc(o2)C)C bfe03a7fa0683e8e027c455730e415b6 [0,1,0,0,0,0|0,0,2]=3 161 B17R2.71187 COc1cccc(c1Nc2nnc(o2)C)C a7fa9bc4a30310a46e312672768b9c66 [0,1,0,0,0,0|1,0,1]=3 162 B17R2.71187 COc1cccc(c1Nc2nnc(o2)C)S b032fce0100522d2b2aa029f5e21a06e [0,1,0,0,0,0|2,0,1]=4 163 B17R2.71187 COc1cccc(c1Nc2nnc(s2)C)C 7b882f9d09e6e6827cd2b276250326f4 [0,1,0,0,0,0|1,1,1]=4 164 B17R2.71187 COc1nccc(c1Nc2ncc(o2)C)C c2f76d51af0860947b5cac7861e2ad8f [0,1,0,0,0,0|1,0,2]=4 165 B17R2.71187 COc1nccc(c1Nc2nnc(o2)C)C f2b05dafc5fa7f0db887c33a5b542de5 [0,1,0,0,0,0|2,0,1]=4 166 B17R2.71188 COc1cccc(c1NC2CCCC2=O)C 7b0a9d8dcc1a75c90ab322c7ff3ac494 [0,1,0,0,0,0|2,0,1]=4 167 B17R2.71188 COc1cccc(c1Nc2n[nH]cc2C)C 3baca98de58d46e6e572ebc8545c1d0c [0,1,0,0,0,0|2,0,1]=4 168 B17R2.71188 COc1cccc(c1Nc2nccn2C)C f97f2510c2e837d234cddb307d658abd [0,1,0,0,0,0|1,0,2]=4 169 B17R2.71188 COc1cccc(c1Nc2nncn2C)C a623b09421d0e7cfea25bac9e6cf4194 [0,1,0,0,0,0|2,0,1]=4 170 B17R2.71188 COc1cccc(c1Nc2nnnn2C)C 28a37560d4919e323dbd322775235da5 [0,1,0,0,0,0|3,0,0]=4 171 B17R2.71188 COc1cccc(c1Nc2nocc2C)C d8c4bbb4d75fb3f3c9ad192bfc64f0ef [0,1,0,0,0,0|2,0,1]=4 172 B17R2.71190 CCc1cccc(c1Nc2ncco2)CC cc4fee99db84c571c5d45d82ef4ffc03 [0,1,0,0,0,0|1,0,2]=4 173 B17R2.71190 CCc1cccc(c1Nc2nnco2)CC f22261ccd2950ee5672314d4358b06f8 [0,1,0,0,0,0|2,0,1]=4 174 B17R2.71190 CCc1ccnc(c1Nc2ncco2)OC 36e12d81c4c8450fdfaa919fe91ad6ff [0,1,0,0,0,0|1,0,2]=4 175 B17R2.71190 COc1cccc(c1NC2CCCC2)CO 683007d17cac7937bbd90f92c63af3ca [0,1,0,0,0,0|2,0,1]=4 176 B17R2.71190 COc1cccc(c1Nc2c[nH]cn2)CO c3a2bb97239b4e6a852eec947ab63727 [0,1,0,0,0,0|2,0,1]=4 177 B17R2.71190 COc1cccc(c1Nc2c[nH]cn2)OC dc143af1c703bc36d5bec9e055fb1f4b [0,1,0,0,0,0|2,0,1]=4 178 B17R2.71190 COc1cccc(c1Nc2c[nH]cn2)SC 2d9a11d42d93df91b3d1804b77bc7d24 [0,1,0,0,0,0|2,0,1]=4 179 B17R2.71190 COc1cccc(c1Nc2cc[nH]n2)CF bee74850e09aefc70f8f4bba74b0346a [0,1,0,0,0,0|2,0,1]=4 180 B17R2.71190 COc1cccc(c1Nc2cc[nH]n2)CO a99b790c3192d9e855e142c63a137ba7 [0,1,0,0,0,0|2,0,1]=4 181 B17R2.71190 COc1cccc(c1Nc2cc[nH]n2)OC f76c8e1b2a764003b2b3e3ef50031701 [0,1,0,0,0,0|2,0,1]=4 182 B17R2.71190 COc1cccc(c1Nc2ccco2)CO dd03c49955f2fcfad8193854a1c78022 [0,1,0,0,0,0|1,0,2]=4 183 B17R2.71190 COc1cccc(c1Nc2ccco2)OC 495866d1b77c77b2cde875b05ab2dc36 [0,1,0,0,0,0|1,0,2]=4 184 B17R2.71190 COc1cccc(c1Nc2ccno2)CF 7f08a806b6c476272b08594a0df70f24 [0,1,0,0,0,0|2,0,1]=4 185 B17R2.71190 COc1cccc(c1Nc2ccno2)CO 615d9cb4551fdc29140e1cf34b2756cf [0,1,0,0,0,0|2,0,1]=4 186 B17R2.71190 COc1cccc(c1Nc2ccno2)OC e944fc7f19831b8efe2406d79fabda03 [0,1,0,0,0,0|2,0,1]=4 187 B17R2.71190 COc1cccc(c1Nc2ccno2)SC c4d1716a9cc983632f32439ed65de375 [0,1,0,0,0,0|2,0,1]=4 188 B17R2.71190 COc1cccc(c1Nc2ccon2)CF 9a8e5e8d1cefeae6e35894ec19b922ee [0,1,0,0,0,0|2,0,1]=4 189 B17R2.71190 COc1cccc(c1Nc2ccon2)CO c451ac7773277f9441a943a203bb0ca4 [0,1,0,0,0,0|2,0,1]=4 190 B17R2.71190 COc1cccc(c1Nc2cnon2)CF e14bb03f931477bd5e46958aacda6477 [0,1,0,0,0,0|3,0,0]=4 191 B17R2.71190 COc1cccc(c1Nc2cnon2)CO a1b569d14fbb249d93b1f7a6af8f1d2a [0,1,0,0,0,0|3,0,0]=4 192 B17R2.71190 COc1cccc(c1Nc2cnon2)OC cd6a63359dd4ea338eab7b4199308548 [0,1,0,0,0,0|3,0,0]=4 193 B17R2.71190 COc1cccc(c1Nc2cnon2)SC 70e7517e82d65740805b719c1d146f3c [0,1,0,0,0,0|3,0,0]=4 194 B17R2.71190 COc1cccc(c1Nc2cocn2)CF bc7b4728fbcfc9d4f989de95ebce1751 [0,1,0,0,0,0|2,0,1]=4 195 B17R2.71190 COc1cccc(c1Nc2cocn2)CO c216b161a0c727fbdc0945ad29d0e6c5 [0,1,0,0,0,0|2,0,1]=4 196 B17R2.71190 COc1cccc(c1Nc2cocn2)OC 91e7471bf5396d53be951734870270d3 [0,1,0,0,0,0|2,0,1]=4 197 B17R2.71190 COc1cccc(c1Nc2cocn2)SC c6c2471685b7c6c6dfdf73aa0ce1f038 [0,1,0,0,0,0|2,0,1]=4 198 B17R2.71190 COc1cccc(c1Nc2cscn2)CF 82243267419d290df262760ea92ec1ba [0,1,0,0,0,0|2,0,1]=4 199 B17R2.71190 COc1cccc(c1Nc2cscn2)CO 7f0f02a194e3d9c3748f8f98a716509f [0,1,0,0,0,0|2,0,1]=4 200 B17R2.71190 COc1cccc(c1Nc2cscn2)OC fa24249ff9d36780398bb8143ba0e274 [0,1,0,0,0,0|2,0,1]=4 201 B17R2.71190 COc1cccc(c1Nc2ncco2)C=O de550974438eeb6283419d30796c15fd [0,1,0,0,0,0|0,0,3]=4 202 B17R2.71190 COc1cccc(c1Nc2ncco2)CO 59e13c7d48a51690158d12a248e78d50 [0,1,0,0,0,0|0,0,2]=3 203 B17R2.71190 COc1cccc(c1Nc2ncco2)OC 5b407d6a0a6dceac36cd95b4802852bc [0,1,0,0,0,0|0,0,2]=3 204 B17R2.71190 COc1cccc(c1Nc2ncco2)SC de69e93f0f6f02d94b5050c1bf911ff8 [0,1,0,0,0,0|0,0,2]=3 205 B17R2.71190 COc1cccc(c1Nc2nccs2)CO 1044a0e5b3105ef2150fe31880017830 [0,1,0,0,0,0|0,1,2]=4 206 B17R2.71190 COc1cccc(c1Nc2nccs2)OC e549e81833daabc6b60261a65aa8da21 [0,1,0,0,0,0|0,1,2]=4 207 B17R2.71190 COc1cccc(c1Nc2nccs2)SC 874454cc4058b0c0259adda16a1f57b6 [0,1,0,0,0,0|0,1,2]=4 208 B17R2.71190 COc1cccc(c1Nc2ncns2)CO 2e59272cde994b7a99c302a467874f31 [0,1,0,0,0,0|1,1,1]=4 209 B17R2.71190 COc1cccc(c1Nc2nnco2)C=O e28640854815c2d7a79a9d9e9b5dc29f [0,1,0,0,0,0|1,0,2]=4 210 B17R2.71190 COc1cccc(c1Nc2nnco2)CF cf44d57496159c99a8bb318d4cd622a7 [0,1,0,0,0,0|1,0,1]=3 211 B17R2.71190 COc1cccc(c1Nc2nnco2)CO cca9b330aad41b3cd9e721381f4d2639 [0,1,0,0,0,0|1,0,1]=3 212 B17R2.71190 COc1cccc(c1Nc2nnco2)OC fa8ad10cca1f0d871bb18888263ce965 [0,1,0,0,0,0|1,0,1]=3 213 B17R2.71190 COc1cccc(c1Nc2nnco2)SC 39b8ffd7ce12fa388440382b2eaae515 [0,1,0,0,0,0|1,0,1]=3 214 B17R2.71190 COc1cccc(c1Nc2nncs2)CO 0c5873201f605712d36c7053aaac19d3 [0,1,0,0,0,0|1,1,1]=4 215 B17R2.71190 COc1cccc(c1Nc2nnns2)CO 55e37e29c3704b8b9dd5966ccae1d310 [0,1,0,0,0,0|2,1,0]=4 216 B17R2.71190 COc1cncc(c1Nc2ncco2)OC e27def1d4161575bbc299f3dbdede860 [0,1,0,0,0,0|1,0,2]=4 217 B15R1.1606 CCC(CC)Nc1c(cccc1OC)C c84ab94416e7033d1c5f9d3622e14c8d [0,0,1,0,0,0|2,0,1]=4 218 B15R1.2560 C/C=C/C(=O)Nc1c(cccc1OC)C 7af5f11c07b9f3cb5f6ec3a2117b86d9 [0,0,1,0,0,0|1,0,2]=4 219 B15R1.2560 CCCC(=O)Nc1c(cccc1CC)C cbb9180e587b16e50130abe42d9676a5 [0,0,1,0,0,0|2,0,1]=4 220 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)C bb40c9c9b383bbb52569515b7f43f1c9 [0,0,1,0,0,0|1,0,1]=3 221 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Cl f9934f72439300c5eb8594782d8c5d1f [0,0,1,0,0,0|2,0,1]=4 222 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)I 759d11f32a1e1c0fb0c23c9c1365416a [0,0,1,0,0,0|2,0,1]=4 223 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)O b75828d13bc750badf220b2217eaf067 [0,0,1,0,0,0|2,0,1]=4 224 B15R1.2560 CCCC(=O)Nc1c(ccnc1OC)C 5c6ff2b51686d994ab93abfe5209c2d0 [0,0,1,0,0,0|2,0,1]=4 225 B15R1.2560 COCC(=O)Nc1c(cccc1OC)C 28c02dcfccc1ca7089d0630f49f9f520 [0,0,1,0,0,0|2,0,1]=4 226 B15R1.2560 COc1cccc(c1NC(=O)CCS)C de3bd1e0db382c38822e6998545351ed [0,0,1,0,0,0|2,0,1]=4 227 B15R1.9184 CCCCCNc1c(cccc1OC)C f1c6926f08d10d6957b1bca790d7a630 [0,0,1,0,0,0|2,0,1]=4 228 B15R1.9184 CCc1cccc(c1NCCCCO)C 345dc50a778e1c7595f9e7218d310316 [0,0,1,0,0,0|2,0,1]=4 229 B15R1.9184 COc1cccc(c1CNCCCO)C 09e62e7d3a836dc0b0d8113fd2894a70 [0,0,1,0,0,0|3,0,0]=4 230 B15R1.9184 COc1cccc(c1NCCCCCl)C e8c9e00dfee01404beb0f4febad5d290 [0,0,1,0,0,0|2,0,1]=4 231 B15R1.9184 COc1cccc(c1NCCCCF)C c8c2ab18a6c67eeab430c2af91e605f4 [0,0,1,0,0,0|2,0,1]=4 232 B15R1.9184 COc1cccc(c1NCCCCO)Br a9bf92a7f7b3184c18ab07218e2d3e37 [0,0,1,0,0,0|2,0,1]=4 233 B15R1.9184 COc1cccc(c1NCCCCO)C a3f10bdeb981afa8bb38d00156292205 [0,0,1,0,0,0|1,0,1]=3 234 B15R1.9184 COc1cccc(c1NCCCCO)Cl cda7051b576e6c3ac68564cd2390673e [0,0,1,0,0,0|2,0,1]=4 235 B15R1.9184 COc1cccc(c1NCCCCO)F 5224f6a9300558a079f7a618294d17b4 [0,0,1,0,0,0|2,0,1]=4 236 B15R1.9184 COc1cccc(c1NCCCCO)I cbb0c1c1c434e516b685d7d095193e7d [0,0,1,0,0,0|2,0,1]=4 237 B15R1.9184 COc1cccc(c1NCCCCO)S d61dc16764322281c0aa099fe066c90e [0,0,1,0,0,0|2,0,1]=4 238 B15R1.9184 COc1nccc(c1NCCCCO)C 846d8bdb94adb150331588173c24dbc7 [0,0,1,0,0,0|2,0,1]=4 239 B15R1.9184 CSc1cccc(c1NCCCCO)C ef7925be599f62428e52498825b8e308 [0,0,1,0,0,0|1,1,1]=4 240 B15R2.2453 CCc1cccc(c1NC2CCC2)C f37fc20df765bdfac7e43e79d1dc5d7b [0,0,0,0,1,0|2,0,1]=4 241 B15R2.2453 COc1cccc(c1CN2CCC2)C 57c8f47789e98f111e8a1be1337b7850 [0,0,0,0,1,0|3,0,0]=4 242 B15R2.2493 CCc1cccc(c1c2ncco2)C c25ca268e46c80d1cb598ecd61884439 [0,0,0,0,1,0|1,0,2]=4 243 B15R2.2493 CCc1cccc(c1c2nnco2)C f557af7eafcfefc2e318945ff35d4808 [0,0,0,0,1,0|2,0,1]=4 244 B15R2.2493 COc1cccc(c1c2c[nH]cn2)C 506b9a0c4d3b3b6da1af876291e7e44d [0,0,0,0,1,0|2,0,1]=4 245 B15R2.2493 COc1cccc(c1c2c[nH]nn2)C 7bdce50ea5f5c64b4522866704ccaa69 [0,0,0,0,1,0|3,0,0]=4 246 B15R2.2493 COc1cccc(c1c2ccco2)C a8dadd49329ae1c9a0f273378737718c [0,0,0,0,1,0|1,0,2]=4 247 B15R2.2493 COc1cccc(c1c2ccno2)C 1f3df2ca69d9c926f62bc7e1b2863c32 [0,0,0,0,1,0|2,0,1]=4 248 B15R2.2493 COc1cccc(c1c2ccon2)C 7d3be26621b332fbac3bb2156db814c3 [0,0,0,0,1,0|2,0,1]=4 249 B15R2.2493 COc1cccc(c1c2ccsn2)C 316ea61809b85dbdc40df4ee657bf151 [0,0,0,0,1,0|2,0,1]=4 250 B15R2.2493 COc1cccc(c1c2cnsn2)C c10b84de006f143b3a32635f7b8c241d [0,0,0,0,1,0|3,0,0]=4 251 B15R2.2493 COc1cccc(c1c2cocn2)C 8e56580bee0eb58aacc9c8020811c5e2 [0,0,0,0,1,0|2,0,1]=4 252 B15R2.2493 COc1cccc(c1c2cscn2)C 40c1df978777458487dae14102f8f110 [0,0,0,0,1,0|2,0,1]=4 253 B15R2.2493 COc1cccc(c1c2csnn2)C 9bf125cb95855de3830c3e7f5416a3d0 [0,0,0,0,1,0|3,0,0]=4 254 B15R2.2493 COc1cccc(c1c2nc[nH]n2)C 927cf757c6b5a13d8c1d755285a5019c [0,0,0,0,1,0|2,0,1]=4 255 B15R2.2493 COc1cccc(c1c2ncc[nH]2)C f3bd3d47d19d2af4448fa15915cbe6b1 [0,0,0,0,1,0|1,0,2]=4 256 B15R2.2493 COc1cccc(c1c2ncco2)Br 5d0ea057cd17593948da0498d0bbc2ed [0,0,0,0,1,0|1,0,2]=4 257 B15R2.2493 COc1cccc(c1c2ncco2)C 8e9fc215ede634ffc669a02948d794be [0,0,0,0,1,0|0,0,2]=3 258 B15R2.2493 COc1cccc(c1c2ncco2)Cl de452fd95fc0e4011af5c5b51f2bc264 [0,0,0,0,1,0|1,0,2]=4 259 B15R2.2493 COc1cccc(c1c2ncco2)F ff3a7246c079e25a6932eee8c4460bb5 [0,0,0,0,1,0|1,0,2]=4 260 B15R2.2493 COc1cccc(c1c2nccs2)C fe94f7b5afe7b0ee68e35694eb94852c [0,0,0,0,1,0|0,1,2]=4 261 B15R2.2493 COc1cccc(c1c2ncns2)C 7daf0ed4e6f1a9fb827a730e4608eb7f [0,0,0,0,1,0|1,1,1]=4 262 B15R2.2493 COc1cccc(c1c2ncsn2)C 26a7d3f427049de6a2aa020a2a25e235 [0,0,0,0,1,0|2,0,1]=4 263 B15R2.2493 COc1cccc(c1c2nn[nH]n2)C 2cfaf0ad65f532bbfebcd3579138cb75 [0,0,0,0,1,0|3,0,0]=4 264 B15R2.2493 COc1cccc(c1c2nnco2)C bdbe5f196adf9ca45fc0eb50f4993463 [0,0,0,0,1,0|1,0,1]=3 265 B15R2.2493 COc1cccc(c1c2nnco2)Cl 7e05d1b64022b0d6c4dc20a990d4c4f9 [0,0,0,0,1,0|2,0,1]=4 266 B15R2.2493 COc1cccc(c1c2nnco2)F 158a19b73f98c6e252d2f579f8d91bdb [0,0,0,0,1,0|2,0,1]=4 267 B15R2.2493 COc1cccc(c1c2nnco2)N 215881ca3f1a9657f4ad42ef98721398 [0,0,0,0,1,0|2,0,1]=4 268 B15R2.2493 COc1cccc(c1c2nnco2)O b4583584a30718acd112e60425ee06c2 [0,0,0,0,1,0|2,0,1]=4 269 B15R2.2493 COc1cccc(c1c2nncs2)C 3c307f9341f56d0b1ba89df458363ebb [0,0,0,0,1,0|1,1,1]=4 270 B15R2.2493 COc1ccnc(c1c2nnco2)C 046a720eb8c674520c9def10881b3ccf [0,0,0,0,1,0|2,0,1]=4 271 B15R2.2493 COc1nccc(c1c2ncco2)C ec246b9f80853450a8787e8d80e28018 [0,0,0,0,1,0|1,0,2]=4 272 B15R2.2493 COc1nccc(c1c2nnco2)C 6105fc1134315feefd009ac8590efadc [0,0,0,0,1,0|2,0,1]=4 273 B15R2.2493 CSc1cccc(c1c2nnco2)C ab37ce83a3da7c7fbf2db86f26778a8a [0,0,0,0,1,0|1,1,1]=4 274 B17R2.1791 COc1cccc(c1CN2CCCOC2)C 97a01f831f9a020a7be857a79cea68cf [0,0,0,0,0,1|3,0,0]=4 275 B17R2.1791 COc1cccc(c1NC2C=CCCC2)C 750d100b1fdf3f4475f609d60fce01fa [0,0,0,0,0,1|2,0,1]=4 276 B17R2.1791 COc1cccc(c1Nc2cccnc2)C 4f5f9a50e7b3e38ff0f1e84f609f764e [0,0,0,0,0,1|1,0,2]=4 277 B17R2.1791 COc1cccc(c1Nc2cccnn2)C e9503496c7a2e97ec96684a5db46c9b6 [0,0,0,0,0,1|1,0,2]=4 278 B17R2.1791 COc1cccc(c1Nc2cnccn2)C 815c856235c5e8fa9c75ad215f7d980b [0,0,0,0,0,1|1,0,2]=4 279 B17R2.1791 COc1cccc(c1Nc2nccnn2)C b14ec841173d8042f162b9c096571de9 [0,0,0,0,0,1|1,0,2]=4 280 B17R2.1791 COc1cccc(c1OC2CCCCO2)C fc810f819f0f391ebc3ad53adf4b12b7 [0,0,0,0,0,1|2,0,1]=4 281 B17R2.71328 CCc1cccc(c1NCC2CCCO2)C dd2fe0e4c6b87dc5fc99191eefefe7ff [0,0,0,0,0,1|2,0,1]=4 282 B17R2.71328 CCc1cccc(c1NC[C@@H]2CCCO2)C adac773df996977ef7f6510744b5341f [0,0,0,0,0,1|2,0,1]=4 283 B17R2.71328 CCc1cccc(c1NC[C@H]2CCCO2)C 75694a8250a884238684902be4896c72 [0,0,0,0,0,1|2,0,1]=4 284 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 59f9dd26358db2474ff87c95dcfdd771 [0,0,0,0,0,1|1,0,2]=4 285 B17R2.71328 CCc1cccc(c1NCc2nnco2)C 46d52cf16fb412404f7c9f0a1f055760 [0,0,0,0,0,1|2,0,1]=4 286 B17R2.71328 COc1cccc(c1CNC2CCCC2)C 9be33555585ded57b53674c40bf100a4 [0,0,0,0,0,1|2,0,1]=4 287 B17R2.71328 COc1cccc(c1CNc2c[nH]cn2)C 9131033746a8d0a9abf02b4cd79677d8 [0,0,0,0,0,1|2,0,1]=4 288 B17R2.71328 COc1cccc(c1CNc2cc[nH]n2)C d75c2fbf17bcd182d3619f19622f75ee [0,0,0,0,0,1|2,0,1]=4 289 B17R2.71328 COc1cccc(c1CNc2ccco2)C 12d09bd58bbf5778996147874fc572d7 [0,0,0,0,0,1|1,0,2]=4 290 B17R2.71328 COc1cccc(c1CNc2ccno2)C da9d3e2d84add44a378299490c359b39 [0,0,0,0,0,1|2,0,1]=4 291 B17R2.71328 COc1cccc(c1CNc2ccon2)C 98051cd27f26c6a3cbcf77d45c00f100 [0,0,0,0,0,1|2,0,1]=4 292 B17R2.71328 COc1cccc(c1CNc2ccsn2)C 3f5ce47b1a111d924d0cbdc6a7e18065 [0,0,0,0,0,1|2,0,1]=4 293 B17R2.71328 COc1cccc(c1CNc2cnon2)C 5b8e76c4a764bc68f4f29b5ed030bf01 [0,0,0,0,0,1|3,0,0]=4 294 B17R2.71328 COc1cccc(c1CNc2cnsn2)C b7c20ea54e4307b0b97a21c5c0d3bc6d [0,0,0,0,0,1|3,0,0]=4 295 B17R2.71328 COc1cccc(c1CNc2cocn2)C a115c33030ac8b20f1369841b67c86ce [0,0,0,0,0,1|2,0,1]=4 296 B17R2.71328 COc1cccc(c1CNc2cscn2)C aa4b9e6690f273e2ecb171046e5dd88c [0,0,0,0,0,1|2,0,1]=4 297 B17R2.71328 COc1cccc(c1CNc2nc[nH]n2)C 7da0688348b857846b2f73c3b5c13679 [0,0,0,0,0,1|2,0,1]=4 298 B17R2.71328 COc1cccc(c1CNc2ncc[nH]2)C ea7bd04d6c8d6172f44ec452c8fbd3c1 [0,0,0,0,0,1|1,0,2]=4 299 B17R2.71328 COc1cccc(c1CNc2ncco2)C 9748a1a2d640d8cf69f006df4756fd9e [0,0,0,0,0,1|0,0,2]=3 300 B17R2.71328 COc1cccc(c1CNc2ncco2)Cl dd026a7e995d9da2b3bffeb0910b617b [0,0,0,0,0,1|1,0,2]=4 301 B17R2.71328 COc1cccc(c1CNc2ncco2)F ff3be7e53875abd1415af0b7f79cd9ed [0,0,0,0,0,1|1,0,2]=4 302 B17R2.71328 COc1cccc(c1CNc2nccs2)C 0d4f15248a1b530b143fb6ea29b7c121 [0,0,0,0,0,1|0,1,2]=4 303 B17R2.71328 COc1cccc(c1CNc2ncns2)C 0e1db4746a39e4f7b4cd86b4a7cd684d [0,0,0,0,0,1|1,1,1]=4 304 B17R2.71328 COc1cccc(c1CNc2ncon2)C ceb56e68747b0efef57b7d54d084c8a1 [0,0,0,0,0,1|2,0,1]=4 305 B17R2.71328 COc1cccc(c1CNc2ncsn2)C c06ce9b5c6ff2c8d8706a7e548674fe0 [0,0,0,0,0,1|2,0,1]=4 306 B17R2.71328 COc1cccc(c1CNc2nn[nH]n2)C ac047bb4a18d6e0eff1f5b65e95b6740 [0,0,0,0,0,1|3,0,0]=4 307 B17R2.71328 COc1cccc(c1CNc2nnco2)C c3a20e3091c14b35092ce93a2c15344a [0,0,0,0,0,1|1,0,1]=3 308 B17R2.71328 COc1cccc(c1CNc2nnco2)Cl 1aa29e4f1c568ce553313703478cdb13 [0,0,0,0,0,1|2,0,1]=4 309 B17R2.71328 COc1cccc(c1CNc2nnco2)F a53d7c4e5d3ae90b5dd85534601a0a15 [0,0,0,0,0,1|2,0,1]=4 310 B17R2.71328 COc1cccc(c1CNc2nncs2)C 878c49f68311ff33911e99dfdca9e0a9 [0,0,0,0,0,1|1,1,1]=4 311 B17R2.71328 COc1cccc(c1CNc2nnns2)C 36fcc49071553766dc1059a090ac49d9 [0,0,0,0,0,1|2,1,0]=4 312 B17R2.71328 COc1cccc(c1COC2CCCO2)C 3f0af3bd14fcb4a792d7bf64fc9764b5 [0,0,0,0,0,1|2,0,1]=4 313 B17R2.71328 COc1cccc(c1NCC2=CCCC2)C 8861c654403c30d21c79e0083e5e4bfa [0,0,0,0,0,1|2,0,0]=3 314 B17R2.71328 COc1cccc(c1NCC2=CCCC2)Cl 8093600092c282eb17b006c6e57519af [0,0,0,0,0,1|3,0,0]=4 315 B17R2.71328 COc1cccc(c1NCC2=CCCC2)F f476853c356455ad0bab3ea8c7ab0fdf [0,0,0,0,0,1|3,0,0]=4 316 B17R2.71328 COc1cccc(c1NCC2=CCCC2)I 83eb41cd40b5826ec588a66679514e33 [0,0,0,0,0,1|3,0,0]=4 317 B17R2.71328 COc1cccc(c1NCC2=CCCC2)S 8a6f12573b8bfdb4ae38cf7bd32f65a7 [0,0,0,0,0,1|3,0,0]=4 318 B17R2.71328 COc1cccc(c1NCC2CCCC2)C f8c22d8ae85a8ca36fee99b6fe159467 [0,0,0,0,0,1|2,0,1]=4 319 B17R2.71328 COc1cccc(c1NCC2CCCO2)C f5168347994f9bfa9a776b6abd3f73e2 [0,0,0,0,0,1|1,0,1]=3 320 B17R2.71328 COc1cccc(c1NCC2CCCO2)Cl c7f07e4cb41ced35bd949cef07bb588b [0,0,0,0,0,1|2,0,1]=4 321 B17R2.71328 COc1cccc(c1NCC2CCCO2)F 27abf73c831cb5cfdff2b272529a56f2 [0,0,0,0,0,1|2,0,1]=4 322 B17R2.71328 COc1cccc(c1NCC2CCCO2)I 6bf7da926de69eb8988a2e83b1f5ba0b [0,0,0,0,0,1|2,0,1]=4 323 B17R2.71328 COc1cccc(c1NCC2CCCO2)S 17a8d723fe0d92afd90461f79a9b52a5 [0,0,0,0,0,1|2,0,1]=4 324 B17R2.71328 COc1cccc(c1NCc2ccco2)C b99c9eb30a9587effdc78fedd5208581 [0,0,0,0,0,1|1,0,2]=4 325 B17R2.71328 COc1cccc(c1NCc2ccno2)C 41e3cdf52492830655218c23008adc57 [0,0,0,0,0,1|2,0,1]=4 326 B17R2.71328 COc1cccc(c1NCc2ccon2)C 700a1a16a0caeb7775d9e66c03072bd0 [0,0,0,0,0,1|2,0,1]=4 327 B17R2.71328 COc1cccc(c1NCc2cocn2)C 02edd3f4e2c517cbd3775a8ba95f7f89 [0,0,0,0,0,1|2,0,1]=4 328 B17R2.71328 COc1cccc(c1NCc2cscn2)C b2a80c8a93398a478a282d6304d422df [0,0,0,0,0,1|2,0,1]=4 329 B17R2.71328 COc1cccc(c1NCc2nc[nH]n2)C e8473b5cbcdab9682dd9aacb167aa49b [0,0,0,0,0,1|2,0,1]=4 330 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 2f1efa637ec8875e1502b7bdac677e38 [0,0,0,0,0,1|1,0,2]=4 331 B17R2.71328 COc1cccc(c1NCc2ncco2)Br d9708fecee611de3e9799b29017403bc [0,0,0,0,0,1|1,0,2]=4 332 B17R2.71328 COc1cccc(c1NCc2ncco2)C d06e7df53a4f68702eeca93cc449b007 [0,0,0,0,0,1|0,0,2]=3 333 B17R2.71328 COc1cccc(c1NCc2ncco2)Cl d5fc86af065fd3773bb7a6f9db24c8e3 [0,0,0,0,0,1|1,0,2]=4 334 B17R2.71328 COc1cccc(c1NCc2ncco2)F 18d5e0e0bb750255e31dd663ab7df87e [0,0,0,0,0,1|1,0,2]=4 335 B17R2.71328 COc1cccc(c1NCc2ncco2)I 15f6156bf176df9d06f6b668e8d51de5 [0,0,0,0,0,1|1,0,2]=4 336 B17R2.71328 COc1cccc(c1NCc2ncco2)S 13c80d64f123beb0669a51ba83825083 [0,0,0,0,0,1|1,0,2]=4 337 B17R2.71328 COc1cccc(c1NCc2nccs2)C 34e1b8e70062e4043da2550cb2630873 [0,0,0,0,0,1|0,1,2]=4 338 B17R2.71328 COc1cccc(c1NCc2ncon2)C ae9c23e2176ecf7f04a234f68a27a102 [0,0,0,0,0,1|2,0,1]=4 339 B17R2.71328 COc1cccc(c1NCc2nnco2)C 9c81713edbd891e1b66fb37366bb7423 [0,0,0,0,0,1|1,0,1]=3 340 B17R2.71328 COc1cccc(c1NCc2nnco2)Cl 52031808290a4a202ff0dcd07dbf85fa [0,0,0,0,0,1|2,0,1]=4 341 B17R2.71328 COc1cccc(c1NCc2nnco2)F cad3d5fc4fddd368ca68d449fc99084c [0,0,0,0,0,1|2,0,1]=4 342 B17R2.71328 COc1cccc(c1NCc2nnco2)I cfac96bfba46981e934fe50cfa34010d [0,0,0,0,0,1|2,0,1]=4 343 B17R2.71328 COc1cccc(c1NCc2nnco2)S d47603388e56219e35e2a8df13db8b42 [0,0,0,0,0,1|2,0,1]=4 344 B17R2.71328 COc1cccc(c1NCc2nnn[nH]2)C 1dc42b240656d95b23778290e9397bb7 [0,0,0,0,0,1|3,0,0]=4 345 B17R2.71328 COc1cccc(c1OCC2CCCO2)C 192051be75d06e5f0836ea66b218f82c [0,0,0,0,0,1|2,0,1]=4 346 B17R2.71328 COc1cccc(c1OCc2ncco2)C 7e07e21c17b685f6c4658ce9f153eb8e [0,0,0,0,0,1|1,0,2]=4 347 B17R2.71328 COc1cccc(c1OCc2ncno2)C 29794ccf0d240db6b04437bd64a5a262 [0,0,0,0,0,1|2,0,1]=4 348 B17R2.71328 COc1cccc(c1OCc2nnco2)C a89857de55f0181cf7ca3ce608336f75 [0,0,0,0,0,1|2,0,1]=4 349 B17R2.71328 COc1nccc(c1CNc2ncco2)C ab4d2345fd2074578deb93f48cc87122 [0,0,0,0,0,1|1,0,2]=4 350 B17R2.71328 COc1nccc(c1CNc2nnco2)C 68ca228d1d9203781536e3aface5f859 [0,0,0,0,0,1|2,0,1]=4 351 B17R2.71328 COc1nccc(c1NCC2=CCCC2)C 6dec015a3266c4a22011eec45dc24067 [0,0,0,0,0,1|3,0,0]=4 352 B17R2.71328 COc1nccc(c1NCC2CCCO2)C 9dffaa93d182b962d85b6f99b58c1c99 [0,0,0,0,0,1|2,0,1]=4 353 B17R2.71328 COc1nccc(c1NCc2ncco2)C ed94fcfa6a8ab6f46a9cf578680ef8de [0,0,0,0,0,1|1,0,2]=4 354 B17R2.71328 COc1nccc(c1NCc2nnco2)C 313e29395d0dbf47b995c1bf0e66aca8 [0,0,0,0,0,1|2,0,1]=4 355 B17R2.71328 CSc1cccc(c1NCC2CCCO2)C 3170e5b5bb6587d424c87fc8e464ea72 [0,0,0,0,0,1|1,1,1]=4 356 B17R2.71328 CSc1cccc(c1NCc2ncco2)C 5683d6021ec9203d947d0a7583e91454 [0,0,0,0,0,1|0,1,2]=4 357 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 7be12dd5b6ae054107770b1cee9b17c2 [1,0,1,0,0,0|1,0,1]=4 358 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 6b1459382e3535a62eafe2836126f7a7 [1,0,1,0,0,0|0,0,1]=3 359 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl e1985a4ee1c039acde4a5a736bb2f479 [1,0,1,0,0,0|1,0,1]=4 360 B14R1.2178 CCC(=O)Nc1c(cccc1OC)I 05b06642dc5c55d2134b5964b170e3cd [1,0,1,0,0,0|1,0,1]=4 361 B14R1.2178 CCC(=O)Nc1c(cccc1OC)O a032367938077821142ee0ef42de95b5 [1,0,1,0,0,0|1,0,1]=4 362 B14R1.2178 CCC(=O)Nc1c(ccnc1OC)C d89944fe09158aa5f2dfa0f58fe51b7e [1,0,1,0,0,0|1,0,1]=4 363 B14R1.965 CCCC(=O)Nc1ccccc1OC de9e0dee90e52698ecf19be82045562f [1,0,1,0,0,0|1,0,1]=4 364 B14R1.3381 CCCCNc1c(cccc1OC)C 9ad469647a8bd9f8b79bf0cab44bd3ae [1,0,1,0,0,0|1,0,1]=4 365 B14R1.3381 CCCOCc1c(cccc1OC)C 4da7cc3a638c84eec76b49e596bec9e7 [1,0,1,0,0,0|1,0,1]=4 366 B14R1.3381 CCOCNc1c(cccc1CC)C e3e9ddc03e18350fdf901bcfb6478848 [1,0,1,0,0,0|1,0,1]=4 367 B14R1.3381 CCOCNc1c(ccnc1OC)C 0b439ac0f5b627a32046f9bd55387707 [1,0,1,0,0,0|1,0,1]=4 368 B14R1.3381 CCOCOc1c(cccc1OC)C 14b84285bc0223f00cb020d709a919f5 [1,0,1,0,0,0|1,0,1]=4 369 B14R1.3381 CCc1cccc(c1NCCCO)C 197b6d89716af7eb400ca06b42fe4675 [1,0,1,0,0,0|1,0,1]=4 370 B14R1.3381 COc1cccc(c1CNCCO)C e11b4b48d63aae25a19a8def179bc90a [1,0,1,0,0,0|0,0,2]=4 371 B14R1.3381 COc1cccc(c1COCCF)C 416a56348d9ec83e9200d8bb37f088c8 [1,0,1,0,0,0|1,0,1]=4 372 B14R1.3381 COc1cccc(c1COCCS)C 5fb683d76601d1394cd25437618ee7fa [1,0,1,0,0,0|1,0,1]=4 373 B14R1.3381 COc1cccc(c1NCCCCl)C bbd7c659471a7cbbf1ee8215fa3d54c1 [1,0,1,0,0,0|1,0,1]=4 374 B14R1.3381 COc1cccc(c1NCCCF)C a258dba7c8fc714659273f6929e23e89 [1,0,1,0,0,0|1,0,1]=4 375 B14R1.3381 COc1cccc(c1NCCCO)Br 2d047ed35c9661bba0ccd15ffc1aab65 [1,0,1,0,0,0|1,0,1]=4 376 B14R1.3381 COc1cccc(c1NCCCO)C 3794e7f918cf529d88f97606f05f9736 [1,0,1,0,0,0|0,0,1]=3 377 B14R1.3381 COc1cccc(c1NCCCO)Cl c2e59d44446e84c4a0d597e1d22e0c96 [1,0,1,0,0,0|1,0,1]=4 378 B14R1.3381 COc1cccc(c1NCCCO)F 8254495a852e8d29603d8c976870b191 [1,0,1,0,0,0|1,0,1]=4 379 B14R1.3381 COc1cccc(c1NCCCO)I b49f29297eff3ca1f4529001abbabffc [1,0,1,0,0,0|1,0,1]=4 380 B14R1.3381 COc1cccc(c1NCCCO)S e82d9cc9e70a288a768ba188d38aa667 [1,0,1,0,0,0|1,0,1]=4 381 B14R1.3381 COc1cccc(c1NCCCS)C 14300bd51ca4b7ce82a8275ab3be0ac0 [1,0,1,0,0,0|0,1,1]=4 382 B14R1.3381 COc1nccc(c1NCCCO)C 6e7941999e968ac6865ef846253a4690 [1,0,1,0,0,0|1,0,1]=4 383 B14R1.3381 CSc1cccc(c1NCCCO)C 5a1bc40fc8c4181cc9bcb58227fbef95 [1,0,1,0,0,0|0,1,1]=4 384 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 2c582e99c1acb5309d4e5c3fbd52da90 [1,0,1,0,0,0|1,0,1]=4 385 B14R1.19171 CCCC(=O)Nc1c(cccc1O)C fe7c4ab63fbce94c95cf7a79a4f03579 [1,0,1,0,0,0|1,0,1]=4 386 B14R1.476 COc1ccccc1NCCCCO d513e85a86f76a2ec7e3dbec1cdfc4eb [1,0,1,0,0,0|1,0,1]=4 387 B14R1.20339 Cc1cccc(c1NCCCCO)C 5943aeeaa3604a56e1b957453176b5cd [1,0,1,0,0,0|1,0,1]=4 388 B16R1.2234 CCCC(=O)Nc1c(cccc1OC)CO c689964f4d897c6ae14057c667da66f5 [0,1,1,0,0,0|1,0,1]=4 389 B16R1.2234 CCCC(=O)Nc1c(cccc1OC)OC bb3bfdd331ce55d5bda4ab040df5d56c [0,1,1,0,0,0|1,0,1]=4 390 B16R1.19758 COc1cccc(c1NC(=O)CC(C)C)C 1a22c2406ab1c6e311aeb65119786635 [0,1,1,0,0,0|1,0,1]=4 391 B16R1.25706 CCCC(=O)Nc1c(cccc1OCC)C 71e5fe927032fc6c43e0f6c866843684 [0,1,1,0,0,0|1,0,1]=4 392 B16R1.71801 CCCC(=O)Nc1c(cc(cc1OC)Br)C e91428081b587b06cb4a588104fa6f0b [0,1,1,0,0,0|1,0,1]=4 393 B16R1.71801 CCCC(=O)Nc1c(cc(cc1OC)Cl)C bcbd5826add3683ae5608b86c1959dff [0,1,1,0,0,0|1,0,1]=4 394 B16R1.86889 C=C(CC)C(=O)Nc1c(cccc1OC)C 6657143ae42ffaad734e4b452f858ba3 [0,1,1,0,0,0|1,0,1]=4 395 B16R1.86889 CCC(O)C(=O)Nc1c(cccc1OC)C 150ffdd3867034e186d354345f518289 [0,1,1,0,0,0|1,0,1]=4 396 B16R1.86889 CCN(C)C(=O)Nc1c(cccc1OC)C c3a460d73ebd9576bfe93c0bd8d8d68f [0,1,1,0,0,0|0,0,2]=4 397 B16R1.86889 CCN(C)C(=S)Nc1c(cccc1OC)C fcfb2d4a02d121a749c03651810beeda [0,1,1,0,0,0|0,1,1]=4 398 B16R1.86889 CC[C@@H](O)C(=O)Nc1c(cccc1OC)C 52f9464dde1aa073dc59e76c494f113e [0,1,1,0,0,0|1,0,1]=4 399 B16R1.86889 CC[C@H](O)C(=O)Nc1c(cccc1OC)C ab6b1d6b553c2e622515ccd9ad29334f [0,1,1,0,0,0|1,0,1]=4 400 B16R1.86889 CC[C@H](S)C(=O)Nc1c(cccc1OC)C 80581edb5c40e6a3ff5bc6a2f83e579e [0,1,1,0,0,0|1,0,1]=4 401 B16R1.91108 CC/C=C/C(=O)Nc1c(cccc1OC)C 6e2050df48b07da54d2051c434b8e06a [0,1,1,0,0,0|1,0,1]=4 402 B16R1.91108 CC/C=C\C(=O)Nc1c(cccc1OC)C cf9d75dbe4311bfd42048ec35213df04 [0,1,1,0,0,0|1,0,1]=4 403 B16R1.91108 CCC=CC(=O)Nc1c(cccc1OC)C 4df42c467512a2abeed8f566587ddc59 [0,1,1,0,0,0|1,0,1]=4 404 B16R1.91108 CCCCC(=O)Nc1c(cccc1OC)C 092e529f5d4ee75c92da7fe7ed0f2b10 [0,1,1,0,0,0|1,0,1]=4 405 B16R1.91108 CCCNC(=S)Nc1c(cccc1OC)C 9d90ced653999fc938774d66ebff4d92 [0,1,1,0,0,0|0,1,1]=4 406 B16R1.91108 CCOCC(=O)Nc1c(cccc1CC)C 00a71b5a527dbe360f5d1b858658ea8f [0,1,1,0,0,0|2,0,0]=4 407 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)C 09b5e503ff5ffa848e05e3513ccaeae4 [0,1,1,0,0,0|1,0,0]=3 408 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Cl 761fbec1c04332a5ed78ee2677d10d80 [0,1,1,0,0,0|2,0,0]=4 409 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)I 83ffd90749785f1dc6e4bd4662fdf9b9 [0,1,1,0,0,0|2,0,0]=4 410 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)O 8053398f2786c7aa14a9255e119c81cf [0,1,1,0,0,0|2,0,0]=4 411 B16R1.91108 CCOCC(=O)Nc1c(cccc1SC)C b17b3f6cbc8fe5a65c7652d0e1248985 [0,1,1,0,0,0|1,1,0]=4 412 B16R1.91108 CCOCC(=O)Nc1c(ccnc1OC)C 5cfe8b78b4e8e2895ce158427bfbf1a1 [0,1,1,0,0,0|2,0,0]=4 413 B16R1.91108 COc1cccc(c1NC(=O)CCCS)C da18180a707efbdc1c11f908346d338e [0,1,1,0,0,0|1,0,1]=4 414 B16R1.91108 COc1cccc(c1NC(=O)NCCO)C 987f881e942acfb951479ce60099fcc1 [0,1,1,0,0,0|0,0,2]=4 415 B16R1.91108 COc1cccc(c1NC(=S)NCCF)C ef147527f01a75c9085032794bb3d9d6 [0,1,1,0,0,0|0,1,1]=4 416 B16R1.91108 COc1cccc(c1NC(=S)NCCN)C f09c7cb46ac8703107064f7a65a334b4 [0,1,1,0,0,0|0,1,1]=4 417 B16R1.91108 COc1cccc(c1NC(=S)NCCO)C 30351a6ed3ddf745f5d9c998c5e84ae5 [0,1,1,0,0,0|0,1,1]=4 418 B16R1.91108 COc1cccc(c1NC(=S)NCCS)C 6580cd8bade435dda644d86c74c85bad [0,1,1,0,0,0|0,1,1]=4 419 B16R1.12686 CCOc1cccc(c1NCCCCO)C 53824a3204cb870bc029f3f509a95c46 [0,1,1,0,0,0|1,0,1]=4 420 B16R1.12687 COc1cccc(c1NCCCCO)CF 816d62c8c224744dfb50e54ab07d1e4a [0,1,1,0,0,0|1,0,1]=4 421 B16R1.12687 COc1cccc(c1NCCCCO)CO a98ef7552389f353042f5f7b734dc6ee [0,1,1,0,0,0|1,0,1]=4 422 B16R1.12687 COc1cccc(c1NCCCCO)OC d2c6dc3dbc467e6496417d637969bf27 [0,1,1,0,0,0|1,0,1]=4 423 B16R1.12687 COc1cccc(c1NCCCCO)SC e52a3e855c079ff5ca081a6280c423ac [0,1,1,0,0,0|1,0,1]=4 424 B16R1.17440 CCC/C=C/CNc1c(cccc1OC)C efa1e79b4f7a8d69615d63480f0a5ecb [0,1,1,0,0,0|2,0,0]=4 425 B16R1.17440 CCC/C=C\CNc1c(cccc1OC)C 8dfa8b0793edf7b28d4cd6144ef88765 [0,1,1,0,0,0|2,0,0]=4 426 B16R1.17440 CCCCOCNc1c(cccc1OC)C 6e440759f6ee0d2cf8ac8bedfaf2e5d8 [0,1,1,0,0,0|1,0,1]=4 427 B16R1.17440 CCCOCCNc1c(cccc1OC)C f11005f13e3dc8122ba27be749ec64ef [0,1,1,0,0,0|1,0,1]=4 428 B16R1.17440 COCCCCNc1c(cccc1OC)C 9dde06ab1f91b4672ae9035727792254 [0,1,1,0,0,0|1,0,1]=4 429 B16R1.17440 COCCOCNc1c(cccc1OC)C 6a1cf08f36c65e0529e6314496cd1314 [0,1,1,0,0,0|1,0,1]=4 430 B16R1.17440 COc1cccc(c1CNCCCCO)C c2d10787c82c33657520cd38ab8fb74f [0,1,1,0,0,0|1,0,1]=4 431 B16R1.17440 COc1cccc(c1NCCCCCO)C 81ce8f190f199318f9b502049870e539 [0,1,1,0,0,0|1,0,1]=4 432 B16R1.17440 COc1cccc(c1NCCCCON)C be818ccfe89a060ff9de38d5169b2f3d [0,1,1,0,0,0|1,0,1]=4 433 B16R1.17440 COc1cccc(c1NCCOCCO)C b06aa3c153c7a930c7be4628cdfcd99a [0,1,1,0,0,0|1,0,1]=4 434 B16R1.17440 COc1cccc(c1NCCOCCS)C ea174ecda740f6747f135d6961cbd8e2 [0,1,1,0,0,0|1,0,1]=4 435 B16R1.19762 COc1cccc(c1NCCCC(C)O)C b399935dc1cee9defb49e39b39e9a0ba [0,1,1,0,0,0|1,0,1]=4 436 B16R1.19772 COc1cccc(c1NCCC(C)CO)C 1f4b54c892c324b62e10f023a9665c89 [0,1,1,0,0,0|1,0,1]=4 437 B16R1.38289 COc1ccc(c(c1NCCCCO)C)Br ef411e2e69ba5a7f80086a8e092e510f [0,1,1,0,0,0|1,0,1]=4 438 B16R1.69463 COc1cccc(c1NC[C@@H](O)CCO)C 9f7db508314890656afd096e2cfda913 [0,1,1,0,0,0|1,0,1]=4 439 B16R1.78516 COc1c(ccc(c1NCCCCO)C)F b5339f23b2ac243bd6cc2b6676c5b2ac [0,1,1,0,0,0|1,0,1]=4 440 B16R1.78658 COc1cc(cc(c1NCCCCO)C)Br e85bc5112d6a32792316851d9fdafbdf [0,1,1,0,0,0|1,0,1]=4 441 B16R1.78658 COc1cc(cc(c1NCCCCO)C)C d42f7975afd855c195284df4d2db8247 [0,1,1,0,0,0|1,0,1]=4 442 B16R1.78658 COc1cc(cc(c1NCCCCO)C)Cl 13f8f8c0bcd70b785e70b19074994d39 [0,1,1,0,0,0|1,0,1]=4 443 B16R2.2450 COc1ccccc1N(C)c2ncco2 501c50792c4aca6d073892f47d45ce9d [1,1,0,0,0,0|0,0,2]=4 444 B16R2.2450 COc1ccccc1N(C)c2nnco2 a145e0a2dcf9a30952dac6a672b68dfd [1,1,0,0,0,0|1,0,1]=4 445 B16R2.2698 COc1c(cccc1Nc2ncco2)C 66e3b5bfdab76e4e84be1096f21f4961 [1,1,0,0,0,0|0,0,2]=4 446 B16R2.2698 COc1c(cccc1Nc2ncco2)O 72c7e7f05f1c38e00a86953c19c9c7ed [1,1,0,0,0,0|0,0,2]=4 447 B16R2.25684 Cc1cccc(c1N(C)c2ncco2)C b495fd2c3014223bad3dd5b0c9ebd263 [1,1,0,0,0,0|0,0,2]=4 448 B16R2.25684 Cc1cccc(c1N(C)c2nnco2)C cc1ad9a287e0bb59dca2f17b5ca7d845 [1,1,0,0,0,0|1,0,1]=4 449 B16R2.26187 Cc1ccc(c(c1Nc2nnco2)C)F ca3e9c5e287c014ce39fd9ba6734faa0 [1,1,0,0,0,0|1,0,1]=4 450 B16R2.20771 CCOc1cccc(c1NC2CCC2)C b972528148e8688ff3308f540061ef01 [0,1,0,0,1,0|1,0,1]=4 451 B16R2.26460 COc1cc(cc(c1NC2CCC2)C)Br cdbc3e245310c8712b6f2c1be7419dad [0,1,0,0,1,0|1,0,1]=4 452 B16R2.201364 COc1cccc(c1NC2CCC2)CO 6c7b2a27bd60dd92857f0b9db8cf16cc [0,1,0,0,1,0|1,0,1]=4 453 B16R2.336 COc1cc(cc(c1c2ncco2)C)Br 9e9a44f4847bc3ad44064e458f7e071d [0,1,0,0,1,0|0,0,2]=4 454 B16R2.336 COc1cc(cc(c1c2ncco2)C)C 6b9e3c237c8967645b5a7b8c6ac38cf6 [0,1,0,0,1,0|0,0,2]=4 455 B16R2.336 COc1cc(cc(c1c2ncco2)C)Cl ef84b7d5acaabef7257e1114ce038775 [0,1,0,0,1,0|0,0,2]=4 456 B16R2.336 COc1cc(cc(c1c2nnco2)C)Br ea287ef14c7817f5ecb2f4aa1f313d11 [0,1,0,0,1,0|1,0,1]=4 457 B16R2.336 COc1cc(cc(c1c2nnco2)C)C a62691becc65207288a0b1c87606b51a [0,1,0,0,1,0|1,0,1]=4 458 B16R2.336 COc1cc(cc(c1c2nnco2)C)Cl 532e684f24ee4c6647299d3d1215fbe5 [0,1,0,0,1,0|1,0,1]=4 459 B16R2.336 COc1cc(cc(c1c2nnco2)C)N 02a7deefd2998f003388b1707cc0478b [0,1,0,0,1,0|1,0,1]=4 460 B16R2.7759 COc1ccc(c(c1c2ncco2)C)F 9885013c37516a2f75b56ea91e2780ec [0,1,0,0,1,0|0,0,2]=4 461 B16R2.7759 COc1ccc(c(c1c2nnco2)C)F 80cb0062b54349e289b3445c1be0006b [0,1,0,0,1,0|1,0,1]=4 462 B16R2.7759 COc1ccc(c(c1c2nnco2)C)N 3d4905a1ee7b3f64536b0fb02abd7957 [0,1,0,0,1,0|1,0,1]=4 463 B16R2.9360 COc1c(ccc(c1c2ncco2)C)Cl 94eeeec0aef7fe4c73c834a18199324d [0,1,0,0,1,0|0,0,2]=4 464 B16R2.9360 COc1c(ccc(c1c2ncco2)C)F c3cbe70ebe48ab0df1bc2fc99d236d6e [0,1,0,0,1,0|0,0,2]=4 465 B16R2.9360 COc1c(ccc(c1c2nnco2)C)Cl dec43d4ab87755d627c811dd7902e752 [0,1,0,0,1,0|1,0,1]=4 466 B16R2.9360 COc1c(ccc(c1c2nnco2)C)F 4a83361990fa1689f80723491d16a2be [0,1,0,0,1,0|1,0,1]=4 467 B16R2.9360 COc1c(ccc(c1c2nnco2)C)O ebb98382745952345809fb9ec75f3e27 [0,1,0,0,1,0|1,0,1]=4 468 B16R2.16577 CCOc1cccc(c1c2nnco2)C d45d83870115d4fafe2cbdb0e7009fab [0,1,0,0,1,0|1,0,1]=4 469 B16R2.37063 COc1cccc(c1c2ncco2)OC b3eacd514e7addef92662bb1af532cae [0,1,0,0,1,0|0,0,2]=4 470 B16R2.37063 COc1cccc(c1c2ncco2)SC 9da7505958d1e525f995cebe9bc90b42 [0,1,0,0,1,0|0,0,2]=4 471 B16R2.37063 COc1cccc(c1c2nnco2)CBr 057838a5482cb5bef3542d5365c6aee3 [0,1,0,0,1,0|1,0,1]=4 472 B16R2.37063 COc1cccc(c1c2nnco2)CF 2c53280f8384cd18cc8a157b72316d93 [0,1,0,0,1,0|1,0,1]=4 473 B16R2.37063 COc1cccc(c1c2nnco2)CN 796ffe4f398b6dfae57dd816c01f96a8 [0,1,0,0,1,0|1,0,1]=4 474 B16R2.37063 COc1cccc(c1c2nnco2)CO e9107f3f893bcd54a6160e5f8ae6b335 [0,1,0,0,1,0|1,0,1]=4 475 B16R2.37063 COc1cccc(c1c2nnco2)OC cfb33268a38fe8183043ada41c545a85 [0,1,0,0,1,0|1,0,1]=4 476 B16R2.37063 COc1cccc(c1c2nnco2)SC 387f7d3a1d74671f540c3782b427680e [0,1,0,0,1,0|1,0,1]=4 477 B16R2.41377 COc1cccc(c1c2nc(co2)C)C ff4431c60d00119d551c6418f3cd11e3 [0,1,0,0,1,0|0,0,2]=4 478 B16R2.41377 COc1cccc(c1c2nc(no2)C)C 9a4ee88a647d2e34266b6f5a67ff9ead [0,1,0,0,1,0|1,0,1]=4 479 B16R2.41377 COc1cccc(c1c2ncc(o2)C)C 3768538604c161815ead5c37ea0f4275 [0,1,0,0,1,0|0,0,2]=4 480 B16R2.41377 COc1cccc(c1c2nnc(o2)C)C 39508cfc9249941526872ab0c4bf7c61 [0,1,0,0,1,0|1,0,1]=4 481 B18R2.5721 CCOc1cccc(c1NC2CCCCO2)C 3c7ab57dee88678b16001ff8e2ac921d [0,1,0,0,0,1|1,0,1]=4 482 B18R2.6611 COc1cc(cc(c1NCC2=CCCC2)C)Br f43d5315a2ebadc3edd1bbe1fabc09d7 [0,1,0,0,0,1|2,0,0]=4 483 B18R2.6611 COc1cc(cc(c1NCC2=CCCC2)C)Cl 253287534adb520ecbd493b37d56022a [0,1,0,0,0,1|2,0,0]=4 484 B18R2.6611 COc1cc(cc(c1NCC2CCCO2)C)Br eb2a23894ba2913f410569a91d77962a [0,1,0,0,0,1|1,0,1]=4 485 B18R2.6611 COc1cc(cc(c1NCC2CCCO2)C)Cl 9217e5a6df8b5515ccbd1cc740b9a752 [0,1,0,0,0,1|1,0,1]=4 486 B18R2.6611 COc1cc(cc(c1NCc2ncco2)C)Br df52cbb058fc0881809e0cd3438a2627 [0,1,0,0,0,1|0,0,2]=4 487 B18R2.6611 COc1cc(cc(c1NCc2ncco2)C)C 8866c5ff1dbe812bb5add59da3019e4d [0,1,0,0,0,1|0,0,2]=4 488 B18R2.6611 COc1cc(cc(c1NCc2ncco2)C)Cl 04664645cb68231e81eb7dc57bda6191 [0,1,0,0,0,1|0,0,2]=4 489 B18R2.6611 COc1cc(cc(c1NCc2nnco2)C)Br 963f9f2b8bad81a6f66a9cd29db0d12e [0,1,0,0,0,1|1,0,1]=4 490 B18R2.26864 COc1c(ccc(c1NCC2CCCO2)C)F 090613b309e8244558a3cb33d0c1a2a8 [0,1,0,0,0,1|1,0,1]=4 491 B18R2.26864 COc1c(ccc(c1NC[C@@H]2CCCO2)C)F d49f3fd31f1bf0486c3191fdcdef982d [0,1,0,0,0,1|1,0,1]=4 492 B18R2.26864 COc1c(ccc(c1NC[C@H]2CCCO2)C)F fa5807a54710d4100f60f21bc246d6b4 [0,1,0,0,0,1|1,0,1]=4 493 B18R2.54646 CCOc1cccc(c1NCC2=CCCC2)C 42f3364094d93a0e788f747c9d134780 [0,1,0,0,0,1|2,0,0]=4 494 B18R2.54646 CCOc1cccc(c1NCC2CCCO2)C b9e16e53170623f87b8b311a52730f17 [0,1,0,0,0,1|1,0,1]=4 495 B18R2.54646 CCOc1cccc(c1NCc2ncco2)C c0d5335d9a48179998c0a4fb24b5f427 [0,1,0,0,0,1|0,0,2]=4 496 B18R2.54646 CCOc1cccc(c1NCc2ncno2)C 44fe0725917beb44d3138c536d248b66 [0,1,0,0,0,1|1,0,1]=4 497 B18R2.54646 CCOc1cccc(c1NCc2nnco2)C f24e0a443520b183b0d4de437e6d12cf [0,1,0,0,0,1|1,0,1]=4 498 B18R2.114337 COc1ccc(c(c1NCC2CCCO2)C)Br 90ea40a66e111e9e6339e222ab553272 [0,1,0,0,0,1|1,0,1]=4 499 B18R2.114337 COc1ccc(c(c1NCc2ncco2)C)Br 9a07ad068a819ba30fa114706f58e94e [0,1,0,0,0,1|0,0,2]=4 500 B18R2.117941 COc1cccc(c1CNc2ncco2)OC 9629dd530e2a6ff05b3acb33f490153a [0,1,0,0,0,1|0,0,2]=4 501 B18R2.117941 COc1cccc(c1CNc2nnco2)OC 76bb1303a9af4f44fb6761eba1c85dd4 [0,1,0,0,0,1|1,0,1]=4 502 B18R2.117941 COc1cccc(c1NCC2=CCCC2)CO 83f195178dc6520036a7e64d60663ee8 [0,1,0,0,0,1|2,0,0]=4 503 B18R2.117941 COc1cccc(c1NCC2=CCCC2)OC 93c4948847b8c5203f711c42eeb7ec3a [0,1,0,0,0,1|2,0,0]=4 504 B18R2.117941 COc1cccc(c1NCC2CCCO2)CO 749f184e5dee91924e4b5863ffbcc14b [0,1,0,0,0,1|1,0,1]=4 505 B18R2.117941 COc1cccc(c1NCC2CCCO2)OC 888892652ca3f1f48457247174620fb1 [0,1,0,0,0,1|1,0,1]=4 506 B18R2.117941 COc1cccc(c1NCC2CCCO2)SC ee76df6e24484087a0a511634da8debf [0,1,0,0,0,1|1,0,1]=4 507 B18R2.117941 COc1cccc(c1NC[C@@H]2CCCO2)CO deaabef43a32bef4f5116906788b3095 [0,1,0,0,0,1|1,0,1]=4 508 B18R2.117941 COc1cccc(c1NC[C@@H]2CCCO2)SC 86a42d8c1d0631144191d831990b1c08 [0,1,0,0,0,1|1,0,1]=4 509 B18R2.117941 COc1cccc(c1NC[C@H]2CCCO2)CO 9eaca4f0a42ee5f880d4b4b424c0c739 [0,1,0,0,0,1|1,0,1]=4 510 B18R2.117941 COc1cccc(c1NC[C@H]2CCCO2)SC 2ebb7d2cecb40e9c4826794fc233ac50 [0,1,0,0,0,1|1,0,1]=4 511 B18R2.117941 COc1cccc(c1NCc2ncco2)CO 10e84069f937480b3db7c0f03ecda0c5 [0,1,0,0,0,1|0,0,2]=4 512 B18R2.117941 COc1cccc(c1NCc2ncco2)OC 04c9738aaa83d6b43ecbc830dd7037c4 [0,1,0,0,0,1|0,0,2]=4 513 B18R2.117941 COc1cccc(c1NCc2ncco2)SC 9ef86c11786652f1673789eb8877a3f9 [0,1,0,0,0,1|0,0,2]=4 514 B18R2.117941 COc1cccc(c1NCc2nnco2)CO a0a8c05f81eb5fad3fdcd99f81cd08e0 [0,1,0,0,0,1|1,0,1]=4 515 B18R2.117941 COc1cccc(c1NCc2nnco2)OC 2aa2e4701184d52923a00b116a08d1ff [0,1,0,0,0,1|1,0,1]=4 516 B18R2.118100 COc1cccc(c1CN(C)c2ncco2)C e08c9b67e4125dfee07c7a95428ccc81 [0,1,0,0,0,1|0,0,2]=4 517 B18R2.118100 COc1cccc(c1CN(C)c2nnco2)C 38b4dc469783155195745e91bcd448c0 [0,1,0,0,0,1|1,0,1]=4 518 B18R2.118100 COc1cccc(c1NC(=O)C2=CCCC2)C f9eef032eefeb67908199788c96ff017 [0,1,0,0,0,1|2,0,0]=4 519 B18R2.118100 COc1cccc(c1NC(=O)c2ncco2)C b78a46548f9765b527a98a05f1fbcb56 [0,1,0,0,0,1|0,0,2]=4 520 B18R2.118100 COc1cccc(c1NC(C)c2nnco2)C 77dc6424b78c008d984da5469edc3474 [0,1,0,0,0,1|1,0,1]=4 521 B18R2.118302 COc1cccc(c1CNc2nc(co2)Br)C 9e7e261a0e049bb18efb7867236d88b5 [0,1,0,0,0,1|0,0,2]=4 522 B18R2.118302 COc1cccc(c1CNc2nc(co2)C)C 825c27c7789e84e7a347c5cbba2f4641 [0,1,0,0,0,1|0,0,2]=4 523 B18R2.118302 COc1cccc(c1CNc2nc(no2)C)C 5c84fa27c2331783758942dbf28fdbb3 [0,1,0,0,0,1|1,0,1]=4 524 B18R2.118302 COc1cccc(c1CNc2ncc(o2)C)C 08a9880f5962fc8ba493fc9cacec9dac [0,1,0,0,0,1|0,0,2]=4 525 B18R2.118302 COc1cccc(c1CNc2nnc(o2)Br)C 04ef64729ee8f04c78e852d8615f9d8b [0,1,0,0,0,1|1,0,1]=4 526 B18R2.118302 COc1cccc(c1CNc2nnc(o2)C)C c5574dcce6bae3345f4779408c0bed9c [0,1,0,0,0,1|1,0,1]=4 527 B18R2.118302 COc1cccc(c1NCc2nc(no2)Br)C 54ff0b5e8e67ff00b51f65906c232223 [0,1,0,0,0,1|1,0,1]=4 528 B18R2.118302 COc1cccc(c1NCc2ncc(o2)Br)C 8e55c5c6746e931343c9b02b26e83e59 [0,1,0,0,0,1|0,0,2]=4 529 B18R2.118302 COc1cccc(c1NCc2nnc(o2)C)C f6be5372dda2882e56dc541ec50eecaa [0,1,0,0,0,1|1,0,1]=4 530 B18R2.2117172 COc1cccc(c1NCC2(CCCO2)C)C 012e188eff84e5451ad3887d985eacb7 [0,1,0,0,0,1|1,0,1]=4 531 B18R2.6610 COc1cc(cc(c1N(C)c2nnco2)C)C dfbc95c0e12bd5a502baf8b7293cd79a [0,2,0,0,0,0|1,0,1]=4 532 B18R2.6632 COc1cc(cc(c1Nc2ncco2)OC)F ce30346189679923179ea97dc5efb63e [0,2,0,0,0,0|0,0,2]=4 533 B18R2.6632 COc1cc(cc(c1Nc2nnco2)OC)C 65be3c98d6ef96f8839814e859fd49ad [0,2,0,0,0,0|1,0,1]=4 534 B18R2.6632 COc1cc(cc(c1Nc2nnco2)OC)F 918cc0f35bf4aee3e4f1bd2a760cb2b8 [0,2,0,0,0,0|1,0,1]=4 535 B18R2.79768 COc1cc(c(c(c1)OC)Nc2nnco2)C c73b838649e0322d7e10e46519181369 [0,2,0,0,0,0|1,0,1]=4 536 B18R2.79768 COc1cc(cc(c1Nc2nnco2)C)C=O e275e02abf21f8142a9179dbd0d13fe6 [0,2,0,0,0,0|1,0,1]=4 537 B18R2.26863 COc1c(ccc(c1N(C)c2nnco2)C)F 3f94636f85a859800f74834069d56944 [0,2,0,0,0,0|1,0,1]=4 538 B18R2.26876 COc1c(ccc(c1Nc2nnc(o2)C)C)F 88d26022e9c83fdb3ec01f5938facbe6 [0,2,0,0,0,0|1,0,1]=4 539 B18R2.44262 CCOc1c(ccc(c1Nc2nnco2)C)F 8d0798c2674258c37ba64423f5fb7ce1 [0,2,0,0,0,0|1,0,1]=4 540 B18R2.44262 COCc1c(ccc(c1Nc2nnco2)C)F 22e064f2a1bbf040aa54df71c8dfbb93 [0,2,0,0,0,0|1,0,1]=4 541 B18R2.114347 COc1ccc(c(c1Nc2nnco2)SC)F 580fbb05f9062d3a36f9aa9b3f423bf8 [0,2,0,0,0,0|1,0,1]=4 542 B18R2.867493 COc1c(ccc(c1Nc2nnco2)C)C=O 6305abc5d43a0ee877a6a700c5a78e64 [0,2,0,0,0,0|1,0,1]=4 543 B18R2.867493 COc1c(ccc(c1Nc2nnco2)C)CO a7fd5f95cb74655726064d6beac00b56 [0,2,0,0,0,0|1,0,1]=4 544 B18R2.117985 COc1cccc(c1Nc2ncco2)C(=O)C 1dab6bf644d2cd910271633344bfea0a [0,2,0,0,0,0|0,0,2]=4 545 B18R2.117985 COc1cccc(c1Nc2ncco2)C(C)C b6268960c5767270772a3af4fd226dac [0,2,0,0,0,0|0,0,2]=4 546 B18R2.117985 COc1cccc(c1Nc2nnco2)C(=O)C 97da260f8d56d4e6d06ca5572f80ba8f [0,2,0,0,0,0|1,0,1]=4 547 B18R2.708447 COC(=O)c1cccc(c1Nc2nnco2)C ba31aa6c65f4671eb1a32ee493f3f084 [0,2,0,0,0,0|1,0,1]=4 548 B18R2.39252 Cc1cccc(c1Nc2ncco2)OC(C)C 6109c1a17856f7e1a36b1a4c85a537cd [0,2,0,0,0,0|0,0,2]=4 549 B18R2.39252 Cc1cccc(c1Nc2nnco2)OC(C)C 5d8c6ab61ede49bdd044ac61eea48b4f [0,2,0,0,0,0|1,0,1]=4 550 B18R2.45808 CCOc1ccc(c(c1Nc2nnco2)C)F 587aa29dc2de0add6969b4e6e3a2a02b [0,2,0,0,0,0|1,0,1]=4 551 B18R2.54661 CCOc1cccc(c1Nc2nnco2)OC ccf5d30d0339977a84519a7859d354f9 [0,2,0,0,0,0|1,0,1]=4 552 B18R2.54661 COCc1cccc(c1Nc2nnco2)OC edde194dc09626519459472f7e4082ff [0,2,0,0,0,0|1,0,1]=4 553 B18R2.54663 CCOc1cccc(c1Nc2ncc(o2)C)C ae41d57ed8ee43a233290c058ad3e595 [0,2,0,0,0,0|0,0,2]=4 554 B18R2.54663 CCOc1cccc(c1Nc2nnc(o2)C)C da292a3f87e543694fb17c8992bb3abc [0,2,0,0,0,0|1,0,1]=4 555 B18R2.91200 COCOc1cccc(c1Nc2nnco2)C 7ded1a9c84a9ba96d9d2214bf97221d1 [0,2,0,0,0,0|1,0,1]=4 556 B18R2.153332 COCc1cccc(c1N(C)c2ncco2)C 75dd4ef48a66a40223442bbd6c58c624 [0,2,0,0,0,0|0,0,2]=4 557 B18R2.153332 COCc1cccc(c1N(C)c2nnco2)C 9b115927a0d37223b508a9859655f439 [0,2,0,0,0,0|1,0,1]=4 558 B18R2.121024 COc1ccc(c(c1N(C)c2nnco2)C)F dc77a4caf6c83ea508f373524fdf4551 [0,2,0,0,0,0|1,0,1]=4 559 B18R2.121086 COc1ccc(c(c1Nc2nnco2)C)C=O 458e27ef310855ac46ec2cfe7ab06ced [0,2,0,0,0,0|1,0,1]=4 560 B18R2.117935 COc1cccc(c1N(C)c2nnco2)CF 83dd222ccc7ebd827ee23dbee99249cd [0,2,0,0,0,0|1,0,1]=4 561 B18R2.117935 COc1cccc(c1N(C)c2nnco2)CO ffed77a8f9775af5bef3e96daf644263 [0,2,0,0,0,0|1,0,1]=4 562 B18R2.117935 COc1cccc(c1N(C)c2nnco2)OC 3fd45c6c58faa844401659271c722ca9 [0,2,0,0,0,0|1,0,1]=4 563 B18R2.117935 COc1cccc(c1N(C)c2nnco2)SC b09d4558bf6d2bbf87d25d62e9a7e630 [0,2,0,0,0,0|1,0,1]=4 564 B18R2.15893 CCc1nnc(o1)Nc2c(cccc2OC)C fd8b937d2386a88134a55e86dc0b0991 [0,2,0,0,0,0|1,0,1]=4 565 B18R2.15893 COc1cccc(c1Nc2nc(co2)C=O)C f1afa753771bcaf306f2bf565fac2620 [0,2,0,0,0,0|0,0,2]=4 566 B18R2.15893 COc1cccc(c1Nc2nc(co2)CO)C 5563d3fb066f47ed08581585fa0816b8 [0,2,0,0,0,0|0,0,2]=4 567 B18R2.15893 COc1cccc(c1Nc2nc(no2)CO)C 5475519d9011f5c1a5aad235fa3491ac [0,2,0,0,0,0|1,0,1]=4 568 B18R2.117982 COc1cccc(c1Nc2ncc(o2)C)CO 8d656682d1159b4463c099941e615a3b [0,2,0,0,0,0|0,0,2]=4 569 B18R2.117982 COc1cccc(c1Nc2ncc(o2)C)OC 6a98bc8a9c9bd3deae91a719f87ed1db [0,2,0,0,0,0|0,0,2]=4 570 B18R2.117982 COc1cccc(c1Nc2nnc(o2)C)CO 58822694febfe83acaa345b0c6291eed [0,2,0,0,0,0|1,0,1]=4 571 B18R2.117982 COc1cccc(c1Nc2nnc(o2)C)OC e8061fdfc84558d2d5574f28fbe85392 [0,2,0,0,0,0|1,0,1]=4 572 B18R2.117990 COc1cccc(c1Nc2nc(c(o2)C)C)C 442c49f7ae88d97eb17b7afad83566f6 [0,2,0,0,0,0|0,0,2]=4 573 B16R2.12230 COc1cccc2c1[nH]c(n2)NCCO 3f4421a9a1423d76190c1dd5bf63598d [0,0,1,1,0,0|1,0,1]=4 574 B16R2.41274 COc1cccc(c1NCC2CCO2)C 5cee91d2ba6e2374ce205ef48299f44b [0,0,1,1,0,0|1,0,1]=4 575 B16R2.41274 COc1cccc(c1NC[C@@H]2CCO2)C e8e2b307816dab62e284df938c8ba5a1 [0,0,1,1,0,0|1,0,1]=4 576 B16R2.41274 COc1cccc(c1NC[C@H]2CCO2)C ccab896a8949a59f62252763db3a14d3 [0,0,1,1,0,0|1,0,1]=4 577 B14R2.98 COc1ccccc1c2ncco2 090054dcd45976d7ce6ce11e8c8af5f6 [1,0,0,0,1,0|0,0,2]=4 578 B14R2.98 COc1ccccc1c2nnco2 ae7f2dd4e6c39ef34a863585f173027c [1,0,0,0,1,0|1,0,1]=4 579 B14R2.9066 Cc1cccc(c1c2ncco2)C ff4070650fd0d0c77ee5c23b283a1960 [1,0,0,0,1,0|0,0,2]=4 580 B14R2.9066 Cc1cccc(c1c2ncco2)O 31739bd9d8f7fb208b67e20c95c3e64b [1,0,0,0,1,0|0,0,2]=4 581 B14R2.9066 Cc1cccc(c1c2nnco2)C adb94f5d5f08776e11d170e5b95aaa8b [1,0,0,0,1,0|1,0,1]=4 582 B14R2.9066 Cc1cccc(c1c2nnco2)O 94e6fda5a5d531de87b2afa304d5c880 [1,0,0,0,1,0|1,0,1]=4 583 B14R2.1201 CCc1cccc(c1NC2CC2)C b9805b2ea46546b1a4394481acceb66c [0,0,0,0,2,0|1,0,1]=4 584 B16R1.19773 COc1cccc(c1NCC(OC)OC)C 3215b0f6b3689e9863584f69ab2faca6 [0,0,1,0,0,1|1,0,1]=4 585 B16R2.1480 COc1ccccc1CNc2ncco2 5a6865ce69d25024b40faa9862c9206c [1,0,0,0,0,1|0,0,2]=4 586 B16R2.1480 COc1ccccc1CNc2nnco2 244dcf7c23e8a6c8a6007b364224d966 [1,0,0,0,0,1|1,0,1]=4 587 B16R2.1480 COc1ccccc1NCC2=CCCC2 8b28cd5df40711f611fbdecdfa6f9eef [1,0,0,0,0,1|2,0,0]=4 588 B16R2.1480 COc1ccccc1NCC2CCCO2 0dade3f82439ffbe72257b849eddc588 [1,0,0,0,0,1|1,0,1]=4 589 B16R2.1480 COc1ccccc1NCc2ncco2 e3f5332952d4323143adf52dd09624fb [1,0,0,0,0,1|0,0,2]=4 590 B16R2.1480 COc1ccccc1NCc2nnco2 cc9090e1c2107321aebfea47109161ea [1,0,0,0,0,1|1,0,1]=4 591 B16R2.25778 Cc1cccc(c1CNc2ncco2)C e6cf75c226215ed23b415481b2d4b8c1 [1,0,0,0,0,1|0,0,2]=4 592 B16R2.25778 Cc1cccc(c1CNc2nnco2)C 23812d62a522536555e49e7a26b3baee [1,0,0,0,0,1|1,0,1]=4 593 B16R2.25778 Cc1cccc(c1NCC2=CCCC2)C a459818791e972bc28c16b3a06fce8a2 [1,0,0,0,0,1|2,0,0]=4 594 B16R2.25778 Cc1cccc(c1NCC2CCCO2)C 56d31274ea3753377df021eb940a5bcb [1,0,0,0,0,1|1,0,1]=4 595 B16R2.25778 Cc1cccc(c1NCc2ncco2)C d8343c4e6ab077570545ad6942319079 [1,0,0,0,0,1|0,0,2]=4 596 B16R2.8382 COc1ccc(c(c1)Nc2ncco2)C 18a8c391ac8d32bfa0b98e9b96e8c5bb [0,0,0,0,1,1|0,0,2]=4 597 B16R2.8382 COc1ccc(c(c1)Nc2nnco2)C d519ae59c3bc511c3cb229c0b3df260d [0,0,0,0,1,1|1,0,1]=4 598 B16R2.8382 COc1ccc(c(n1)Nc2nnco2)C 4cde7604a9d0ca67891ebb4b750bea43 [0,0,0,0,1,1|1,0,1]=4 599 B18R2.1451 COc1cccc(c1CNC2CCCCO2)C f5d954c953748384eaef3e024ea7cb74 [0,0,0,0,0,2|1,0,1]=4 600 B18R2.1451 COc1cccc(c1CNC2CCCOC2)C d3f9b1f27c35c1c4602c47dbcfc07a48 [0,0,0,0,0,2|1,0,1]=4 601 B18R2.1451 COc1cccc(c1CN[C@@H]2CCCOC2)C 17945c1deec6ecb4d72d06bcd2ea6b38 [0,0,0,0,0,2|1,0,1]=4 602 B18R2.1451 COc1cccc(c1CN[C@H]2CCCOC2)C 296311170c5fd7fcd05d8022a47b57d5 [0,0,0,0,0,2|1,0,1]=4 603 B18R2.1451 COc1cccc(c1NCC2=CCCCC2)C 746aabbb9630085fbd91e0795bc5141e [0,0,0,0,0,2|2,0,0]=4 604 B18R2.1451 COc1cccc(c1NCC2=CCOCC2)C 28a52446add35e70e3db8b574a8a46da [0,0,0,0,0,2|2,0,0]=4 605 B18R2.1451 COc1cccc(c1NCC2CCCCO2)C e23f77257f1f15c216bd1a64bf902e4e [0,0,0,0,0,2|1,0,1]=4 606 B18R2.1451 COc1cccc(c1NCC2CCCOC2)C 488d17fe1dfa9047ef61ba31e096c518 [0,0,0,0,0,2|1,0,1]=4 607 B18R2.1451 COc1cccc(c1NCC2COCCO2)C 5253b63c81bc41158e194bbdac3638ee [0,0,0,0,0,2|1,0,1]=4 608 B18R2.118118 COc1cccc(c1CNCC2=CCCC2)C 2b55d79fd1c5d135696bbe7122ae5b0f [0,0,0,0,0,2|2,0,0]=4 609 B18R2.118118 COc1cccc(c1CNCC2CCCO2)C fb964da575376e1c1fa9e37ffbd943cf [0,0,0,0,0,2|1,0,1]=4 610 B18R2.118118 COc1cccc(c1CNC[C@@H]2CCCO2)C 632fab32bf4a55280ee378c07d0a122b [0,0,0,0,0,2|1,0,1]=4 611 B18R2.118118 COc1cccc(c1CNC[C@H]2CCCO2)C e76bf07b0e6492fcf0ad4706d8cc699e [0,0,0,0,0,2|1,0,1]=4 612 B18R2.118118 COc1cccc(c1CNCc2ncco2)C d2dd880ca556324559ae0be74e12de8f [0,0,0,0,0,2|0,0,2]=4 613 B18R2.118118 COc1cccc(c1CNCc2ncno2)C c1076306593e749c0e4dd5685d18e624 [0,0,0,0,0,2|1,0,1]=4 614 B18R2.118118 COc1cccc(c1CNCc2nnco2)C 7539ebedd037b1e7136208b69150a007 [0,0,0,0,0,2|1,0,1]=4 615 B18R2.118118 COc1cccc(c1NCCC2CCCO2)C 77bd0ff9880529fc803d2dc36de46537 [0,0,0,0,0,2|1,0,1]=4