0 B8R1.8 CCCN1CC=CC1 dffb66591d4209c0345506bebd28f7c4 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCNc1cc[nH]n1 1ec90843b0b722deac22a6d0b9230c30 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [0,0,0,0,0,0|3,1,0]=4 5 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 CCNc1ncc[nH]1 9c694d8670fe0b12710364903a725787 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [0,0,0,0,0,0|3,1,0]=4 13 B8R1.8 CCNc1nnco1 61cc1282bfb2a7c0677bca5ed48ec5a9 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [0,0,0,0,0,0|2,1,0]=3 17 B8R1.8 CCOc1ccn[nH]1 945a2fb7b2311859d19fa2575122eac5 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [0,0,0,0,0,0|3,1,0]=4 20 B8R1.8 CCOn1cccn1 770cadc5246353a2a295ab96e14141ca [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 COCN1CC=CC1 c781833d1a7cb89fa27ef9f65275c1cf [0,0,0,0,0,0|2,1,1]=4 22 B8R1.8 CSCN1CC=CC1 bf24d8e5e82ec3c30bb01a4e9def2061 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [0,0,0,0,0,0|3,1,0]=4 24 B8R1.8 FCNc1ccno1 60a267bb867c822fdfdffdd946b066a7 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.8 FCNc1ncco1 f2516fdad5ce6b05dd015414dcc1a357 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [0,0,0,0,0,0|3,1,0]=4 28 B8R1.8 O=CNc1cccs1 ba17c251fb0707a83067f3ecf6d1d996 [0,0,0,0,0,0|3,1,0]=4 29 B8R1.8 O=CNc1ccno1 aae61b9cd3ebc97474890d3f855206e4 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.8 O=CNc1ncco1 6995c12eff18399819f86d155261d936 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [0,0,0,0,0,0|3,1,0]=4 32 B8R1.8 OCNc1ccno1 478600583886de8c6682fe554d125237 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 OCNc1ncco1 15920413347c3c350d4387dc3a094208 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [1,0,0,0,0,0|2,0,1]=4 35 B9R1.7 CCNc1cc(=O)[nH]o1 7c0777fc5b1ddb34d4b644f60c6c25e3 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.7 CCNc1cc(no1)C cd24c43abb4331e19afe815a58788f56 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [0,1,0,0,0,0|2,1,0]=4 38 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [0,1,0,0,0,0|2,1,0]=4 39 B9R1.7 CCNc1cnc(o1)C 48c2ec697b2d1d60215d854942b5fe7d [0,1,0,0,0,0|3,0,0]=4 40 B9R1.7 CCNc1nc(co1)Br cde866043d3b4c3b5137ab3d11a6d624 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 CCNc1nc(co1)C b26a52f95975447075cfb8a89ed6d926 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.7 CCNc1ncc(o1)C b4b13cff670e86276ca545bfd94c7840 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [0,1,0,0,0,0|2,1,0]=4 45 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [0,1,0,0,0,0|2,1,0]=4 48 B9R1.12 BrCCNc1ncco1 f10d61cafefa6d09112d0af6ba2627e7 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.12 C#CCNc1cccs1 8edee9b3b22a3e2011e62e8cf8b5d70d [0,1,0,0,0,0|1,1,1]=4 50 B9R1.12 C#CCNc1ccno1 e310f4a9ea113566612c0995776929b3 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.12 C#CCNc1ncco1 3947668281f491f5770678cbb864c02c [0,1,0,0,0,0|2,0,1]=4 52 B9R1.12 C#CCOc1ccco1 7e47d125415ac439f66b46471e484dda [0,1,0,0,0,0|1,0,1]=3 53 B9R1.12 C#CCOc1cccs1 721610a5c23237c44076dfb96b7829e4 [0,1,0,0,0,0|1,1,1]=4 54 B9R1.12 C=CCNc1cccs1 92993373d08919e3ab7ac7048fef9205 [0,1,0,0,0,0|1,1,1]=4 55 B9R1.12 C=CCNc1ccno1 a0378295848984ae3e808dd4be0765d9 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.12 C=CCNc1ncco1 319b2669ff64de94fdd06e3d56903b50 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.12 C=CCOc1ccco1 718f2f5554bee89c19d4febc6556b9e4 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.12 C=CCOc1cccs1 b7faae57695cecc953f00162fbf0975d [0,1,0,0,0,0|1,1,1]=4 59 B9R1.12 CCCNc1c[nH]cn1 6b63b2271006eeda903e175a88c0546a [0,1,0,0,0,0|3,0,0]=4 60 B9R1.12 CCCNc1cc[nH]n1 970996a901dc2871e25e1b3f58bb1ae9 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [0,1,0,0,0,0|1,1,0]=3 62 B9R1.12 CCCNc1ccno1 278a41485c96cdfca06fb5ac2f62c14e [0,1,0,0,0,0|2,0,0]=3 63 B9R1.12 CCCNc1ccns1 4c2c426bd7131ff8d2911cd5cad3e478 [0,1,0,0,0,0|2,1,0]=4 64 B9R1.12 CCCNc1ccoc1 cc4f6f51569c182aca4da58e5f019c78 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.12 CCCNc1ccon1 67d2486210e5c6b1db57939f48d96b10 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.12 CCCNc1ccsc1 a70237f11ed81d43b5ff787e5b6c83f9 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.12 CCCNc1cncs1 d9981c3c4bf58afdd44af083430ae37f [0,1,0,0,0,0|2,1,0]=4 68 B9R1.12 CCCNc1cocn1 ba2d440733fea026f6967dab40049325 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.12 CCCNc1cscn1 fae4b904f23fb93e2e56928f5d9cc6d4 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.12 CCCNc1ncc[nH]1 8f0b11e739cdbcc3c6e78e115ed494fe [0,1,0,0,0,0|3,0,0]=4 71 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.12 CCCNc1nccs1 26bd7c90c10f9395c78eb9fc2d80649e [0,1,0,0,0,0|2,1,0]=4 73 B9R1.12 CCCNc1nnco1 532ce1f06de3f33d65f358440d1dd157 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.12 CCCOc1c[nH]cn1 45a2af4246e68dfa1ee3afde5dc82ddf [0,1,0,0,0,0|3,0,0]=4 75 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [0,1,0,0,0,0|1,1,0]=3 77 B9R1.12 CCCOc1ccn[nH]1 a3b9c72eb0c803665c4c2723cda3dad1 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.12 CCCOc1ccsc1 09284982954b71ce4e3ef57411744ecc [0,1,0,0,0,0|3,0,0]=4 79 B9R1.12 CCCOc1nccs1 5f60e0b45753d03ef3faa171be938859 [0,1,0,0,0,0|2,1,0]=4 80 B9R1.12 CCCOn1cccn1 2e48792a1b51d3b1159f5dd703032bb5 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.12 CCNCc1cc[nH]c1 5f34bb16d580f8126d210a7f1c922122 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [0,1,0,0,0,0|2,0,0]=3 83 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [0,1,0,0,0,0|1,1,0]=3 85 B9R1.12 CCNCc1ccn[nH]1 8d84ae57d6fc6c4a664fbe3966ca8383 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.12 CCNCc1ccno1 e3d071a4a6a6b5a56e413f5bc114cce7 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.12 CCNCc1ccns1 53d19f3606d2c7046c29db26540fcc72 [0,1,0,0,0,0|2,1,0]=4 88 B9R1.12 CCNCc1ccoc1 790b339bd93664fda272fb5f895d2be9 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.12 CCNCc1ccon1 76008202c967d53995dbdd46c4b0b05b [0,1,0,0,0,0|3,0,0]=4 90 B9R1.12 CCNCc1ccsc1 8d2a00279cff0e97c4d4139ed8f7ead4 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.12 CCNCc1ccsn1 c640c32a57f58f85269acc4cf13e08dd [0,1,0,0,0,0|3,0,0]=4 92 B9R1.12 CCNCc1cnco1 1035caf61cdb047204144eeeaf71318d [0,1,0,0,0,0|2,0,0]=3 93 B9R1.12 CCNCc1cncs1 766ca9698d87ebdd1f3395f38204ee85 [0,1,0,0,0,0|2,1,0]=4 94 B9R1.12 CCNCc1cocn1 ee5152002bd65a9d43431c8076f0a4d3 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.12 CCNCc1cscn1 6ac8fdacb085e4e7af5e2a744e0781a5 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.12 CCNCc1ncc[nH]1 80bb75fd4db514b30cbb9decd5220667 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [0,1,0,0,0,0|2,0,0]=3 98 B9R1.12 CCNCc1nccs1 526a03e98732df2789dd97318edaafd6 [0,1,0,0,0,0|2,1,0]=4 99 B9R1.12 CCOCc1cc[nH]c1 59d617c736c503e8fe59f893e6c21bac [0,1,0,0,0,0|2,1,0]=4 100 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [0,1,0,0,0,0|1,1,0]=3 101 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [0,1,0,0,0,0|0,1,0]=2 102 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [0,1,0,0,0,0|0,2,0]=3 103 B9R1.12 CCOCc1ccn[nH]1 d7f28e0a081f68ec795d8d4391069dd7 [0,1,0,0,0,0|2,1,0]=4 104 B9R1.12 CCOCc1ccno1 68fd73c165a46ff5a6360ea6e6f9c37e [0,1,0,0,0,0|1,1,0]=3 105 B9R1.12 CCOCc1ccns1 01d522fece72fce5cf6b304cfc953d98 [0,1,0,0,0,0|1,2,0]=4 106 B9R1.12 CCOCc1ccon1 c3dd8303abc344854e3a20eb862deac2 [0,1,0,0,0,0|2,1,0]=4 107 B9R1.12 CCOCc1ccsc1 386d4e7246ff291707b3e218c5edbe51 [0,1,0,0,0,0|2,1,0]=4 108 B9R1.12 CCOCc1ccsn1 85325b8df299b4348765c5ae4f3bbc2a [0,1,0,0,0,0|2,1,0]=4 109 B9R1.12 CCOCc1cnc[nH]1 9627bc2d6cb500602677f06a6a7d9bf4 [0,1,0,0,0,0|2,1,0]=4 110 B9R1.12 CCOCc1cnco1 682660b9b5fafc169b6b4f8ad83fea44 [0,1,0,0,0,0|1,1,0]=3 111 B9R1.12 CCOCc1cncs1 8515774c41cb1b7c89894f4d4fd2f475 [0,1,0,0,0,0|1,2,0]=4 112 B9R1.12 CCOCc1cocn1 8d5c6b8af6fe755487d9214435b13700 [0,1,0,0,0,0|2,1,0]=4 113 B9R1.12 CCOCc1cscn1 77c64af51f4fa6cafcbef73604cf106e [0,1,0,0,0,0|2,1,0]=4 114 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [0,1,0,0,0,0|2,1,0]=4 115 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [0,1,0,0,0,0|1,1,0]=3 116 B9R1.12 CCOCc1nccs1 42a4ef0c68f9f4ccf7685ffa2d58e68a [0,1,0,0,0,0|1,2,0]=4 117 B9R1.12 CCOCc1ncno1 8d655f7a5ef9265f987e9df722e5651d [0,1,0,0,0,0|2,1,0]=4 118 B9R1.12 CCOCc1nnco1 3cbc316232cad985ae2ba8645ef2d50e [0,1,0,0,0,0|2,1,0]=4 119 B9R1.12 CCOCn1cccn1 75e33447e70b4a19050f65c31ed6077f [0,1,0,0,0,0|2,1,0]=4 120 B9R1.12 COCNc1cc[nH]n1 b47457f2c12b45103e8aedafe7c92ddb [0,1,0,0,0,0|2,1,0]=4 121 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [0,1,0,0,0,0|0,2,0]=3 122 B9R1.12 COCNc1ccno1 d755508b800677986f100d0e5f1274a2 [0,1,0,0,0,0|1,1,0]=3 123 B9R1.12 COCNc1ccns1 74bd416b6da6dbc80fd170afd43b9bf9 [0,1,0,0,0,0|1,2,0]=4 124 B9R1.12 COCNc1ccon1 5b9e5a5c367d444b35c135d5299eaa97 [0,1,0,0,0,0|2,1,0]=4 125 B9R1.12 COCNc1ccsc1 b1f054b12d453203e8f9a03a0c803158 [0,1,0,0,0,0|2,1,0]=4 126 B9R1.12 COCNc1cncs1 d8aa9030b888e2ce0dd175cd8386e218 [0,1,0,0,0,0|1,2,0]=4 127 B9R1.12 COCNc1cocn1 4d48960ad634ba6e5d27e7c4f7d64a79 [0,1,0,0,0,0|2,1,0]=4 128 B9R1.12 COCNc1cscn1 57d9af23d0960816e9f0917fc1df0f86 [0,1,0,0,0,0|2,1,0]=4 129 B9R1.12 COCNc1ncc[nH]1 40f6f94346f0489624dbd120791daf0f [0,1,0,0,0,0|2,1,0]=4 130 B9R1.12 COCNc1ncco1 ef48d84ae70ad4ac2e098cff7a885ffc [0,1,0,0,0,0|1,1,0]=3 131 B9R1.12 COCNc1nccs1 a9a82eb2fef3eceb9545f8e4c6ef3225 [0,1,0,0,0,0|1,2,0]=4 132 B9R1.12 COCNc1nnco1 5037e757a3678ed07bea17d92778d24b [0,1,0,0,0,0|2,1,0]=4 133 B9R1.12 COCOc1c[nH]cn1 6c2115fe6273b19af20bea24cbbde651 [0,1,0,0,0,0|2,1,0]=4 134 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [0,1,0,0,0,0|0,1,0]=2 135 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [0,1,0,0,0,0|0,2,0]=3 136 B9R1.12 COCOc1ccn[nH]1 3b68d0dff601b1769a10360beb00fe7d [0,1,0,0,0,0|2,1,0]=4 137 B9R1.12 COCOc1ccsc1 49538f86247396d6cbaa2d0525ffe326 [0,1,0,0,0,0|2,1,0]=4 138 B9R1.12 COCOc1nccs1 c88505ed52fd613977542dc936050055 [0,1,0,0,0,0|1,2,0]=4 139 B9R1.12 COCOn1cccn1 ef1cebe7353bf75e6a834546462668ad [0,1,0,0,0,0|2,1,0]=4 140 B9R1.12 CSCCN1CC=CC1 3d36602550b5bac83ed89b5a1ad75e3b [0,1,0,0,0,0|2,0,1]=4 141 B9R1.12 CSCNC1CC=CC1 bd2e3658e0d97aae8c746321f7ab53d6 [0,1,0,0,0,0|1,0,2]=4 142 B9R1.12 CSCNc1cc[nH]n1 60b28f6fccc8c40c3d63c151c0cad8a9 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [0,1,0,0,0,0|0,1,0]=2 144 B9R1.12 CSCNc1ccno1 9cb31c8b969f0e8254415eeaa69d44aa [0,1,0,0,0,0|1,0,0]=2 145 B9R1.12 CSCNc1ccns1 d2de5714a25a01b8017c2b1c2eef8beb [0,1,0,0,0,0|1,1,0]=3 146 B9R1.12 CSCNc1ccon1 c5caae460e6aecde2490f165b7e55fa2 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.12 CSCNc1ccsc1 d321f0c68ba20091ba171cf0778dbfb2 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.12 CSCNc1cn[nH]c1 63987570faa681a2f560c1464611ac86 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.12 CSCNc1cncs1 3beb8ba66092659d529a2317040f5d97 [0,1,0,0,0,0|1,1,0]=3 150 B9R1.12 CSCNc1cnns1 49ffd09fa8c3e3ce6c7b88edb469373a [0,1,0,0,0,0|2,1,0]=4 151 B9R1.12 CSCNc1cnoc1 c6f06a3582acb1029d7eeb52671f0006 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.12 CSCNc1cnon1 a9e58e0cccd61c3f1e88def9f2ac43d6 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.12 CSCNc1cnsc1 c396a82363e15fb81837da635872a890 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.12 CSCNc1cscn1 18e489064ae6fbf4e32cf9bf21c6fe25 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.12 CSCNc1nc[nH]n1 86eb53c416b2426e4db356edb2389536 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.12 CSCNc1ncc[nH]1 e4975d99979905df593178a7ad0e0f5f [0,1,0,0,0,0|2,0,0]=3 157 B9R1.12 CSCNc1ncco1 44b6ee33c95609b66c0a28f57bbe3cb5 [0,1,0,0,0,0|1,0,0]=2 158 B9R1.12 CSCNc1nccs1 f7f95253927fbf72e500dc3bd3ffda68 [0,1,0,0,0,0|1,1,0]=3 159 B9R1.12 CSCNc1ncon1 d38727c7bad71abaf0e858f00e301fa6 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.12 CSCNc1nnco1 1c03255ee7d813b846a949c157d805cd [0,1,0,0,0,0|2,0,0]=3 161 B9R1.12 CSCNc1nncs1 651a48ac54938b758938dad1d44d27cc [0,1,0,0,0,0|2,1,0]=4 162 B9R1.12 CSCOC1C=CCC1 2f30b39bea57bfbdbcf87990323d89a9 [0,1,0,0,0,0|1,0,2]=4 163 B9R1.12 CSCOC1CC=CC1 9a47992dbdeaa9ae36ee514eaf8ef5d6 [0,1,0,0,0,0|1,0,2]=4 164 B9R1.12 CSCOc1c[nH]cn1 8e109d64c8f73539e4b4622297cabda6 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [0,1,0,0,0,0|0,0,0]=1 166 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [0,1,0,0,0,0|0,1,0]=2 167 B9R1.12 CSCOc1ccn[nH]1 5e43ae14e86be2556311ff5f0133b05b [0,1,0,0,0,0|2,0,0]=3 168 B9R1.12 CSCOc1ccsc1 807436c00e66b00c405a78aa81eb9f6c [0,1,0,0,0,0|2,0,0]=3 169 B9R1.12 CSCOc1cn[nH]c1 8d36f5999e8eca42d63e9825aeb9d94c [0,1,0,0,0,0|3,0,0]=4 170 B9R1.12 CSCOc1cnoc1 15467d6239a48dcec8652e3b78282535 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.12 CSCOc1cnsn1 50873e411026606a19c5cbcc0c085002 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.12 CSCOc1nccs1 c14501a9c816ea2a12ae33f26fb07968 [0,1,0,0,0,0|1,1,0]=3 173 B9R1.12 CSCOc1nncs1 96fec17f1840cc1a239225ffd68dda19 [0,1,0,0,0,0|2,1,0]=4 174 B9R1.12 CSCOn1cccn1 c9daa3f2c98fac43f897f8eee82b957b [0,1,0,0,0,0|2,0,0]=3 175 B9R1.12 CSCOn1ccnc1 df4977c4275e7a4c113ffde3aa77d7ac [0,1,0,0,0,0|3,0,0]=4 176 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [0,1,0,0,0,0|2,1,0]=4 177 B9R1.12 FCCNc1ccno1 b6637a686695515d112143a76454239c [0,1,0,0,0,0|3,0,0]=4 178 B9R1.12 FCCNc1ncco1 47b5c44d7c9c24ca570ff921d61c2e16 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [0,1,0,0,0,0|2,1,0]=4 181 B9R1.12 FCNCc1cc[nH]c1 b817894ddede5708528cb1405f360cfd [0,1,0,0,0,0|3,0,0]=4 182 B9R1.12 FCNCc1ccc[nH]1 b8209f67d0b6dbcebbd0297bb2e6b7c8 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [0,1,0,0,0,0|1,0,0]=2 184 B9R1.12 FCNCc1cccs1 1969e67372fdc757bbfda3428419fdb3 [0,1,0,0,0,0|1,1,0]=3 185 B9R1.12 FCNCc1ccn[nH]1 cda025662070f0a73f7264c2ff0c73fe [0,1,0,0,0,0|3,0,0]=4 186 B9R1.12 FCNCc1ccno1 6becd9ac5248ebe74a06560fa2878f05 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.12 FCNCc1ccns1 fdb6b601f9f936e577ebb82267581695 [0,1,0,0,0,0|2,1,0]=4 188 B9R1.12 FCNCc1ccoc1 db9af6c840ffa1f5fc9828bc8e8097bc [0,1,0,0,0,0|3,0,0]=4 189 B9R1.12 FCNCc1ccon1 63a4782f85cf5ab7534117902993963b [0,1,0,0,0,0|3,0,0]=4 190 B9R1.12 FCNCc1ccsc1 cc5edd879e4d25bdc7b7075ec2598a6f [0,1,0,0,0,0|3,0,0]=4 191 B9R1.12 FCNCc1ccsn1 72f18eed8091a2d7fcd610697ffd70e8 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.12 FCNCc1cnco1 cf86c8bb9bd895bc4ce3c992d4d2142e [0,1,0,0,0,0|2,0,0]=3 193 B9R1.12 FCNCc1cncs1 76fd908de105c0540337c1ef239bc68d [0,1,0,0,0,0|2,1,0]=4 194 B9R1.12 FCNCc1cocn1 82004bada43782cac7af07b713c84509 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.12 FCNCc1cscn1 769772b29943de68b1000d9563e5e495 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.12 FCNCc1ncc[nH]1 6689b6a01fc579b929605c33ea1295e4 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.12 FCNCc1ncco1 c982d0b49f405e63c027b9bb6d5577c4 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.12 FCNCc1nccs1 5615475f6c7eb30ffbc57692f2b993b8 [0,1,0,0,0,0|2,1,0]=4 199 B9R1.12 FCOCc1cc[nH]c1 e645347fff584dcaf13c7a8df55c8f11 [0,1,0,0,0,0|2,1,0]=4 200 B9R1.12 FCOCc1ccc[nH]1 f8b57ee506260fbcaafed00f685542b2 [0,1,0,0,0,0|1,1,0]=3 201 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [0,1,0,0,0,0|0,1,0]=2 202 B9R1.12 FCOCc1cccs1 d20aa0b5d32f374e73f69643d763b140 [0,1,0,0,0,0|0,2,0]=3 203 B9R1.12 FCOCc1ccn[nH]1 452c78591804938e412907515b6bc677 [0,1,0,0,0,0|2,1,0]=4 204 B9R1.12 FCOCc1ccno1 aefc8c45c011887243be775781e8f9e1 [0,1,0,0,0,0|1,1,0]=3 205 B9R1.12 FCOCc1ccns1 5c700c996c7d8119266c1c9c3ee24311 [0,1,0,0,0,0|1,2,0]=4 206 B9R1.12 FCOCc1ccoc1 acd5d0c1e71ac03cee6d062a471f50f7 [0,1,0,0,0,0|2,1,0]=4 207 B9R1.12 FCOCc1ccon1 0721dfe173bec0fc2e4946fea06ae8a8 [0,1,0,0,0,0|2,1,0]=4 208 B9R1.12 FCOCc1ccsc1 2373512534d4c6091a520d964abd3f36 [0,1,0,0,0,0|2,1,0]=4 209 B9R1.12 FCOCc1ccsn1 4ee994a999267a68bcd5b3e690c317ea [0,1,0,0,0,0|2,1,0]=4 210 B9R1.12 FCOCc1cnc[nH]1 b85322375d2bddd3354b8d4445a26470 [0,1,0,0,0,0|2,1,0]=4 211 B9R1.12 FCOCc1cnco1 a420d70118564f414ea32375d2dd9975 [0,1,0,0,0,0|1,1,0]=3 212 B9R1.12 FCOCc1cncs1 392d6d5ac538060a9f76173dc86c914f [0,1,0,0,0,0|1,2,0]=4 213 B9R1.12 FCOCc1cocn1 a968af3f60353093ebfa8f98c972be56 [0,1,0,0,0,0|2,1,0]=4 214 B9R1.12 FCOCc1cscn1 3a3aaf8cd579db3b0eeb5a667a71d7f6 [0,1,0,0,0,0|2,1,0]=4 215 B9R1.12 FCOCc1ncc[nH]1 3bad8b7d5aa7146c2adf3bbebdfd1e35 [0,1,0,0,0,0|2,1,0]=4 216 B9R1.12 FCOCc1ncco1 fdb0645c6d8826990df411edb2fa5eb8 [0,1,0,0,0,0|1,1,0]=3 217 B9R1.12 FCOCc1nccs1 7e836ee678b970cddee8ad1814905381 [0,1,0,0,0,0|1,2,0]=4 218 B9R1.12 FCOCc1ncno1 789c62370628837cd1361aa3aa273c57 [0,1,0,0,0,0|2,1,0]=4 219 B9R1.12 FCOCc1nnco1 ccb69b53f0bd5b8fd9144cc458d59fb6 [0,1,0,0,0,0|2,1,0]=4 220 B9R1.12 FCOCn1cccn1 8db9267f6e280472e576745b2c6b174a [0,1,0,0,0,0|2,1,0]=4 221 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [0,1,0,0,0,0|2,1,0]=4 222 B9R1.12 N#CCNc1cccs1 f54e5bc7d0f53d4c6fd4d51f240c1103 [0,1,0,0,0,0|2,1,0]=4 223 B9R1.12 N#CCNc1ccno1 03567a6e60aac7f9626307840a82c14e [0,1,0,0,0,0|3,0,0]=4 224 B9R1.12 N#CCNc1ncco1 96dde140f727e0b8a160702e28aa516c [0,1,0,0,0,0|3,0,0]=4 225 B9R1.12 N#CCOc1ccco1 97ed41888b204297d85be182c0210ec9 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.12 N#CCOc1cccs1 9180840c6ae0b4c773b5e8a412b9e0a7 [0,1,0,0,0,0|2,1,0]=4 227 B9R1.12 N#CNCc1ccco1 4a29a0cee61f6ca4469fdc18ecac181f [0,1,0,0,0,0|1,0,1]=3 228 B9R1.12 N#CNCc1cccs1 cf1c10b6f06ad8c560cc8745113ccbe9 [0,1,0,0,0,0|1,1,1]=4 229 B9R1.12 N#CNCc1ccno1 3398fbbb12f122bfa11e39fc5481874d [0,1,0,0,0,0|2,0,1]=4 230 B9R1.12 N#CNCc1ncco1 36b3ee8199a798980eaebc99cededce2 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.12 O=CCNc1cccs1 60a129f7ce0ed47960cff2a58ff45c1c [0,1,0,0,0,0|2,1,0]=4 232 B9R1.12 O=CCNc1ccno1 d89beb34e7299bb5546d81c088f021b3 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.12 O=CCNc1ncco1 a903c622426cd77e9fe9761a3cc7b9bd [0,1,0,0,0,0|3,0,0]=4 234 B9R1.12 O=CCOc1ccco1 1e74f64104a9bfe1c6a709b4cd3c3941 [0,1,0,0,0,0|2,0,0]=3 235 B9R1.12 O=CCOc1cccs1 8bfa681cbb01e0a1759e3c960c15aeb1 [0,1,0,0,0,0|2,1,0]=4 236 B9R1.12 O=CNCc1ccco1 500b938a7f3d3a911f6dbf809f17e808 [0,1,0,0,0,0|1,0,1]=3 237 B9R1.12 O=CNCc1cccs1 fecfb8c88f46a0100ee636a1638f8376 [0,1,0,0,0,0|1,1,1]=4 238 B9R1.12 O=CNCc1ccno1 1d96e0438d070b6a30ebeea53435d039 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.12 O=CNCc1cnco1 ee7ea837847f21c2df5abd28f3d73bda [0,1,0,0,0,0|2,0,1]=4 240 B9R1.12 O=CNCc1ncco1 ae229f156f358694ec9fa8df5fdba020 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [0,1,0,0,0,0|2,0,0]=3 242 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [0,1,0,0,0,0|2,1,0]=4 243 B9R1.12 OCCNc1ccno1 f9d4a2c229db87b9a999f7bc1ae8173c [0,1,0,0,0,0|3,0,0]=4 244 B9R1.12 OCCNc1ncco1 27672c213574093b88099a3cc5e6e3a7 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.12 OCNCc1cc[nH]c1 f5a137e18f15de138541ca934254f440 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.12 OCNCc1ccc[nH]1 b011ce93b48fe889bae376897837b402 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [0,1,0,0,0,0|1,0,0]=2 248 B9R1.12 OCNCc1cccs1 2d672a9efcaba2b89f20e3b8a4fffaa8 [0,1,0,0,0,0|1,1,0]=3 249 B9R1.12 OCNCc1ccn[nH]1 4f644eaa1c198c0d47e157b2251dd9df [0,1,0,0,0,0|3,0,0]=4 250 B9R1.12 OCNCc1ccno1 5ee1390985394a1ac47e98b34aaa079d [0,1,0,0,0,0|2,0,0]=3 251 B9R1.12 OCNCc1ccns1 02f2c7810f1c3e540cfce6395bda8c6e [0,1,0,0,0,0|2,1,0]=4 252 B9R1.12 OCNCc1ccoc1 9c7027d5d74585d7a26015dc4962abeb [0,1,0,0,0,0|3,0,0]=4 253 B9R1.12 OCNCc1ccon1 641e1bc46b502f4ff0216fba16f534e0 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.12 OCNCc1ccsc1 e98282527dce2dcf482e445dc6ab3297 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.12 OCNCc1ccsn1 6423ef43bb72b8074571efd4a00036f0 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.12 OCNCc1cnco1 ff41cd25219a84912d0d2df0441c6a9f [0,1,0,0,0,0|2,0,0]=3 257 B9R1.12 OCNCc1cncs1 7e0889ebf2097242016deaebafe8acfa [0,1,0,0,0,0|2,1,0]=4 258 B9R1.12 OCNCc1cocn1 62065bc3c4e6fec9b8a9661dcdc38734 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.12 OCNCc1cscn1 c4e4a0e9b088904696061154b9ed9b67 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.12 OCNCc1ncc[nH]1 55bad8fd5c892932b74f834aa70660c2 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.12 OCNCc1ncco1 6863cdccabe755ed920c5ddc5155c6b9 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.12 OCNCc1nccs1 11e087dc3a42e81fae34a358a44fd79d [0,1,0,0,0,0|2,1,0]=4 263 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [0,1,0,0,0,0|2,0,0]=3 264 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [0,1,0,0,0,0|2,1,0]=4 265 B9R1.12 SCCNc1ccno1 5cd3c4d2b0667cbb91e1ddefedf31d74 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.12 SCCNc1ncco1 1229403417eadb8e714b272bcc417e39 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [0,1,0,0,0,0|2,0,0]=3 268 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [0,1,0,0,0,0|2,1,0]=4 269 B9R1.13 CC(=O)Nc1cccs1 f70dc40a2b7a68d7210198fbab697918 [0,1,0,0,0,0|2,1,0]=4 270 B9R1.13 CC(=O)Nc1ccno1 9ee4360e11764428c81b3574e3a5fbc0 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.13 CC(=O)Nc1ncco1 b16f0a75e381dc1cebd6e7c0a9c2918e [0,1,0,0,0,0|3,0,0]=4 272 B9R1.13 CC(C)Nc1ccno1 2159316ddf4b6c3bfafa9dd18aed231b [0,1,0,0,0,0|3,0,0]=4 273 B9R1.13 CC(C)Nc1ncco1 fcd0fac8f92d9b0f4549470280738971 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [0,1,0,0,0,0|2,1,0]=4 276 B9R1.33 CCNc1oncc1C 531267cb4f7a89867cb7cb8dfa6e9640 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.33 CCOc1cccn1C 44520dbb337be4380fad349d4652b597 [0,1,0,0,0,0|3,0,0]=4 278 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,0,1,0,0,0|2,0,1]=4 279 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,0,1,0,0,0|2,0,1]=4 280 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,0,1,0,0,0|2,0,1]=4 281 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,0,1,0,0,0|2,0,1]=4 282 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,0,1,0,0,0|1,0,2]=4 283 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,0,1,0,0,0|1,0,2]=4 284 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,0,1,0,0,0|0,1,2]=4 285 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,0,1,0,0,0|0,0,2]=3 286 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,0,1,0,0,0|2,0,1]=4 287 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,0,1,0,0,0|2,0,1]=4 288 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,0,1,0,0,0|2,0,1]=4 289 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,0,1,0,0,0|1,0,2]=4 290 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,0,1,0,0,0|2,0,1]=4 291 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,0,1,0,0,0|2,0,1]=4 292 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,0,1,0,0,0|2,0,1]=4 293 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [0,0,0,0,0,1|3,0,0]=4 294 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [0,0,0,0,0,1|3,0,0]=4 295 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [0,0,0,0,0,1|3,0,0]=4 303 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [0,0,0,0,0,1|3,0,0]=4 304 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [0,0,0,0,0,1|3,0,0]=4 306 B9R1.8 CSCN1CC=CCC1 9669bbb4c189280daf66252f3e686dcf [0,0,0,0,0,1|2,0,1]=4 307 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,0,1,0,0,0|0,0,2]=4 308 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,0,1,0,0,0|0,0,2]=4 309 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,0,1,0,0,0|0,1,1]=4 310 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,1,1,0,0,0|1,0,1]=4 311 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,1,1,0,0,0|0,0,2]=4 312 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [0,1,1,0,0,0|1,1,0]=4 313 B8R0.4 C/C=C/C=C/COCF 02510bc1e5437b525e5ca68e059cfda2 [0,1,1,0,0,0|1,1,0]=4 314 B8R0.4 C/C=C/COCCSC 0e33f377959f752365d583ff90505be8 [0,1,1,0,0,0|0,0,2]=4 315 B8R0.4 C/C=C\COCCSC 56999da5f26ee69516587b92c53efdf2 [0,1,1,0,0,0|0,0,2]=4 316 B8R0.4 C=CCCOCCSC e83f2d78c318b4d5cdd4b25f8f4a6571 [0,1,1,0,0,0|0,0,2]=4 317 B8R0.4 C=CCOCCCSC 5081ad9926844b88206c1580515c6c03 [0,1,1,0,0,0|0,0,2]=4 318 B8R0.4 C=CCOCCSCC 4edb0350a839460b0e73853c19953683 [0,1,1,0,0,0|0,0,2]=4 319 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [0,1,1,0,0,0|1,1,0]=4 320 B8R0.4 CC=CC=CCOCF 1aa20a7eea5c51200b32b92fc0ce88f4 [0,1,1,0,0,0|1,1,0]=4 321 B8R0.4 CC=CCOCCSC 2614ef02e181335c400b64f125bf5a8f [0,1,1,0,0,0|0,0,2]=4 322 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [0,1,1,0,0,0|0,0,2]=4 323 B8R0.4 CSCCOC/C=C/Cl ff46031a26aca11a99b4c0ad47b71629 [0,1,1,0,0,0|0,0,2]=4 324 B8R0.4 CSCCOC/C=C\Cl 3fb958b2d5eab9dcd67ee5a0e02a9ab0 [0,1,1,0,0,0|0,0,2]=4 325 B8R0.4 CSCCOCC=CCl ae6553f496d4bb6713fe0851b7f2486d [0,1,1,0,0,0|0,0,2]=4 326 B8R0.4 CSCOC/C=C/C=O 8214affd03209cc6c710ec092140e7af [0,1,1,0,0,0|0,0,2]=4 327 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,1,1,0,0,0|1,0,1]=4 328 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,1,1,0,0,0|1,0,1]=4 329 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,1,1,0,0,0|0,0,2]=4 330 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,1,1,0,0,0|0,0,2]=4 331 B8R0.7 C=C(Br)COCCSC 8115612421b5124e936093469c623be0 [0,1,1,0,0,0|0,0,2]=4 332 B8R0.7 C=C(C)COCCSC f6054d02b49bf489f798212392eec68c [0,1,1,0,0,0|0,0,2]=4 333 B8R0.7 C=C(Cl)COCCSC f3861298614a897487da4435e963ef56 [0,1,1,0,0,0|0,0,2]=4 334 B8R0.7 C=C(F)COCCSC e51737a42dec5b58b92e49d087c27bec [0,1,1,0,0,0|0,0,2]=4 335 B8R0.7 C=C(I)COCCSC c966d9f86e479c95cf6527498693e642 [0,1,1,0,0,0|0,0,2]=4 336 B8R0.11 C=CC(C=C)OCSC 26192961af28ce70a8cc356e931c2a5b [0,1,1,0,0,0|1,0,1]=4 337 B10R1.4 CCOc1cccoc1=O 7ff4b51ee01af505d2964258091f5c59 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.4 CCOc1coccc1=O f03228b8de8c0c009e2b1ec644801385 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.17 CCCNc1ccccn1 d0e3424364e1c8a55b80e6e83d3696ba [0,1,0,0,0,1|2,0,0]=4 341 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [0,1,0,0,0,1|2,0,0]=4 342 B10R1.17 CCCNc1cccnn1 563334c6dadea743653cde03719d759b [0,1,0,0,0,1|2,0,0]=4 343 B10R1.17 CCCNc1ccncc1 d6095b2a5c05617a6cec49b81fb053c5 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.17 CCCNc1ccncn1 b9fcfeaf51b4e3f06d605d771d307526 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.17 CCCNc1cnccn1 21846cbecedbe2640cf1187c9cb12883 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.17 CCCNc1ncccn1 75419027ddb25105c51dd1506820ccba [0,1,0,0,0,1|2,0,0]=4 347 B10R1.17 CCCOc1ccccn1 6e04423b9fd777130a88eaa9fd38fe0c [0,1,0,0,0,1|2,0,0]=4 348 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.17 CCCOc1ccncc1 f349ca52270425380eacc7a2a158cca4 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.17 CCCOc1cnccn1 63621ef82dd8a608febe84451551c55a [0,1,0,0,0,1|2,0,0]=4 351 B10R1.17 CCCOc1ncccn1 5c5a6b9b9ac104a48d6c4b0d32992f0c [0,1,0,0,0,1|2,0,0]=4 352 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.17 CCNCc1cccnn1 d81bd9bf1bc516576c473bbc4cf064a6 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.17 CCNCc1ccncn1 ae6a093ba5aef71c0ed8d67651e0dd26 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.17 CCNCc1cnccn1 e42a4917d2a6a9dffed5bdafd4c5a5d6 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.17 CCNCc1ncccn1 7e64da8f6dedc74d9803d8b0ac5afe0e [0,1,0,0,0,1|2,0,0]=4 360 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [0,1,0,0,0,1|1,1,0]=4 361 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [0,1,0,0,0,1|1,1,0]=4 362 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [0,1,0,0,0,1|1,1,0]=4 363 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [0,1,0,0,0,1|1,1,0]=4 364 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [0,1,0,0,0,1|1,1,0]=4 365 B10R1.17 CCOCc1ccncn1 d55d0b80fa8d405bad8866668c0f9fa7 [0,1,0,0,0,1|1,1,0]=4 366 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [0,1,0,0,0,1|1,1,0]=4 367 B10R1.17 CCOCc1ncccn1 ba95357c7224be2db8f523f6aa6f9bb0 [0,1,0,0,0,1|1,1,0]=4 368 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [0,1,0,0,0,1|1,1,0]=4 369 B10R1.17 COCNc1ccccn1 a7abef3468bc69aa80ea510854a664da [0,1,0,0,0,1|1,1,0]=4 370 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [0,1,0,0,0,1|1,1,0]=4 371 B10R1.17 COCNc1cccnn1 81506436050659ef73117567fa6791d8 [0,1,0,0,0,1|1,1,0]=4 372 B10R1.17 COCNc1ccncc1 cff9bc6476b5f7fb176472d400021849 [0,1,0,0,0,1|1,1,0]=4 373 B10R1.17 COCNc1ccncn1 0121271d6ad38ca03fde203df163daca [0,1,0,0,0,1|1,1,0]=4 374 B10R1.17 COCNc1cnccn1 e1b86a322d65d71968ad3b0b53c14350 [0,1,0,0,0,1|1,1,0]=4 375 B10R1.17 COCNc1ncccn1 3760316947979d077818f7dd79f44e4b [0,1,0,0,0,1|1,1,0]=4 376 B10R1.17 COCOc1ccccn1 20cd252a71a5a01c3e93af63053a4326 [0,1,0,0,0,1|1,1,0]=4 377 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [0,1,0,0,0,1|1,1,0]=4 378 B10R1.17 COCOc1ccncc1 18fbb570a0961cb423d27776329da350 [0,1,0,0,0,1|1,1,0]=4 379 B10R1.17 COCOc1cnccn1 91692ef16c539c2f51ce9f654d4e167a [0,1,0,0,0,1|1,1,0]=4 380 B10R1.17 COCOc1ncccn1 2bd9fff082f7aee48935ad67be70ba10 [0,1,0,0,0,1|1,1,0]=4 381 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [0,1,0,0,0,1|1,0,0]=3 382 B10R1.17 CSCNc1ccccn1 cc0ec9b3c5cc0b5eddbb2cfb429d6e35 [0,1,0,0,0,1|1,0,0]=3 383 B10R1.17 CSCNc1cccnc1 e9d3d08db46089fcfbd01833b3252a03 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.17 CSCNc1cccnn1 25ab19c91bfa446099e97e2e9884abac [0,1,0,0,0,1|1,0,0]=3 385 B10R1.17 CSCNc1ccncc1 b2728812347dbf5a187f75cde2f2f0f7 [0,1,0,0,0,1|1,0,0]=3 386 B10R1.17 CSCNc1ccncn1 c8f5e25272793ac1621ccdc638520744 [0,1,0,0,0,1|1,0,0]=3 387 B10R1.17 CSCNc1ccnnc1 a85c8ee67fb4c3c2ce9026ea5cfc88c5 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.17 CSCNc1cnccn1 930f16f0ffaab42f985807a52dc0c6d1 [0,1,0,0,0,1|1,0,0]=3 389 B10R1.17 CSCNc1cncnc1 828be2e55be0b994fef15bd27d5d65c3 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.17 CSCNc1cnncn1 9d0890c38f677514b38cfec005ae6919 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.17 CSCNc1ncccn1 c2922d243c5be83b9b56350e712309ad [0,1,0,0,0,1|1,0,0]=3 392 B10R1.17 CSCNc1nccnn1 e89b9be9cd834590d799d8882073472c [0,1,0,0,0,1|2,0,0]=4 393 B10R1.17 CSCNc1ncncn1 0b78dcca363cab2961d48b5810c1dc43 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.17 CSCOc1ccccn1 af78560ad465f4d707ca132fa83d0e3a [0,1,0,0,0,1|1,0,0]=3 395 B10R1.17 CSCOc1cccnc1 ba5df6f707d429b8683f03b4c7f7b4a6 [0,1,0,0,0,1|1,0,0]=3 396 B10R1.17 CSCOc1ccncc1 4513be07dbfed35afed2a35144dfb259 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.17 CSCOc1ccnnc1 0070046e2fad809de4ff6148194da845 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.17 CSCOc1cnccn1 52ffcd2be78a9b2f46dfb44270cb610f [0,1,0,0,0,1|1,0,0]=3 399 B10R1.17 CSCOc1cncnc1 5aaddc6f81bda81f76fb85fc9a4c08c2 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.17 CSCOc1cncnn1 023ff167526b97e19119f4d2300546cf [0,1,0,0,0,1|2,0,0]=4 401 B10R1.17 CSCOc1ncccn1 f123fda50715e79ccef9ccaf5caca47e [0,1,0,0,0,1|1,0,0]=3 402 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [0,1,0,0,0,1|2,0,0]=4 403 B10R1.17 FCNCc1ccccn1 14327276004818c05fc55a3ce987673c [0,1,0,0,0,1|2,0,0]=4 404 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [0,1,0,0,0,1|2,0,0]=4 405 B10R1.17 FCNCc1cccnn1 bce279edad5329c009e9b508fb1aee5b [0,1,0,0,0,1|2,0,0]=4 406 B10R1.17 FCNCc1ccncc1 f86a74e0d1d92929ce958fb624476f4c [0,1,0,0,0,1|2,0,0]=4 407 B10R1.17 FCNCc1ccncn1 86997bd0980cabeeea4fdf8cfb1980d9 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.17 FCNCc1cnccn1 b6859870939f07ca1816c457c1ced744 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.17 FCNCc1ncccn1 631804a848c2f7581758f33d98025650 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [0,1,0,0,0,1|1,1,0]=4 411 B10R1.17 FCOCc1ccccn1 52de5aacdb8cde16edb0cbea31183c40 [0,1,0,0,0,1|1,1,0]=4 412 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [0,1,0,0,0,1|1,1,0]=4 413 B10R1.17 FCOCc1cccnn1 be211298f0d8017761d0379df43db85c [0,1,0,0,0,1|1,1,0]=4 414 B10R1.17 FCOCc1ccncc1 90104d817a6745d762aa8ebc5bd6efa2 [0,1,0,0,0,1|1,1,0]=4 415 B10R1.17 FCOCc1ccncn1 095b77e062a0a54a0c13c35fafab8dee [0,1,0,0,0,1|1,1,0]=4 416 B10R1.17 FCOCc1cnccn1 a11466f76fde0f26dadf75b6a45d47be [0,1,0,0,0,1|1,1,0]=4 417 B10R1.17 FCOCc1ncccn1 01a146b5b6805692958b2312a16de3b5 [0,1,0,0,0,1|1,1,0]=4 418 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [0,1,0,0,0,1|2,0,0]=4 420 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.17 OCNCc1cccnn1 ab22a6b6bf709ff19959feb80ebef395 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [0,1,0,0,0,1|2,0,0]=4 423 B10R1.17 OCNCc1ccncn1 e1601b835614d257d03e1a317c6e849b [0,1,0,0,0,1|2,0,0]=4 424 B10R1.17 OCNCc1cnccn1 2e97e3c7cc39869beec41193ed233122 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.17 OCNCc1ncccn1 c2a1de97786ff8120b7277138f237b3a [0,1,0,0,0,1|2,0,0]=4 426 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [0,2,0,0,0,0|2,0,0]=4 427 B10R1.16 CCCNc1cc(=O)[nH]o1 5fa93b769c1ecc30b2f5ef33a751badd [0,2,0,0,0,0|2,0,0]=4 428 B10R1.16 CCCNc1cc(no1)C 4cd898bb0eb743cdc1e7bd4a070e09ef [0,2,0,0,0,0|2,0,0]=4 429 B10R1.16 CCCNc1ccc(o1)C c15cbb66fc0595155ee50bd4d65f2e30 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.16 CCCNc1ccc(s1)Br d67cb3d457fa6cf80e3e2c59482f42e5 [0,2,0,0,0,0|1,1,0]=4 431 B10R1.16 CCCNc1ccc(s1)C 4656c1aca212ab18a8f6085aa267e6ec [0,2,0,0,0,0|1,1,0]=4 432 B10R1.16 CCCNc1ccc(s1)F 7a6964caf7bc896119cb23f5e06f80e0 [0,2,0,0,0,0|1,1,0]=4 433 B10R1.16 CCCNc1cnc(o1)C e9243ed0d572344f2bc937094c1fe72b [0,2,0,0,0,0|2,0,0]=4 434 B10R1.16 CCCNc1nc(co1)Br 7994e5170c711d603d3c5b98e0d26e2d [0,2,0,0,0,0|2,0,0]=4 435 B10R1.16 CCCNc1nc(co1)C e12fce9116fee8cecf7ae9d80faef79f [0,2,0,0,0,0|2,0,0]=4 436 B10R1.16 CCCNc1ncc(o1)C c643b0d64a3bb2545e792cc7086db40c [0,2,0,0,0,0|2,0,0]=4 437 B10R1.16 CCCOC1C=CC(=O)O1 ec85feedde51258c7e7f449139265d27 [0,2,0,0,0,0|1,0,1]=4 438 B10R1.16 CCCOc1cc(cs1)C 6af96983f61620485453ee6cff89eec5 [0,2,0,0,0,0|1,1,0]=4 439 B10R1.16 CCCOc1ccc(s1)Br 047f3dff24e1e58ec72e6e3655f722cc [0,2,0,0,0,0|1,1,0]=4 440 B10R1.16 CCNCc1cc(=O)[nH]o1 9b4aa905fe627bee9bd7f4092be7060a [0,2,0,0,0,0|2,0,0]=4 441 B10R1.16 CCNCc1cc(c[nH]1)Br 76646da77f051189130f54ffcee40c89 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.16 CCNCc1cc(co1)C 58c09494a030fd296b651bd5ed8df90b [0,2,0,0,0,0|1,0,0]=3 443 B10R1.16 CCNCc1cc(cs1)Br 9f9cea4e8b3c873ee0ecb46adff7a6a3 [0,2,0,0,0,0|1,1,0]=4 444 B10R1.16 CCNCc1cc(cs1)C dbab6bfc215deb5a37f4804c02ee14c6 [0,2,0,0,0,0|1,1,0]=4 445 B10R1.16 CCNCc1cc(cs1)Cl fa26c9fdbbda03efa1cf3422cce3c686 [0,2,0,0,0,0|1,1,0]=4 446 B10R1.16 CCNCc1cc(no1)Br 6ded0d935885d42f8a70a5f1833a1022 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.16 CCNCc1cc(no1)C a0f234091fe3d3bcf957627f0414a01f [0,2,0,0,0,0|2,0,0]=4 448 B10R1.16 CCNCc1ccc(o1)Br bc69cf8af8c6eedf459de13024a20023 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [0,2,0,0,0,0|1,0,0]=3 450 B10R1.16 CCNCc1ccc(s1)Br 1f034ca5ef701eac316ccc0a257fd19b [0,2,0,0,0,0|1,1,0]=4 451 B10R1.16 CCNCc1ccc(s1)C 633920b9a1ab976873e39a09724124a0 [0,2,0,0,0,0|1,1,0]=4 452 B10R1.16 CCNCc1ccc(s1)Cl eb5d940bb801b29d0ceead80cf934ae6 [0,2,0,0,0,0|1,1,0]=4 453 B10R1.16 CCNCc1ccc(s1)F a72152baa87721f1d47a0a4b71cc3760 [0,2,0,0,0,0|1,1,0]=4 454 B10R1.16 CCNCc1nc(co1)C df18691f07cb49e128b797b726731803 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.16 CCNCc1ncc(o1)Br f17a15deabe85b24480b81315828e49a [0,2,0,0,0,0|2,0,0]=4 456 B10R1.16 CCNCc1ncc(o1)C 35b6d871ba2e0fb183f83d8b17685e75 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.16 CCOCC1C=CC(=O)O1 3d114fda6fc7a21d274206eff0482ba4 [0,2,0,0,0,0|0,1,1]=4 458 B10R1.16 CCOC[C@@H]1C=CC(=O)O1 4a5383ca9bc98f8e8a857df0bb6a3aea [0,2,0,0,0,0|0,1,1]=4 459 B10R1.16 CCOCc1cc(co1)Br 488d484e666bbb5ae0db450dbc11796e [0,2,0,0,0,0|0,1,0]=3 460 B10R1.16 CCOCc1cc(cs1)Br 5c550eeaf146240dd4a6f311ffbdec3b [0,2,0,0,0,0|0,2,0]=4 461 B10R1.16 CCOCc1cc(cs1)C ef178c85c6f61e99838f3722990323ba [0,2,0,0,0,0|0,2,0]=4 462 B10R1.16 CCOCc1cc(cs1)Cl 19caaaf05436b8667c2172f188e1dcb4 [0,2,0,0,0,0|0,2,0]=4 463 B10R1.16 CCOCc1cc(no1)Br d73b5c9baf29613b5ffb4fd3f632422a [0,2,0,0,0,0|1,1,0]=4 464 B10R1.16 CCOCc1cc(no1)C 0ffb0f53dfc89e7a2fa99ab215248675 [0,2,0,0,0,0|1,1,0]=4 465 B10R1.16 CCOCc1ccc(o1)Br 9782731d1ae87bec8e3774d5ccde32bc [0,2,0,0,0,0|0,1,0]=3 466 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [0,2,0,0,0,0|0,1,0]=3 467 B10R1.16 CCOCc1ccc(s1)C 740ed4a0b292010289640c9d52c76cdf [0,2,0,0,0,0|0,2,0]=4 468 B10R1.16 CCOCc1ccc(s1)Cl 273e39c7d162d5b650c0de66fd1919d8 [0,2,0,0,0,0|0,2,0]=4 469 B10R1.16 CCOCc1ccc(s1)F 2123043b331712dae23230fd8878861c [0,2,0,0,0,0|0,2,0]=4 470 B10R1.16 CCOCc1cnc(o1)C 2c0ad115b7737012f0b8e92cfb734642 [0,2,0,0,0,0|1,1,0]=4 471 B10R1.16 CCOCc1nc(co1)Br 393f68cc0454364aa453e3f1aee599a5 [0,2,0,0,0,0|1,1,0]=4 472 B10R1.16 CCOCc1ncc(o1)Br 7af10f46a26b39647fa554a9705a1204 [0,2,0,0,0,0|1,1,0]=4 473 B10R1.16 COCNc1cc(=O)[nH]o1 b27765db005c03ea843868a798bab137 [0,2,0,0,0,0|1,1,0]=4 474 B10R1.16 COCNc1cc(no1)C 82909b640ade68f42e28f9efb71193ac [0,2,0,0,0,0|1,1,0]=4 475 B10R1.16 COCNc1ccc(s1)Br 0f565c8a38f0c97c349f31cbf3f243e9 [0,2,0,0,0,0|0,2,0]=4 476 B10R1.16 COCNc1ccc(s1)C 0d400194d1ff72f419596482873fbaac [0,2,0,0,0,0|0,2,0]=4 477 B10R1.16 COCNc1cnc(o1)C 6ed6151506ef51d88a0ebfe2773dd0da [0,2,0,0,0,0|1,1,0]=4 478 B10R1.16 COCNc1nc(co1)Br 1f994bdda7aa5d4f05d1c253fe60d5a3 [0,2,0,0,0,0|1,1,0]=4 479 B10R1.16 COCNc1nc(co1)C d5f26da14ca7125a6c2df151828b65f9 [0,2,0,0,0,0|1,1,0]=4 480 B10R1.16 COCNc1ncc(o1)C c648ca6baf8fa602dc28430a5407487d [0,2,0,0,0,0|1,1,0]=4 481 B10R1.16 COCOC1C=CC(=O)O1 1f845ff16db20107f7dca6a5a924d553 [0,2,0,0,0,0|0,1,1]=4 482 B10R1.16 COCOc1cc(cs1)C fcb9a730d266f881ad3036a278dc5505 [0,2,0,0,0,0|0,2,0]=4 483 B10R1.16 COCOc1ccc(s1)Br ae909183b85c49b85b2aee55c741dd92 [0,2,0,0,0,0|0,2,0]=4 484 B10R1.16 CSCNc1cc(=O)[nH]o1 905da7e6e01d4a59d9bc1991e0f03d35 [0,2,0,0,0,0|1,0,0]=3 485 B10R1.16 CSCNc1cc([nH]n1)Br 774e91fbf69b9c891fe4c813e12c2b4d [0,2,0,0,0,0|2,0,0]=4 486 B10R1.16 CSCNc1cc([nH]n1)C b4ab431b2ba6966ee320f31fd98fce16 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.16 CSCNc1cc([nH]n1)F 9b860022d3a55a64d13029fee97f659c [0,2,0,0,0,0|2,0,0]=4 488 B10R1.16 CSCNc1cc(n[nH]1)Cl 554eef4bd7216ce2d1dfd3aaa05666b2 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.16 CSCNc1cc(no1)C 929bd3beeb47b84d88f1007950b31284 [0,2,0,0,0,0|1,0,0]=3 490 B10R1.16 CSCNc1cc(ns1)C 2369e0177f3b54a43099fb82d869a632 [0,2,0,0,0,0|1,1,0]=4 491 B10R1.16 CSCNc1cc(on1)C 04b68866d4f0ffb4f3fa04ef45e211ed [0,2,0,0,0,0|2,0,0]=4 492 B10R1.16 CSCNc1cc(sn1)Br 97d8db2a952c350fd81ebe5394f32d95 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.16 CSCNc1ccc(s1)Br c3432c7c53aac6beec6d6f0996a180c6 [0,2,0,0,0,0|0,1,0]=3 494 B10R1.16 CSCNc1ccc(s1)C d8b40ddcb9477b1637a2995cbfb2b9e4 [0,2,0,0,0,0|0,1,0]=3 495 B10R1.16 CSCNc1ccn(n1)C 498e3f2c61cbcdb3aec3099124aca695 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.16 CSCNc1cn(cn1)C 690b17ae2c8cf5de4b4accee1598417e [0,2,0,0,0,0|2,0,0]=4 497 B10R1.16 CSCNc1cnc(o1)C ed2298fc090a532ba89445a239ac2513 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.16 CSCNc1cnc(s1)Br 2ffe3763b9216ce6b0e042eb1b69e8a5 [0,2,0,0,0,0|1,1,0]=4 499 B10R1.16 CSCNc1cnc(s1)C 6f6076775eb56a8f8b0f2083070a86f0 [0,2,0,0,0,0|1,1,0]=4 500 B10R1.16 CSCNc1cnc(s1)S 0daf6a397dd0f3cf1856c652eff187ba [0,2,0,0,0,0|1,1,0]=4 501 B10R1.16 CSCNc1csc(n1)Br 33c1801532268d2f285e56dd5dde95e6 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.16 CSCNc1nc(c[nH]1)Br e23a0c459b90ec45871f1471c470e4f4 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.16 CSCNc1nc(co1)Br 1901789d52f02e473c69274deb319720 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.16 CSCNc1nc(co1)C efd3d617aaad91f2a6e45188c7a73a22 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.16 CSCNc1nc(cs1)Br 5191cf9fb033351b2cedd241ebc2c3af [0,2,0,0,0,0|1,1,0]=4 506 B10R1.16 CSCNc1nc(cs1)C d69e003011f8291ac0830bcaf782965b [0,2,0,0,0,0|1,1,0]=4 507 B10R1.16 CSCNc1nc(cs1)Cl 277b4318380cffbe26af60bfd74e4855 [0,2,0,0,0,0|1,1,0]=4 508 B10R1.16 CSCNc1nc(no1)C 389531be9bb3547855bcfdf511839f18 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.16 CSCNc1ncc([nH]1)C 67d5e0fdd7a169b2da1354b318fdc4e9 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.16 CSCNc1ncc(o1)C f9c880cdded5edc8ecd86fdef5b9988e [0,2,0,0,0,0|1,0,0]=3 511 B10R1.16 CSCNc1ncc(s1)Cl cf04d0b24145cc0b682f9244207169d8 [0,2,0,0,0,0|1,1,0]=4 512 B10R1.16 CSCNc1nnc(o1)Br 27b0ef37d00e184ea769d4b97d8521ac [0,2,0,0,0,0|2,0,0]=4 513 B10R1.16 CSCNc1nnc(o1)C 66da302aa259bd563a680c63048792b1 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.16 CSCOC1=CC(=O)CC1 c6fbd2a22c2e376b9e078a11836cb4c7 [0,2,0,0,0,0|1,0,1]=4 515 B10R1.16 CSCOC1=CC(=O)NC1 f9ce8e561123c1fdf59a0cfd685964bf [0,2,0,0,0,0|2,0,0]=4 516 B10R1.16 CSCOC1=COC(=O)C1 fcf198d6cbb1d3f4c78faacc862b69f0 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.16 CSCOC1C=CC(=O)C1 2a2e7297dc0c2c3ed9f9726ad91e9508 [0,2,0,0,0,0|1,0,1]=4 518 B10R1.16 CSCOC1C=CC(=O)O1 8c3778b55b7edf41225873b14db1c287 [0,2,0,0,0,0|0,0,1]=3 519 B10R1.16 CSCO[C@H]1C=CC(=O)C1 691e66bdf9dd4564c051e51d7ea7c90a [0,2,0,0,0,0|1,0,1]=4 520 B10R1.16 CSCOc1cc(cs1)C f9ebb5abb987b03b4853e3c8aa56fa17 [0,2,0,0,0,0|0,1,0]=3 521 B10R1.16 CSCOc1cc(sn1)Cl 1cb17c5e52685f7a6382ea772ec7a039 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.16 CSCOc1ccc(s1)Br 6a98c46e6f1c9c8a8f13dfa0e8f6ee89 [0,2,0,0,0,0|0,1,0]=3 523 B10R1.16 CSCOc1ccn(n1)C ec999693365dddceeba29595a2e749c7 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.16 CSCOc1nc(cs1)Br f822b6e3c660a57a9383050738868bd9 [0,2,0,0,0,0|1,1,0]=4 525 B10R1.16 CSCOc1nc(no1)C d5268bf1d450dcb5f0abb7a990e18abe [0,2,0,0,0,0|2,0,0]=4 526 B10R1.16 CSCOn1cc(cn1)I 8b2e804a5ba6204091e71c8b71763252 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.16 Cc1cc(on1)CNCF 667f2887fa4be5a242a4cc083e4f6d12 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.16 Cc1cc(on1)CNCO c7e09becd8a2df15782c9d32fb0de6c2 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.16 Cc1cc(on1)COCF fe12643d9e1327980788131c63e6d971 [0,2,0,0,0,0|1,1,0]=4 530 B10R1.16 Cc1ccc(o1)CNC=O 02731b87228ef2993aa4f8004ecf0c06 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.16 Cc1ccc(o1)CNCF 13f986aeea8b775a60238e693104a65f [0,2,0,0,0,0|1,0,0]=3 532 B10R1.16 Cc1ccc(o1)CNCO d041abacf9ec57978eefc828a709cf3e [0,2,0,0,0,0|1,0,0]=3 533 B10R1.16 Cc1ccc(o1)COCF b0346ecdfb2d15ace5ee263215c686ed [0,2,0,0,0,0|0,1,0]=3 534 B10R1.16 Cc1ccc(o1)NCC#N 190cf4c657df20698b87afd68e2d6f67 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.16 Cc1ccc(o1)NCCBr 94c6919c892b86247ed83a8027489e92 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.16 Cc1ccc(o1)NCCF 5157fb3f16887366e8eb971894b56115 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.16 Cc1ccc(o1)NCCI f698b019425ec2fdad0493a890dbe883 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.16 Cc1ccc(o1)NCCO 0ad3b90a9625fc21f82fe655b7cdc742 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.16 Cc1ccc(o1)NCCS 5aa97c71f850e633340c564b9c419f25 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.16 Cc1ccc(s1)CNCF d732555511adaee19febcdf5c9f101e4 [0,2,0,0,0,0|1,1,0]=4 541 B10R1.16 Cc1ccc(s1)CNCO df761bf9bd328a42f412210e8a880891 [0,2,0,0,0,0|1,1,0]=4 542 B10R1.16 Cc1ccc(s1)COCF 24d72e0e355ae20dc2513d65b0a4cbac [0,2,0,0,0,0|0,2,0]=4 543 B10R1.16 Cc1cnc(o1)CNCF 887982b0956187d13e5ca95fc2a335b9 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.16 Cc1cnc(o1)CNCO e86ba695003116eb1c5f3a5d07e45927 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.16 Cc1coc(c1)CNC=O 314a057a6471b418ab58d9c60bd4c733 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.16 Cc1coc(c1)CNCF b7ce9c127ff36dd79c12422d633b5981 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.16 Cc1coc(c1)CNCO 5b5b73a61003865e547d61948f29c963 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.16 Cc1coc(c1)NCCS 36501a2f5e4e2614dda1f50652f09f1e [0,2,0,0,0,0|2,0,0]=4 549 B10R1.16 Cc1coc(n1)CNCF 6cdef424027706646f1b7b420713b0eb [0,2,0,0,0,0|2,0,0]=4 550 B10R1.16 Cc1coc(n1)CNCO 77f5cedf2efaa14fcbc8adda6bf0a177 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.16 Cc1csc(c1)CNCF dcf0cdcd942ff140cdb186a57beb6da6 [0,2,0,0,0,0|1,1,0]=4 552 B10R1.16 Cc1csc(c1)CNCO 2079db41cb1b3c0fb4eedffcef768984 [0,2,0,0,0,0|1,1,0]=4 553 B10R1.16 Cc1csc(c1)COCF cae8b1ddcb91b33f4770c40eb2054fdc [0,2,0,0,0,0|0,2,0]=4 554 B10R1.16 Cc1ncc(o1)CNCO 300af1f552d089b03cf0d7de638981c3 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.16 FCNCc1cc(c[nH]1)Br d2b2443a1220f68c506ba4b65fc2abe1 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.16 FCNCc1cc(cs1)Br 309f3020132fe7ad126bec1cb6d5cc02 [0,2,0,0,0,0|1,1,0]=4 557 B10R1.16 FCNCc1cc(no1)Br 95ea94ba18f48898bc78fbfe95926aa3 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.16 FCNCc1ccc(o1)Br 8d188da50f6ce5d498c0359674450abb [0,2,0,0,0,0|1,0,0]=3 559 B10R1.16 FCNCc1ccc(s1)Cl 050845d05406ae831315eb52a5ec3510 [0,2,0,0,0,0|1,1,0]=4 560 B10R1.16 FCNCc1ccc(s1)F c903cc5d02f4ca4d60b0f9841874d299 [0,2,0,0,0,0|1,1,0]=4 561 B10R1.16 FCNCc1ncc(o1)Br 80023e9a1de85c4f70e7cc68e148baa3 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.16 FCOCc1cc(co1)Br 144482be31b09c80ca450d7ade103929 [0,2,0,0,0,0|0,1,0]=3 563 B10R1.16 FCOCc1cc(cs1)Br 6332904d215b5ecfc50b670586fc74dc [0,2,0,0,0,0|0,2,0]=4 564 B10R1.16 FCOCc1cc(cs1)Cl 246f77a253a13b6c8532211ac41478b9 [0,2,0,0,0,0|0,2,0]=4 565 B10R1.16 FCOCc1cc(no1)Br 73ddbd987888e402ce89ccf076b9580e [0,2,0,0,0,0|1,1,0]=4 566 B10R1.16 FCOCc1ccc(o1)Br d573f665c7a18d34b7805e178956ebed [0,2,0,0,0,0|0,1,0]=3 567 B10R1.16 FCOCc1ccc(s1)Br d4f5a1571dd5d133b0edfd90a778ea0d [0,2,0,0,0,0|0,2,0]=4 568 B10R1.16 FCOCc1ccc(s1)Cl e6a695fbf6eb79ea63a630a6fb8d2015 [0,2,0,0,0,0|0,2,0]=4 569 B10R1.16 FCOCc1ccc(s1)F a0a8015ed743e4d11b548baad55c2b40 [0,2,0,0,0,0|0,2,0]=4 570 B10R1.16 FCOCc1nc(co1)Br 0469468d565e69c316fe5436ff58cd5f [0,2,0,0,0,0|1,1,0]=4 571 B10R1.16 FCOCc1ncc(o1)Br 0414c06dd873d3c69372ef43c2ef8c0c [0,2,0,0,0,0|1,1,0]=4 572 B10R1.16 O=C1C=CC(O1)COCF ae14c880c222293ca41439b8237ca664 [0,2,0,0,0,0|0,1,1]=4 573 B10R1.16 O=C1C=C[C@H](O1)COCF 272a0ff2c0404aaed7f07cbab8919967 [0,2,0,0,0,0|0,1,1]=4 574 B10R1.16 O=CNCc1ccc(o1)Br 757e0e439181d815d74ee7edde717301 [0,2,0,0,0,0|1,0,1]=4 575 B10R1.16 O=c1cc(o[nH]1)CNCF 1b842dc3ec635f03d43180f524cc14a7 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.16 O=c1cc(o[nH]1)CNCO bc025715779bdd65e7b8537173f323c5 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.16 OCNCc1cc(c[nH]1)Br 717ee8feafff3c4f47218d7b4b4dcbd6 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.16 OCNCc1cc(cs1)Br 5d1d413ffc07e57dec1ff88ee6791bf2 [0,2,0,0,0,0|1,1,0]=4 579 B10R1.16 OCNCc1cc(cs1)Cl 4cf3e0562e22c0bfb6f1a90d357197f0 [0,2,0,0,0,0|1,1,0]=4 580 B10R1.16 OCNCc1cc(no1)Br e4be4e029bf259fdb953a61ab2275036 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.16 OCNCc1ccc(o1)Br 08a281115b04d71cce5c630e22bdaf6c [0,2,0,0,0,0|1,0,0]=3 582 B10R1.16 OCNCc1ccc(s1)Br 228654157caa9f1e510203fea88c980d [0,2,0,0,0,0|1,1,0]=4 583 B10R1.16 OCNCc1ccc(s1)Cl a536ae2dfd77bc428fb4ed4b4fc5b317 [0,2,0,0,0,0|1,1,0]=4 584 B10R1.16 OCNCc1ccc(s1)F 1b50af2da11a75aa7e9b2aa950182c4a [0,2,0,0,0,0|1,1,0]=4 585 B10R1.16 OCNCc1ncc(o1)Br 16ac41873d2bcb27248004c4bb8caab3 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.11 CC(NC=O)c1ccco1 ddbe85663f32152ae7a905d80f70dce5 [0,2,0,0,0,0|1,0,1]=4 587 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [0,2,0,0,0,0|1,0,0]=3 588 B10R1.11 CC(NCF)c1cccs1 538db975b17beb16d09c569873cd1017 [0,2,0,0,0,0|1,1,0]=4 589 B10R1.11 CC(NCF)c1ncco1 e60a7bfc7f8fa9566dc005e280a3ecb2 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.11 CC(NCO)c1cccs1 57f1df017ba61f98516629346c2ff8bc [0,2,0,0,0,0|1,1,0]=4 592 B10R1.11 CC(NCO)c1ncco1 a0ab4d37cc331fc13d3bfec973672bb3 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [0,2,0,0,0,0|0,1,0]=3 594 B10R1.11 CC(OCF)c1cccs1 5b9b19dbade8c35451c1c58ea48ca5f8 [0,2,0,0,0,0|0,2,0]=4 595 B10R1.11 CCCN(C)c1ncco1 27c97316d262b6ffcd37b67051233e1e [0,2,0,0,0,0|2,0,0]=4 596 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,2,0,0,0,0|1,1,0]=4 598 B10R1.11 CCNC(C)c1ncco1 c4d00da9a44dea11f4b3af43c48c7394 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,2,0,0,0,0|1,1,0]=4 600 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,2,0,0,0,0|1,0,0]=3 601 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,2,0,0,0,0|1,1,0]=4 602 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,2,0,0,0,0|0,1,0]=3 603 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,2,0,0,0,0|0,2,0]=4 604 B10R1.11 CCOC(C)c1ncco1 7cec3e492c517a86e7c86f971db66cb7 [0,2,0,0,0,0|1,1,0]=4 605 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,2,0,0,0,0|0,2,0]=4 606 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,2,0,0,0,0|0,1,0]=3 607 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,2,0,0,0,0|0,2,0]=4 608 B10R1.11 COCN(C)c1ncco1 fd4e73b073e55a294bac171ebf3cb532 [0,2,0,0,0,0|1,1,0]=4 609 B10R1.11 CSCN(C)c1cc[nH]n1 2ef41bc2e052592ae97aca2cc7bbef2c [0,2,0,0,0,0|2,0,0]=4 610 B10R1.11 CSCN(C)c1ccon1 d3cbdb963246424833940bdacaeec6c2 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.11 CSCN(C)c1ccsc1 5dacfe796f0361a265bff51a2934aa26 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.11 CSCN(C)c1ncc[nH]1 b4b3e108f218a61917c27ebb678a61b6 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.11 CSCN(C)c1ncco1 35af9b657fe866d2fb676c6afebe416e [0,2,0,0,0,0|1,0,0]=3 614 B10R1.11 CSCN(C)c1nccs1 fa4438ba7576130f4979aa3efe2232b5 [0,2,0,0,0,0|1,1,0]=4 615 B10R1.11 CSCN(C)c1nnco1 9f6822daa08896a5e8885e8459a13a9d [0,2,0,0,0,0|2,0,0]=4 616 B10R1.11 C[C@@H](NC=O)c1ccco1 dabf68fc67919a7d4d3c16b33f054bdc [0,2,0,0,0,0|1,0,1]=4 617 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [0,2,0,0,0,0|1,0,0]=3 618 B10R1.11 C[C@@H](NCF)c1cccs1 1c720c02f6baa0f5262fb0f2cb2f15eb [0,2,0,0,0,0|1,1,0]=4 619 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.11 C[C@@H](NCO)c1cccs1 d8a308363d883f0d052036fc489c8b20 [0,2,0,0,0,0|1,1,0]=4 621 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [0,2,0,0,0,0|0,1,0]=3 622 B10R1.11 C[C@@H](OCF)c1cccs1 bcd98948f5e8dc8098aaeb4e37474db9 [0,2,0,0,0,0|0,2,0]=4 623 B10R1.11 C[C@H](NCF)c1cccs1 ac6bf8c5071a01ff5d1c8c419011645d [0,2,0,0,0,0|1,1,0]=4 624 B10R1.11 C[C@H](NCO)c1cccs1 6e24574b17ea4cff857ea41b549a952c [0,2,0,0,0,0|1,1,0]=4 625 B10R1.11 C[C@H](OCF)c1cccs1 eb659903705b1dadf6a4c506eb098d02 [0,2,0,0,0,0|0,2,0]=4 626 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [0,2,0,0,0,0|1,0,0]=3 627 B10R1.21 BrCCNCc1cccs1 43e40805d56566d68eaea0b456027ed9 [0,2,0,0,0,0|1,1,0]=4 628 B10R1.21 BrCCNCc1ccno1 d0ef94ba35f381890ee843c9aafbfa2c [0,2,0,0,0,0|2,0,0]=4 629 B10R1.21 BrCCNCc1cnco1 10185282b0b91776fd333909a812231f [0,2,0,0,0,0|2,0,0]=4 630 B10R1.21 BrCCNCc1ncco1 cb7b4723ac24e6794a0928e76b66d36e [0,2,0,0,0,0|2,0,0]=4 631 B10R1.21 C#CCCOc1ccco1 b5d30f180675da8f0d260f78d02e291d [0,2,0,0,0,0|1,0,1]=4 632 B10R1.21 C#CCNCc1ccc[nH]1 b3eb84b886ab24a8ef6acc43961644c1 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.21 C#CCNCc1ccco1 44af6fa419671e631643a59b9fd5d2de [0,2,0,0,0,0|1,0,0]=3 634 B10R1.21 C#CCNCc1cccs1 17e235fad0f89fbc0ae4f8cee9638478 [0,2,0,0,0,0|1,1,0]=4 635 B10R1.21 C#CCNCc1ccno1 8f6d355c6a11c8552ebf5f7897c62f81 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.21 C#CCNCc1cnco1 eccb8680816751fdd842413cbc448355 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.21 C#CCNCc1ncco1 7852cb07071a013b95949e0bdc5d35a9 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.21 C#CCOCc1ccc[nH]1 342011d2e700371f17478ba24b85f1dc [0,2,0,0,0,0|1,1,0]=4 639 B10R1.21 C#CCOCc1ccco1 5944738cf231c28e977cbf2d03b15b1c [0,2,0,0,0,0|0,1,0]=3 640 B10R1.21 C#CCOCc1cccs1 25f36d5e2089a7285a1767341ced407d [0,2,0,0,0,0|0,2,0]=4 641 B10R1.21 C#CCOCc1ccno1 85e718eb1ea8f749c748057861ee3f4b [0,2,0,0,0,0|1,1,0]=4 642 B10R1.21 C#CCOCc1cnco1 eca3c293b2974452e4676050dcdd5124 [0,2,0,0,0,0|1,1,0]=4 643 B10R1.21 C#CCOCc1ncco1 bb2bfeca21f9780578c54240d504779a [0,2,0,0,0,0|1,1,0]=4 644 B10R1.21 C/C=C/CNc1cccs1 ab1bac522f2802f13389e7bc621b424e [0,2,0,0,0,0|1,1,0]=4 645 B10R1.21 C/C=C/CNc1ccno1 23139f6cd18f91f89a39b2616a8415ac [0,2,0,0,0,0|2,0,0]=4 646 B10R1.21 C/C=C/CNc1ncco1 a99b04d5727f3394e742350dcd2a43dc [0,2,0,0,0,0|2,0,0]=4 647 B10R1.21 C/C=C/COc1ccco1 49607601c603ccca16018edf0f4cebb7 [0,2,0,0,0,0|1,0,0]=3 648 B10R1.21 C/C=C/COc1cccs1 6c0f88620d8d632f9895acdbb7bf8cde [0,2,0,0,0,0|1,1,0]=4 649 B10R1.21 C/C=C\CNc1cccs1 539500d96ef7d01796d073eba3a04290 [0,2,0,0,0,0|1,1,0]=4 650 B10R1.21 C/C=C\CNc1ccno1 0a7b9035f3f70a6a87e981bbd3d2529a [0,2,0,0,0,0|2,0,0]=4 651 B10R1.21 C/C=C\CNc1ncco1 b9794d08e5e8c44ca000e5fbc54ce017 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.21 C/C=C\COc1ccco1 081cefe6a82f756391efccda3cbbafc4 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.21 C/C=C\COc1cccs1 35e222574ca63276b07811b3cc3d7e9e [0,2,0,0,0,0|1,1,0]=4 654 B10R1.21 C=CCCNc1ccco1 2dc99c635e0fd320f4473dac533cdebc [0,2,0,0,0,0|1,0,1]=4 655 B10R1.21 C=CCCOc1ccco1 c4a6b7713487c646ea5190de2827309c [0,2,0,0,0,0|1,0,1]=4 656 B10R1.21 C=CCNCc1ccc[nH]1 931f997bc11f461d65711fe2c0ff25c1 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.21 C=CCNCc1ccco1 9569a46dbd5a5ad2155580854b10270e [0,2,0,0,0,0|1,0,0]=3 658 B10R1.21 C=CCNCc1cccs1 8ff65b198721717afd435846cfac80e2 [0,2,0,0,0,0|1,1,0]=4 659 B10R1.21 C=CCNCc1ccno1 b375fe1a6ccfa497f9685474a3cd75cb [0,2,0,0,0,0|2,0,0]=4 660 B10R1.21 C=CCNCc1cnco1 c139c55185d6e6db7394ff972eabb861 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.21 C=CCNCc1ncco1 283056a38451eb505f08b9188ddf6d8e [0,2,0,0,0,0|2,0,0]=4 662 B10R1.21 C=CCOCc1ccc[nH]1 ffe6cf4574afcacd3224839cabcff224 [0,2,0,0,0,0|1,1,0]=4 663 B10R1.21 C=CCOCc1ccco1 21d0bb8c5631652a2d6e9c845ea783ac [0,2,0,0,0,0|0,1,0]=3 664 B10R1.21 C=CCOCc1cccs1 901333cab4ee1e0e45256b54446cfe89 [0,2,0,0,0,0|0,2,0]=4 665 B10R1.21 C=CCOCc1ccno1 78c98067b2e44fbcd6ebc84d552072f2 [0,2,0,0,0,0|1,1,0]=4 666 B10R1.21 C=CCOCc1cnco1 a95eb00ccbc3c3f5b174d223b8e5d13d [0,2,0,0,0,0|1,1,0]=4 667 B10R1.21 C=CCOCc1ncco1 32f9b5e6b015a12dc8af731bbcc8130f [0,2,0,0,0,0|1,1,0]=4 668 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [0,2,0,0,0,0|1,0,0]=3 669 B10R1.21 CC=CCNc1cccs1 73f844b5dcd117551bcb6a9fa79f218f [0,2,0,0,0,0|1,1,0]=4 670 B10R1.21 CC=CCNc1ccno1 b259316349da6e678220bcedfbe14088 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.21 CC=CCNc1ncco1 460da12e3f54d1c642f3bcff6f684f1d [0,2,0,0,0,0|2,0,0]=4 672 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [0,2,0,0,0,0|1,1,0]=4 674 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [0,2,0,0,0,0|2,0,0]=4 675 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [0,2,0,0,0,0|1,1,0]=4 678 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [0,2,0,0,0,0|1,0,0]=3 680 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [0,2,0,0,0,0|1,1,0]=4 681 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [0,2,0,0,0,0|2,0,0]=4 682 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [0,2,0,0,0,0|2,0,0]=4 684 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [0,2,0,0,0,0|1,1,0]=4 685 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [0,2,0,0,0,0|0,1,0]=3 686 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [0,2,0,0,0,0|0,2,0]=4 687 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [0,2,0,0,0,0|1,1,0]=4 688 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [0,2,0,0,0,0|1,1,0]=4 689 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [0,2,0,0,0,0|1,1,0]=4 690 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [0,2,0,0,0,0|1,0,0]=3 692 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [0,2,0,0,0,0|1,1,0]=4 693 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [0,2,0,0,0,0|1,1,0]=4 694 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [0,2,0,0,0,0|0,1,0]=3 695 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [0,2,0,0,0,0|0,2,0]=4 696 B10R1.21 CCOCNc1cccs1 fdc9729af7149ad96898b9c1e1995195 [0,2,0,0,0,0|0,2,0]=4 697 B10R1.21 CCOCNc1ccno1 529b44871c8dfd34bf68b0175f50e619 [0,2,0,0,0,0|1,1,0]=4 698 B10R1.21 CCOCNc1ncco1 250f1feeca8dbd10b67fead60ad657bd [0,2,0,0,0,0|1,1,0]=4 699 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [0,2,0,0,0,0|0,1,0]=3 700 B10R1.21 CCOCOc1cccs1 f1905e8f0a82ed892bc2c970faf9dff2 [0,2,0,0,0,0|0,2,0]=4 701 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [0,2,0,0,0,0|0,1,0]=3 702 B10R1.21 COCCNc1cccs1 4679346317f357faed462ffad2613f4e [0,2,0,0,0,0|0,2,0]=4 703 B10R1.21 COCCNc1ccno1 adedf48200497bd8ece47a916d2f6e29 [0,2,0,0,0,0|1,1,0]=4 704 B10R1.21 COCCNc1ncco1 27ef3b5cdb6ddb84737afcdb0a8564a1 [0,2,0,0,0,0|1,1,0]=4 705 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [0,2,0,0,0,0|0,1,0]=3 706 B10R1.21 COCCOc1cccs1 376aff47162023b820da889700ce60b2 [0,2,0,0,0,0|0,2,0]=4 707 B10R1.21 COCNCc1ccc[nH]1 beb90f93b0b4d35af75c15067af5f89f [0,2,0,0,0,0|1,1,0]=4 708 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [0,2,0,0,0,0|0,1,0]=3 709 B10R1.21 COCNCc1cccs1 75615c372e8efa80d8b79813eacfd51c [0,2,0,0,0,0|0,2,0]=4 710 B10R1.21 COCNCc1ccno1 15ef8536fda72fd586a760f6b4c8c70d [0,2,0,0,0,0|1,1,0]=4 711 B10R1.21 COCNCc1cnco1 0f6f0c3ae363e9893583c8f12ea2cd44 [0,2,0,0,0,0|1,1,0]=4 712 B10R1.21 COCNCc1ncco1 d043a8b15ac8e8808dfe091199c948fd [0,2,0,0,0,0|1,1,0]=4 713 B10R1.21 COCOCc1ccc[nH]1 8602fb3b96d0845f62a61e91c638d526 [0,2,0,0,0,0|1,1,0]=4 714 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [0,2,0,0,0,0|0,1,0]=3 715 B10R1.21 COCOCc1cccs1 8035084dd952e2619b91998ee1e10055 [0,2,0,0,0,0|0,2,0]=4 716 B10R1.21 COCOCc1ccno1 ff01a1e4f50dfacf1f2eb0f4413c32ac [0,2,0,0,0,0|1,1,0]=4 717 B10R1.21 COCOCc1cnco1 c11598e267d02c4916b65bfc27609cc0 [0,2,0,0,0,0|1,1,0]=4 718 B10R1.21 COCOCc1ncco1 17bdc640c34efccfe1e90b9530eec152 [0,2,0,0,0,0|1,1,0]=4 719 B10R1.21 CSCCNc1c[nH]cn1 137b35293b0dc85bb31d2e32ee40a86e [0,2,0,0,0,0|2,0,0]=4 720 B10R1.21 CSCCNc1cc[nH]n1 07979e79fed44fbdc495303e5ac54ca8 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [0,2,0,0,0,0|0,0,0]=2 722 B10R1.21 CSCCNc1cccs1 01d49ac6e99e11e56f4bd6fc081c9e5f [0,2,0,0,0,0|0,1,0]=3 723 B10R1.21 CSCCNc1ccno1 b1c7208426eeceedc2a03beed8da02a3 [0,2,0,0,0,0|1,0,0]=3 724 B10R1.21 CSCCNc1ccns1 c8894a803aa83f357f0ae7d950c26813 [0,2,0,0,0,0|1,1,0]=4 725 B10R1.21 CSCCNc1ccoc1 1d0567434f0a48bd98518f53a448361e [0,2,0,0,0,0|2,0,0]=4 726 B10R1.21 CSCCNc1ccon1 b42f16e3bc83348df538bbf682b3a77d [0,2,0,0,0,0|2,0,0]=4 727 B10R1.21 CSCCNc1ccsc1 f6c2dced6fbf754bcf5769e0ac76907b [0,2,0,0,0,0|2,0,0]=4 728 B10R1.21 CSCCNc1cncs1 a5563c1cef91afec5550c839def8c3ad [0,2,0,0,0,0|1,1,0]=4 729 B10R1.21 CSCCNc1cocn1 b3453c494b24e5be45fdb2fe35bec017 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.21 CSCCNc1cscn1 bd8d18512a72c7948e2c03063ef81eee [0,2,0,0,0,0|2,0,0]=4 731 B10R1.21 CSCCNc1ncc[nH]1 8e325de0c8c6761662fe5104b8c6cd40 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.21 CSCCNc1ncco1 8311037a857d62fbb40e2a92bfa36330 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.21 CSCCNc1nccs1 2daeff1a7635250a3e42d4dd01686512 [0,2,0,0,0,0|1,1,0]=4 734 B10R1.21 CSCCNc1nnco1 0a9345e95b83a57eed02b04d87a3e4bf [0,2,0,0,0,0|2,0,0]=4 735 B10R1.21 CSCCOc1c[nH]cn1 562e0b23ec0786e0fd18550873f0babf [0,2,0,0,0,0|2,0,0]=4 736 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [0,2,0,0,0,0|0,0,0]=2 737 B10R1.21 CSCCOc1cccs1 7150bd7e2c4ada0071b0350ef4644150 [0,2,0,0,0,0|0,1,0]=3 738 B10R1.21 CSCCOc1ccn[nH]1 c2da133be74361e0d3638b871bf6ce29 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.21 CSCCOc1ccsc1 24a4d86ca0141910d86531f8039bc371 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.21 CSCCOc1nccs1 cc7a7f6d66d1b43656817f4736f0ab30 [0,2,0,0,0,0|1,1,0]=4 741 B10R1.21 CSCCOn1cccn1 0876b2802a51221ce46857a22bb0a6c2 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.21 CSCNCc1cc[nH]c1 47ed8cd436f09b3013d91e46e1b150cc [0,2,0,0,0,0|2,0,0]=4 743 B10R1.21 CSCNCc1ccc[nH]1 fd07486fc4e4526a8ba8b2968c8e0c70 [0,2,0,0,0,0|1,0,0]=3 744 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [0,2,0,0,0,0|0,0,0]=2 745 B10R1.21 CSCNCc1cccs1 19102dc4b21db64523b39a937d0f0fcd [0,2,0,0,0,0|0,1,0]=3 746 B10R1.21 CSCNCc1ccn[nH]1 5b88461a3d4d1c10745abee310df6090 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.21 CSCNCc1ccno1 b145d7f77e69f26c5226ed1ab903da2e [0,2,0,0,0,0|1,0,0]=3 748 B10R1.21 CSCNCc1ccns1 834fc21d802e76b735084619c579030f [0,2,0,0,0,0|1,1,0]=4 749 B10R1.21 CSCNCc1ccoc1 9ad7cde6fc8060ab0463b8cc53c45142 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.21 CSCNCc1ccon1 1e01abf3644882325c1d315c695c74c8 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.21 CSCNCc1ccsc1 5227019be6bbd0bbbe6fefc9148901c2 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.21 CSCNCc1ccsn1 b51c5b3e96eaf45a94bec82116a84396 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.21 CSCNCc1cnco1 718d40295b9c5ba7e40f786d6ce87a7a [0,2,0,0,0,0|1,0,0]=3 754 B10R1.21 CSCNCc1cncs1 8db0ddb876f75551ba2bcf8c3f4eed2f [0,2,0,0,0,0|1,1,0]=4 755 B10R1.21 CSCNCc1cscn1 5259ffe6124310b92ee1aba846e77b47 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.21 CSCNCc1ncc[nH]1 40c91e5de4eeb94581fc1408816eaf68 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.21 CSCNCc1ncco1 4798ea10b7d60481da1dae57164d3c95 [0,2,0,0,0,0|1,0,0]=3 758 B10R1.21 CSCNCc1nccs1 61a6ed90706090a40a3f7ad28c43b182 [0,2,0,0,0,0|1,1,0]=4 759 B10R1.21 CSCOCc1cc[nH]c1 facfbd7c215ee7ff3015eef21b64acad [0,2,0,0,0,0|2,0,0]=4 760 B10R1.21 CSCOCc1ccc[nH]1 227018605e900994ca4503decc33cb19 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [0,2,0,0,0,0|0,0,0]=2 762 B10R1.21 CSCOCc1cccs1 3cff4a60d95ea1637015dd5821e001bd [0,2,0,0,0,0|0,1,0]=3 763 B10R1.21 CSCOCc1ccn[nH]1 d29415dcd9b3197c506ec5687a5ba70f [0,2,0,0,0,0|2,0,0]=4 764 B10R1.21 CSCOCc1ccno1 df28b76a5605dd2e2e9c9583c86775eb [0,2,0,0,0,0|1,0,0]=3 765 B10R1.21 CSCOCc1ccns1 5d1e224ec87ca015197e7ed128e16eb4 [0,2,0,0,0,0|1,1,0]=4 766 B10R1.21 CSCOCc1ccoc1 ba96e166b002fa1da107846027ed2a16 [0,2,0,0,0,0|2,0,0]=4 767 B10R1.21 CSCOCc1ccon1 1bfe899a804c0f8a80fe1a74afdd3ef5 [0,2,0,0,0,0|2,0,0]=4 768 B10R1.21 CSCOCc1ccsc1 be2d4b9bddf1d383f22e5bca6b2f8053 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.21 CSCOCc1ccsn1 42906ad1c89f99a1a9986ff6dd00de56 [0,2,0,0,0,0|2,0,0]=4 770 B10R1.21 CSCOCc1cnc[nH]1 809a1c89c56bb0dad68674efea542e3a [0,2,0,0,0,0|2,0,0]=4 771 B10R1.21 CSCOCc1cnco1 7db2db0ff683405c7e81c02a0619ae5b [0,2,0,0,0,0|1,0,0]=3 772 B10R1.21 CSCOCc1cocn1 11ac8b5f3bf326c20db7d22284c19ab1 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.21 CSCOCc1cscn1 28843dfb70f4f0c2d3d34584c2cb29e8 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.21 CSCOCc1ncc[nH]1 3ce72e4000606ffaa325548b15ce1797 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.21 CSCOCc1ncco1 ef5ebceba7bbc1aea597ff0fe4b673ab [0,2,0,0,0,0|1,0,0]=3 776 B10R1.21 CSCOCc1nccs1 f3cea1e7960229421db53c34b57f585e [0,2,0,0,0,0|1,1,0]=4 777 B10R1.21 CSCOCc1ncno1 6a3998f333703abb1e4495a057eb38ef [0,2,0,0,0,0|2,0,0]=4 778 B10R1.21 CSCOCc1nnco1 e3d34d6d88c35452f5d88a2ef7900128 [0,2,0,0,0,0|2,0,0]=4 779 B10R1.21 CSCOCn1cccn1 492cc4b5f71468aed4acee891d0632cc [0,2,0,0,0,0|2,0,0]=4 780 B10R1.21 Cl/C=C/COc1ccco1 7aa32b0722c0c4f5075fd40cec978e4a [0,2,0,0,0,0|1,0,1]=4 781 B10R1.21 Cl/C=C\COc1ccco1 2678d6483afee8d91d4111c377d90626 [0,2,0,0,0,0|1,0,1]=4 782 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [0,2,0,0,0,0|1,0,0]=3 783 B10R1.21 ClCCCNc1cccs1 fbce81ff25a9f7a9cf998778e28fb8cd [0,2,0,0,0,0|1,1,0]=4 784 B10R1.21 ClCCCNc1ncco1 4017e4f58a0e4152e4ac61177c419a8f [0,2,0,0,0,0|2,0,0]=4 785 B10R1.21 FCCCNc1cccs1 31ac9134e6d62b97401471d4ea45a70d [0,2,0,0,0,0|1,1,0]=4 786 B10R1.21 FCCCNc1ccno1 eb42f09138b283fba82dfacba41558ac [0,2,0,0,0,0|2,0,0]=4 787 B10R1.21 FCCCNc1ncco1 9e3bd4cf48e7c0fa13708268fb89b2cb [0,2,0,0,0,0|2,0,0]=4 788 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.21 FCCCOc1cccs1 8b580ea4e86b76b5b7438bc561b77a9d [0,2,0,0,0,0|1,1,0]=4 790 B10R1.21 FCCNCc1ccc[nH]1 fe349d4505b9ed5370e7b07649f649bf [0,2,0,0,0,0|2,0,0]=4 791 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.21 FCCNCc1cccs1 64161443947eeac79824d623f6441f8e [0,2,0,0,0,0|1,1,0]=4 793 B10R1.21 FCCNCc1ccno1 17329fb00249819fd456a69095ce0695 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.21 FCCNCc1cnco1 8294129d30f3b3ec3965d6755ee01576 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.21 FCCNCc1ncco1 a98d2e0ff29f8eaaf13d0f18d782e213 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.21 FCCOCc1ccc[nH]1 ae4bdf41a693ab4b17eedd9a1b3e71bd [0,2,0,0,0,0|1,1,0]=4 797 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [0,2,0,0,0,0|0,1,0]=3 798 B10R1.21 FCCOCc1cccs1 89e5f151596724dfb35cbde55e473498 [0,2,0,0,0,0|0,2,0]=4 799 B10R1.21 FCCOCc1ccno1 7aeca3bf619803091648308b17afb171 [0,2,0,0,0,0|1,1,0]=4 800 B10R1.21 FCCOCc1cnco1 f154df94fcccf40835580120af5630af [0,2,0,0,0,0|1,1,0]=4 801 B10R1.21 FCCOCc1ncco1 d6ca61277cdf8d6c1646c155d3d4d654 [0,2,0,0,0,0|1,1,0]=4 802 B10R1.21 FCNCCc1ccc[nH]1 7f781d01a7bc67bc21d7d7beac4484f1 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [0,2,0,0,0,0|1,0,0]=3 804 B10R1.21 FCNCCc1cccs1 88ba79d1c29808d8d8edddbef80e3f02 [0,2,0,0,0,0|1,1,0]=4 805 B10R1.21 FCOCCc1ccc[nH]1 c9539e478ac1399bce062501fc9ca424 [0,2,0,0,0,0|1,1,0]=4 806 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [0,2,0,0,0,0|0,1,0]=3 807 B10R1.21 FCOCCc1cccs1 3cabc60798d0a799d77c6a3a1fd267e4 [0,2,0,0,0,0|0,2,0]=4 808 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [0,2,0,0,0,0|1,0,0]=3 809 B10R1.21 ICCNCc1cccs1 0562d9fcb39a15007547660ec9667d57 [0,2,0,0,0,0|1,1,0]=4 810 B10R1.21 ICCNCc1ccno1 8cb7047f983588c8e29ac1de43c98d2e [0,2,0,0,0,0|2,0,0]=4 811 B10R1.21 ICCNCc1cnco1 46020b7bdbd6aa83a5b06b74af896d58 [0,2,0,0,0,0|2,0,0]=4 812 B10R1.21 ICCNCc1ncco1 9d3055b7896b60e9b7a5d925d5a560b6 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.21 N#CCCOc1ccco1 8ce5c34beea847e702c4d0fddf65978a [0,2,0,0,0,0|1,0,1]=4 814 B10R1.21 N#CCNCc1ccc[nH]1 b11eca2cd71cf72cd433eaa6a1df5ac9 [0,2,0,0,0,0|2,0,0]=4 815 B10R1.21 N#CCNCc1ccco1 fec584262b4d0a132944bf2c8f44ac1e [0,2,0,0,0,0|1,0,0]=3 816 B10R1.21 N#CCNCc1cccs1 f489aa16992650f6885d5e088950ac21 [0,2,0,0,0,0|1,1,0]=4 817 B10R1.21 N#CCNCc1ccno1 204f48dfbffb79fc483b0ce26826bfc3 [0,2,0,0,0,0|2,0,0]=4 818 B10R1.21 N#CCNCc1cnco1 44936550e181fb6d721b481feb7aae48 [0,2,0,0,0,0|2,0,0]=4 819 B10R1.21 N#CCNCc1ncco1 4aa7c562d6443f8f16f210490441202a [0,2,0,0,0,0|2,0,0]=4 820 B10R1.21 N#CCOCc1ccc[nH]1 e4c5e152b5b4a3d4297937b6d8294a70 [0,2,0,0,0,0|1,1,0]=4 821 B10R1.21 N#CCOCc1ccco1 dea65f4f4bafd731280ce3cf86ce28bd [0,2,0,0,0,0|0,1,0]=3 822 B10R1.21 N#CCOCc1cccs1 45a7b32e7dd1a8ec15d6f65d68cc88ff [0,2,0,0,0,0|0,2,0]=4 823 B10R1.21 N#CCOCc1ccno1 83f489a35361d3dc3a21b196dcb1046e [0,2,0,0,0,0|1,1,0]=4 824 B10R1.21 N#CCOCc1cnco1 b5071ac7c6514b271a043cec5db730ec [0,2,0,0,0,0|1,1,0]=4 825 B10R1.21 N#CCOCc1ncco1 51878952171b69ea4c9239972448fe53 [0,2,0,0,0,0|1,1,0]=4 826 B10R1.21 N#CSCOc1ccco1 9b7c1cdd7a8ef506f763c772dd654ad2 [0,2,0,0,0,0|0,0,1]=3 827 B10R1.21 NOCCNc1ccco1 982512c5e2d50fb1ae411cdaf4bf2093 [0,2,0,0,0,0|1,1,0]=4 828 B10R1.21 O=CCCOc1ccco1 29d0eddc230514e8e3bb8cacc9923f78 [0,2,0,0,0,0|1,0,1]=4 829 B10R1.21 O=CCNCc1ccc[nH]1 639a18cc5e97b07de5adf524490bad82 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.21 O=CCNCc1ccco1 0ab8a1ebd15283db8f5f3f17ac902f12 [0,2,0,0,0,0|1,0,0]=3 831 B10R1.21 O=CCNCc1cccs1 e94becbb6eb95ee69efd16aa47a4093c [0,2,0,0,0,0|1,1,0]=4 832 B10R1.21 O=CCNCc1ccno1 978aadcc6e01f87e8d8afb3f9e75e90e [0,2,0,0,0,0|2,0,0]=4 833 B10R1.21 O=CCNCc1cnco1 58a57fef6fc554af7226549b91166623 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.21 O=CCNCc1ncco1 ac49783ef77ca87adf8287f4ded3f0f6 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.21 O=CCOCc1ccc[nH]1 97ffcf32763fc9745266acd768ec8a83 [0,2,0,0,0,0|1,1,0]=4 836 B10R1.21 O=CCOCc1ccco1 22e3ccbc249d54fc00073a07f33cc6b4 [0,2,0,0,0,0|0,1,0]=3 837 B10R1.21 O=CCOCc1cccs1 f2a935b74a2608083c2a4099d7794c24 [0,2,0,0,0,0|0,2,0]=4 838 B10R1.21 O=CCOCc1ccno1 fe1747df203186af0b56d5e33facdf5e [0,2,0,0,0,0|1,1,0]=4 839 B10R1.21 O=CCOCc1cnco1 615a5c95d412eed9adf2d90d072cfb2e [0,2,0,0,0,0|1,1,0]=4 840 B10R1.21 O=CCOCc1ncco1 50c7923fde7502fbf1b355e2a11c9baa [0,2,0,0,0,0|1,1,0]=4 841 B10R1.21 O=CNCCc1ccco1 0b737060dc1ee55a5f0568ed4921621c [0,2,0,0,0,0|1,0,1]=4 842 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [0,2,0,0,0,0|1,0,0]=3 843 B10R1.21 OCCCNc1cccs1 55eef094d687f19b3a4b8d33bdca1f77 [0,2,0,0,0,0|1,1,0]=4 844 B10R1.21 OCCCNc1ccno1 635acccfbfa77aa72ef18cbdba2e4a73 [0,2,0,0,0,0|2,0,0]=4 845 B10R1.21 OCCCNc1ncco1 9df59432fe5a095679b4136a055b46e3 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.21 OCCNCc1ccc[nH]1 70b9ba075cfc1760e2d08e9e1fd27a85 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [0,2,0,0,0,0|1,0,0]=3 848 B10R1.21 OCCNCc1cccs1 20c6d4950b663f50a5c3f4e3a3001297 [0,2,0,0,0,0|1,1,0]=4 849 B10R1.21 OCCNCc1ccno1 b763edfde848a777eb1e851ff547f816 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.21 OCCNCc1cnco1 0dc7afd65143ae42236bcacef72c8123 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.21 OCCNCc1ncco1 e41d8f3bc0f8aecb72d6dd5103b1cd95 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.21 OCNCCc1ccc[nH]1 e1c3eae46650a92ca10d84d6e4068368 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [0,2,0,0,0,0|1,0,0]=3 854 B10R1.21 OCNCCc1cccs1 1b8ef25e4acd5b269ce70b8ca5f424ab [0,2,0,0,0,0|1,1,0]=4 855 B10R1.21 SCCCNc1cccs1 b2bd8dd51f559a41d4ab60443e74a227 [0,2,0,0,0,0|1,1,0]=4 856 B10R1.21 SCCCNc1ccno1 8520663ad0462ac5a3f95a82af76ece3 [0,2,0,0,0,0|2,0,0]=4 857 B10R1.21 SCCCNc1ncco1 03f06c346af623c1d1d37064182cc0c3 [0,2,0,0,0,0|2,0,0]=4 858 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.21 SCCCOc1cccs1 6f93465f61b75a0424c0871f86fddc3d [0,2,0,0,0,0|1,1,0]=4 860 B10R1.21 SCCNCc1ccc[nH]1 92f814f4f9ebad9c76a5b62d4428e6dc [0,2,0,0,0,0|2,0,0]=4 861 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [0,2,0,0,0,0|1,0,0]=3 862 B10R1.21 SCCNCc1cccs1 c14456af873f39673f7684598253f2ef [0,2,0,0,0,0|1,1,0]=4 863 B10R1.21 SCCNCc1ccno1 22d4c18ab4edac335b98e8d6ac575d44 [0,2,0,0,0,0|2,0,0]=4 864 B10R1.21 SCCNCc1cnco1 545e27b0908fad20e1e53dbd5b70a282 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.21 SCCNCc1ncco1 1258e7ca764084b38646a114b79b62d5 [0,2,0,0,0,0|2,0,0]=4 866 B10R1.21 SCCOCc1ccc[nH]1 4f192c4e8c3ebd7c553bf2c300880016 [0,2,0,0,0,0|1,1,0]=4 867 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [0,2,0,0,0,0|0,1,0]=3 868 B10R1.21 SCCOCc1cccs1 19c807d132dc7313aa96049bd57665ef [0,2,0,0,0,0|0,2,0]=4 869 B10R1.21 SCCOCc1ccno1 96419b38b39b0e9e46cacee0b0f59903 [0,2,0,0,0,0|1,1,0]=4 870 B10R1.21 SCCOCc1cnco1 ba11c463294bf9f59e25d6ef4c6b02ec [0,2,0,0,0,0|1,1,0]=4 871 B10R1.21 SCCOCc1ncco1 4a4b5a156c050c2a7f702bc2b03448f2 [0,2,0,0,0,0|1,1,0]=4 872 B10R1.27 C#CC(C)Oc1ccco1 92db3c4847ba22311f3475e8bb41af35 [0,2,0,0,0,0|1,0,1]=4 873 B10R1.27 C=CC(C)Nc1ccco1 154786abc601098fdacea27b3f0b1f80 [0,2,0,0,0,0|1,0,1]=4 874 B10R1.27 C=CC(C)Oc1ccco1 20f70fdbeab6dce7c4f0da853587e675 [0,2,0,0,0,0|1,0,1]=4 875 B10R1.27 CC(C=O)Oc1ccco1 135f5d833c8d42c9644f16e573ebe678 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.27 CCC(C)Nc1ccno1 62da887b146173e61776cb28fb7d4be3 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.27 CCC(C)Nc1ncco1 dd1a41bdc7d3616e95ccaa3968dfc430 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [0,2,0,0,0,0|1,0,0]=3 879 B10R1.27 CCC(C)Oc1cccs1 3541fcdf455861cca5d3a82e83b56fc2 [0,2,0,0,0,0|1,1,0]=4 880 B10R1.27 CCN(C)Cc1ccc[nH]1 e347aa0aab5f8b91131036b76761899f [0,2,0,0,0,0|2,0,0]=4 881 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [0,2,0,0,0,0|1,0,0]=3 882 B10R1.27 CCN(C)Cc1cccs1 5856368746510a7217772fc0f20fa2c2 [0,2,0,0,0,0|1,1,0]=4 883 B10R1.27 CCN(C)Cc1ccno1 2eaf5abe3f52570a6d35305ff6ab8c8c [0,2,0,0,0,0|2,0,0]=4 884 B10R1.27 CCN(C)Cc1ncco1 fbd451ad928ae1f8a9b5356432adeaee [0,2,0,0,0,0|2,0,0]=4 885 B10R1.27 CN(C=O)Cc1ccco1 717a7d8b3764ff0b3e1e4cf00cb53e3a [0,2,0,0,0,0|1,0,0]=3 886 B10R1.27 CN(C=O)Cc1cccs1 bb1b0a7ece4111e21fe8be693bcf2f97 [0,2,0,0,0,0|1,1,0]=4 887 B10R1.27 CN(C=O)Cc1ccno1 5309846741912f9b401b128276b0f0ea [0,2,0,0,0,0|2,0,0]=4 888 B10R1.27 CN(C=O)Cc1ncco1 a258d8c0a11315bda756d073815db626 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.27 CN(CF)Cc1ccc[nH]1 5acb32a101efb0b989c02eb95cb384e2 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.27 CN(CF)Cc1ccco1 a8a8f0beb1fa78278a0baf9423982cd2 [0,2,0,0,0,0|1,0,0]=3 891 B10R1.27 CN(CF)Cc1ccno1 6b36826c098ffbb54752251c2e46362d [0,2,0,0,0,0|2,0,0]=4 892 B10R1.27 CN(CF)Cc1ncco1 1f4cfd94c4573d62c0a91fe2a7a54ada [0,2,0,0,0,0|2,0,0]=4 893 B10R1.27 CN(CO)Cc1ccc[nH]1 c72aaf1507d6728f270abf1c4e66a3a9 [0,2,0,0,0,0|2,0,0]=4 894 B10R1.27 CN(CO)Cc1ccco1 e35a02611f613e4c724702badf0f544d [0,2,0,0,0,0|1,0,0]=3 895 B10R1.27 CN(CO)Cc1cccs1 a40c7fb2047d4e6a583417f484ade9f5 [0,2,0,0,0,0|1,1,0]=4 896 B10R1.27 CN(CO)Cc1ccno1 ac30ffa7eb72f9187d08072dca6a1460 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.27 CN(CO)Cc1ncco1 18a5a35534ae83cc3936672ca18cdcd7 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.27 C[C@H](C=O)Oc1ccco1 5bdca6620ba06d658d5ddbf85a11061b [0,2,0,0,0,0|2,0,0]=4 899 B10R1.29 CCCNc1oncc1C 9cdd8f4b3531301a9995572a5e54d3e0 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.29 CCCOc1cccn1C 77a3a251f2ad5d72ac49e0d4902500cc [0,2,0,0,0,0|2,0,0]=4 901 B10R1.29 CCNCc1cccn1C a3f78601a8618e748bd2602282aac7da [0,2,0,0,0,0|2,0,0]=4 902 B10R1.29 CCNCc1occc1C 9ef238004378a81a0f74d5a2034266a3 [0,2,0,0,0,0|1,0,0]=3 903 B10R1.29 CCNCc1sccc1Cl f49871b4cf667255cdeb6dcff922461b [0,2,0,0,0,0|1,1,0]=4 904 B10R1.29 CCNCc1sccc1F ab368184a4e0fe6fd349be18a1c40dcb [0,2,0,0,0,0|1,1,0]=4 905 B10R1.29 CCOCc1cccn1C 2d386258374afb1495708506babe71b0 [0,2,0,0,0,0|1,1,0]=4 906 B10R1.29 CCOCc1occc1Br 091ac4b360c592cc4f7db4a049ac0a99 [0,2,0,0,0,0|0,1,0]=3 907 B10R1.29 CCOCc1occc1C e7df444d3db70c6d7ce1aeb39d71e1ae [0,2,0,0,0,0|0,1,0]=3 908 B10R1.29 CCOCc1ocnc1C f1dadf16dcac5a44fda51d454c25e0ef [0,2,0,0,0,0|1,1,0]=4 909 B10R1.29 CCOCc1oncc1C 87c8fc5b2cb8cd05938ef66a5fbe1201 [0,2,0,0,0,0|1,1,0]=4 910 B10R1.29 CCOCc1sccc1C 928528f7c346be07c81d918139c5ea3e [0,2,0,0,0,0|0,2,0]=4 911 B10R1.29 CCOCc1sccc1Cl f1a6b399714310adf358afa7a2f0e9d6 [0,2,0,0,0,0|0,2,0]=4 912 B10R1.29 CCOCc1sccc1F c318c2baa23b667c6c94321ee13cd20c [0,2,0,0,0,0|0,2,0]=4 913 B10R1.29 COCNc1oncc1C 52c245b9c36e9700e738025a2ff03fe3 [0,2,0,0,0,0|1,1,0]=4 914 B10R1.29 COCOc1cccn1C ca535af67b7be7436148db7b2bbc60b4 [0,2,0,0,0,0|1,1,0]=4 915 B10R1.29 CSCNc1[nH]ncc1F e805c6ccfec671d1c79992b12cac2f7e [0,2,0,0,0,0|2,0,0]=4 916 B10R1.29 CSCNc1ccnn1C 5739d6cf601206dca167d9aec122adbb [0,2,0,0,0,0|2,0,0]=4 917 B10R1.29 CSCNc1ccsc1C 9fa53d4f27969fa38b58e7961a53a56f [0,2,0,0,0,0|2,0,0]=4 918 B10R1.29 CSCNc1cncn1C 58e93d9a0e63939e4174a532ff77bfc4 [0,2,0,0,0,0|2,0,0]=4 919 B10R1.29 CSCNc1cscc1C 2a6059cd4d39a8c3979f70d3f0a96da2 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.29 CSCNc1n[nH]cc1Br a1cac814df78c9bcfae8b8cee0231882 [0,2,0,0,0,0|2,0,0]=4 921 B10R1.29 CSCNc1n[nH]cc1C 0c55661e8642b4a87934f9fa8f616bbe [0,2,0,0,0,0|2,0,0]=4 922 B10R1.29 CSCNc1n[nH]cc1Cl e8a0723aafac90da46f32cdd9de18019 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.29 CSCNc1n[nH]cc1I 40b5854e906925cbea6979c23ef24585 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.29 CSCNc1nccn1C 6ba18b93156217e2e0fe89f1b751ebdd [0,2,0,0,0,0|2,0,0]=4 925 B10R1.29 CSCNc1nocc1C 3f2e34f48066fa5d4b67d704782dbb30 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.29 CSCNc1nocc1Cl caeee79137da8ba41e443fd29eedad12 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.29 CSCNc1oncc1C 67278c0f25a75f274b0068b2cbcac288 [0,2,0,0,0,0|1,0,0]=3 928 B10R1.29 CSCNc1scnc1C d2e7d398810d36055d38c863cb5d03a8 [0,2,0,0,0,0|1,1,0]=4 929 B10R1.29 CSCOc1cccn1C 99840be934ace8696983ae7ab03b3250 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.29 CSCOc1ccnn1C 51bd97fb30a7b3d6d52e6f74729d7027 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.29 CSCOc1n[nH]cc1C 014519b4f47871f23076590d600a0091 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.29 CSCOc1nocc1Br 132dd095af114626cb0250d7e9b91dad [0,2,0,0,0,0|2,0,0]=4 933 B10R1.29 Cc1ccoc1CNC=O 4166e7e09b9e12df33d142c718b4889d [0,2,0,0,0,0|1,0,1]=4 934 B10R1.29 Cc1ccoc1CNCF 7b90ffac2b3622c1b5bd007449c27acf [0,2,0,0,0,0|1,0,0]=3 935 B10R1.29 Cc1ccoc1CNCO 3b1ec24b65f1554651ff21c7bec117dc [0,2,0,0,0,0|1,0,0]=3 936 B10R1.29 Cc1ccoc1COCF 1d5154e89e1774674d960ff6e2f2ac51 [0,2,0,0,0,0|0,1,0]=3 937 B10R1.29 Cc1ccsc1COCF 8bd384f9c0495488683fd6c5d33cbce1 [0,2,0,0,0,0|0,2,0]=4 938 B10R1.29 Cc1cnoc1COCF e907356ef98f9e4c9b6af0ad5e2aa1e6 [0,2,0,0,0,0|1,1,0]=4 939 B10R1.29 Cc1ncoc1COCF bd05682725a15597384625227d594f5f [0,2,0,0,0,0|1,1,0]=4 940 B10R1.29 Cn1cccc1CNCF b2066ecd729eafe29830afe41bca29fd [0,2,0,0,0,0|2,0,0]=4 941 B10R1.29 Cn1cccc1CNCO 8797ef092b0a11a7c0adc121ee7b19c7 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.29 Cn1cccc1COCF 18484ba8e4dde117e5ce828572d7117a [0,2,0,0,0,0|1,1,0]=4 943 B10R1.29 FCNCc1sccc1Cl a830839c49bdf27be3956dc3b3a7b591 [0,2,0,0,0,0|1,1,0]=4 944 B10R1.29 FCNCc1sccc1F 31669fe5ce8cb4bed183fee3f8ece114 [0,2,0,0,0,0|1,1,0]=4 945 B10R1.29 FCOCc1occc1Br 93c65175419fdd74eebea6c5507f73d0 [0,2,0,0,0,0|0,1,0]=3 946 B10R1.29 FCOCc1sccc1Cl 282ccab1e970ff62220453ce70175452 [0,2,0,0,0,0|0,2,0]=4 947 B10R1.29 FCOCc1sccc1F de9a0aa5a49c03e683eeedff3c47d02e [0,2,0,0,0,0|0,2,0]=4 948 B10R1.29 OCNCc1sccc1Br 3c3ebd02cdf6fedc08a880a1d6c85417 [0,2,0,0,0,0|1,1,0]=4 949 B10R1.29 OCNCc1sccc1Cl 7be4dfc982a65581b6d36aa70ab20278 [0,2,0,0,0,0|1,1,0]=4 950 B10R1.29 OCNCc1sccc1F bf7c7f8ff7b45f0365a70f93453847d6 [0,2,0,0,0,0|1,1,0]=4 951 B10R1.66 C=C(Br)CNc1ccco1 46cb655391dd7ee0099e3f68361df23b [0,2,0,0,0,0|1,0,1]=4 952 B10R1.66 C=C(Br)COc1ccco1 d0b6cd16dd8f8a048de010b54cb1126a [0,2,0,0,0,0|1,0,1]=4 953 B10R1.66 C=C(C)CNc1cccs1 d16c7a810bce5bfe2c251346fc272f1b [0,2,0,0,0,0|1,1,0]=4 954 B10R1.66 C=C(C)CNc1ccno1 e81af668258a6501f050fe1cde60bb8a [0,2,0,0,0,0|2,0,0]=4 955 B10R1.66 C=C(C)CNc1ncco1 0ca709ff7fbabcdc574e2630eee794e2 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.66 C=C(C)COc1ccco1 b3f905ff0261eb167bbdc638ad76153d [0,2,0,0,0,0|1,0,0]=3 957 B10R1.66 C=C(C)COc1cccs1 ba490c6192f94efd35b9a3807f014ce8 [0,2,0,0,0,0|1,1,0]=4 958 B10R1.66 C=C(Cl)COc1ccco1 aba02f3358eca90651a93a5b886bb155 [0,2,0,0,0,0|1,0,1]=4 959 B10R1.66 C=C(F)COc1ccco1 a2f9f6f7135fa61d0ed061da3bb59ad7 [0,2,0,0,0,0|1,0,1]=4 960 B10R1.66 CC(=O)CNc1ccco1 a59c8e4ff03257d947231d2e71f4d6c9 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.66 CC(=O)CNc1cccs1 cd83157d86433e62c17b868e5fb1470c [0,2,0,0,0,0|1,1,0]=4 962 B10R1.66 CC(=O)NCc1ccco1 88956646aad494b49b38617dc9c4b71b [0,2,0,0,0,0|1,0,0]=3 963 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [0,2,0,0,0,0|1,1,0]=4 964 B10R1.66 CC(=O)NCc1ccno1 23171c461f7c76fb2a080276054f467a [0,2,0,0,0,0|2,0,0]=4 965 B10R1.66 CC(=O)NCc1cnco1 2f9cdc814f8776fe414302b1109682db [0,2,0,0,0,0|2,0,0]=4 966 B10R1.66 CC(=O)NCc1ncco1 6519ae7ebb18199243fcd7f03af8a730 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.66 CC(C)CNc1cccs1 67dcb3c9cca955e96d2162e1f77ad9d3 [0,2,0,0,0,0|1,1,0]=4 968 B10R1.66 CC(C)CNc1ccno1 d420346ba8917b35352d6152b17bb83c [0,2,0,0,0,0|2,0,0]=4 969 B10R1.66 CC(C)CNc1ncco1 8259e209777df60cb7a7ca8861c36e93 [0,2,0,0,0,0|2,0,0]=4 970 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.66 CC(C)COc1cccs1 c3a2875732f90e39bc97fc0388c7ee98 [0,2,0,0,0,0|1,1,0]=4 972 B10R1.66 CC(C)NCc1ccc[nH]1 c8f8c41b508c6a9e408dd2699920d8e8 [0,2,0,0,0,0|2,0,0]=4 973 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.66 CC(C)NCc1cccs1 542111b118739a23c6a7d49f5267f947 [0,2,0,0,0,0|1,1,0]=4 975 B10R1.66 CC(C)NCc1ccno1 8048c2b4942dbf51099ed0a206f8f6e8 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.66 CC(C)NCc1cnco1 efb9476d66687f153835d5c1b16a9ef7 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.66 CC(C)NCc1ncco1 05025edf840bc375a3c3e26d0a96ccdf [0,2,0,0,0,0|2,0,0]=4 978 B10R1.66 CC(C)OCc1ccc[nH]1 4dddb07a03dc24f89786ddb418b6d01e [0,2,0,0,0,0|1,1,0]=4 979 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [0,2,0,0,0,0|0,1,0]=3 980 B10R1.66 CC(C)OCc1cccs1 3e503778417dd68d76dc700a03f16b0b [0,2,0,0,0,0|0,2,0]=4 981 B10R1.66 CC(C)OCc1ccno1 7aa10af430b7d91c055f89d0f51bdadf [0,2,0,0,0,0|1,1,0]=4 982 B10R1.66 CC(C)OCc1cnco1 781339a65a14a684e1aece08a96ac865 [0,2,0,0,0,0|1,1,0]=4 983 B10R1.66 CC(C)OCc1ncco1 1190308edda12fa27f2bcbfd35f45044 [0,2,0,0,0,0|1,1,0]=4 984 B10R1.66 CC(O)CNc1cccs1 60380a00e499cd7119533a566202f141 [0,2,0,0,0,0|1,1,0]=4 985 B10R1.66 CC(O)CNc1ccno1 fc2cce262388ca7c62de70655fa7a177 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.66 CC(O)CNc1ncco1 af71533ef2de2cec8c8cad0a710fca7a [0,2,0,0,0,0|2,0,0]=4 987 B10R1.66 CN(C)CNc1cccs1 1db9893a6be0ea1f86189cedbd2651f7 [0,2,0,0,0,0|1,1,0]=4 988 B10R1.66 CN(C)CNc1ccno1 8de3b1c01c31b72d8995f566b9afc633 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.66 CN(C)CNc1ncco1 15d673d5888ecc222c6a630b5b5418eb [0,2,0,0,0,0|2,0,0]=4 990 B10R1.66 CN(C)COc1ccco1 c10f1087d88a829336b344ddc05de043 [0,2,0,0,0,0|1,0,0]=3 991 B10R1.66 CN(C)COc1cccs1 472a5768d76a502b4b28d9b6da597a58 [0,2,0,0,0,0|1,1,0]=4 992 B10R1.66 C[C@@H](O)CNc1ccno1 f3d1a2517810a4c57fee3d52d5b1f63a [0,2,0,0,0,0|2,0,0]=4 993 B10R1.66 C[C@H](O)CNc1cccs1 50770c2e03ac9b3dc06cb895694b0084 [0,2,0,0,0,0|1,1,0]=4 994 B10R1.66 C[C@H](O)CNc1ccno1 b567b272d6456f38b0c757b753177355 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.66 C[C@H](O)CNc1ncco1 569a0fbf6aed9f8a7593b5734237721d [0,2,0,0,0,0|2,0,0]=4 996 B10R1.66 FC(F)COc1ccco1 6214124183545eb6ba23a3439c8fd392 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.66 NC(=O)CNc1ccco1 382c54ff125dc94771cf8fb1720983d9 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.66 NC(=O)COc1ccco1 1a2e54051ed18393ef61d43ef5486554 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.66 O=C(O)COc1ccco1 6b958b8d422d5fb1092e70422390022e [0,2,0,0,0,0|2,0,0]=4 1000 B10R1.66 O=[N+]([O-])COc1ccco1 539b21af5fa1c2f96f80cb505519c8fc [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.5 CCNc1occc1C#N 959881e6c87d835ce454aa1f3eff4fa4 [0,2,0,0,0,0|2,0,0]=4 1002 B10R2.193 c1coc(c1)OC2CC2 8985027cbca38de40f7977ffc4fa9731 [0,1,0,1,0,0|1,0,0]=3 1003 B10R2.193 c1coc(n1)NC2CC2 3ac008138901a81cc9d1e786fff3438e [0,1,0,1,0,0|2,0,0]=4