0 B13R2.662 OCN1CCc2c1ccc(c2)Cl 46d3ab2df7e4812e641e161e46cd49f4 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.24 C#CCNc1cccc(c1)Cl e7263d15270025454d133c91c3cd5f0f [0,0,1,0,0,0|2,0,1]=4 2 B11R1.24 C=CCNc1cc(ccn1)Cl e9c72c539b313af29fb3604555b0111d [0,0,1,0,0,0|3,0,0]=4 3 B11R1.24 C=CCNc1cccc(c1)Br e88457b009a20ef59a7a587614381b8a [0,0,1,0,0,0|2,1,0]=4 4 B11R1.24 C=CCNc1cccc(c1)C 173e403cf0963a6de904610bdd677509 [0,0,1,0,0,0|3,0,0]=4 5 B11R1.24 C=CCNc1cccc(c1)Cl 478faf611e1d401d4739789e412edbef [0,0,1,0,0,0|2,0,0]=3 6 B11R1.24 C=CCNc1cccc(c1)F 09b1dd8b29d882dc694ee0480dbe08d4 [0,0,1,0,0,0|2,1,0]=4 7 B11R1.24 C=CCNc1cccc(c1)I f9c2d517897ff770f0829daa3bac406b [0,0,1,0,0,0|2,1,0]=4 8 B11R1.24 C=CCNc1cccc(c1)S 0c5293e57a4ff3f1cf6663eb1f579c54 [0,0,1,0,0,0|3,0,0]=4 9 B11R1.24 C=CCNc1cccc(n1)Cl aca98efd74a4d59703f9b52dbef257ec [0,0,1,0,0,0|3,0,0]=4 10 B11R1.24 C=CCNc1ccnc(c1)Cl 7c13c1d99be9eb52c59da687ce7b50f9 [0,0,1,0,0,0|3,0,0]=4 11 B11R1.24 C=CCNc1cncc(c1)Cl 2b8ce96a6dee2f8066b8e5e5b0a06b9c [0,0,1,0,0,0|3,0,0]=4 12 B11R1.24 C=CCOc1cccc(c1)Cl 20a8ac3721d688aec32b1c0cd20791a2 [0,0,1,0,0,0|3,0,0]=4 13 B11R1.24 CCCNc1cccc(c1)Cl 5f3ddf9c366c2329c81257ae31beedbd [0,0,1,0,0,0|2,0,1]=4 14 B11R1.24 COCNc1cccc(c1)Cl 5fec63d5af13dc5d09181347c67375b7 [0,0,1,0,0,0|3,0,0]=4 15 B11R1.24 CSCNc1cccc(c1)Cl f4c5ef06861d0e83dfcececc5dd6c4c5 [0,0,1,0,0,0|3,0,0]=4 16 B11R1.24 Cc1cccc(c1)NCC=O 02b27afd26a0d485177136f96a1c2349 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.24 Cc1cccc(c1)NCCO 788520a7b5122ba23efd60ec7af11b62 [0,0,1,0,0,0|2,0,1]=4 18 B11R1.24 FCCNc1cccc(c1)Cl 9349b62cb412641ee884eb579a3f9bdb [0,0,1,0,0,0|2,0,1]=4 19 B11R1.24 N#CCNc1cccc(c1)Cl 7d80c428edb313059949a7052d2869e3 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.24 O=CCNc1cc(ccn1)Cl 77689f8070ca4ded09435e75a30da9fd [0,0,1,0,0,0|2,0,1]=4 21 B11R1.24 O=CCNc1cccc(c1)Br 58f3b4009c79f8260654c2f82a7f1a3d [0,0,1,0,0,0|1,1,1]=4 22 B11R1.24 O=CCNc1cccc(c1)Cl 145c9e2238e5a2eb6727bb5fb70c46c7 [0,0,1,0,0,0|1,0,1]=3 23 B11R1.24 O=CCNc1cccc(c1)F 0b3b77aa23b4986f0408df0f726301d4 [0,0,1,0,0,0|1,1,1]=4 24 B11R1.24 O=CCNc1cccc(c1)I 60c53eb71c9911d5ebb2128f0fd07f21 [0,0,1,0,0,0|1,1,1]=4 25 B11R1.24 O=CCNc1cccc(c1)S d40d643635af2cd3f7207d81f532ddbc [0,0,1,0,0,0|2,0,1]=4 26 B11R1.24 O=CCNc1cccc(n1)Cl 08e2cb671fbdb5ff802b08f195ba74da [0,0,1,0,0,0|2,0,1]=4 27 B11R1.24 O=CCNc1ccnc(c1)Cl e180cb8a49f4cdfab442f01f863ea17f [0,0,1,0,0,0|2,0,1]=4 28 B11R1.24 O=CCNc1cncc(c1)Cl c1728527de73ba78f323f368e0027b26 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.24 O=CCOc1cccc(c1)Cl 09a2ec3cff5ec5fde89682fb08cc0f7b [0,0,1,0,0,0|2,0,1]=4 30 B11R1.24 O=CNCc1cccc(c1)Cl 65b698943b3a92d1bd4a0e6dffd59e66 [0,0,1,0,0,0|1,0,2]=4 31 B11R1.24 OCCNc1cc(ccn1)Cl 7c04defb8496760f37c26173d358f1c7 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.24 OCCNc1cccc(c1)Br 72567362870bfac93c93e7b10c66dbef [0,0,1,0,0,0|1,1,1]=4 33 B11R1.24 OCCNc1cccc(c1)Cl e17e7e92e4c4d52ba070bc2481182aec [0,0,1,0,0,0|1,0,1]=3 34 B11R1.24 OCCNc1cccc(c1)F efdd551ee0f00745ebb911089af2cb0e [0,0,1,0,0,0|1,1,1]=4 35 B11R1.24 OCCNc1cccc(c1)I f3c298b6e86d76fb00282800b71da201 [0,0,1,0,0,0|1,1,1]=4 36 B11R1.24 OCCNc1cccc(c1)S bc3a43ad2a55514906329a47347a3147 [0,0,1,0,0,0|2,0,1]=4 37 B11R1.24 OCCNc1cccc(n1)Cl 0dd354cac868e8a2f5e6b90d2720b521 [0,0,1,0,0,0|2,0,1]=4 38 B11R1.24 OCCNc1ccnc(c1)Cl 3ffc831c5d727a7d566cfb2f2129d6e9 [0,0,1,0,0,0|2,0,1]=4 39 B11R1.24 OCCNc1cncc(c1)Cl a2b4c7a5a212bf04c94411f62e5ad358 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.24 OCNCc1cccc(c1)Cl 713c7b0184423731a15a73fa223201b6 [0,0,1,0,0,0|1,0,2]=4 41 B11R1.24 SCCNc1cccc(c1)Cl 2f57001a83ec8d5ce3c44dce9353a13f [0,0,1,0,0,0|1,1,1]=4 42 B11R1.90 C=C(Cl)CNc1c[nH]nc1Br 19c26ebf9b919a4f9a890025a0db22da [0,0,1,0,0,0|2,0,1]=4 43 B11R1.90 C=C(Cl)CNc1c[nH]nc1C 33f8be4361ae67537edcc86750df3ee0 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.90 C=C(Cl)CNc1c[nH]nc1Cl 69bc24cf71ad4eb69844484f4c2982fc [0,0,1,0,0,0|2,0,1]=4 45 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,0,1,0,0,0|1,0,1]=4 46 B10R1.10 Cc1cccc(c1)NC=O 05038cbe055575047c41b1e8757f2545 [1,0,1,0,0,0|1,0,1]=4 47 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [1,0,1,0,0,0|1,0,1]=4 48 B10R1.10 FCNc1cccc(c1)Cl b872f9905f1be884c21a425e188a3799 [1,0,1,0,0,0|1,0,1]=4 49 B10R1.10 O=CNc1cc(ccn1)Cl 6b6c85f18ba607a083fcc35e13622e19 [1,0,1,0,0,0|1,0,1]=4 50 B10R1.10 O=CNc1cccc(c1)Br 5eb9518e9956f7a348d0a646a73a1e32 [1,0,1,0,0,0|0,1,1]=4 51 B10R1.10 O=CNc1cccc(c1)Cl 7fe4ac55882b67bb145106257f99a127 [1,0,1,0,0,0|0,0,1]=3 52 B10R1.10 O=CNc1cccc(c1)F 078b99782fd4caa299ab4bc2089ca8ec [1,0,1,0,0,0|0,1,1]=4 53 B10R1.10 O=CNc1cccc(c1)I 0ca8a7d6d3dcba43e51377ba593dcc41 [1,0,1,0,0,0|0,1,1]=4 54 B10R1.10 O=CNc1cccc(c1)O b7034720bcdfb6e36ba15c0a5abf2a37 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.10 O=CNc1cccc(c1)S 605dde1db165209334662244eb37bfa5 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.10 O=CNc1cccc(n1)Cl ac0e9eb68a34eabe5b0113dfee26506e [1,0,1,0,0,0|1,0,1]=4 57 B10R1.10 O=CNc1ccnc(c1)Cl d8d3b27a1d645fa8f7ac255717dc5e9d [1,0,1,0,0,0|1,0,1]=4 58 B10R1.10 O=CNc1cncc(c1)Cl 6d418a989dcc249129d9ecf8231bde00 [1,0,1,0,0,0|1,0,1]=4 59 B10R1.10 OCNc1cc(ccn1)Cl 2b06f0190859c78504d004a8e6534b2d [1,0,1,0,0,0|1,0,1]=4 60 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [1,0,1,0,0,0|0,1,1]=4 61 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [1,0,1,0,0,0|0,0,1]=3 62 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [1,0,1,0,0,0|0,1,1]=4 63 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [1,0,1,0,0,0|0,1,1]=4 64 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [1,0,1,0,0,0|1,0,1]=4 65 B10R1.10 OCNc1cccc(n1)Cl 9e37454f7ddda321db943a2776f00577 [1,0,1,0,0,0|1,0,1]=4 66 B10R1.10 OCNc1ccnc(c1)Cl 035bab7c33e3139ab7e61c532e36a8da [1,0,1,0,0,0|1,0,1]=4 67 B10R1.10 OCNc1cncc(c1)Cl 258ed832222e8466a5881e98d79e789b [1,0,1,0,0,0|1,0,1]=4 68 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,0,1,0,0,0|1,0,1]=4 71 B10R1.66 C=C(Cl)CNc1cn[nH]c1 0ce9061f75b17f25f921bd078b9c02c1 [1,0,1,0,0,0|1,0,1]=4 72 B10R1.66 C=C(Cl)COc1cn[nH]c1 22ff4441f9262827392e819d5e9ab9cf [1,0,1,0,0,0|1,0,1]=4 73 B12R1.17 C=CCN(C)c1cccc(c1)Cl 9cfc093e92494ec1a0d3e5ab22edf8be [0,1,1,0,0,0|2,0,0]=4 74 B12R1.17 CN(CC=O)c1cccc(c1)Cl 80cca0a463dc60d932fa8da323377a65 [0,1,1,0,0,0|1,0,1]=4 75 B12R1.17 CN(CCO)c1cccc(c1)Cl 88465db1fd69d56d6deff614fef03275 [0,1,1,0,0,0|1,0,1]=4 76 B12R1.25 C=CCNc1cccc(c1Br)Cl eb7cb496c60341660d22b69b7bde04bc [0,1,1,0,0,0|2,0,0]=4 77 B12R1.25 C=CCNc1cccc(c1C)Cl fad40c56a1caccaa4145dd37f5846cdf [0,1,1,0,0,0|2,0,0]=4 78 B12R1.25 C=CCNc1cccc(c1Cl)Cl 327c75f7b8b01bcb309b96c3c7d39ffe [0,1,1,0,0,0|2,0,0]=4 79 B12R1.25 C=CCNc1cccc(c1F)Cl a5f92db41c3cfeb80708ff231544e65f [0,1,1,0,0,0|2,0,0]=4 80 B12R1.25 C=CCNc1cccc(c1I)Cl 352abcd0b3118bd57d3a1884ff76380b [0,1,1,0,0,0|2,0,0]=4 81 B12R1.25 Cc1c(cccc1NCC=O)Cl 243fc3bcae62b6b34064a89a7eae02fb [0,1,1,0,0,0|1,0,1]=4 82 B12R1.25 Cc1c(cccc1NCCO)Cl 23d07f4704f331f04e60155d167433d6 [0,1,1,0,0,0|1,0,1]=4 83 B12R1.25 O=CCNc1cccc(c1Br)Cl 957945228c469e193ef33294703c5efd [0,1,1,0,0,0|1,0,1]=4 84 B12R1.25 O=CCNc1cccc(c1Cl)Cl 074375683b0eda0bf291ec0340f394ca [0,1,1,0,0,0|1,0,1]=4 85 B12R1.25 O=CCNc1cccc(c1F)Cl 48be7222262d162c84f523df5518ae40 [0,1,1,0,0,0|1,0,1]=4 86 B12R1.25 O=CCNc1cccc(c1I)Cl d5741e0ddc6a1e6834acaa99403dd7f4 [0,1,1,0,0,0|1,0,1]=4 87 B12R1.25 OCCNc1cccc(c1Br)Cl a7a66a9d8f15ea1358276633a1b38c45 [0,1,1,0,0,0|1,0,1]=4 88 B12R1.25 OCCNc1cccc(c1Cl)Cl 3bdfea4f2fb1274dd99c83a7b5268ed8 [0,1,1,0,0,0|1,0,1]=4 89 B12R1.25 OCCNc1cccc(c1F)Cl 42b5202f559ca5c66e245037c4b91548 [0,1,1,0,0,0|1,0,1]=4 90 B12R1.25 OCCNc1cccc(c1I)Cl ea8a68bfa27322b7e9c34d6f6581b7b7 [0,1,1,0,0,0|1,0,1]=4 91 B12R1.28 C/C=C/CNc1cccc(c1)Cl a321a64687bc7e589120f424933cd2d2 [0,1,1,0,0,0|2,0,0]=4 92 B12R1.28 C/C=C\CNc1cccc(c1)Cl 04625aaaf5accf11670fca06cbf179cd [0,1,1,0,0,0|2,0,0]=4 93 B12R1.28 C=CCCNc1cccc(c1)Cl 19162552426aeacd3712850fde3210a7 [0,1,1,0,0,0|2,0,0]=4 94 B12R1.28 C=CCNCc1cccc(c1)Cl 66e118b9471edb950a57f6cd5a000bd7 [0,1,1,0,0,0|2,0,0]=4 95 B12R1.28 COCCNc1cccc(c1)Cl 6598ecbda65ef257fda9088d5594ab03 [0,1,1,0,0,0|1,0,1]=4 96 B12R1.28 Cc1cccc(c1)NC/C=C\O c7010db5847beca6cb09d1b8488a6efc [0,1,1,0,0,0|2,0,0]=4 97 B12R1.28 Cl/C=C/CNc1cccc(c1)Cl 1a851f3c712b70f45da2ebff7d17bd31 [0,1,1,0,0,0|2,0,0]=4 98 B12R1.28 Cl/C=C\CNc1cccc(c1)Cl 30144b60555892b2229e10b305d4673e [0,1,1,0,0,0|2,0,0]=4 99 B12R1.28 O/C=C\CNc1cc(ccn1)Cl 1ee464fc1d728c207d1c3b88296a3b9e [0,1,1,0,0,0|2,0,0]=4 100 B12R1.28 O/C=C\CNc1cccc(c1)Br 3ee34417ec78dab704e916487074f834 [0,1,1,0,0,0|1,1,0]=4 101 B12R1.28 O/C=C\CNc1cccc(c1)Cl f488a48064ae669b722bbf26d9c2b93b [0,1,1,0,0,0|1,0,0]=3 102 B12R1.28 O/C=C\CNc1cccc(c1)F 3257523b92b09d0fab6fa93a3930762e [0,1,1,0,0,0|1,1,0]=4 103 B12R1.28 O/C=C\CNc1cccc(c1)I 1401d28c4b63360689e65d1b62f29df0 [0,1,1,0,0,0|1,1,0]=4 104 B12R1.28 O/C=C\CNc1cccc(c1)S 769b6189eaf129133a621dee08420c31 [0,1,1,0,0,0|2,0,0]=4 105 B12R1.28 O/C=C\CNc1cccc(n1)Cl 0131256c9aa727ffd53347cb5f9e5895 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.28 O/C=C\CNc1ccnc(c1)Cl 6fbd350627d7c590c5e24cb047419612 [0,1,1,0,0,0|2,0,0]=4 107 B12R1.28 O/C=C\CNc1cncc(c1)Cl f952182ea5f5914110eeeb47abcc5b3e [0,1,1,0,0,0|2,0,0]=4 108 B12R1.28 O=CCCNc1cccc(c1)Cl 69c07bf3341c3fc872e468241b5742b7 [0,1,1,0,0,0|1,0,1]=4 109 B12R1.28 O=CCNCc1cccc(c1)Cl 9636f0e9280a051f18b5b13d4ddc2059 [0,1,1,0,0,0|1,0,1]=4 110 B12R1.28 OCCCNc1cccc(c1)Cl 88f10fbe375978effa6eebb8a9188619 [0,1,1,0,0,0|1,0,1]=4 111 B12R1.28 OCCNCc1cccc(c1)Cl 12da828289841255f4989b01d4fb368f [0,1,1,0,0,0|1,0,1]=4 112 B12R1.50 C=CC(=O)Nc1cccc(c1)Cl 40b33d2eaa3c4b0314b4d7740643bcdb [0,1,1,0,0,0|2,0,0]=4 113 B12R1.50 C=CC(C)Nc1cccc(c1)Cl 92e556d6a18c6783b805767b4898a78d [0,1,1,0,0,0|2,0,0]=4 114 B12R1.50 CC(C=O)Nc1cccc(c1)Cl af9d201da575efbff8bc9d5c1ede0d73 [0,1,1,0,0,0|1,0,1]=4 115 B12R1.50 CC(CO)Nc1cccc(c1)Cl bd22220cbe1e26dbecd73c43bc0875f8 [0,1,1,0,0,0|1,0,1]=4 116 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Cl b6aa20cbf8f24853667a022c40a8057e [0,1,1,0,0,0|1,0,1]=4 117 B12R1.50 C[C@H](C=O)Nc1cccc(c1)Cl 032dff0b15fdb585d7922a79bffbc562 [0,1,1,0,0,0|1,0,1]=4 118 B12R1.50 C[C@H](CO)Nc1cccc(c1)Cl d80340fe9b92189a6899bc5d360147f0 [0,1,1,0,0,0|1,0,1]=4 119 B12R1.50 O=CC(=O)Nc1cccc(c1)Cl 63429975e665bf674ac66611a432dda3 [0,1,1,0,0,0|1,0,1]=4 120 B12R1.100 C=CCNc1cc(cc(c1)Br)Cl b3aaaa1d9341fff6524e62c8336367bc [0,1,1,0,0,0|2,0,0]=4 121 B12R1.100 C=CCNc1cc(cc(c1)Cl)C 170f1b997915c37542a832b595b0c977 [0,1,1,0,0,0|2,0,0]=4 122 B12R1.100 C=CCNc1cc(cc(c1)Cl)Cl f8561c94746c1bd45e217d21b16e97bc [0,1,1,0,0,0|2,0,0]=4 123 B12R1.100 C=CCNc1cc(cc(c1)Cl)F afbf19cfdb4fdad8d75e15d408cdc432 [0,1,1,0,0,0|2,0,0]=4 124 B12R1.100 C=CCNc1cc(cc(c1)I)Cl bd8df5f819e1b04f5f5788e302d30e70 [0,1,1,0,0,0|2,0,0]=4 125 B12R1.100 Cc1cc(cc(c1)NCC=O)Cl 214f794f0f7d04899b7707b7d821816d [0,1,1,0,0,0|1,0,1]=4 126 B12R1.100 Cc1cc(cc(c1)NCCO)Cl 9270e7544a126a15cd48da2bc6e906f7 [0,1,1,0,0,0|1,0,1]=4 127 B12R1.100 O=CCNc1cc(cc(c1)Br)Cl 4cba8dc6ba31d664ea5c4bcd404a31b2 [0,1,1,0,0,0|1,0,1]=4 128 B12R1.100 O=CCNc1cc(cc(c1)Cl)Cl fcc5fe68deb30134f6ce3d5949e4fce0 [0,1,1,0,0,0|1,0,1]=4 129 B12R1.100 O=CCNc1cc(cc(c1)Cl)F f53bc88b18e436dcf1db7b1d66ea2911 [0,1,1,0,0,0|1,0,1]=4 130 B12R1.100 O=CCNc1cc(cc(c1)I)Cl a71169475143dd7a01cd80b13b9ec625 [0,1,1,0,0,0|1,0,1]=4 131 B12R1.100 OCCNc1cc(cc(c1)Br)Cl 0cce0eb21dbf818fe97f24a7d155fe4d [0,1,1,0,0,0|1,0,1]=4 132 B12R1.100 OCCNc1cc(cc(c1)Cl)Cl 9354e656adad6c2ac281505032e51435 [0,1,1,0,0,0|1,0,1]=4 133 B12R1.100 OCCNc1cc(cc(c1)Cl)F 65dd092e83cb331513ccc34abb6a6eb0 [0,1,1,0,0,0|1,0,1]=4 134 B12R1.100 OCCNc1cc(cc(c1)I)Cl b4571f99816fd6ad868d3c066144f68d [0,1,1,0,0,0|1,0,1]=4 135 B12R1.226 C=C(Br)CNc1cccc(c1)Cl 37b9364cd45f7a75ca13c73b88a65b06 [0,1,1,0,0,0|2,0,0]=4 136 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34927e69a4522517159f6f62ef580aec [0,1,1,0,0,0|2,0,0]=4 137 B12R1.226 C=C(Cl)CNc1cccc(c1)Cl 2bcbb3bc627a1cc5c856d8a054770c01 [0,1,1,0,0,0|2,0,0]=4 138 B12R1.226 C=C(F)CNc1cccc(c1)Cl a5b9e0a420faab075effd4bd74197184 [0,1,1,0,0,0|2,0,0]=4 139 B12R1.226 CC(O)CNc1cccc(c1)Cl b0b36293e53ebea3215e5b365b1c91a1 [0,1,1,0,0,0|1,0,1]=4 140 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 8246dcd52dcd9ed0dbef7338a7f127b3 [0,1,1,0,0,0|1,0,1]=4 141 B12R1.226 C[C@H](O)CNc1cccc(c1)Cl 2370f8fa6414cdc9dd596258b1f50ab7 [0,1,1,0,0,0|1,0,1]=4 142 B12R1.226 Cc1cccc(c1)NCC(=O)O 70649742ccf1605dab9ff92fff0b0048 [0,1,1,0,0,0|2,0,0]=4 143 B12R1.226 NC(=O)CNc1cccc(c1)Cl 633449aca68c61fa826063582607add2 [0,1,1,0,0,0|1,0,1]=4 144 B12R1.226 O=C(O)CNc1cc(ccn1)Cl 4bbd91be8cd652cb7f62484596f0876c [0,1,1,0,0,0|2,0,0]=4 145 B12R1.226 O=C(O)CNc1cccc(c1)Br 9278e11a40bd0c998d6708a7d8d19cec [0,1,1,0,0,0|1,1,0]=4 146 B12R1.226 O=C(O)CNc1cccc(c1)Cl 8c61f8028006442c9d2649d1f957fd7d [0,1,1,0,0,0|1,0,0]=3 147 B12R1.226 O=C(O)CNc1cccc(c1)F b6b54d04a07f3216d0a04238f5fba3c1 [0,1,1,0,0,0|1,1,0]=4 148 B12R1.226 O=C(O)CNc1cccc(c1)I 3367bac10174c84517b534b631544e4f [0,1,1,0,0,0|1,1,0]=4 149 B12R1.226 O=C(O)CNc1cccc(c1)S fc8191f1550f855ffd0b67405c376481 [0,1,1,0,0,0|2,0,0]=4 150 B12R1.226 O=C(O)CNc1cccc(n1)Cl 861d071b89856b9cbad25c42e4f89008 [0,1,1,0,0,0|2,0,0]=4 151 B12R1.226 O=C(O)CNc1ccnc(c1)Cl dc662f786364b85b0207aae243f79383 [0,1,1,0,0,0|2,0,0]=4 152 B12R1.226 O=C(O)CNc1cncc(c1)Cl b4fc4f5b9274fcc23d6a55519eba83fd [0,1,1,0,0,0|2,0,0]=4 153 B12R1.226 O=C(O)COc1cccc(c1)Cl 4a28b0a0b2d269e23d85b0a61be6911d [0,1,1,0,0,0|2,0,0]=4 154 B12R1.374 C=CCNc1cc(ccc1Br)Cl 47be64a47eac34e9149aedc5f947fd8d [0,1,1,0,0,0|2,0,0]=4 155 B12R1.374 C=CCNc1cc(ccc1C)Cl 16b191d2fe1db858673ce6b9193c00c5 [0,1,1,0,0,0|2,0,0]=4 156 B12R1.374 C=CCNc1cc(ccc1Cl)Cl 061c247f275df2922ad553253c8af2c2 [0,1,1,0,0,0|2,0,0]=4 157 B12R1.374 C=CCNc1cc(ccc1F)Cl d3f7c0d117deb1ff9e77c05a106f991c [0,1,1,0,0,0|2,0,0]=4 158 B12R1.374 C=CCNc1cc(ccc1I)Cl a788c47aa80ad0d2c5f58968791fe4f9 [0,1,1,0,0,0|2,0,0]=4 159 B12R1.374 C=CCNc1cc(ccc1S)Cl c18941f1e6f9254831ce6af53481fefe [0,1,1,0,0,0|2,0,0]=4 160 B12R1.374 Cc1ccc(cc1NCC=O)Cl e645d1770c62856c9f0e74936c05f3e8 [0,1,1,0,0,0|1,0,1]=4 161 B12R1.374 Cc1ccc(cc1NCCO)Cl 5b9375198bbe001ee6d30984457c18c4 [0,1,1,0,0,0|1,0,1]=4 162 B12R1.374 O=CCNc1cc(ccc1Br)Cl 0a762d06846c8b6d4d6522e190f47aab [0,1,1,0,0,0|1,0,1]=4 163 B12R1.374 O=CCNc1cc(ccc1Cl)Cl a7c9487596d22b5e94b8882e45b92d4d [0,1,1,0,0,0|1,0,1]=4 164 B12R1.374 O=CCNc1cc(ccc1F)Cl 0cc80858e280c8fe9c5343905f8ec9a9 [0,1,1,0,0,0|1,0,1]=4 165 B12R1.374 O=CCNc1cc(ccc1I)Cl da2d0a480257cdb392829e53fd68dffc [0,1,1,0,0,0|1,0,1]=4 166 B12R1.374 O=CCNc1cc(ccc1S)Cl aa57b376cf5455539dc2f8ec133bce39 [0,1,1,0,0,0|1,0,1]=4 167 B12R1.374 OCCNc1cc(ccc1Br)Cl b3c1eb5e04122a984edae40a2afacd8a [0,1,1,0,0,0|1,0,1]=4 168 B12R1.374 OCCNc1cc(ccc1Cl)Cl 91758da90d43f12adf1a16f0724b9c15 [0,1,1,0,0,0|1,0,1]=4 169 B12R1.374 OCCNc1cc(ccc1F)Cl f57463277e7330772fc04bcd465caaa0 [0,1,1,0,0,0|1,0,1]=4 170 B12R1.374 OCCNc1cc(ccc1I)Cl b4d9a94accd063767d75f3b3c43ce9c7 [0,1,1,0,0,0|1,0,1]=4 171 B12R1.374 OCCNc1cc(ccc1S)Cl f2e587e20eadc6d0f950b4492bf11f79 [0,1,1,0,0,0|1,0,1]=4 172 B12R1.385 C=CCNc1ccc(c(c1)Cl)Br f4be0d5ff7809123a30269d23a21a60d [0,1,1,0,0,0|2,0,0]=4 173 B12R1.385 C=CCNc1ccc(c(c1)Cl)C 359f8ea42143c0507907f0c5c0fae4c6 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.385 C=CCNc1ccc(c(c1)Cl)Cl 3e593f7bc5ba18d267a9549849ad7b71 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.385 C=CCNc1ccc(c(c1)Cl)F 01ca50711a20fdecfdd4fe1716175b60 [0,1,1,0,0,0|2,0,0]=4 176 B12R1.385 C=CCNc1ccc(c(c1)Cl)I 4e40118d3038a3229837127ba4491895 [0,1,1,0,0,0|2,0,0]=4 177 B12R1.385 Cc1ccc(cc1Cl)NCC=O a0b1e4f6f414ad2a5ae919380ab9306f [0,1,1,0,0,0|1,0,1]=4 178 B12R1.385 Cc1ccc(cc1Cl)NCCO 717d1c2754174f6019076ed49e7f739d [0,1,1,0,0,0|1,0,1]=4 179 B12R1.385 O=CCNc1ccc(c(c1)Cl)Br 88d16239aff9f3b4babf2d2dfeb99a6b [0,1,1,0,0,0|1,0,1]=4 180 B12R1.385 O=CCNc1ccc(c(c1)Cl)Cl d74dfa84118ec90ed2af8def3aefedc6 [0,1,1,0,0,0|1,0,1]=4 181 B12R1.385 O=CCNc1ccc(c(c1)Cl)F 9adb7a056b57df15add73fc8c52846ac [0,1,1,0,0,0|1,0,1]=4 182 B12R1.385 O=CCNc1ccc(c(c1)Cl)I a8bdf2e8c4d004e63e04ff4ed3737ff3 [0,1,1,0,0,0|1,0,1]=4 183 B12R1.385 OCCNc1ccc(c(c1)Cl)Br 117b7ca85084b5ae450e6bff148ea827 [0,1,1,0,0,0|1,0,1]=4 184 B12R1.385 OCCNc1ccc(c(c1)Cl)Cl c20844c88818aa82c5bc0fc58f7943ee [0,1,1,0,0,0|1,0,1]=4 185 B12R1.385 OCCNc1ccc(c(c1)Cl)F 7931f2fcc4477f738c2a857f34689acc [0,1,1,0,0,0|1,0,1]=4 186 B12R1.385 OCCNc1ccc(c(c1)Cl)I 6b251d7418311af35a5b8e1054ab421f [0,1,1,0,0,0|1,0,1]=4 187 B12R1.268 CCNc1cc(ccc1C=O)Cl b68c1c09b523e4bf81d455fe7a6e3c34 [0,1,1,0,0,0|1,0,1]=4 188 B12R1.268 CCNc1cc(ccc1CO)Cl 83d0225df52c187ec93dad4f3f416532 [0,1,1,0,0,0|1,0,1]=4 189 B12R1.268 O=CNc1cc(ccc1CO)Cl a65cf2a14852999d2156a3bddb1cbba3 [0,1,1,0,0,0|1,0,1]=4 190 B12R1.268 O=Cc1ccc(cc1NCF)Cl 0e1ee85d69b6e830a7e04348b9cb4437 [0,1,1,0,0,0|1,0,1]=4 191 B12R1.268 O=Cc1ccc(cc1NCO)Cl e8fd2a70ee5b5a647b849b8b7b30c1cd [0,1,1,0,0,0|1,0,1]=4 192 B12R1.268 OCNc1cc(ccc1CO)Cl 99b243f38593b8c8410a2bc0bce2108d [0,1,1,0,0,0|1,0,1]=4 193 B12R1.268 OCc1ccc(cc1NCF)Cl 3abcc154250a295760c821b590ff2aed [0,1,1,0,0,0|1,0,1]=4 194 B12R1.81 C=C(Cl)CNc1c[nH]nc1OC 78019035f9e214a68c113dff22c9bc05 [0,1,1,0,0,0|1,0,1]=4 195 B14R2.467 CCNc1n[nH]c2c1ccc(c2)Br 09f770fd67b3ff95c2a02fb6032e6684 [0,2,0,0,0,0|1,1,0]=4 196 B14R2.467 CCNc1n[nH]c2c1ccc(c2)C 58fdbf88ac3aab617ee96dc9c1256cb0 [0,2,0,0,0,0|2,0,0]=4 197 B14R2.467 CCNc1n[nH]c2c1ccc(c2)Cl eee5cdebd1d670b84fb1798f0b209236 [0,2,0,0,0,0|1,0,0]=3 198 B14R2.467 CCNc1n[nH]c2c1ccc(c2)F a637f932911ce35406bf37aa6aac22a4 [0,2,0,0,0,0|1,1,0]=4 199 B14R2.467 CCNc1n[nH]c2c1ccc(c2)I 2b5393983c060bd3d5dfa727d7818b70 [0,2,0,0,0,0|1,1,0]=4 200 B14R2.467 CCNc1n[nH]c2c1cnc(c2)Cl d01af659b0b64cec0050f0f6707548e1 [0,2,0,0,0,0|2,0,0]=4 201 B14R2.467 CCNc1n[nH]c2c1ncc(c2)Cl e83125e6a27f36db38443397dd1d5f0a [0,2,0,0,0,0|2,0,0]=4 202 B14R2.467 CCNc1noc2c1ccc(c2)Cl 19be9ea4feec1f64bf1d12993a02b9fc [0,2,0,0,0,0|2,0,0]=4 203 B14R2.467 CCNc1nsc2c1ccc(c2)Cl 8598328c40748f813e5ed4f8c3d70326 [0,2,0,0,0,0|2,0,0]=4 204 B14R2.467 CCOc1n[nH]c2c1ccc(c2)Br e19b55357a1a137cfe54649fe2ed0103 [0,2,0,0,0,0|0,1,0]=3 205 B14R2.467 CCOc1n[nH]c2c1ccc(c2)Cl 0ffdb82cef5a14eae4829bd7f4cf3bb6 [0,2,0,0,0,0|0,0,0]=2 206 B14R2.467 CCOc1n[nH]c2c1ccc(c2)F abd35fa1aa3e4ce48bee5b1cb4267679 [0,2,0,0,0,0|0,1,0]=3 207 B14R2.467 CCOc1n[nH]c2c1cnc(c2)Cl 276b5ee03709cace206821ffbebe2846 [0,2,0,0,0,0|1,0,0]=3 208 B14R2.467 CCOc1noc2c1ccc(c2)Br 459bc151f9a70f341e4ee32b7f0b11c8 [0,2,0,0,0,0|1,1,0]=4 209 B14R2.467 Cc1ccc2c(n[nH]c2c1)NCF 6bfbdfd09a4c42525c0d097e542afb0d [0,2,0,0,0,0|2,0,0]=4 210 B14R2.467 Cc1ccc2c(n[nH]c2c1)NCO f2362f71b0b12cbed7335585181df019 [0,2,0,0,0,0|1,0,0]=3 211 B14R2.467 Cc1ccc2c(n[nH]c2n1)NCO 35fb6c1cd20f7dd40d68aaab703eb353 [0,2,0,0,0,0|2,0,0]=4 212 B14R2.467 Cc1ccc2c(noc2c1)NCO df45228f409f27dbc8682ff6a1179360 [0,2,0,0,0,0|2,0,0]=4 213 B14R2.467 FCNc1n[nH]c2c1ccc(c2)Br 716b32d5b9f1c2b3cfa3e6f9fa382823 [0,2,0,0,0,0|1,1,0]=4 214 B14R2.467 FCNc1n[nH]c2c1ccc(c2)Cl 5847457cd6d7c4771a38017daea9000b [0,2,0,0,0,0|1,0,0]=3 215 B14R2.467 FCNc1n[nH]c2c1ccc(c2)F 427ff4284752da698bb5d57c865f2c7c [0,2,0,0,0,0|1,1,0]=4 216 B14R2.467 FCNc1n[nH]c2c1ccc(c2)I b2a2050ea0a2a707ac34b2f00c57c592 [0,2,0,0,0,0|1,1,0]=4 217 B14R2.467 FCNc1n[nH]c2c1cnc(c2)Cl d59417d35cdd59387485344f7de1ea93 [0,2,0,0,0,0|2,0,0]=4 218 B14R2.467 FCNc1n[nH]c2c1ncc(c2)Cl 617980043db0eb2f985d0f0d652f4398 [0,2,0,0,0,0|2,0,0]=4 219 B14R2.467 FCNc1noc2c1ccc(c2)Cl f0ba63c204f11d1ea5df64ac94817694 [0,2,0,0,0,0|2,0,0]=4 220 B14R2.467 FCNc1nsc2c1ccc(c2)Cl a849d7bcb6f1f6a2c69f772cdcc5937a [0,2,0,0,0,0|2,0,0]=4 221 B14R2.467 FCOc1n[nH]c2c1ccc(c2)Br 6350910836a25f7164dc6346a6220f73 [0,2,0,0,0,0|0,1,0]=3 222 B14R2.467 FCOc1n[nH]c2c1ccc(c2)Cl 86f15465aeec2e18cbcd544d264dcdda [0,2,0,0,0,0|0,0,0]=2 223 B14R2.467 FCOc1n[nH]c2c1ccc(c2)F d1fc506b6defcbc815f625d421edcb08 [0,2,0,0,0,0|0,1,0]=3 224 B14R2.467 FCOc1n[nH]c2c1cnc(c2)Cl 89b46ec54be157b02c2171cf4d9eb257 [0,2,0,0,0,0|1,0,0]=3 225 B14R2.467 FCOc1noc2c1ccc(c2)Br 27ce4f2c0857652d87e14cb905da5e9c [0,2,0,0,0,0|1,1,0]=4 226 B14R2.467 O=CNc1noc2c1ccc(c2)Cl d6bc3955ce5965a672866d277b7c2015 [0,2,0,0,0,0|1,0,1]=4 227 B14R2.467 O=CNc1nsc2c1ccc(c2)Cl 3c85d84dff31169033fb70dfb28fe477 [0,2,0,0,0,0|1,0,1]=4 228 B14R2.467 OCNc1c[nH]c2c1ccc(c2)Br e75faaeba195be73e306bc3bfd02c1ec [0,2,0,0,0,0|1,1,0]=4 229 B14R2.467 OCNc1c[nH]c2c1ccc(n2)Cl 5746d639a01c4f38a692731a13c0d01a [0,2,0,0,0,0|2,0,0]=4 230 B14R2.467 OCNc1n[nH]c2c1ccc(c2)Br f299edd2b50397b84288d54c6437da9a [0,2,0,0,0,0|0,1,0]=3 231 B14R2.467 OCNc1n[nH]c2c1ccc(c2)Cl 69e5e52c9c22143a0fea9f13183bc718 [0,2,0,0,0,0|0,0,0]=2 232 B14R2.467 OCNc1n[nH]c2c1ccc(c2)F 1bee3bb96c270a5a43d8424081a9958f [0,2,0,0,0,0|0,1,0]=3 233 B14R2.467 OCNc1n[nH]c2c1ccc(c2)I 18397c69214d6603ce3d3b2713cab05d [0,2,0,0,0,0|0,1,0]=3 234 B14R2.467 OCNc1n[nH]c2c1cnc(c2)Cl 9697a80b9731a9372810943829149ff8 [0,2,0,0,0,0|1,0,0]=3 235 B14R2.467 OCNc1n[nH]c2c1ncc(c2)Br 43b55e9cc775580bc596c237bcfc55b1 [0,2,0,0,0,0|1,1,0]=4 236 B14R2.467 OCNc1n[nH]c2c1ncc(c2)Cl 8708099c472737d09a0641edd82def1b [0,2,0,0,0,0|1,0,0]=3 237 B14R2.467 OCNc1n[nH]c2c1ncc(c2)F 19a4e4bb158bb6edcc485d52e90902e8 [0,2,0,0,0,0|1,1,0]=4 238 B14R2.467 OCNc1noc2c1ccc(c2)Br 6ea86402a915c848cd88f30568f72758 [0,2,0,0,0,0|1,1,0]=4 239 B14R2.467 OCNc1noc2c1ccc(c2)Cl 804c54e305bce48b4191951508efd302 [0,2,0,0,0,0|1,0,0]=3 240 B14R2.467 OCNc1noc2c1ccc(c2)F 85b3955d4a8dbcd54ae2dfe1c80fb359 [0,2,0,0,0,0|1,1,0]=4 241 B14R2.467 OCNc1noc2c1ccc(c2)I 4846c2c9eca8a3993df4e650f927f423 [0,2,0,0,0,0|1,1,0]=4 242 B14R2.467 OCNc1nsc2c1ccc(c2)Br bf9e26a5a2775392fbfa3555c899cf2a [0,2,0,0,0,0|1,1,0]=4 243 B14R2.467 OCNc1nsc2c1ccc(c2)Cl 7cbe931ac129ee7485584e45e12c02d2 [0,2,0,0,0,0|1,0,0]=3 244 B14R2.6412 CCNc1ccc2c(n[nH]c2c1)Br da925548abe2999ddbf68544c88fc8cd [0,2,0,0,0,0|2,0,0]=4 245 B14R2.6412 CCNc1ccc2c(n[nH]c2c1)C f981135bc1f1ec77cf21600c8483c9cb [0,2,0,0,0,0|2,0,0]=4 246 B14R2.6412 CCNc1ccc2c(n[nH]c2c1)Cl ca5261874492ca68424fccbbb45f5462 [0,2,0,0,0,0|2,0,0]=4 247 B14R2.6412 CCNc1ccc2c(n[nH]c2c1)I 22cd1682da53b0e0861b6e6a46468602 [0,2,0,0,0,0|2,0,0]=4 248 B14R2.6412 CCOc1ccc2c(n[nH]c2c1)Br 612b6b8c3439c72225e3ebdd4f3cc1bb [0,2,0,0,0,0|2,0,0]=4 249 B14R2.6412 CCOc1ccc2c(n[nH]c2c1)C 4d5d9b1929ecfedcc6d9bbf15d327543 [0,2,0,0,0,0|2,0,0]=4 250 B14R2.6412 Cc1n[nH]c2c1ccc(c2)NCF 43df7abb09015735390e5541a38bf7c4 [0,2,0,0,0,0|1,1,0]=4 251 B14R2.6412 Cc1n[nH]c2c1ccc(c2)NCO 75100d549e433c7ef4417557c47c44f0 [0,2,0,0,0,0|2,0,0]=4 252 B14R2.6412 Cc1n[nH]c2c1ccc(c2)OCF f027987bbc7f0b6e801dff61b9e86668 [0,2,0,0,0,0|1,1,0]=4 253 B14R2.6412 FCNc1ccc2c(n[nH]c2c1)Br ad8ac467bb86c9b1347d82aab944784a [0,2,0,0,0,0|1,1,0]=4 254 B14R2.6412 FCNc1ccc2c(n[nH]c2c1)Cl b8731ff7b9403a5f452b8aa831e89d11 [0,2,0,0,0,0|1,1,0]=4 255 B14R2.6412 FCNc1ccc2c(n[nH]c2c1)I ec2503f409ecd18ee777c166e7cb4f0b [0,2,0,0,0,0|1,1,0]=4 256 B14R2.6412 FCOc1ccc2c(n[nH]c2c1)Br b4507459d4c59d331e4ce293525d6ed6 [0,2,0,0,0,0|1,1,0]=4 257 B14R2.6412 OCNc1ccc2c(n[nH]c2c1)Br 14a3ffa757b4f8b81e6e3af3cf194d4e [0,2,0,0,0,0|2,0,0]=4 258 B14R2.6412 OCNc1ccc2c(n[nH]c2c1)Cl 1177e4ad72795ae9042f924b3e9a2bc5 [0,2,0,0,0,0|2,0,0]=4 259 B14R2.6412 OCNc1ccc2c(n[nH]c2c1)I d13a1faf28d29b2142b2e1deb6439543 [0,2,0,0,0,0|2,0,0]=4