0 B18R3.6371 Cc1sc2ccccc2c1NC3CCCC3 b757be586fc9be8588b1f2db6169e0a2 [0,0,0,0,0,0|3,0,1]=4 1 B18R3.6371 Cc1sc2ccccc2c1Nc3cc[nH]n3 d8e300070e16515e7cb6da365224f1e9 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.6371 Cc1sc2ccccc2c1Nc3ccon3 811ddc95a4c852998e6100a72491c5a7 [0,0,0,0,0,0|3,0,1]=4 3 B18R3.6371 Cc1sc2ccccc2c1Nc3cnon3 e1bee02f3780430d9483bb78bd4ae6b2 [0,0,0,0,0,0|4,0,0]=4 4 B18R3.6371 Cc1sc2ccccc2c1Nc3cocn3 c7ffad96692f246ef1bd415be63ad1d7 [0,0,0,0,0,0|3,0,1]=4 5 B18R3.6371 Cc1sc2ccccc2c1Nc3cscn3 f364222a69ee9d759f17ca5c01ad1e7a [0,0,0,0,0,0|3,0,1]=4 6 B18R3.6371 Cc1sc2ccccc2c1Nc3nnco3 37997479404dd0bbf5a101772032ac28 [0,0,0,0,0,0|3,0,1]=4 7 B18R3.6371 Cc1sc2ccccc2c1Nc3nncs3 88963c24f5591efa3ce36fafa0aae225 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.6371 Cc1sc2ccccc2c1Nc3nnns3 b61760458350730e12f6aebf06810f8d [0,0,0,0,0,0|4,0,0]=4 9 B19R3.51664 Cc1n[nH]c(n1)Nc2c(sc3c2cccc3)C 5fdf93a08b66098814490bd8106ef2af [0,1,0,0,0,0|2,0,1]=4 10 B19R3.51664 Cc1sc2ccccc2c1Nc3n[nH]c(=O)[nH]3 394c5d909d335cc3ba8eb18208b2c524 [0,1,0,0,0,0|2,0,1]=4 11 B19R3.158863 Cc1sc2ccccc2c1Nc3nncn3C 2f5ed322592fbeb716889c1eae05cd2a [0,1,0,0,0,0|2,0,1]=4 12 B19R3.158863 Cc1sc2ccccc2c1Nc3nnnn3C 28682089b75d332c21cc06f934555569 [0,1,0,0,0,0|3,0,0]=4 13 B17R2.19036 CCCNCCc1c([nH]c2c1cccc2)C 07d0eeaed6e933bd0a9cc16ce3a8dcc6 [0,0,1,0,0,0|2,0,1]=4 14 B17R2.19036 Cc1[nH]c2ccccc2c1CCNCCF 7e2c8db998ee63864780cb40a892a96b [0,0,1,0,0,0|2,0,1]=4 15 B17R2.19036 Cc1[nH]c2ccccc2c1CCNCCO bf6974e242422b57b6cdf6aa2d42a2fc [0,0,1,0,0,0|2,0,1]=4 16 B17R2.19036 Cc1[nH]c2ccccc2c1CCNCCS 0a8c95c45111e2efc7cbcd17cb790fa7 [0,0,1,0,0,0|2,0,1]=4 17 B17R3.109 Cc1[nH]c2ccccc2c1c3ncc[nH]3 2c1bb283d48776ef3f55f5c0fa1659da [0,0,0,0,1,0|1,0,2]=4 18 B17R3.109 Cc1oc2ccccc2c1c3ncc[nH]3 1be4da6a844e71d067752aabf26599da [0,0,0,0,1,0|0,1,2]=4 19 B17R3.109 Cc1sc2ccccc2c1c3c[nH]cn3 5d59e93a8b0a8479a1545aaee12cebeb [0,0,0,0,1,0|2,0,1]=4 20 B17R3.109 Cc1sc2ccccc2c1c3c[nH]nn3 7d8b569fc71f07943fe800f126c01124 [0,0,0,0,1,0|3,0,0]=4 21 B17R3.109 Cc1sc2ccccc2c1c3ccc[nH]3 384dab632b166d7112cc84dcc252aedd [0,0,0,0,1,0|1,0,2]=4 22 B17R3.109 Cc1sc2ccccc2c1c3ccn[nH]3 10c9473b69096013c6863c0fbf3aaf11 [0,0,0,0,1,0|2,0,1]=4 23 B17R3.109 Cc1sc2ccccc2c1c3ccon3 967a9779de7347c647d7c260dd4f245d [0,0,0,0,1,0|2,0,1]=4 24 B17R3.109 Cc1sc2ccccc2c1c3ccsn3 62278ed8be8c9d1904e33fabd50c6c61 [0,0,0,0,1,0|2,0,1]=4 25 B17R3.109 Cc1sc2ccccc2c1c3cnsn3 08e7141cfe4f4d5ac710661460d538d3 [0,0,0,0,1,0|3,0,0]=4 26 B17R3.109 Cc1sc2ccccc2c1c3cocn3 bfd6342838e7f23c9987638710d1d071 [0,0,0,0,1,0|2,0,1]=4 27 B17R3.109 Cc1sc2ccccc2c1c3cscn3 ed35fee9425ea747349d6e9fe38acb37 [0,0,0,0,1,0|2,0,1]=4 28 B17R3.109 Cc1sc2ccccc2c1c3csnn3 1de1852903dac32402cdfcc8fbd912cb [0,0,0,0,1,0|3,0,0]=4 29 B17R3.109 Cc1sc2ccccc2c1c3nc[nH]n3 09b006a720195358ef1acd8662322990 [0,0,0,0,1,0|1,0,2]=4 30 B17R3.109 Cc1sc2ccccc2c1c3ncc[nH]3 ed4b2d427618e23a57ad6cecb64984e7 [0,0,0,0,1,0|0,0,2]=3 31 B17R3.109 Cc1sc2ccccc2c1c3ncco3 077a4963690d1bc113578421b825cf67 [0,0,0,0,1,0|1,0,2]=4 32 B17R3.109 Cc1sc2ccccc2c1c3nccs3 4d6f0ee1ff7ebb8936fe21faca74b913 [0,0,0,0,1,0|1,0,2]=4 33 B17R3.109 Cc1sc2ccccc2c1c3ncns3 9bf6937912b33c11682471e2caba311f [0,0,0,0,1,0|2,0,1]=4 34 B17R3.109 Cc1sc2ccccc2c1c3ncsn3 4ceed01da45df47255214372f7726444 [0,0,0,0,1,0|1,0,2]=4 35 B17R3.109 Cc1sc2ccccc2c1c3nn[nH]n3 15590375cf2af41464349b5dde183ccf [0,0,0,0,1,0|2,0,1]=4 36 B17R3.109 Cc1sc2ccccc2c1c3nnco3 e35e9ada2d761a0c7da612b858cce967 [0,0,0,0,1,0|2,0,1]=4 37 B17R3.109 Cc1sc2ccccc2c1c3nncs3 79081eccd9605480c52893fd6584cac7 [0,0,0,0,1,0|2,0,1]=4 38 B17R3.109 Clc1sc2ccccc2c1c3ncc[nH]3 4e2a5bc3fbae48fd3113f1a4b3a8fd0c [0,0,0,0,1,0|1,0,2]=4 39 B17R3.4666 Cc1sc2ccccc2c1NC3CCC3 50b464a7b6a0de6355cd1e7aa5bf1e27 [0,0,0,0,1,0|2,0,1]=4 40 B19R3.8943 Cc1[nH]c2ccccc2c1NCc3ncc[nH]3 7c58b9daea29fd3f9d8f115b92076bf2 [0,0,0,0,0,1|1,0,2]=4 41 B19R3.8943 Cc1[nH]c2ccccc2c1NCc3ncn[nH]3 f8ffc4e6c3f44da430b31b1d1778de09 [0,0,0,0,0,1|2,0,1]=4 42 B19R3.8943 Cc1oc2ccccc2c1NCc3ncc[nH]3 bd5072b0773c39f17c30ee901b977f24 [0,0,0,0,0,1|0,1,2]=4 43 B19R3.8943 Cc1oc2ccccc2c1NCc3ncn[nH]3 7b3acfad2655274919618326588f22c7 [0,0,0,0,0,1|1,1,1]=4 44 B19R3.8943 Cc1oc2ccccc2c1NCc3nnn[nH]3 95f69cf4e0c7fc008ac63f8ec5518b93 [0,0,0,0,0,1|2,1,0]=4 45 B19R3.8943 Cc1sc2ccccc2c1NCC3CCCO3 110886b9180bf22ad583332674eb5e44 [0,0,0,0,0,1|2,0,1]=4 46 B19R3.8943 Cc1sc2ccccc2c1NC[C@@H]3CCCO3 ef6c45e22cce54f104eba705d67450bf [0,0,0,0,0,1|2,0,1]=4 47 B19R3.8943 Cc1sc2ccccc2c1NC[C@H]3CCCO3 6e565bc1ba6520e368de2e73291b6ac3 [0,0,0,0,0,1|2,0,1]=4 48 B19R3.8943 Cc1sc2ccccc2c1NCc3c[nH]nn3 67eba28a7e26df73a7429032451a3f8b [0,0,0,0,0,1|3,0,0]=4 49 B19R3.8943 Cc1sc2ccccc2c1NCc3ccc[nH]3 24e0ca6eb108d4eb6a323441c01df02a [0,0,0,0,0,1|1,0,2]=4 50 B19R3.8943 Cc1sc2ccccc2c1NCc3ccn[nH]3 315d0fdf78d52c2d84c26b1ea360e487 [0,0,0,0,0,1|2,0,1]=4 51 B19R3.8943 Cc1sc2ccccc2c1NCc3ccon3 61978f785c52ae8d8e7730112f7bda62 [0,0,0,0,0,1|2,0,1]=4 52 B19R3.8943 Cc1sc2ccccc2c1NCc3ccsn3 01078cfa15984b7f325aee93371d0569 [0,0,0,0,0,1|2,0,1]=4 53 B19R3.8943 Cc1sc2ccccc2c1NCc3cocn3 c4354201bdb5dba7a83b0abeeac99138 [0,0,0,0,0,1|2,0,1]=4 54 B19R3.8943 Cc1sc2ccccc2c1NCc3cscn3 b0ea0f825e8f261b1eb6c3a073be0ce4 [0,0,0,0,0,1|2,0,1]=4 55 B19R3.8943 Cc1sc2ccccc2c1NCc3ncc[nH]3 5dedeb97cdd99446e6d0c52b4dbb4e12 [0,0,0,0,0,1|0,0,2]=3 56 B19R3.8943 Cc1sc2ccccc2c1NCc3ncco3 e96a10085ccd237db8a6ee8f6dd3f382 [0,0,0,0,0,1|1,0,2]=4 57 B19R3.8943 Cc1sc2ccccc2c1NCc3ncn[nH]3 7f27cb6209915242f1320c7c28ef1723 [0,0,0,0,0,1|1,0,1]=3 58 B19R3.8943 Cc1sc2ccccc2c1NCc3nnn[nH]3 6bd43774d5ac4f5d89d9c76b40a80d8a [0,0,0,0,0,1|2,0,0]=3 59 B16R2.6335 CCNCCc1c([nH]c2c1cccc2)C 65b660f316c35e632d9d1376cdd85e73 [1,0,1,0,0,0|1,0,1]=4 60 B18R2.123266 CCCNC(=O)Cc1c(sc2c1cccc2)Cl af62ed3fbb841e68248ff0f41b5b6781 [0,1,1,0,0,0|2,0,0]=4 61 B18R2.123266 O=C(Cc1c(sc2c1cccc2)Cl)NCCBr 579903ba20d5e992fc6e4c075b47ea85 [0,1,1,0,0,0|2,0,0]=4 62 B18R2.123266 O=C(Cc1c(sc2c1cccc2)Cl)NCCF 22059a016d96e2fcafc56e4b7dc9cbb5 [0,1,1,0,0,0|2,0,0]=4 63 B18R2.123266 O=C(Cc1c(sc2c1cccc2)Cl)NCCI f82e5f411e08a9c7575b9fa0fb179e25 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.123266 O=C(Cc1c(sc2c1cccc2)Cl)NCCO c3ce163abed1f06fc38c9c00fc74ae10 [0,1,1,0,0,0|2,0,0]=4 65 B18R2.123266 O=C(Cc1c(sc2c1cccc2)Cl)NCCS c4b2539255bfbc859782771fc6bf9504 [0,1,1,0,0,0|2,0,0]=4 66 B18R2.125811 CCN(C)C(=O)Cc1c(sc2c1cccc2)Cl b15f9825a5633177da3724bacb5d91da [0,1,1,0,0,0|2,0,0]=4 67 B18R3.311 CCc1sc2ccccc2c1c3ncc[nH]3 ac918e90b1caaf1fd039435bacc0eabf [0,1,0,0,1,0|0,0,2]=4 68 B18R3.311 CSc1sc2ccccc2c1c3ncc[nH]3 b121d67c940a6d6b57cbef5fe31b706c [0,1,0,0,1,0|0,0,2]=4 69 B18R3.311 ClCc1sc2ccccc2c1c3ncc[nH]3 ba1e1b984604eac3290b5f32d3f0037b [0,1,0,0,1,0|0,0,2]=4 70 B18R3.311 OCc1sc2ccccc2c1c3ncc[nH]3 322e85933e11096293f83fef761fb624 [0,1,0,0,1,0|0,0,2]=4 71 B18R3.30529 Cc1c[nH]c(n1)c2c(sc3c2cccc3)C 1423030eb585b7d179e855f871f65601 [0,1,0,0,1,0|0,0,2]=4 72 B18R3.30529 Cc1sc2ccccc2c1c3nc(n[nH]3)N 83cffb86b07d9c6f97b087f39a7f4778 [0,1,0,0,1,0|1,0,1]=4 73 B18R3.43608 Cc1sc2ccccc2c1c3nccn3C 43574aa938b28018585b633be5e31b5f [0,1,0,0,1,0|0,0,2]=4 74 B18R3.43608 Cc1sc2ccccc2c1c3ncnn3C 9abbb181ceb1acd5eac126ebf5313607 [0,1,0,0,1,0|1,0,1]=4 75 B18R3.43608 Cc1sc2ccccc2c1c3nncn3C 79dc2184540cb5a5ca2d2791701796d4 [0,1,0,0,1,0|1,0,1]=4 76 B18R3.43608 Cc1sc2ccccc2c1c3nnnn3C ce9fb93f380352d63eeed908ff88b1c2 [0,1,0,0,1,0|2,0,0]=4 77 B20R3.12928 Cc1sc2ccccc2c1N(C)Cc3ncc[nH]3 f1d7622d54b451b62ef07afdd5dc052e [0,1,0,0,0,1|0,0,2]=4 78 B20R3.23445 CCc1sc2ccccc2c1NCc3ncc[nH]3 8e61233159fd3af015889a91f4cde612 [0,1,0,0,0,1|0,0,2]=4 79 B20R3.23445 CCc1sc2ccccc2c1NCc3ncn[nH]3 e2a1310e3cff6a6558a073e830ef96e8 [0,1,0,0,0,1|1,0,1]=4 80 B20R3.23445 CCc1sc2ccccc2c1NCc3nnn[nH]3 399f50c54aae77c761c124cbae1acd6d [0,1,0,0,0,1|2,0,0]=4 81 B20R3.23445 CSc1sc2ccccc2c1NCc3ncc[nH]3 cd54072caa6ad07b1d9f1194b04300d6 [0,1,0,0,0,1|0,0,2]=4 82 B20R3.23445 CSc1sc2ccccc2c1NCc3ncn[nH]3 2ea1ff0f2e72577207824b9d19083a1c [0,1,0,0,0,1|1,0,1]=4 83 B20R3.23445 CSc1sc2ccccc2c1NCc3nnn[nH]3 ef90fbc4800081329c841cd148bfcdf6 [0,1,0,0,0,1|2,0,0]=4 84 B20R3.23445 OCc1sc2ccccc2c1NCc3ncc[nH]3 79a55075fedf36f23ebf436a8fd754b8 [0,1,0,0,0,1|0,0,2]=4 85 B20R3.23445 OCc1sc2ccccc2c1NCc3ncn[nH]3 b290e13cbb82e776f141dea8a411da63 [0,1,0,0,0,1|1,0,1]=4 86 B20R3.23445 OCc1sc2ccccc2c1NCc3nnn[nH]3 9ed1d02e1fe91e7b7874db34bc20ba0a [0,1,0,0,0,1|2,0,0]=4 87 B20R3.261674 Cc1sc2ccccc2c1NCc3nccn3C ff6836ded75abeafce37e116e65aa25f [0,1,0,0,0,1|0,0,2]=4 88 B20R3.261674 Cc1sc2ccccc2c1NCc3ncnn3C d0e200d749597880803dac923af6c18f [0,1,0,0,0,1|1,0,1]=4 89 B16R3.8 c1ccc2c(csc2c1)c3ncc[nH]3 22701d5cf8e2140ca833ed82f90043c9 [1,0,0,0,1,0|0,0,2]=4 90 B16R3.1813 c1ccc2c(csc2c1)CN3CCC3 a27e7865921f2b79ea81c1c5b5ca2dbd [1,0,0,0,1,0|2,0,0]=4 91 B16R3.3519 Cc1sc2ccccc2c1NC3CC3 ad4a0014c0c6153d5356410dd81d82c1 [0,0,0,0,2,0|1,0,1]=4 92 B18R3.3347 C1=C(CCC1)CNc2csc3c2cccc3 7f207a8ddd4d713912ec09191342332d [1,0,0,0,0,1|2,0,0]=4 93 B18R3.3347 c1ccc2c(csc2c1)CNc3ncc[nH]3 4c4e70b9b4efc4453191c527c90967ac [1,0,0,0,0,1|0,0,2]=4 94 B18R3.3347 c1ccc2c(csc2c1)NCc3ncc[nH]3 8363506eb9d65832bc16781101fd48ee [1,0,0,0,0,1|0,0,2]=4 95 B18R3.3347 c1ccc2c(csc2c1)NCc3ncn[nH]3 1b62dbe00ca8bb7d8341676d22ab92b8 [1,0,0,0,0,1|1,0,1]=4 96 B18R3.3347 c1ccc2c(csc2c1)NCc3nnn[nH]3 e4078d861b932587d606b506bccd5f80 [1,0,0,0,0,1|2,0,0]=4 97 B18R3.3347 c1ccc2c(csc2c1)OCc3ncc[nH]3 ec22503b88b73384618e8839990e9a3c [1,0,0,0,0,1|0,0,2]=4 98 B18R3.3347 c1ccc2c(csc2c1)OCc3nnn[nH]3 aa3e0cb640e0e554a41d019114d395b4 [1,0,0,0,0,1|2,0,0]=4 99 B20R3.12920 Cc1sc2ccccc2c1NCCc3ncc[nH]3 c1d9c26a73e68d732f443aedd8d16cbd [0,0,0,0,0,2|0,0,2]=4 100 B20R3.12920 Cc1sc2ccccc2c1NCCc3nnn[nH]3 66f081ce0c055ab19339b55a11c6af28 [0,0,0,0,0,2|2,0,0]=4