0 B12R1.279 CC(=O)c1ccnc(c1)NCF daea32b3501725742717f32004e972b3 [0,1,0,0,0,0|2,1,0]=4 1 B12R1.279 CC(=O)c1ccnc(c1)NCO 83432951b9bad5cb20dbed0cb34fed58 [0,1,0,0,0,0|2,1,0]=4 2 B12R1.279 CCNc1cc(ccn1)C(=O)C ca873b9a9aa9c710f9954682ec0b352b [0,1,0,0,0,0|1,1,0]=3 3 B12R1.279 CCNc1cc(ccn1)C(=O)N 227f76550c2fa6d0667913f21496b894 [0,1,0,0,0,0|0,1,0]=2 4 B12R1.279 CCNc1cc(ccn1)C(=O)O d1db62fd870db18015ccb09c14a3238a [0,1,0,0,0,0|1,1,0]=3 5 B12R1.279 CCNc1cc(ccn1)C(C)C 5506a130cf2b09876cfad44e11f3bcf7 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.279 CCNc1cc(ccn1)C(C)O 43b19825efa1d3d6ca5f0931f5030420 [0,1,0,0,0,0|1,1,1]=4 7 B12R1.279 CCNc1cc(ccn1)C(F)F db36a214e3c8e4d6c8beb1cf15c147c2 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.279 CCNc1cc(ccn1)N(C)C 053e53c0a4eb2045d5338a850a95efec [0,1,0,0,0,0|3,0,0]=4 9 B12R1.279 CCNc1cc(ccn1)[N+](=O)[O-] 9781bf7a9d5ceea28af06ead8a58751f [0,1,0,0,0,0|2,1,0]=4 10 B12R1.279 CCNc1cc(cnn1)C(=O)O 0cee95fb50adc22caa5774960c4b9c73 [0,1,0,0,0,0|2,1,0]=4 11 B12R1.279 CCNc1cc(ncn1)C(=O)O 91f1b347615a81f82d6f276296c5fe5c [0,1,0,0,0,0|2,1,0]=4 12 B12R1.279 CCNc1cccc(c1)C(=O)C 3e2e63d35d5d484da292f2b4ea8d065c [0,1,0,0,0,0|2,1,0]=4 13 B12R1.279 CCNc1cccc(c1)C(=O)N aeed616b57d78051a6a7d43bed32fe9d [0,1,0,0,0,0|1,1,0]=3 14 B12R1.279 CCNc1cccc(c1)C(=O)O 60ed91d60ea3237fabf4a94701e08688 [0,1,0,0,0,0|2,1,0]=4 15 B12R1.279 CCNc1cccc(c1)C(=S)N 6298a3e157ba58994e6bb358f6ff8ff1 [0,1,0,0,0,0|1,0,0]=2 16 B12R1.279 CCNc1cccc(n1)C(=O)N 7170a54bcd701062b5a2be44b588440f [0,1,0,0,0,0|2,1,0]=4 17 B12R1.279 CCNc1ccnc(c1)C(=O)N 81726ae967f553517391e296d9d74749 [0,1,0,0,0,0|2,1,0]=4 18 B12R1.279 CCNc1cncc(c1)C(=O)N 1c4bcea8843586c5cbb2e75d59df9641 [0,1,0,0,0,0|2,1,0]=4 19 B12R1.279 CCNc1nccc(n1)C(=O)C 0e1251b7d483cde44e75737e3e61fe92 [0,1,0,0,0,0|2,1,0]=4 20 B12R1.279 CCNc1nccc(n1)C(=O)N 62944d1daa9b014ae4218ed148700e88 [0,1,0,0,0,0|1,1,0]=3 21 B12R1.279 CCNc1nccc(n1)C(=O)O 1280b8f3e5a1844a4572b35313320e7b [0,1,0,0,0,0|2,1,0]=4 22 B12R1.279 CCOc1cc(ccn1)C(=O)O 87ddcc80552a353a8a7320f59c904632 [0,1,0,0,0,0|1,1,0]=3 23 B12R1.279 CCOc1cc(ccn1)C(F)F a7faefc4519f35fbf7e7ecdf18c58aee [0,1,0,0,0,0|2,0,1]=4 24 B12R1.279 CCOc1cc(ccn1)[N+](=O)[O-] 3a2e65b14848eaa9a092ad0da90b8e6b [0,1,0,0,0,0|2,1,0]=4 25 B12R1.279 CCOc1cc(ncn1)C(=O)N 2100baf80e824141c31283148708cc72 [0,1,0,0,0,0|1,1,0]=3 26 B12R1.279 CCOc1cc(ncn1)C(=O)O 51981d73b78fff6eb4f7ff89309f5765 [0,1,0,0,0,0|2,1,0]=4 27 B12R1.279 CCOc1cccc(c1)C(=O)C 318296c0ec02dfbe810a382ac505f5f3 [0,1,0,0,0,0|2,1,0]=4 28 B12R1.279 CCOc1cccc(c1)C(=O)N 78e78dd5cc1adb0e63ceab04724d2f6e [0,1,0,0,0,0|1,1,0]=3 29 B12R1.279 CCOc1cccc(c1)C(=O)O 9fe956bbd42b12e2b3cab7694f3d9e64 [0,1,0,0,0,0|2,1,0]=4 30 B12R1.279 CCOc1cccc(c1)C(=S)N a5adb2e2498c5c13de2caad530d0b899 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.279 CCOc1cccc(n1)C(=O)N 27452b9f7387544fcbf9eab46bde7937 [0,1,0,0,0,0|2,1,0]=4 32 B12R1.279 CCOc1cncc(c1)C(=O)N a62eea6a84c9cd731bc0b038f00d2d4b [0,1,0,0,0,0|2,1,0]=4 33 B12R1.279 N#CNc1cccc(c1)C(=S)N 3767019812c4cc199dcdeaa97e419d9a [0,1,0,0,0,0|2,0,1]=4 34 B12R1.279 NC(=O)c1cc(ncn1)OCF e256baf804f971aa324b6d44a88109e2 [0,1,0,0,0,0|2,1,0]=4 35 B12R1.279 NC(=O)c1cccc(c1)NCF a95948e28e6b4cc5b7908017747eaceb [0,1,0,0,0,0|2,1,0]=4 36 B12R1.279 NC(=O)c1cccc(c1)NCO 79cf549b271ce4e9bdab4487fd16f73a [0,1,0,0,0,0|2,1,0]=4 37 B12R1.279 NC(=O)c1cccc(c1)OCF d84ad54af88b89eeee1e1c4d561ae2de [0,1,0,0,0,0|2,1,0]=4 38 B12R1.279 NC(=O)c1ccnc(c1)NC=O efbf69d731d0d85a42e324fee1cf8ec8 [0,1,0,0,0,0|1,1,1]=4 39 B12R1.279 NC(=O)c1ccnc(c1)NCF 32014b863283575e26ec1ea708635b3e [0,1,0,0,0,0|1,1,0]=3 40 B12R1.279 NC(=O)c1ccnc(c1)NCO 2c115e993ea8a964b616a0a1bcf78ab0 [0,1,0,0,0,0|1,1,0]=3 41 B12R1.279 NC(=O)c1ccnc(n1)NCF 4d7021c5d0c299bfdf5d88c2e929d688 [0,1,0,0,0,0|2,1,0]=4 42 B12R1.279 NC(=O)c1ccnc(n1)NCO a49d9ce4a2b815aa0f17e0870eb7b6a0 [0,1,0,0,0,0|2,1,0]=4 43 B12R1.279 NC(=S)c1cccc(c1)NC=O f5ec08267309110e4cd8117772bcfe8b [0,1,0,0,0,0|2,0,1]=4 44 B12R1.279 NC(=S)c1cccc(c1)NCF d5b7365826ad45e8b0dab45a82974fa2 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.279 NC(=S)c1cccc(c1)NCO 13c10145b112bb045f141572a1927f69 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.279 NC(=S)c1cccc(c1)OCF 1640965ea1c7a317546b5cfe94e02159 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.279 O=C(O)c1ccnc(c1)NCF add0fe156b2f2718959166e1078237b1 [0,1,0,0,0,0|2,1,0]=4 48 B12R1.279 O=C(O)c1ccnc(c1)NCO d3fb8830adfa3ddaf36330ee0b684bb7 [0,1,0,0,0,0|2,1,0]=4 49 B12R1.279 O=C(O)c1ccnc(c1)OCF 9ceee52d352da886051035c4b9a53380 [0,1,0,0,0,0|2,1,0]=4 50 B12R1.438 CC(=O)Nc1ccnc(c1)CO 90fc31981b0293b50b49f6f427f89777 [0,0,0,0,0,1|2,1,0]=4 51 B12R1.438 CCc1cc(ccn1)NC(=O)C 605fec427da88aad8757194b01e47559 [0,0,0,0,0,1|1,1,0]=3 52 B12R1.438 CCc1cc(ccn1)NC(C)C 62e49912f65f834db819a123240056a5 [0,0,0,0,0,1|2,0,1]=4 53 B12R1.438 CCc1cc(ncn1)NC(=O)C 9ac305151a12aa000aaec67c29f5df15 [0,0,0,0,0,1|2,1,0]=4 54 B12R1.438 CCc1cccc(c1)NC(=O)C 15904dc358d5d298ca31f04f6e829788 [0,0,0,0,0,1|2,1,0]=4 55 B12R1.438 COc1cc(ccn1)NC(=O)C 04c5c7138beae8cce96ca6f2766375a7 [0,0,0,0,0,1|2,1,0]=4 56 B12R1.438 CSc1cc(ccn1)NC(=O)C 09f55a8076979ac91556d00325a6e616 [0,0,0,0,0,1|2,1,0]=4 57 B11R1.189 C#Cc1ccnc(c1)NCC dd773b1940f4e3fbf0d6c1f08dd4e7f4 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.189 C=Cc1cccc(c1)NCC 9f4512008c7efb1c7253c34fdfc2f2e7 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.189 C=Cc1cccc(c1)OCC 0c905d2d0400afe17575003294fbe863 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.189 CCNc1cc(ccn1)C#N f411b2e4d22d468969042214508f26b4 [1,1,0,0,0,0|0,0,2]=4 61 B11R1.189 CCNc1cc(ccn1)CC 70f0fbd3328ca2c2e2051e67ce9b353e [1,1,0,0,0,0|1,0,1]=4 62 B11R1.189 CCNc1cc(ccn1)CCl 764e28a88588d3d905f34300f6062576 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.189 CCNc1cc(ccn1)CO 0b71c3d7f0df0f0998901d913f2f4a97 [1,1,0,0,0,0|0,1,1]=4 64 B11R1.189 CCNc1cc(ccn1)OC 15bc9daefc717c42a56e7df493bd1821 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.189 CCNc1ccnc(c1)CC f9371789a2acd7eba3f19487f4b3b641 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.189 CCOc1cc(ccn1)C#N 2c26866710534fba33602106907f7a3e [1,1,0,0,0,0|0,0,2]=4 67 B11R1.189 CCOc1cc(ccn1)C=O 7da8db837d81486d5a54259cb23dddd7 [1,1,0,0,0,0|0,1,0]=3 68 B11R1.189 CCOc1cc(ccn1)OC a5f4dc27530473f4f4de8b489d414f85 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.189 CCOc1cc(ncn1)C=O e05e460188352b21438d7c71123391c7 [1,1,0,0,0,0|1,1,0]=4 70 B11R1.189 CCOc1cccc(c1)C=O dc5abb90be9ad07b6da20b75593f9b87 [1,1,0,0,0,0|1,1,0]=4 71 B11R1.189 CCc1cc(ccn1)NC=O c4f70e1ffe6295df7e95a403a627babe [1,1,0,0,0,0|0,1,0]=3 72 B11R1.189 CCc1cc(ccn1)NCF b2758ab2503016e74b1729e80d798d49 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.189 CCc1cc(ccn1)NCO 9895f8b0c28b4f7244250cc314052c7b [1,1,0,0,0,0|0,1,1]=4 74 B11R1.189 CCc1cc(ncn1)NC=O bcddb93d3995428253fe2a0e97449c9a [1,1,0,0,0,0|1,1,0]=4 75 B11R1.189 CCc1cccc(c1)NC=O 9094dc259bbd7e82923db82a7803ad8f [1,1,0,0,0,0|1,1,0]=4 76 B11R1.189 COc1cc(ccn1)NC=O 7bea982c56e833d137d4718ca8d8c5e6 [1,1,0,0,0,0|1,1,0]=4 77 B11R1.189 CSc1cc(ccn1)NC=O f6db45bb3ed2e7bc3da3652a1a743ac0 [1,1,0,0,0,0|1,1,0]=4 78 B11R1.189 O=CNc1ccnc(c1)CO f9f4090442c2564ef9d3aa87fc6b5423 [1,1,0,0,0,0|1,1,0]=4 79 B11R1.189 O=Cc1ccnc(c1)OCF b2cd9c36840da1e1b813364f103b3004 [1,1,0,0,0,0|1,1,0]=4 80 B11R1.124 CCNc1ccc(s1)C(=O)N 3a191d74a1e9593386c2ee7170259940 [0,1,0,0,1,0|1,1,0]=4 81 B11R1.124 CCNc1ncc([nH]1)C(=O)N d4f872f1ec82bd81fa3167ed86add9d7 [0,1,0,0,1,0|1,1,0]=4 82 B11R1.124 CCNc1ncc(s1)C(=O)N 28201d5865c552885ee8c7f8a1baceb2 [0,1,0,0,1,0|1,1,0]=4 83 B11R1.124 CCOc1cc(on1)C(=O)N 2394e4ba6c0eca44727f9a90568ba132 [0,1,0,0,1,0|1,1,0]=4 84 B11R1.193 CCNc1n[nH]cc1C(=S)N ea91dd83fd41882cea7eac5b9959dddf [0,1,0,0,1,0|1,0,0]=3 85 B11R1.193 CCNc1sccc1C(=O)N affc9662a86cb3a16592e2b50a96a06a [0,1,0,0,1,0|1,1,0]=4 86 B11R1.193 CCNc1sccc1C(=S)N 98143c165a30882650ec72dcfd1df107 [0,1,0,0,1,0|1,0,0]=3 87 B11R1.193 CCOc1nc[nH]c1C(=O)N 4f5f282c16aa660f5090997345334e4b [0,1,0,0,1,0|1,1,0]=4 88 B11R1.193 NC(=S)c1c[nH]nc1NCF 4b6971794a7468a7652f8ec0ff880217 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.193 NC(=S)c1c[nH]nc1NCO f972d430c760c99a5769baff3788b7c4 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.193 NC(=S)c1ccsc1NCF 462b9dc2ca55184835e42b0cb6c80e5c [0,1,0,0,1,0|2,0,0]=4 91 B11R1.193 NC(=S)c1ccsc1NCO 4da5f5a6f61abfd6cfeedb7f15f9276c [0,1,0,0,1,0|2,0,0]=4 92 B13R1.81 C#CC(=O)Nc1ccnc(c1)CC 7c77dffaaf939be3cebade3f5be6cf3a [0,1,0,0,0,1|1,1,0]=4 93 B13R1.81 C=CC(=O)Nc1ccnc(c1)CC f326174adc8f67072bbb617af1d5b652 [0,1,0,0,0,1|1,1,0]=4 94 B13R1.81 CCC(=O)Nc1ccnc(c1)CC f9a5aafbfdab91df106ef2cd3f120a1b [0,1,0,0,0,1|1,1,0]=4 95 B13R1.81 CCc1cc(ccn1)NC(=O)C=O 04ccfa6363b6ac1098dfc10a5e536e5d [0,1,0,0,0,1|1,1,0]=4 96 B13R1.81 CCc1cc(ccn1)NC(=O)CF c0d8e6391617054d79ceabcb8db70b5c [0,1,0,0,0,1|1,1,0]=4 97 B13R1.81 CCc1cc(ccn1)NC(=O)CO 5f5d9a119a4ab87da7fdc4373ce96394 [0,1,0,0,0,1|1,1,0]=4 98 B13R1.373 CC(=O)Nc1ccnc(c1)CCO b4e2a5ad95b589700e2165ee0acb842d [0,1,0,0,0,1|1,1,0]=4 99 B13R1.373 CCNc1cc(ccn1)CC(=O)O 5dc93344b450303cc86ffd4b1ae56594 [0,1,0,0,0,1|1,1,0]=4 100 B13R1.373 CCNc1cc(ccn1)NC(=O)C 35b485bab3462c610b07cb5af06782d8 [0,1,0,0,0,1|1,1,0]=4 101 B13R1.373 CCNc1cccc(c1)CC(=O)N 611e128ecc000377993056d83b87ca06 [0,1,0,0,0,1|1,1,0]=4 102 B13R1.373 CCNc1cccc(c1)NC(=O)N 6a168bd96c228e0df7b04a8277ed1746 [0,1,0,0,0,1|1,1,0]=4 103 B13R1.373 CCOc1cc(ccn1)NC(=O)C 623532536c2641a6a937ef2576844e4f [0,1,0,0,0,1|1,1,0]=4 104 B13R1.373 CCOc1cccc(c1)CC(=O)N c422d510ee6a38d0f8f5e74f15d6c89f [0,1,0,0,0,1|1,1,0]=4 105 B13R1.373 CCOc1cccc(c1)NC(=O)N 505e589894193d4a7faed5c3ca98415c [0,1,0,0,0,1|1,1,0]=4 106 B13R1.373 CCOc1cccc(c1)NC(=S)N e2d2ed1750a5aed04883e995ecdb1722 [0,1,0,0,0,1|1,0,0]=3 107 B13R1.373 NC(=S)Nc1cccc(c1)OCF 1ef7afbbc2f8eddd9b37c58940346962 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.587 CC(=O)Nc1ccnc(c1)C(C)C 227d27b90f9d2070b135f0bb60b8cb6d [0,1,0,0,0,1|1,1,0]=4 109 B13R1.31 CCNc1cc(cc(c1)C(=O)N)Br 533ceeca9f7435f1c331e9dc72205b73 [0,2,0,0,0,0|1,1,0]=4 110 B13R1.31 CCNc1cc(cc(c1)C(=O)N)C 0f3949e7f7fdf9d6126fceb07671c09b [0,2,0,0,0,0|1,1,0]=4 111 B13R1.31 CCNc1cc(cc(c1)C(=O)N)F 14a56934df4126a7a97a62273275f651 [0,2,0,0,0,0|1,1,0]=4 112 B13R1.31 CCNc1cc(cc(n1)Br)C(=O)O d0f3cbf4bc6ed1c9af1a84308b775d2b [0,2,0,0,0,0|1,1,0]=4 113 B13R1.31 CCNc1cc(cc(n1)C)C(=O)O 53e5897a88121b5554b687fa32595ad7 [0,2,0,0,0,0|1,1,0]=4 114 B13R1.31 CCNc1cc(cc(n1)Cl)C(=O)O 8d8fc994fbf87f7b83f228e7a850a6bb [0,2,0,0,0,0|1,1,0]=4 115 B13R1.31 CCNc1cc(nc(n1)Cl)C(=O)N acfa826690e5fc92e1da7ae3b88b11bb [0,2,0,0,0,0|1,1,0]=4 116 B13R1.31 CCOc1cc(cc(c1)C(=O)N)Br c8c376ffcc16d8a44ac8c8ed84b0bf03 [0,2,0,0,0,0|1,1,0]=4 117 B13R1.31 CCOc1cc(cc(c1)C(=O)N)F 1aaa4e125e6850e296a7129479836205 [0,2,0,0,0,0|1,1,0]=4 118 B13R1.31 CCOc1cc(cc(n1)C)C(=O)O b106e0b9c41273a8ab540a91c417a458 [0,2,0,0,0,0|1,1,0]=4 119 B13R1.31 CCOc1cc(cc(n1)Cl)C(=O)O d44b47c332830745ae93890289ee6c15 [0,2,0,0,0,0|1,1,0]=4 120 B13R1.354 CCNc1cc(ccc1Br)C(=O)N c6e2359e67e4f760aa302c12dd6b39c7 [0,2,0,0,0,0|1,1,0]=4 121 B13R1.354 CCNc1cc(ccc1C)C(=O)N 56bfb71c4d30ec87b53d6552c441409a [0,2,0,0,0,0|1,1,0]=4 122 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 19f67c1e3f4944e5cd7c438995d39aec [0,2,0,0,0,0|1,1,0]=4 123 B13R1.354 CCNc1cc(ccc1F)C(=O)N 8af7f19bea4684b6ad637f475ae8c5b6 [0,2,0,0,0,0|1,1,0]=4 124 B13R1.354 CCOc1cc(ccc1Br)C(=O)N c98989508098dfd56eb2f7a310a04abe [0,2,0,0,0,0|1,1,0]=4 125 B13R1.354 CCOc1cc(ccc1Cl)C(=O)N a4bdf82bdd4f1935ef266d061222afdd [0,2,0,0,0,0|1,1,0]=4 126 B13R1.354 CCOc1cc(ccc1F)C(=O)N bc982b9a3b3ee4a99a1423107073fb3b [0,2,0,0,0,0|1,1,0]=4 127 B13R1.354 CCOc1cc(ccc1I)C(=O)N 75e390c3dc30ce9d980555ffd709d912 [0,2,0,0,0,0|1,1,0]=4 128 B13R1.543 CCN(C)c1cc(ccn1)C(=O)C b2e275ffcbdfb274dc7983c659244564 [0,2,0,0,0,0|1,1,0]=4 129 B13R1.543 CCN(C)c1cc(ccn1)C(=O)O a9b86091c1d59846573ec59e7f3ec9a1 [0,2,0,0,0,0|1,1,0]=4 130 B13R1.543 CCN(C)c1cc(ccn1)C(=S)N ad1bc507117c32dd502c46ae95ed0f26 [0,2,0,0,0,0|0,0,0]=2 131 B13R1.543 CCN(C)c1cccc(c1)C(=S)N a8b0bd4ffe0714995e683e8beddc9b8c [0,2,0,0,0,0|1,0,0]=3 132 B13R1.374 CCNc1cc(ccn1)C(=O)NC a16321190d1ddb4473a8a17763630517 [0,2,0,0,0,0|0,1,0]=3 133 B13R1.374 CCNc1cc(ccn1)C(=O)OC 2ba41f65b0c402eb88f51962b9bdcd35 [0,2,0,0,0,0|1,1,0]=4 134 B13R1.374 CCNc1cccc(c1)C(=O)NC 98f97a8565e8a3c46fcbdeef2166f747 [0,2,0,0,0,0|1,1,0]=4 135 B13R1.374 CCOc1cccc(c1)C(=O)NC 5fd0b32c795cc61fc0104828b94e84af [0,2,0,0,0,0|1,1,0]=4 136 B13R1.374 CNC(=O)c1ccnc(c1)NCF 7816b584628038d91924b1843456a1ca [0,2,0,0,0,0|1,1,0]=4 137 B13R1.374 CNC(=O)c1ccnc(c1)NCO 49e058a56af4a8227a3c8728712b4225 [0,2,0,0,0,0|1,1,0]=4 138 B13R1.377 CCNc1cccc(c1C)C(=O)N 29350b55ebcbd38fb145429ae0a22df8 [0,2,0,0,0,0|1,1,0]=4 139 B13R1.377 CCNc1cccc(c1F)C(=O)N b9880186bc2deee7feb55aeaefea8699 [0,2,0,0,0,0|1,1,0]=4 140 B13R1.377 CCNc1nccc(c1F)C(=O)O d7fa4ab4f69c1693706dc69e9a5e0793 [0,2,0,0,0,0|1,1,0]=4 141 B13R1.377 CCOc1cccc(c1Br)C(=O)N 7b892fc1263f6ce25489b48c8b33bfa5 [0,2,0,0,0,0|1,1,0]=4 142 B13R1.377 CCOc1cccc(c1F)C(=O)N cd35af1574d49a96ebdb7088026eac32 [0,2,0,0,0,0|1,1,0]=4 143 B13R1.387 CCNc1cc(c(cn1)Br)C(=O)O ddb198de79b56449920a73babdbebc9a [0,2,0,0,0,0|1,1,0]=4 144 B13R1.387 CCNc1cc(c(cn1)Cl)C(=O)N e41f87742a630881324889456d971f35 [0,2,0,0,0,0|0,1,0]=3 145 B13R1.387 CCNc1cc(c(cn1)Cl)C(=O)O 4996cb512c04d3f717327e6940c833e4 [0,2,0,0,0,0|1,1,0]=4 146 B13R1.387 CCNc1cc(c(cn1)F)C(=O)O bd37516d33f851b896cc8889f802421e [0,2,0,0,0,0|1,1,0]=4 147 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Br 6bf4c948e8cd98f8146fa57f02abd57e [0,2,0,0,0,0|1,1,0]=4 148 B13R1.387 CCNc1ccc(c(c1)C(=O)N)C 4d5af210b607df6090e2d08352655e4c [0,2,0,0,0,0|1,1,0]=4 149 B13R1.387 CCNc1ccc(c(c1)C(=O)N)Cl 4fb2c7f39b72ad126d92bff834be37f3 [0,2,0,0,0,0|1,1,0]=4 150 B13R1.387 CCNc1ccc(c(c1)C(=O)N)F 0fa5eff5a83d7ce72fe8b9cdf3893fbe [0,2,0,0,0,0|1,1,0]=4 151 B13R1.387 CCNc1ncc(c(n1)C(=O)N)Br 6db2554af561845c4881106049e09f3b [0,2,0,0,0,0|1,1,0]=4 152 B13R1.387 CCOc1cc(c(cn1)Br)C(=O)O b7ba2e08e269b6ab8d5d8d309389a787 [0,2,0,0,0,0|1,1,0]=4 153 B13R1.387 CCOc1ccc(c(c1)C(=O)N)Cl 8ff9756d5263d9baffcdfc8e697233e2 [0,2,0,0,0,0|1,1,0]=4 154 B13R1.387 CCOc1ccc(c(c1)C(=O)N)F 1c4825fd3ffcebb724d216c20631c92f [0,2,0,0,0,0|1,1,0]=4 155 B13R1.387 NC(=O)c1cc(ncc1Cl)NCF f0599309caca49fd1f8780078e7167fb [0,2,0,0,0,0|1,1,0]=4 156 B13R1.387 NC(=O)c1cc(ncc1Cl)NCO 4971d44550675c6d4ea1abcf92352a83 [0,2,0,0,0,0|1,1,0]=4 157 B13R1.568 C#CCNc1cc(ccn1)C(=O)N 97aadf2b64d5ef8cff97673a3ccb4798 [0,2,0,0,0,0|0,1,1]=4 158 B13R1.568 C#CCNc1cccc(c1)C(=S)N 9c0a224d4f073899aa4d2c2a781972a4 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.568 C#CCOc1cccc(c1)C(=S)N a2646b7b45eda2cf8fce3a18724ae45f [0,2,0,0,0,0|1,0,1]=4 160 B13R1.568 C=CCNc1cc(ccn1)C(=O)N 7e107898f79f10a31ff82b0674860436 [0,2,0,0,0,0|0,1,1]=4 161 B13R1.568 C=CCNc1cccc(c1)C(=S)N 31c0a30b02e7f2c6913f80e0578f1a79 [0,2,0,0,0,0|1,0,1]=4 162 B13R1.568 C=CCOc1cccc(c1)C(=S)N c4f5009ad3f6eb287d8b0742d009ce34 [0,2,0,0,0,0|1,0,1]=4 163 B13R1.568 CC(=O)c1ccnc(c1)COCF bf97a69e68f5a9eec3460f97b9197497 [0,2,0,0,0,0|1,1,0]=4 164 B13R1.568 CC(=O)c1ccnc(c1)NCCBr 1befa55ff9253b866f733bdc64d21d9f [0,2,0,0,0,0|1,1,0]=4 165 B13R1.568 CC(=O)c1ccnc(c1)NCCF c5314c17596c06581c9e822f9af15d8d [0,2,0,0,0,0|1,1,0]=4 166 B13R1.568 CC(=O)c1ccnc(c1)NCCI 93c8b2abc0318b8af732b430564a0bea [0,2,0,0,0,0|1,1,0]=4 167 B13R1.568 CC(=O)c1ccnc(c1)NCCO 5662f7a5cf00f84279712292b01db54a [0,2,0,0,0,0|1,1,0]=4 168 B13R1.568 CC(=O)c1ccnc(c1)NCCS 75c04a98f1acd9de1d31b58ec4f8d7d8 [0,2,0,0,0,0|1,1,0]=4 169 B13R1.568 CCCNc1cc(ccn1)C(=O)C b3bc0390b39b446174e47da13e3cafaf [0,2,0,0,0,0|1,1,0]=4 170 B13R1.568 CCCNc1cc(ccn1)C(=O)N beb882fbc8ebbe23319fd33fead6c205 [0,2,0,0,0,0|0,1,0]=3 171 B13R1.568 CCCNc1cc(ccn1)C(=O)O fccd0a13ecb570e2947de03033cd3e47 [0,2,0,0,0,0|1,1,0]=4 172 B13R1.568 CCCNc1cc(ccn1)C(=S)N a6654f2e4e7098e54b998298d0b091ac [0,2,0,0,0,0|0,0,0]=2 173 B13R1.568 CCCNc1cccc(c1)C(=O)N 2a0936b96dffc0f0dc1c38f9d2d2ecbd [0,2,0,0,0,0|1,1,0]=4 174 B13R1.568 CCCNc1cccc(c1)C(=S)N d2bbdc79da04af795446b55a683f4f95 [0,2,0,0,0,0|1,0,0]=3 175 B13R1.568 CCCNc1nccc(n1)C(=O)N 4d5c415c6b5ff039ba55257cae6e254d [0,2,0,0,0,0|1,1,0]=4 176 B13R1.568 CCCOc1cc(ccn1)C(=O)O a8e9b00b3d7b3e23008e3c3b2dd2ee0c [0,2,0,0,0,0|1,1,0]=4 177 B13R1.568 CCCOc1cc(ncn1)C(=O)N 043eab8b5112be6da90a9d825d2be11f [0,2,0,0,0,0|1,1,0]=4 178 B13R1.568 CCCOc1cccc(c1)C(=O)N 3f98a6d7a91f228301f6ecff32b5c140 [0,2,0,0,0,0|1,1,0]=4 179 B13R1.568 CCCOc1cccc(c1)C(=S)N 01295dc32b848c4846f7d85e9d9e7f84 [0,2,0,0,0,0|1,0,0]=3 180 B13R1.568 CCNCc1cccc(c1)C(=O)N 0ee8f380733cd74ffd5d01dd9bd8e57a [0,2,0,0,0,0|1,1,0]=4 181 B13R1.568 CCOCc1cc(ccn1)C(=O)C 246511a102a29588162e8b44e9548476 [0,2,0,0,0,0|1,1,0]=4 182 B13R1.568 CCOCc1cc(ccn1)C(=O)O cf0b73a66549474c77d68b35c81a02bf [0,2,0,0,0,0|1,1,0]=4 183 B13R1.568 CCOCc1cccc(c1)C(=O)N 48cbc3a9377a376b7fc2fab30c76856b [0,2,0,0,0,0|1,1,0]=4 184 B13R1.568 COCNc1cc(ccn1)C(=O)C c789bb3dfc8e39f77ececdb1828b596a [0,2,0,0,0,0|1,1,0]=4 185 B13R1.568 COCNc1cc(ccn1)C(=O)N 8c6c4161b1e9bdaaca402afdf70144d8 [0,2,0,0,0,0|0,1,0]=3 186 B13R1.568 COCNc1cc(ccn1)C(=O)O 1d65b3ac080849d3f77b021ae43abe98 [0,2,0,0,0,0|1,1,0]=4 187 B13R1.568 COCNc1cccc(c1)C(=O)N 25dd43b41c6382ecef4f8784cb9b7a0f [0,2,0,0,0,0|1,1,0]=4 188 B13R1.568 COCNc1cccc(c1)C(=S)N dc4821830b2648b937e93f7f8476d81c [0,2,0,0,0,0|1,0,0]=3 189 B13R1.568 COCNc1nccc(n1)C(=O)N b3d5f13ca4cde720a65fa6a0b9738de4 [0,2,0,0,0,0|1,1,0]=4 190 B13R1.568 COCOc1cc(ccn1)C(=O)O ed7b0d15671a39b03a1453360286d6a5 [0,2,0,0,0,0|1,1,0]=4 191 B13R1.568 COCOc1cc(ncn1)C(=O)N 8f9b1ef0c00eeaa87568ced4b6d47fe0 [0,2,0,0,0,0|1,1,0]=4 192 B13R1.568 COCOc1cccc(c1)C(=O)N 7b0324e81501c83257f40640b5d39c5b [0,2,0,0,0,0|1,1,0]=4 193 B13R1.568 COCOc1cccc(c1)C(=S)N 70aff3d7be8d0baca2ea1faf26ff4dc4 [0,2,0,0,0,0|1,0,0]=3 194 B13R1.568 CSCNc1cc(ccn1)C(=O)C 25394f229465f6b109485805b08d33f0 [0,2,0,0,0,0|1,1,0]=4 195 B13R1.568 CSCNc1cc(ccn1)C(=O)N 43028cc9c76abd8912f09adf86a7c351 [0,2,0,0,0,0|0,1,0]=3 196 B13R1.568 CSCNc1cc(ccn1)C(=O)O 4e4b7c9deac16b60c555713776353002 [0,2,0,0,0,0|1,1,0]=4 197 B13R1.568 CSCNc1cccc(c1)C(=O)N 037210347ad196a068bbba015105aed5 [0,2,0,0,0,0|1,1,0]=4 198 B13R1.568 CSCNc1cccc(c1)C(=S)N bb30efd2f0b5d0f6cdb280db698e3c6b [0,2,0,0,0,0|1,0,0]=3 199 B13R1.568 CSCNc1nccc(n1)C(=O)N a9dcf1f8619cdb15af8c80bbc1f21684 [0,2,0,0,0,0|1,1,0]=4 200 B13R1.568 CSCOc1cc(ccn1)C(=O)O ca642a4180f080acc0fa39d5106bd62c [0,2,0,0,0,0|1,1,0]=4 201 B13R1.568 CSCOc1cccc(c1)C(=O)N cca6b9b1f0e523d9997c09d7ce0ca2a6 [0,2,0,0,0,0|1,1,0]=4 202 B13R1.568 CSCOc1cccc(c1)C(=S)N 4cc108f03cd3073640520a2e431e2437 [0,2,0,0,0,0|1,0,0]=3 203 B13R1.568 N#CCNc1cc(ccn1)C(=O)N 5179b211c984e5dca48882485974fd80 [0,2,0,0,0,0|0,1,1]=4 204 B13R1.568 N#CCNc1cc(ccn1)C(=S)N 50cfd27270277d3f36870181fb5ad3ec [0,2,0,0,0,0|0,0,1]=3 205 B13R1.568 N#CCNc1cccc(c1)C(=S)N 6144680054313f5d1d07a838342bc3eb [0,2,0,0,0,0|1,0,1]=4 206 B13R1.568 N#CCOc1cccc(c1)C(=S)N abd90391c703062519c8a0332c8ead76 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.568 NC(=O)c1cc(ncn1)NCCO e0c6c0550f6830924653dbf123f2a37a [0,2,0,0,0,0|1,1,0]=4 208 B13R1.568 NC(=O)c1cc(ncn1)NCCS 2a7767685535ed83b6c43004bf621d99 [0,2,0,0,0,0|1,1,0]=4 209 B13R1.568 NC(=O)c1cc(ncn1)OCCS be5a2c93ecdc260ad50b727b97c5d443 [0,2,0,0,0,0|1,1,0]=4 210 B13R1.568 NC(=O)c1cccc(c1)CNCF a516a92105234e46d5f2d8407ace645d [0,2,0,0,0,0|1,1,0]=4 211 B13R1.568 NC(=O)c1cccc(c1)CNCO fa0a2162082a435d03bf824a321b88ae [0,2,0,0,0,0|1,1,0]=4 212 B13R1.568 NC(=O)c1cccc(c1)COCF 1a45705dc9fdc05959a75a59aa179df7 [0,2,0,0,0,0|1,1,0]=4 213 B13R1.568 NC(=O)c1cccc(c1)NCCBr 501a8708a60db5e556783f012a245af5 [0,2,0,0,0,0|1,1,0]=4 214 B13R1.568 NC(=O)c1cccc(c1)NCCF 55bd8ad5d14589b4a1007df04c57eb81 [0,2,0,0,0,0|1,1,0]=4 215 B13R1.568 NC(=O)c1cccc(c1)NCCO dd7f3b3927b453469e0037e4f5560799 [0,2,0,0,0,0|1,1,0]=4 216 B13R1.568 NC(=O)c1cccc(c1)NCCS 3444147e7c6b1c5e7a2dcf3b66c6abb9 [0,2,0,0,0,0|1,1,0]=4 217 B13R1.568 NC(=O)c1cccc(c1)OCCF 102cd08d837560b784f3476811163dc8 [0,2,0,0,0,0|1,1,0]=4 218 B13R1.568 NC(=O)c1cccc(c1)OCCS 73b836c380b4f597aed21488073838b9 [0,2,0,0,0,0|1,1,0]=4 219 B13R1.568 NC(=O)c1ccnc(c1)NCC=O 01c75e67bafbf6d256f6f48b75dd6d21 [0,2,0,0,0,0|0,1,1]=4 220 B13R1.568 NC(=O)c1ccnc(c1)NCCBr b9deac1774989cba19d5e1ade8bfb985 [0,2,0,0,0,0|0,1,0]=3 221 B13R1.568 NC(=O)c1ccnc(c1)NCCF 3d3214f37f14403d26ff7bc6cbfb3fdf [0,2,0,0,0,0|0,1,0]=3 222 B13R1.568 NC(=O)c1ccnc(c1)NCCI 278e0b7ff804401a74ddfafeaa7a8334 [0,2,0,0,0,0|0,1,0]=3 223 B13R1.568 NC(=O)c1ccnc(c1)NCCO eb85553603edc320e75f0283b00adb4d [0,2,0,0,0,0|0,1,0]=3 224 B13R1.568 NC(=O)c1ccnc(c1)NCCS c7d73d53522fb80b3114e51f59f45735 [0,2,0,0,0,0|0,1,0]=3 225 B13R1.568 NC(=O)c1ccnc(n1)NCCF c88104f0cf3f61c5c8746b48ee894c4a [0,2,0,0,0,0|1,1,0]=4 226 B13R1.568 NC(=O)c1ccnc(n1)NCCO 83ed107ccdf275191de49eb40b7ec426 [0,2,0,0,0,0|1,1,0]=4 227 B13R1.568 NC(=O)c1ccnc(n1)NCCS d03b14c3001470579a1a514c21e5598a [0,2,0,0,0,0|1,1,0]=4 228 B13R1.568 NC(=S)c1cccc(c1)NCC=O e1061d696789f7a2ccc9e01c02713730 [0,2,0,0,0,0|1,0,1]=4 229 B13R1.568 NC(=S)c1cccc(c1)NCCBr c4a1e9e0b5f38df00b2cbc08e5efaa1f [0,2,0,0,0,0|1,0,0]=3 230 B13R1.568 NC(=S)c1cccc(c1)NCCF 92401c37634b015bf28067f7718bc006 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.568 NC(=S)c1cccc(c1)NCCI cd54a4c9d603a6e781f7fd9e14815e0d [0,2,0,0,0,0|1,0,0]=3 232 B13R1.568 NC(=S)c1cccc(c1)NCCO 3adb4a4d596aa883717a06e76793aa77 [0,2,0,0,0,0|1,0,0]=3 233 B13R1.568 NC(=S)c1cccc(c1)NCCS 08dc552168f39518f079b95d81ff8c28 [0,2,0,0,0,0|1,0,0]=3 234 B13R1.568 NC(=S)c1cccc(c1)OCC=O 630cbdecf1a1c483e106fdc6ae313803 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.568 NC(=S)c1cccc(c1)OCCF 742df2207c896340fcf857081b7422a0 [0,2,0,0,0,0|1,0,0]=3 236 B13R1.568 NC(=S)c1cccc(c1)OCCS a2f754afdedb6eb32b331b6348a38521 [0,2,0,0,0,0|1,0,0]=3 237 B13R1.568 NC(=S)c1ccnc(c1)NCCBr f70d02f1e8ab63c073a6bb379ed6b7e8 [0,2,0,0,0,0|0,0,0]=2 238 B13R1.568 NC(=S)c1ccnc(c1)NCCF 3d8df387119dfed92042262f4bc92efc [0,2,0,0,0,0|0,0,0]=2 239 B13R1.568 NC(=S)c1ccnc(c1)NCCI 742ee8170cd20464dc9c12eb795bc609 [0,2,0,0,0,0|0,0,0]=2 240 B13R1.568 NC(=S)c1ccnc(c1)NCCO d23ef81afa32c8edda3433ae3c97c808 [0,2,0,0,0,0|0,0,0]=2 241 B13R1.568 NC(=S)c1ccnc(c1)NCCS 2e19909c7d4aa63e4b9fbf893765e91b [0,2,0,0,0,0|0,0,0]=2 242 B13R1.568 O=C(O)c1ccnc(c1)COCF e92f8e0eb8a7d98b9d128c3b81f0abe8 [0,2,0,0,0,0|1,1,0]=4 243 B13R1.568 O=C(O)c1ccnc(c1)NCCF 7e7ccaaa1af09b18e4f66cdfb3adfd56 [0,2,0,0,0,0|1,1,0]=4 244 B13R1.568 O=C(O)c1ccnc(c1)NCCO 7027abc6338acf8eb38a94a67ab4020c [0,2,0,0,0,0|1,1,0]=4 245 B13R1.568 O=C(O)c1ccnc(c1)NCCS 7c7c80e5eea63b6263caa44a4e332ab4 [0,2,0,0,0,0|1,1,0]=4 246 B13R1.568 O=C(O)c1ccnc(c1)OCCF cff7e3ab023584015d743313fb38ffe1 [0,2,0,0,0,0|1,1,0]=4 247 B13R1.568 O=C(O)c1ccnc(c1)OCCS ea3d91be474788647abbc99f1c930b23 [0,2,0,0,0,0|1,1,0]=4 248 B13R1.460 CCc1cc(ccn1)C(=O)NC#N 870ecfd9d11c808c23c5f27565a50e95 [0,2,0,0,0,0|0,1,0]=3 249 B13R1.460 CCc1cccc(c1)C(=O)NC#N c182e1cd26f9f01ed101a53bcae23e42 [0,2,0,0,0,0|1,1,0]=4 250 B13R1.460 COc1cc(ccn1)C(=O)NC#N ba031141341f7856c92f9a9a48d42c92 [0,2,0,0,0,0|1,1,0]=4 251 B13R1.460 CSc1cc(ccn1)C(=O)NC#N 649fe4a3bda86a308bf14675f6a938dd [0,2,0,0,0,0|1,1,0]=4 252 B13R1.460 N#CNC(=O)c1ccnc(c1)CO 21e95e76b0ea9e1d64a513c4e3f6f6da [0,2,0,0,0,0|1,1,0]=4 253 B11R1.17 CCCNc1ccn[nH]c1=S 16b4a6222dd66cb3964e9ab5f1f6cc95 [0,0,1,1,0,0|1,0,1]=4 254 B11R1.157 CC(=O)Nc1ccnc(c1)C 1f0a21b873e7ca6abbe56d850131c0d5 [1,0,0,0,0,1|1,1,0]=4 255 B13R1.643 C=C(Br)CNc1ccnc(c1)CC 34e0b6c3468dbdf4b4ba47655e0c4095 [0,0,0,0,0,2|2,0,0]=4 256 B13R1.643 C=C(C)CNc1ccnc(c1)CC 245668c84fb29887da8a3b1a4561a9c4 [0,0,0,0,0,2|2,0,0]=4 257 B13R1.643 C=C(Cl)CNc1ccnc(c1)CC 72b8eeaccdc0a770d9ba94145db735b0 [0,0,0,0,0,2|2,0,0]=4 258 B13R1.643 C=C(F)CNc1ccnc(c1)CC 029d6eedc4ef039c64201b6a1f5b7874 [0,0,0,0,0,2|2,0,0]=4 259 B13R1.643 CCc1cc(ccn1)NCC(=O)N cf2fac3b1e8ac63d6d0e843792053a42 [0,0,0,0,0,2|0,1,0]=3 260 B13R1.643 CCc1cc(ccn1)NCC(=O)O a3efbceb12bb3fc21d52d20358a902b7 [0,0,0,0,0,2|1,1,0]=4 261 B13R1.643 CCc1cc(ncn1)NCC(=O)N 862242edee6e80395c123594a68ced1f [0,0,0,0,0,2|1,1,0]=4 262 B13R1.643 CCc1cc(ncn1)OCC(=O)N fe606599a10af61a8f661295b97aa43b [0,0,0,0,0,2|1,1,0]=4 263 B13R1.643 CCc1cccc(c1)NCC(=O)N dbc3f8be89bcc25354a0864ae066310d [0,0,0,0,0,2|1,1,0]=4 264 B13R1.643 CCc1cccc(c1)OCC(=O)N 445571375995aafdf7d5e9dd59506438 [0,0,0,0,0,2|1,1,0]=4 265 B13R1.643 CCc1nccc(n1)NCC(=O)N 87c83f53408955273eb31cb4135788a0 [0,0,0,0,0,2|1,1,0]=4 266 B13R1.643 CCc1nccc(n1)OCC(=O)N 7ad7020019641ca2c8ad338d1f6019c9 [0,0,0,0,0,2|1,1,0]=4 267 B13R1.643 COc1cc(ccn1)NCC(=O)N 3376620d6d4d85107843ece0b24d64ca [0,0,0,0,0,2|1,1,0]=4 268 B13R1.643 COc1cc(ccn1)OCC(=O)N eab44dd716c003400a962cd6ba5b9adf [0,0,0,0,0,2|1,1,0]=4 269 B13R1.643 CSc1cc(ccn1)NCC(=O)N d1aa3953cf06eb3de7607eb42dd83da0 [0,0,0,0,0,2|1,1,0]=4 270 B13R1.643 CSc1cc(ccn1)OCC(=O)N feed47a3fedbe418cb1742121640f889 [0,0,0,0,0,2|1,1,0]=4 271 B13R1.643 NC(=O)CNc1ccnc(c1)CO c063df7dac939360ab377c6e959d11f9 [0,0,0,0,0,2|1,1,0]=4